A0A087XSQ7_POEFO 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 A0A087XSQ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 949 aa.

						>A0A087XSQ7_POEFO|A0A087XSQ7
MPLRLDIKRRLTARSDRVKSVDLHPTEPWMLASLYNGSVCVWNHETQTLVKTFEVCDLPVRASKFVARKNWVITGADDMQIRVFNYNTLERVHMFEAHSDYIRCIAVHPTQPYILTSSDDMLIKLWDWEKKWTCSQVFEGHTHYVMQIVINPKDNNQFASASLDRTIKVWQLGSSSPNFTLEGHEKGVNCIDYYSGGDKPYLISGADDRQVKIWDYQNKTCVQTLEGHAQNVSCVSFHPELPIIITGSEDGTVRIWHSSTYRLESTLNYGMERVWCVCGLRGSNNVALGYDEGSIIIKVGREEPAMSMDTNGKIIWAKHSEIQQANLKAMGEAEIKDGERLPLAVKDMGSCEIYPQTIQHNPNGRFVVVCGDGEYIIYTAMALRNKSFGSAQEFVWAHDSSEYAIRESNSIVKIFKNFKEKKSFKPDFGAEGIYGGFLLGVRSVNGLAFYDWENTELIRRIEIQPKHIFWSDSGELVCIATEESFFILRYMAEKIAASQENNEGVTEDGIEDAFEVLGEIQEIVKTGLWVGDCFIYTSSVNRLNYYVGGEIVTIAHLDRTMYLLGYIPKDDRLYLGDKELNIVSFSLLVSVLEYQTAVMRRDFGMADKVLPTIPKEQRTRVAHFLEKQGFKQQALAVSTDPEHRFELALQLGELKIAYQLAVEAESEQKWKQLAELAISKCQFGLAQECLHHAQDYGGLLLLATASGNATMVGKLAEGAERDGKNNVAFMTYFLQGKLDQCLELLIKTNRLPEAAFLARTYLPSQVSRVVKLWRESLAKVNQKAAESLADPTEYENLFPGLREAFAAEHYLRETCIGSSRPAKDYPLVTPNEDRNILEEAQGYEPKGTFVPFMPQTKESDESSSVPAASETPSQPKPATPEAAVHNEEEEEEEEEKEEEEKEEEEEEKLTFAQSEKEKTLDELEVDLDNMELDDIDTTDVNLDDDFLDD
					

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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	49	Very low	76.5	Confident	108 Å²	108	85.1 Å²	85.1	53%	0.532	38%	0.383	S	S	.	.				0	179.5	0	-97.9	-176	-91.5	0	0	110.1	R262 D372	M1-R262 PolarHBondContact O-NH1 3.48Å; M1-R262 PolarHBondContact O-NH2 3.4Å; M1-D372 WeakPolarHBondContact CB-O 3.35Å; M1-D372 PolarHBondContact N-O 3.29Å
2	P	53.4	Low	77.9	Confident	90 Å²	90	83.6 Å²	83.6	58%	0.584	39%	0.385	S	S	*	.			trans	-55.5	145.3	158.9	24.3	-34.8	0	0	0	110.4	R4 E264	P2-R4 PolarHBondContact O-N 3.21Å; P2-E264 WeakPolarHBondContact CA-OE2 3.2Å
3	L	65.4	Low	79.1	Confident	15 Å²	15	77.5 Å²	77.5	8%	0.079	36%	0.359	C	S	.	.			trans	-81.3	104.3	-174	-160.6	161.1	0	0	0	108.7	L5 P242 E264 D372	L3-L5 VanDerWaalsContact C-N 3.32Å; L3-L5 HydrophobicContact CD2-CD2 3.41Å; L3-L5 VanDerWaalsContact CD2-CD2 3.41Å; L3-L5 HydrophobicContact CD2-CG 3.78Å; L3-L5 PolarHBondContact O-N 3.07Å; L3-P242 HydrophobicContact CD1-CG 3.73Å; L3-E264 PolarHBondContact N-OE2 3.43Å; L3-D372 WeakPolarHBondContact CD1-OD1 3.22Å; L3-D372 WeakPolarHBondContact CG-OD1 3.4Å
4	R	66.8	Low	80.1	Confident	208 Å²	208	83.2 Å²	83.2	79%	0.785	38%	0.375	S	S	*	.			trans	-77.3	75.9	-167.6	-165.5	179.4	-176.6	-175.4	-1.3	112.7	P2 D6	P2-R4 PolarHBondContact O-N 3.21Å; R4-D6 PolarHBondContact O-N 2.98Å
5	L	76.7	Confident	81	Confident	32 Å²	32	79.9 Å²	79.9	17%	0.168	37%	0.366	C	S	.	.			trans	-68.1	122.8	174.8	-61.9	174.2	0	0	0	111.6	L3 I7 L241 I243 I255 V299	L3-L5 VanDerWaalsContact C-N 3.32Å; L3-L5 HydrophobicContact CD2-CD2 3.41Å; L3-L5 VanDerWaalsContact CD2-CD2 3.41Å; L3-L5 HydrophobicContact CD2-CG 3.78Å; L3-L5 PolarHBondContact O-N 3.07Å; L5-I7 HydrophobicContact CB-CD1 4.13Å; L5-I7 HydrophobicContact CB-CG1 3.81Å; L5-I7 PolarHBondContact O-N 3.33Å; L5-L241 HydrophobicContact CD2-CD1 4.29Å; L5-I243 HydrophobicContact CD1-CD1 4.16Å; L5-I243 HydrophobicContact CD1-CG2 4.33Å; L5-I255 HydrophobicContact CD1-CD1 4.28Å; L5-I255 HydrophobicContact CD1-CG2 3.78Å; L5-V299 HydrophobicContact CB-CG1 4.36Å; L5-V299 HydrophobicContact CD1-CG1 3.9Å; L5-V299 HydrophobicContact CD2-CG1 3.87Å; L5-V299 HydrophobicContact CG-CG1 4.26Å
6	D	81.8	Confident	81.8	Confident	68 Å²	68	80.6 Å²	80.6	36%	0.364	37%	0.373	S	S	.	.			trans	-79.4	97	165.1	-179.9	22	0	0	0	108.9	R4 K8 G300	R4-D6 PolarHBondContact O-N 2.98Å; D6-K8 WeakPolarHBondContact OD1-CE 3.49Å; D6-K8 IonicContact OD1-NZ 2.78Å; D6-K8 PolarHBondContact OD1-NZ 2.85Å; D6-K8 VanDerWaalsContact OD2-CE 3.27Å; D6-K8 WeakPolarHBondContact OD2-CE 3.45Å; D6-K8 IonicContact OD2-NZ 2.84Å; D6-K8 PolarHBondContact OD2-NZ 3.49Å; D6-G300 WeakPolarHBondContact O-CA 3.48Å; D6-G300 PolarHBondContact O-N 2.93Å
7	I	87.8	Confident	82.7	Confident	43 Å²	43	79.8 Å²	79.8	22%	0.221	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	104.8	-174.4	-56.8	171.5	0	0	0	109.1	L5 I255 L267 I297	L5-I7 HydrophobicContact CB-CD1 4.13Å; L5-I7 HydrophobicContact CB-CG1 3.81Å; L5-I7 PolarHBondContact O-N 3.33Å; I7-I255 HydrophobicContact CD1-CD1 3.64Å; I7-L267 HydrophobicContact CD1-CD1 4.47Å; I7-L267 HydrophobicContact CD1-CD2 4.14Å; I7-L267 HydrophobicContact CG2-CD1 4.29Å; I7-I297 HydrophobicContact CG2-CB 4.1Å; I7-I297 HydrophobicContact CG2-CD1 4.27Å; I7-I297 HydrophobicContact CG2-CG2 4.25Å
8	K	89.6	Confident	83.4	Confident	119 Å²	119	75.4 Å²	75.4	52%	0.517	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.1	-177	-77.6	167.7	172.3	156.5	0	110.9	D6 R10 I297 K298	D6-K8 WeakPolarHBondContact OD1-CE 3.49Å; D6-K8 IonicContact OD1-NZ 2.78Å; D6-K8 PolarHBondContact OD1-NZ 2.85Å; D6-K8 VanDerWaalsContact OD2-CE 3.27Å; D6-K8 WeakPolarHBondContact OD2-CE 3.45Å; D6-K8 IonicContact OD2-NZ 2.84Å; D6-K8 PolarHBondContact OD2-NZ 3.49Å; K8-R10 PolarHBondContact O-N 2.94Å; K8-I297 CarbonylContact O-C 3.53Å; K8-I297 WeakPolarHBondContact O-CA 3.39Å; K8-K298 PolarHBondContact N-O 2.64Å; K8-K298 PolarHBondContact O-N 3.1Å
9	R	90.1	Very high	84	Confident	159 Å²	159	73.2 Å²	73.2	60%	0.6	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	129	172.1	-68.9	-177.9	-68.7	179.6	0.5	109.2	Y269 I297	R9-Y269 HydrophobicContact CG-CE1 4.29Å; R9-I297 HydrophobicContact CG-CG2 4.39Å
10	R	88.8	Confident	84.6	Confident	89 Å²	89	70.1 Å²	70.1	34%	0.336	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-47.2	174.8	-76.3	-62	-147.4	167.6	15.3	111.7	K8 Q47 I296 K298	K8-R10 PolarHBondContact O-N 2.94Å; R10-Q47 PolarHBondContact O-NE2 3.35Å; R10-I296 HydrophobicContact CB-CB 4.19Å; R10-I296 HydrophobicContact CB-CG2 4.09Å; R10-I296 PolarHBondContact N-O 2.83Å; R10-K298 HydrophobicContact CG-CB 3.98Å
11	L	92.1	Very high	85.1	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.026	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.3	179	-178.8	65.6	0	0	0	109.6	M30 W42 H44 Q47 I295 I296	L11-M30 HydrophobicContact CD2-CE 4.1Å; L11-W42 HydrophobicContact CD2-CB 3.68Å; L11-W42 HydrophobicContact CD2-CG 4.17Å; L11-H44 HydrophobicContact CB-CB 4.03Å; L11-H44 HydrophobicContact CD2-CB 4.11Å; L11-Q47 HydrophobicContact CD1-CB 4.16Å; L11-Q47 HydrophobicContact CD1-CG 4.32Å; L11-I295 WeakPolarHBondContact O-CA 3.48Å; L11-I296 HydrophobicContact CB-CB 4.21Å; L11-I296 HydrophobicContact CB-CG1 4.23Å; L11-I296 PolarHBondContact O-N 3.44Å
12	T	93.8	Very high	87.3	Confident	67 Å²	67	62.8 Å²	62.8	41%	0.411	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	102.1	166.3	-65.2	0	0	0	0	107.1	I295	T12-I295 HydrophobicContact CG2-CD1 4.29Å; T12-I295 HydrophobicContact CG2-CG1 4.03Å
13	A	93.1	Very high	89.3	Confident	5 Å²	5	58.9 Å²	58.9	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134	179.3	0	0	0	0	0	109.4	W42 G293 S294	A13-W42 HydrophobicContact CB-CD2 4Å; A13-W42 HydrophobicContact CB-CE3 4.16Å; A13-W42 HydrophobicContact CB-CH2 3.81Å; A13-W42 HydrophobicContact CB-CZ2 3.62Å; A13-W42 HydrophobicContact CB-CZ3 4.07Å; A13-G293 WeakPolarHBondContact O-CA 3.39Å; A13-S294 PolarHBondContact N-O 2.89Å; A13-S294 PolarHBondContact O-N 3.34Å
14	R	93.4	Very high	90.6	Very high	157 Å²	157	58.3 Å²	58.3	59%	0.592	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	133.8	170.3	-80.6	-178.3	167.3	-104.1	-18.8	109.7	M271 E292	R14-M271 HydrophobicContact CG-CE 3.91Å; R14-M271 HydrophobicContact CG-SD 4.14Å; R14-E292 WeakPolarHBondContact CA-O 3.01Å; R14-E292 IonicContact CZ-OE2 3.42Å; R14-E292 VanDerWaalsContact NH1-CD 3.27Å; R14-E292 IonicContact NH1-OE1 3.5Å; R14-E292 PolarHBondContact NH1-OE1 3.47Å; R14-E292 IonicContact NH1-OE2 2.73Å; R14-E292 PolarHBondContact NH1-OE2 3.14Å; R14-E292 IonicContact NH2-OE2 3.94Å; R14-E292 PolarHBondContact NH2-OE2 3.25Å
15	S	93.1	Very high	91.7	Very high	33 Å²	33	52.2 Å²	52.2	23%	0.231	25%	0.247	C	C	.	.			trans	-157.1	-179.8	177.2	66.3	0	0	0	0	109.6	E292 G293	S15-E292 PolarHBondContact N-O 2.73Å; S15-E292 VanDerWaalsContact N-O 3.14Å; S15-E292 CarbonylContact O-C 3.59Å; S15-G293 WeakPolarHBondContact OG-CA 3.32Å
16	D	93.9	Very high	92.1	Very high	91 Å²	91	55.4 Å²	55.4	49%	0.487	27%	0.268	S	S	.	.	S	Bend	trans	-57.2	160.9	160.8	-72.2	-42.2	0	0	0	111.6	V18 N36	D16-V18 PolarHBondContact O-N 2.95Å; D16-N36 HydrophobicContact CB-CB 4.49Å; D16-N36 PolarHBondContact OD2-ND2 3.02Å
17	R	96.4	Very high	92.5	Very high	68 Å²	68	56 Å²	56	26%	0.257	27%	0.269	S	S	.	.			trans	-39.3	117.6	178	167.9	-172.8	-66.4	127.4	16.2	112.4	K19 L34 Y35 D291	R17-K19 HydrophobicContact CG-CD 3.77Å; R17-L34 CarbonylContact O-C 3.13Å; R17-Y35 HydrophobicContact CB-CG 4.47Å; R17-Y35 HydrophobicContact CG-CG 4.41Å; R17-Y35 WeakPolarHBondContact O-CB 3.26Å; R17-Y35 PolarHBondContact O-N 2.96Å; R17-D291 VanDerWaalsContact CA-O 3.23Å; R17-D291 WeakPolarHBondContact CA-O 3.33Å; R17-D291 IonicContact CZ-OD1 3.74Å; R17-D291 VanDerWaalsContact CZ-OD1 3.28Å; R17-D291 PolarHBondContact N-O 2.7Å; R17-D291 IonicContact NE-OD1 2.61Å; R17-D291 PolarHBondContact NE-OD1 3.13Å; R17-D291 IonicContact NH2-OD1 3.29Å; R17-D291 PolarHBondContact NH2-OD1 2.92Å; R17-D291 IonicContact NH2-OD2 2.96Å
18	V	96.4	Very high	92.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.7	175.6	-178	0	0	0	0	109.4	D16 S20 V21 A32 S33 L34 W275 Y290 G293	D16-V18 PolarHBondContact O-N 2.95Å; V18-S20 WeakPolarHBondContact CG1-O 3.49Å; V18-V21 HydrophobicContact CG1-CG1 3.68Å; V18-A32 HydrophobicContact CG1-CB 4.02Å; V18-A32 HydrophobicContact CG2-CB 4.46Å; V18-S33 CarbonylContact C-O 3.54Å; V18-S33 WeakPolarHBondContact CA-O 3.31Å; V18-L34 HydrophobicContact CG2-CD2 3.73Å; V18-W275 WeakPolarHBondContact O-CB 3.37Å; V18-Y290 PolarHBondContact N-O 2.72Å; V18-G293 VanDerWaalsContact CG2-C 3.48Å; V18-G293 VanDerWaalsContact CG2-O 3.25Å; V18-G293 WeakPolarHBondContact CG2-O 3.4Å
19	K	95.4	Very high	92.9	Very high	33 Å²	33	51.3 Å²	51.3	14%	0.143	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-36.2	-178	-69.1	-48.4	-49.1	164.5	0	113.9	R17 S33 Y35 R61 W275	R17-K19 HydrophobicContact CG-CD 3.77Å; K19-S33 PolarHBondContact N-O 3.12Å; K19-Y35 HydrophobicContact CD-CD2 4.15Å; K19-Y35 HydrophobicContact CG-CD2 4.15Å; K19-R61 CarbonylContact C-O 3.55Å; K19-W275 VanDerWaalsContact NZ-CG 3.3Å
20	S	94.7	Very high	93.1	Very high	12 Å²	12	43.8 Å²	43.8	8%	0.084	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152	167.1	68.6	0	0	0	0	111.2	V18 S33 R61 S63 C276	V18-S20 WeakPolarHBondContact CG1-O 3.49Å; S20-S33 PolarHBondContact N-OG 2.67Å; S20-S33 VanDerWaalsContact N-OG 3.12Å; S20-S33 PolarHBondContact O-N 2.76Å; S20-S33 WeakPolarHBondContact OG-CB 3.3Å; S20-S33 PolarHBondContact OG-OG 3.01Å; S20-R61 WeakPolarHBondContact CB-O 3.36Å; S20-S63 PolarHBondContact OG-N 3.28Å; S20-S63 PolarHBondContact OG-OG 3.44Å; S20-C276 VanDerWaalsContact C-SG 3.59Å; S20-C276 VanDerWaalsContact CA-SG 3.56Å
21	V	95.8	Very high	93.5	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.5	166	-68.2	0	0	0	0	109.9	V18 M30 L31 K64 C276 C278 A287	V18-V21 HydrophobicContact CG1-CG1 3.68Å; V21-M30 HydrophobicContact CB-SD 4.37Å; V21-M30 HydrophobicContact CG1-SD 3.9Å; V21-L31 VanDerWaalsContact CA-O 3.25Å; V21-L31 WeakPolarHBondContact CA-O 3.32Å; V21-K64 PolarHBondContact O-NZ 3.34Å; V21-K64 VanDerWaalsContact O-NZ 3.11Å; V21-C276 HydrophobicContact CG2-CB 4.38Å; V21-C278 HydrophobicContact CG2-CB 3.88Å; V21-A287 HydrophobicContact CB-CB 4.01Å; V21-A287 HydrophobicContact CG2-CB 3.84Å
22	D	95.6	Very high	93.7	Very high	21 Å²	21	39.3 Å²	39.3	11%	0.112	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	155.6	171.1	-149.8	41.2	0	0	0	110.3	M30 L31 K64 F65	D22-M30 CarbonylContact O-C 3.6Å; D22-M30 WeakPolarHBondContact O-CA 3.47Å; D22-M30 WeakPolarHBondContact O-CG 3.3Å; D22-L31 HydrophobicContact CB-CB 4.04Å; D22-L31 HydrophobicContact CB-CD2 4.29Å; D22-L31 PolarHBondContact N-O 3.25Å; D22-L31 PolarHBondContact O-N 2.61Å; D22-K64 HydrophobicContact CB-CD 4.12Å; D22-K64 WeakPolarHBondContact OD1-CD 3.48Å; D22-K64 WeakPolarHBondContact OD1-CE 3.41Å; D22-K64 IonicContact OD1-NZ 3.28Å; D22-K64 PolarHBondContact OD1-NZ 2.71Å; D22-K64 WeakPolarHBondContact OD2-CA 3.33Å; D22-K64 WeakPolarHBondContact OD2-CD 3.44Å; D22-F65 HydrophobicContact CB-CD2 4.29Å; D22-F65 PolarHBondContact OD2-N 3.16Å
23	L	94.3	Very high	93.8	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.047	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	134	-179.3	-71.4	171.2	0	0	0	109.9	M30 L280 A287 I296	L23-M30 HydrophobicContact CD2-CB 3.84Å; L23-M30 HydrophobicContact CD2-CG 3.96Å; L23-L280 HydrophobicContact CB-CB 3.97Å; L23-L280 HydrophobicContact CB-CD2 4.36Å; L23-L280 HydrophobicContact CD1-CB 3.7Å; L23-L280 HydrophobicContact CG-CB 4.48Å; L23-A287 HydrophobicContact CD1-CB 4.09Å; L23-A287 HydrophobicContact CD2-CB 4.07Å; L23-A287 HydrophobicContact CG-CB 4.02Å; L23-I296 HydrophobicContact CD2-CD1 3.85Å
24	H	93.9	Very high	94	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.014	18%	0.183	C	C	.	.			trans	-71.3	138.9	179.4	-161.9	-109.8	0	0	0	110.6	T26 E27 W29 F65 A67 Y86	H24-T26 VanDerWaalsContact C-N 3.32Å; H24-T26 PolarHBondContact CE1-OG1 3.43Å; H24-T26 VanDerWaalsContact CE1-OG1 3.28Å; H24-T26 PolarHBondContact ND1-OG1 3.02Å; H24-T26 PolarHBondContact O-N 2.97Å; H24-E27 HydrophobicContact CB-CB 4.01Å; H24-E27 VanDerWaalsContact ND1-CB 3.32Å; H24-E27 WeakPolarHBondContact ND1-CB 3.44Å; H24-E27 VanDerWaalsContact ND1-CG 3.34Å; H24-E27 WeakPolarHBondContact ND1-CG 3.49Å; H24-E27 PolarHBondContact ND1-N 3.01Å; H24-E27 VanDerWaalsContact ND1-N 3.18Å; H24-W29 HydrophobicContact CB-CB 4.06Å; H24-W29 PolarHBondContact N-O 2.87Å; H24-F65 HydrophobicContact CB-CD2 4.04Å; H24-F65 HydrophobicContact CB-CE2 3.81Å; H24-F65 HydrophobicContact CB-CZ 4.21Å; H24-F65 AromaticContact CD2-CD1 3.72Å; H24-F65 AromaticContact CD2-CD2 3.98Å; H24-F65 AromaticContact CD2-CG 3.68Å; H24-A67 VanDerWaalsContact NE2-CB 3.28Å; H24-A67 WeakPolarHBondContact NE2-CB 3.37Å; H24-Y86 PolarHBondContact CE1-OH 3.1Å; H24-Y86 AromaticContact NE2-CE1 3.79Å; H24-Y86 AromaticContact NE2-CZ 3.6Å; H24-Y86 PolarHBondContact NE2-OH 3.03Å; H24-Y86 VanDerWaalsContact NE2-OH 3.08Å
25	P	88.6	Confident	94.1	Very high	79 Å²	79	33.7 Å²	33.7	51%	0.513	17%	0.174	S	C	.	.	S	Bend	trans	-67.7	-25.9	-176.2	-24.5	35.9	0	0	0	115.5	A67	P25-A67 HydrophobicContact CG-CB 4.15Å
26	T	86.3	Confident	94.1	Very high	99 Å²	99	35.1 Å²	35.1	61%	0.607	18%	0.179	S	C	*	.	S	Bend	trans	-126.6	-18.8	-173.5	57.7	0	0	0	0	114.5	H24	H24-T26 VanDerWaalsContact C-N 3.32Å; H24-T26 PolarHBondContact CE1-OG1 3.43Å; H24-T26 VanDerWaalsContact CE1-OG1 3.28Å; H24-T26 PolarHBondContact ND1-OG1 3.02Å; H24-T26 PolarHBondContact O-N 2.97Å
27	E	89.7	Confident	94.1	Very high	82 Å²	82	30.8 Å²	30.8	38%	0.383	16%	0.157	S	C	.	.	S	Bend	trans	-103.1	151.3	-179.5	-67.5	-64.9	145.6	0	0	109.1	H24 W29	H24-E27 HydrophobicContact CB-CB 4.01Å; H24-E27 VanDerWaalsContact ND1-CB 3.32Å; H24-E27 WeakPolarHBondContact ND1-CB 3.44Å; H24-E27 VanDerWaalsContact ND1-CG 3.34Å; H24-E27 WeakPolarHBondContact ND1-CG 3.49Å; H24-E27 PolarHBondContact ND1-N 3.01Å; H24-E27 VanDerWaalsContact ND1-N 3.18Å; E27-W29 HydrophobicContact CB-CB 4.2Å; E27-W29 HydrophobicContact CB-CD2 3.74Å; E27-W29 HydrophobicContact CB-CE3 4.22Å; E27-W29 HydrophobicContact CB-CG 3.73Å; E27-W29 HydrophobicContact CG-CD2 4.12Å; E27-W29 HydrophobicContact CG-CE3 4.28Å; E27-W29 HydrophobicContact CG-CH2 4.42Å; E27-W29 HydrophobicContact CG-CZ2 4.26Å; E27-W29 HydrophobicContact CG-CZ3 4.43Å; E27-W29 PolarHBondContact O-N 3.13Å
28	P	90.9	Very high	94	Very high	29 Å²	29	28.2 Å²	28.2	19%	0.188	15%	0.149	C	C	.	.	S	Bend	trans	-73.1	42.2	173	32.5	-36.2	0	0	0	112.1	N43 H44 E45	P28-N43 CarbonylContact O-C 3.52Å; P28-N43 VanDerWaalsContact O-CA 3.29Å; P28-N43 WeakPolarHBondContact O-CA 3.42Å; P28-H44 PolarHBondContact O-CE1 3.02Å; P28-H44 PolarHBondContact O-N 3.25Å; P28-H44 PolarHBondContact O-ND1 2.87Å; P28-E45 HydrophobicContact CB-CB 4.16Å; P28-E45 HydrophobicContact CB-CG 3.73Å
29	W	94.4	Very high	94	Very high	34 Å²	34	28.2 Å²	28.2	13%	0.129	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.8	-172.5	-62.3	-3.2	0	0	0	112.9	H24 E27 V41 W42 V50 F65 Y86	H24-W29 HydrophobicContact CB-CB 4.06Å; H24-W29 PolarHBondContact N-O 2.87Å; E27-W29 HydrophobicContact CB-CB 4.2Å; E27-W29 HydrophobicContact CB-CD2 3.74Å; E27-W29 HydrophobicContact CB-CE3 4.22Å; E27-W29 HydrophobicContact CB-CG 3.73Å; E27-W29 HydrophobicContact CG-CD2 4.12Å; E27-W29 HydrophobicContact CG-CE3 4.28Å; E27-W29 HydrophobicContact CG-CH2 4.42Å; E27-W29 HydrophobicContact CG-CZ2 4.26Å; E27-W29 HydrophobicContact CG-CZ3 4.43Å; E27-W29 PolarHBondContact O-N 3.13Å; W29-V41 HydrophobicContact CB-CG1 4.03Å; W29-V41 HydrophobicContact CD2-CG1 4.04Å; W29-V41 HydrophobicContact CE3-CG1 3.97Å; W29-V41 HydrophobicContact CG-CG1 4.08Å; W29-W42 CarbonylContact C-O 3.6Å; W29-W42 VanDerWaalsContact CA-O 3.28Å; W29-W42 WeakPolarHBondContact CA-O 3.27Å; W29-V50 HydrophobicContact CZ2-CG1 4.44Å; W29-F65 HydrophobicContact CB-CZ 4.38Å; W29-Y86 HydrophobicContact CH2-CD2 4.38Å; W29-Y86 AromaticContact CZ3-CD2 3.67Å; W29-Y86 HydrophobicContact CZ3-CD2 3.67Å; W29-Y86 AromaticContact CZ3-CE2 3.9Å; W29-Y86 HydrophobicContact CZ3-CE2 3.9Å; W29-Y86 HydrophobicContact CZ3-CG 4.34Å
30	M	95.5	Very high	94	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.2	165.5	-173.7	-131.4	-72.1	0	0	110	L11 V21 D22 L23 A32 V41 W42 A287 I296	L11-M30 HydrophobicContact CD2-CE 4.1Å; V21-M30 HydrophobicContact CB-SD 4.37Å; V21-M30 HydrophobicContact CG1-SD 3.9Å; D22-M30 CarbonylContact O-C 3.6Å; D22-M30 WeakPolarHBondContact O-CA 3.47Å; D22-M30 WeakPolarHBondContact O-CG 3.3Å; L23-M30 HydrophobicContact CD2-CB 3.84Å; L23-M30 HydrophobicContact CD2-CG 3.96Å; M30-A32 HydrophobicContact SD-CB 4.16Å; M30-V41 CarbonylContact O-C 3.51Å; M30-V41 WeakPolarHBondContact O-CA 3.37Å; M30-W42 PolarHBondContact N-O 3.01Å; M30-W42 PolarHBondContact O-N 3.47Å; M30-A287 HydrophobicContact CE-CB 4.11Å; M30-A287 HydrophobicContact CG-CB 4.02Å; M30-A287 HydrophobicContact SD-CB 4.42Å; M30-I296 HydrophobicContact CB-CD1 3.98Å; M30-I296 HydrophobicContact CE-CD1 3.81Å; M30-I296 HydrophobicContact CE-CG1 3.35Å; M30-I296 HydrophobicContact CG-CD1 4.41Å
31	L	96	Very high	94	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.1	166.2	-167.2	65.6	0	0	0	109.1	V21 D22 V39 V41 S63 F65 V72	V21-L31 VanDerWaalsContact CA-O 3.25Å; V21-L31 WeakPolarHBondContact CA-O 3.32Å; D22-L31 HydrophobicContact CB-CB 4.04Å; D22-L31 HydrophobicContact CB-CD2 4.29Å; D22-L31 PolarHBondContact N-O 3.25Å; D22-L31 PolarHBondContact O-N 2.61Å; L31-V39 HydrophobicContact CD1-CG1 3.46Å; L31-V39 VanDerWaalsContact CD1-CG1 3.46Å; L31-V39 HydrophobicContact CG-CG1 4.17Å; L31-V41 HydrophobicContact CD1-CG2 3.83Å; L31-S63 WeakPolarHBondContact CD2-OG 3.4Å; L31-F65 HydrophobicContact CB-CD2 4.15Å; L31-F65 HydrophobicContact CB-CE2 3.61Å; L31-F65 HydrophobicContact CB-CZ 3.9Å; L31-F65 HydrophobicContact CD1-CZ 4.36Å; L31-V72 HydrophobicContact CD1-CG1 4.1Å; L31-V72 HydrophobicContact CD1-CG2 3.86Å; L31-V72 HydrophobicContact CD2-CG1 3.8Å; L31-V72 HydrophobicContact CD2-CG2 4.02Å
32	A	96.5	Very high	94	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	121.4	172.2	0	0	0	0	0	109.9	V18 M30 C40	V18-A32 HydrophobicContact CG1-CB 4.02Å; V18-A32 HydrophobicContact CG2-CB 4.46Å; M30-A32 HydrophobicContact SD-CB 4.16Å; A32-C40 PolarHBondContact N-O 3.35Å; A32-C40 PolarHBondContact O-N 3.19Å
33	S	96.1	Very high	93.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.1	174.3	77.2	0	0	0	0	111.1	V18 K19 S20 V60	V18-S33 CarbonylContact C-O 3.54Å; V18-S33 WeakPolarHBondContact CA-O 3.31Å; K19-S33 PolarHBondContact N-O 3.12Å; S20-S33 PolarHBondContact N-OG 2.67Å; S20-S33 VanDerWaalsContact N-OG 3.12Å; S20-S33 PolarHBondContact O-N 2.76Å; S20-S33 WeakPolarHBondContact OG-CB 3.3Å; S20-S33 PolarHBondContact OG-OG 3.01Å; S33-V60 VanDerWaalsContact CB-O 3.28Å; S33-V60 WeakPolarHBondContact CB-O 3.28Å; S33-V60 PolarHBondContact OG-O 3.38Å
34	L	96.4	Very high	93.7	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	152.7	-171.4	-54.6	-167.4	0	0	0	112.2	R17 V18 N36 G37 S38 V60	R17-L34 CarbonylContact O-C 3.13Å; V18-L34 HydrophobicContact CG2-CD2 3.73Å; L34-N36 WeakPolarHBondContact CB-OD1 3.37Å; L34-N36 PolarHBondContact O-N 2.82Å; L34-G37 PolarHBondContact O-N 3.42Å; L34-S38 WeakPolarHBondContact CB-O 3.38Å; L34-S38 PolarHBondContact N-O 3.25Å; L34-V60 PolarHBondContact O-N 2.7Å
35	Y	95.2	Very high	93.4	Very high	104 Å²	104	34.3 Å²	34.3	41%	0.408	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-16.9	176.7	-169.3	-98.7	0	0	0	113.5	R17 K19 G37 P59	R17-Y35 HydrophobicContact CB-CG 4.47Å; R17-Y35 HydrophobicContact CG-CG 4.41Å; R17-Y35 WeakPolarHBondContact O-CB 3.26Å; R17-Y35 PolarHBondContact O-N 2.96Å; K19-Y35 HydrophobicContact CD-CD2 4.15Å; K19-Y35 HydrophobicContact CG-CD2 4.15Å; Y35-G37 VanDerWaalsContact C-N 3.3Å; Y35-P59 HydrophobicContact CD1-CG 4.37Å; Y35-P59 HydrophobicContact CD2-CB 3.63Å; Y35-P59 HydrophobicContact CD2-CG 3.65Å; Y35-P59 HydrophobicContact CE1-CG 4.2Å; Y35-P59 HydrophobicContact CE2-CB 3.83Å; Y35-P59 HydrophobicContact CE2-CG 3.44Å; Y35-P59 VanDerWaalsContact CE2-CG 3.44Å; Y35-P59 HydrophobicContact CG-CB 4.21Å; Y35-P59 HydrophobicContact CG-CG 4.1Å; Y35-P59 WeakPolarHBondContact O-CA 3.39Å; Y35-P59 WeakPolarHBondContact O-CG 3.37Å
36	N	94.5	Very high	93.4	Very high	63 Å²	63	34.5 Å²	34.5	34%	0.337	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.1	173.3	67.3	6.2	0	0	0	113.4	D16 L34 S38	D16-N36 HydrophobicContact CB-CB 4.49Å; D16-N36 PolarHBondContact OD2-ND2 3.02Å; L34-N36 WeakPolarHBondContact CB-OD1 3.37Å; L34-N36 PolarHBondContact O-N 2.82Å; N36-S38 WeakPolarHBondContact OD1-CB 3.48Å; N36-S38 PolarHBondContact OD1-N 3.05Å; N36-S38 PolarHBondContact OD1-OG 3.01Å
37	G	93.7	Very high	93.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	18%	0.175	C	C	.	.	S	Bend	trans	97.6	-2.2	-179.4	0	0	0	0	0	116	L34 Y35 V55 C56 L58	L34-G37 PolarHBondContact O-N 3.42Å; Y35-G37 VanDerWaalsContact C-N 3.3Å; G37-V55 WeakPolarHBondContact O-CB 3.39Å; G37-V55 PolarHBondContact O-N 2.75Å; G37-C56 CarbonylContact C-O 3.56Å; G37-C56 VanDerWaalsContact CA-O 3.26Å; G37-C56 WeakPolarHBondContact CA-O 3.32Å; G37-L58 WeakPolarHBondContact CA-O 3.36Å
38	S	95.1	Very high	93.7	Very high	14 Å²	14	35.2 Å²	35.2	10%	0.098	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	158.6	169	-39.3	0	0	0	0	112.4	L34 N36 F53	L34-S38 WeakPolarHBondContact CB-O 3.38Å; L34-S38 PolarHBondContact N-O 3.25Å; N36-S38 WeakPolarHBondContact OD1-CB 3.48Å; N36-S38 PolarHBondContact OD1-N 3.05Å; N36-S38 PolarHBondContact OD1-OG 3.01Å; S38-F53 WeakPolarHBondContact CA-O 3.49Å
39	V	95.6	Very high	93.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.5	169.2	174.2	0	0	0	0	109.4	L31 T52 F53 V55 V60 T74	L31-V39 HydrophobicContact CD1-CG1 3.46Å; L31-V39 VanDerWaalsContact CD1-CG1 3.46Å; L31-V39 HydrophobicContact CG-CG1 4.17Å; V39-T52 WeakPolarHBondContact O-CA 3.23Å; V39-F53 HydrophobicContact CB-CE1 4.34Å; V39-F53 HydrophobicContact CB-CE2 4.02Å; V39-F53 HydrophobicContact CB-CZ 3.93Å; V39-F53 HydrophobicContact CG1-CE1 4.13Å; V39-F53 HydrophobicContact CG1-CE2 4.34Å; V39-F53 HydrophobicContact CG1-CZ 3.78Å; V39-F53 PolarHBondContact N-O 2.98Å; V39-F53 PolarHBondContact O-N 3.12Å; V39-V55 HydrophobicContact CB-CG2 4.15Å; V39-V55 HydrophobicContact CG2-CG2 3.64Å; V39-V60 HydrophobicContact CG2-CB 4.3Å; V39-V60 HydrophobicContact CG2-CG1 4.03Å; V39-V60 HydrophobicContact CG2-CG2 4.23Å; V39-T74 HydrophobicContact CG2-CG2 4.05Å
40	C	95	Very high	93.7	Very high	10 Å²	10	38.8 Å²	38.8	7%	0.068	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.7	-177	-59.9	0	0	0	0	111.1	A32 L49 T52	A32-C40 PolarHBondContact N-O 3.35Å; A32-C40 PolarHBondContact O-N 3.19Å; C40-L49 HydrophobicContact CB-CD1 4.03Å; C40-T52 PolarHBondContact SG-OG1 3.17Å; C40-T52 VanDerWaalsContact SG-OG1 3.37Å
41	V	95.6	Very high	93.6	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.3	172	-176.3	0	0	0	0	108.6	W29 M30 L31 V50 K51 F65	W29-V41 HydrophobicContact CB-CG1 4.03Å; W29-V41 HydrophobicContact CD2-CG1 4.04Å; W29-V41 HydrophobicContact CE3-CG1 3.97Å; W29-V41 HydrophobicContact CG-CG1 4.08Å; M30-V41 CarbonylContact O-C 3.51Å; M30-V41 WeakPolarHBondContact O-CA 3.37Å; L31-V41 HydrophobicContact CD1-CG2 3.83Å; V41-V50 HydrophobicContact CB-CB 4.44Å; V41-V50 HydrophobicContact CG1-CB 4.24Å; V41-V50 WeakPolarHBondContact O-CA 3.36Å; V41-V50 WeakPolarHBondContact O-CB 3.15Å; V41-V50 PolarHBondContact O-N 2.92Å; V41-K51 HydrophobicContact CB-CB 4.43Å; V41-K51 PolarHBondContact N-O 3.44Å; V41-K51 PolarHBondContact O-N 3.4Å; V41-F65 HydrophobicContact CG1-CZ 4.44Å
42	W	94.7	Very high	93.4	Very high	40 Å²	40	44.4 Å²	44.4	15%	0.152	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.1	-177.9	-67.1	90.3	0	0	0	111.4	L11 A13 W29 M30 L49	L11-W42 HydrophobicContact CD2-CB 3.68Å; L11-W42 HydrophobicContact CD2-CG 4.17Å; A13-W42 HydrophobicContact CB-CD2 4Å; A13-W42 HydrophobicContact CB-CE3 4.16Å; A13-W42 HydrophobicContact CB-CH2 3.81Å; A13-W42 HydrophobicContact CB-CZ2 3.62Å; A13-W42 HydrophobicContact CB-CZ3 4.07Å; W29-W42 CarbonylContact C-O 3.6Å; W29-W42 VanDerWaalsContact CA-O 3.28Å; W29-W42 WeakPolarHBondContact CA-O 3.27Å; M30-W42 PolarHBondContact N-O 3.01Å; M30-W42 PolarHBondContact O-N 3.47Å; W42-L49 HydrophobicContact CD2-CB 4.45Å; W42-L49 HydrophobicContact CD2-CD1 3.9Å; W42-L49 HydrophobicContact CE3-CB 3.95Å; W42-L49 HydrophobicContact CE3-CD1 4.26Å; W42-L49 HydrophobicContact CG-CD1 4.37Å; W42-L49 HydrophobicContact CH2-CB 4.09Å; W42-L49 HydrophobicContact CH2-CD1 4.27Å; W42-L49 HydrophobicContact CZ2-CD1 3.91Å; W42-L49 HydrophobicContact CZ3-CB 3.76Å; W42-L49 HydrophobicContact CZ3-CD1 4.44Å
43	N	94	Very high	93.2	Very high	23 Å²	23	45.4 Å²	45.4	12%	0.123	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	119.7	166.4	-178.6	-31	0	0	0	108.5	P28 E45 T46 Q47 T48 V50	P28-N43 CarbonylContact O-C 3.52Å; P28-N43 VanDerWaalsContact O-CA 3.29Å; P28-N43 WeakPolarHBondContact O-CA 3.42Å; N43-E45 PolarHBondContact OD1-N 2.97Å; N43-T46 VanDerWaalsContact CB-OG1 3.29Å; N43-T46 WeakPolarHBondContact CB-OG1 3.34Å; N43-T46 PolarHBondContact ND2-OG1 3.03Å; N43-T46 PolarHBondContact OD1-N 2.6Å; N43-T46 PolarHBondContact OD1-OG1 3.41Å; N43-Q47 CarbonylContact O-C 3.59Å; N43-Q47 WeakPolarHBondContact O-CA 3.36Å; N43-Q47 PolarHBondContact O-N 3.23Å; N43-T48 PolarHBondContact N-O 2.92Å; N43-T48 PolarHBondContact O-N 3.06Å; N43-V50 HydrophobicContact CB-CG2 3.63Å
44	H	89.9	Confident	93	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.037	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-0	-172.8	66.9	-106.1	0	0	0	115	L11 P28 N285 I296	L11-H44 HydrophobicContact CB-CB 4.03Å; L11-H44 HydrophobicContact CD2-CB 4.11Å; P28-H44 PolarHBondContact O-CE1 3.02Å; P28-H44 PolarHBondContact O-N 3.25Å; P28-H44 PolarHBondContact O-ND1 2.87Å; H44-N285 PolarHBondContact NE2-ND2 3.19Å; H44-I296 HydrophobicContact CB-CD1 3.38Å; H44-I296 HydrophobicContact CB-CG1 4.44Å; H44-I296 VanDerWaalsContact CG-CD1 3.45Å
45	E	87.6	Confident	92.8	Very high	124 Å²	124	53.3 Å²	53.3	58%	0.579	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-43	168.6	-67.4	-164.1	134.3	0	0	111.4	P28 N43	P28-E45 HydrophobicContact CB-CB 4.16Å; P28-E45 HydrophobicContact CB-CG 3.73Å; N43-E45 PolarHBondContact OD1-N 2.97Å
46	T	89.1	Confident	92.7	Very high	84 Å²	84	49.4 Å²	49.4	52%	0.515	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.3	174.4	60.6	0	0	0	0	113.6	N43 T48	N43-T46 VanDerWaalsContact CB-OG1 3.29Å; N43-T46 WeakPolarHBondContact CB-OG1 3.34Å; N43-T46 PolarHBondContact ND2-OG1 3.03Å; N43-T46 PolarHBondContact OD1-N 2.6Å; N43-T46 PolarHBondContact OD1-OG1 3.41Å; T46-T48 PolarHBondContact O-N 2.79Å; T46-T48 PolarHBondContact OG1-OG1 3.42Å
47	Q	90.2	Very high	92.6	Very high	125 Å²	125	54.3 Å²	54.3	58%	0.584	28%	0.284	S	S	*	.			trans	59.9	19.6	-173.9	-57.1	-178.2	-12.7	0	0	114.7	R10 L11 N43	R10-Q47 PolarHBondContact O-NE2 3.35Å; L11-Q47 HydrophobicContact CD1-CB 4.16Å; L11-Q47 HydrophobicContact CD1-CG 4.32Å; N43-Q47 CarbonylContact O-C 3.59Å; N43-Q47 WeakPolarHBondContact O-CA 3.36Å; N43-Q47 PolarHBondContact O-N 3.23Å
48	T	92.3	Very high	92.7	Very high	71 Å²	71	58.1 Å²	58.1	44%	0.436	30%	0.304	S	S	.	.			trans	-92.4	148.4	-179.6	55.7	0	0	0	0	112.6	N43 T46	N43-T48 PolarHBondContact N-O 2.92Å; N43-T48 PolarHBondContact O-N 3.06Å; T46-T48 PolarHBondContact O-N 2.79Å; T46-T48 PolarHBondContact OG1-OG1 3.42Å
49	L	92.9	Very high	92.7	Very high	82 Å²	82	58 Å²	58	43%	0.429	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	122.6	161.8	-179.1	65.2	0	0	0	107.9	C40 W42	C40-L49 HydrophobicContact CB-CD1 4.03Å; W42-L49 HydrophobicContact CD2-CB 4.45Å; W42-L49 HydrophobicContact CD2-CD1 3.9Å; W42-L49 HydrophobicContact CE3-CB 3.95Å; W42-L49 HydrophobicContact CE3-CD1 4.26Å; W42-L49 HydrophobicContact CG-CD1 4.37Å; W42-L49 HydrophobicContact CH2-CB 4.09Å; W42-L49 HydrophobicContact CH2-CD1 4.27Å; W42-L49 HydrophobicContact CZ2-CD1 3.91Å; W42-L49 HydrophobicContact CZ3-CB 3.76Å; W42-L49 HydrophobicContact CZ3-CD1 4.44Å
50	V	92.4	Very high	92.7	Very high	55 Å²	55	58 Å²	58	33%	0.333	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-54.1	-179.4	-173.4	0	0	0	0	109.6	W29 V41 N43	W29-V50 HydrophobicContact CZ2-CG1 4.44Å; V41-V50 HydrophobicContact CB-CB 4.44Å; V41-V50 HydrophobicContact CG1-CB 4.24Å; V41-V50 WeakPolarHBondContact O-CA 3.36Å; V41-V50 WeakPolarHBondContact O-CB 3.15Å; V41-V50 PolarHBondContact O-N 2.92Å; N43-V50 HydrophobicContact CB-CG2 3.63Å
51	K	91.8	Very high	92.7	Very high	56 Å²	56	59.4 Å²	59.4	24%	0.243	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	145	-177.3	-72.5	172	-174.6	-179.8	0	110.3	V41 Y86 N87 L89	V41-K51 HydrophobicContact CB-CB 4.43Å; V41-K51 PolarHBondContact N-O 3.44Å; V41-K51 PolarHBondContact O-N 3.4Å; K51-Y86 WeakPolarHBondContact CD-O 3.43Å; K51-Y86 PolarHBondContact NZ-O 2.99Å; K51-N87 PolarHBondContact NZ-O 3.11Å; K51-L89 HydrophobicContact CB-CD1 4.38Å; K51-L89 HydrophobicContact CB-CD2 4.34Å; K51-L89 HydrophobicContact CD-CD1 3.99Å; K51-L89 HydrophobicContact CD-CD2 3.84Å; K51-L89 HydrophobicContact CD-CG 3.88Å; K51-L89 HydrophobicContact CG-CD1 4.15Å; K51-L89 HydrophobicContact CG-CD2 4.49Å
52	T	93.3	Very high	92.7	Very high	62 Å²	62	59.5 Å²	59.5	38%	0.38	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.5	164.1	-65.9	0	0	0	0	108	V39 C40	V39-T52 WeakPolarHBondContact O-CA 3.23Å; C40-T52 PolarHBondContact SG-OG1 3.17Å; C40-T52 VanDerWaalsContact SG-OG1 3.37Å
53	F	92.4	Very high	92.7	Very high	22 Å²	22	57.6 Å²	57.6	10%	0.096	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	145.9	173.3	54.7	-83	0	0	0	110.4	S38 V39 V55 V72 F84 L89	S38-F53 WeakPolarHBondContact CA-O 3.49Å; V39-F53 HydrophobicContact CB-CE1 4.34Å; V39-F53 HydrophobicContact CB-CE2 4.02Å; V39-F53 HydrophobicContact CB-CZ 3.93Å; V39-F53 HydrophobicContact CG1-CE1 4.13Å; V39-F53 HydrophobicContact CG1-CE2 4.34Å; V39-F53 HydrophobicContact CG1-CZ 3.78Å; V39-F53 PolarHBondContact N-O 2.98Å; V39-F53 PolarHBondContact O-N 3.12Å; F53-V55 HydrophobicContact CD2-CG2 3.81Å; F53-V55 HydrophobicContact CE2-CG2 3.79Å; F53-V72 HydrophobicContact CZ-CG1 4.3Å; F53-F84 HydrophobicContact CD2-CD1 4.24Å; F53-F84 HydrophobicContact CD2-CD2 4.38Å; F53-F84 HydrophobicContact CD2-CE1 4.18Å; F53-F84 HydrophobicContact CD2-CE2 4.32Å; F53-F84 HydrophobicContact CD2-CG 4.32Å; F53-F84 HydrophobicContact CD2-CZ 4.22Å; F53-F84 HydrophobicContact CE2-CB 4.31Å; F53-F84 HydrophobicContact CE2-CD1 4.16Å; F53-F84 AromaticContact CE2-CD2 3.62Å; F53-F84 HydrophobicContact CE2-CD2 3.62Å; F53-F84 HydrophobicContact CE2-CE1 4.35Å; F53-F84 AromaticContact CE2-CE2 3.83Å; F53-F84 HydrophobicContact CE2-CE2 3.83Å; F53-F84 AromaticContact CE2-CG 3.78Å; F53-F84 HydrophobicContact CE2-CG 3.78Å; F53-F84 HydrophobicContact CE2-CZ 4.19Å; F53-F84 HydrophobicContact CZ-CB 4.46Å; F53-F84 HydrophobicContact CZ-CD2 4.37Å; F53-F84 HydrophobicContact CZ-CG 4.4Å; F53-L89 HydrophobicContact CD1-CD2 3.51Å; F53-L89 HydrophobicContact CE1-CD2 3.9Å; F53-L89 HydrophobicContact CG-CD2 4.17Å
54	E	92.2	Very high	92.8	Very high	162 Å²	162	59 Å²	59	76%	0.757	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	129.7	177.3	-67.6	175.2	166.8	0	0	109.2
55	V	92.2	Very high	93.1	Very high	11 Å²	11	59.3 Å²	59.3	7%	0.067	31%	0.307	C	S	.	.			trans	-101.9	-40.1	-172.3	179.2	0	0	0	0	110.8	G37 V39 F53 V60 T74 R82 F84	G37-V55 WeakPolarHBondContact O-CB 3.39Å; G37-V55 PolarHBondContact O-N 2.75Å; V39-V55 HydrophobicContact CB-CG2 4.15Å; V39-V55 HydrophobicContact CG2-CG2 3.64Å; F53-V55 HydrophobicContact CD2-CG2 3.81Å; F53-V55 HydrophobicContact CE2-CG2 3.79Å; V55-V60 HydrophobicContact CB-CG2 3.8Å; V55-V60 HydrophobicContact CG1-CG2 3.95Å; V55-V60 HydrophobicContact CG2-CG2 4.25Å; V55-T74 HydrophobicContact CG2-CG2 4.45Å; V55-R82 PolarHBondContact O-NE 3.26Å; V55-R82 PolarHBondContact O-NH2 3.13Å; V55-F84 HydrophobicContact CG1-CE2 4.07Å; V55-F84 HydrophobicContact CG1-CZ 4.27Å; V55-F84 HydrophobicContact CG2-CE2 4.06Å; V55-F84 HydrophobicContact CG2-CZ 4.22Å
56	C	92.3	Very high	93.5	Very high	22 Å²	22	53.5 Å²	53.5	15%	0.149	28%	0.28	C	S	.	.			trans	-168.7	167.9	179.1	45	0	0	0	0	109.3	G37 L58 A76	G37-C56 CarbonylContact C-O 3.56Å; G37-C56 VanDerWaalsContact CA-O 3.26Å; G37-C56 WeakPolarHBondContact CA-O 3.32Å; C56-L58 PolarHBondContact O-N 2.7Å; C56-L58 PolarHBondContact SG-O 2.95Å; C56-A76 VanDerWaalsContact SG-CB 3.53Å
57	D	92.4	Very high	93.6	Very high	165 Å²	165	51 Å²	51	88%	0.882	27%	0.267	S	S	*	.	S	Bend	trans	-77.2	7.4	173	-51.7	-62.6	0	0	0	113.8
58	L	94.7	Very high	93.7	Very high	82 Å²	82	50.7 Å²	50.7	43%	0.429	26%	0.261	S	S	.	.	S	Bend	trans	-123.3	154.4	-172.7	-73.3	178.3	0	0	0	111.5	G37 C56 V60 D77 D78	G37-L58 WeakPolarHBondContact CA-O 3.36Å; C56-L58 PolarHBondContact O-N 2.7Å; C56-L58 PolarHBondContact SG-O 2.95Å; L58-V60 PolarHBondContact O-N 3.41Å; L58-D77 HydrophobicContact CB-CB 4.21Å; L58-D78 HydrophobicContact CD1-CB 3.95Å
59	P	95.4	Very high	93.6	Very high	10 Å²	10	52.1 Å²	52.1	7%	0.065	26%	0.261	C	S	.	.			trans	-56	123.6	-174.3	-25.3	31.4	0	0	0	114.2	Y35 R61 A76 D77	Y35-P59 HydrophobicContact CD1-CG 4.37Å; Y35-P59 HydrophobicContact CD2-CB 3.63Å; Y35-P59 HydrophobicContact CD2-CG 3.65Å; Y35-P59 HydrophobicContact CE1-CG 4.2Å; Y35-P59 HydrophobicContact CE2-CB 3.83Å; Y35-P59 HydrophobicContact CE2-CG 3.44Å; Y35-P59 VanDerWaalsContact CE2-CG 3.44Å; Y35-P59 HydrophobicContact CG-CB 4.21Å; Y35-P59 HydrophobicContact CG-CG 4.1Å; Y35-P59 WeakPolarHBondContact O-CA 3.39Å; Y35-P59 WeakPolarHBondContact O-CG 3.37Å; P59-R61 PolarHBondContact O-N 3.4Å; P59-A76 WeakPolarHBondContact O-CA 3.49Å; P59-A76 WeakPolarHBondContact O-CB 3.34Å; P59-D77 WeakPolarHBondContact CB-OD2 3.27Å; P59-D77 WeakPolarHBondContact CG-OD2 3.48Å; P59-D77 PolarHBondContact O-N 3.46Å
60	V	96.2	Very high	93.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	99.2	168.6	-178.2	0	0	0	0	108.1	S33 L34 V39 V55 L58 T74 A76	S33-V60 VanDerWaalsContact CB-O 3.28Å; S33-V60 WeakPolarHBondContact CB-O 3.28Å; S33-V60 PolarHBondContact OG-O 3.38Å; L34-V60 PolarHBondContact O-N 2.7Å; V39-V60 HydrophobicContact CG2-CB 4.3Å; V39-V60 HydrophobicContact CG2-CG1 4.03Å; V39-V60 HydrophobicContact CG2-CG2 4.23Å; V55-V60 HydrophobicContact CB-CG2 3.8Å; V55-V60 HydrophobicContact CG1-CG2 3.95Å; V55-V60 HydrophobicContact CG2-CG2 4.25Å; L58-V60 PolarHBondContact O-N 3.41Å; V60-T74 HydrophobicContact CG1-CG2 4.35Å; V60-A76 HydrophobicContact CG2-CB 4.14Å
61	R	95	Very high	93.9	Very high	40 Å²	40	50.5 Å²	50.5	15%	0.151	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	-37.3	-177.5	-64.2	-162.3	-168.8	-82.7	-15.4	113.1	K19 S20 P59 G75 D77 I102	K19-R61 CarbonylContact C-O 3.55Å; S20-R61 WeakPolarHBondContact CB-O 3.36Å; P59-R61 PolarHBondContact O-N 3.4Å; R61-G75 PolarHBondContact N-O 3.49Å; R61-G75 VanDerWaalsContact N-O 3.11Å; R61-D77 IonicContact CZ-OD1 3.15Å; R61-D77 IonicContact CZ-OD2 3.9Å; R61-D77 IonicContact NE-OD1 3.66Å; R61-D77 PolarHBondContact NE-OD1 2.82Å; R61-D77 IonicContact NE-OD2 3.07Å; R61-D77 IonicContact NH2-OD1 2.95Å; R61-D77 PolarHBondContact NH2-OD1 3.35Å; R61-D77 IonicContact NH2-OD2 3Å; R61-D77 PolarHBondContact NH2-OD2 3.48Å; R61-I102 WeakPolarHBondContact CB-O 3.42Å; R61-I102 WeakPolarHBondContact CD-O 3.11Å
62	A	95.2	Very high	94.1	Very high	6 Å²	6	47.8 Å²	47.8	5%	0.05	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.7	-172.5	0	0	0	0	0	111.3	T74 G75 I105	A62-T74 CarbonylContact O-C 3.49Å; A62-T74 WeakPolarHBondContact O-CA 3.33Å; A62-G75 PolarHBondContact N-O 2.86Å; A62-G75 VanDerWaalsContact N-O 3.16Å; A62-G75 PolarHBondContact O-N 3.33Å; A62-I105 HydrophobicContact CB-CB 4.3Å; A62-I105 HydrophobicContact CB-CD1 4.19Å; A62-I105 HydrophobicContact CB-CG1 3.87Å
63	S	95.5	Very high	94.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	141	173.6	68.6	0	0	0	0	110.4	S20 L31 I73	S20-S63 PolarHBondContact OG-N 3.28Å; S20-S63 PolarHBondContact OG-OG 3.44Å; L31-S63 WeakPolarHBondContact CD2-OG 3.4Å; S63-I73 CarbonylContact C-O 3.46Å; S63-I73 VanDerWaalsContact CA-O 3.25Å; S63-I73 WeakPolarHBondContact CA-O 3.38Å
64	K	95.9	Very high	94.4	Very high	52 Å²	52	43.9 Å²	43.9	23%	0.226	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	144.2	179.6	-68.9	-59.7	168.3	-157.6	0	113.1	V21 D22 V72 I73 V107	V21-K64 PolarHBondContact O-NZ 3.34Å; V21-K64 VanDerWaalsContact O-NZ 3.11Å; D22-K64 HydrophobicContact CB-CD 4.12Å; D22-K64 WeakPolarHBondContact OD1-CD 3.48Å; D22-K64 WeakPolarHBondContact OD1-CE 3.41Å; D22-K64 IonicContact OD1-NZ 3.28Å; D22-K64 PolarHBondContact OD1-NZ 2.71Å; D22-K64 WeakPolarHBondContact OD2-CA 3.33Å; D22-K64 WeakPolarHBondContact OD2-CD 3.44Å; K64-V72 WeakPolarHBondContact O-CA 3.26Å; K64-I73 PolarHBondContact N-O 3.34Å; K64-I73 PolarHBondContact O-N 3.49Å; K64-V107 HydrophobicContact CB-CG2 3.85Å; K64-V107 HydrophobicContact CG-CG2 4.45Å
65	F	95.8	Very high	94.6	Very high	15 Å²	15	36.1 Å²	36.1	7%	0.066	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	143.6	170.5	-77.2	-64.7	0	0	0	112	D22 H24 W29 L31 V41 V72 Y86	D22-F65 HydrophobicContact CB-CD2 4.29Å; D22-F65 PolarHBondContact OD2-N 3.16Å; H24-F65 HydrophobicContact CB-CD2 4.04Å; H24-F65 HydrophobicContact CB-CE2 3.81Å; H24-F65 HydrophobicContact CB-CZ 4.21Å; H24-F65 AromaticContact CD2-CD1 3.72Å; H24-F65 AromaticContact CD2-CD2 3.98Å; H24-F65 AromaticContact CD2-CG 3.68Å; W29-F65 HydrophobicContact CB-CZ 4.38Å; L31-F65 HydrophobicContact CB-CD2 4.15Å; L31-F65 HydrophobicContact CB-CE2 3.61Å; L31-F65 HydrophobicContact CB-CZ 3.9Å; L31-F65 HydrophobicContact CD1-CZ 4.36Å; V41-F65 HydrophobicContact CG1-CZ 4.44Å; F65-V72 HydrophobicContact CD1-CG2 3.55Å; F65-V72 HydrophobicContact CE1-CG2 3.58Å; F65-Y86 AromaticContact CD1-CD1 3.72Å; F65-Y86 HydrophobicContact CD1-CD1 3.72Å; F65-Y86 AromaticContact CD1-CE1 3.87Å; F65-Y86 HydrophobicContact CD1-CE1 3.87Å; F65-Y86 AromaticContact CE1-CD1 3.85Å; F65-Y86 HydrophobicContact CE1-CD1 3.85Å; F65-Y86 HydrophobicContact CE1-CE1 4.25Å; F65-Y86 HydrophobicContact CE1-CG 4.44Å
66	V	95.4	Very high	94.8	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	74.7	166.1	-168.6	0	0	0	0	108.1	R68 K69 N70 W71 I73 V107 W128	V66-R68 PolarHBondContact O-N 3.34Å; V66-R68 VanDerWaalsContact O-N 3.1Å; V66-K69 PolarHBondContact O-N 2.98Å; V66-N70 PolarHBondContact O-N 3.18Å; V66-W71 HydrophobicContact CB-CB 4.26Å; V66-W71 PolarHBondContact N-O 3.5Å; V66-W71 PolarHBondContact O-N 2.76Å; V66-I73 HydrophobicContact CG2-CD1 3.57Å; V66-I73 HydrophobicContact CG2-CG1 3.91Å; V66-V107 HydrophobicContact CG1-CG1 4.46Å; V66-V107 HydrophobicContact CG2-CG1 3.96Å; V66-V107 HydrophobicContact CG2-CG2 3.94Å; V66-W128 HydrophobicContact CG1-CH2 3.98Å; V66-W128 HydrophobicContact CG1-CZ2 4.2Å
67	A	91.6	Very high	94.9	Very high	31 Å²	31	35.1 Å²	35.1	26%	0.256	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-49.2	-37.8	-179.5	0	0	0	0	0	113	H24 P25 K69 N70	H24-A67 VanDerWaalsContact NE2-CB 3.28Å; H24-A67 WeakPolarHBondContact NE2-CB 3.37Å; P25-A67 HydrophobicContact CG-CB 4.15Å; A67-K69 PolarHBondContact O-N 3.18Å; A67-N70 PolarHBondContact O-N 2.91Å; A67-N70 VanDerWaalsContact O-N 3.12Å
68	R	92	Very high	94.9	Very high	118 Å²	118	29 Å²	29	45%	0.445	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-55.5	-16.1	176	-79.1	174.5	-76.9	145.3	2.9	115.4	V66 H108 P109 T110	V66-R68 PolarHBondContact O-N 3.34Å; V66-R68 VanDerWaalsContact O-N 3.1Å; R68-H108 PolarHBondContact NH1-O 2.73Å; R68-H108 PolarHBondContact NH2-O 3.5Å; R68-P109 PolarHBondContact NE-O 2.82Å; R68-P109 PolarHBondContact NH1-O 3.45Å; R68-P109 PolarHBondContact NH2-O 3.36Å; R68-T110 PolarHBondContact NH1-O 2.92Å
69	K	91.4	Very high	94.9	Very high	101 Å²	101	28 Å²	28	44%	0.439	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-133.1	8.5	177.4	-67.7	-69.7	-175.7	176.3	0	113.1	V66 A67 W71	V66-K69 PolarHBondContact O-N 2.98Å; A67-K69 PolarHBondContact O-N 3.18Å; K69-W71 VanDerWaalsContact C-N 3.29Å; K69-W71 HydrophobicContact CB-CD2 3.53Å; K69-W71 HydrophobicContact CB-CE3 3.79Å; K69-W71 HydrophobicContact CB-CG 3.95Å; K69-W71 HydrophobicContact CB-CH2 4.26Å; K69-W71 HydrophobicContact CB-CZ2 4.03Å; K69-W71 HydrophobicContact CB-CZ3 4.14Å; K69-W71 HydrophobicContact CD-CH2 4.49Å; K69-W71 HydrophobicContact CD-CZ2 4.48Å; K69-W71 HydrophobicContact CG-CD2 4.4Å; K69-W71 HydrophobicContact CG-CE3 4.23Å; K69-W71 HydrophobicContact CG-CH2 4.16Å; K69-W71 HydrophobicContact CG-CZ2 4.32Å; K69-W71 HydrophobicContact CG-CZ3 4.11Å; K69-W71 PolarHBondContact O-N 3.28Å; K69-W71 PolarHBondContact O-NE1 3.38Å
70	N	94.7	Very high	94.9	Very high	67 Å²	67	29.9 Å²	29.9	36%	0.358	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	35.1	-170.2	-59.9	-43	0	0	0	115	V66 A67 N85 Y86	V66-N70 PolarHBondContact O-N 3.18Å; A67-N70 PolarHBondContact O-N 2.91Å; A67-N70 VanDerWaalsContact O-N 3.12Å; N70-N85 CarbonylContact O-C 3.51Å; N70-N85 WeakPolarHBondContact O-CA 3.44Å; N70-N85 PolarHBondContact O-OD1 3.27Å; N70-Y86 VanDerWaalsContact C-CD1 3.45Å; N70-Y86 VanDerWaalsContact CA-CZ 3.44Å; N70-Y86 WeakPolarHBondContact CA-OH 3.43Å; N70-Y86 HydrophobicContact CB-CD2 4.45Å; N70-Y86 HydrophobicContact CB-CE1 4.35Å; N70-Y86 HydrophobicContact CB-CE2 3.89Å; N70-Y86 WeakPolarHBondContact O-CD1 3.46Å; N70-Y86 PolarHBondContact O-N 3.2Å; N70-Y86 PolarHBondContact OD1-OH 3.46Å
71	W	95.6	Very high	94.8	Very high	36 Å²	36	29.9 Å²	29.9	14%	0.136	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	153.7	-176.8	-59.4	-21	0	0	0	114.3	V66 K69 V83 F84 V92 W128 W132	V66-W71 HydrophobicContact CB-CB 4.26Å; V66-W71 PolarHBondContact N-O 3.5Å; V66-W71 PolarHBondContact O-N 2.76Å; K69-W71 VanDerWaalsContact C-N 3.29Å; K69-W71 HydrophobicContact CB-CD2 3.53Å; K69-W71 HydrophobicContact CB-CE3 3.79Å; K69-W71 HydrophobicContact CB-CG 3.95Å; K69-W71 HydrophobicContact CB-CH2 4.26Å; K69-W71 HydrophobicContact CB-CZ2 4.03Å; K69-W71 HydrophobicContact CB-CZ3 4.14Å; K69-W71 HydrophobicContact CD-CH2 4.49Å; K69-W71 HydrophobicContact CD-CZ2 4.48Å; K69-W71 HydrophobicContact CG-CD2 4.4Å; K69-W71 HydrophobicContact CG-CE3 4.23Å; K69-W71 HydrophobicContact CG-CH2 4.16Å; K69-W71 HydrophobicContact CG-CZ2 4.32Å; K69-W71 HydrophobicContact CG-CZ3 4.11Å; K69-W71 PolarHBondContact O-N 3.28Å; K69-W71 PolarHBondContact O-NE1 3.38Å; W71-V83 HydrophobicContact CB-CG1 3.92Å; W71-V83 HydrophobicContact CD2-CG1 3.7Å; W71-V83 HydrophobicContact CE3-CG1 3.78Å; W71-V83 HydrophobicContact CG-CG1 3.79Å; W71-F84 CarbonylContact C-O 3.44Å; W71-F84 VanDerWaalsContact CA-O 3.24Å; W71-F84 WeakPolarHBondContact CA-O 3.23Å; W71-V92 HydrophobicContact CZ2-CG1 4.15Å; W71-W128 HydrophobicContact CZ3-CB 4.43Å; W71-W128 HydrophobicContact CZ3-CD2 4.38Å; W71-W128 HydrophobicContact CZ3-CG 4.09Å; W71-W132 HydrophobicContact CE3-CZ2 4.34Å; W71-W132 HydrophobicContact CH2-CZ2 4.42Å; W71-W132 HydrophobicContact CZ3-CH2 4.34Å; W71-W132 AromaticContact CZ3-CZ2 3.79Å; W71-W132 HydrophobicContact CZ3-CZ2 3.79Å
72	V	96.3	Very high	94.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.5	155.4	164.6	0	0	0	0	108.1	L31 F53 K64 F65 T74 V83 F84 Y86	L31-V72 HydrophobicContact CD1-CG1 4.1Å; L31-V72 HydrophobicContact CD1-CG2 3.86Å; L31-V72 HydrophobicContact CD2-CG1 3.8Å; L31-V72 HydrophobicContact CD2-CG2 4.02Å; F53-V72 HydrophobicContact CZ-CG1 4.3Å; K64-V72 WeakPolarHBondContact O-CA 3.26Å; F65-V72 HydrophobicContact CD1-CG2 3.55Å; F65-V72 HydrophobicContact CE1-CG2 3.58Å; V72-T74 HydrophobicContact CG1-CG2 3.79Å; V72-V83 WeakPolarHBondContact O-CA 3.38Å; V72-F84 PolarHBondContact N-O 3.44Å; V72-F84 PolarHBondContact O-N 3.13Å; V72-Y86 HydrophobicContact CG2-CD1 4.17Å
73	I	96.5	Very high	94.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.3	171.5	-56.5	-179.2	0	0	0	108.1	S63 K64 V66 I81 V83 I105 I114 W132	S63-I73 CarbonylContact C-O 3.46Å; S63-I73 VanDerWaalsContact CA-O 3.25Å; S63-I73 WeakPolarHBondContact CA-O 3.38Å; K64-I73 PolarHBondContact N-O 3.34Å; K64-I73 PolarHBondContact O-N 3.49Å; V66-I73 HydrophobicContact CG2-CD1 3.57Å; V66-I73 HydrophobicContact CG2-CG1 3.91Å; I73-I81 HydrophobicContact CG2-CG2 3.71Å; I73-V83 HydrophobicContact CG1-CG1 4.23Å; I73-V83 HydrophobicContact CG1-CG2 4.21Å; I73-V83 HydrophobicContact CG2-CG2 4.5Å; I73-I105 HydrophobicContact CG2-CD1 4.05Å; I73-I105 HydrophobicContact CG2-CG2 4.45Å; I73-I114 HydrophobicContact CD1-CG2 3.64Å; I73-I114 HydrophobicContact CG2-CD1 4.37Å; I73-W132 HydrophobicContact CD1-CH2 3.9Å; I73-W132 HydrophobicContact CD1-CZ3 4.39Å
74	T	96.5	Very high	94.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.1	-178.5	59.4	0	0	0	0	110.9	V39 V55 V60 A62 V72 I81 R82 F84	V39-T74 HydrophobicContact CG2-CG2 4.05Å; V55-T74 HydrophobicContact CG2-CG2 4.45Å; V60-T74 HydrophobicContact CG1-CG2 4.35Å; A62-T74 CarbonylContact O-C 3.49Å; A62-T74 WeakPolarHBondContact O-CA 3.33Å; V72-T74 HydrophobicContact CG1-CG2 3.79Å; T74-I81 WeakPolarHBondContact O-CA 3.15Å; T74-R82 PolarHBondContact N-O 2.83Å; T74-R82 PolarHBondContact O-N 3.44Å; T74-R82 PolarHBondContact OG1-O 2.91Å; T74-F84 HydrophobicContact CG2-CD2 4.48Å; T74-F84 HydrophobicContact CG2-CE2 4.47Å
75	G	96.1	Very high	94.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.7	172.2	0	0	0	0	0	110.6	R61 A62	R61-G75 PolarHBondContact N-O 3.49Å; R61-G75 VanDerWaalsContact N-O 3.11Å; A62-G75 PolarHBondContact N-O 2.86Å; A62-G75 VanDerWaalsContact N-O 3.16Å; A62-G75 PolarHBondContact O-N 3.33Å
76	A	95.4	Very high	94.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	176.2	-169.9	0	0	0	0	0	113.2	C56 P59 V60 D78 M79	C56-A76 VanDerWaalsContact SG-CB 3.53Å; P59-A76 WeakPolarHBondContact O-CA 3.49Å; P59-A76 WeakPolarHBondContact O-CB 3.34Å; V60-A76 HydrophobicContact CG2-CB 4.14Å; A76-D78 PolarHBondContact O-N 2.82Å; A76-M79 PolarHBondContact O-N 3.43Å
77	D	94.9	Very high	94.5	Very high	11 Å²	11	32 Å²	32	6%	0.059	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-5.8	175.7	-76.9	-13.9	0	0	0	113.9	L58 P59 R61 M79 Y101	L58-D77 HydrophobicContact CB-CB 4.21Å; P59-D77 WeakPolarHBondContact CB-OD2 3.27Å; P59-D77 WeakPolarHBondContact CG-OD2 3.48Å; P59-D77 PolarHBondContact O-N 3.46Å; R61-D77 IonicContact CZ-OD1 3.15Å; R61-D77 IonicContact CZ-OD2 3.9Å; R61-D77 IonicContact NE-OD1 3.66Å; R61-D77 PolarHBondContact NE-OD1 2.82Å; R61-D77 IonicContact NE-OD2 3.07Å; R61-D77 IonicContact NH2-OD1 2.95Å; R61-D77 PolarHBondContact NH2-OD1 3.35Å; R61-D77 IonicContact NH2-OD2 3Å; R61-D77 PolarHBondContact NH2-OD2 3.48Å; D77-M79 PolarHBondContact O-N 3.18Å; D77-Y101 HydrophobicContact CB-CD1 3.6Å; D77-Y101 HydrophobicContact CB-CE1 3.8Å; D77-Y101 HydrophobicContact CB-CG 4.32Å; D77-Y101 VanDerWaalsContact O-CD1 3.24Å; D77-Y101 WeakPolarHBondContact O-CD1 3.5Å; D77-Y101 WeakPolarHBondContact O-CE1 3.44Å; D77-Y101 WeakPolarHBondContact OD1-CB 3.47Å; D77-Y101 WeakPolarHBondContact OD1-CD1 3.33Å
78	D	93.4	Very high	94.4	Very high	36 Å²	36	34 Å²	34	19%	0.193	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	11.5	171.1	80.4	-21.1	0	0	0	113.7	L58 A76 Q80 R82	L58-D78 HydrophobicContact CD1-CB 3.95Å; A76-D78 PolarHBondContact O-N 2.82Å; D78-Q80 PolarHBondContact O-N 3.3Å; D78-Q80 VanDerWaalsContact O-N 3.1Å; D78-Q80 PolarHBondContact OD1-N 3.13Å; D78-R82 VanDerWaalsContact CG-NH1 3.29Å; D78-R82 IonicContact OD1-NH1 3.79Å; D78-R82 PolarHBondContact OD1-NH1 2.95Å; D78-R82 IonicContact OD2-CZ 3.01Å; D78-R82 IonicContact OD2-NH1 3.88Å; D78-R82 PolarHBondContact OD2-NH1 3.07Å; D78-R82 IonicContact OD2-NH2 2.64Å; D78-R82 PolarHBondContact OD2-NH2 2.9Å
79	M	93.4	Very high	94.2	Very high	60 Å²	60	31.4 Å²	31.4	30%	0.296	16%	0.157	S	C	.	.	S	Bend	trans	67.4	2.7	176.4	-43.2	171.9	-172.7	0	0	115.2	A76 D77 A97 H98	A76-M79 PolarHBondContact O-N 3.43Å; D77-M79 PolarHBondContact O-N 3.18Å; M79-A97 PolarHBondContact O-N 3.11Å; M79-H98 WeakPolarHBondContact CB-O 3.46Å
80	Q	95	Very high	94.2	Very high	50 Å²	50	32.4 Å²	32.4	23%	0.234	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	146.5	-178.7	-63.5	-176.4	7.9	0	0	112.9	D78 F95 E96 I102	D78-Q80 PolarHBondContact O-N 3.3Å; D78-Q80 VanDerWaalsContact O-N 3.1Å; D78-Q80 PolarHBondContact OD1-N 3.13Å; Q80-F95 CarbonylContact C-O 3.58Å; Q80-F95 VanDerWaalsContact CA-O 3.27Å; Q80-F95 WeakPolarHBondContact CA-O 3.38Å; Q80-E96 HydrophobicContact CG-CB 4.49Å; Q80-I102 WeakPolarHBondContact O-CD1 3.45Å
81	I	96.1	Very high	94.2	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.6	163.5	-62.7	171.8	0	0	0	107.8	I73 T74 M94 F95 A97 I102 I114 T116	I73-I81 HydrophobicContact CG2-CG2 3.71Å; T74-I81 WeakPolarHBondContact O-CA 3.15Å; I81-M94 WeakPolarHBondContact O-CA 3.44Å; I81-F95 HydrophobicContact CB-CD1 4.5Å; I81-F95 HydrophobicContact CB-CE1 4.01Å; I81-F95 HydrophobicContact CB-CE2 4.19Å; I81-F95 HydrophobicContact CB-CZ 3.85Å; I81-F95 HydrophobicContact CD1-CE2 3.81Å; I81-F95 HydrophobicContact CD1-CZ 3.71Å; I81-F95 HydrophobicContact CG1-CE2 4.42Å; I81-F95 HydrophobicContact CG1-CZ 4.33Å; I81-F95 HydrophobicContact CG2-CE1 4.01Å; I81-F95 HydrophobicContact CG2-CZ 4.04Å; I81-F95 PolarHBondContact N-O 3.01Å; I81-F95 PolarHBondContact O-N 3.42Å; I81-A97 HydrophobicContact CD1-CB 3.38Å; I81-A97 HydrophobicContact CG1-CB 3.63Å; I81-I102 HydrophobicContact CG1-CD1 3.73Å; I81-I114 HydrophobicContact CD1-CD1 3.98Å; I81-I114 HydrophobicContact CG2-CD1 4.39Å; I81-T116 HydrophobicContact CD1-CG2 3.35Å; I81-T116 HydrophobicContact CG1-CG2 4.37Å
82	R	95.5	Very high	94	Very high	18 Å²	18	37 Å²	37	7%	0.068	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.3	171.6	-63.6	160.2	174.7	79	-1.5	110.2	V55 T74 D78 F84 H93 M94	V55-R82 PolarHBondContact O-NE 3.26Å; V55-R82 PolarHBondContact O-NH2 3.13Å; T74-R82 PolarHBondContact N-O 2.83Å; T74-R82 PolarHBondContact O-N 3.44Å; T74-R82 PolarHBondContact OG1-O 2.91Å; D78-R82 VanDerWaalsContact CG-NH1 3.29Å; D78-R82 IonicContact OD1-NH1 3.79Å; D78-R82 PolarHBondContact OD1-NH1 2.95Å; D78-R82 IonicContact OD2-CZ 3.01Å; D78-R82 IonicContact OD2-NH1 3.88Å; D78-R82 PolarHBondContact OD2-NH1 3.07Å; D78-R82 IonicContact OD2-NH2 2.64Å; D78-R82 PolarHBondContact OD2-NH2 2.9Å; R82-F84 HydrophobicContact CB-CD2 4.31Å; R82-F84 HydrophobicContact CB-CE2 3.58Å; R82-F84 HydrophobicContact CB-CZ 4.1Å; R82-H93 WeakPolarHBondContact CA-O 3.27Å; R82-M94 HydrophobicContact CG-CB 4.29Å; R82-M94 HydrophobicContact CG-CE 3.98Å; R82-M94 HydrophobicContact CG-CG 4.17Å; R82-M94 VanDerWaalsContact NE-CE 3.31Å
83	V	96.2	Very high	93.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.2	-178.9	-173.3	0	0	0	0	108.2	W71 V72 I73 R91 V92 H93 W132	W71-V83 HydrophobicContact CB-CG1 3.92Å; W71-V83 HydrophobicContact CD2-CG1 3.7Å; W71-V83 HydrophobicContact CE3-CG1 3.78Å; W71-V83 HydrophobicContact CG-CG1 3.79Å; V72-V83 WeakPolarHBondContact O-CA 3.38Å; I73-V83 HydrophobicContact CG1-CG1 4.23Å; I73-V83 HydrophobicContact CG1-CG2 4.21Å; I73-V83 HydrophobicContact CG2-CG2 4.5Å; V83-R91 CarbonylContact O-C 3.59Å; V83-R91 WeakPolarHBondContact O-CA 3.19Å; V83-V92 HydrophobicContact CG1-CB 4.34Å; V83-V92 PolarHBondContact O-N 3.16Å; V83-H93 HydrophobicContact CB-CB 4.26Å; V83-H93 HydrophobicContact CG2-CB 4.21Å; V83-H93 PolarHBondContact N-O 2.91Å; V83-H93 PolarHBondContact O-N 2.61Å; V83-W132 HydrophobicContact CG1-CZ2 4.35Å; V83-W132 HydrophobicContact CG2-CH2 3.62Å; V83-W132 HydrophobicContact CG2-CZ2 3.68Å; V83-W132 HydrophobicContact CG2-CZ3 4.28Å
84	F	95.2	Very high	93.7	Very high	17 Å²	17	44.3 Å²	44.3	8%	0.075	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.8	-179.5	-61.5	-93	0	0	0	109.9	F53 V55 W71 V72 T74 R82 Y86 E90 R91	F53-F84 HydrophobicContact CD2-CD1 4.24Å; F53-F84 HydrophobicContact CD2-CD2 4.38Å; F53-F84 HydrophobicContact CD2-CE1 4.18Å; F53-F84 HydrophobicContact CD2-CE2 4.32Å; F53-F84 HydrophobicContact CD2-CG 4.32Å; F53-F84 HydrophobicContact CD2-CZ 4.22Å; F53-F84 HydrophobicContact CE2-CB 4.31Å; F53-F84 HydrophobicContact CE2-CD1 4.16Å; F53-F84 AromaticContact CE2-CD2 3.62Å; F53-F84 HydrophobicContact CE2-CD2 3.62Å; F53-F84 HydrophobicContact CE2-CE1 4.35Å; F53-F84 AromaticContact CE2-CE2 3.83Å; F53-F84 HydrophobicContact CE2-CE2 3.83Å; F53-F84 AromaticContact CE2-CG 3.78Å; F53-F84 HydrophobicContact CE2-CG 3.78Å; F53-F84 HydrophobicContact CE2-CZ 4.19Å; F53-F84 HydrophobicContact CZ-CB 4.46Å; F53-F84 HydrophobicContact CZ-CD2 4.37Å; F53-F84 HydrophobicContact CZ-CG 4.4Å; V55-F84 HydrophobicContact CG1-CE2 4.07Å; V55-F84 HydrophobicContact CG1-CZ 4.27Å; V55-F84 HydrophobicContact CG2-CE2 4.06Å; V55-F84 HydrophobicContact CG2-CZ 4.22Å; W71-F84 CarbonylContact C-O 3.44Å; W71-F84 VanDerWaalsContact CA-O 3.24Å; W71-F84 WeakPolarHBondContact CA-O 3.23Å; V72-F84 PolarHBondContact N-O 3.44Å; V72-F84 PolarHBondContact O-N 3.13Å; T74-F84 HydrophobicContact CG2-CD2 4.48Å; T74-F84 HydrophobicContact CG2-CE2 4.47Å; R82-F84 HydrophobicContact CB-CD2 4.31Å; R82-F84 HydrophobicContact CB-CE2 3.58Å; R82-F84 HydrophobicContact CB-CZ 4.1Å; F84-Y86 PolarHBondContact O-N 3.45Å; F84-E90 CarbonylContact C-O 3.6Å; F84-E90 VanDerWaalsContact CA-O 3.3Å; F84-E90 WeakPolarHBondContact CA-O 3.28Å; F84-R91 HydrophobicContact CD1-CB 4Å; F84-R91 HydrophobicContact CE1-CB 3.92Å; F84-R91 HydrophobicContact CE1-CG 4.31Å
85	N	94.8	Very high	93.6	Very high	34 Å²	34	46 Å²	46	18%	0.182	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	117.5	166.6	178.7	-13.7	0	0	0	108.2	N70 N87 T88 L89 E90 V92	N70-N85 CarbonylContact O-C 3.51Å; N70-N85 WeakPolarHBondContact O-CA 3.44Å; N70-N85 PolarHBondContact O-OD1 3.27Å; N85-N87 PolarHBondContact O-N 2.84Å; N85-N87 WeakPolarHBondContact OD1-CB 3.46Å; N85-N87 PolarHBondContact OD1-N 3.19Å; N85-T88 WeakPolarHBondContact CB-OG1 3.4Å; N85-T88 PolarHBondContact ND2-OG1 2.9Å; N85-L89 WeakPolarHBondContact O-CA 3.45Å; N85-L89 PolarHBondContact O-N 3.06Å; N85-E90 PolarHBondContact N-O 3.35Å; N85-V92 HydrophobicContact CB-CG2 4Å
86	Y	92.4	Very high	93.5	Very high	11 Å²	11	52.5 Å²	52.5	4%	0.043	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-13	-176.2	59.1	-121.8	0	0	0	113.4	H24 W29 K51 F65 N70 V72 F84	H24-Y86 PolarHBondContact CE1-OH 3.1Å; H24-Y86 AromaticContact NE2-CE1 3.79Å; H24-Y86 AromaticContact NE2-CZ 3.6Å; H24-Y86 PolarHBondContact NE2-OH 3.03Å; H24-Y86 VanDerWaalsContact NE2-OH 3.08Å; W29-Y86 HydrophobicContact CH2-CD2 4.38Å; W29-Y86 AromaticContact CZ3-CD2 3.67Å; W29-Y86 HydrophobicContact CZ3-CD2 3.67Å; W29-Y86 AromaticContact CZ3-CE2 3.9Å; W29-Y86 HydrophobicContact CZ3-CE2 3.9Å; W29-Y86 HydrophobicContact CZ3-CG 4.34Å; K51-Y86 WeakPolarHBondContact CD-O 3.43Å; K51-Y86 PolarHBondContact NZ-O 2.99Å; F65-Y86 AromaticContact CD1-CD1 3.72Å; F65-Y86 HydrophobicContact CD1-CD1 3.72Å; F65-Y86 AromaticContact CD1-CE1 3.87Å; F65-Y86 HydrophobicContact CD1-CE1 3.87Å; F65-Y86 AromaticContact CE1-CD1 3.85Å; F65-Y86 HydrophobicContact CE1-CD1 3.85Å; F65-Y86 HydrophobicContact CE1-CE1 4.25Å; F65-Y86 HydrophobicContact CE1-CG 4.44Å; N70-Y86 VanDerWaalsContact C-CD1 3.45Å; N70-Y86 VanDerWaalsContact CA-CZ 3.44Å; N70-Y86 WeakPolarHBondContact CA-OH 3.43Å; N70-Y86 HydrophobicContact CB-CD2 4.45Å; N70-Y86 HydrophobicContact CB-CE1 4.35Å; N70-Y86 HydrophobicContact CB-CE2 3.89Å; N70-Y86 WeakPolarHBondContact O-CD1 3.46Å; N70-Y86 PolarHBondContact O-N 3.2Å; N70-Y86 PolarHBondContact OD1-OH 3.46Å; V72-Y86 HydrophobicContact CG2-CD1 4.17Å; F84-Y86 PolarHBondContact O-N 3.45Å
87	N	91.4	Very high	93.4	Very high	80 Å²	80	52.7 Å²	52.7	43%	0.428	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-52.3	174.3	-69.6	-17.5	0	0	0	111	K51 N85	K51-N87 PolarHBondContact NZ-O 3.11Å; N85-N87 PolarHBondContact O-N 2.84Å; N85-N87 WeakPolarHBondContact OD1-CB 3.46Å; N85-N87 PolarHBondContact OD1-N 3.19Å
88	T	90.2	Very high	93.4	Very high	74 Å²	74	52.4 Å²	52.4	45%	0.454	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-12.8	-177.5	59.7	0	0	0	0	114.7	N85 E90	N85-T88 WeakPolarHBondContact CB-OG1 3.4Å; N85-T88 PolarHBondContact ND2-OG1 2.9Å; T88-E90 WeakPolarHBondContact CB-OE2 3.4Å; T88-E90 WeakPolarHBondContact CG2-OE2 3.47Å; T88-E90 PolarHBondContact O-N 2.88Å; T88-E90 WeakPolarHBondContact OG1-CB 3.42Å; T88-E90 WeakPolarHBondContact OG1-CG 3.42Å; T88-E90 PolarHBondContact OG1-N 2.67Å; T88-E90 PolarHBondContact OG1-OE2 3.42Å
89	L	87.6	Confident	93.4	Very high	62 Å²	62	54.7 Å²	54.7	33%	0.325	27%	0.273	S	S	.	.			trans	62.4	6.8	-167.1	-66.5	176.9	0	0	0	115.4	K51 F53 N85	K51-L89 HydrophobicContact CB-CD1 4.38Å; K51-L89 HydrophobicContact CB-CD2 4.34Å; K51-L89 HydrophobicContact CD-CD1 3.99Å; K51-L89 HydrophobicContact CD-CD2 3.84Å; K51-L89 HydrophobicContact CD-CG 3.88Å; K51-L89 HydrophobicContact CG-CD1 4.15Å; K51-L89 HydrophobicContact CG-CD2 4.49Å; F53-L89 HydrophobicContact CD1-CD2 3.51Å; F53-L89 HydrophobicContact CE1-CD2 3.9Å; F53-L89 HydrophobicContact CG-CD2 4.17Å; N85-L89 WeakPolarHBondContact O-CA 3.45Å; N85-L89 PolarHBondContact O-N 3.06Å
90	E	91.5	Very high	93.5	Very high	122 Å²	122	54.2 Å²	54.2	57%	0.57	27%	0.272	S	S	*	.			trans	-70	138.2	178.6	-64.3	165.4	127.1	0	0	111.8	F84 N85 T88 V92	F84-E90 CarbonylContact C-O 3.6Å; F84-E90 VanDerWaalsContact CA-O 3.3Å; F84-E90 WeakPolarHBondContact CA-O 3.28Å; N85-E90 PolarHBondContact N-O 3.35Å; T88-E90 WeakPolarHBondContact CB-OE2 3.4Å; T88-E90 WeakPolarHBondContact CG2-OE2 3.47Å; T88-E90 PolarHBondContact O-N 2.88Å; T88-E90 WeakPolarHBondContact OG1-CB 3.42Å; T88-E90 WeakPolarHBondContact OG1-CG 3.42Å; T88-E90 PolarHBondContact OG1-N 2.67Å; T88-E90 PolarHBondContact OG1-OE2 3.42Å; E90-V92 PolarHBondContact O-N 2.85Å
91	R	93.2	Very high	93.6	Very high	143 Å²	143	56.4 Å²	56.4	54%	0.54	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	98.8	173.9	178.4	-179.3	56.2	108.2	10.1	109.6	V83 F84 M94	V83-R91 CarbonylContact O-C 3.59Å; V83-R91 WeakPolarHBondContact O-CA 3.19Å; F84-R91 HydrophobicContact CD1-CB 4Å; F84-R91 HydrophobicContact CE1-CB 3.92Å; F84-R91 HydrophobicContact CE1-CG 4.31Å; R91-M94 PolarHBondContact NH1-SD 2.92Å
92	V	92.2	Very high	93.6	Very high	56 Å²	56	56.4 Å²	56.4	34%	0.339	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	-44.6	-179.9	-168.8	0	0	0	0	111.3	W71 V83 N85 E90	W71-V92 HydrophobicContact CZ2-CG1 4.15Å; V83-V92 HydrophobicContact CG1-CB 4.34Å; V83-V92 PolarHBondContact O-N 3.16Å; N85-V92 HydrophobicContact CB-CG2 4Å; E90-V92 PolarHBondContact O-N 2.85Å
93	H	92.4	Very high	93.6	Very high	81 Å²	81	58.2 Å²	58.2	38%	0.375	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	158.4	178.7	-77.9	-75.5	0	0	0	112.7	R82 V83 W132	R82-H93 WeakPolarHBondContact CA-O 3.27Å; V83-H93 HydrophobicContact CB-CB 4.26Å; V83-H93 HydrophobicContact CG2-CB 4.21Å; V83-H93 PolarHBondContact N-O 2.91Å; V83-H93 PolarHBondContact O-N 2.61Å; H93-W132 AromaticContact CD2-CD1 3.65Å; H93-W132 AromaticContact CD2-CE2 3.98Å; H93-W132 AromaticContact CD2-NE1 3.02Å; H93-W132 PolarHBondContact CD2-NE1 3.2Å; H93-W132 AromaticContact CE1-CD1 3.88Å; H93-W132 AromaticContact CE1-NE1 3.99Å; H93-W132 AromaticContact CG-CD1 3.71Å; H93-W132 AromaticContact CG-NE1 3.43Å; H93-W132 AromaticContact ND1-CD1 3.85Å; H93-W132 AromaticContact NE2-CD1 3.73Å; H93-W132 AromaticContact NE2-NE1 3.41Å; H93-W132 PolarHBondContact NE2-NE1 2.95Å
94	M	93.8	Very high	93.5	Very high	74 Å²	74	59.1 Å²	59.1	37%	0.365	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	131.8	175.3	168.7	-170.9	-96.9	0	0	108.3	I81 R82 R91	I81-M94 WeakPolarHBondContact O-CA 3.44Å; R82-M94 HydrophobicContact CG-CB 4.29Å; R82-M94 HydrophobicContact CG-CE 3.98Å; R82-M94 HydrophobicContact CG-CG 4.17Å; R82-M94 VanDerWaalsContact NE-CE 3.31Å; R91-M94 PolarHBondContact NH1-SD 2.92Å
95	F	94.8	Very high	93.6	Very high	36 Å²	36	58.4 Å²	58.4	16%	0.158	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	153.6	173.4	61.4	-84.6	0	0	0	111.7	Q80 I81 A97 W126 W132	Q80-F95 CarbonylContact C-O 3.58Å; Q80-F95 VanDerWaalsContact CA-O 3.27Å; Q80-F95 WeakPolarHBondContact CA-O 3.38Å; I81-F95 HydrophobicContact CB-CD1 4.5Å; I81-F95 HydrophobicContact CB-CE1 4.01Å; I81-F95 HydrophobicContact CB-CE2 4.19Å; I81-F95 HydrophobicContact CB-CZ 3.85Å; I81-F95 HydrophobicContact CD1-CE2 3.81Å; I81-F95 HydrophobicContact CD1-CZ 3.71Å; I81-F95 HydrophobicContact CG1-CE2 4.42Å; I81-F95 HydrophobicContact CG1-CZ 4.33Å; I81-F95 HydrophobicContact CG2-CE1 4.01Å; I81-F95 HydrophobicContact CG2-CZ 4.04Å; I81-F95 PolarHBondContact N-O 3.01Å; I81-F95 PolarHBondContact O-N 3.42Å; F95-A97 HydrophobicContact CD2-CB 4.15Å; F95-A97 HydrophobicContact CE2-CB 3.85Å; F95-W126 HydrophobicContact CD2-CE3 4.24Å; F95-W126 HydrophobicContact CD2-CH2 4.16Å; F95-W126 AromaticContact CD2-CZ3 3.9Å; F95-W126 HydrophobicContact CD2-CZ3 3.9Å; F95-W126 AromaticContact CE2-CD2 3.67Å; F95-W126 HydrophobicContact CE2-CD2 3.67Å; F95-W126 AromaticContact CE2-CE2 3.91Å; F95-W126 AromaticContact CE2-CE3 3.46Å; F95-W126 HydrophobicContact CE2-CE3 3.46Å; F95-W126 VanDerWaalsContact CE2-CE3 3.46Å; F95-W126 HydrophobicContact CE2-CG 4.42Å; F95-W126 AromaticContact CE2-CH2 3.82Å; F95-W126 HydrophobicContact CE2-CH2 3.82Å; F95-W126 HydrophobicContact CE2-CZ2 4.01Å; F95-W126 AromaticContact CE2-CZ3 3.52Å; F95-W126 HydrophobicContact CE2-CZ3 3.52Å; F95-W126 HydrophobicContact CZ-CD2 4.05Å; F95-W126 HydrophobicContact CZ-CE3 4.01Å; F95-W126 HydrophobicContact CZ-CG 4.36Å; F95-W126 HydrophobicContact CZ-CZ3 4.48Å; F95-W132 HydrophobicContact CD1-CB 4.28Å; F95-W132 HydrophobicContact CD1-CG 4.48Å; F95-W132 HydrophobicContact CE1-CB 3.96Å; F95-W132 AromaticContact CE1-CD2 3.81Å; F95-W132 HydrophobicContact CE1-CD2 3.81Å; F95-W132 AromaticContact CE1-CE3 3.54Å; F95-W132 HydrophobicContact CE1-CE3 3.54Å; F95-W132 HydrophobicContact CE1-CG 4.01Å; F95-W132 HydrophobicContact CE1-CZ3 4.32Å; F95-W132 HydrophobicContact CZ-CB 4.36Å; F95-W132 HydrophobicContact CZ-CD2 4.42Å; F95-W132 AromaticContact CZ-CE3 3.79Å; F95-W132 HydrophobicContact CZ-CE3 3.79Å
96	E	94.8	Very high	93.6	Very high	137 Å²	137	57.3 Å²	57.3	64%	0.64	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	123.3	170.4	-171.2	-179.7	144.4	0	0	109.2	Q80	Q80-E96 HydrophobicContact CG-CB 4.49Å
97	A	93	Very high	93.8	Very high	5 Å²	5	58.4 Å²	58.4	4%	0.041	29%	0.292	C	S	.	.			trans	-109.7	-35.6	-170.4	0	0	0	0	0	113.2	M79 I81 F95 I102 K124 W126	M79-A97 PolarHBondContact O-N 3.11Å; I81-A97 HydrophobicContact CD1-CB 3.38Å; I81-A97 HydrophobicContact CG1-CB 3.63Å; F95-A97 HydrophobicContact CD2-CB 4.15Å; F95-A97 HydrophobicContact CE2-CB 3.85Å; A97-I102 HydrophobicContact CB-CD1 4.29Å; A97-K124 VanDerWaalsContact O-CD 3.23Å; A97-K124 WeakPolarHBondContact O-CD 3.27Å; A97-K124 PolarHBondContact O-NZ 2.99Å; A97-W126 HydrophobicContact CB-CH2 4.15Å; A97-W126 HydrophobicContact CB-CZ2 3.61Å; A97-W126 WeakPolarHBondContact O-CZ2 3.4Å
98	H	95.1	Very high	93.9	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.019	27%	0.272	C	S	.	.			trans	-132.6	169.3	-177.8	-73	-96.3	0	0	0	110.1	M79 T116 S118 D120 K124	M79-H98 WeakPolarHBondContact CB-O 3.46Å; H98-T116 PolarHBondContact NE2-OG1 3.23Å; H98-S118 WeakPolarHBondContact CB-OG 3.18Å; H98-S118 WeakPolarHBondContact ND1-CB 3.4Å; H98-D120 WeakPolarHBondContact CB-OD2 3.44Å; H98-D120 IonicContact CE1-OD1 3.54Å; H98-D120 IonicContact CG-OD1 2.8Å; H98-D120 IonicContact CG-OD2 3.54Å; H98-D120 IonicContact ND1-OD1 3.58Å; H98-D120 PolarHBondContact ND1-OD1 3.09Å; H98-D120 IonicContact ND1-OD2 3.53Å; H98-D120 PolarHBondContact ND1-OD2 3Å; H98-K124 PolarHBondContact ND1-NZ 3.3Å
99	S	93.6	Very high	93.9	Very high	84 Å²	84	53.8 Å²	53.8	59%	0.587	27%	0.267	S	S	*	.	S	Bend	trans	-99.5	10.4	174.2	61.8	0	0	0	0	113.2	D120	S99-D120 PolarHBondContact N-OD2 3.37Å
100	D	95.4	Very high	94	Very high	50 Å²	50	55.4 Å²	55.4	27%	0.267	28%	0.28	S	S	.	.	S	Bend	trans	-156.9	173.5	177.8	-148.7	-25.9	0	0	0	110	I102 S118 D119 D120	D100-I102 PolarHBondContact O-N 2.69Å; D100-S118 VanDerWaalsContact C-OG 3.25Å; D100-S118 PolarHBondContact O-OG 3.16Å; D100-D119 HydrophobicContact CB-CB 3.91Å; D100-D120 HydrophobicContact CB-CB 4.11Å
101	Y	95.8	Very high	94.1	Very high	96 Å²	96	53.8 Å²	53.8	38%	0.376	27%	0.272	S	S	.	.			trans	-48.1	126.6	-172	-58.9	-30.5	0	0	0	114.2	D77 R103 S118 D119	D77-Y101 HydrophobicContact CB-CD1 3.6Å; D77-Y101 HydrophobicContact CB-CE1 3.8Å; D77-Y101 HydrophobicContact CB-CG 4.32Å; D77-Y101 VanDerWaalsContact O-CD1 3.24Å; D77-Y101 WeakPolarHBondContact O-CD1 3.5Å; D77-Y101 WeakPolarHBondContact O-CE1 3.44Å; D77-Y101 WeakPolarHBondContact OD1-CB 3.47Å; D77-Y101 WeakPolarHBondContact OD1-CD1 3.33Å; Y101-R103 PolarHBondContact O-N 3.43Å; Y101-S118 WeakPolarHBondContact O-CA 3.09Å; Y101-S118 WeakPolarHBondContact O-CB 3.34Å; Y101-S118 PolarHBondContact O-OG 2.87Å; Y101-S118 VanDerWaalsContact O-OG 3.1Å; Y101-D119 PolarHBondContact O-N 2.91Å; Y101-D119 VanDerWaalsContact O-N 3.09Å
102	I	96.4	Very high	94.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	121.4	174.8	-60.3	171.8	0	0	0	108.8	R61 Q80 I81 A97 D100 I105	R61-I102 WeakPolarHBondContact CB-O 3.42Å; R61-I102 WeakPolarHBondContact CD-O 3.11Å; Q80-I102 WeakPolarHBondContact O-CD1 3.45Å; I81-I102 HydrophobicContact CG1-CD1 3.73Å; A97-I102 HydrophobicContact CB-CD1 4.29Å; D100-I102 PolarHBondContact O-N 2.69Å; I102-I105 HydrophobicContact CG2-CG1 4.27Å
103	R	95.2	Very high	94.2	Very high	56 Å²	56	47.7 Å²	47.7	21%	0.211	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-43.4	-176	-70.6	-70.5	174.6	159.1	-2.1	113.1	Y101 S117 D119 V145	Y101-R103 PolarHBondContact O-N 3.43Å; R103-S117 PolarHBondContact N-O 3.23Å; R103-D119 VanDerWaalsContact CG-OD1 3.3Å; R103-D119 WeakPolarHBondContact CG-OD1 3.38Å; R103-D119 IonicContact CZ-OD1 3.84Å; R103-D119 IonicContact CZ-OD2 2.8Å; R103-D119 IonicContact NE-OD1 2.76Å; R103-D119 PolarHBondContact NE-OD1 3.24Å; R103-D119 IonicContact NE-OD2 3.2Å; R103-D119 PolarHBondContact NE-OD2 3.32Å; R103-D119 IonicContact NH2-OD1 2.73Å; R103-D119 PolarHBondContact NH2-OD1 3.03Å; R103-D119 IonicContact NH2-OD2 3.61Å; R103-D119 PolarHBondContact NH2-OD2 2.88Å; R103-V145 WeakPolarHBondContact CB-O 3.4Å
104	C	95.4	Very high	94.4	Very high	19 Å²	19	43.9 Å²	43.9	13%	0.128	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	152.4	-174.2	-166.7	0	0	0	0	111.8	T116 S117 I148	C104-T116 WeakPolarHBondContact O-CA 3.3Å; C104-S117 WeakPolarHBondContact CB-OG 3.22Å; C104-S117 PolarHBondContact N-OG 3.25Å; C104-S117 PolarHBondContact O-N 2.92Å; C104-I148 HydrophobicContact CB-CG1 3.84Å
105	I	96.8	Very high	94.5	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.6	174.4	-60.9	178.9	0	0	0	107.4	A62 I73 I102 I114 L115 T116	A62-I105 HydrophobicContact CB-CB 4.3Å; A62-I105 HydrophobicContact CB-CD1 4.19Å; A62-I105 HydrophobicContact CB-CG1 3.87Å; I73-I105 HydrophobicContact CG2-CD1 4.05Å; I73-I105 HydrophobicContact CG2-CG2 4.45Å; I102-I105 HydrophobicContact CG2-CG1 4.27Å; I105-I114 HydrophobicContact CG2-CB 4.49Å; I105-L115 WeakPolarHBondContact CA-O 3.21Å; I105-T116 HydrophobicContact CD1-CG2 4.5Å; I105-T116 HydrophobicContact CG1-CG2 3.91Å; I105-T116 HydrophobicContact CG2-CG2 4.46Å
106	A	95.4	Very high	94.6	Very high	11 Å²	11	38.7 Å²	38.7	9%	0.091	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.1	171.8	0	0	0	0	0	109.8	I114 L115 I148 I150	A106-I114 WeakPolarHBondContact O-CA 3.41Å; A106-L115 HydrophobicContact CB-CB 4.42Å; A106-L115 PolarHBondContact N-O 2.97Å; A106-L115 PolarHBondContact O-N 2.77Å; A106-I148 HydrophobicContact CB-CD1 4.04Å; A106-I148 HydrophobicContact CB-CG1 4.22Å; A106-I150 HydrophobicContact CB-CD1 4.22Å; A106-I150 HydrophobicContact CB-CG1 4.24Å
107	V	95.1	Very high	94.6	Very high	33 Å²	33	32.2 Å²	32.2	20%	0.2	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.5	177.4	-179	0	0	0	0	108.8	K64 V66 I114 W128	K64-V107 HydrophobicContact CB-CG2 3.85Å; K64-V107 HydrophobicContact CG-CG2 4.45Å; V66-V107 HydrophobicContact CG1-CG1 4.46Å; V66-V107 HydrophobicContact CG2-CG1 3.96Å; V66-V107 HydrophobicContact CG2-CG2 3.94Å; V107-I114 HydrophobicContact CG2-CG2 4.14Å; V107-W128 HydrophobicContact CG1-CH2 4.11Å; V107-W128 HydrophobicContact CG1-CZ3 4.22Å
108	H	94.3	Very high	94.8	Very high	4 Å²	4	32 Å²	32	2%	0.019	17%	0.172	C	C	.	.			trans	-72.1	132.8	177.7	-177.5	-87	0	0	0	111	R68 T110 Q111 Y113 I150 N155	R68-H108 PolarHBondContact NH1-O 2.73Å; R68-H108 PolarHBondContact NH2-O 3.5Å; H108-T110 PolarHBondContact CE1-OG1 2.97Å; H108-T110 VanDerWaalsContact CE1-OG1 3.22Å; H108-T110 PolarHBondContact ND1-N 2.82Å; H108-T110 PolarHBondContact O-N 3.16Å; H108-Q111 PolarHBondContact CE1-N 3.23Å; H108-Q111 WeakPolarHBondContact ND1-CB 3.47Å; H108-Q111 PolarHBondContact ND1-N 3.19Å; H108-Q111 PolarHBondContact ND1-O 3.42Å; H108-Y113 WeakPolarHBondContact CB-O 3.38Å; H108-Y113 PolarHBondContact N-O 2.91Å; H108-I150 HydrophobicContact CB-CD1 3.9Å; H108-N155 PolarHBondContact CD2-O 2.9Å; H108-N155 VanDerWaalsContact NE2-CB 3.32Å; H108-N155 WeakPolarHBondContact NE2-CB 3.42Å; H108-N155 PolarHBondContact NE2-O 3.19Å
109	P	90.1	Very high	94.8	Very high	53 Å²	53	32 Å²	32	34%	0.344	17%	0.172	S	C	.	.	S	Bend	trans	-73.5	-21.3	-164.8	26.1	-34.4	0	0	0	115.3	R68 N155	R68-P109 PolarHBondContact NE-O 2.82Å; R68-P109 PolarHBondContact NH1-O 3.45Å; R68-P109 PolarHBondContact NH2-O 3.36Å; P109-N155 HydrophobicContact CG-CB 4.12Å; P109-N155 WeakPolarHBondContact CG-OD1 3.43Å
110	T	90.1	Very high	94.8	Very high	96 Å²	96	29.3 Å²	29.3	59%	0.589	15%	0.151	S	C	*	.	S	Bend	trans	-119.2	-68.1	180	58.8	0	0	0	0	112.8	R68 H108	R68-T110 PolarHBondContact NH1-O 2.92Å; H108-T110 PolarHBondContact CE1-OG1 2.97Å; H108-T110 VanDerWaalsContact CE1-OG1 3.22Å; H108-T110 PolarHBondContact ND1-N 2.82Å; H108-T110 PolarHBondContact O-N 3.16Å
111	Q	92.3	Very high	94.8	Very high	89 Å²	89	30.6 Å²	30.6	42%	0.416	16%	0.157	S	C	.	.	S	Bend	trans	-61.2	158	176	-61.7	171.2	-19	0	0	113	H108 Y113	H108-Q111 PolarHBondContact CE1-N 3.23Å; H108-Q111 WeakPolarHBondContact ND1-CB 3.47Å; H108-Q111 PolarHBondContact ND1-N 3.19Å; H108-Q111 PolarHBondContact ND1-O 3.42Å; Q111-Y113 HydrophobicContact CB-CD2 3.98Å; Q111-Y113 HydrophobicContact CB-CE2 4.05Å; Q111-Y113 HydrophobicContact CB-CG 4.43Å; Q111-Y113 PolarHBondContact O-N 2.81Å
112	P	94.3	Very high	94.7	Very high	22 Å²	22	28 Å²	28	14%	0.143	15%	0.149	C	C	.	.	S	Bend	trans	-81.3	47.4	-171.3	36.6	-41.6	0	0	0	114.4	W128 E129	P112-W128 VanDerWaalsContact CA-CE2 3.46Å; P112-W128 VanDerWaalsContact CA-CZ2 3.44Å; P112-W128 HydrophobicContact CB-CD2 4.04Å; P112-W128 HydrophobicContact CB-CG 4.24Å; P112-W128 HydrophobicContact CB-CZ2 3.98Å; P112-W128 VanDerWaalsContact CB-NE1 3.34Å; P112-W128 VanDerWaalsContact O-CD2 3.26Å; P112-W128 PolarHBondContact O-N 3.36Å; P112-E129 HydrophobicContact CB-CB 4.31Å; P112-E129 VanDerWaalsContact CB-CD 3.49Å; P112-E129 HydrophobicContact CB-CG 3.75Å; P112-E129 WeakPolarHBondContact CB-OE1 3.5Å; P112-E129 HydrophobicContact CG-CB 4.25Å; P112-E129 HydrophobicContact CG-CG 4.07Å
113	Y	94.4	Very high	94.7	Very high	49 Å²	49	28.1 Å²	28.1	19%	0.192	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.7	-171.8	-58.6	-28.6	0	0	0	113.7	H108 Q111 L125 W126 D127 W128 L172	H108-Y113 WeakPolarHBondContact CB-O 3.38Å; H108-Y113 PolarHBondContact N-O 2.91Å; Q111-Y113 HydrophobicContact CB-CD2 3.98Å; Q111-Y113 HydrophobicContact CB-CE2 4.05Å; Q111-Y113 HydrophobicContact CB-CG 4.43Å; Q111-Y113 PolarHBondContact O-N 2.81Å; Y113-L125 HydrophobicContact CD2-CD1 4.09Å; Y113-L125 HydrophobicContact CG-CD1 3.92Å; Y113-W126 WeakPolarHBondContact CA-O 3.34Å; Y113-D127 HydrophobicContact CD1-CB 4.06Å; Y113-D127 HydrophobicContact CE1-CB 4.04Å; Y113-D127 WeakPolarHBondContact CE1-OD2 3.36Å; Y113-W128 WeakPolarHBondContact O-CZ3 3.43Å; Y113-L172 HydrophobicContact CD2-CD1 4.25Å; Y113-L172 HydrophobicContact CE2-CD1 4.5Å
114	I	95.9	Very high	94.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.3	154.9	63	166.3	0	0	0	111	I73 I81 I105 A106 V107 T116 L125 W126 W128 W132	I73-I114 HydrophobicContact CD1-CG2 3.64Å; I73-I114 HydrophobicContact CG2-CD1 4.37Å; I81-I114 HydrophobicContact CD1-CD1 3.98Å; I81-I114 HydrophobicContact CG2-CD1 4.39Å; I105-I114 HydrophobicContact CG2-CB 4.49Å; A106-I114 WeakPolarHBondContact O-CA 3.41Å; V107-I114 HydrophobicContact CG2-CG2 4.14Å; I114-T116 HydrophobicContact CD1-CG2 3.93Å; I114-L125 WeakPolarHBondContact O-CA 3.23Å; I114-W126 HydrophobicContact CD1-CB 4.4Å; I114-W126 HydrophobicContact CD1-CG 4.48Å; I114-W126 HydrophobicContact CG1-CB 3.78Å; I114-W126 HydrophobicContact CG1-CG 4.19Å; I114-W126 PolarHBondContact N-O 3.16Å; I114-W126 PolarHBondContact O-N 3.26Å; I114-W128 HydrophobicContact CG2-CE3 4.07Å; I114-W128 HydrophobicContact CG2-CZ3 3.79Å; I114-W132 HydrophobicContact CD1-CE3 4.46Å; I114-W132 HydrophobicContact CD1-CZ3 3.81Å; I114-W132 HydrophobicContact CG1-CZ3 4.13Å
115	L	96.2	Very high	94.8	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.9	161.7	-70.4	165.8	0	0	0	108.5	I105 A106 I123 K124 L125 F138 I148 I150 F158 L172	I105-L115 WeakPolarHBondContact CA-O 3.21Å; A106-L115 HydrophobicContact CB-CB 4.42Å; A106-L115 PolarHBondContact N-O 2.97Å; A106-L115 PolarHBondContact O-N 2.77Å; L115-I123 HydrophobicContact CD2-CG2 4.25Å; L115-K124 CarbonylContact C-O 3.54Å; L115-K124 WeakPolarHBondContact CA-O 3.14Å; L115-L125 HydrophobicContact CD2-CB 4.02Å; L115-L125 HydrophobicContact CD2-CD1 3.7Å; L115-L125 HydrophobicContact CD2-CG 4.47Å; L115-L125 HydrophobicContact CG-CD1 4.12Å; L115-F138 HydrophobicContact CD2-CE2 3.77Å; L115-F138 HydrophobicContact CD2-CZ 4.45Å; L115-I148 VanDerWaalsContact C-CD1 3.41Å; L115-I148 HydrophobicContact CB-CD1 3.63Å; L115-I148 WeakPolarHBondContact O-CD1 3.47Å; L115-I150 HydrophobicContact CD1-CD1 4.01Å; L115-I150 HydrophobicContact CD1-CG1 3.81Å; L115-F158 HydrophobicContact CD1-CB 3.96Å; L115-F158 HydrophobicContact CD1-CD1 3.61Å; L115-F158 HydrophobicContact CD1-CD2 3.93Å; L115-F158 HydrophobicContact CD1-CE1 4Å; L115-F158 HydrophobicContact CD1-CE2 4.29Å; L115-F158 HydrophobicContact CD1-CG 3.56Å; L115-F158 HydrophobicContact CD1-CZ 4.32Å; L115-F158 HydrophobicContact CD2-CE1 4.12Å; L115-F158 HydrophobicContact CD2-CZ 4.15Å; L115-L172 HydrophobicContact CD1-CD2 4.18Å; L115-L172 HydrophobicContact CD2-CD2 4.21Å; L115-L172 HydrophobicContact CG-CD2 4.48Å
116	T	96.8	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.5	172.7	58.2	0	0	0	0	111.4	I81 H98 C104 I105 I114 I123 K124 W126	I81-T116 HydrophobicContact CD1-CG2 3.35Å; I81-T116 HydrophobicContact CG1-CG2 4.37Å; H98-T116 PolarHBondContact NE2-OG1 3.23Å; C104-T116 WeakPolarHBondContact O-CA 3.3Å; I105-T116 HydrophobicContact CD1-CG2 4.5Å; I105-T116 HydrophobicContact CG1-CG2 3.91Å; I105-T116 HydrophobicContact CG2-CG2 4.46Å; I114-T116 HydrophobicContact CD1-CG2 3.93Å; T116-I123 CarbonylContact O-C 3.57Å; T116-I123 VanDerWaalsContact O-CA 3.29Å; T116-I123 WeakPolarHBondContact O-CA 3.22Å; T116-I123 WeakPolarHBondContact O-CG2 3.46Å; T116-K124 PolarHBondContact N-O 3.44Å; T116-K124 PolarHBondContact O-N 2.83Å; T116-W126 PolarHBondContact OG1-NE1 2.79Å
117	S	95.7	Very high	94.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.8	177.6	79	0	0	0	0	111.5	R103 C104 V145	R103-S117 PolarHBondContact N-O 3.23Å; C104-S117 WeakPolarHBondContact CB-OG 3.22Å; C104-S117 PolarHBondContact N-OG 3.25Å; C104-S117 PolarHBondContact O-N 2.92Å; S117-V145 WeakPolarHBondContact CB-O 3.4Å; S117-V145 PolarHBondContact OG-O 3.39Å
118	S	96.1	Very high	94.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	170.2	-171.9	170.6	0	0	0	0	112.9	H98 D100 Y101 D120 V145	H98-S118 WeakPolarHBondContact CB-OG 3.18Å; H98-S118 WeakPolarHBondContact ND1-CB 3.4Å; D100-S118 VanDerWaalsContact C-OG 3.25Å; D100-S118 PolarHBondContact O-OG 3.16Å; Y101-S118 WeakPolarHBondContact O-CA 3.09Å; Y101-S118 WeakPolarHBondContact O-CB 3.34Å; Y101-S118 PolarHBondContact O-OG 2.87Å; Y101-S118 VanDerWaalsContact O-OG 3.1Å; S118-D120 WeakPolarHBondContact CB-OD1 3.47Å; S118-D120 PolarHBondContact O-N 2.86Å; S118-D120 PolarHBondContact OG-N 3.46Å; S118-V145 PolarHBondContact O-N 3.27Å; S118-V145 VanDerWaalsContact O-N 3.1Å
119	D	95.8	Very high	94.5	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.032	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16	166.1	-71.4	4.6	0	0	0	112.4	D100 Y101 R103 M121 Y144	D100-D119 HydrophobicContact CB-CB 3.91Å; Y101-D119 PolarHBondContact O-N 2.91Å; Y101-D119 VanDerWaalsContact O-N 3.09Å; R103-D119 VanDerWaalsContact CG-OD1 3.3Å; R103-D119 WeakPolarHBondContact CG-OD1 3.38Å; R103-D119 IonicContact CZ-OD1 3.84Å; R103-D119 IonicContact CZ-OD2 2.8Å; R103-D119 IonicContact NE-OD1 2.76Å; R103-D119 PolarHBondContact NE-OD1 3.24Å; R103-D119 IonicContact NE-OD2 3.2Å; R103-D119 PolarHBondContact NE-OD2 3.32Å; R103-D119 IonicContact NH2-OD1 2.73Å; R103-D119 PolarHBondContact NH2-OD1 3.03Å; R103-D119 IonicContact NH2-OD2 3.61Å; R103-D119 PolarHBondContact NH2-OD2 2.88Å; D119-M121 PolarHBondContact O-N 3.32Å; D119-Y144 HydrophobicContact CB-CD1 3.65Å; D119-Y144 HydrophobicContact CB-CD2 4.36Å; D119-Y144 HydrophobicContact CB-CE1 3.94Å; D119-Y144 HydrophobicContact CB-CG 3.9Å; D119-Y144 VanDerWaalsContact O-CD1 3.27Å; D119-Y144 WeakPolarHBondContact O-CD1 3.33Å; D119-Y144 WeakPolarHBondContact OD1-CB 3.44Å
120	D	94.3	Very high	94.6	Very high	27 Å²	27	35 Å²	35	14%	0.144	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	4	172.3	80.7	-5.4	0	0	0	114.1	H98 S99 D100 S118 L122 K124	H98-D120 WeakPolarHBondContact CB-OD2 3.44Å; H98-D120 IonicContact CE1-OD1 3.54Å; H98-D120 IonicContact CG-OD1 2.8Å; H98-D120 IonicContact CG-OD2 3.54Å; H98-D120 IonicContact ND1-OD1 3.58Å; H98-D120 PolarHBondContact ND1-OD1 3.09Å; H98-D120 IonicContact ND1-OD2 3.53Å; H98-D120 PolarHBondContact ND1-OD2 3Å; S99-D120 PolarHBondContact N-OD2 3.37Å; D100-D120 HydrophobicContact CB-CB 4.11Å; S118-D120 WeakPolarHBondContact CB-OD1 3.47Å; S118-D120 PolarHBondContact O-N 2.86Å; S118-D120 PolarHBondContact OG-N 3.46Å; D120-L122 PolarHBondContact O-N 2.74Å; D120-L122 VanDerWaalsContact OD1-CB 3.26Å; D120-L122 WeakPolarHBondContact OD1-CB 3.35Å; D120-L122 PolarHBondContact OD1-N 3.44Å; D120-K124 IonicContact OD2-NZ 2.78Å; D120-K124 PolarHBondContact OD2-NZ 3.24Å
121	M	93.9	Very high	94.6	Very high	77 Å²	77	39.5 Å²	39.5	38%	0.379	18%	0.181	S	C	.	.	S	Bend	trans	68.3	0.7	-179.1	-45.7	-177	-169.7	0	0	114.7	D119	D119-M121 PolarHBondContact O-N 3.32Å
122	L	94.9	Very high	94.6	Very high	42 Å²	42	36 Å²	36	22%	0.22	16%	0.164	C	C	.	.			trans	-97.3	156.1	-178.6	-53.4	176.5	0	0	0	111.8	D120 V137 E139	D120-L122 PolarHBondContact O-N 2.74Å; D120-L122 VanDerWaalsContact OD1-CB 3.26Å; D120-L122 WeakPolarHBondContact OD1-CB 3.35Å; D120-L122 PolarHBondContact OD1-N 3.44Å; L122-V137 HydrophobicContact CB-CG1 4.16Å; L122-V137 HydrophobicContact CD1-CG1 4.06Å; L122-V137 HydrophobicContact CD2-CG1 4Å; L122-V137 HydrophobicContact CG-CG1 4.31Å; L122-E139 HydrophobicContact CD2-CG 3.92Å
123	I	96.4	Very high	94.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.5	162	-51.3	169.7	0	0	0	106.7	L115 T116 F138 V145 I148 F158 S160 W170	L115-I123 HydrophobicContact CD2-CG2 4.25Å; T116-I123 CarbonylContact O-C 3.57Å; T116-I123 VanDerWaalsContact O-CA 3.29Å; T116-I123 WeakPolarHBondContact O-CA 3.22Å; T116-I123 WeakPolarHBondContact O-CG2 3.46Å; I123-F138 HydrophobicContact CB-CB 4.22Å; I123-F138 HydrophobicContact CB-CD2 4.1Å; I123-F138 HydrophobicContact CG2-CD2 4.13Å; I123-F138 PolarHBondContact N-O 3.33Å; I123-F138 WeakPolarHBondContact O-CD2 3.4Å; I123-F138 PolarHBondContact O-N 3.04Å; I123-V145 HydrophobicContact CD1-CG1 3.97Å; I123-V145 HydrophobicContact CG1-CB 4.49Å; I123-V145 HydrophobicContact CG1-CG1 3.93Å; I123-V145 HydrophobicContact CG1-CG2 4.38Å; I123-I148 HydrophobicContact CD1-CG2 3.93Å; I123-I148 HydrophobicContact CG1-CG2 4.32Å; I123-I148 HydrophobicContact CG2-CG2 4.18Å; I123-F158 HydrophobicContact CD1-CE2 3.95Å; I123-F158 HydrophobicContact CG2-CE2 4.06Å; I123-F158 HydrophobicContact CG2-CZ 4.35Å; I123-S160 VanDerWaalsContact CD1-CB 3.44Å; I123-W170 HydrophobicContact CD1-CZ2 4.38Å
124	K	95.9	Very high	94.4	Very high	26 Å²	26	38.5 Å²	38.5	11%	0.113	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.2	-176.9	-64.7	176.7	-168.1	164.8	0	110.8	A97 H98 L115 T116 D120 W126 V137	A97-K124 VanDerWaalsContact O-CD 3.23Å; A97-K124 WeakPolarHBondContact O-CD 3.27Å; A97-K124 PolarHBondContact O-NZ 2.99Å; H98-K124 PolarHBondContact ND1-NZ 3.3Å; L115-K124 CarbonylContact C-O 3.54Å; L115-K124 WeakPolarHBondContact CA-O 3.14Å; T116-K124 PolarHBondContact N-O 3.44Å; T116-K124 PolarHBondContact O-N 2.83Å; D120-K124 IonicContact OD2-NZ 2.78Å; D120-K124 PolarHBondContact OD2-NZ 3.24Å; K124-W126 HydrophobicContact CB-CZ2 3.96Å; K124-W126 HydrophobicContact CD-CZ2 3.79Å; K124-W126 HydrophobicContact CG-CZ2 4.49Å; K124-V137 HydrophobicContact CG-CG1 4.34Å; K124-V137 HydrophobicContact CG-CG2 4.31Å
125	L	95.9	Very high	94.2	Very high	7 Å²	7	41 Å²	41	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.6	175.4	-179.3	67.5	0	0	0	109	Y113 I114 L115 C134 S135 Q136 F138 L172	Y113-L125 HydrophobicContact CD2-CD1 4.09Å; Y113-L125 HydrophobicContact CG-CD1 3.92Å; I114-L125 WeakPolarHBondContact O-CA 3.23Å; L115-L125 HydrophobicContact CD2-CB 4.02Å; L115-L125 HydrophobicContact CD2-CD1 3.7Å; L115-L125 HydrophobicContact CD2-CG 4.47Å; L115-L125 HydrophobicContact CG-CD1 4.12Å; L125-C134 CarbonylContact O-C 3.55Å; L125-C134 WeakPolarHBondContact O-CA 3.48Å; L125-S135 PolarHBondContact O-N 2.62Å; L125-Q136 HydrophobicContact CB-CB 4.16Å; L125-Q136 HydrophobicContact CD2-CB 4.24Å; L125-Q136 PolarHBondContact N-O 3.34Å; L125-F138 HydrophobicContact CB-CE2 4.04Å; L125-L172 HydrophobicContact CD1-CD2 4Å; L125-L172 HydrophobicContact CD2-CD2 4.38Å
126	W	95.5	Very high	94	Very high	21 Å²	21	43.2 Å²	43.2	8%	0.08	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.8	179.3	-48.8	83.1	0	0	0	110.4	F95 A97 Y113 I114 T116 K124 C134	F95-W126 HydrophobicContact CD2-CE3 4.24Å; F95-W126 HydrophobicContact CD2-CH2 4.16Å; F95-W126 AromaticContact CD2-CZ3 3.9Å; F95-W126 HydrophobicContact CD2-CZ3 3.9Å; F95-W126 AromaticContact CE2-CD2 3.67Å; F95-W126 HydrophobicContact CE2-CD2 3.67Å; F95-W126 AromaticContact CE2-CE2 3.91Å; F95-W126 AromaticContact CE2-CE3 3.46Å; F95-W126 HydrophobicContact CE2-CE3 3.46Å; F95-W126 VanDerWaalsContact CE2-CE3 3.46Å; F95-W126 HydrophobicContact CE2-CG 4.42Å; F95-W126 AromaticContact CE2-CH2 3.82Å; F95-W126 HydrophobicContact CE2-CH2 3.82Å; F95-W126 HydrophobicContact CE2-CZ2 4.01Å; F95-W126 AromaticContact CE2-CZ3 3.52Å; F95-W126 HydrophobicContact CE2-CZ3 3.52Å; F95-W126 HydrophobicContact CZ-CD2 4.05Å; F95-W126 HydrophobicContact CZ-CE3 4.01Å; F95-W126 HydrophobicContact CZ-CG 4.36Å; F95-W126 HydrophobicContact CZ-CZ3 4.48Å; A97-W126 HydrophobicContact CB-CH2 4.15Å; A97-W126 HydrophobicContact CB-CZ2 3.61Å; A97-W126 WeakPolarHBondContact O-CZ2 3.4Å; Y113-W126 WeakPolarHBondContact CA-O 3.34Å; I114-W126 HydrophobicContact CD1-CB 4.4Å; I114-W126 HydrophobicContact CD1-CG 4.48Å; I114-W126 HydrophobicContact CG1-CB 3.78Å; I114-W126 HydrophobicContact CG1-CG 4.19Å; I114-W126 PolarHBondContact N-O 3.16Å; I114-W126 PolarHBondContact O-N 3.26Å; T116-W126 PolarHBondContact OG1-NE1 2.79Å; K124-W126 HydrophobicContact CB-CZ2 3.96Å; K124-W126 HydrophobicContact CD-CZ2 3.79Å; K124-W126 HydrophobicContact CG-CZ2 4.49Å; W126-C134 HydrophobicContact CD2-CB 4.27Å; W126-C134 HydrophobicContact CE3-CB 3.75Å; W126-C134 HydrophobicContact CH2-CB 3.95Å; W126-C134 HydrophobicContact CZ2-CB 4.43Å; W126-C134 HydrophobicContact CZ3-CB 3.6Å
127	D	94.5	Very high	93.9	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	113.2	178.4	-178.5	-30.9	0	0	0	109.6	Y113 E129 K130 W132 T133 S135	Y113-D127 HydrophobicContact CD1-CB 4.06Å; Y113-D127 HydrophobicContact CE1-CB 4.04Å; Y113-D127 WeakPolarHBondContact CE1-OD2 3.36Å; D127-E129 PolarHBondContact OD1-N 3.37Å; D127-K130 HydrophobicContact CB-CB 4.12Å; D127-K130 HydrophobicContact CB-CG 4.43Å; D127-K130 CarbonylContact O-C 3.54Å; D127-K130 PolarHBondContact OD1-N 2.98Å; D127-K130 WeakPolarHBondContact OD2-CD 3.17Å; D127-K130 WeakPolarHBondContact OD2-CG 3.43Å; D127-K130 IonicContact OD2-NZ 3.62Å; D127-K130 PolarHBondContact OD2-NZ 3.01Å; D127-W132 WeakPolarHBondContact O-CA 3.34Å; D127-W132 PolarHBondContact O-N 3.3Å; D127-T133 PolarHBondContact N-O 2.93Å; D127-T133 VanDerWaalsContact N-O 3.14Å; D127-S135 WeakPolarHBondContact CB-OG 3.32Å
128	W	93	Very high	93.9	Very high	19 Å²	19	45.6 Å²	45.6	7%	0.072	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-18.1	-175.7	66.3	64.5	0	0	0	113.8	V66 W71 V107 P112 Y113 I114 W132	V66-W128 HydrophobicContact CG1-CH2 3.98Å; V66-W128 HydrophobicContact CG1-CZ2 4.2Å; W71-W128 HydrophobicContact CZ3-CB 4.43Å; W71-W128 HydrophobicContact CZ3-CD2 4.38Å; W71-W128 HydrophobicContact CZ3-CG 4.09Å; V107-W128 HydrophobicContact CG1-CH2 4.11Å; V107-W128 HydrophobicContact CG1-CZ3 4.22Å; P112-W128 VanDerWaalsContact CA-CE2 3.46Å; P112-W128 VanDerWaalsContact CA-CZ2 3.44Å; P112-W128 HydrophobicContact CB-CD2 4.04Å; P112-W128 HydrophobicContact CB-CG 4.24Å; P112-W128 HydrophobicContact CB-CZ2 3.98Å; P112-W128 VanDerWaalsContact CB-NE1 3.34Å; P112-W128 VanDerWaalsContact O-CD2 3.26Å; P112-W128 PolarHBondContact O-N 3.36Å; Y113-W128 WeakPolarHBondContact O-CZ3 3.43Å; I114-W128 HydrophobicContact CG2-CE3 4.07Å; I114-W128 HydrophobicContact CG2-CZ3 3.79Å; W128-W132 HydrophobicContact CB-CD2 3.78Å; W128-W132 VanDerWaalsContact CB-CE2 3.44Å; W128-W132 HydrophobicContact CB-CE3 3.98Å; W128-W132 HydrophobicContact CB-CH2 3.6Å; W128-W132 HydrophobicContact CB-CZ2 3.36Å; W128-W132 HydrophobicContact CB-CZ3 3.9Å; W128-W132 HydrophobicContact CE3-CH2 4.28Å; W128-W132 HydrophobicContact CG-CH2 4.35Å; W128-W132 HydrophobicContact CG-CZ2 4.26Å
129	E	92.8	Very high	93.7	Very high	129 Å²	129	51.9 Å²	51.9	60%	0.603	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-35.8	173.7	-74.7	174.3	-169.5	0	0	110.1	P112 D127 K131	P112-E129 HydrophobicContact CB-CB 4.31Å; P112-E129 VanDerWaalsContact CB-CD 3.49Å; P112-E129 HydrophobicContact CB-CG 3.75Å; P112-E129 WeakPolarHBondContact CB-OE1 3.5Å; P112-E129 HydrophobicContact CG-CB 4.25Å; P112-E129 HydrophobicContact CG-CG 4.07Å; D127-E129 PolarHBondContact OD1-N 3.37Å; E129-K131 PolarHBondContact O-N 3.33Å
130	K	91.6	Very high	93.4	Very high	120 Å²	120	53.6 Å²	53.6	52%	0.522	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	41.8	168.1	-58.8	-172.7	-169.9	92.4	0	112.9	D127 W132 T133	D127-K130 HydrophobicContact CB-CB 4.12Å; D127-K130 HydrophobicContact CB-CG 4.43Å; D127-K130 CarbonylContact O-C 3.54Å; D127-K130 PolarHBondContact OD1-N 2.98Å; D127-K130 WeakPolarHBondContact OD2-CD 3.17Å; D127-K130 WeakPolarHBondContact OD2-CG 3.43Å; D127-K130 IonicContact OD2-NZ 3.62Å; D127-K130 PolarHBondContact OD2-NZ 3.01Å; K130-W132 PolarHBondContact O-N 3.43Å; K130-W132 VanDerWaalsContact O-N 3.14Å; K130-T133 WeakPolarHBondContact CB-OG1 3.44Å; K130-T133 WeakPolarHBondContact O-CG2 3.33Å; K130-T133 PolarHBondContact O-N 3.49Å; K130-T133 VanDerWaalsContact O-N 3.12Å; K130-T133 PolarHBondContact O-OG1 3.01Å
131	K	90.3	Very high	93.5	Very high	189 Å²	189	53 Å²	53	82%	0.822	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	37.3	175.1	-58.2	-177	178.5	-179.2	0	114.3	E129	E129-K131 PolarHBondContact O-N 3.33Å
132	W	91.9	Very high	93.5	Very high	16 Å²	16	54.4 Å²	54.4	6%	0.061	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	33.3	-179.1	-54.8	86.8	0	0	0	114.9	W71 I73 V83 H93 F95 I114 D127 W128 K130	W71-W132 HydrophobicContact CE3-CZ2 4.34Å; W71-W132 HydrophobicContact CH2-CZ2 4.42Å; W71-W132 HydrophobicContact CZ3-CH2 4.34Å; W71-W132 AromaticContact CZ3-CZ2 3.79Å; W71-W132 HydrophobicContact CZ3-CZ2 3.79Å; I73-W132 HydrophobicContact CD1-CH2 3.9Å; I73-W132 HydrophobicContact CD1-CZ3 4.39Å; V83-W132 HydrophobicContact CG1-CZ2 4.35Å; V83-W132 HydrophobicContact CG2-CH2 3.62Å; V83-W132 HydrophobicContact CG2-CZ2 3.68Å; V83-W132 HydrophobicContact CG2-CZ3 4.28Å; H93-W132 AromaticContact CD2-CD1 3.65Å; H93-W132 AromaticContact CD2-CE2 3.98Å; H93-W132 AromaticContact CD2-NE1 3.02Å; H93-W132 PolarHBondContact CD2-NE1 3.2Å; H93-W132 AromaticContact CE1-CD1 3.88Å; H93-W132 AromaticContact CE1-NE1 3.99Å; H93-W132 AromaticContact CG-CD1 3.71Å; H93-W132 AromaticContact CG-NE1 3.43Å; H93-W132 AromaticContact ND1-CD1 3.85Å; H93-W132 AromaticContact NE2-CD1 3.73Å; H93-W132 AromaticContact NE2-NE1 3.41Å; H93-W132 PolarHBondContact NE2-NE1 2.95Å; F95-W132 HydrophobicContact CD1-CB 4.28Å; F95-W132 HydrophobicContact CD1-CG 4.48Å; F95-W132 HydrophobicContact CE1-CB 3.96Å; F95-W132 AromaticContact CE1-CD2 3.81Å; F95-W132 HydrophobicContact CE1-CD2 3.81Å; F95-W132 AromaticContact CE1-CE3 3.54Å; F95-W132 HydrophobicContact CE1-CE3 3.54Å; F95-W132 HydrophobicContact CE1-CG 4.01Å; F95-W132 HydrophobicContact CE1-CZ3 4.32Å; F95-W132 HydrophobicContact CZ-CB 4.36Å; F95-W132 HydrophobicContact CZ-CD2 4.42Å; F95-W132 AromaticContact CZ-CE3 3.79Å; F95-W132 HydrophobicContact CZ-CE3 3.79Å; I114-W132 HydrophobicContact CD1-CE3 4.46Å; I114-W132 HydrophobicContact CD1-CZ3 3.81Å; I114-W132 HydrophobicContact CG1-CZ3 4.13Å; D127-W132 WeakPolarHBondContact O-CA 3.34Å; D127-W132 PolarHBondContact O-N 3.3Å; W128-W132 HydrophobicContact CB-CD2 3.78Å; W128-W132 VanDerWaalsContact CB-CE2 3.44Å; W128-W132 HydrophobicContact CB-CE3 3.98Å; W128-W132 HydrophobicContact CB-CH2 3.6Å; W128-W132 HydrophobicContact CB-CZ2 3.36Å; W128-W132 HydrophobicContact CB-CZ3 3.9Å; W128-W132 HydrophobicContact CE3-CH2 4.28Å; W128-W132 HydrophobicContact CG-CH2 4.35Å; W128-W132 HydrophobicContact CG-CZ2 4.26Å; K130-W132 PolarHBondContact O-N 3.43Å; K130-W132 VanDerWaalsContact O-N 3.14Å
133	T	93.1	Very high	93.5	Very high	71 Å²	71	55.8 Å²	55.8	44%	0.436	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	139.1	166.6	51.9	0	0	0	0	111.4	D127 K130 S135	D127-T133 PolarHBondContact N-O 2.93Å; D127-T133 VanDerWaalsContact N-O 3.14Å; K130-T133 WeakPolarHBondContact CB-OG1 3.44Å; K130-T133 WeakPolarHBondContact O-CG2 3.33Å; K130-T133 PolarHBondContact O-N 3.49Å; K130-T133 VanDerWaalsContact O-N 3.12Å; K130-T133 PolarHBondContact O-OG1 3.01Å; T133-S135 PolarHBondContact O-N 2.93Å; T133-S135 VanDerWaalsContact O-N 3.15Å
134	C	92.6	Very high	93.5	Very high	52 Å²	52	59.4 Å²	59.4	35%	0.351	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	104.1	165.1	-174.8	0	0	0	0	109	L125 W126	L125-C134 CarbonylContact O-C 3.55Å; L125-C134 WeakPolarHBondContact O-CA 3.48Å; W126-C134 HydrophobicContact CD2-CB 4.27Å; W126-C134 HydrophobicContact CE3-CB 3.75Å; W126-C134 HydrophobicContact CH2-CB 3.95Å; W126-C134 HydrophobicContact CZ2-CB 4.43Å; W126-C134 HydrophobicContact CZ3-CB 3.6Å
135	S	90.8	Very high	93.5	Very high	54 Å²	54	58.2 Å²	58.2	38%	0.378	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-33.6	-178.8	-64.5	0	0	0	0	112.6	L125 D127 T133	L125-S135 PolarHBondContact O-N 2.62Å; D127-S135 WeakPolarHBondContact CB-OG 3.32Å; T133-S135 PolarHBondContact O-N 2.93Å; T133-S135 VanDerWaalsContact O-N 3.15Å
136	Q	91.6	Very high	93.5	Very high	47 Å²	47	59.7 Å²	59.7	22%	0.22	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	147.4	-179.6	-165	162.2	-62	0	0	112.2	L125 F138 L172 S174	L125-Q136 HydrophobicContact CB-CB 4.16Å; L125-Q136 HydrophobicContact CD2-CB 4.24Å; L125-Q136 PolarHBondContact N-O 3.34Å; Q136-F138 HydrophobicContact CB-CZ 4.45Å; Q136-F138 HydrophobicContact CG-CE1 4.45Å; Q136-F138 HydrophobicContact CG-CZ 4.29Å; Q136-L172 VanDerWaalsContact CD-O 3.31Å; Q136-L172 PolarHBondContact NE2-O 3.24Å; Q136-L172 PolarHBondContact OE1-O 3.29Å; Q136-S174 VanDerWaalsContact NE2-C 3.25Å; Q136-S174 PolarHBondContact NE2-O 3.24Å; Q136-S174 VanDerWaalsContact NE2-O 3.16Å
137	V	95	Very high	93.5	Very high	49 Å²	49	60.9 Å²	60.9	30%	0.297	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.9	168.5	-172.7	0	0	0	0	107.9	L122 K124 E139	L122-V137 HydrophobicContact CB-CG1 4.16Å; L122-V137 HydrophobicContact CD1-CG1 4.06Å; L122-V137 HydrophobicContact CD2-CG1 4Å; L122-V137 HydrophobicContact CG-CG1 4.31Å; K124-V137 HydrophobicContact CG-CG1 4.34Å; K124-V137 HydrophobicContact CG-CG2 4.31Å; V137-E139 HydrophobicContact CG1-CG 4.16Å
138	F	94.9	Very high	93.6	Very high	1 Å²	1	61 Å²	61	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.5	174.3	-51.9	-94.8	0	0	0	109	L115 I123 L125 Q136 F158 W170 S174	L115-F138 HydrophobicContact CD2-CE2 3.77Å; L115-F138 HydrophobicContact CD2-CZ 4.45Å; I123-F138 HydrophobicContact CB-CB 4.22Å; I123-F138 HydrophobicContact CB-CD2 4.1Å; I123-F138 HydrophobicContact CG2-CD2 4.13Å; I123-F138 PolarHBondContact N-O 3.33Å; I123-F138 WeakPolarHBondContact O-CD2 3.4Å; I123-F138 PolarHBondContact O-N 3.04Å; L125-F138 HydrophobicContact CB-CE2 4.04Å; Q136-F138 HydrophobicContact CB-CZ 4.45Å; Q136-F138 HydrophobicContact CG-CE1 4.45Å; Q136-F138 HydrophobicContact CG-CZ 4.29Å; F138-F158 HydrophobicContact CD1-CE1 4.3Å; F138-F158 AromaticContact CD1-CZ 3.91Å; F138-F158 HydrophobicContact CD1-CZ 3.91Å; F138-F158 HydrophobicContact CD2-CE1 4.43Å; F138-F158 AromaticContact CD2-CZ 3.75Å; F138-F158 HydrophobicContact CD2-CZ 3.75Å; F138-F158 AromaticContact CE1-CE1 3.74Å; F138-F158 HydrophobicContact CE1-CE1 3.74Å; F138-F158 AromaticContact CE1-CZ 3.8Å; F138-F158 HydrophobicContact CE1-CZ 3.8Å; F138-F158 AromaticContact CE2-CE1 3.91Å; F138-F158 HydrophobicContact CE2-CE1 3.91Å; F138-F158 AromaticContact CE2-CZ 3.66Å; F138-F158 HydrophobicContact CE2-CZ 3.66Å; F138-F158 AromaticContact CG-CZ 3.89Å; F138-F158 HydrophobicContact CG-CZ 3.89Å; F138-F158 AromaticContact CZ-CE1 3.54Å; F138-F158 HydrophobicContact CZ-CE1 3.54Å; F138-F158 AromaticContact CZ-CZ 3.7Å; F138-F158 HydrophobicContact CZ-CZ 3.7Å; F138-W170 HydrophobicContact CB-CD2 4.27Å; F138-W170 HydrophobicContact CB-CE3 3.81Å; F138-W170 HydrophobicContact CB-CH2 4.14Å; F138-W170 HydrophobicContact CB-CZ3 3.74Å; F138-W170 HydrophobicContact CD1-CB 4.43Å; F138-W170 HydrophobicContact CD1-CD2 4.32Å; F138-W170 AromaticContact CD1-CE3 3.84Å; F138-W170 HydrophobicContact CD1-CE3 3.84Å; F138-W170 HydrophobicContact CD1-CZ3 4.48Å; F138-W170 HydrophobicContact CG-CE3 4.23Å; F138-S174 VanDerWaalsContact CD1-O 3.27Å; F138-S174 WeakPolarHBondContact CD1-O 3.39Å; F138-S174 VanDerWaalsContact CE1-O 3.23Å; F138-S174 WeakPolarHBondContact CE1-O 3.31Å
139	E	92.8	Very high	93.7	Very high	132 Å²	132	61.2 Å²	61.2	62%	0.617	32%	0.318	S	S	*	.			trans	-117.2	140.9	-175.7	-54.5	-168.2	161.9	0	0	110	L122 V137 W170	L122-E139 HydrophobicContact CD2-CG 3.92Å; V137-E139 HydrophobicContact CG1-CG 4.16Å; E139-W170 WeakPolarHBondContact O-CH2 3.49Å
140	G	90.2	Very high	93.8	Very high	43 Å²	43	55.9 Å²	55.9	44%	0.443	29%	0.294	S	S	.	.			trans	142	-2.3	174.2	0	0	0	0	0	116.8	K168	G140-K168 WeakPolarHBondContact O-CE 3.38Å; G140-K168 PolarHBondContact O-NZ 3.14Å
141	H	94.8	Very high	93.8	Very high	13 Å²	13	50.3 Å²	50.3	6%	0.06	27%	0.269	C	S	.	.			trans	-78.3	153.3	158.4	-84.5	-60.2	0	0	0	110.4	V145 S160 S162 D164 T166 K168	H141-V145 HydrophobicContact CB-CG2 3.92Å; H141-S160 PolarHBondContact CD2-OG 3.41Å; H141-S160 PolarHBondContact NE2-OG 3.48Å; H141-S162 WeakPolarHBondContact CE1-CB 3.49Å; H141-S162 WeakPolarHBondContact ND1-CB 3.28Å; H141-D164 VanDerWaalsContact CA-OD2 3.31Å; H141-D164 WeakPolarHBondContact CA-OD2 3.14Å; H141-D164 IonicContact CE1-OD1 3.67Å; H141-D164 IonicContact CE1-OD2 3.44Å; H141-D164 IonicContact CG-OD2 2.64Å; H141-D164 IonicContact ND1-OD1 2.67Å; H141-D164 PolarHBondContact ND1-OD1 2.93Å; H141-D164 IonicContact ND1-OD2 2.65Å; H141-D164 PolarHBondContact ND1-OD2 3.12Å; H141-T166 PolarHBondContact CE1-OG1 3.19Å; H141-K168 VanDerWaalsContact ND1-CE 3.31Å; H141-K168 WeakPolarHBondContact ND1-CE 3.48Å
142	T	94.4	Very high	93.7	Very high	108 Å²	108	42.5 Å²	42.5	66%	0.663	24%	0.238	S	C	*	.	S	Bend	trans	-115	7.1	-179.8	62.4	0	0	0	0	113.7	D164	T142-D164 PolarHBondContact N-OD2 3.36Å; T142-D164 VanDerWaalsContact OG1-CB 3.27Å; T142-D164 WeakPolarHBondContact OG1-CB 3.29Å
143	H	95.7	Very high	93.5	Very high	70 Å²	70	45.6 Å²	45.6	32%	0.324	25%	0.252	S	S	.	.	S	Bend	trans	-156.4	-178.1	174.6	-148.9	-13.6	0	0	0	109.8	V145 S162 L163 D164	H143-V145 PolarHBondContact O-N 3.47Å; H143-S162 VanDerWaalsContact C-OG 3.29Å; H143-S162 PolarHBondContact O-OG 2.81Å; H143-L163 HydrophobicContact CB-CB 4.08Å; H143-D164 HydrophobicContact CB-CB 4.01Å
144	Y	95.7	Very high	93.3	Very high	78 Å²	78	45 Å²	45	31%	0.306	25%	0.246	S	C	.	.			trans	-57.6	133	-168.2	-53.9	-18	0	0	0	112.5	D119 M146 S162 L163	D119-Y144 HydrophobicContact CB-CD1 3.65Å; D119-Y144 HydrophobicContact CB-CD2 4.36Å; D119-Y144 HydrophobicContact CB-CE1 3.94Å; D119-Y144 HydrophobicContact CB-CG 3.9Å; D119-Y144 VanDerWaalsContact O-CD1 3.27Å; D119-Y144 WeakPolarHBondContact O-CD1 3.33Å; D119-Y144 WeakPolarHBondContact OD1-CB 3.44Å; Y144-M146 PolarHBondContact O-N 3.38Å; Y144-S162 VanDerWaalsContact O-CA 3.23Å; Y144-S162 WeakPolarHBondContact O-CA 3.45Å; Y144-S162 WeakPolarHBondContact O-CB 3.4Å; Y144-S162 PolarHBondContact O-OG 3.47Å; Y144-S162 VanDerWaalsContact O-OG 3.07Å; Y144-L163 HydrophobicContact CD2-CD1 3.7Å; Y144-L163 HydrophobicContact CG-CD1 4.24Å; Y144-L163 PolarHBondContact O-N 3.09Å
145	V	96.7	Very high	93.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	93	-177.4	-172	0	0	0	0	109.5	R103 S117 S118 I123 H141 H143 I148 A161	R103-V145 WeakPolarHBondContact CB-O 3.4Å; S117-V145 WeakPolarHBondContact CB-O 3.4Å; S117-V145 PolarHBondContact OG-O 3.39Å; S118-V145 PolarHBondContact O-N 3.27Å; S118-V145 VanDerWaalsContact O-N 3.1Å; I123-V145 HydrophobicContact CD1-CG1 3.97Å; I123-V145 HydrophobicContact CG1-CB 4.49Å; I123-V145 HydrophobicContact CG1-CG1 3.93Å; I123-V145 HydrophobicContact CG1-CG2 4.38Å; H141-V145 HydrophobicContact CB-CG2 3.92Å; H143-V145 PolarHBondContact O-N 3.47Å; V145-I148 HydrophobicContact CG1-CG2 4.32Å; V145-A161 CarbonylContact C-O 3.45Å
146	M	95.5	Very high	93.2	Very high	39 Å²	39	45.2 Å²	45.2	19%	0.192	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-38.5	-165.9	-66.7	-70.4	-74.4	0	0	114	Y144 A161 L163 N189	Y144-M146 PolarHBondContact O-N 3.38Å; M146-A161 PolarHBondContact N-O 3.24Å; M146-L163 HydrophobicContact CE-CD2 4.39Å; M146-L163 HydrophobicContact CG-CD1 4.47Å; M146-L163 HydrophobicContact CG-CD2 3.71Å; M146-L163 HydrophobicContact CG-CG 3.74Å; M146-L163 HydrophobicContact SD-CD1 4.13Å; M146-L163 HydrophobicContact SD-CD2 4.15Å; M146-L163 HydrophobicContact SD-CG 4.04Å; M146-N189 VanDerWaalsContact CB-O 3.23Å; M146-N189 WeakPolarHBondContact CB-O 3.49Å
147	Q	95.6	Very high	93.3	Very high	46 Å²	46	44.8 Å²	44.8	22%	0.215	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	146.4	177.9	-170.3	-179.5	-6.4	0	0	111.5	V149 S160 A161 I191	Q147-V149 HydrophobicContact CG-CG2 4.26Å; Q147-S160 WeakPolarHBondContact O-CA 3.16Å; Q147-A161 PolarHBondContact O-N 3.25Å; Q147-I191 HydrophobicContact CB-CG2 4.19Å; Q147-I191 VanDerWaalsContact CD-O 3.29Å; Q147-I191 HydrophobicContact CG-CG2 4.21Å; Q147-I191 PolarHBondContact NE2-O 3.11Å; Q147-I191 PolarHBondContact OE1-O 3.09Å
148	I	96.4	Very high	93.3	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139	171.6	41.3	165.1	0	0	0	110.1	C104 A106 L115 I123 V145 A159	C104-I148 HydrophobicContact CB-CG1 3.84Å; A106-I148 HydrophobicContact CB-CD1 4.04Å; A106-I148 HydrophobicContact CB-CG1 4.22Å; L115-I148 VanDerWaalsContact C-CD1 3.41Å; L115-I148 HydrophobicContact CB-CD1 3.63Å; L115-I148 WeakPolarHBondContact O-CD1 3.47Å; I123-I148 HydrophobicContact CD1-CG2 3.93Å; I123-I148 HydrophobicContact CG1-CG2 4.32Å; I123-I148 HydrophobicContact CG2-CG2 4.18Å; V145-I148 HydrophobicContact CG1-CG2 4.32Å; I148-A159 WeakPolarHBondContact CA-O 3.36Å
149	V	95.1	Very high	93.3	Very high	25 Å²	25	42.4 Å²	42.4	15%	0.152	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	131.2	175.4	-178.5	0	0	0	0	110.2	Q147 F158 A159 I191 Y193	Q147-V149 HydrophobicContact CG-CG2 4.26Å; V149-F158 CarbonylContact O-C 3.59Å; V149-F158 WeakPolarHBondContact O-CA 3.33Å; V149-F158 WeakPolarHBondContact O-CB 3.25Å; V149-A159 PolarHBondContact N-O 3.05Å; V149-A159 PolarHBondContact O-N 2.83Å; V149-I191 HydrophobicContact CG2-CG2 4.25Å; V149-I191 VanDerWaalsContact CG2-O 3.25Å; V149-I191 WeakPolarHBondContact CG2-O 3.18Å; V149-Y193 HydrophobicContact CB-CD2 4.43Å; V149-Y193 HydrophobicContact CG1-CD2 4.09Å; V149-Y193 WeakPolarHBondContact O-CE2 3.17Å
150	I	94.5	Very high	93.5	Very high	16 Å²	16	36.1 Å²	36.1	8%	0.082	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	137.4	175.3	-63.6	168.7	0	0	0	109.3	A106 H108 L115 N155 F158	A106-I150 HydrophobicContact CB-CD1 4.22Å; A106-I150 HydrophobicContact CB-CG1 4.24Å; H108-I150 HydrophobicContact CB-CD1 3.9Å; L115-I150 HydrophobicContact CD1-CD1 4.01Å; L115-I150 HydrophobicContact CD1-CG1 3.81Å; I150-N155 HydrophobicContact CG2-CB 4.35Å; I150-F158 HydrophobicContact CB-CB 4.48Å; I150-F158 HydrophobicContact CG1-CB 4.05Å
151	N	92.6	Very high	93.8	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	17%	0.173	C	C	.	.			trans	-65.9	122.5	-178.3	176.3	-4.3	0	0	0	110.4	K153 D154 Q157 Y193	N151-K153 PolarHBondContact O-N 2.64Å; N151-K153 PolarHBondContact OD1-N 3Å; N151-D154 WeakPolarHBondContact CB-O 3.19Å; N151-D154 CarbonylContact O-C 3.59Å; N151-Q157 HydrophobicContact CB-CB 4.21Å; N151-Q157 WeakPolarHBondContact CB-O 3.49Å; N151-Q157 PolarHBondContact N-O 3.48Å; N151-Y193 HydrophobicContact CB-CD1 4.18Å; N151-Y193 HydrophobicContact CB-CD2 4.18Å; N151-Y193 HydrophobicContact CB-CE1 3.85Å; N151-Y193 HydrophobicContact CB-CE2 3.83Å; N151-Y193 HydrophobicContact CB-CG 4.34Å
152	P	88.8	Confident	93.9	Very high	25 Å²	25	33.5 Å²	33.5	16%	0.162	17%	0.17	C	C	.	.	S	Bend	trans	-63.9	-18.8	-179	24.2	-33.5	0	0	0	114.7
153	K	86.5	Confident	93.9	Very high	81 Å²	81	30.2 Å²	30.2	35%	0.352	15%	0.148	S	C	.	.	S	Bend	trans	-100.4	-31.8	-174.7	-56.3	-176.8	-175.2	-173.7	0	112.8	N151 Y194 G196 G197 K199	N151-K153 PolarHBondContact O-N 2.64Å; N151-K153 PolarHBondContact OD1-N 3Å; K153-Y194 WeakPolarHBondContact CE-O 3.43Å; K153-G196 WeakPolarHBondContact CE-O 3.39Å; K153-G196 PolarHBondContact NZ-O 3.2Å; K153-G197 WeakPolarHBondContact CE-O 3.33Å; K153-G197 PolarHBondContact NZ-O 3.11Å; K153-K199 PolarHBondContact NZ-O 3.5Å
154	D	88.3	Confident	93.8	Very high	58 Å²	58	28 Å²	28	31%	0.31	14%	0.139	S	C	.	.			trans	-135.3	98.1	172	173.7	15.6	0	0	0	109.1	N151 N156 Q157	N151-D154 WeakPolarHBondContact CB-O 3.19Å; N151-D154 CarbonylContact O-C 3.59Å; D154-N156 PolarHBondContact O-N 3.08Å; D154-N156 WeakPolarHBondContact OD1-CB 3.35Å; D154-N156 PolarHBondContact OD1-N 3.14Å; D154-N156 VanDerWaalsContact OD1-N 3.07Å; D154-Q157 PolarHBondContact O-N 3.44Å; D154-Q157 PolarHBondContact OD2-NE2 3.1Å
155	N	89.7	Confident	93.8	Very high	47 Å²	47	31.1 Å²	31.1	25%	0.251	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.9	-175.2	-51.4	-55.1	0	0	0	113.4	H108 P109 I150 Q157	H108-N155 PolarHBondContact CD2-O 2.9Å; H108-N155 VanDerWaalsContact NE2-CB 3.32Å; H108-N155 WeakPolarHBondContact NE2-CB 3.42Å; H108-N155 PolarHBondContact NE2-O 3.19Å; P109-N155 HydrophobicContact CG-CB 4.12Å; P109-N155 WeakPolarHBondContact CG-OD1 3.43Å; I150-N155 HydrophobicContact CG2-CB 4.35Å; N155-Q157 PolarHBondContact O-N 3.33Å
156	N	92.1	Very high	93.7	Very high	64 Å²	64	31.7 Å²	31.7	34%	0.342	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-13.5	174.3	-165.2	10.5	0	0	0	112.6	D154 Q171 L172	D154-N156 PolarHBondContact O-N 3.08Å; D154-N156 WeakPolarHBondContact OD1-CB 3.35Å; D154-N156 PolarHBondContact OD1-N 3.14Å; D154-N156 VanDerWaalsContact OD1-N 3.07Å; N156-Q171 PolarHBondContact ND2-NE2 3.48Å; N156-Q171 CarbonylContact O-C 3.53Å; N156-Q171 VanDerWaalsContact O-CA 3.31Å; N156-Q171 WeakPolarHBondContact O-CA 3.42Å; N156-L172 PolarHBondContact O-N 2.91Å
157	Q	93.3	Very high	93.7	Very high	39 Å²	39	30 Å²	30	18%	0.182	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	146	177.7	-71.6	-179.4	74	0	0	112	N151 D154 N155 W170	N151-Q157 HydrophobicContact CB-CB 4.21Å; N151-Q157 WeakPolarHBondContact CB-O 3.49Å; N151-Q157 PolarHBondContact N-O 3.48Å; D154-Q157 PolarHBondContact O-N 3.44Å; D154-Q157 PolarHBondContact OD2-NE2 3.1Å; N155-Q157 PolarHBondContact O-N 3.33Å; Q157-W170 VanDerWaalsContact CA-O 3.31Å; Q157-W170 WeakPolarHBondContact CA-O 3.5Å
158	F	95.6	Very high	93.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	156.7	172.1	69.8	-89	0	0	0	111.1	L115 I123 F138 V149 I150 V169 W170 L172	L115-F158 HydrophobicContact CD1-CB 3.96Å; L115-F158 HydrophobicContact CD1-CD1 3.61Å; L115-F158 HydrophobicContact CD1-CD2 3.93Å; L115-F158 HydrophobicContact CD1-CE1 4Å; L115-F158 HydrophobicContact CD1-CE2 4.29Å; L115-F158 HydrophobicContact CD1-CG 3.56Å; L115-F158 HydrophobicContact CD1-CZ 4.32Å; L115-F158 HydrophobicContact CD2-CE1 4.12Å; L115-F158 HydrophobicContact CD2-CZ 4.15Å; I123-F158 HydrophobicContact CD1-CE2 3.95Å; I123-F158 HydrophobicContact CG2-CE2 4.06Å; I123-F158 HydrophobicContact CG2-CZ 4.35Å; F138-F158 HydrophobicContact CD1-CE1 4.3Å; F138-F158 AromaticContact CD1-CZ 3.91Å; F138-F158 HydrophobicContact CD1-CZ 3.91Å; F138-F158 HydrophobicContact CD2-CE1 4.43Å; F138-F158 AromaticContact CD2-CZ 3.75Å; F138-F158 HydrophobicContact CD2-CZ 3.75Å; F138-F158 AromaticContact CE1-CE1 3.74Å; F138-F158 HydrophobicContact CE1-CE1 3.74Å; F138-F158 AromaticContact CE1-CZ 3.8Å; F138-F158 HydrophobicContact CE1-CZ 3.8Å; F138-F158 AromaticContact CE2-CE1 3.91Å; F138-F158 HydrophobicContact CE2-CE1 3.91Å; F138-F158 AromaticContact CE2-CZ 3.66Å; F138-F158 HydrophobicContact CE2-CZ 3.66Å; F138-F158 AromaticContact CG-CZ 3.89Å; F138-F158 HydrophobicContact CG-CZ 3.89Å; F138-F158 AromaticContact CZ-CE1 3.54Å; F138-F158 HydrophobicContact CZ-CE1 3.54Å; F138-F158 AromaticContact CZ-CZ 3.7Å; F138-F158 HydrophobicContact CZ-CZ 3.7Å; V149-F158 CarbonylContact O-C 3.59Å; V149-F158 WeakPolarHBondContact O-CA 3.33Å; V149-F158 WeakPolarHBondContact O-CB 3.25Å; I150-F158 HydrophobicContact CB-CB 4.48Å; I150-F158 HydrophobicContact CG1-CB 4.05Å; F158-V169 WeakPolarHBondContact O-CA 3.31Å; F158-W170 HydrophobicContact CD1-CB 4.04Å; F158-W170 HydrophobicContact CD2-CB 4.29Å; F158-W170 AromaticContact CD2-CD1 3.81Å; F158-W170 HydrophobicContact CD2-CG 4.33Å; F158-W170 HydrophobicContact CE1-CB 3.55Å; F158-W170 HydrophobicContact CE1-CG 4.26Å; F158-W170 HydrophobicContact CE2-CB 3.82Å; F158-W170 AromaticContact CE2-CD1 3.35Å; F158-W170 AromaticContact CE2-CG 3.67Å; F158-W170 HydrophobicContact CE2-CG 3.67Å; F158-W170 HydrophobicContact CG-CB 4.39Å; F158-W170 HydrophobicContact CZ-CB 3.43Å; F158-W170 VanDerWaalsContact CZ-CB 3.43Å; F158-W170 AromaticContact CZ-CD1 3.83Å; F158-W170 HydrophobicContact CZ-CD2 4.41Å; F158-W170 AromaticContact CZ-CG 3.63Å; F158-W170 HydrophobicContact CZ-CG 3.63Å; F158-W170 PolarHBondContact N-O 3.42Å; F158-W170 VanDerWaalsContact N-O 3.1Å; F158-W170 PolarHBondContact O-N 2.89Å; F158-L172 HydrophobicContact CD1-CD2 3.88Å; F158-L172 HydrophobicContact CE1-CD2 3.94Å
159	A	95.8	Very high	93.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	149	175.4	0	0	0	0	0	110.7	I148 V149 K168 V169 I191 Y193 L202	I148-A159 WeakPolarHBondContact CA-O 3.36Å; V149-A159 PolarHBondContact N-O 3.05Å; V149-A159 PolarHBondContact O-N 2.83Å; A159-K168 CarbonylContact C-O 3.57Å; A159-K168 VanDerWaalsContact CA-O 3.3Å; A159-K168 WeakPolarHBondContact CA-O 3.47Å; A159-V169 HydrophobicContact CB-CG2 4.14Å; A159-I191 HydrophobicContact CB-CD1 3.6Å; A159-I191 HydrophobicContact CB-CG1 4.43Å; A159-Y193 HydrophobicContact CB-CE2 3.56Å; A159-L202 HydrophobicContact CB-CD1 4.25Å; A159-L202 HydrophobicContact CB-CD2 4.09Å
160	S	96.4	Very high	93.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.4	174	58.6	0	0	0	0	111.5	I123 H141 Q147 I167 K168 W170	I123-S160 VanDerWaalsContact CD1-CB 3.44Å; H141-S160 PolarHBondContact CD2-OG 3.41Å; H141-S160 PolarHBondContact NE2-OG 3.48Å; Q147-S160 WeakPolarHBondContact O-CA 3.16Å; S160-I167 VanDerWaalsContact O-CA 3.31Å; S160-I167 WeakPolarHBondContact O-CA 3.34Å; S160-K168 PolarHBondContact N-O 2.7Å; S160-K168 PolarHBondContact O-N 2.98Å; S160-K168 PolarHBondContact OG-O 3.46Å; S160-W170 PolarHBondContact OG-NE1 2.9Å
161	A	96	Very high	93.7	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	-106.2	137.3	171.2	0	0	0	0	0	110.1	V145 M146 Q147 V188 I191	V145-A161 CarbonylContact C-O 3.45Å; M146-A161 PolarHBondContact N-O 3.24Å; Q147-A161 PolarHBondContact O-N 3.25Å; A161-V188 HydrophobicContact CB-CB 4Å; A161-V188 HydrophobicContact CB-CG1 3.69Å; A161-I191 HydrophobicContact CB-CB 4.06Å; A161-I191 HydrophobicContact CB-CG2 3.9Å
162	S	96.4	Very high	93.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	156.9	178.3	174.7	0	0	0	0	113	H141 H143 Y144 D164 R165 T166 V188	H141-S162 WeakPolarHBondContact CE1-CB 3.49Å; H141-S162 WeakPolarHBondContact ND1-CB 3.28Å; H143-S162 VanDerWaalsContact C-OG 3.29Å; H143-S162 PolarHBondContact O-OG 2.81Å; Y144-S162 VanDerWaalsContact O-CA 3.23Å; Y144-S162 WeakPolarHBondContact O-CA 3.45Å; Y144-S162 WeakPolarHBondContact O-CB 3.4Å; Y144-S162 PolarHBondContact O-OG 3.47Å; Y144-S162 VanDerWaalsContact O-OG 3.07Å; S162-D164 WeakPolarHBondContact CB-OD1 3.4Å; S162-D164 PolarHBondContact O-N 3.44Å; S162-D164 PolarHBondContact OG-N 3.35Å; S162-D164 VanDerWaalsContact OG-N 3.14Å; S162-R165 PolarHBondContact O-N 3.15Å; S162-T166 PolarHBondContact N-O 2.92Å; S162-V188 CarbonylContact C-O 3.58Å; S162-V188 PolarHBondContact O-N 3.49Å
163	L	95.7	Very high	93.5	Very high	39 Å²	39	32.6 Å²	32.6	20%	0.204	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-8.1	169.6	-59.9	-174.2	0	0	0	113.7	H143 Y144 M146 R165 G187	H143-L163 HydrophobicContact CB-CB 4.08Å; Y144-L163 HydrophobicContact CD2-CD1 3.7Å; Y144-L163 HydrophobicContact CG-CD1 4.24Å; Y144-L163 PolarHBondContact O-N 3.09Å; M146-L163 HydrophobicContact CE-CD2 4.39Å; M146-L163 HydrophobicContact CG-CD1 4.47Å; M146-L163 HydrophobicContact CG-CD2 3.71Å; M146-L163 HydrophobicContact CG-CG 3.74Å; M146-L163 HydrophobicContact SD-CD1 4.13Å; M146-L163 HydrophobicContact SD-CD2 4.15Å; M146-L163 HydrophobicContact SD-CG 4.04Å; L163-R165 PolarHBondContact O-N 2.9Å; L163-R165 VanDerWaalsContact O-N 3.13Å; L163-G187 WeakPolarHBondContact O-CA 3.45Å
164	D	94.1	Very high	93.7	Very high	24 Å²	24	30.1 Å²	30.1	13%	0.128	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	5.1	169.5	72.5	15.4	0	0	0	114.3	H141 T142 H143 S162 T166	H141-D164 VanDerWaalsContact CA-OD2 3.31Å; H141-D164 WeakPolarHBondContact CA-OD2 3.14Å; H141-D164 IonicContact CE1-OD1 3.67Å; H141-D164 IonicContact CE1-OD2 3.44Å; H141-D164 IonicContact CG-OD2 2.64Å; H141-D164 IonicContact ND1-OD1 2.67Å; H141-D164 PolarHBondContact ND1-OD1 2.93Å; H141-D164 IonicContact ND1-OD2 2.65Å; H141-D164 PolarHBondContact ND1-OD2 3.12Å; T142-D164 PolarHBondContact N-OD2 3.36Å; T142-D164 VanDerWaalsContact OG1-CB 3.27Å; T142-D164 WeakPolarHBondContact OG1-CB 3.29Å; H143-D164 HydrophobicContact CB-CB 4.01Å; S162-D164 WeakPolarHBondContact CB-OD1 3.4Å; S162-D164 PolarHBondContact O-N 3.44Å; S162-D164 PolarHBondContact OG-N 3.35Å; S162-D164 VanDerWaalsContact OG-N 3.14Å; D164-T166 PolarHBondContact O-N 3.47Å; D164-T166 WeakPolarHBondContact OD1-CA 3.2Å; D164-T166 VanDerWaalsContact OD1-CB 3.27Å; D164-T166 WeakPolarHBondContact OD1-CB 3.4Å; D164-T166 WeakPolarHBondContact OD1-CG2 3.3Å; D164-T166 PolarHBondContact OD1-N 3.25Å; D164-T166 PolarHBondContact OD1-OG1 3.45Å
165	R	94.6	Very high	93.6	Very high	143 Å²	143	31.2 Å²	31.2	54%	0.54	18%	0.177	S	C	.	.	S	Bend	trans	72.6	3.7	-179.8	-37.4	-179	-169.9	177	3.2	114.3	S162 L163 E185 K186	S162-R165 PolarHBondContact O-N 3.15Å; L163-R165 PolarHBondContact O-N 2.9Å; L163-R165 VanDerWaalsContact O-N 3.13Å; R165-E185 WeakPolarHBondContact CD-O 3.29Å; R165-E185 PolarHBondContact NE-O 3.42Å; R165-E185 PolarHBondContact NH1-O 2.96Å; R165-K186 WeakPolarHBondContact CB-O 3.24Å; R165-K186 WeakPolarHBondContact CG-O 3.33Å
166	T	94.9	Very high	93.6	Very high	13 Å²	13	32.3 Å²	32.3	8%	0.08	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	154.5	-178.2	81.4	0	0	0	0	112.1	H141 S162 D164 K168 T180 L181 E182	H141-T166 PolarHBondContact CE1-OG1 3.19Å; S162-T166 PolarHBondContact N-O 2.92Å; D164-T166 PolarHBondContact O-N 3.47Å; D164-T166 WeakPolarHBondContact OD1-CA 3.2Å; D164-T166 VanDerWaalsContact OD1-CB 3.27Å; D164-T166 WeakPolarHBondContact OD1-CB 3.4Å; D164-T166 WeakPolarHBondContact OD1-CG2 3.3Å; D164-T166 PolarHBondContact OD1-N 3.25Å; D164-T166 PolarHBondContact OD1-OG1 3.45Å; T166-K168 VanDerWaalsContact OG1-CE 3.28Å; T166-K168 WeakPolarHBondContact OG1-CE 3.43Å; T166-T180 VanDerWaalsContact CB-CG2 3.48Å; T166-T180 HydrophobicContact CG2-CG2 3.94Å; T166-L181 WeakPolarHBondContact CA-O 3.37Å; T166-E182 HydrophobicContact CG2-CG 4Å
167	I	96.3	Very high	93.6	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.7	166.6	-66.2	160.4	0	0	0	106.7	S160 T180 L181 V188 I191 L202 S204	S160-I167 VanDerWaalsContact O-CA 3.31Å; S160-I167 WeakPolarHBondContact O-CA 3.34Å; I167-T180 CarbonylContact O-C 3.51Å; I167-T180 WeakPolarHBondContact O-CA 3.43Å; I167-L181 HydrophobicContact CB-CB 4.24Å; I167-L181 HydrophobicContact CG2-CD1 4.39Å; I167-L181 PolarHBondContact N-O 2.79Å; I167-L181 PolarHBondContact O-N 2.93Å; I167-V188 HydrophobicContact CG1-CG1 4.31Å; I167-V188 HydrophobicContact CG1-CG2 4.4Å; I167-I191 HydrophobicContact CB-CD1 4.35Å; I167-I191 HydrophobicContact CD1-CD1 4.33Å; I167-I191 HydrophobicContact CG1-CD1 4.16Å; I167-I191 HydrophobicContact CG2-CD1 3.33Å; I167-L202 HydrophobicContact CG2-CD1 4.46Å; I167-S204 VanDerWaalsContact CD1-CB 3.49Å; I167-S204 WeakPolarHBondContact CD1-OG 3.46Å
168	K	95.7	Very high	93.6	Very high	21 Å²	21	32.2 Å²	32.2	9%	0.091	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.5	178.1	-66.3	178.5	-165.8	-73.7	0	109.5	G140 H141 A159 S160 T166 W170 P177 T180	G140-K168 WeakPolarHBondContact O-CE 3.38Å; G140-K168 PolarHBondContact O-NZ 3.14Å; H141-K168 VanDerWaalsContact ND1-CE 3.31Å; H141-K168 WeakPolarHBondContact ND1-CE 3.48Å; A159-K168 CarbonylContact C-O 3.57Å; A159-K168 VanDerWaalsContact CA-O 3.3Å; A159-K168 WeakPolarHBondContact CA-O 3.47Å; S160-K168 PolarHBondContact N-O 2.7Å; S160-K168 PolarHBondContact O-N 2.98Å; S160-K168 PolarHBondContact OG-O 3.46Å; T166-K168 VanDerWaalsContact OG1-CE 3.28Å; T166-K168 WeakPolarHBondContact OG1-CE 3.43Å; K168-W170 HydrophobicContact CB-CZ2 3.79Å; K168-W170 HydrophobicContact CD-CH2 4.28Å; K168-W170 HydrophobicContact CD-CZ2 3.75Å; K168-W170 HydrophobicContact CG-CZ2 4.39Å; K168-W170 PolarHBondContact O-NE1 3.13Å; K168-P177 HydrophobicContact CB-CB 4.17Å; K168-P177 HydrophobicContact CD-CG 4.45Å; K168-T180 HydrophobicContact CG-CG2 4.06Å; K168-T180 PolarHBondContact NZ-OG1 3.15Å
169	V	95.6	Very high	93.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.6	173.3	179.5	0	0	0	0	107.9	F158 A159 P177 N178 F179 L202	F158-V169 WeakPolarHBondContact O-CA 3.31Å; A159-V169 HydrophobicContact CB-CG2 4.14Å; V169-P177 CarbonylContact O-C 3.6Å; V169-N178 PolarHBondContact O-N 3.02Å; V169-F179 HydrophobicContact CB-CD1 4.44Å; V169-F179 HydrophobicContact CB-CD2 4.28Å; V169-F179 HydrophobicContact CB-CE1 3.97Å; V169-F179 HydrophobicContact CB-CE2 3.8Å; V169-F179 HydrophobicContact CB-CZ 3.62Å; V169-F179 HydrophobicContact CG1-CE1 4.05Å; V169-F179 HydrophobicContact CG1-CZ 3.87Å; V169-F179 HydrophobicContact CG2-CD2 4.26Å; V169-F179 HydrophobicContact CG2-CE1 4.46Å; V169-F179 HydrophobicContact CG2-CE2 3.5Å; V169-F179 VanDerWaalsContact CG2-CE2 3.5Å; V169-F179 HydrophobicContact CG2-CZ 3.62Å; V169-F179 PolarHBondContact N-O 3.43Å; V169-L202 HydrophobicContact CG2-CD1 3.95Å
170	W	95.3	Very high	93.4	Very high	2 Å²	2	36 Å²	36	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	164.9	-172.5	-48.7	83.3	0	0	0	109.9	I123 F138 E139 Q157 F158 S160 K168 P177	I123-W170 HydrophobicContact CD1-CZ2 4.38Å; F138-W170 HydrophobicContact CB-CD2 4.27Å; F138-W170 HydrophobicContact CB-CE3 3.81Å; F138-W170 HydrophobicContact CB-CH2 4.14Å; F138-W170 HydrophobicContact CB-CZ3 3.74Å; F138-W170 HydrophobicContact CD1-CB 4.43Å; F138-W170 HydrophobicContact CD1-CD2 4.32Å; F138-W170 AromaticContact CD1-CE3 3.84Å; F138-W170 HydrophobicContact CD1-CE3 3.84Å; F138-W170 HydrophobicContact CD1-CZ3 4.48Å; F138-W170 HydrophobicContact CG-CE3 4.23Å; E139-W170 WeakPolarHBondContact O-CH2 3.49Å; Q157-W170 VanDerWaalsContact CA-O 3.31Å; Q157-W170 WeakPolarHBondContact CA-O 3.5Å; F158-W170 HydrophobicContact CD1-CB 4.04Å; F158-W170 HydrophobicContact CD2-CB 4.29Å; F158-W170 AromaticContact CD2-CD1 3.81Å; F158-W170 HydrophobicContact CD2-CG 4.33Å; F158-W170 HydrophobicContact CE1-CB 3.55Å; F158-W170 HydrophobicContact CE1-CG 4.26Å; F158-W170 HydrophobicContact CE2-CB 3.82Å; F158-W170 AromaticContact CE2-CD1 3.35Å; F158-W170 AromaticContact CE2-CG 3.67Å; F158-W170 HydrophobicContact CE2-CG 3.67Å; F158-W170 HydrophobicContact CG-CB 4.39Å; F158-W170 HydrophobicContact CZ-CB 3.43Å; F158-W170 VanDerWaalsContact CZ-CB 3.43Å; F158-W170 AromaticContact CZ-CD1 3.83Å; F158-W170 HydrophobicContact CZ-CD2 4.41Å; F158-W170 AromaticContact CZ-CG 3.63Å; F158-W170 HydrophobicContact CZ-CG 3.63Å; F158-W170 PolarHBondContact N-O 3.42Å; F158-W170 VanDerWaalsContact N-O 3.1Å; F158-W170 PolarHBondContact O-N 2.89Å; S160-W170 PolarHBondContact OG-NE1 2.9Å; K168-W170 HydrophobicContact CB-CZ2 3.79Å; K168-W170 HydrophobicContact CD-CH2 4.28Å; K168-W170 HydrophobicContact CD-CZ2 3.75Å; K168-W170 HydrophobicContact CG-CZ2 4.39Å; K168-W170 PolarHBondContact O-NE1 3.13Å; W170-P177 HydrophobicContact CD2-CB 3.87Å; W170-P177 HydrophobicContact CE3-CB 3.69Å; W170-P177 HydrophobicContact CE3-CG 4.35Å; W170-P177 HydrophobicContact CH2-CB 4.15Å; W170-P177 HydrophobicContact CH2-CG 4.19Å; W170-P177 HydrophobicContact CZ2-CB 4.29Å; W170-P177 HydrophobicContact CZ3-CB 3.85Å; W170-P177 VanDerWaalsContact CZ3-CD 3.47Å; W170-P177 HydrophobicContact CZ3-CG 4.01Å
171	Q	93.9	Very high	93.3	Very high	71 Å²	71	36.2 Å²	36.2	33%	0.332	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.8	170.3	-172.1	170.3	10.8	0	0	108.6	N156 G173 S174	N156-Q171 PolarHBondContact ND2-NE2 3.48Å; N156-Q171 CarbonylContact O-C 3.53Å; N156-Q171 VanDerWaalsContact O-CA 3.31Å; N156-Q171 WeakPolarHBondContact O-CA 3.42Å; Q171-G173 PolarHBondContact O-N 2.98Å; Q171-G173 VanDerWaalsContact O-N 3.08Å; Q171-S174 PolarHBondContact O-N 3.03Å
172	L	90.2	Very high	93	Very high	11 Å²	11	42.9 Å²	42.9	6%	0.058	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-34.1	-170.5	-67.8	174.3	0	0	0	113.2	Y113 L115 L125 Q136 N156 F158	Y113-L172 HydrophobicContact CD2-CD1 4.25Å; Y113-L172 HydrophobicContact CE2-CD1 4.5Å; L115-L172 HydrophobicContact CD1-CD2 4.18Å; L115-L172 HydrophobicContact CD2-CD2 4.21Å; L115-L172 HydrophobicContact CG-CD2 4.48Å; L125-L172 HydrophobicContact CD1-CD2 4Å; L125-L172 HydrophobicContact CD2-CD2 4.38Å; Q136-L172 VanDerWaalsContact CD-O 3.31Å; Q136-L172 PolarHBondContact NE2-O 3.24Å; Q136-L172 PolarHBondContact OE1-O 3.29Å; N156-L172 PolarHBondContact O-N 2.91Å; F158-L172 HydrophobicContact CD1-CD2 3.88Å; F158-L172 HydrophobicContact CE1-CD2 3.94Å
173	G	87.4	Confident	92.6	Very high	70 Å²	70	45 Å²	45	72%	0.722	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	9.3	176.8	0	0	0	0	0	116.5	Q171	Q171-G173 PolarHBondContact O-N 2.98Å; Q171-G173 VanDerWaalsContact O-N 3.08Å
174	S	89.9	Confident	92.4	Very high	29 Å²	29	43.7 Å²	43.7	20%	0.203	26%	0.259	C	S	.	.			trans	-125.3	125.4	179.7	-178.6	0	0	0	0	111.6	Q136 F138 Q171 S176	Q136-S174 VanDerWaalsContact NE2-C 3.25Å; Q136-S174 PolarHBondContact NE2-O 3.24Å; Q136-S174 VanDerWaalsContact NE2-O 3.16Å; F138-S174 VanDerWaalsContact CD1-O 3.27Å; F138-S174 WeakPolarHBondContact CD1-O 3.39Å; F138-S174 VanDerWaalsContact CE1-O 3.23Å; F138-S174 WeakPolarHBondContact CE1-O 3.31Å; Q171-S174 PolarHBondContact O-N 3.03Å; S174-S176 VanDerWaalsContact C-N 3.26Å; S174-S176 PolarHBondContact O-N 2.92Å; S174-S176 PolarHBondContact OG-N 2.91Å; S174-S176 PolarHBondContact OG-O 3.37Å; S174-S176 PolarHBondContact OG-OG 2.88Å
175	S	86.4	Confident	92.3	Very high	81 Å²	81	50 Å²	50	57%	0.566	29%	0.287	S	S	*	.	S	Bend	trans	-73.5	-17.2	173.8	55.2	0	0	0	0	113.4
176	S	89.1	Confident	92.3	Very high	69 Å²	69	48 Å²	48	48%	0.483	28%	0.282	S	S	.	.	S	Bend	trans	-102	149.1	174.8	62.1	0	0	0	0	111.9	S174	S174-S176 VanDerWaalsContact C-N 3.26Å; S174-S176 PolarHBondContact O-N 2.92Å; S174-S176 PolarHBondContact OG-N 2.91Å; S174-S176 PolarHBondContact OG-O 3.37Å; S174-S176 PolarHBondContact OG-OG 2.88Å
177	P	93.3	Very high	92.2	Very high	39 Å²	39	47.7 Å²	47.7	25%	0.253	28%	0.283	S	S	.	.			trans	-75.7	138.5	179.9	30.4	-33	0	0	0	111.2	K168 V169 W170 F179	K168-P177 HydrophobicContact CB-CB 4.17Å; K168-P177 HydrophobicContact CD-CG 4.45Å; V169-P177 CarbonylContact O-C 3.6Å; W170-P177 HydrophobicContact CD2-CB 3.87Å; W170-P177 HydrophobicContact CE3-CB 3.69Å; W170-P177 HydrophobicContact CE3-CG 4.35Å; W170-P177 HydrophobicContact CH2-CB 4.15Å; W170-P177 HydrophobicContact CH2-CG 4.19Å; W170-P177 HydrophobicContact CZ2-CB 4.29Å; W170-P177 HydrophobicContact CZ3-CB 3.85Å; W170-P177 VanDerWaalsContact CZ3-CD 3.47Å; W170-P177 HydrophobicContact CZ3-CG 4.01Å; P177-F179 VanDerWaalsContact C-N 3.27Å; P177-F179 PolarHBondContact O-N 3.48Å
178	N	92.4	Very high	92.2	Very high	63 Å²	63	47.6 Å²	47.6	34%	0.337	28%	0.282	S	S	.	.	S	Bend	trans	-61.5	-36.7	177.7	-69.8	-1	0	0	0	111.8	V169	V169-N178 PolarHBondContact O-N 3.02Å
179	F	93.4	Very high	92.2	Very high	31 Å²	31	47.5 Å²	47.5	14%	0.136	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	163.1	169.8	51.3	-86.3	0	0	0	111.2	V169 P177 L181 Y216 K219	V169-F179 HydrophobicContact CB-CD1 4.44Å; V169-F179 HydrophobicContact CB-CD2 4.28Å; V169-F179 HydrophobicContact CB-CE1 3.97Å; V169-F179 HydrophobicContact CB-CE2 3.8Å; V169-F179 HydrophobicContact CB-CZ 3.62Å; V169-F179 HydrophobicContact CG1-CE1 4.05Å; V169-F179 HydrophobicContact CG1-CZ 3.87Å; V169-F179 HydrophobicContact CG2-CD2 4.26Å; V169-F179 HydrophobicContact CG2-CE1 4.46Å; V169-F179 HydrophobicContact CG2-CE2 3.5Å; V169-F179 VanDerWaalsContact CG2-CE2 3.5Å; V169-F179 HydrophobicContact CG2-CZ 3.62Å; V169-F179 PolarHBondContact N-O 3.43Å; P177-F179 VanDerWaalsContact C-N 3.27Å; P177-F179 PolarHBondContact O-N 3.48Å; F179-L181 HydrophobicContact CD2-CD2 3.93Å; F179-L181 HydrophobicContact CD2-CG 4.12Å; F179-L181 HydrophobicContact CE2-CD1 4.38Å; F179-L181 HydrophobicContact CE2-CD2 4.09Å; F179-L181 HydrophobicContact CE2-CG 4.17Å; F179-Y216 HydrophobicContact CZ-CD2 4.39Å; F179-Y216 VanDerWaalsContact CZ-O 3.29Å; F179-Y216 WeakPolarHBondContact CZ-O 3.27Å; F179-K219 HydrophobicContact CB-CD 4.21Å; F179-K219 HydrophobicContact CD2-CD 4.27Å; F179-K219 HydrophobicContact CD2-CG 4.29Å; F179-K219 HydrophobicContact CG-CD 4.18Å
180	T	94.2	Very high	92.2	Very high	47 Å²	47	47.5 Å²	47.5	29%	0.288	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.4	169.8	-57.7	0	0	0	0	108.6	T166 I167 K168 E182	T166-T180 VanDerWaalsContact CB-CG2 3.48Å; T166-T180 HydrophobicContact CG2-CG2 3.94Å; I167-T180 CarbonylContact O-C 3.51Å; I167-T180 WeakPolarHBondContact O-CA 3.43Å; K168-T180 HydrophobicContact CG-CG2 4.06Å; K168-T180 PolarHBondContact NZ-OG1 3.15Å; T180-E182 HydrophobicContact CG2-CG 3.97Å
181	L	93.5	Very high	92.2	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.2	168.5	-53.2	173.1	0	0	0	108.6	T166 I167 F179 L202 W214 K219	T166-L181 WeakPolarHBondContact CA-O 3.37Å; I167-L181 HydrophobicContact CB-CB 4.24Å; I167-L181 HydrophobicContact CG2-CD1 4.39Å; I167-L181 PolarHBondContact N-O 2.79Å; I167-L181 PolarHBondContact O-N 2.93Å; F179-L181 HydrophobicContact CD2-CD2 3.93Å; F179-L181 HydrophobicContact CD2-CG 4.12Å; F179-L181 HydrophobicContact CE2-CD1 4.38Å; F179-L181 HydrophobicContact CE2-CD2 4.09Å; F179-L181 HydrophobicContact CE2-CG 4.17Å; L181-L202 HydrophobicContact CD1-CD1 4.29Å; L181-W214 HydrophobicContact CB-CE3 4.3Å; L181-W214 HydrophobicContact CB-CZ3 4.48Å; L181-W214 HydrophobicContact CD1-CB 3.94Å; L181-W214 HydrophobicContact CD1-CD2 4.29Å; L181-W214 HydrophobicContact CD1-CE3 4.42Å; L181-W214 HydrophobicContact CD1-CG 4.1Å; L181-K219 HydrophobicContact CD2-CB 3.74Å; L181-K219 HydrophobicContact CD2-CG 4.06Å
182	E	91.6	Very high	92.3	Very high	139 Å²	139	45.3 Å²	45.3	65%	0.65	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.5	-175.3	-56.6	-174	176.3	0	0	109.9	T166 T180 W214	T166-E182 HydrophobicContact CG2-CG 4Å; T180-E182 HydrophobicContact CG2-CG 3.97Å; E182-W214 WeakPolarHBondContact O-CH2 3.24Å
183	G	86.3	Confident	92.4	Very high	45 Å²	45	44.9 Å²	44.9	46%	0.464	27%	0.271	S	S	.	.			trans	144.7	7.2	175.7	0	0	0	0	0	116.9	K212	G183-K212 VanDerWaalsContact O-CE 3.24Å; G183-K212 WeakPolarHBondContact O-CE 3.26Å
184	H	92.6	Very high	92.6	Very high	11 Å²	11	42.4 Å²	42.4	5%	0.051	24%	0.24	C	C	.	.			trans	-82	146.7	158.4	-83.3	-74.7	0	0	0	110.2	V188 S204 A206 D208	H184-V188 HydrophobicContact CB-CG2 4.2Å; H184-S204 PolarHBondContact NE2-OG 2.94Å; H184-A206 HydrophobicContact CB-CB 4.27Å; H184-A206 VanDerWaalsContact ND1-CB 3.33Å; H184-A206 WeakPolarHBondContact ND1-CB 3.5Å; H184-D208 WeakPolarHBondContact CA-OD2 3.38Å; H184-D208 WeakPolarHBondContact CB-OD2 3.45Å; H184-D208 IonicContact CE1-OD1 3.15Å; H184-D208 IonicContact CG-OD2 3.04Å; H184-D208 IonicContact ND1-OD1 2.77Å; H184-D208 PolarHBondContact ND1-OD1 3.17Å; H184-D208 IonicContact ND1-OD2 2.65Å; H184-D208 PolarHBondContact ND1-OD2 2.86Å
185	E	91.9	Very high	92.2	Very high	157 Å²	157	42.6 Å²	42.6	73%	0.734	24%	0.241	S	C	*	.	S	Bend	trans	-80.4	-21.9	-179.7	-66.2	-166.6	165.7	0	0	112.7	R165 D208	R165-E185 WeakPolarHBondContact CD-O 3.29Å; R165-E185 PolarHBondContact NE-O 3.42Å; R165-E185 PolarHBondContact NH1-O 2.96Å; E185-D208 HydrophobicContact CB-CB 4.21Å; E185-D208 PolarHBondContact N-OD2 3.35Å
186	K	94.4	Very high	91.5	Very high	100 Å²	100	38.8 Å²	38.8	44%	0.435	22%	0.215	S	C	.	.	S	Bend	trans	-129.9	-178.1	178.2	-58.4	-170	-158.6	160.5	0	111	R165 D207 D208	R165-K186 WeakPolarHBondContact CB-O 3.24Å; R165-K186 WeakPolarHBondContact CG-O 3.33Å; K186-D207 HydrophobicContact CB-CB 3.88Å; K186-D207 HydrophobicContact CD-CB 3.63Å; K186-D207 WeakPolarHBondContact CD-O 3.25Å; K186-D207 WeakPolarHBondContact CE-O 3.37Å; K186-D207 HydrophobicContact CG-CB 4.46Å; K186-D207 PolarHBondContact NZ-O 2.58Å; K186-D208 HydrophobicContact CB-CB 4.44Å; K186-D208 HydrophobicContact CG-CB 4.33Å
187	G	92.8	Very high	90.6	Very high	8 Å²	8	36.7 Å²	36.7	8%	0.082	20%	0.204	C	C	.	.			trans	-57.9	144	178.9	0	0	0	0	0	113.6	L163 A206 D207	L163-G187 WeakPolarHBondContact O-CA 3.45Å; G187-A206 WeakPolarHBondContact O-CA 3.31Å; G187-A206 VanDerWaalsContact O-CB 3.23Å; G187-A206 WeakPolarHBondContact O-CB 3.4Å; G187-D207 PolarHBondContact O-N 2.92Å
188	V	96.6	Very high	89.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.9	177.9	-168.7	0	0	0	0	108.5	A161 S162 I167 H184	A161-V188 HydrophobicContact CB-CB 4Å; A161-V188 HydrophobicContact CB-CG1 3.69Å; S162-V188 CarbonylContact C-O 3.58Å; S162-V188 PolarHBondContact O-N 3.49Å; I167-V188 HydrophobicContact CG1-CG1 4.31Å; I167-V188 HydrophobicContact CG1-CG2 4.4Å; H184-V188 HydrophobicContact CB-CG2 4.2Å
189	N	95.5	Very high	89	Confident	19 Å²	19	42 Å²	42	10%	0.102	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-37.8	-177.2	-67.6	-35.9	0	0	0	112	M146 G205 D207 V232	M146-N189 VanDerWaalsContact CB-O 3.23Å; M146-N189 WeakPolarHBondContact CB-O 3.49Å; N189-G205 PolarHBondContact N-O 3.03Å; N189-D207 PolarHBondContact ND2-OD1 3.46Å; N189-V232 WeakPolarHBondContact CB-O 3.5Å; N189-V232 PolarHBondContact ND2-O 3.4Å
190	C	94.8	Very high	88.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	153.9	-167.3	55.2	0	0	0	0	112.7	S204 G205 C234	C190-S204 VanDerWaalsContact O-CA 3.27Å; C190-S204 WeakPolarHBondContact O-CA 3.45Å; C190-G205 PolarHBondContact N-O 2.73Å; C190-G205 PolarHBondContact O-N 3.15Å; C190-G205 VanDerWaalsContact SG-CA 3.52Å; C190-G205 PolarHBondContact SG-O 3.15Å; C190-C234 VanDerWaalsContact SG-CA 3.51Å
191	I	96.3	Very high	88.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	146.8	-177.3	-173.8	159.4	0	0	0	110.8	Q147 V149 A159 A161 I167 L202 I203	Q147-I191 HydrophobicContact CB-CG2 4.19Å; Q147-I191 VanDerWaalsContact CD-O 3.29Å; Q147-I191 HydrophobicContact CG-CG2 4.21Å; Q147-I191 PolarHBondContact NE2-O 3.11Å; Q147-I191 PolarHBondContact OE1-O 3.09Å; V149-I191 HydrophobicContact CG2-CG2 4.25Å; V149-I191 VanDerWaalsContact CG2-O 3.25Å; V149-I191 WeakPolarHBondContact CG2-O 3.18Å; A159-I191 HydrophobicContact CB-CD1 3.6Å; A159-I191 HydrophobicContact CB-CG1 4.43Å; A161-I191 HydrophobicContact CB-CB 4.06Å; A161-I191 HydrophobicContact CB-CG2 3.9Å; I167-I191 HydrophobicContact CB-CD1 4.35Å; I167-I191 HydrophobicContact CD1-CD1 4.33Å; I167-I191 HydrophobicContact CG1-CD1 4.16Å; I167-I191 HydrophobicContact CG2-CD1 3.33Å; I191-L202 HydrophobicContact CD1-CD1 4.45Å; I191-L202 HydrophobicContact CD1-CD2 3.97Å; I191-L202 HydrophobicContact CG1-CD2 3.93Å; I191-I203 CarbonylContact C-O 3.58Å; I191-I203 VanDerWaalsContact CA-O 3.26Å; I191-I203 WeakPolarHBondContact CA-O 3.46Å
192	D	95.2	Very high	88.8	Confident	26 Å²	26	40.9 Å²	40.9	14%	0.139	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.5	168.7	-164.7	14.2	0	0	0	111.3	L202 I203 S236 F237	D192-L202 WeakPolarHBondContact O-CD2 3.41Å; D192-I203 HydrophobicContact CB-CG2 4Å; D192-I203 PolarHBondContact N-O 3.16Å; D192-I203 PolarHBondContact O-N 3.07Å; D192-S236 WeakPolarHBondContact OD2-CA 3.49Å; D192-S236 VanDerWaalsContact OD2-CB 3.3Å; D192-S236 WeakPolarHBondContact OD2-CB 3.45Å; D192-S236 PolarHBondContact OD2-OG 2.97Å; D192-F237 PolarHBondContact OD2-N 3.32Å
193	Y	93.3	Very high	89	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	141.3	175.6	-87.8	-84.4	0	0	0	111.1	V149 N151 A159 S195 L202 Y216 F237	V149-Y193 HydrophobicContact CB-CD2 4.43Å; V149-Y193 HydrophobicContact CG1-CD2 4.09Å; V149-Y193 WeakPolarHBondContact O-CE2 3.17Å; N151-Y193 HydrophobicContact CB-CD1 4.18Å; N151-Y193 HydrophobicContact CB-CD2 4.18Å; N151-Y193 HydrophobicContact CB-CE1 3.85Å; N151-Y193 HydrophobicContact CB-CE2 3.83Å; N151-Y193 HydrophobicContact CB-CG 4.34Å; A159-Y193 HydrophobicContact CB-CE2 3.56Å; Y193-S195 PolarHBondContact O-N 3.13Å; Y193-L202 HydrophobicContact CD1-CD2 3.52Å; Y193-L202 HydrophobicContact CD1-CG 3.92Å; Y193-L202 HydrophobicContact CD2-CD2 3.68Å; Y193-L202 HydrophobicContact CE1-CD1 4.24Å; Y193-L202 HydrophobicContact CE1-CD2 3.59Å; Y193-L202 HydrophobicContact CE1-CG 3.77Å; Y193-L202 HydrophobicContact CE2-CD2 3.75Å; Y193-L202 HydrophobicContact CG-CD2 3.57Å; Y193-L202 HydrophobicContact CG-CG 4.45Å; Y193-Y216 HydrophobicContact CD1-CD1 4.41Å; Y193-Y216 HydrophobicContact CD1-CE1 4.09Å; Y193-Y216 HydrophobicContact CE1-CD1 4.02Å; Y193-Y216 AromaticContact CE1-CE1 3.88Å; Y193-Y216 HydrophobicContact CE1-CE1 3.88Å; Y193-F237 VanDerWaalsContact C-CD2 3.49Å
194	Y	90.4	Very high	89.5	Confident	19 Å²	19	32.1 Å²	32.1	8%	0.075	17%	0.165	C	C	.	.			trans	-70	116.5	170.8	-177.5	-124.3	0	0	0	110.4	K153 G196 K199 Y201 F237	K153-Y194 WeakPolarHBondContact CE-O 3.43Å; Y194-G196 VanDerWaalsContact CD1-O 3.24Å; Y194-G196 WeakPolarHBondContact CD1-O 3.47Å; Y194-G196 WeakPolarHBondContact CE1-O 3.37Å; Y194-K199 HydrophobicContact CD1-CB 3.81Å; Y194-K199 HydrophobicContact CE1-CB 3.85Å; Y194-K199 HydrophobicContact CE1-CD 4.11Å; Y194-K199 HydrophobicContact CE1-CG 4.28Å; Y194-Y201 WeakPolarHBondContact CB-O 3.25Å; Y194-Y201 PolarHBondContact N-O 2.75Å; Y194-F237 VanDerWaalsContact CA-CD2 3.49Å; Y194-F237 HydrophobicContact CD2-CB 4.18Å; Y194-F237 AromaticContact CD2-CD1 3.57Å; Y194-F237 HydrophobicContact CD2-CD1 3.57Å; Y194-F237 HydrophobicContact CD2-CD2 4.45Å; Y194-F237 AromaticContact CD2-CE1 3.95Å; Y194-F237 HydrophobicContact CD2-CE1 3.95Å; Y194-F237 AromaticContact CD2-CG 3.84Å; Y194-F237 HydrophobicContact CD2-CG 3.84Å; Y194-F237 HydrophobicContact CE2-CD1 4.39Å; Y194-F237 HydrophobicContact CG-CD1 4.32Å; Y194-F237 HydrophobicContact CG-CE1 4.35Å; Y194-F237 HydrophobicContact CG-CG 4.47Å
195	S	81.9	Confident	89.6	Confident	33 Å²	33	31.6 Å²	31.6	23%	0.231	16%	0.163	C	C	.	.			trans	-91.4	-13.9	-172.5	39.8	0	0	0	0	114.6	Y193	Y193-S195 PolarHBondContact O-N 3.13Å
196	G	71.7	Confident	89.8	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.01	13%	0.128	C	C	.	.	S	Bend	trans	-92	162	177.7	0	0	0	0	0	114.9	K153 Y194 H319	K153-G196 WeakPolarHBondContact CE-O 3.39Å; K153-G196 PolarHBondContact NZ-O 3.2Å; Y194-G196 VanDerWaalsContact CD1-O 3.24Å; Y194-G196 WeakPolarHBondContact CD1-O 3.47Å; Y194-G196 WeakPolarHBondContact CE1-O 3.37Å; G196-H319 WeakPolarHBondContact CA-CE1 3.32Å
197	G	69.9	Low	89.8	Confident	25 Å²	25	21.4 Å²	21.4	26%	0.258	12%	0.118	S	C	.	.	S	Bend	trans	41.8	-153.5	171.3	0	0	0	0	0	117.3	K153 E321	K153-G197 WeakPolarHBondContact CE-O 3.33Å; K153-G197 PolarHBondContact NZ-O 3.11Å; G197-E321 WeakPolarHBondContact CA-OE1 3.39Å
198	D	70.1	Confident	89.9	Confident	142 Å²	142	22.1 Å²	22.1	76%	0.759	12%	0.12	S	C	*	.	S	Bend	trans	-86.8	-23.4	-179.7	-167.2	38.6	0	0	0	114.5
199	K	83.4	Confident	89.7	Confident	71 Å²	71	27.4 Å²	27.4	31%	0.309	14%	0.14	S	C	.	.			trans	-55.1	128.1	-169.4	-57.9	176.1	-176.7	173	0	113.1	K153 Y194 Y201 S259	K153-K199 PolarHBondContact NZ-O 3.5Å; Y194-K199 HydrophobicContact CD1-CB 3.81Å; Y194-K199 HydrophobicContact CE1-CB 3.85Å; Y194-K199 HydrophobicContact CE1-CD 4.11Å; Y194-K199 HydrophobicContact CE1-CG 4.28Å; K199-Y201 VanDerWaalsContact C-N 3.34Å; K199-Y201 HydrophobicContact CB-CD1 4.4Å; K199-Y201 HydrophobicContact CB-CD2 4.18Å; K199-Y201 HydrophobicContact CB-CE1 4.45Å; K199-Y201 HydrophobicContact CB-CE2 4.26Å; K199-Y201 HydrophobicContact CB-CG 4.25Å; K199-Y201 HydrophobicContact CD-CD2 4.32Å; K199-Y201 HydrophobicContact CD-CE2 3.87Å; K199-Y201 PolarHBondContact O-N 2.78Å; K199-Y201 VanDerWaalsContact O-N 3.13Å; K199-S259 PolarHBondContact NZ-OG 3.26Å
200	P	90.1	Very high	89.7	Confident	17 Å²	17	28.3 Å²	28.3	11%	0.11	14%	0.144	C	C	.	.			trans	-90.2	62.1	-177.4	36.8	-37	0	0	0	111.8	Y216 Q217	P200-Y216 VanDerWaalsContact C-CD1 3.42Å; P200-Y216 HydrophobicContact CB-CD1 4.26Å; P200-Y216 HydrophobicContact CB-CD2 4.45Å; P200-Y216 HydrophobicContact CB-CE1 3.8Å; P200-Y216 HydrophobicContact CB-CE2 4Å; P200-Y216 WeakPolarHBondContact O-CD1 3.29Å; P200-Y216 WeakPolarHBondContact O-CE1 3.36Å; P200-Y216 PolarHBondContact O-N 3.22Å; P200-Y216 VanDerWaalsContact O-N 3.13Å; P200-Q217 HydrophobicContact CB-CG 3.8Å; P200-Q217 HydrophobicContact CG-CB 4.46Å; P200-Q217 HydrophobicContact CG-CG 4.01Å
201	Y	92.8	Very high	89.7	Confident	43 Å²	43	28.4 Å²	28.4	17%	0.169	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137.9	-172.7	-66.5	-9.2	0	0	0	113.9	Y194 K199 I213 W214 D215 V222 Y261	Y194-Y201 WeakPolarHBondContact CB-O 3.25Å; Y194-Y201 PolarHBondContact N-O 2.75Å; K199-Y201 VanDerWaalsContact C-N 3.34Å; K199-Y201 HydrophobicContact CB-CD1 4.4Å; K199-Y201 HydrophobicContact CB-CD2 4.18Å; K199-Y201 HydrophobicContact CB-CE1 4.45Å; K199-Y201 HydrophobicContact CB-CE2 4.26Å; K199-Y201 HydrophobicContact CB-CG 4.25Å; K199-Y201 HydrophobicContact CD-CD2 4.32Å; K199-Y201 HydrophobicContact CD-CE2 3.87Å; K199-Y201 PolarHBondContact O-N 2.78Å; K199-Y201 VanDerWaalsContact O-N 3.13Å; Y201-I213 HydrophobicContact CD2-CG2 4.18Å; Y201-I213 HydrophobicContact CG-CG2 4.33Å; Y201-W214 WeakPolarHBondContact CA-O 3.44Å; Y201-D215 HydrophobicContact CD1-CB 4.49Å; Y201-D215 HydrophobicContact CE1-CB 4.47Å; Y201-V222 HydrophobicContact CE1-CG2 4.13Å; Y201-Y261 WeakPolarHBondContact CE2-OH 3.37Å
202	L	93.8	Very high	89.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	156	162.4	-88.4	172.3	0	0	0	109.1	A159 I167 V169 L181 I191 D192 Y193 I213 W214 Y216	A159-L202 HydrophobicContact CB-CD1 4.25Å; A159-L202 HydrophobicContact CB-CD2 4.09Å; I167-L202 HydrophobicContact CG2-CD1 4.46Å; V169-L202 HydrophobicContact CG2-CD1 3.95Å; L181-L202 HydrophobicContact CD1-CD1 4.29Å; I191-L202 HydrophobicContact CD1-CD1 4.45Å; I191-L202 HydrophobicContact CD1-CD2 3.97Å; I191-L202 HydrophobicContact CG1-CD2 3.93Å; D192-L202 WeakPolarHBondContact O-CD2 3.41Å; Y193-L202 HydrophobicContact CD1-CD2 3.52Å; Y193-L202 HydrophobicContact CD1-CG 3.92Å; Y193-L202 HydrophobicContact CD2-CD2 3.68Å; Y193-L202 HydrophobicContact CE1-CD1 4.24Å; Y193-L202 HydrophobicContact CE1-CD2 3.59Å; Y193-L202 HydrophobicContact CE1-CG 3.77Å; Y193-L202 HydrophobicContact CE2-CD2 3.75Å; Y193-L202 HydrophobicContact CG-CD2 3.57Å; Y193-L202 HydrophobicContact CG-CG 4.45Å; L202-I213 WeakPolarHBondContact O-CA 3.43Å; L202-W214 HydrophobicContact CB-CB 4.22Å; L202-W214 PolarHBondContact N-O 3.17Å; L202-W214 PolarHBondContact O-N 2.95Å; L202-Y216 HydrophobicContact CD1-CD1 4.49Å; L202-Y216 HydrophobicContact CG-CD1 4.14Å
203	I	95.5	Very high	89.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.1	171	-164.6	167.9	0	0	0	110.7	I191 D192 V211 K212 I213 V235 F237 I244	I191-I203 CarbonylContact C-O 3.58Å; I191-I203 VanDerWaalsContact CA-O 3.26Å; I191-I203 WeakPolarHBondContact CA-O 3.46Å; D192-I203 HydrophobicContact CB-CG2 4Å; D192-I203 PolarHBondContact N-O 3.16Å; D192-I203 PolarHBondContact O-N 3.07Å; I203-V211 HydrophobicContact CD1-CG1 3.6Å; I203-V211 HydrophobicContact CG1-CG1 3.52Å; I203-K212 CarbonylContact C-O 3.59Å; I203-K212 WeakPolarHBondContact CA-O 3.17Å; I203-K212 WeakPolarHBondContact CG1-O 3.47Å; I203-I213 HydrophobicContact CB-CG1 4.5Å; I203-I213 HydrophobicContact CD1-CD1 4.22Å; I203-I213 HydrophobicContact CD1-CG1 3.71Å; I203-I213 HydrophobicContact CG1-CG1 3.82Å; I203-V235 HydrophobicContact CB-CG1 4.4Å; I203-V235 HydrophobicContact CD1-CG1 3.7Å; I203-V235 HydrophobicContact CG1-CG1 3.87Å; I203-V235 HydrophobicContact CG2-CG1 3.66Å; I203-F237 HydrophobicContact CB-CD2 4.23Å; I203-F237 HydrophobicContact CB-CE2 3.47Å; I203-F237 VanDerWaalsContact CB-CE2 3.47Å; I203-F237 HydrophobicContact CB-CZ 3.79Å; I203-F237 HydrophobicContact CD1-CZ 4.29Å; I203-F237 HydrophobicContact CG2-CD2 3.55Å; I203-F237 HydrophobicContact CG2-CE2 3.31Å; I203-F237 HydrophobicContact CG2-CG 4.45Å; I203-F237 HydrophobicContact CG2-CZ 4.02Å; I203-I244 HydrophobicContact CD1-CB 4.47Å; I203-I244 HydrophobicContact CD1-CD1 3.98Å; I203-I244 HydrophobicContact CD1-CG1 4.25Å; I203-I244 HydrophobicContact CD1-CG2 3.42Å; I203-I244 VanDerWaalsContact CD1-CG2 3.42Å
204	S	96.3	Very high	89.8	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.4	-178.5	60.2	0	0	0	0	113.2	I167 H184 C190 V211 K212 W214	I167-S204 VanDerWaalsContact CD1-CB 3.49Å; I167-S204 WeakPolarHBondContact CD1-OG 3.46Å; H184-S204 PolarHBondContact NE2-OG 2.94Å; C190-S204 VanDerWaalsContact O-CA 3.27Å; C190-S204 WeakPolarHBondContact O-CA 3.45Å; S204-V211 CarbonylContact O-C 3.59Å; S204-V211 VanDerWaalsContact O-CA 3.25Å; S204-V211 WeakPolarHBondContact O-CA 3.46Å; S204-V211 WeakPolarHBondContact O-CG1 3.47Å; S204-K212 PolarHBondContact N-O 3.32Å; S204-K212 PolarHBondContact O-N 2.88Å; S204-W214 PolarHBondContact OG-NE1 3.2Å
205	G	96	Very high	89.9	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.3	173.7	0	0	0	0	0	111.9	N189 C190	N189-G205 PolarHBondContact N-O 3.03Å; C190-G205 PolarHBondContact N-O 2.73Å; C190-G205 PolarHBondContact O-N 3.15Å; C190-G205 VanDerWaalsContact SG-CA 3.52Å; C190-G205 PolarHBondContact SG-O 3.15Å
206	A	95.8	Very high	90.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	170.7	-169.1	0	0	0	0	0	113.7	H184 G187 D208 R209 Q210 V232	H184-A206 HydrophobicContact CB-CB 4.27Å; H184-A206 VanDerWaalsContact ND1-CB 3.33Å; H184-A206 WeakPolarHBondContact ND1-CB 3.5Å; G187-A206 WeakPolarHBondContact O-CA 3.31Å; G187-A206 VanDerWaalsContact O-CB 3.23Å; G187-A206 WeakPolarHBondContact O-CB 3.4Å; A206-D208 WeakPolarHBondContact CB-OD1 3.43Å; A206-D208 PolarHBondContact O-N 3.02Å; A206-R209 PolarHBondContact O-N 3.33Å; A206-R209 VanDerWaalsContact O-N 3.17Å; A206-Q210 PolarHBondContact N-O 2.98Å; A206-V232 PolarHBondContact O-N 2.74Å; A206-V232 VanDerWaalsContact O-N 3.17Å
207	D	94.9	Very high	91.1	Very high	43 Å²	43	35 Å²	35	23%	0.23	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-10.1	175.6	-77.3	-5.8	0	0	0	113.6	K186 G187 N189 R209 N231	K186-D207 HydrophobicContact CB-CB 3.88Å; K186-D207 HydrophobicContact CD-CB 3.63Å; K186-D207 WeakPolarHBondContact CD-O 3.25Å; K186-D207 WeakPolarHBondContact CE-O 3.37Å; K186-D207 HydrophobicContact CG-CB 4.46Å; K186-D207 PolarHBondContact NZ-O 2.58Å; G187-D207 PolarHBondContact O-N 2.92Å; N189-D207 PolarHBondContact ND2-OD1 3.46Å; D207-R209 PolarHBondContact O-N 2.94Å; D207-N231 PolarHBondContact O-OD1 2.84Å; D207-N231 WeakPolarHBondContact OD1-CB 3.31Å; D207-N231 PolarHBondContact OD1-ND2 3.18Å
208	D	93	Very high	92.1	Very high	23 Å²	23	39.1 Å²	39.1	12%	0.123	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	0.9	170.5	64.2	14.7	0	0	0	112.8	H184 E185 K186 A206 Q210	H184-D208 WeakPolarHBondContact CA-OD2 3.38Å; H184-D208 WeakPolarHBondContact CB-OD2 3.45Å; H184-D208 IonicContact CE1-OD1 3.15Å; H184-D208 IonicContact CG-OD2 3.04Å; H184-D208 IonicContact ND1-OD1 2.77Å; H184-D208 PolarHBondContact ND1-OD1 3.17Å; H184-D208 IonicContact ND1-OD2 2.65Å; H184-D208 PolarHBondContact ND1-OD2 2.86Å; E185-D208 HydrophobicContact CB-CB 4.21Å; E185-D208 PolarHBondContact N-OD2 3.35Å; K186-D208 HydrophobicContact CB-CB 4.44Å; K186-D208 HydrophobicContact CG-CB 4.33Å; A206-D208 WeakPolarHBondContact CB-OD1 3.43Å; A206-D208 PolarHBondContact O-N 3.02Å; D208-Q210 PolarHBondContact O-N 3.06Å; D208-Q210 VanDerWaalsContact OD1-CB 3.29Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.43Å; D208-Q210 PolarHBondContact OD1-N 3.4Å
209	R	94.1	Very high	93.1	Very high	111 Å²	111	37.6 Å²	37.6	42%	0.419	17%	0.172	S	C	.	.	S	Bend	trans	71.3	5.9	-179.9	-44	179.7	169.9	158.7	-14.5	114.2	A206 D207 A229 Q230	A206-R209 PolarHBondContact O-N 3.33Å; A206-R209 VanDerWaalsContact O-N 3.17Å; D207-R209 PolarHBondContact O-N 2.94Å; R209-A229 PolarHBondContact NE-O 2.83Å; R209-A229 VanDerWaalsContact NE-O 3.07Å; R209-A229 PolarHBondContact NH2-O 2.72Å; R209-Q230 WeakPolarHBondContact CG-O 3.47Å
210	Q	94	Very high	93.6	Very high	39 Å²	39	37.8 Å²	37.8	18%	0.182	18%	0.18	C	C	.	.			trans	-95.6	151.6	179.5	-55.5	-68.6	7.3	0	0	110.9	A206 D208 T224 L225 E226	A206-Q210 PolarHBondContact N-O 2.98Å; D208-Q210 PolarHBondContact O-N 3.06Å; D208-Q210 VanDerWaalsContact OD1-CB 3.29Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.43Å; D208-Q210 PolarHBondContact OD1-N 3.4Å; Q210-T224 HydrophobicContact CB-CG2 3.86Å; Q210-T224 HydrophobicContact CG-CG2 4.1Å; Q210-L225 PolarHBondContact OE1-O 3.26Å; Q210-E226 PolarHBondContact NE2-OE1 3.29Å
211	V	96.2	Very high	93.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124	163.4	179.7	0	0	0	0	108.5	I203 S204 T224 L225 V232 V235 T246	I203-V211 HydrophobicContact CD1-CG1 3.6Å; I203-V211 HydrophobicContact CG1-CG1 3.52Å; S204-V211 CarbonylContact O-C 3.59Å; S204-V211 VanDerWaalsContact O-CA 3.25Å; S204-V211 WeakPolarHBondContact O-CA 3.46Å; S204-V211 WeakPolarHBondContact O-CG1 3.47Å; V211-T224 CarbonylContact O-C 3.58Å; V211-T224 WeakPolarHBondContact O-CA 3.24Å; V211-L225 HydrophobicContact CB-CB 4.19Å; V211-L225 HydrophobicContact CB-CD1 4.25Å; V211-L225 HydrophobicContact CB-CG 4.44Å; V211-L225 HydrophobicContact CG1-CD1 4.1Å; V211-L225 PolarHBondContact N-O 2.96Å; V211-L225 PolarHBondContact O-N 3.06Å; V211-V232 HydrophobicContact CG2-CB 4.28Å; V211-V232 HydrophobicContact CG2-CG1 3.81Å; V211-V232 HydrophobicContact CG2-CG2 3.81Å; V211-V235 HydrophobicContact CG1-CG1 4.15Å; V211-V235 HydrophobicContact CG1-CG2 4.06Å; V211-V235 HydrophobicContact CG2-CG2 3.97Å; V211-T246 HydrophobicContact CB-CG2 4.43Å; V211-T246 HydrophobicContact CG1-CG2 4.18Å; V211-T246 HydrophobicContact CG2-CG2 3.86Å
212	K	95.6	Very high	93.7	Very high	31 Å²	31	39.9 Å²	39.9	14%	0.135	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	134.9	-178	-69.9	-178.8	-177.6	-73.1	0	110.6	G183 I203 S204 W214 T224	G183-K212 VanDerWaalsContact O-CE 3.24Å; G183-K212 WeakPolarHBondContact O-CE 3.26Å; I203-K212 CarbonylContact C-O 3.59Å; I203-K212 WeakPolarHBondContact CA-O 3.17Å; I203-K212 WeakPolarHBondContact CG1-O 3.47Å; S204-K212 PolarHBondContact N-O 3.32Å; S204-K212 PolarHBondContact O-N 2.88Å; K212-W214 HydrophobicContact CB-CZ2 3.86Å; K212-W214 HydrophobicContact CD-CH2 4.22Å; K212-W214 HydrophobicContact CD-CZ2 3.7Å; K212-W214 HydrophobicContact CG-CZ2 4.42Å; K212-T224 HydrophobicContact CG-CG2 4.13Å; K212-T224 PolarHBondContact NZ-OG1 3.4Å
213	I	95.4	Very high	93.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.9	175.2	-60.2	173.4	0	0	0	107.2	Y201 L202 I203 C221 V222 Q223 L225 I244 Y261	Y201-I213 HydrophobicContact CD2-CG2 4.18Å; Y201-I213 HydrophobicContact CG-CG2 4.33Å; L202-I213 WeakPolarHBondContact O-CA 3.43Å; I203-I213 HydrophobicContact CB-CG1 4.5Å; I203-I213 HydrophobicContact CD1-CD1 4.22Å; I203-I213 HydrophobicContact CD1-CG1 3.71Å; I203-I213 HydrophobicContact CG1-CG1 3.82Å; I213-C221 CarbonylContact O-C 3.58Å; I213-C221 WeakPolarHBondContact O-CA 3.34Å; I213-V222 HydrophobicContact CG2-CB 4.3Å; I213-V222 PolarHBondContact O-N 3.04Å; I213-Q223 PolarHBondContact N-O 3.18Å; I213-Q223 PolarHBondContact O-N 3.32Å; I213-L225 HydrophobicContact CD1-CD1 4.31Å; I213-L225 HydrophobicContact CD1-CD2 4.28Å; I213-L225 HydrophobicContact CD1-CG 4.4Å; I213-I244 HydrophobicContact CD1-CD1 3.66Å; I213-Y261 HydrophobicContact CD1-CD1 3.47Å; I213-Y261 VanDerWaalsContact CD1-CD1 3.47Å; I213-Y261 HydrophobicContact CD1-CE1 3.26Å; I213-Y261 HydrophobicContact CD1-CG 4.42Å
214	W	94.6	Very high	93.6	Very high	9 Å²	9	45.4 Å²	45.4	3%	0.034	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.8	-173.9	-53.6	88.4	0	0	0	110.3	L181 E182 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 3.94Å; L181-W214 HydrophobicContact CD1-CD2 4.29Å; L181-W214 HydrophobicContact CD1-CE3 4.42Å; L181-W214 HydrophobicContact CD1-CG 4.1Å; E182-W214 WeakPolarHBondContact O-CH2 3.24Å; Y201-W214 WeakPolarHBondContact CA-O 3.44Å; L202-W214 HydrophobicContact CB-CB 4.22Å; L202-W214 PolarHBondContact N-O 3.17Å; L202-W214 PolarHBondContact O-N 2.95Å; S204-W214 PolarHBondContact OG-NE1 3.2Å; K212-W214 HydrophobicContact CB-CZ2 3.86Å; K212-W214 HydrophobicContact CD-CH2 4.22Å; K212-W214 HydrophobicContact CD-CZ2 3.7Å; K212-W214 HydrophobicContact CG-CZ2 4.42Å; W214-T220 WeakPolarHBondContact CA-O 3.26Å; W214-C221 HydrophobicContact CE3-CB 3.96Å; W214-C221 HydrophobicContact CH2-CB 4.31Å; W214-C221 HydrophobicContact CZ3-CB 3.84Å
215	D	93.3	Very high	93.5	Very high	18 Å²	18	45.7 Å²	45.7	10%	0.096	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	116.2	160.9	-178.5	-38.8	0	0	0	107.1	Y201 Q217 N218 K219 T220 V222	Y201-D215 HydrophobicContact CD1-CB 4.49Å; Y201-D215 HydrophobicContact CE1-CB 4.47Å; D215-Q217 WeakPolarHBondContact OD1-CA 3.2Å; D215-Q217 WeakPolarHBondContact OD1-CB 3.12Å; D215-Q217 PolarHBondContact OD1-N 3.49Å; D215-N218 HydrophobicContact CB-CB 4.18Å; D215-N218 PolarHBondContact OD1-N 3.22Å; D215-N218 PolarHBondContact OD2-ND2 3.24Å; D215-K219 WeakPolarHBondContact O-CA 3.29Å; D215-K219 PolarHBondContact O-N 3.42Å; D215-T220 PolarHBondContact N-O 2.94Å; D215-T220 PolarHBondContact O-N 3.49Å; D215-V222 HydrophobicContact CB-CG2 3.65Å
216	Y	89.4	Confident	93.3	Very high	29 Å²	29	52.1 Å²	52.1	11%	0.114	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-12	-175.6	69.4	-111.5	0	0	0	113.6	F179 Y193 P200 L202	F179-Y216 HydrophobicContact CZ-CD2 4.39Å; F179-Y216 VanDerWaalsContact CZ-O 3.29Å; F179-Y216 WeakPolarHBondContact CZ-O 3.27Å; Y193-Y216 HydrophobicContact CD1-CD1 4.41Å; Y193-Y216 HydrophobicContact CD1-CE1 4.09Å; Y193-Y216 HydrophobicContact CE1-CD1 4.02Å; Y193-Y216 AromaticContact CE1-CE1 3.88Å; Y193-Y216 HydrophobicContact CE1-CE1 3.88Å; P200-Y216 VanDerWaalsContact C-CD1 3.42Å; P200-Y216 HydrophobicContact CB-CD1 4.26Å; P200-Y216 HydrophobicContact CB-CD2 4.45Å; P200-Y216 HydrophobicContact CB-CE1 3.8Å; P200-Y216 HydrophobicContact CB-CE2 4Å; P200-Y216 WeakPolarHBondContact O-CD1 3.29Å; P200-Y216 WeakPolarHBondContact O-CE1 3.36Å; P200-Y216 PolarHBondContact O-N 3.22Å; P200-Y216 VanDerWaalsContact O-N 3.13Å; L202-Y216 HydrophobicContact CD1-CD1 4.49Å; L202-Y216 HydrophobicContact CG-CD1 4.14Å
217	Q	90	Very high	92.9	Very high	132 Å²	132	54 Å²	54	62%	0.617	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-51	171.3	-66.9	178.5	4	0	0	110.3	P200 D215 K219	P200-Q217 HydrophobicContact CB-CG 3.8Å; P200-Q217 HydrophobicContact CG-CB 4.46Å; P200-Q217 HydrophobicContact CG-CG 4.01Å; D215-Q217 WeakPolarHBondContact OD1-CA 3.2Å; D215-Q217 WeakPolarHBondContact OD1-CB 3.12Å; D215-Q217 PolarHBondContact OD1-N 3.49Å; Q217-K219 VanDerWaalsContact C-N 3.32Å
218	N	90.1	Very high	92.9	Very high	112 Å²	112	52.6 Å²	52.6	60%	0.599	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-16.8	178.3	-70.5	-63.5	0	0	0	113.1	D215 T220	D215-N218 HydrophobicContact CB-CB 4.18Å; D215-N218 PolarHBondContact OD1-N 3.22Å; D215-N218 PolarHBondContact OD2-ND2 3.24Å; N218-T220 VanDerWaalsContact C-N 3.3Å; N218-T220 PolarHBondContact O-N 3.34Å
219	K	91.9	Very high	92.9	Very high	110 Å²	110	54.1 Å²	54.1	48%	0.478	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	35.5	178.8	-55.4	175.8	-173.5	178.3	0	113.1	F179 L181 D215 Q217	F179-K219 HydrophobicContact CB-CD 4.21Å; F179-K219 HydrophobicContact CD2-CD 4.27Å; F179-K219 HydrophobicContact CD2-CG 4.29Å; F179-K219 HydrophobicContact CG-CD 4.18Å; L181-K219 HydrophobicContact CD2-CB 3.74Å; L181-K219 HydrophobicContact CD2-CG 4.06Å; D215-K219 WeakPolarHBondContact O-CA 3.29Å; D215-K219 PolarHBondContact O-N 3.42Å; Q217-K219 VanDerWaalsContact C-N 3.32Å
220	T	92.3	Very high	93	Very high	75 Å²	75	52.9 Å²	52.9	46%	0.46	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.7	-176.9	49.9	0	0	0	0	111.8	W214 D215 N218 V222	W214-T220 WeakPolarHBondContact CA-O 3.26Å; D215-T220 PolarHBondContact N-O 2.94Å; D215-T220 PolarHBondContact O-N 3.49Å; N218-T220 VanDerWaalsContact C-N 3.3Å; N218-T220 PolarHBondContact O-N 3.34Å; T220-V222 PolarHBondContact O-N 3.11Å
221	C	92.9	Very high	93	Very high	52 Å²	52	52.7 Å²	52.7	35%	0.351	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	108.5	166.8	177.2	0	0	0	0	108.7	I213 W214 Q223	I213-C221 CarbonylContact O-C 3.58Å; I213-C221 WeakPolarHBondContact O-CA 3.34Å; W214-C221 HydrophobicContact CE3-CB 3.96Å; W214-C221 HydrophobicContact CH2-CB 4.31Å; W214-C221 HydrophobicContact CZ3-CB 3.84Å; C221-Q223 PolarHBondContact SG-O 2.91Å
222	V	92.4	Very high	93	Very high	53 Å²	53	52.6 Å²	52.6	32%	0.321	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-42.5	177.9	176	0	0	0	0	110.9	Y201 I213 D215 T220 Y261	Y201-V222 HydrophobicContact CE1-CG2 4.13Å; I213-V222 HydrophobicContact CG2-CB 4.3Å; I213-V222 PolarHBondContact O-N 3.04Å; D215-V222 HydrophobicContact CB-CG2 3.65Å; T220-V222 PolarHBondContact O-N 3.11Å; V222-Y261 HydrophobicContact CG1-CE2 4.31Å
223	Q	93.4	Very high	93	Very high	82 Å²	82	52 Å²	52	38%	0.383	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	150.1	179.4	-179	61.6	-48.1	0	0	111.5	I213 C221 L225 Y261	I213-Q223 PolarHBondContact N-O 3.18Å; I213-Q223 PolarHBondContact O-N 3.32Å; C221-Q223 PolarHBondContact SG-O 2.91Å; Q223-L225 HydrophobicContact CG-CD2 3.96Å; Q223-Y261 HydrophobicContact CB-CD2 3.8Å; Q223-Y261 HydrophobicContact CB-CE2 3.9Å; Q223-Y261 HydrophobicContact CB-CG 4.24Å; Q223-Y261 HydrophobicContact CG-CD2 3.66Å; Q223-Y261 HydrophobicContact CG-CE2 4.29Å; Q223-Y261 HydrophobicContact CG-CG 3.83Å
224	T	94.5	Very high	92.9	Very high	34 Å²	34	52.4 Å²	52.4	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.9	164.7	-57.2	0	0	0	0	109.3	Q210 V211 K212 E226	Q210-T224 HydrophobicContact CB-CG2 3.86Å; Q210-T224 HydrophobicContact CG-CG2 4.1Å; V211-T224 CarbonylContact O-C 3.58Å; V211-T224 WeakPolarHBondContact O-CA 3.24Å; K212-T224 HydrophobicContact CG-CG2 4.13Å; K212-T224 PolarHBondContact NZ-OG1 3.4Å; T224-E226 HydrophobicContact CG2-CG 4.43Å
225	L	94	Very high	93	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.1	174.4	-44	177.5	0	0	0	108.4	Q210 V211 I213 Q223 I244 W256 Y261	Q210-L225 PolarHBondContact OE1-O 3.26Å; V211-L225 HydrophobicContact CB-CB 4.19Å; V211-L225 HydrophobicContact CB-CD1 4.25Å; V211-L225 HydrophobicContact CB-CG 4.44Å; V211-L225 HydrophobicContact CG1-CD1 4.1Å; V211-L225 PolarHBondContact N-O 2.96Å; V211-L225 PolarHBondContact O-N 3.06Å; I213-L225 HydrophobicContact CD1-CD1 4.31Å; I213-L225 HydrophobicContact CD1-CD2 4.28Å; I213-L225 HydrophobicContact CD1-CG 4.4Å; Q223-L225 HydrophobicContact CG-CD2 3.96Å; L225-I244 HydrophobicContact CD1-CD1 4.45Å; L225-W256 HydrophobicContact CB-CD2 4.42Å; L225-W256 HydrophobicContact CB-CE3 4.21Å; L225-W256 HydrophobicContact CB-CH2 4.19Å; L225-W256 HydrophobicContact CB-CZ2 4.38Å; L225-W256 HydrophobicContact CB-CZ3 4.1Å; L225-W256 HydrophobicContact CD1-CB 4.41Å; L225-W256 HydrophobicContact CD1-CD2 4.01Å; L225-W256 HydrophobicContact CD1-CE3 4.38Å; L225-W256 HydrophobicContact CD1-CG 4.01Å; L225-W256 HydrophobicContact CD2-CE3 4.43Å; L225-Y261 HydrophobicContact CD2-CD1 4.34Å; L225-Y261 HydrophobicContact CD2-CG 4.27Å
226	E	91.4	Very high	93	Very high	134 Å²	134	52.1 Å²	52.1	63%	0.626	29%	0.288	S	S	*	.			trans	-100.5	142.7	179.3	-41	-154.6	118.5	0	0	111.3	Q210 T224 W256	Q210-E226 PolarHBondContact NE2-OE1 3.29Å; T224-E226 HydrophobicContact CG2-CG 4.43Å; E226-W256 WeakPolarHBondContact O-CH2 3.18Å
227	G	87.9	Confident	93.1	Very high	41 Å²	41	51 Å²	51	42%	0.423	28%	0.283	S	S	.	.			trans	150.9	-10.9	161.2	0	0	0	0	0	117.4	R254	G227-R254 PolarHBondContact O-NH1 2.91Å; G227-R254 PolarHBondContact O-NH2 3.4Å
228	H	93.9	Very high	93.1	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.056	26%	0.255	C	S	.	.			trans	-66.7	143.1	173	-85.8	-68.6	0	0	0	111.4	V232 T246 S248 D250 T252 R254	H228-V232 HydrophobicContact CB-CG2 4.34Å; H228-T246 PolarHBondContact NE2-OG1 3.43Å; H228-S248 VanDerWaalsContact CE1-CB 3.47Å; H228-S248 WeakPolarHBondContact CE1-CB 3.49Å; H228-S248 WeakPolarHBondContact ND1-CB 3.39Å; H228-D250 WeakPolarHBondContact CA-OD2 3.38Å; H228-D250 IonicContact CE1-OD1 3.89Å; H228-D250 IonicContact CG-OD2 3.69Å; H228-D250 IonicContact ND1-OD1 3.34Å; H228-D250 PolarHBondContact ND1-OD1 2.98Å; H228-D250 IonicContact ND1-OD2 2.94Å; H228-D250 PolarHBondContact ND1-OD2 3.33Å; H228-T252 PolarHBondContact CE1-OG1 3.44Å; H228-T252 PolarHBondContact ND1-OG1 2.9Å; H228-R254 PolarHBondContact CE1-NE 3.04Å; H228-R254 PolarHBondContact ND1-NE 3.35Å
229	A	93.2	Very high	92.9	Very high	56 Å²	56	39.9 Å²	39.9	46%	0.463	23%	0.228	S	C	.	.	S	Bend	trans	-85.2	-17.7	-176.5	0	0	0	0	0	113.1	R209 D250	R209-A229 PolarHBondContact NE-O 2.83Å; R209-A229 VanDerWaalsContact NE-O 3.07Å; R209-A229 PolarHBondContact NH2-O 2.72Å; A229-D250 HydrophobicContact CB-CB 3.86Å; A229-D250 PolarHBondContact N-OD2 3.22Å
230	Q	95.3	Very high	92.4	Very high	84 Å²	84	36.9 Å²	36.9	39%	0.393	22%	0.216	S	C	.	.	S	Bend	trans	-138.3	-176.3	177.8	-59.2	-64.2	12.2	0	0	110.9	R209 S248 E249 D250	R209-Q230 WeakPolarHBondContact CG-O 3.47Å; Q230-S248 PolarHBondContact O-OG 2.99Å; Q230-E249 HydrophobicContact CB-CB 3.98Å; Q230-D250 HydrophobicContact CB-CB 4.26Å; Q230-D250 HydrophobicContact CG-CB 4.22Å
231	N	95.3	Very high	92	Very high	35 Å²	35	34.3 Å²	34.3	19%	0.187	20%	0.199	C	C	.	.			trans	-48.5	142.2	179.3	-57.7	-17.2	0	0	0	111.7	D207 S248 E249	D207-N231 PolarHBondContact O-OD1 2.84Å; D207-N231 WeakPolarHBondContact OD1-CB 3.31Å; D207-N231 PolarHBondContact OD1-ND2 3.18Å; N231-S248 VanDerWaalsContact O-CA 3.31Å; N231-S248 WeakPolarHBondContact O-CA 3.4Å; N231-S248 WeakPolarHBondContact O-CB 3.4Å; N231-S248 PolarHBondContact O-OG 2.95Å; N231-E249 HydrophobicContact CB-CG 4.45Å; N231-E249 PolarHBondContact ND2-OE1 3.18Å; N231-E249 PolarHBondContact O-N 3.18Å
232	V	96.3	Very high	91.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.1	170.8	-174.4	0	0	0	0	107.7	N189 A206 V211 H228 V235 G247	N189-V232 WeakPolarHBondContact CB-O 3.5Å; N189-V232 PolarHBondContact ND2-O 3.4Å; A206-V232 PolarHBondContact O-N 2.74Å; A206-V232 VanDerWaalsContact O-N 3.17Å; V211-V232 HydrophobicContact CG2-CB 4.28Å; V211-V232 HydrophobicContact CG2-CG1 3.81Å; V211-V232 HydrophobicContact CG2-CG2 3.81Å; H228-V232 HydrophobicContact CB-CG2 4.34Å; V232-V235 HydrophobicContact CG1-CG2 3.56Å; V232-G247 WeakPolarHBondContact CG1-O 3.39Å
233	S	94.8	Very high	91.6	Very high	18 Å²	18	29.7 Å²	29.7	13%	0.126	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-34.9	-173.6	49.9	0	0	0	0	112.3	G247 V274	S233-G247 PolarHBondContact N-O 3.07Å; S233-G247 PolarHBondContact OG-O 3.45Å; S233-V274 WeakPolarHBondContact CB-O 3.43Å; S233-V274 PolarHBondContact OG-O 3.05Å
234	C	94.2	Very high	91.6	Very high	8 Å²	8	25.8 Å²	25.8	5%	0.054	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	145.7	179.1	65.3	0	0	0	0	112.1	C190 G247 C276 V277	C190-C234 VanDerWaalsContact SG-CA 3.51Å; C234-G247 PolarHBondContact N-O 3.41Å; C234-G247 PolarHBondContact O-N 2.95Å; C234-C276 VanDerWaalsContact SG-C 3.54Å; C234-V277 HydrophobicContact CB-CG1 3.99Å
235	V	95.8	Very high	91.6	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.03	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	145.6	174	-179.2	0	0	0	0	108.7	I203 V211 V232 I244 I245 T246	I203-V235 HydrophobicContact CB-CG1 4.4Å; I203-V235 HydrophobicContact CD1-CG1 3.7Å; I203-V235 HydrophobicContact CG1-CG1 3.87Å; I203-V235 HydrophobicContact CG2-CG1 3.66Å; V211-V235 HydrophobicContact CG1-CG1 4.15Å; V211-V235 HydrophobicContact CG1-CG2 4.06Å; V211-V235 HydrophobicContact CG2-CG2 3.97Å; V232-V235 HydrophobicContact CG1-CG2 3.56Å; V235-I244 HydrophobicContact CG1-CG2 4.21Å; V235-I245 CarbonylContact C-O 3.55Å; V235-I245 WeakPolarHBondContact CA-O 3.25Å; V235-T246 HydrophobicContact CG1-CG2 4.01Å; V235-T246 HydrophobicContact CG2-CG2 4.03Å
236	S	93.5	Very high	91.7	Very high	17 Å²	17	24 Å²	24	12%	0.119	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	147.6	168	-179.7	0	0	0	0	112.3	D192 I245	D192-S236 WeakPolarHBondContact OD2-CA 3.49Å; D192-S236 VanDerWaalsContact OD2-CB 3.3Å; D192-S236 WeakPolarHBondContact OD2-CB 3.45Å; D192-S236 PolarHBondContact OD2-OG 2.97Å; S236-I245 PolarHBondContact N-O 3.11Å; S236-I245 PolarHBondContact O-N 3.44Å
237	F	92.1	Very high	91.9	Very high	5 Å²	5	17.7 Å²	17.7	2%	0.022	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	127.5	161.7	-75.5	-76.8	0	0	0	109	D192 Y193 Y194 I203 I244	D192-F237 PolarHBondContact OD2-N 3.32Å; Y193-F237 VanDerWaalsContact C-CD2 3.49Å; Y194-F237 VanDerWaalsContact CA-CD2 3.49Å; Y194-F237 HydrophobicContact CD2-CB 4.18Å; Y194-F237 AromaticContact CD2-CD1 3.57Å; Y194-F237 HydrophobicContact CD2-CD1 3.57Å; Y194-F237 HydrophobicContact CD2-CD2 4.45Å; Y194-F237 AromaticContact CD2-CE1 3.95Å; Y194-F237 HydrophobicContact CD2-CE1 3.95Å; Y194-F237 AromaticContact CD2-CG 3.84Å; Y194-F237 HydrophobicContact CD2-CG 3.84Å; Y194-F237 HydrophobicContact CE2-CD1 4.39Å; Y194-F237 HydrophobicContact CG-CD1 4.32Å; Y194-F237 HydrophobicContact CG-CE1 4.35Å; Y194-F237 HydrophobicContact CG-CG 4.47Å; I203-F237 HydrophobicContact CB-CD2 4.23Å; I203-F237 HydrophobicContact CB-CE2 3.47Å; I203-F237 VanDerWaalsContact CB-CE2 3.47Å; I203-F237 HydrophobicContact CB-CZ 3.79Å; I203-F237 HydrophobicContact CD1-CZ 4.29Å; I203-F237 HydrophobicContact CG2-CD2 3.55Å; I203-F237 HydrophobicContact CG2-CE2 3.31Å; I203-F237 HydrophobicContact CG2-CG 4.45Å; I203-F237 HydrophobicContact CG2-CZ 4.02Å; F237-I244 HydrophobicContact CD1-CD1 4.42Å; F237-I244 HydrophobicContact CD1-CG1 3.67Å; F237-I244 HydrophobicContact CE1-CD1 3.9Å; F237-I244 HydrophobicContact CE1-CG1 3.67Å
238	H	90.1	Very high	92.3	Very high	3 Å²	3	15.8 Å²	15.8	1%	0.014	9%	0.092	C	C	.	.			trans	-64.2	133.6	171.9	-173.4	-61.5	0	0	0	109.2	E240 L241 I243	H238-E240 PolarHBondContact ND1-N 2.95Å; H238-E240 VanDerWaalsContact ND1-N 3.14Å; H238-L241 HydrophobicContact CB-CB 4.43Å; H238-L241 PolarHBondContact ND1-N 2.91Å; H238-I243 HydrophobicContact CB-CD1 4.11Å; H238-I243 HydrophobicContact CB-CG1 3.44Å; H238-I243 VanDerWaalsContact CB-CG1 3.44Å; H238-I243 PolarHBondContact N-O 3.12Å
239	P	85	Confident	92.4	Very high	8 Å²	8	17.5 Å²	17.5	5%	0.052	10%	0.1	C	C	.	.	S	Bend	trans	-66.3	-43.9	-172.3	22.4	-32.6	0	0	0	113.5	L280 R281 H319	P239-L280 WeakPolarHBondContact CG-O 3.33Å; P239-R281 HydrophobicContact CB-CB 4.32Å; P239-R281 HydrophobicContact CB-CG 3.92Å; P239-R281 HydrophobicContact CG-CG 4.38Å; P239-H319 PolarHBondContact O-NE2 3.39Å
240	E	81.5	Confident	92.5	Very high	47 Å²	47	16.4 Å²	16.4	22%	0.22	9%	0.086	C	C	.	.	S	Bend	trans	-92.8	-53.5	-179.7	-45.3	-46.8	139.6	0	0	114	H238 G282 H319 Y354	H238-E240 PolarHBondContact ND1-N 2.95Å; H238-E240 VanDerWaalsContact ND1-N 3.14Å; E240-G282 PolarHBondContact OE1-N 3.41Å; E240-H319 PolarHBondContact O-CD2 3.37Å; E240-H319 PolarHBondContact O-NE2 3.4Å; E240-Y354 PolarHBondContact O-OH 3.32Å
241	L	85	Confident	92.3	Very high	20 Å²	20	12.6 Å²	12.6	11%	0.105	7%	0.07	C	C	.	.	S	Bend	trans	-74	154.7	-174.4	-63	-179.9	0	0	0	113.7	L5 H238 I243 V299 Y354	L5-L241 HydrophobicContact CD2-CD1 4.29Å; H238-L241 HydrophobicContact CB-CB 4.43Å; H238-L241 PolarHBondContact ND1-N 2.91Å; L241-I243 HydrophobicContact CB-CD1 4.11Å; L241-I243 HydrophobicContact CB-CG1 3.96Å; L241-I243 HydrophobicContact CD1-CD1 4.06Å; L241-I243 PolarHBondContact O-N 3.05Å; L241-V299 HydrophobicContact CD1-CB 4.07Å; L241-V299 HydrophobicContact CD1-CG1 3.68Å; L241-V299 WeakPolarHBondContact CD1-O 3.43Å; L241-Y354 HydrophobicContact CD2-CE1 4.42Å
242	P	86	Confident	92.3	Very high	7 Å²	7	11.8 Å²	11.8	5%	0.045	7%	0.066	C	C	.	.	S	Bend	trans	-82.9	50.7	-176.2	39.4	-39.8	0	0	0	111.4	L3 H257 S258 Y354	L3-P242 HydrophobicContact CD1-CG 3.73Å; P242-H257 PolarHBondContact O-ND1 2.87Å; P242-S258 WeakPolarHBondContact CA-OG 3.27Å; P242-S258 WeakPolarHBondContact O-CB 3.36Å; P242-S258 PolarHBondContact O-N 3.29Å; P242-S258 PolarHBondContact O-OG 3.08Å; P242-S258 VanDerWaalsContact O-OG 3.05Å; P242-Y354 HydrophobicContact CB-CD2 3.74Å; P242-Y354 HydrophobicContact CB-CE2 4.22Å; P242-Y354 HydrophobicContact CB-CG 4.17Å; P242-Y354 HydrophobicContact CG-CD1 4.01Å; P242-Y354 HydrophobicContact CG-CD2 3.57Å; P242-Y354 HydrophobicContact CG-CE1 4.45Å; P242-Y354 HydrophobicContact CG-CE2 4.02Å; P242-Y354 HydrophobicContact CG-CG 3.56Å
243	I	90.3	Very high	92.3	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153	-171	70.2	179.7	0	0	0	112.7	L5 H238 L241 I245 I255 W256 V299	L5-I243 HydrophobicContact CD1-CD1 4.16Å; L5-I243 HydrophobicContact CD1-CG2 4.33Å; H238-I243 HydrophobicContact CB-CD1 4.11Å; H238-I243 HydrophobicContact CB-CG1 3.44Å; H238-I243 VanDerWaalsContact CB-CG1 3.44Å; H238-I243 PolarHBondContact N-O 3.12Å; L241-I243 HydrophobicContact CB-CD1 4.11Å; L241-I243 HydrophobicContact CB-CG1 3.96Å; L241-I243 HydrophobicContact CD1-CD1 4.06Å; L241-I243 PolarHBondContact O-N 3.05Å; I243-I245 HydrophobicContact CD1-CD1 4.45Å; I243-I255 HydrophobicContact CB-CG2 3.95Å; I243-I255 HydrophobicContact CD1-CG2 3.99Å; I243-I255 HydrophobicContact CG1-CG2 4.41Å; I243-I255 HydrophobicContact CG2-CG2 4.23Å; I243-W256 CarbonylContact C-O 3.59Å; I243-W256 VanDerWaalsContact CA-O 3.26Å; I243-W256 WeakPolarHBondContact CA-O 3.47Å; I243-V299 HydrophobicContact CD1-CG1 3.73Å
244	I	93.7	Very high	92.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.4	175.2	-63.3	163.1	0	0	0	107.1	I203 I213 L225 V235 F237 T246 I255 W256 Y261	I203-I244 HydrophobicContact CD1-CB 4.47Å; I203-I244 HydrophobicContact CD1-CD1 3.98Å; I203-I244 HydrophobicContact CD1-CG1 4.25Å; I203-I244 HydrophobicContact CD1-CG2 3.42Å; I203-I244 VanDerWaalsContact CD1-CG2 3.42Å; I213-I244 HydrophobicContact CD1-CD1 3.66Å; L225-I244 HydrophobicContact CD1-CD1 4.45Å; V235-I244 HydrophobicContact CG1-CG2 4.21Å; F237-I244 HydrophobicContact CD1-CD1 4.42Å; F237-I244 HydrophobicContact CD1-CG1 3.67Å; F237-I244 HydrophobicContact CE1-CD1 3.9Å; F237-I244 HydrophobicContact CE1-CG1 3.67Å; I244-T246 HydrophobicContact CG2-CG2 4Å; I244-I255 WeakPolarHBondContact O-CA 3.34Å; I244-W256 HydrophobicContact CB-CB 4.25Å; I244-W256 PolarHBondContact N-O 3.17Å; I244-W256 PolarHBondContact O-N 2.86Å; I244-Y261 HydrophobicContact CD1-CD1 4.42Å
245	I	95.1	Very high	92.3	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.015	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.2	179.7	-55	-179.4	0	0	0	108.5	V235 S236 I243 V253 R254 V277 V286	V235-I245 CarbonylContact C-O 3.55Å; V235-I245 WeakPolarHBondContact CA-O 3.25Å; S236-I245 PolarHBondContact N-O 3.11Å; S236-I245 PolarHBondContact O-N 3.44Å; I243-I245 HydrophobicContact CD1-CD1 4.45Å; I245-V253 HydrophobicContact CG2-CG1 3.57Å; I245-R254 WeakPolarHBondContact CA-O 3.41Å; I245-V277 HydrophobicContact CG2-CG2 4.1Å; I245-V286 HydrophobicContact CD1-CB 4.36Å; I245-V286 HydrophobicContact CD1-CG1 3.89Å; I245-V286 HydrophobicContact CD1-CG2 3.81Å
246	T	96.1	Very high	92.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.9	-179.7	66.5	0	0	0	0	110	V211 H228 V235 I244 V253 R254 W256	V211-T246 HydrophobicContact CB-CG2 4.43Å; V211-T246 HydrophobicContact CG1-CG2 4.18Å; V211-T246 HydrophobicContact CG2-CG2 3.86Å; H228-T246 PolarHBondContact NE2-OG1 3.43Å; V235-T246 HydrophobicContact CG1-CG2 4.01Å; V235-T246 HydrophobicContact CG2-CG2 4.03Å; I244-T246 HydrophobicContact CG2-CG2 4Å; T246-V253 CarbonylContact O-C 3.53Å; T246-V253 VanDerWaalsContact O-CA 3.31Å; T246-V253 WeakPolarHBondContact O-CA 3.41Å; T246-R254 PolarHBondContact N-O 2.92Å; T246-R254 PolarHBondContact O-N 3.24Å; T246-W256 PolarHBondContact OG1-NE1 2.81Å
247	G	95.9	Very high	91.9	Very high	2 Å²	2	12.3 Å²	12.3	2%	0.021	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	144.9	176.9	0	0	0	0	0	111.2	V232 S233 C234	V232-G247 WeakPolarHBondContact CG1-O 3.39Å; S233-G247 PolarHBondContact N-O 3.07Å; S233-G247 PolarHBondContact OG-O 3.45Å; C234-G247 PolarHBondContact N-O 3.41Å; C234-G247 PolarHBondContact O-N 2.95Å
248	S	96.3	Very high	91.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	159.4	-173.7	175.6	0	0	0	0	113.3	H228 Q230 N231 D250 G251 T252 V274	H228-S248 VanDerWaalsContact CE1-CB 3.47Å; H228-S248 WeakPolarHBondContact CE1-CB 3.49Å; H228-S248 WeakPolarHBondContact ND1-CB 3.39Å; Q230-S248 PolarHBondContact O-OG 2.99Å; N231-S248 VanDerWaalsContact O-CA 3.31Å; N231-S248 WeakPolarHBondContact O-CA 3.4Å; N231-S248 WeakPolarHBondContact O-CB 3.4Å; N231-S248 PolarHBondContact O-OG 2.95Å; S248-D250 WeakPolarHBondContact CB-OD1 3.5Å; S248-D250 PolarHBondContact O-N 3.48Å; S248-D250 VanDerWaalsContact O-N 3.14Å; S248-D250 PolarHBondContact OG-N 2.79Å; S248-D250 VanDerWaalsContact OG-N 3.12Å; S248-G251 PolarHBondContact O-N 3.08Å; S248-T252 PolarHBondContact N-O 3.23Å; S248-V274 PolarHBondContact O-N 2.8Å
249	E	95.6	Very high	91.2	Very high	48 Å²	48	15.1 Å²	15.1	22%	0.224	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	3.9	165.5	-63.2	-164.3	-100.9	0	0	113.7	Q230 N231 G251 R273 W275	Q230-E249 HydrophobicContact CB-CB 3.98Å; N231-E249 HydrophobicContact CB-CG 4.45Å; N231-E249 PolarHBondContact ND2-OE1 3.18Å; N231-E249 PolarHBondContact O-N 3.18Å; E249-G251 VanDerWaalsContact C-N 3.27Å; E249-R273 HydrophobicContact CB-CG 4.11Å; E249-R273 HydrophobicContact CG-CG 4.49Å; E249-R273 WeakPolarHBondContact OE2-CD 3.35Å; E249-R273 IonicContact OE2-CZ 2.8Å; E249-R273 IonicContact OE2-NE 3.45Å; E249-R273 IonicContact OE2-NH1 2.71Å; E249-R273 PolarHBondContact OE2-NH1 3.45Å; E249-W275 HydrophobicContact CG-CZ3 4.45Å
250	D	93.9	Very high	91.2	Very high	33 Å²	33	18.4 Å²	18.4	18%	0.176	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-1	163.6	72.7	13.7	0	0	0	113.6	H228 A229 Q230 S248 T252 R254	H228-D250 WeakPolarHBondContact CA-OD2 3.38Å; H228-D250 IonicContact CE1-OD1 3.89Å; H228-D250 IonicContact CG-OD2 3.69Å; H228-D250 IonicContact ND1-OD1 3.34Å; H228-D250 PolarHBondContact ND1-OD1 2.98Å; H228-D250 IonicContact ND1-OD2 2.94Å; H228-D250 PolarHBondContact ND1-OD2 3.33Å; A229-D250 HydrophobicContact CB-CB 3.86Å; A229-D250 PolarHBondContact N-OD2 3.22Å; Q230-D250 HydrophobicContact CB-CB 4.26Å; Q230-D250 HydrophobicContact CG-CB 4.22Å; S248-D250 WeakPolarHBondContact CB-OD1 3.5Å; S248-D250 PolarHBondContact O-N 3.48Å; S248-D250 VanDerWaalsContact O-N 3.14Å; S248-D250 PolarHBondContact OG-N 2.79Å; S248-D250 VanDerWaalsContact OG-N 3.12Å; D250-T252 PolarHBondContact O-N 3.08Å; D250-T252 WeakPolarHBondContact OD1-CA 3.37Å; D250-T252 VanDerWaalsContact OD1-CB 3.28Å; D250-T252 WeakPolarHBondContact OD1-CB 3.48Å; D250-T252 PolarHBondContact OD1-N 3.49Å; D250-T252 PolarHBondContact OD1-OG1 3.48Å; D250-T252 PolarHBondContact OD2-OG1 3.05Å; D250-R254 IonicContact OD2-NH2 3.36Å; D250-R254 PolarHBondContact OD2-NH2 2.96Å
251	G	93.1	Very high	91.5	Very high	5 Å²	5	18 Å²	18	5%	0.052	10%	0.099	C	C	.	.	S	Bend	trans	75.3	3.9	-179.3	0	0	0	0	0	114.3	S248 E249 E272	S248-G251 PolarHBondContact O-N 3.08Å; E249-G251 VanDerWaalsContact C-N 3.27Å; G251-E272 WeakPolarHBondContact CA-O 3.37Å
252	T	95.1	Very high	91.7	Very high	17 Å²	17	21.7 Å²	21.7	10%	0.104	11%	0.111	C	C	.	.			trans	-97.4	142.3	175.6	74.6	0	0	0	0	111.8	H228 S248 D250 R254 T266 L267 N268	H228-T252 PolarHBondContact CE1-OG1 3.44Å; H228-T252 PolarHBondContact ND1-OG1 2.9Å; S248-T252 PolarHBondContact N-O 3.23Å; D250-T252 PolarHBondContact O-N 3.08Å; D250-T252 WeakPolarHBondContact OD1-CA 3.37Å; D250-T252 VanDerWaalsContact OD1-CB 3.28Å; D250-T252 WeakPolarHBondContact OD1-CB 3.48Å; D250-T252 PolarHBondContact OD1-N 3.49Å; D250-T252 PolarHBondContact OD1-OG1 3.48Å; D250-T252 PolarHBondContact OD2-OG1 3.05Å; T252-R254 PolarHBondContact OG1-NE 3.21Å; T252-T266 HydrophobicContact CG2-CG2 3.95Å; T252-L267 CarbonylContact C-O 3.55Å; T252-L267 VanDerWaalsContact CA-O 3.31Å; T252-L267 WeakPolarHBondContact CA-O 3.43Å; T252-N268 HydrophobicContact CG2-CB 4.46Å
253	V	95.6	Very high	91.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.6	164	175.7	0	0	0	0	107.3	I245 T246 L267 V274 L288 Y290	I245-V253 HydrophobicContact CG2-CG1 3.57Å; T246-V253 CarbonylContact O-C 3.53Å; T246-V253 VanDerWaalsContact O-CA 3.31Å; T246-V253 WeakPolarHBondContact O-CA 3.41Å; V253-L267 HydrophobicContact CB-CB 4.35Å; V253-L267 PolarHBondContact N-O 3.23Å; V253-L267 WeakPolarHBondContact O-CB 3.25Å; V253-L267 PolarHBondContact O-N 3.38Å; V253-V274 HydrophobicContact CG2-CB 4.47Å; V253-V274 HydrophobicContact CG2-CG1 4.02Å; V253-V274 HydrophobicContact CG2-CG2 3.58Å; V253-L288 HydrophobicContact CG1-CD1 4.35Å; V253-L288 HydrophobicContact CG1-CD2 4.11Å; V253-L288 HydrophobicContact CG2-CD1 4.15Å; V253-L288 HydrophobicContact CG2-CD2 4.02Å; V253-Y290 WeakPolarHBondContact CG2-OH 3.32Å
254	R	94.8	Very high	91.7	Very high	34 Å²	34	26.4 Å²	26.4	13%	0.128	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.8	-177.2	-67.2	-177.5	-166.2	-157.3	13	110.6	G227 H228 I245 T246 D250 T252 W256 L263 T266	G227-R254 PolarHBondContact O-NH1 2.91Å; G227-R254 PolarHBondContact O-NH2 3.4Å; H228-R254 PolarHBondContact CE1-NE 3.04Å; H228-R254 PolarHBondContact ND1-NE 3.35Å; I245-R254 WeakPolarHBondContact CA-O 3.41Å; T246-R254 PolarHBondContact N-O 2.92Å; T246-R254 PolarHBondContact O-N 3.24Å; D250-R254 IonicContact OD2-NH2 3.36Å; D250-R254 PolarHBondContact OD2-NH2 2.96Å; T252-R254 PolarHBondContact OG1-NE 3.21Å; R254-W256 HydrophobicContact CB-CZ2 4.19Å; R254-L263 HydrophobicContact CB-CD1 3.67Å; R254-L263 HydrophobicContact CG-CD1 3.97Å; R254-T266 HydrophobicContact CG-CG2 3.99Å
255	I	93.6	Very high	91.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.5	177	-56.4	179.3	0	0	0	107.8	L5 I7 I243 I244 E264 S265 L267	L5-I255 HydrophobicContact CD1-CD1 4.28Å; L5-I255 HydrophobicContact CD1-CG2 3.78Å; I7-I255 HydrophobicContact CD1-CD1 3.64Å; I243-I255 HydrophobicContact CB-CG2 3.95Å; I243-I255 HydrophobicContact CD1-CG2 3.99Å; I243-I255 HydrophobicContact CG1-CG2 4.41Å; I243-I255 HydrophobicContact CG2-CG2 4.23Å; I244-I255 WeakPolarHBondContact O-CA 3.34Å; I255-E264 PolarHBondContact O-N 3.11Å; I255-S265 PolarHBondContact N-O 3.13Å; I255-S265 PolarHBondContact O-N 3.39Å; I255-L267 HydrophobicContact CD1-CD1 4.05Å
256	W	92.3	Very high	91.3	Very high	13 Å²	13	31.2 Å²	31.2	5%	0.049	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	152.1	179.9	-42.7	75	0	0	0	109.7	L225 E226 I243 I244 T246 R254 R262 L263	L225-W256 HydrophobicContact CB-CD2 4.42Å; L225-W256 HydrophobicContact CB-CE3 4.21Å; L225-W256 HydrophobicContact CB-CH2 4.19Å; L225-W256 HydrophobicContact CB-CZ2 4.38Å; L225-W256 HydrophobicContact CB-CZ3 4.1Å; L225-W256 HydrophobicContact CD1-CB 4.41Å; L225-W256 HydrophobicContact CD1-CD2 4.01Å; L225-W256 HydrophobicContact CD1-CE3 4.38Å; L225-W256 HydrophobicContact CD1-CG 4.01Å; L225-W256 HydrophobicContact CD2-CE3 4.43Å; E226-W256 WeakPolarHBondContact O-CH2 3.18Å; I243-W256 CarbonylContact C-O 3.59Å; I243-W256 VanDerWaalsContact CA-O 3.26Å; I243-W256 WeakPolarHBondContact CA-O 3.47Å; I244-W256 HydrophobicContact CB-CB 4.25Å; I244-W256 PolarHBondContact N-O 3.17Å; I244-W256 PolarHBondContact O-N 2.86Å; T246-W256 PolarHBondContact OG1-NE1 2.81Å; R254-W256 HydrophobicContact CB-CZ2 4.19Å; W256-R262 VanDerWaalsContact CA-O 3.28Å; W256-R262 WeakPolarHBondContact CA-O 3.48Å; W256-L263 HydrophobicContact CD2-CB 4.48Å; W256-L263 HydrophobicContact CD2-CD1 4.09Å; W256-L263 HydrophobicContact CE3-CB 3.86Å; W256-L263 HydrophobicContact CE3-CD1 4.27Å; W256-L263 HydrophobicContact CH2-CB 4.48Å; W256-L263 HydrophobicContact CH2-CD1 4.38Å; W256-L263 HydrophobicContact CZ2-CD1 4.21Å; W256-L263 HydrophobicContact CZ3-CB 3.87Å; W256-L263 HydrophobicContact CZ3-CD1 4.41Å
257	H	88.4	Confident	91.2	Very high	13 Å²	13	32.1 Å²	32.1	6%	0.06	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	128.7	176.7	-171.2	-19.3	0	0	0	111.2	P242 S259 T260 Y261 R262 E264	P242-H257 PolarHBondContact O-ND1 2.87Å; H257-S259 VanDerWaalsContact C-N 3.33Å; H257-S259 PolarHBondContact ND1-N 2.84Å; H257-S259 PolarHBondContact O-N 2.67Å; H257-T260 WeakPolarHBondContact CB-OG1 3.42Å; H257-T260 PolarHBondContact CD2-OG1 2.7Å; H257-T260 VanDerWaalsContact CD2-OG1 3.26Å; H257-T260 VanDerWaalsContact CG-OG1 3.31Å; H257-Y261 VanDerWaalsContact O-CA 3.25Å; H257-Y261 WeakPolarHBondContact O-CA 3.42Å; H257-Y261 PolarHBondContact O-N 2.65Å; H257-R262 HydrophobicContact CB-CG 4.42Å; H257-R262 PolarHBondContact N-O 2.98Å; H257-E264 HydrophobicContact CB-CG 4.07Å; H257-E264 WeakPolarHBondContact CB-OE1 3.49Å; H257-E264 IonicContact CD2-OE1 3.79Å; H257-E264 PolarHBondContact CD2-OE1 3.1Å; H257-E264 IonicContact CG-OE1 2.91Å
258	S	85.5	Confident	91	Very high	7 Å²	7	36.7 Å²	36.7	5%	0.049	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.5	-173.7	70.9	0	0	0	0	115.9	P242 Y261	P242-S258 WeakPolarHBondContact CA-OG 3.27Å; P242-S258 WeakPolarHBondContact O-CB 3.36Å; P242-S258 PolarHBondContact O-N 3.29Å; P242-S258 PolarHBondContact O-OG 3.08Å; P242-S258 VanDerWaalsContact O-OG 3.05Å; S258-Y261 WeakPolarHBondContact O-CE1 3.23Å
259	S	82.9	Confident	90.7	Very high	60 Å²	60	39.4 Å²	39.4	42%	0.42	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-33.7	177.2	-67.6	0	0	0	0	113.5	K199 H257	K199-S259 PolarHBondContact NZ-OG 3.26Å; H257-S259 VanDerWaalsContact C-N 3.33Å; H257-S259 PolarHBondContact ND1-N 2.84Å; H257-S259 PolarHBondContact O-N 2.67Å
260	T	84.4	Confident	90.4	Very high	76 Å²	76	39.4 Å²	39.4	47%	0.466	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-9.1	-176.3	62.6	0	0	0	0	114	H257 R262	H257-T260 WeakPolarHBondContact CB-OG1 3.42Å; H257-T260 PolarHBondContact CD2-OG1 2.7Å; H257-T260 VanDerWaalsContact CD2-OG1 3.26Å; H257-T260 VanDerWaalsContact CG-OG1 3.31Å; T260-R262 PolarHBondContact O-N 3.34Å
261	Y	89.1	Confident	90.3	Very high	39 Å²	39	38 Å²	38	15%	0.153	21%	0.211	C	C	.	.			trans	57.7	9.5	176.7	-53.5	-48.8	0	0	0	116.2	Y201 I213 V222 Q223 L225 I244 H257 S258	Y201-Y261 WeakPolarHBondContact CE2-OH 3.37Å; I213-Y261 HydrophobicContact CD1-CD1 3.47Å; I213-Y261 VanDerWaalsContact CD1-CD1 3.47Å; I213-Y261 HydrophobicContact CD1-CE1 3.26Å; I213-Y261 HydrophobicContact CD1-CG 4.42Å; V222-Y261 HydrophobicContact CG1-CE2 4.31Å; Q223-Y261 HydrophobicContact CB-CD2 3.8Å; Q223-Y261 HydrophobicContact CB-CE2 3.9Å; Q223-Y261 HydrophobicContact CB-CG 4.24Å; Q223-Y261 HydrophobicContact CG-CD2 3.66Å; Q223-Y261 HydrophobicContact CG-CE2 4.29Å; Q223-Y261 HydrophobicContact CG-CG 3.83Å; L225-Y261 HydrophobicContact CD2-CD1 4.34Å; L225-Y261 HydrophobicContact CD2-CG 4.27Å; I244-Y261 HydrophobicContact CD1-CD1 4.42Å; H257-Y261 VanDerWaalsContact O-CA 3.25Å; H257-Y261 WeakPolarHBondContact O-CA 3.42Å; H257-Y261 PolarHBondContact O-N 2.65Å; S258-Y261 WeakPolarHBondContact O-CE1 3.23Å
262	R	88.6	Confident	90.3	Very high	98 Å²	98	43.9 Å²	43.9	37%	0.37	24%	0.237	S	C	.	.			trans	-75.3	151.8	172.1	75	-175.4	179.5	-152.8	-11.7	111.1	M1 W256 H257 T260 E264	M1-R262 PolarHBondContact O-NH1 3.48Å; M1-R262 PolarHBondContact O-NH2 3.4Å; W256-R262 VanDerWaalsContact CA-O 3.28Å; W256-R262 WeakPolarHBondContact CA-O 3.48Å; H257-R262 HydrophobicContact CB-CG 4.42Å; H257-R262 PolarHBondContact N-O 2.98Å; T260-R262 PolarHBondContact O-N 3.34Å; R262-E264 IonicContact CZ-OE1 2.7Å; R262-E264 IonicContact CZ-OE2 3.58Å; R262-E264 IonicContact NE-OE1 3.35Å; R262-E264 PolarHBondContact NE-OE1 3.4Å; R262-E264 IonicContact NE-OE2 3.14Å; R262-E264 IonicContact NH2-OE1 2.73Å; R262-E264 PolarHBondContact NH2-OE1 2.99Å; R262-E264 IonicContact NH2-OE2 3.58Å; R262-E264 PolarHBondContact O-N 3.4Å
263	L	89.7	Confident	90.3	Very high	69 Å²	69	46.7 Å²	46.7	36%	0.361	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	120.2	166.8	-176.8	61.7	0	0	0	109.3	R254 W256 S265	R254-L263 HydrophobicContact CB-CD1 3.67Å; R254-L263 HydrophobicContact CG-CD1 3.97Å; W256-L263 HydrophobicContact CD2-CB 4.48Å; W256-L263 HydrophobicContact CD2-CD1 4.09Å; W256-L263 HydrophobicContact CE3-CB 3.86Å; W256-L263 HydrophobicContact CE3-CD1 4.27Å; W256-L263 HydrophobicContact CH2-CB 4.48Å; W256-L263 HydrophobicContact CH2-CD1 4.38Å; W256-L263 HydrophobicContact CZ2-CD1 4.21Å; W256-L263 HydrophobicContact CZ3-CB 3.87Å; W256-L263 HydrophobicContact CZ3-CD1 4.41Å; L263-S265 WeakPolarHBondContact CD1-O 3.25Å
264	E	86.7	Confident	90.4	Very high	37 Å²	37	46.7 Å²	46.7	17%	0.173	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-42.5	175.7	-64.2	-73.3	174.1	0	0	111.1	P2 L3 I255 H257 R262	P2-E264 WeakPolarHBondContact CA-OE2 3.2Å; L3-E264 PolarHBondContact N-OE2 3.43Å; I255-E264 PolarHBondContact O-N 3.11Å; H257-E264 HydrophobicContact CB-CG 4.07Å; H257-E264 WeakPolarHBondContact CB-OE1 3.49Å; H257-E264 IonicContact CD2-OE1 3.79Å; H257-E264 PolarHBondContact CD2-OE1 3.1Å; H257-E264 IonicContact CG-OE1 2.91Å; R262-E264 IonicContact CZ-OE1 2.7Å; R262-E264 IonicContact CZ-OE2 3.58Å; R262-E264 IonicContact NE-OE1 3.35Å; R262-E264 PolarHBondContact NE-OE1 3.4Å; R262-E264 IonicContact NE-OE2 3.14Å; R262-E264 IonicContact NH2-OE1 2.73Å; R262-E264 PolarHBondContact NH2-OE1 2.99Å; R262-E264 IonicContact NH2-OE2 3.58Å; R262-E264 PolarHBondContact O-N 3.4Å
265	S	88.7	Confident	90.4	Very high	38 Å²	38	47.5 Å²	47.5	27%	0.266	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	150.7	-176.7	-172.8	0	0	0	0	112.2	I255 L263	I255-S265 PolarHBondContact N-O 3.13Å; I255-S265 PolarHBondContact O-N 3.39Å; L263-S265 WeakPolarHBondContact CD1-O 3.25Å
266	T	92.2	Very high	90.4	Very high	66 Å²	66	48.1 Å²	48.1	41%	0.405	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	116.5	171.4	-60	0	0	0	0	108.4	T252 R254	T252-T266 HydrophobicContact CG2-CG2 3.95Å; R254-T266 HydrophobicContact CG-CG2 3.99Å
267	L	92.3	Very high	90.6	Very high	20 Å²	20	48.7 Å²	48.7	11%	0.105	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.1	178.9	-54.5	174.5	0	0	0	109	I7 T252 V253 I255 Y269 I297	I7-L267 HydrophobicContact CD1-CD1 4.47Å; I7-L267 HydrophobicContact CD1-CD2 4.14Å; I7-L267 HydrophobicContact CG2-CD1 4.29Å; T252-L267 CarbonylContact C-O 3.55Å; T252-L267 VanDerWaalsContact CA-O 3.31Å; T252-L267 WeakPolarHBondContact CA-O 3.43Å; V253-L267 HydrophobicContact CB-CB 4.35Å; V253-L267 PolarHBondContact N-O 3.23Å; V253-L267 WeakPolarHBondContact O-CB 3.25Å; V253-L267 PolarHBondContact O-N 3.38Å; I255-L267 HydrophobicContact CD1-CD1 4.05Å; L267-Y269 HydrophobicContact CB-CE2 4.16Å; L267-Y269 HydrophobicContact CD1-CE2 4.36Å; L267-I297 HydrophobicContact CD1-CD1 3.79Å
268	N	92.8	Very high	90.8	Very high	97 Å²	97	49 Å²	49	52%	0.519	26%	0.261	S	S	.	.			trans	-138.2	126.1	166.7	-174.2	-29.3	0	0	0	107.4	T252 G270	T252-N268 HydrophobicContact CG2-CB 4.46Å; N268-G270 PolarHBondContact OD1-N 3.06Å
269	Y	89.5	Confident	90.9	Very high	57 Å²	57	49.6 Å²	49.6	22%	0.224	27%	0.268	C	S	.	.			trans	-111.6	5	-177.5	-63.1	-55.9	0	0	0	113.5	R9 L267 M271 I295 I297	R9-Y269 HydrophobicContact CG-CE1 4.29Å; L267-Y269 HydrophobicContact CB-CE2 4.16Å; L267-Y269 HydrophobicContact CD1-CE2 4.36Å; Y269-M271 VanDerWaalsContact C-N 3.34Å; Y269-M271 PolarHBondContact O-N 3.45Å; Y269-I295 HydrophobicContact CD2-CD1 3.56Å; Y269-I295 HydrophobicContact CD2-CG2 4.4Å; Y269-I295 HydrophobicContact CE2-CD1 4.46Å; Y269-I295 HydrophobicContact CE2-CG2 4.34Å; Y269-I295 HydrophobicContact CG-CD1 3.69Å; Y269-I297 HydrophobicContact CE2-CG2 4.05Å; Y269-I297 WeakPolarHBondContact OH-CG2 3.32Å
270	G	90.5	Very high	90.8	Very high	49 Å²	49	48.2 Å²	48.2	51%	0.505	26%	0.256	S	S	.	.	S	Bend	trans	72.6	19	175.2	0	0	0	0	0	115.6	N268 E272	N268-G270 PolarHBondContact OD1-N 3.06Å; G270-E272 VanDerWaalsContact C-N 3.32Å
271	M	90.4	Very high	90.6	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.02	26%	0.26	C	S	.	.	S	Bend	trans	-97.7	29.7	-178.2	-58.1	-83	-78.1	0	0	111.9	R14 Y269 Y290 D291 E292 I295	R14-M271 HydrophobicContact CG-CE 3.91Å; R14-M271 HydrophobicContact CG-SD 4.14Å; Y269-M271 VanDerWaalsContact C-N 3.34Å; Y269-M271 PolarHBondContact O-N 3.45Å; M271-Y290 HydrophobicContact CB-CD1 3.78Å; M271-Y290 HydrophobicContact CB-CD2 4.4Å; M271-Y290 HydrophobicContact CB-CE1 4.46Å; M271-Y290 HydrophobicContact CB-CG 3.74Å; M271-Y290 WeakPolarHBondContact O-CB 3.29Å; M271-D291 PolarHBondContact O-N 3.18Å; M271-E292 HydrophobicContact CB-CB 4.16Å; M271-E292 HydrophobicContact CE-CB 4.24Å; M271-E292 VanDerWaalsContact CE-O 3.24Å; M271-E292 WeakPolarHBondContact CE-O 3.29Å; M271-E292 PolarHBondContact O-N 3.01Å; M271-E292 HydrophobicContact SD-CB 4.16Å; M271-I295 HydrophobicContact CG-CD1 4.11Å
272	E	93.9	Very high	90	Very high	128 Å²	128	50.9 Å²	50.9	60%	0.598	27%	0.265	S	S	*	.	S	Bend	trans	52.2	-138.7	-167	-59.9	-162.5	149.5	0	0	113.9	G251 G270 D291	G251-E272 WeakPolarHBondContact CA-O 3.37Å; G270-E272 VanDerWaalsContact C-N 3.32Å; E272-D291 HydrophobicContact CB-CB 3.75Å
273	R	95.5	Very high	89.7	Confident	75 Å²	75	46.9 Å²	46.9	28%	0.283	25%	0.252	S	S	.	.			trans	-73.8	146.6	-167.3	-65	-180	-70.1	173.5	-4.1	113	E249 Y290 D291	E249-R273 HydrophobicContact CB-CG 4.11Å; E249-R273 HydrophobicContact CG-CG 4.49Å; E249-R273 WeakPolarHBondContact OE2-CD 3.35Å; E249-R273 IonicContact OE2-CZ 2.8Å; E249-R273 IonicContact OE2-NE 3.45Å; E249-R273 IonicContact OE2-NH1 2.71Å; E249-R273 PolarHBondContact OE2-NH1 3.45Å; R273-Y290 CarbonylContact O-C 3.59Å; R273-Y290 WeakPolarHBondContact O-CA 3.47Å; R273-D291 IonicContact CZ-OD2 3.82Å; R273-D291 IonicContact NE-OD2 3.33Å; R273-D291 PolarHBondContact NE-OD2 3.31Å; R273-D291 IonicContact NH2-OD1 3.17Å; R273-D291 IonicContact NH2-OD2 2.77Å; R273-D291 PolarHBondContact NH2-OD2 3.37Å; R273-D291 PolarHBondContact O-N 3.44Å
274	V	96.4	Very high	89.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	141.6	170	-164.5	0	0	0	0	109.5	S233 S248 V253 Y290	S233-V274 WeakPolarHBondContact CB-O 3.43Å; S233-V274 PolarHBondContact OG-O 3.05Å; S248-V274 PolarHBondContact O-N 2.8Å; V253-V274 HydrophobicContact CG2-CB 4.47Å; V253-V274 HydrophobicContact CG2-CG1 4.02Å; V253-V274 HydrophobicContact CG2-CG2 3.58Å; V274-Y290 HydrophobicContact CG2-CD1 4.21Å; V274-Y290 HydrophobicContact CG2-CE1 3.68Å
275	W	95.6	Very high	89.8	Confident	51 Å²	51	42.4 Å²	42.4	19%	0.193	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-33.8	176.7	-71.1	118.3	0	0	0	115.1	V18 K19 E249 G289 D291	V18-W275 WeakPolarHBondContact O-CB 3.37Å; K19-W275 VanDerWaalsContact NZ-CG 3.3Å; E249-W275 HydrophobicContact CG-CZ3 4.45Å; W275-G289 PolarHBondContact N-O 3.43Å; W275-D291 PolarHBondContact NE1-OD1 2.79Å
276	C	93.8	Very high	90	Very high	14 Å²	14	40.6 Å²	40.6	10%	0.095	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	151.7	-173.8	52.6	0	0	0	0	111.9	S20 V21 C234 L288 G289	S20-C276 VanDerWaalsContact C-SG 3.59Å; S20-C276 VanDerWaalsContact CA-SG 3.56Å; V21-C276 HydrophobicContact CG2-CB 4.38Å; C234-C276 VanDerWaalsContact SG-C 3.54Å; C276-L288 WeakPolarHBondContact O-CA 3.42Å; C276-G289 PolarHBondContact O-N 2.94Å
277	V	95.1	Very high	90.1	Very high	25 Å²	25	37.5 Å²	37.5	15%	0.152	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.7	174.8	61.5	0	0	0	0	109.3	C234 I245 V286 A287 L288	C234-V277 HydrophobicContact CB-CG1 3.99Å; I245-V277 HydrophobicContact CG2-CG2 4.1Å; V277-V286 HydrophobicContact CG2-CG1 3.54Å; V277-A287 WeakPolarHBondContact CA-O 3.09Å; V277-L288 HydrophobicContact CB-CD2 3.99Å; V277-L288 HydrophobicContact CG2-CD2 3.71Å
278	C	92.3	Very high	90.3	Very high	19 Å²	19	36.6 Å²	36.6	13%	0.128	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	122.2	170.8	177.7	0	0	0	0	109.5	V21 V286 A287	V21-C278 HydrophobicContact CG2-CB 3.88Å; C278-V286 CarbonylContact O-C 3.46Å; C278-V286 WeakPolarHBondContact O-CA 3.32Å; C278-A287 HydrophobicContact CB-CB 4.45Å; C278-A287 PolarHBondContact N-O 3.29Å; C278-A287 PolarHBondContact O-N 3.23Å
279	G	87.6	Confident	90.4	Very high	19 Å²	19	32 Å²	32	20%	0.196	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.8	169	0	0	0	0	0	110.7
280	L	82.8	Confident	90.7	Very high	31 Å²	31	29.2 Å²	29.2	16%	0.162	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-80.7	124.2	177.7	172.9	58.9	0	0	0	110.8	L23 P239 S283 N285	L23-L280 HydrophobicContact CB-CB 3.97Å; L23-L280 HydrophobicContact CB-CD2 4.36Å; L23-L280 HydrophobicContact CD1-CB 3.7Å; L23-L280 HydrophobicContact CG-CB 4.48Å; P239-L280 WeakPolarHBondContact CG-O 3.33Å; L280-S283 PolarHBondContact O-N 3.28Å; L280-S283 VanDerWaalsContact O-N 3.16Å; L280-S283 VanDerWaalsContact O-O 3.1Å; L280-N285 PolarHBondContact N-O 3.34Å
281	R	78.4	Confident	91	Very high	147 Å²	147	27.5 Å²	27.5	56%	0.555	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	140.2	171.9	-56.8	-170.7	-169.2	178.9	8.4	110	P239 S283	P239-R281 HydrophobicContact CB-CB 4.32Å; P239-R281 HydrophobicContact CB-CG 3.92Å; P239-R281 HydrophobicContact CG-CG 4.38Å; R281-S283 PolarHBondContact O-N 3.49Å
282	G	77	Confident	91.2	Very high	25 Å²	25	30.5 Å²	30.5	26%	0.258	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	-19.6	-173.9	0	0	0	0	0	114.9	E240 K578	E240-G282 PolarHBondContact OE1-N 3.41Å; G282-K578 VanDerWaalsContact O-CD 3.26Å; G282-K578 WeakPolarHBondContact O-CD 3.21Å; G282-K578 WeakPolarHBondContact O-CE 3.34Å; G282-K578 PolarHBondContact O-NZ 3.4Å
283	S	82.9	Confident	91.2	Very high	14 Å²	14	24.4 Å²	24.4	10%	0.098	12%	0.122	C	C	.	.	S	Bend	trans	-108.1	169.1	173.5	-176.7	0	0	0	0	111.6	L280 R281 N285 E302 K578	L280-S283 PolarHBondContact O-N 3.28Å; L280-S283 VanDerWaalsContact O-N 3.16Å; L280-S283 VanDerWaalsContact O-O 3.1Å; R281-S283 PolarHBondContact O-N 3.49Å; S283-N285 WeakPolarHBondContact OG-CB 3.43Å; S283-N285 PolarHBondContact OG-N 3.02Å; S283-E302 WeakPolarHBondContact CA-OE1 3.29Å; S283-E302 PolarHBondContact OG-OE1 3.15Å; S283-K578 VanDerWaalsContact CA-NZ 3.31Å; S283-K578 PolarHBondContact O-NZ 2.84Å
284	N	87.2	Confident	91.1	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.011	11%	0.109	C	C	.	.			trans	-109.4	15.8	162.5	-57.9	3.8	0	0	0	112	V299 R301 E302 K578	N284-V299 WeakPolarHBondContact CB-O 3.34Å; N284-V299 PolarHBondContact ND2-O 3.43Å; N284-V299 PolarHBondContact O-N 3.06Å; N284-R301 PolarHBondContact ND2-O 3.49Å; N284-E302 HydrophobicContact CB-CG 4.09Å; N284-E302 PolarHBondContact N-OE1 2.87Å; N284-K578 WeakPolarHBondContact OD1-CE 3.47Å; N284-K578 PolarHBondContact OD1-NZ 2.83Å
285	N	90.4	Very high	91	Very high	9 Å²	9	20.9 Å²	20.9	5%	0.048	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	127.6	170.4	-68.1	-18.6	0	0	0	109.4	H44 L280 S283 I296 K298	H44-N285 PolarHBondContact NE2-ND2 3.19Å; L280-N285 PolarHBondContact N-O 3.34Å; S283-N285 WeakPolarHBondContact OG-CB 3.43Å; S283-N285 PolarHBondContact OG-N 3.02Å; N285-I296 HydrophobicContact CB-CG2 4.02Å; N285-K298 WeakPolarHBondContact OD1-CB 3.32Å
286	V	92.9	Very high	91	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.6	177.5	-178.6	0	0	0	0	108.5	I245 V277 C278 L288 I296 I297 V299	I245-V286 HydrophobicContact CD1-CB 4.36Å; I245-V286 HydrophobicContact CD1-CG1 3.89Å; I245-V286 HydrophobicContact CD1-CG2 3.81Å; V277-V286 HydrophobicContact CG2-CG1 3.54Å; C278-V286 CarbonylContact O-C 3.46Å; C278-V286 WeakPolarHBondContact O-CA 3.32Å; V286-L288 HydrophobicContact CG1-CD2 4.45Å; V286-I296 WeakPolarHBondContact O-CA 3.49Å; V286-I297 HydrophobicContact CB-CG1 4.02Å; V286-I297 PolarHBondContact N-O 3.04Å; V286-I297 PolarHBondContact O-N 3.2Å; V286-V299 HydrophobicContact CG2-CG2 4.19Å
287	A	95	Very high	91	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	142.6	172.5	0	0	0	0	0	110.9	V21 L23 M30 V277 C278 I296	V21-A287 HydrophobicContact CB-CB 4.01Å; V21-A287 HydrophobicContact CG2-CB 3.84Å; L23-A287 HydrophobicContact CD1-CB 4.09Å; L23-A287 HydrophobicContact CD2-CB 4.07Å; L23-A287 HydrophobicContact CG-CB 4.02Å; M30-A287 HydrophobicContact CE-CB 4.11Å; M30-A287 HydrophobicContact CG-CB 4.02Å; M30-A287 HydrophobicContact SD-CB 4.42Å; V277-A287 WeakPolarHBondContact CA-O 3.09Å; C278-A287 HydrophobicContact CB-CB 4.45Å; C278-A287 PolarHBondContact N-O 3.29Å; C278-A287 PolarHBondContact O-N 3.23Å; A287-I296 HydrophobicContact CB-CG1 4.3Å
288	L	95.6	Very high	90.7	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.6	-179.2	-63.9	167.9	0	0	0	108.9	V253 C276 V277 V286 Y290 S294 I295 I297	V253-L288 HydrophobicContact CG1-CD1 4.35Å; V253-L288 HydrophobicContact CG1-CD2 4.11Å; V253-L288 HydrophobicContact CG2-CD1 4.15Å; V253-L288 HydrophobicContact CG2-CD2 4.02Å; C276-L288 WeakPolarHBondContact O-CA 3.42Å; V277-L288 HydrophobicContact CB-CD2 3.99Å; V277-L288 HydrophobicContact CG2-CD2 3.71Å; V286-L288 HydrophobicContact CG1-CD2 4.45Å; L288-Y290 HydrophobicContact CB-CD2 4.34Å; L288-Y290 HydrophobicContact CB-CE2 3.67Å; L288-Y290 HydrophobicContact CD1-CE2 4.49Å; L288-S294 WeakPolarHBondContact O-CA 3.31Å; L288-I295 PolarHBondContact N-O 3.15Å; L288-I295 PolarHBondContact O-N 3.49Å; L288-I297 HydrophobicContact CD1-CD1 4Å; L288-I297 HydrophobicContact CD1-CG1 4.23Å
289	G	95.8	Very high	90.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	137.4	174.7	0	0	0	0	0	112.2	W275 C276	W275-G289 PolarHBondContact N-O 3.43Å; C276-G289 PolarHBondContact O-N 2.94Å
290	Y	96.6	Very high	90.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	172.9	-171.2	-74.3	-91.7	0	0	0	112.3	V18 V253 M271 R273 V274 L288 G293 I295	V18-Y290 PolarHBondContact N-O 2.72Å; V253-Y290 WeakPolarHBondContact CG2-OH 3.32Å; M271-Y290 HydrophobicContact CB-CD1 3.78Å; M271-Y290 HydrophobicContact CB-CD2 4.4Å; M271-Y290 HydrophobicContact CB-CE1 4.46Å; M271-Y290 HydrophobicContact CB-CG 3.74Å; M271-Y290 WeakPolarHBondContact O-CB 3.29Å; R273-Y290 CarbonylContact O-C 3.59Å; R273-Y290 WeakPolarHBondContact O-CA 3.47Å; V274-Y290 HydrophobicContact CG2-CD1 4.21Å; V274-Y290 HydrophobicContact CG2-CE1 3.68Å; L288-Y290 HydrophobicContact CB-CD2 4.34Å; L288-Y290 HydrophobicContact CB-CE2 3.67Å; L288-Y290 HydrophobicContact CD1-CE2 4.49Å; Y290-G293 WeakPolarHBondContact CA-O 3.24Å; Y290-G293 WeakPolarHBondContact CB-O 3.34Å; Y290-G293 PolarHBondContact N-O 2.92Å; Y290-I295 HydrophobicContact CD2-CD1 4.41Å; Y290-I295 HydrophobicContact CD2-CG1 4.44Å; Y290-I295 HydrophobicContact CE2-CB 4.25Å; Y290-I295 HydrophobicContact CE2-CD1 3.97Å; Y290-I295 HydrophobicContact CE2-CG1 4.24Å
291	D	95.1	Very high	90	Very high	13 Å²	13	23 Å²	23	7%	0.07	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-35.3	170.2	-102.3	-17.1	0	0	0	113.1	R17 M271 E272 R273 W275	R17-D291 VanDerWaalsContact CA-O 3.23Å; R17-D291 WeakPolarHBondContact CA-O 3.33Å; R17-D291 IonicContact CZ-OD1 3.74Å; R17-D291 VanDerWaalsContact CZ-OD1 3.28Å; R17-D291 PolarHBondContact N-O 2.7Å; R17-D291 IonicContact NE-OD1 2.61Å; R17-D291 PolarHBondContact NE-OD1 3.13Å; R17-D291 IonicContact NH2-OD1 3.29Å; R17-D291 PolarHBondContact NH2-OD1 2.92Å; R17-D291 IonicContact NH2-OD2 2.96Å; M271-D291 PolarHBondContact O-N 3.18Å; E272-D291 HydrophobicContact CB-CB 3.75Å; R273-D291 IonicContact CZ-OD2 3.82Å; R273-D291 IonicContact NE-OD2 3.33Å; R273-D291 PolarHBondContact NE-OD2 3.31Å; R273-D291 IonicContact NH2-OD1 3.17Å; R273-D291 IonicContact NH2-OD2 2.77Å; R273-D291 PolarHBondContact NH2-OD2 3.37Å; R273-D291 PolarHBondContact O-N 3.44Å; W275-D291 PolarHBondContact NE1-OD1 2.79Å
292	E	94.6	Very high	89.8	Confident	67 Å²	67	17.7 Å²	17.7	31%	0.313	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	12	176.5	-65.9	-160	120.9	0	0	115.2	R14 S15 M271	R14-E292 WeakPolarHBondContact CA-O 3.01Å; R14-E292 IonicContact CZ-OE2 3.42Å; R14-E292 VanDerWaalsContact NH1-CD 3.27Å; R14-E292 IonicContact NH1-OE1 3.5Å; R14-E292 PolarHBondContact NH1-OE1 3.47Å; R14-E292 IonicContact NH1-OE2 2.73Å; R14-E292 PolarHBondContact NH1-OE2 3.14Å; R14-E292 IonicContact NH2-OE2 3.94Å; R14-E292 PolarHBondContact NH2-OE2 3.25Å; S15-E292 PolarHBondContact N-O 2.73Å; S15-E292 VanDerWaalsContact N-O 3.14Å; S15-E292 CarbonylContact O-C 3.59Å; M271-E292 HydrophobicContact CB-CB 4.16Å; M271-E292 HydrophobicContact CE-CB 4.24Å; M271-E292 VanDerWaalsContact CE-O 3.24Å; M271-E292 WeakPolarHBondContact CE-O 3.29Å; M271-E292 PolarHBondContact O-N 3.01Å; M271-E292 HydrophobicContact SD-CB 4.16Å
293	G	93.9	Very high	90.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.1	-144.8	174.2	0	0	0	0	0	115.8	A13 S15 V18 Y290	A13-G293 WeakPolarHBondContact O-CA 3.39Å; S15-G293 WeakPolarHBondContact OG-CA 3.32Å; V18-G293 VanDerWaalsContact CG2-C 3.48Å; V18-G293 VanDerWaalsContact CG2-O 3.25Å; V18-G293 WeakPolarHBondContact CG2-O 3.4Å; Y290-G293 WeakPolarHBondContact CA-O 3.24Å; Y290-G293 WeakPolarHBondContact CB-O 3.34Å; Y290-G293 PolarHBondContact N-O 2.92Å
294	S	94.4	Very high	90.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151.4	-177.2	67.1	0	0	0	0	114	A13 L288	A13-S294 PolarHBondContact N-O 2.89Å; A13-S294 PolarHBondContact O-N 3.34Å; L288-S294 WeakPolarHBondContact O-CA 3.31Å
295	I	94.9	Very high	90.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.1	-179.6	-65.9	-179.8	0	0	0	108.8	L11 T12 Y269 M271 L288 Y290 I297	L11-I295 WeakPolarHBondContact O-CA 3.48Å; T12-I295 HydrophobicContact CG2-CD1 4.29Å; T12-I295 HydrophobicContact CG2-CG1 4.03Å; Y269-I295 HydrophobicContact CD2-CD1 3.56Å; Y269-I295 HydrophobicContact CD2-CG2 4.4Å; Y269-I295 HydrophobicContact CE2-CD1 4.46Å; Y269-I295 HydrophobicContact CE2-CG2 4.34Å; Y269-I295 HydrophobicContact CG-CD1 3.69Å; M271-I295 HydrophobicContact CG-CD1 4.11Å; L288-I295 PolarHBondContact N-O 3.15Å; L288-I295 PolarHBondContact O-N 3.49Å; Y290-I295 HydrophobicContact CD2-CD1 4.41Å; Y290-I295 HydrophobicContact CD2-CG1 4.44Å; Y290-I295 HydrophobicContact CE2-CB 4.25Å; Y290-I295 HydrophobicContact CE2-CD1 3.97Å; Y290-I295 HydrophobicContact CE2-CG1 4.24Å; I295-I297 HydrophobicContact CG2-CG2 4.06Å
296	I	94.8	Very high	90.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.8	160.4	-58	-172.9	0	0	0	109.4	R10 L11 L23 M30 H44 N285 V286 A287	R10-I296 HydrophobicContact CB-CB 4.19Å; R10-I296 HydrophobicContact CB-CG2 4.09Å; R10-I296 PolarHBondContact N-O 2.83Å; L11-I296 HydrophobicContact CB-CB 4.21Å; L11-I296 HydrophobicContact CB-CG1 4.23Å; L11-I296 PolarHBondContact O-N 3.44Å; L23-I296 HydrophobicContact CD2-CD1 3.85Å; M30-I296 HydrophobicContact CB-CD1 3.98Å; M30-I296 HydrophobicContact CE-CD1 3.81Å; M30-I296 HydrophobicContact CE-CG1 3.35Å; M30-I296 HydrophobicContact CG-CD1 4.41Å; H44-I296 HydrophobicContact CB-CD1 3.38Å; H44-I296 HydrophobicContact CB-CG1 4.44Å; H44-I296 VanDerWaalsContact CG-CD1 3.45Å; N285-I296 HydrophobicContact CB-CG2 4.02Å; V286-I296 WeakPolarHBondContact O-CA 3.49Å; A287-I296 HydrophobicContact CB-CG1 4.3Å
297	I	92.9	Very high	90.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.3	165.8	59.5	176.4	0	0	0	109.2	I7 K8 R9 L267 Y269 V286 L288 I295 V299	I7-I297 HydrophobicContact CG2-CB 4.1Å; I7-I297 HydrophobicContact CG2-CD1 4.27Å; I7-I297 HydrophobicContact CG2-CG2 4.25Å; K8-I297 CarbonylContact O-C 3.53Å; K8-I297 WeakPolarHBondContact O-CA 3.39Å; R9-I297 HydrophobicContact CG-CG2 4.39Å; L267-I297 HydrophobicContact CD1-CD1 3.79Å; Y269-I297 HydrophobicContact CE2-CG2 4.05Å; Y269-I297 WeakPolarHBondContact OH-CG2 3.32Å; V286-I297 HydrophobicContact CB-CG1 4.02Å; V286-I297 PolarHBondContact N-O 3.04Å; V286-I297 PolarHBondContact O-N 3.2Å; L288-I297 HydrophobicContact CD1-CD1 4Å; L288-I297 HydrophobicContact CD1-CG1 4.23Å; I295-I297 HydrophobicContact CG2-CG2 4.06Å; I297-V299 HydrophobicContact CD1-CG2 3.93Å; I297-V299 HydrophobicContact CG1-CG2 3.96Å
298	K	90.7	Very high	89.9	Confident	42 Å²	42	23 Å²	23	18%	0.183	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126.7	160.7	174.9	165	170	163.8	0	107.7	K8 R10 N285 G300 E302	K8-K298 PolarHBondContact N-O 2.64Å; K8-K298 PolarHBondContact O-N 3.1Å; R10-K298 HydrophobicContact CG-CB 3.98Å; N285-K298 WeakPolarHBondContact OD1-CB 3.32Å; K298-G300 WeakPolarHBondContact CE-O 3.22Å; K298-E302 WeakPolarHBondContact CE-OE2 3.33Å; K298-E302 IonicContact NZ-OE2 2.66Å; K298-E302 PolarHBondContact NZ-OE2 2.99Å
299	V	87.4	Confident	89.6	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	108.9	-175.8	-173.7	0	0	0	0	109.7	L5 L241 I243 N284 V286 I297	L5-V299 HydrophobicContact CB-CG1 4.36Å; L5-V299 HydrophobicContact CD1-CG1 3.9Å; L5-V299 HydrophobicContact CD2-CG1 3.87Å; L5-V299 HydrophobicContact CG-CG1 4.26Å; L241-V299 HydrophobicContact CD1-CB 4.07Å; L241-V299 HydrophobicContact CD1-CG1 3.68Å; L241-V299 WeakPolarHBondContact CD1-O 3.43Å; I243-V299 HydrophobicContact CD1-CG1 3.73Å; N284-V299 WeakPolarHBondContact CB-O 3.34Å; N284-V299 PolarHBondContact ND2-O 3.43Å; N284-V299 PolarHBondContact O-N 3.06Å; V286-V299 HydrophobicContact CG2-CG2 4.19Å; I297-V299 HydrophobicContact CD1-CG2 3.93Å; I297-V299 HydrophobicContact CG1-CG2 3.96Å
300	G	81.2	Confident	89	Confident	12 Å²	12	28 Å²	28	12%	0.124	14%	0.142	C	C	.	.	S	Bend	trans	67.8	-162.3	-179.2	0	0	0	0	0	114.5	D6 K298	D6-G300 WeakPolarHBondContact O-CA 3.48Å; D6-G300 PolarHBondContact O-N 2.93Å; K298-G300 WeakPolarHBondContact CE-O 3.22Å
301	R	77.5	Confident	88.4	Confident	151 Å²	151	31.1 Å²	31.1	57%	0.57	16%	0.158	S	C	*	.			trans	-89.8	152.2	-178.6	-54.9	-167	-168.7	177.6	3.4	111.6	N284 E303	N284-R301 PolarHBondContact ND2-O 3.49Å; R301-E303 HydrophobicContact CB-CB 4.47Å; R301-E303 WeakPolarHBondContact CD-OE2 3.14Å; R301-E303 IonicContact CZ-OE2 3.74Å; R301-E303 IonicContact NE-OE2 3.95Å; R301-E303 IonicContact NH1-OE2 2.75Å; R301-E303 PolarHBondContact NH1-OE2 3.04Å
302	E	75.8	Confident	87.9	Confident	35 Å²	35	30.5 Å²	30.5	16%	0.164	16%	0.155	C	C	.	.			trans	-105.6	14.7	173.4	-71.2	176	129.7	0	0	112.2	S283 N284 K298 Y562 K578	S283-E302 WeakPolarHBondContact CA-OE1 3.29Å; S283-E302 PolarHBondContact OG-OE1 3.15Å; N284-E302 HydrophobicContact CB-CG 4.09Å; N284-E302 PolarHBondContact N-OE1 2.87Å; K298-E302 WeakPolarHBondContact CE-OE2 3.33Å; K298-E302 IonicContact NZ-OE2 2.66Å; K298-E302 PolarHBondContact NZ-OE2 2.99Å; E302-Y562 PolarHBondContact O-OH 2.88Å; E302-K578 HydrophobicContact CB-CD 4.07Å; E302-K578 HydrophobicContact CG-CD 4.37Å
303	E	82.2	Confident	87.6	Confident	62 Å²	62	30.3 Å²	30.3	29%	0.29	15%	0.153	S	C	.	.			trans	-64.9	122.8	165.6	-76.1	147.9	-153.4	0	0	109.2	R301 H467 Y562	R301-E303 HydrophobicContact CB-CB 4.47Å; R301-E303 WeakPolarHBondContact CD-OE2 3.14Å; R301-E303 IonicContact CZ-OE2 3.74Å; R301-E303 IonicContact NE-OE2 3.95Å; R301-E303 IonicContact NH1-OE2 2.75Å; R301-E303 PolarHBondContact NH1-OE2 3.04Å; E303-H467 IonicContact OE1-NE2 3.51Å; E303-Y562 HydrophobicContact CB-CE1 4.25Å; E303-Y562 HydrophobicContact CG-CD1 4.46Å; E303-Y562 HydrophobicContact CG-CE1 3.68Å
304	P	85.2	Confident	87.5	Confident	22 Å²	22	30.3 Å²	30.3	14%	0.143	15%	0.153	C	C	.	.			trans	-72.8	141.2	176.6	27.7	-32.3	0	0	0	111.7	M306 Y562	P304-M306 VanDerWaalsContact C-N 3.26Å; P304-M306 HydrophobicContact CB-CE 3.89Å; P304-M306 HydrophobicContact CB-CG 3.98Å; P304-M306 HydrophobicContact CB-SD 4.32Å; P304-M306 HydrophobicContact CG-CE 3.99Å; P304-M306 HydrophobicContact CG-CG 3.85Å; P304-M306 HydrophobicContact CG-SD 3.91Å; P304-M306 PolarHBondContact O-N 2.9Å; P304-Y562 VanDerWaalsContact CD-CD2 3.44Å; P304-Y562 HydrophobicContact CG-CD2 3.81Å; P304-Y562 HydrophobicContact CG-CE2 4.34Å; P304-Y562 HydrophobicContact CG-CG 3.98Å
305	A	87.3	Confident	87.3	Confident	15 Å²	15	30.5 Å²	30.5	12%	0.124	15%	0.154	C	C	.	.	S	Bend	trans	-77.9	73.9	175	0	0	0	0	0	110.8	W316 A317 I358	A305-W316 CarbonylContact O-C 3.47Å; A305-W316 VanDerWaalsContact O-CA 3.24Å; A305-W316 WeakPolarHBondContact O-CA 3.25Å; A305-A317 HydrophobicContact CB-CB 4.32Å; A305-A317 PolarHBondContact O-N 3.47Å; A305-I358 HydrophobicContact CB-CD1 4.43Å; A305-I358 HydrophobicContact CB-CG1 4.38Å
306	M	90.3	Very high	87.2	Confident	20 Å²	20	30.9 Å²	30.9	10%	0.099	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.2	-179	58.6	168.2	59.7	0	0	112.1	P304 I315 W316 L564 D577 L580	P304-M306 VanDerWaalsContact C-N 3.26Å; P304-M306 HydrophobicContact CB-CE 3.89Å; P304-M306 HydrophobicContact CB-CG 3.98Å; P304-M306 HydrophobicContact CB-SD 4.32Å; P304-M306 HydrophobicContact CG-CE 3.99Å; P304-M306 HydrophobicContact CG-CG 3.85Å; P304-M306 HydrophobicContact CG-SD 3.91Å; P304-M306 PolarHBondContact O-N 2.9Å; M306-I315 WeakPolarHBondContact CA-O 3.35Å; M306-W316 HydrophobicContact CB-CB 3.77Å; M306-L564 HydrophobicContact CB-CD2 4.15Å; M306-L564 HydrophobicContact CG-CD2 3.82Å; M306-L564 HydrophobicContact SD-CD1 4.06Å; M306-L564 HydrophobicContact SD-CD2 3.63Å; M306-L564 HydrophobicContact SD-CG 3.92Å; M306-D577 VanDerWaalsContact CE-O 3.25Å; M306-D577 WeakPolarHBondContact CE-O 3.41Å; M306-L580 HydrophobicContact CE-CD2 3.71Å
307	S	91	Very high	86.8	Confident	21 Å²	21	31.5 Å²	31.5	15%	0.147	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	149.5	175	178.6	0	0	0	0	111	I314 I315 I358 H360	S307-I314 WeakPolarHBondContact O-CA 3.1Å; S307-I315 PolarHBondContact N-O 3.3Å; S307-I315 PolarHBondContact O-N 3.11Å; S307-I358 WeakPolarHBondContact CB-O 3.4Å; S307-H360 PolarHBondContact O-CE1 3.31Å; S307-H360 VanDerWaalsContact O-CE1 3.24Å; S307-H360 PolarHBondContact O-ND1 3.13Å; S307-H360 PolarHBondContact OG-N 3.48Å; S307-H360 PolarHBondContact OG-ND1 2.99Å
308	M	90.8	Very high	86.3	Confident	21 Å²	21	36.5 Å²	36.5	10%	0.103	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.9	176.2	-173.8	164	72.2	0	0	111.8	K313 I314 L327 L564 G565 I567 Y574	M308-K313 CarbonylContact C-O 3.59Å; M308-K313 WeakPolarHBondContact CA-O 3.43Å; M308-I314 HydrophobicContact CB-CG1 4.07Å; M308-I314 HydrophobicContact CG-CG1 3.78Å; M308-I314 HydrophobicContact SD-CD1 4.03Å; M308-I314 HydrophobicContact SD-CG1 3.7Å; M308-L327 HydrophobicContact SD-CD1 3.57Å; M308-L327 VanDerWaalsContact SD-CD1 3.57Å; M308-L564 HydrophobicContact CB-CB 4.17Å; M308-L564 HydrophobicContact CB-CD2 4.38Å; M308-L564 HydrophobicContact CE-CB 4.35Å; M308-G565 VanDerWaalsContact CE-CA 3.45Å; M308-I567 HydrophobicContact CE-CD1 4.26Å; M308-I567 HydrophobicContact CE-CG1 4.16Å; M308-I567 HydrophobicContact SD-CD1 4.29Å; M308-Y574 HydrophobicContact CE-CD2 4.15Å; M308-Y574 HydrophobicContact CE-CG 4.42Å
309	D	89	Confident	85.7	Confident	7 Å²	7	35.4 Å²	35.4	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	145.6	164.9	166.9	26.9	0	0	0	109.9	N311 G312 K313 G364	D309-N311 PolarHBondContact O-N 3.1Å; D309-N311 PolarHBondContact OD1-N 3.02Å; D309-N311 PolarHBondContact OD1-ND2 2.98Å; D309-N311 VanDerWaalsContact OD2-CB 3.3Å; D309-N311 WeakPolarHBondContact OD2-CB 3.41Å; D309-N311 PolarHBondContact OD2-ND2 3.23Å; D309-G312 PolarHBondContact O-N 3.1Å; D309-K313 HydrophobicContact CB-CB 4.32Å; D309-K313 PolarHBondContact N-O 3.45Å; D309-G364 WeakPolarHBondContact OD1-CA 3.4Å
310	T	83.3	Confident	85.3	Confident	100 Å²	100	37.1 Å²	37.1	61%	0.613	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-37.7	-23.8	166.4	63	0	0	0	0	115.9
311	N	83.9	Confident	85.5	Confident	65 Å²	65	39.6 Å²	39.6	35%	0.348	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	5.3	176	-67.7	-82.2	0	0	0	115.6	D309 K328	D309-N311 PolarHBondContact O-N 3.1Å; D309-N311 PolarHBondContact OD1-N 3.02Å; D309-N311 PolarHBondContact OD1-ND2 2.98Å; D309-N311 VanDerWaalsContact OD2-CB 3.3Å; D309-N311 WeakPolarHBondContact OD2-CB 3.41Å; D309-N311 PolarHBondContact OD2-ND2 3.23Å; N311-K328 WeakPolarHBondContact O-CE 3.47Å; N311-K328 PolarHBondContact O-NZ 2.77Å
312	G	84.5	Confident	86	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	26.3	-176.1	0	0	0	0	0	114.3	D309 L327	D309-G312 PolarHBondContact O-N 3.1Å; G312-L327 WeakPolarHBondContact O-CB 3.47Å; G312-L327 WeakPolarHBondContact O-CG 3.24Å; G312-L327 PolarHBondContact O-N 2.66Å
313	K	88.9	Confident	86.6	Confident	64 Å²	64	32.2 Å²	32.2	28%	0.278	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.4	168.4	-65.1	170.8	-174.4	159.8	0	108.2	M308 D309	M308-K313 CarbonylContact C-O 3.59Å; M308-K313 WeakPolarHBondContact CA-O 3.43Å; D309-K313 HydrophobicContact CB-CB 4.32Å; D309-K313 PolarHBondContact N-O 3.45Å
314	I	91.1	Very high	86.9	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.4	-179.9	-49.9	169.5	0	0	0	107.1	S307 M308 W316 Q324 A325 L327 L564 I582	S307-I314 WeakPolarHBondContact O-CA 3.1Å; M308-I314 HydrophobicContact CB-CG1 4.07Å; M308-I314 HydrophobicContact CG-CG1 3.78Å; M308-I314 HydrophobicContact SD-CD1 4.03Å; M308-I314 HydrophobicContact SD-CG1 3.7Å; I314-W316 HydrophobicContact CB-CE3 4.32Å; I314-W316 HydrophobicContact CB-CZ3 4.24Å; I314-W316 HydrophobicContact CG2-CE3 3.71Å; I314-W316 HydrophobicContact CG2-CZ3 4.01Å; I314-Q324 WeakPolarHBondContact O-CA 3.5Å; I314-A325 PolarHBondContact N-O 3.44Å; I314-A325 PolarHBondContact O-N 3.18Å; I314-L327 HydrophobicContact CD1-CD1 4.11Å; I314-L327 HydrophobicContact CD1-CD2 3.86Å; I314-L327 HydrophobicContact CD1-CG 3.93Å; I314-L327 HydrophobicContact CG1-CG 4.47Å; I314-L564 HydrophobicContact CD1-CD1 4.06Å; I314-L564 HydrophobicContact CG2-CD1 4.11Å; I314-L564 HydrophobicContact CG2-CD2 4.2Å; I314-I582 HydrophobicContact CD1-CD1 3.53Å; I314-I582 HydrophobicContact CD1-CG1 4.42Å; I314-I582 HydrophobicContact CD1-CG2 4.43Å; I314-I582 HydrophobicContact CG2-CD1 4.39Å
315	I	91.7	Very high	87	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.015	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.8	175.3	-65.2	-177.2	0	0	0	107.4	M306 S307 I322 Q323 Q324 V367 A380	M306-I315 WeakPolarHBondContact CA-O 3.35Å; S307-I315 PolarHBondContact N-O 3.3Å; S307-I315 PolarHBondContact O-N 3.11Å; I315-I322 HydrophobicContact CG2-CG2 3.53Å; I315-Q323 WeakPolarHBondContact CA-O 3.48Å; I315-Q324 HydrophobicContact CG1-CB 4.2Å; I315-Q324 HydrophobicContact CG1-CG 4.02Å; I315-V367 HydrophobicContact CD1-CG2 4.1Å; I315-A380 HydrophobicContact CD1-CB 4.35Å
316	W	91.3	Very high	86.9	Confident	9 Å²	9	31.8 Å²	31.8	3%	0.034	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	163.4	178.2	62	70.7	0	0	0	111	A305 M306 I314 Q323 A325 V345 L580 I582	A305-W316 CarbonylContact O-C 3.47Å; A305-W316 VanDerWaalsContact O-CA 3.24Å; A305-W316 WeakPolarHBondContact O-CA 3.25Å; M306-W316 HydrophobicContact CB-CB 3.77Å; I314-W316 HydrophobicContact CB-CE3 4.32Å; I314-W316 HydrophobicContact CB-CZ3 4.24Å; I314-W316 HydrophobicContact CG2-CE3 3.71Å; I314-W316 HydrophobicContact CG2-CZ3 4.01Å; W316-Q323 PolarHBondContact N-O 3.07Å; W316-Q323 VanDerWaalsContact N-O 3.1Å; W316-Q323 PolarHBondContact O-N 3.26Å; W316-A325 HydrophobicContact CH2-CB 3.45Å; W316-A325 VanDerWaalsContact CH2-CB 3.45Å; W316-A325 HydrophobicContact CZ2-CB 4.43Å; W316-A325 HydrophobicContact CZ3-CB 3.54Å; W316-V345 HydrophobicContact CH2-CG2 4.18Å; W316-V345 HydrophobicContact CZ2-CG1 3.94Å; W316-V345 HydrophobicContact CZ2-CG2 3.77Å; W316-L580 HydrophobicContact CB-CD2 4.1Å; W316-L580 HydrophobicContact CG-CD1 4.33Å; W316-L580 HydrophobicContact CG-CD2 3.99Å; W316-I582 HydrophobicContact CE3-CD1 4.24Å; W316-I582 HydrophobicContact CH2-CD1 4.12Å; W316-I582 HydrophobicContact CZ3-CD1 3.44Å; W316-I582 VanDerWaalsContact CZ3-CD1 3.44Å
317	A	87.1	Confident	86.4	Confident	12 Å²	12	31.3 Å²	31.3	10%	0.099	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	143.9	168.7	0	0	0	0	0	112	A305 E321 I322 P355 I358	A305-A317 HydrophobicContact CB-CB 4.32Å; A305-A317 PolarHBondContact O-N 3.47Å; A317-E321 WeakPolarHBondContact CA-O 3.41Å; A317-I322 HydrophobicContact CB-CG1 4.37Å; A317-P355 HydrophobicContact CB-CB 3.69Å; A317-P355 HydrophobicContact CB-CG 3.2Å; A317-I358 HydrophobicContact CB-CD1 3.62Å
318	K	81.4	Confident	85.5	Confident	105 Å²	105	36.1 Å²	36.1	46%	0.457	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	113.2	165.5	-173.2	176.5	-178.5	179.7	0	107	S320 E321 L580	K318-S320 PolarHBondContact O-N 2.99Å; K318-E321 PolarHBondContact N-O 3.41Å; K318-E321 WeakPolarHBondContact O-CB 3.49Å; K318-E321 PolarHBondContact O-N 3.34Å; K318-L580 HydrophobicContact CB-CD1 4.28Å
319	H	79.9	Confident	84.1	Confident	19 Å²	19	38.3 Å²	38.3	9%	0.088	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-110.9	-167.8	-56.2	94	0	0	0	112	G196 P239 E240 P355	G196-H319 WeakPolarHBondContact CA-CE1 3.32Å; P239-H319 PolarHBondContact O-NE2 3.39Å; E240-H319 PolarHBondContact O-CD2 3.37Å; E240-H319 PolarHBondContact O-NE2 3.4Å; H319-P355 WeakPolarHBondContact O-CD 3.36Å; H319-P355 WeakPolarHBondContact O-CG 3.44Å
320	S	78.9	Confident	82.7	Confident	36 Å²	36	40.3 Å²	40.3	25%	0.252	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	1.9	176.2	-61.5	0	0	0	0	113.3	K318 S350 C351	K318-S320 PolarHBondContact O-N 2.99Å; S320-S350 CarbonylContact O-C 3.38Å; S320-S350 VanDerWaalsContact O-CA 3.32Å; S320-S350 WeakPolarHBondContact O-CA 3.44Å; S320-C351 PolarHBondContact O-N 3.09Å
321	E	83.6	Confident	81.5	Confident	65 Å²	65	38.5 Å²	38.5	30%	0.304	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.5	-177.6	-69.4	149.2	-145.8	0	0	109.6	G197 A317 K318	G197-E321 WeakPolarHBondContact CA-OE1 3.39Å; A317-E321 WeakPolarHBondContact CA-O 3.41Å; K318-E321 PolarHBondContact N-O 3.41Å; K318-E321 WeakPolarHBondContact O-CB 3.49Å; K318-E321 PolarHBondContact O-N 3.34Å
322	I	88	Confident	80.3	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.9	174	-68.5	-169.3	0	0	0	109.6	I315 A317 M348 G349 C351 I358 V369 L383	I315-I322 HydrophobicContact CG2-CG2 3.53Å; A317-I322 HydrophobicContact CB-CG1 4.37Å; I322-M348 HydrophobicContact CG2-CB 4.41Å; I322-M348 PolarHBondContact O-N 3.09Å; I322-G349 PolarHBondContact N-O 3.1Å; I322-C351 WeakPolarHBondContact CD1-SG 3.45Å; I322-I358 HydrophobicContact CD1-CD1 4.09Å; I322-I358 HydrophobicContact CG1-CD1 4.4Å; I322-V369 HydrophobicContact CD1-CG2 3.6Å; I322-L383 HydrophobicContact CB-CD2 4.22Å; I322-L383 HydrophobicContact CD1-CD1 4.3Å; I322-L383 HydrophobicContact CG2-CD1 4.16Å; I322-L383 HydrophobicContact CG2-CD2 4.48Å
323	Q	89.1	Confident	79.1	Confident	28 Å²	28	48.3 Å²	48.3	13%	0.131	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	153.4	179.4	-51.5	-172.3	-60.1	0	0	110.1	I315 W316 V345 K346 D347	I315-Q323 WeakPolarHBondContact CA-O 3.48Å; W316-Q323 PolarHBondContact N-O 3.07Å; W316-Q323 VanDerWaalsContact N-O 3.1Å; W316-Q323 PolarHBondContact O-N 3.26Å; Q323-V345 HydrophobicContact CB-CG1 3.74Å; Q323-V345 HydrophobicContact CG-CG1 4.22Å; Q323-K346 WeakPolarHBondContact CA-O 3.4Å; Q323-D347 WeakPolarHBondContact CG-OD1 3.44Å; Q323-D347 PolarHBondContact NE2-OD1 2.91Å
324	Q	89.8	Confident	77.9	Confident	30 Å²	30	54.6 Å²	54.6	14%	0.14	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.1	175.8	-178.4	-175.1	-0.1	0	0	110	I314 I315 K346 M348	I314-Q324 WeakPolarHBondContact O-CA 3.5Å; I315-Q324 HydrophobicContact CG1-CB 4.2Å; I315-Q324 HydrophobicContact CG1-CG 4.02Å; Q324-K346 PolarHBondContact N-O 3.13Å; Q324-K346 PolarHBondContact O-N 3.06Å; Q324-M348 HydrophobicContact CB-CG 3.74Å; Q324-M348 HydrophobicContact CB-SD 4.41Å
325	A	87.3	Confident	77	Confident	2 Å²	2	56.1 Å²	56.1	2%	0.017	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	162.4	161.1	0	0	0	0	0	110.8	I314 W316 L343	I314-A325 PolarHBondContact N-O 3.44Å; I314-A325 PolarHBondContact O-N 3.18Å; W316-A325 HydrophobicContact CH2-CB 3.45Å; W316-A325 VanDerWaalsContact CH2-CB 3.45Å; W316-A325 HydrophobicContact CZ2-CB 4.43Å; W316-A325 HydrophobicContact CZ3-CB 3.54Å; A325-L343 HydrophobicContact CB-CB 4.19Å; A325-L343 HydrophobicContact CB-CD1 4.31Å
326	N	85.3	Confident	76.3	Confident	58 Å²	58	63 Å²	63	31%	0.31	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	108.3	-178.5	178.2	36.9	0	0	0	109.9	K328 A329	N326-K328 PolarHBondContact O-N 3.13Å; N326-A329 WeakPolarHBondContact O-CB 3.3Å; N326-A329 PolarHBondContact O-N 2.82Å; N326-A329 VanDerWaalsContact O-N 3.11Å
327	L	78.9	Confident	75.8	Confident	11 Å²	11	65.8 Å²	65.8	6%	0.058	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-58.6	-30.8	-178.6	-62.9	174.5	0	0	0	112	M308 G312 I314 A329 M330 L341 L343 I567 Y574	M308-L327 HydrophobicContact SD-CD1 3.57Å; M308-L327 VanDerWaalsContact SD-CD1 3.57Å; G312-L327 WeakPolarHBondContact O-CB 3.47Å; G312-L327 WeakPolarHBondContact O-CG 3.24Å; G312-L327 PolarHBondContact O-N 2.66Å; I314-L327 HydrophobicContact CD1-CD1 4.11Å; I314-L327 HydrophobicContact CD1-CD2 3.86Å; I314-L327 HydrophobicContact CD1-CG 3.93Å; I314-L327 HydrophobicContact CG1-CG 4.47Å; L327-A329 PolarHBondContact O-N 3.43Å; L327-M330 WeakPolarHBondContact O-CB 3.49Å; L327-M330 VanDerWaalsContact O-CG 3.22Å; L327-M330 WeakPolarHBondContact O-CG 3.3Å; L327-M330 PolarHBondContact O-N 3.26Å; L327-M330 VanDerWaalsContact O-N 3.14Å; L327-L341 HydrophobicContact CD2-CD1 3.95Å; L327-L343 HydrophobicContact CD2-CD1 3.94Å; L327-L343 HydrophobicContact CD2-CD2 3.77Å; L327-I567 HydrophobicContact CD1-CD1 3.65Å; L327-Y574 HydrophobicContact CD1-CD1 3.72Å; L327-Y574 HydrophobicContact CD1-CD2 3.95Å; L327-Y574 HydrophobicContact CD1-CE1 3.68Å; L327-Y574 HydrophobicContact CD1-CE2 3.92Å; L327-Y574 HydrophobicContact CD1-CG 3.86Å; L327-Y574 HydrophobicContact CD2-CD1 3.96Å; L327-Y574 HydrophobicContact CD2-CE1 3.83Å; L327-Y574 HydrophobicContact CG-CE1 4.32Å
328	K	71.3	Confident	75.5	Confident	122 Å²	122	67 Å²	67	53%	0.53	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-66	-4.2	178.2	-68.9	175.8	172.4	152	0	115.1	N311 N326 M330	N311-K328 WeakPolarHBondContact O-CE 3.47Å; N311-K328 PolarHBondContact O-NZ 2.77Å; N326-K328 PolarHBondContact O-N 3.13Å; K328-M330 VanDerWaalsContact C-N 3.35Å
329	A	62.8	Low	75.6	Confident	67 Å²	67	67.4 Å²	67.4	55%	0.554	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-82	-11.8	173.3	0	0	0	0	0	113.5	N326 L327	N326-A329 WeakPolarHBondContact O-CB 3.3Å; N326-A329 PolarHBondContact O-N 2.82Å; N326-A329 VanDerWaalsContact O-N 3.11Å; L327-A329 PolarHBondContact O-N 3.43Å
330	M	59.8	Low	75.8	Confident	48 Å²	48	72 Å²	72	24%	0.236	39%	0.387	C	S	.	.	S	Bend	trans	-80.4	-16.8	-168.5	-60	-63.4	-79.5	0	0	115.1	L327 K328 L341 P342 L343	L327-M330 WeakPolarHBondContact O-CB 3.49Å; L327-M330 VanDerWaalsContact O-CG 3.22Å; L327-M330 WeakPolarHBondContact O-CG 3.3Å; L327-M330 PolarHBondContact O-N 3.26Å; L327-M330 VanDerWaalsContact O-N 3.14Å; K328-M330 VanDerWaalsContact C-N 3.35Å; M330-L341 HydrophobicContact CE-CB 4.2Å; M330-L341 HydrophobicContact CE-CD2 4.48Å; M330-P342 HydrophobicContact CE-CG 3.96Å; M330-L343 HydrophobicContact CE-CD2 4.39Å; M330-L343 HydrophobicContact CG-CD2 3.84Å; M330-L343 HydrophobicContact SD-CD2 3.64Å; M330-L343 HydrophobicContact SD-CG 4.48Å
331	G	57.4	Low	76	Confident	62 Å²	62	71.1 Å²	71.1	64%	0.639	38%	0.379	S	S	*	.			trans	67.8	-170.4	-175.4	0	0	0	0	0	113.9	A333	G331-A333 PolarHBondContact O-N 2.96Å; G331-A333 VanDerWaalsContact O-N 3.09Å
332	E	57.9	Low	75.8	Confident	208 Å²	208	73.3 Å²	73.3	97%	0.972	40%	0.399	S	S	*	.	S	Bend	trans	-83.9	47.2	177.3	-63.7	178.5	165.3	0	0	111.5
333	A	60.3	Low	75.5	Confident	63 Å²	63	74.3 Å²	74.3	52%	0.521	40%	0.404	S	S	.	.			trans	-76	138.4	172.8	0	0	0	0	0	110.5	G331 I335	G331-A333 PolarHBondContact O-N 2.96Å; G331-A333 VanDerWaalsContact O-N 3.09Å; A333-I335 VanDerWaalsContact C-N 3.29Å; A333-I335 PolarHBondContact O-N 3.34Å
334	E	63.4	Low	75.2	Confident	196 Å²	196	76.7 Å²	76.7	92%	0.916	43%	0.429	S	S	*	.			trans	-70.1	84.9	173.1	-70.9	-169.6	156.1	0	0	110.9	K336	E334-K336 PolarHBondContact O-N 2.97Å
335	I	71.9	Confident	75	Confident	33 Å²	33	78.7 Å²	78.7	17%	0.169	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-66	121	173.6	-64.6	164.3	0	0	0	108.9	A333 L341 R572 S584	A333-I335 VanDerWaalsContact C-N 3.29Å; A333-I335 PolarHBondContact O-N 3.34Å; I335-L341 HydrophobicContact CB-CD2 4.48Å; I335-L341 HydrophobicContact CD1-CD2 3.92Å; I335-L341 HydrophobicContact CG1-CD2 4.02Å; I335-L341 HydrophobicContact CG2-CD2 3.6Å; I335-R572 PolarHBondContact O-NH1 2.89Å; I335-R572 PolarHBondContact O-NH2 2.95Å; I335-S584 VanDerWaalsContact CG2-OG 3.29Å; I335-S584 WeakPolarHBondContact CG2-OG 3.48Å
336	K	76.9	Confident	75	Confident	147 Å²	147	84.5 Å²	84.5	64%	0.639	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-76	142.7	169.3	-66.6	176	-178.2	169.5	0	110.6	E334 E339	E334-K336 PolarHBondContact O-N 2.97Å; K336-E339 HydrophobicContact CB-CB 4.2Å; K336-E339 WeakPolarHBondContact O-CB 3.32Å; K336-E339 PolarHBondContact O-N 2.93Å
337	D	81.9	Confident	75	Confident	67 Å²	67	86.7 Å²	86.7	36%	0.358	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	135.8	177	-74.9	2	0	0	0	110.5	E339 R572 S584 F585 S586	D337-E339 VanDerWaalsContact C-N 3.29Å; D337-E339 PolarHBondContact O-N 3.02Å; D337-R572 IonicContact OD1-CZ 3.3Å; D337-R572 IonicContact OD1-NH1 3.86Å; D337-R572 PolarHBondContact OD1-NH1 2.91Å; D337-R572 IonicContact OD1-NH2 3.88Å; D337-S584 WeakPolarHBondContact CA-O 3.43Å; D337-F585 HydrophobicContact CB-CD1 3.92Å; D337-F585 HydrophobicContact CB-CE1 4.46Å; D337-S586 PolarHBondContact OD1-N 3.11Å; D337-S586 VanDerWaalsContact OD2-CB 3.29Å; D337-S586 WeakPolarHBondContact OD2-CB 3.48Å; D337-S586 PolarHBondContact OD2-N 3.21Å; D337-S586 PolarHBondContact OD2-OG 2.92Å
338	G	79.1	Confident	75.1	Confident	39 Å²	39	87.7 Å²	87.7	40%	0.402	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	-14	-173.5	0	0	0	0	0	115.5	V583 S584	G338-V583 VanDerWaalsContact C-CG1 3.49Å; G338-V583 VanDerWaalsContact CA-CG1 3.46Å; G338-S584 PolarHBondContact N-O 2.86Å
339	E	83.7	Confident	75.7	Confident	113 Å²	113	83.5 Å²	83.5	53%	0.528	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-78.1	148.5	-178.7	-165.2	165.5	-178.8	0	0	112.8	K336 D337	K336-E339 HydrophobicContact CB-CB 4.2Å; K336-E339 WeakPolarHBondContact O-CB 3.32Å; K336-E339 PolarHBondContact O-N 2.93Å; D337-E339 VanDerWaalsContact C-N 3.29Å; D337-E339 PolarHBondContact O-N 3.02Å
340	R	83.7	Confident	76.5	Confident	115 Å²	115	84.6 Å²	84.6	43%	0.434	48%	0.479	S	S	.	.	B	Isolated β-bridge	trans	-74.8	127.3	177.6	-66.5	-175.5	-179.9	-156.5	-1.8	110.4	P342 E579 N581 I582 V583	R340-P342 VanDerWaalsContact O-CD 3.3Å; R340-P342 WeakPolarHBondContact O-CD 3.21Å; R340-E579 IonicContact CZ-OE2 3.39Å; R340-E579 IonicContact NH1-OE2 3.52Å; R340-E579 PolarHBondContact NH1-OE2 2.88Å; R340-E579 IonicContact NH2-OE2 2.76Å; R340-N581 HydrophobicContact CG-CB 4.32Å; R340-N581 VanDerWaalsContact CZ-CG 3.45Å; R340-N581 VanDerWaalsContact CZ-ND2 3.3Å; R340-N581 PolarHBondContact NH1-ND2 3.27Å; R340-N581 PolarHBondContact NH1-OD1 2.98Å; R340-I582 WeakPolarHBondContact CA-O 3.16Å; R340-V583 HydrophobicContact CG-CG2 4.48Å
341	L	83.5	Confident	77.5	Confident	18 Å²	18	82.8 Å²	82.8	9%	0.094	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-78.2	119.2	178.5	-60	-175.1	0	0	0	111.8	L327 M330 I335 L343 Y574 I582	L327-L341 HydrophobicContact CD2-CD1 3.95Å; M330-L341 HydrophobicContact CE-CB 4.2Å; M330-L341 HydrophobicContact CE-CD2 4.48Å; I335-L341 HydrophobicContact CB-CD2 4.48Å; I335-L341 HydrophobicContact CD1-CD2 3.92Å; I335-L341 HydrophobicContact CG1-CD2 4.02Å; I335-L341 HydrophobicContact CG2-CD2 3.6Å; L341-L343 VanDerWaalsContact C-N 3.28Å; L341-L343 HydrophobicContact CB-CD1 4.18Å; L341-L343 HydrophobicContact CB-CD2 4.44Å; L341-L343 HydrophobicContact CB-CG 3.91Å; L341-L343 PolarHBondContact O-N 2.87Å; L341-Y574 HydrophobicContact CD1-CD1 3.94Å; L341-Y574 HydrophobicContact CD1-CE1 3.73Å; L341-I582 HydrophobicContact CD1-CG2 3.93Å; L341-I582 PolarHBondContact N-O 2.99Å
342	P	80.4	Confident	78.5	Confident	110 Å²	110	88.2 Å²	88.2	71%	0.714	48%	0.48	S	S	*	.			trans	-74.5	77.5	174	30	-35.3	0	0	0	111.5	M330 R340	M330-P342 HydrophobicContact CE-CG 3.96Å; R340-P342 VanDerWaalsContact O-CD 3.3Å; R340-P342 WeakPolarHBondContact O-CD 3.21Å
343	L	81.6	Confident	79.7	Confident	24 Å²	24	78.9 Å²	78.9	13%	0.126	44%	0.436	C	S	.	.			trans	-83.3	133.5	-176	-68.1	167.1	0	0	0	112.7	A325 L327 M330 L341 V345 I582	A325-L343 HydrophobicContact CB-CB 4.19Å; A325-L343 HydrophobicContact CB-CD1 4.31Å; L327-L343 HydrophobicContact CD2-CD1 3.94Å; L327-L343 HydrophobicContact CD2-CD2 3.77Å; M330-L343 HydrophobicContact CE-CD2 4.39Å; M330-L343 HydrophobicContact CG-CD2 3.84Å; M330-L343 HydrophobicContact SD-CD2 3.64Å; M330-L343 HydrophobicContact SD-CG 4.48Å; L341-L343 VanDerWaalsContact C-N 3.28Å; L341-L343 HydrophobicContact CB-CD1 4.18Å; L341-L343 HydrophobicContact CB-CD2 4.44Å; L341-L343 HydrophobicContact CB-CG 3.91Å; L341-L343 PolarHBondContact O-N 2.87Å; L343-V345 PolarHBondContact O-N 2.99Å; L343-V345 VanDerWaalsContact O-N 3.12Å; L343-I582 HydrophobicContact CD1-CB 4Å; L343-I582 HydrophobicContact CD1-CD1 3.53Å; L343-I582 HydrophobicContact CD1-CG1 4.39Å; L343-I582 HydrophobicContact CD1-CG2 4.25Å
344	A	83	Confident	80.8	Confident	78 Å²	78	77.6 Å²	77.6	65%	0.645	42%	0.418	S	S	*	.			trans	-68.5	107	170.1	0	0	0	0	0	110.5
345	V	84.8	Confident	81.8	Confident	72 Å²	72	68.4 Å²	68.4	44%	0.436	38%	0.376	S	S	.	.			trans	-83	138.4	177.4	-171.7	0	0	0	0	110.1	W316 Q323 L343	W316-V345 HydrophobicContact CH2-CG2 4.18Å; W316-V345 HydrophobicContact CZ2-CG1 3.94Å; W316-V345 HydrophobicContact CZ2-CG2 3.77Å; Q323-V345 HydrophobicContact CB-CG1 3.74Å; Q323-V345 HydrophobicContact CG-CG1 4.22Å; L343-V345 PolarHBondContact O-N 2.99Å; L343-V345 VanDerWaalsContact O-N 3.12Å
346	K	86.7	Confident	82.4	Confident	123 Å²	123	71 Å²	71	54%	0.535	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	125.7	175.4	-177.2	-162.1	162.5	-164.9	0	110.6	Q323 Q324	Q323-K346 WeakPolarHBondContact CA-O 3.4Å; Q324-K346 PolarHBondContact N-O 3.13Å; Q324-K346 PolarHBondContact O-N 3.06Å
347	D	85.4	Confident	82.9	Confident	104 Å²	104	66.7 Å²	66.7	56%	0.556	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	137	174.3	-50.2	-59.2	0	0	0	111.6	Q323	Q323-D347 WeakPolarHBondContact CG-OD1 3.44Å; Q323-D347 PolarHBondContact NE2-OD1 2.91Å
348	M	81.6	Confident	83.4	Confident	33 Å²	33	63.9 Å²	63.9	16%	0.163	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-20.4	-178.2	-71	-72.5	-80.8	0	0	113	I322 Q324 A380 L383	I322-M348 HydrophobicContact CG2-CB 4.41Å; I322-M348 PolarHBondContact O-N 3.09Å; Q324-M348 HydrophobicContact CB-CG 3.74Å; Q324-M348 HydrophobicContact CB-SD 4.41Å; M348-A380 WeakPolarHBondContact CE-O 3.47Å; M348-L383 HydrophobicContact CB-CD2 4.35Å
349	G	83	Confident	83.9	Confident	34 Å²	34	65.7 Å²	65.7	35%	0.351	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	140.1	173.6	176.5	0	0	0	0	0	112.5	I322	I322-G349 PolarHBondContact N-O 3.1Å
350	S	80.8	Confident	84.3	Confident	90 Å²	90	61.2 Å²	61.2	63%	0.629	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	144.5	174.1	55	0	0	0	0	112.2	S320	S320-S350 CarbonylContact O-C 3.38Å; S320-S350 VanDerWaalsContact O-CA 3.32Å; S320-S350 WeakPolarHBondContact O-CA 3.44Å
351	C	79.8	Confident	84.7	Confident	9 Å²	9	55.9 Å²	55.9	6%	0.061	32%	0.315	C	S	.	.			trans	-88.5	153.9	166	-84.1	0	0	0	0	112.2	S320 I322 Y378	S320-C351 PolarHBondContact O-N 3.09Å; I322-C351 WeakPolarHBondContact CD1-SG 3.45Å; C351-Y378 VanDerWaalsContact SG-CE2 3.58Å; C351-Y378 PolarHBondContact SG-OH 2.79Å; C351-Y378 VanDerWaalsContact SG-OH 3.32Å
352	E	78.4	Confident	84.8	Confident	176 Å²	176	57.7 Å²	57.7	82%	0.822	33%	0.328	S	S	*	.	S	Bend	trans	-78.9	-32.8	177.8	-64.2	172.6	-176.1	0	0	112.2
353	I	83.5	Confident	85	Confident	13 Å²	13	56.4 Å²	56.4	7%	0.067	32%	0.315	C	S	.	.	S	Bend	trans	-98.2	160	175.9	63	178.3	0	0	0	111.1	P355 V369 E374 I376	I353-P355 VanDerWaalsContact O-CD 3.32Å; I353-P355 WeakPolarHBondContact O-CD 3.33Å; I353-V369 HydrophobicContact CD1-CG1 4.39Å; I353-V369 HydrophobicContact CG1-CG1 4.48Å; I353-E374 HydrophobicContact CG2-CB 4.39Å; I353-I376 HydrophobicContact CD1-CD1 4.11Å; I353-I376 HydrophobicContact CD1-CG1 4.1Å; I353-I376 HydrophobicContact CG1-CD1 4.15Å; I353-I376 HydrophobicContact CG2-CD1 4.46Å
354	Y	82.9	Confident	85.2	Confident	35 Å²	35	55.6 Å²	55.6	14%	0.137	31%	0.313	C	S	.	.			trans	-78.7	117	171.1	180	-92.7	0	0	0	111	E240 L241 P242 Q356 G371 D372	E240-Y354 PolarHBondContact O-OH 3.32Å; L241-Y354 HydrophobicContact CD2-CE1 4.42Å; P242-Y354 HydrophobicContact CB-CD2 3.74Å; P242-Y354 HydrophobicContact CB-CE2 4.22Å; P242-Y354 HydrophobicContact CB-CG 4.17Å; P242-Y354 HydrophobicContact CG-CD1 4.01Å; P242-Y354 HydrophobicContact CG-CD2 3.57Å; P242-Y354 HydrophobicContact CG-CE1 4.45Å; P242-Y354 HydrophobicContact CG-CE2 4.02Å; P242-Y354 HydrophobicContact CG-CG 3.56Å; Y354-Q356 HydrophobicContact CD1-CG 3.92Å; Y354-Q356 HydrophobicContact CE1-CG 4.27Å; Y354-Q356 PolarHBondContact O-N 3.49Å; Y354-Q356 VanDerWaalsContact O-N 3.14Å; Y354-G371 WeakPolarHBondContact O-CA 3.24Å; Y354-D372 PolarHBondContact N-OD2 2.94Å
355	P	84.8	Confident	85.5	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.019	31%	0.313	C	S	.	.			trans	-67.9	109.5	-178.8	27	-33.6	0	0	0	111.8	A317 H319 I353 I358 V369	A317-P355 HydrophobicContact CB-CB 3.69Å; A317-P355 HydrophobicContact CB-CG 3.2Å; H319-P355 WeakPolarHBondContact O-CD 3.36Å; H319-P355 WeakPolarHBondContact O-CG 3.44Å; I353-P355 VanDerWaalsContact O-CD 3.32Å; I353-P355 WeakPolarHBondContact O-CD 3.33Å; P355-I358 HydrophobicContact CB-CD1 4.27Å; P355-I358 HydrophobicContact CB-CG1 4.41Å; P355-V369 HydrophobicContact CB-CG1 3.65Å
356	Q	85.1	Confident	85.8	Confident	88 Å²	88	57.5 Å²	57.5	41%	0.411	30%	0.296	S	S	.	.	S	Bend	trans	-93.3	-35.2	173.3	-61.3	-179.6	18.4	0	0	111.5	Y354 C370 D372	Y354-Q356 HydrophobicContact CD1-CG 3.92Å; Y354-Q356 HydrophobicContact CE1-CG 4.27Å; Y354-Q356 PolarHBondContact O-N 3.49Å; Y354-Q356 VanDerWaalsContact O-N 3.14Å; Q356-C370 PolarHBondContact N-O 2.93Å; Q356-D372 PolarHBondContact NE2-OD1 3.48Å
357	T	87.7	Confident	86.1	Confident	57 Å²	57	51.7 Å²	51.7	35%	0.35	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.7	169.8	63.9	0	0	0	0	111.2	C370	T357-C370 PolarHBondContact N-O 2.99Å; T357-C370 PolarHBondContact O-N 3.2Å; T357-C370 WeakPolarHBondContact OG1-CB 3.34Å
358	I	91.2	Very high	86.4	Confident	7 Å²	7	46.8 Å²	46.8	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.9	174.3	-75.1	-178.9	0	0	0	107.3	A305 S307 A317 I322 P355 V367 V368 V369	A305-I358 HydrophobicContact CB-CD1 4.43Å; A305-I358 HydrophobicContact CB-CG1 4.38Å; S307-I358 WeakPolarHBondContact CB-O 3.4Å; A317-I358 HydrophobicContact CB-CD1 3.62Å; I322-I358 HydrophobicContact CD1-CD1 4.09Å; I322-I358 HydrophobicContact CG1-CD1 4.4Å; P355-I358 HydrophobicContact CB-CD1 4.27Å; P355-I358 HydrophobicContact CB-CG1 4.41Å; I358-V367 HydrophobicContact CG2-CG1 3.76Å; I358-V368 WeakPolarHBondContact CA-O 3.46Å; I358-V369 HydrophobicContact CG1-CG1 4.45Å; I358-V369 HydrophobicContact CG1-CG2 4.25Å
359	Q	90.9	Very high	86.9	Confident	78 Å²	78	45.2 Å²	45.2	36%	0.364	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	127	176.7	-66.8	-179	-9.6	0	0	110.8	V367 V368	Q359-V367 WeakPolarHBondContact O-CA 3.43Å; Q359-V368 HydrophobicContact CB-CG1 3.9Å; Q359-V368 PolarHBondContact N-O 2.85Å; Q359-V368 VanDerWaalsContact N-O 3.07Å; Q359-V368 PolarHBondContact O-N 3.5Å
360	H	91.8	Very high	87.2	Confident	19 Å²	19	44.2 Å²	44.2	9%	0.088	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	149.6	160.5	-70.4	88.6	0	0	0	110.2	S307 F366 V367	S307-H360 PolarHBondContact O-CE1 3.31Å; S307-H360 VanDerWaalsContact O-CE1 3.24Å; S307-H360 PolarHBondContact O-ND1 3.13Å; S307-H360 PolarHBondContact OG-N 3.48Å; S307-H360 PolarHBondContact OG-ND1 2.99Å; H360-F366 WeakPolarHBondContact CA-O 3.1Å; H360-V367 WeakPolarHBondContact CD2-CG2 3.44Å; H360-V367 WeakPolarHBondContact NE2-CG2 3.3Å
361	N	91.3	Very high	87.4	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.016	20%	0.196	C	C	.	.			trans	-74.6	162.3	161.1	79.7	-44.1	0	0	0	109.9	N363 G364 R365 F366 W396 S400	N361-N363 PolarHBondContact ND2-OD1 3.33Å; N361-N363 PolarHBondContact O-N 3.1Å; N361-N363 PolarHBondContact OD1-OD1 3.4Å; N361-G364 PolarHBondContact O-N 2.89Å; N361-G364 PolarHBondContact OD1-N 3.39Å; N361-R365 PolarHBondContact OD1-N 2.91Å; N361-F366 HydrophobicContact CB-CB 4.41Å; N361-F366 PolarHBondContact N-O 2.99Å; N361-F366 PolarHBondContact OD1-N 3.47Å; N361-F366 PolarHBondContact OD1-O 3.03Å; N361-F366 VanDerWaalsContact OD1-O 3.13Å; N361-W396 HydrophobicContact CB-CD2 3.49Å; N361-W396 VanDerWaalsContact CB-CD2 3.49Å; N361-W396 VanDerWaalsContact CB-CE2 3.45Å; N361-W396 HydrophobicContact CB-CE3 3.72Å; N361-W396 HydrophobicContact CB-CG 4.06Å; N361-W396 HydrophobicContact CB-CH2 3.92Å; N361-W396 HydrophobicContact CB-CZ2 3.69Å; N361-W396 HydrophobicContact CB-CZ3 3.93Å; N361-S400 WeakPolarHBondContact ND2-CB 3.15Å; N361-S400 PolarHBondContact ND2-O 2.87Å
362	P	86.3	Confident	87.3	Confident	56 Å²	56	40.8 Å²	40.8	36%	0.364	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.3	-171	-27.3	34	0	0	0	116	A397	P362-A397 WeakPolarHBondContact CG-O 3.43Å
363	N	85	Confident	87.5	Confident	82 Å²	82	33.2 Å²	33.2	44%	0.439	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	12.4	175.4	73.8	18.6	0	0	0	115.6	N361 R365 S400	N361-N363 PolarHBondContact ND2-OD1 3.33Å; N361-N363 PolarHBondContact O-N 3.1Å; N361-N363 PolarHBondContact OD1-OD1 3.4Å; N363-R365 PolarHBondContact O-N 3.36Å; N363-R365 WeakPolarHBondContact OD1-CB 3.24Å; N363-R365 PolarHBondContact OD1-N 3Å; N363-S400 PolarHBondContact N-OG 2.79Å; N363-S400 VanDerWaalsContact N-OG 3.16Å; N363-S400 WeakPolarHBondContact ND2-CB 3.16Å; N363-S400 PolarHBondContact ND2-OG 3.1Å
364	G	85.6	Confident	87.8	Confident	8 Å²	8	37 Å²	37	8%	0.082	19%	0.186	C	C	.	.	S	Bend	trans	66.4	2.9	173.7	0	0	0	0	0	116.3	D309 N361 A380	D309-G364 WeakPolarHBondContact OD1-CA 3.4Å; N361-G364 PolarHBondContact O-N 2.89Å; N361-G364 PolarHBondContact OD1-N 3.39Å; G364-A380 WeakPolarHBondContact O-CB 3.44Å
365	R	88.9	Confident	88.2	Confident	172 Å²	172	35.6 Å²	35.6	65%	0.649	18%	0.181	S	C	*	.	S	Bend	trans	-76.6	-32.3	-175.5	-172.4	178.7	-175	-175.4	3.8	112.8	N361 N363 A380	N361-R365 PolarHBondContact OD1-N 2.91Å; N363-R365 PolarHBondContact O-N 3.36Å; N363-R365 WeakPolarHBondContact OD1-CB 3.24Å; N363-R365 PolarHBondContact OD1-N 3Å; R365-A380 PolarHBondContact O-N 3.32Å
366	F	92.1	Very high	88.6	Confident	18 Å²	18	35.8 Å²	35.8	8%	0.079	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148	-176.6	-56.4	-65.3	0	0	0	110.2	H360 N361 I377 Y378 T379 K386 W396 F418	H360-F366 WeakPolarHBondContact CA-O 3.1Å; N361-F366 HydrophobicContact CB-CB 4.41Å; N361-F366 PolarHBondContact N-O 2.99Å; N361-F366 PolarHBondContact OD1-N 3.47Å; N361-F366 PolarHBondContact OD1-O 3.03Å; N361-F366 VanDerWaalsContact OD1-O 3.13Å; F366-I377 HydrophobicContact CB-CG2 3.91Å; F366-I377 HydrophobicContact CG-CG2 4.43Å; F366-Y378 CarbonylContact C-O 3.59Å; F366-Y378 VanDerWaalsContact CA-O 3.27Å; F366-Y378 WeakPolarHBondContact CA-O 3.34Å; F366-T379 HydrophobicContact CD1-CG2 4.34Å; F366-T379 HydrophobicContact CE1-CG2 4.17Å; F366-K386 HydrophobicContact CD1-CG 4.3Å; F366-K386 HydrophobicContact CE1-CG 4.04Å; F366-W396 HydrophobicContact CB-CH2 4.1Å; F366-W396 HydrophobicContact CB-CZ2 4.24Å; F366-F418 HydrophobicContact CD1-CZ 4.25Å; F366-F418 AromaticContact CD2-CZ 3.99Å; F366-F418 HydrophobicContact CD2-CZ 3.99Å; F366-F418 HydrophobicContact CE1-CE2 4.47Å; F366-F418 AromaticContact CE1-CZ 3.99Å; F366-F418 HydrophobicContact CE1-CZ 3.99Å; F366-F418 HydrophobicContact CE2-CE2 4.25Å; F366-F418 AromaticContact CE2-CZ 3.7Å; F366-F418 HydrophobicContact CE2-CZ 3.7Å; F366-F418 HydrophobicContact CG-CZ 4.26Å; F366-F418 AromaticContact CZ-CE2 4Å; F366-F418 HydrophobicContact CZ-CE2 4Å; F366-F418 AromaticContact CZ-CZ 3.7Å; F366-F418 HydrophobicContact CZ-CZ 3.7Å
367	V	92.1	Very high	89	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.1	170.4	171.8	0	0	0	0	107.3	I315 I358 Q359 H360 V369 I377 Y378 A380	I315-V367 HydrophobicContact CD1-CG2 4.1Å; I358-V367 HydrophobicContact CG2-CG1 3.76Å; Q359-V367 WeakPolarHBondContact O-CA 3.43Å; H360-V367 WeakPolarHBondContact CD2-CG2 3.44Å; H360-V367 WeakPolarHBondContact NE2-CG2 3.3Å; V367-V369 HydrophobicContact CG1-CG2 4.44Å; V367-I377 WeakPolarHBondContact O-CA 3.35Å; V367-Y378 PolarHBondContact N-O 3.1Å; V367-Y378 PolarHBondContact O-N 2.91Å; V367-A380 HydrophobicContact CG2-CB 4.01Å
368	V	92.6	Very high	89.2	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	140	164.9	68.5	0	0	0	0	109.4	I358 Q359 Y375 I376 I377 F394 W396	I358-V368 WeakPolarHBondContact CA-O 3.46Å; Q359-V368 HydrophobicContact CB-CG1 3.9Å; Q359-V368 PolarHBondContact N-O 2.85Å; Q359-V368 VanDerWaalsContact N-O 3.07Å; Q359-V368 PolarHBondContact O-N 3.5Å; V368-Y375 HydrophobicContact CG2-CD2 4.19Å; V368-I376 WeakPolarHBondContact CA-O 3.43Å; V368-I377 HydrophobicContact CB-CG1 4.37Å; V368-I377 HydrophobicContact CG2-CG1 4.11Å; V368-F394 HydrophobicContact CB-CD1 4.13Å; V368-F394 HydrophobicContact CB-CE1 3.96Å; V368-F394 HydrophobicContact CB-CZ 4.17Å; V368-F394 HydrophobicContact CG1-CD1 3.64Å; V368-F394 HydrophobicContact CG1-CE1 3.74Å; V368-F394 HydrophobicContact CG1-CG 4.33Å; V368-F394 HydrophobicContact CG1-CZ 4.45Å; V368-F394 HydrophobicContact CG2-CD1 3.95Å; V368-F394 HydrophobicContact CG2-CD2 3.83Å; V368-F394 HydrophobicContact CG2-CE1 4.08Å; V368-F394 HydrophobicContact CG2-CE2 3.94Å; V368-F394 HydrophobicContact CG2-CG 3.85Å; V368-F394 HydrophobicContact CG2-CZ 4.07Å; V368-W396 HydrophobicContact CB-CZ2 4.19Å
369	V	91.3	Very high	89.1	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.7	169.1	-177.6	0	0	0	0	106.6	I322 I353 P355 I358 V367 Y375 I376 Y378	I322-V369 HydrophobicContact CD1-CG2 3.6Å; I353-V369 HydrophobicContact CD1-CG1 4.39Å; I353-V369 HydrophobicContact CG1-CG1 4.48Å; P355-V369 HydrophobicContact CB-CG1 3.65Å; I358-V369 HydrophobicContact CG1-CG1 4.45Å; I358-V369 HydrophobicContact CG1-CG2 4.25Å; V367-V369 HydrophobicContact CG1-CG2 4.44Å; V369-Y375 CarbonylContact O-C 2.96Å; V369-Y375 WeakPolarHBondContact O-CA 3.49Å; V369-I376 PolarHBondContact N-O 3.48Å; V369-I376 PolarHBondContact O-N 3.1Å; V369-Y378 HydrophobicContact CB-CD2 4.48Å; V369-Y378 HydrophobicContact CB-CE2 4.17Å; V369-Y378 HydrophobicContact CG2-CD2 3.75Å; V369-Y378 HydrophobicContact CG2-CE2 3.75Å
370	C	88.8	Confident	88.8	Confident	13 Å²	13	27.1 Å²	27.1	9%	0.088	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.4	176.1	-52.8	0	0	0	0	110.4	Q356 T357 E374 F394	Q356-C370 PolarHBondContact N-O 2.93Å; T357-C370 PolarHBondContact N-O 2.99Å; T357-C370 PolarHBondContact O-N 3.2Å; T357-C370 WeakPolarHBondContact OG1-CB 3.34Å; C370-E374 WeakPolarHBondContact CA-O 3.4Å; C370-F394 VanDerWaalsContact SG-CB 3.57Å
371	G	85.5	Confident	88.3	Confident	4 Å²	4	33.5 Å²	33.5	4%	0.041	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	143	-173.7	0	0	0	0	0	112	Y354 G373 E374	Y354-G371 WeakPolarHBondContact O-CA 3.24Å; G371-G373 PolarHBondContact O-N 3.33Å; G371-E374 PolarHBondContact N-O 3.5Å; G371-E374 WeakPolarHBondContact O-CA 3.4Å; G371-E374 PolarHBondContact O-N 3.42Å
372	D	78	Confident	87.8	Confident	22 Å²	22	35.6 Å²	35.6	12%	0.118	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	14.5	167.2	-49.6	-36.7	0	0	0	116.4	M1 L3 Y354 Q356	M1-D372 WeakPolarHBondContact CB-O 3.35Å; M1-D372 PolarHBondContact N-O 3.29Å; L3-D372 WeakPolarHBondContact CD1-OD1 3.22Å; L3-D372 WeakPolarHBondContact CG-OD1 3.4Å; Y354-D372 PolarHBondContact N-OD2 2.94Å; Q356-D372 PolarHBondContact NE2-OD1 3.48Å
373	G	82.3	Confident	87.7	Confident	18 Å²	18	34.1 Å²	34.1	19%	0.186	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	15.7	-175.2	0	0	0	0	0	114.6	G371 S390 A391	G371-G373 PolarHBondContact O-N 3.33Å; G373-S390 CarbonylContact O-C 3.53Å; G373-S390 WeakPolarHBondContact O-CA 3.17Å; G373-A391 CarbonylContact C-O 3.51Å; G373-A391 WeakPolarHBondContact CA-O 3.44Å; G373-A391 CarbonylContact O-C 3.52Å; G373-A391 PolarHBondContact O-N 3.09Å; G373-A391 VanDerWaalsContact O-O 3.06Å
374	E	89.5	Confident	87.8	Confident	91 Å²	91	38.6 Å²	38.6	43%	0.425	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	157.4	-177.8	-68.1	168.8	-147.1	0	0	110.5	I353 C370 G371 G389 A391	I353-E374 HydrophobicContact CG2-CB 4.39Å; C370-E374 WeakPolarHBondContact CA-O 3.4Å; G371-E374 PolarHBondContact N-O 3.5Å; G371-E374 WeakPolarHBondContact O-CA 3.4Å; G371-E374 PolarHBondContact O-N 3.42Å; E374-G389 CarbonylContact C-O 3.58Å; E374-G389 VanDerWaalsContact CA-O 3.29Å; E374-G389 WeakPolarHBondContact CA-O 3.21Å; E374-A391 PolarHBondContact N-O 3.36Å
375	Y	92.2	Very high	88	Confident	7 Å²	7	41.6 Å²	41.6	3%	0.027	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145.7	174.1	77.6	-79.5	0	0	0	110.6	V368 V369 I377 F388 G389 A391 F394 Y403 I405	V368-Y375 HydrophobicContact CG2-CD2 4.19Å; V369-Y375 CarbonylContact O-C 2.96Å; V369-Y375 WeakPolarHBondContact O-CA 3.49Å; Y375-I377 HydrophobicContact CD2-CD1 4.44Å; Y375-I377 HydrophobicContact CD2-CG1 3.98Å; Y375-I377 HydrophobicContact CE2-CD1 4.11Å; Y375-I377 HydrophobicContact CE2-CG1 4.04Å; Y375-F388 CarbonylContact O-C 3.56Å; Y375-F388 WeakPolarHBondContact O-CA 3.42Å; Y375-G389 WeakPolarHBondContact CD1-O 3.25Å; Y375-G389 PolarHBondContact N-O 3.44Å; Y375-G389 PolarHBondContact O-N 3.45Å; Y375-A391 HydrophobicContact CD1-CB 3.53Å; Y375-A391 HydrophobicContact CE1-CB 4.16Å; Y375-A391 HydrophobicContact CG-CB 4.34Å; Y375-F394 AromaticContact CD2-CD2 3.47Å; Y375-F394 HydrophobicContact CD2-CD2 3.47Å; Y375-F394 VanDerWaalsContact CD2-CD2 3.47Å; Y375-F394 AromaticContact CD2-CE2 3.59Å; Y375-F394 HydrophobicContact CD2-CE2 3.59Å; Y375-F394 AromaticContact CE2-CD2 3.89Å; Y375-F394 HydrophobicContact CE2-CD2 3.89Å; Y375-F394 AromaticContact CE2-CE2 3.69Å; Y375-F394 HydrophobicContact CE2-CE2 3.69Å; Y375-F394 AromaticContact CG-CD2 3.86Å; Y375-F394 HydrophobicContact CG-CD2 3.86Å; Y375-F394 HydrophobicContact CG-CE2 4.43Å; Y375-Y403 HydrophobicContact CE2-CE2 4.01Å; Y375-I405 HydrophobicContact CD1-CG2 4.32Å; Y375-I405 HydrophobicContact CE1-CD1 3.68Å; Y375-I405 HydrophobicContact CE1-CG2 4.01Å
376	I	92.5	Very high	88.1	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.036	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128	173.6	-51.4	173.6	0	0	0	108.5	I353 V368 V369 Y378 F388	I353-I376 HydrophobicContact CD1-CD1 4.11Å; I353-I376 HydrophobicContact CD1-CG1 4.1Å; I353-I376 HydrophobicContact CG1-CD1 4.15Å; I353-I376 HydrophobicContact CG2-CD1 4.46Å; V368-I376 WeakPolarHBondContact CA-O 3.43Å; V369-I376 PolarHBondContact N-O 3.48Å; V369-I376 PolarHBondContact O-N 3.1Å; I376-Y378 HydrophobicContact CB-CD2 4.4Å; I376-Y378 HydrophobicContact CB-CE2 3.74Å; I376-Y378 HydrophobicContact CG2-CD1 4.3Å; I376-Y378 HydrophobicContact CG2-CD2 4.02Å; I376-Y378 HydrophobicContact CG2-CE1 3.85Å; I376-Y378 HydrophobicContact CG2-CE2 3.51Å; I376-Y378 HydrophobicContact CG2-CG 4.42Å; I376-Y378 VanDerWaalsContact CG2-CZ 3.43Å; I376-F388 HydrophobicContact CG1-CB 4.12Å; I376-F388 HydrophobicContact CG2-CB 4.43Å
377	I	93.1	Very high	88	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.7	174	-48.3	-175.6	0	0	0	109.3	F366 V367 V368 Y375 K386 S387 F394 W396 Y403 F418	F366-I377 HydrophobicContact CB-CG2 3.91Å; F366-I377 HydrophobicContact CG-CG2 4.43Å; V367-I377 WeakPolarHBondContact O-CA 3.35Å; V368-I377 HydrophobicContact CB-CG1 4.37Å; V368-I377 HydrophobicContact CG2-CG1 4.11Å; Y375-I377 HydrophobicContact CD2-CD1 4.44Å; Y375-I377 HydrophobicContact CD2-CG1 3.98Å; Y375-I377 HydrophobicContact CE2-CD1 4.11Å; Y375-I377 HydrophobicContact CE2-CG1 4.04Å; I377-K386 PolarHBondContact O-N 2.84Å; I377-S387 WeakPolarHBondContact CD1-OG 3.42Å; I377-S387 PolarHBondContact N-O 2.81Å; I377-F394 HydrophobicContact CD1-CE2 3.72Å; I377-F394 HydrophobicContact CD1-CZ 3.76Å; I377-F394 HydrophobicContact CG1-CE2 4.17Å; I377-F394 HydrophobicContact CG1-CZ 4.36Å; I377-W396 HydrophobicContact CD1-CH2 3.88Å; I377-W396 HydrophobicContact CD1-CZ2 4.35Å; I377-W396 HydrophobicContact CG2-CH2 3.98Å; I377-W396 HydrophobicContact CG2-CZ2 4.14Å; I377-Y403 HydrophobicContact CD1-CD1 4.25Å; I377-Y403 HydrophobicContact CD1-CE1 3.8Å; I377-Y403 HydrophobicContact CD1-CE2 4.36Å; I377-F418 HydrophobicContact CD1-CD1 4.04Å; I377-F418 HydrophobicContact CD1-CE1 3.91Å; I377-F418 HydrophobicContact CG2-CE1 4.12Å
378	Y	91.6	Very high	88	Confident	15 Å²	15	45.9 Å²	45.9	6%	0.059	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	156.9	178.6	-63	-80.7	0	0	0	111.9	C351 F366 V367 V369 I376 L383 R384 N385	C351-Y378 VanDerWaalsContact SG-CE2 3.58Å; C351-Y378 PolarHBondContact SG-OH 2.79Å; C351-Y378 VanDerWaalsContact SG-OH 3.32Å; F366-Y378 CarbonylContact C-O 3.59Å; F366-Y378 VanDerWaalsContact CA-O 3.27Å; F366-Y378 WeakPolarHBondContact CA-O 3.34Å; V367-Y378 PolarHBondContact N-O 3.1Å; V367-Y378 PolarHBondContact O-N 2.91Å; V369-Y378 HydrophobicContact CB-CD2 4.48Å; V369-Y378 HydrophobicContact CB-CE2 4.17Å; V369-Y378 HydrophobicContact CG2-CD2 3.75Å; V369-Y378 HydrophobicContact CG2-CE2 3.75Å; I376-Y378 HydrophobicContact CB-CD2 4.4Å; I376-Y378 HydrophobicContact CB-CE2 3.74Å; I376-Y378 HydrophobicContact CG2-CD1 4.3Å; I376-Y378 HydrophobicContact CG2-CD2 4.02Å; I376-Y378 HydrophobicContact CG2-CE1 3.85Å; I376-Y378 HydrophobicContact CG2-CE2 3.51Å; I376-Y378 HydrophobicContact CG2-CG 4.42Å; I376-Y378 VanDerWaalsContact CG2-CZ 3.43Å; Y378-L383 HydrophobicContact CD1-CD1 4.34Å; Y378-L383 HydrophobicContact CD1-CG 3.94Å; Y378-L383 WeakPolarHBondContact CD1-O 3.29Å; Y378-L383 HydrophobicContact CD2-CD1 4.25Å; Y378-L383 HydrophobicContact CE1-CG 4.32Å; Y378-L383 HydrophobicContact CG-CD1 3.94Å; Y378-L383 HydrophobicContact CG-CG 4.06Å; Y378-R384 CarbonylContact C-O 3.5Å; Y378-R384 WeakPolarHBondContact CA-O 3.3Å; Y378-N385 HydrophobicContact CD1-CB 4.29Å; Y378-N385 HydrophobicContact CE1-CB 4.23Å
379	T	90.5	Very high	87.9	Confident	26 Å²	26	46.9 Å²	46.9	16%	0.16	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.7	166	60.3	0	0	0	0	110.8	F366 M381 A382 L383 R384 K386	F366-T379 HydrophobicContact CD1-CG2 4.34Å; F366-T379 HydrophobicContact CE1-CG2 4.17Å; T379-M381 VanDerWaalsContact C-N 3.25Å; T379-M381 PolarHBondContact O-N 3.17Å; T379-M381 VanDerWaalsContact O-N 3.1Å; T379-A382 PolarHBondContact O-N 3.36Å; T379-A382 VanDerWaalsContact O-N 3.13Å; T379-L383 WeakPolarHBondContact O-CA 3.15Å; T379-L383 PolarHBondContact O-N 3.35Å; T379-R384 HydrophobicContact CG2-CB 4.44Å; T379-R384 PolarHBondContact N-O 2.67Å; T379-R384 PolarHBondContact OG1-N 3.24Å; T379-K386 HydrophobicContact CG2-CD 4.23Å; T379-K386 VanDerWaalsContact CG2-CE 3.48Å; T379-K386 HydrophobicContact CG2-CG 3.95Å
380	A	83.8	Confident	87.8	Confident	7 Å²	7	49.8 Å²	49.8	6%	0.058	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-36.7	-173.2	0	0	0	0	0	114	I315 M348 G364 R365 V367 A382	I315-A380 HydrophobicContact CD1-CB 4.35Å; M348-A380 WeakPolarHBondContact CE-O 3.47Å; G364-A380 WeakPolarHBondContact O-CB 3.44Å; R365-A380 PolarHBondContact O-N 3.32Å; V367-A380 HydrophobicContact CG2-CB 4.01Å; A380-A382 PolarHBondContact O-N 3.41Å
381	M	81.4	Confident	87.7	Confident	153 Å²	153	49.4 Å²	49.4	75%	0.754	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-16.9	-176.8	-70.4	-176.5	66.7	0	0	116.1	T379	T379-M381 VanDerWaalsContact C-N 3.25Å; T379-M381 PolarHBondContact O-N 3.17Å; T379-M381 VanDerWaalsContact O-N 3.1Å
382	A	81.2	Confident	87.7	Confident	47 Å²	47	52.2 Å²	52.2	39%	0.388	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.5	16.4	-166.9	0	0	0	0	0	114.5	T379 A380 R384	T379-A382 PolarHBondContact O-N 3.36Å; T379-A382 VanDerWaalsContact O-N 3.13Å; A380-A382 PolarHBondContact O-N 3.41Å; A382-R384 HydrophobicContact CB-CG 4.12Å; A382-R384 VanDerWaalsContact O-CG 3.29Å; A382-R384 WeakPolarHBondContact O-CG 3.18Å; A382-R384 PolarHBondContact O-N 3.44Å
383	L	83.6	Confident	88.2	Confident	25 Å²	25	53.6 Å²	53.6	13%	0.131	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	42.3	35.2	179.4	-146.7	71.1	0	0	0	115.8	I322 M348 Y378 T379	I322-L383 HydrophobicContact CB-CD2 4.22Å; I322-L383 HydrophobicContact CD1-CD1 4.3Å; I322-L383 HydrophobicContact CG2-CD1 4.16Å; I322-L383 HydrophobicContact CG2-CD2 4.48Å; M348-L383 HydrophobicContact CB-CD2 4.35Å; Y378-L383 HydrophobicContact CD1-CD1 4.34Å; Y378-L383 HydrophobicContact CD1-CG 3.94Å; Y378-L383 WeakPolarHBondContact CD1-O 3.29Å; Y378-L383 HydrophobicContact CD2-CD1 4.25Å; Y378-L383 HydrophobicContact CE1-CG 4.32Å; Y378-L383 HydrophobicContact CG-CD1 3.94Å; Y378-L383 HydrophobicContact CG-CG 4.06Å; T379-L383 WeakPolarHBondContact O-CA 3.15Å; T379-L383 PolarHBondContact O-N 3.35Å
384	R	87.3	Confident	88.7	Confident	176 Å²	176	53.2 Å²	53.2	66%	0.664	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.8	179.1	-52.4	-172	-167.2	176.3	5.4	110.2	Y378 T379 A382	Y378-R384 CarbonylContact C-O 3.5Å; Y378-R384 WeakPolarHBondContact CA-O 3.3Å; T379-R384 HydrophobicContact CG2-CB 4.44Å; T379-R384 PolarHBondContact N-O 2.67Å; T379-R384 PolarHBondContact OG1-N 3.24Å; A382-R384 HydrophobicContact CB-CG 4.12Å; A382-R384 VanDerWaalsContact O-CG 3.29Å; A382-R384 WeakPolarHBondContact O-CG 3.18Å; A382-R384 PolarHBondContact O-N 3.44Å
385	N	90.3	Very high	88.8	Confident	70 Å²	70	49.5 Å²	49.5	37%	0.374	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	138	176	-171.1	-25.3	0	0	0	110.9	Y378 S387	Y378-N385 HydrophobicContact CD1-CB 4.29Å; Y378-N385 HydrophobicContact CE1-CB 4.23Å; N385-S387 PolarHBondContact OD1-N 3.4Å; N385-S387 VanDerWaalsContact OD1-N 3.15Å
386	K	90.6	Very high	88.9	Confident	114 Å²	114	50 Å²	50	50%	0.496	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-38.6	176.9	-74.1	-56	-165.9	179.9	0	113.4	F366 I377 T379 F418	F366-K386 HydrophobicContact CD1-CG 4.3Å; F366-K386 HydrophobicContact CE1-CG 4.04Å; I377-K386 PolarHBondContact O-N 2.84Å; T379-K386 HydrophobicContact CG2-CD 4.23Å; T379-K386 VanDerWaalsContact CG2-CE 3.48Å; T379-K386 HydrophobicContact CG2-CG 3.95Å; K386-F418 HydrophobicContact CB-CE1 4.49Å
387	S	90.8	Very high	88.9	Confident	17 Å²	17	49.8 Å²	49.8	12%	0.119	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	148.1	179	53.1	0	0	0	0	109	I377 N385 F418	I377-S387 WeakPolarHBondContact CD1-OG 3.42Å; I377-S387 PolarHBondContact N-O 2.81Å; N385-S387 PolarHBondContact OD1-N 3.4Å; N385-S387 VanDerWaalsContact OD1-N 3.15Å; S387-F418 WeakPolarHBondContact OG-CD1 3.48Å
388	F	91.3	Very high	88.5	Confident	150 Å²	150	53.9 Å²	53.9	66%	0.658	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.4	161	176.9	60.8	-86.5	0	0	0	109.7	Y375 I376	Y375-F388 CarbonylContact O-C 3.56Å; Y375-F388 WeakPolarHBondContact O-CA 3.42Å; I376-F388 HydrophobicContact CG1-CB 4.12Å; I376-F388 HydrophobicContact CG2-CB 4.43Å
389	G	90.4	Very high	88.2	Confident	22 Å²	22	56.4 Å²	56.4	23%	0.227	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176	177.3	174	0	0	0	0	0	113.2	E374 Y375	E374-G389 CarbonylContact C-O 3.58Å; E374-G389 VanDerWaalsContact CA-O 3.29Å; E374-G389 WeakPolarHBondContact CA-O 3.21Å; Y375-G389 WeakPolarHBondContact CD1-O 3.25Å; Y375-G389 PolarHBondContact N-O 3.44Å; Y375-G389 PolarHBondContact O-N 3.45Å
390	S	89.1	Confident	87.9	Confident	61 Å²	61	56.2 Å²	56.2	43%	0.427	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	126.2	174.5	51.4	0	0	0	0	111.6	G373	G373-S390 CarbonylContact O-C 3.53Å; G373-S390 WeakPolarHBondContact O-CA 3.17Å
391	A	87.3	Confident	88	Confident	6 Å²	6	57.1 Å²	57.1	5%	0.05	29%	0.292	C	S	.	.			trans	-153.6	138.5	173.5	0	0	0	0	0	110.1	G373 E374 Y375 I405	G373-A391 CarbonylContact C-O 3.51Å; G373-A391 WeakPolarHBondContact CA-O 3.44Å; G373-A391 CarbonylContact O-C 3.52Å; G373-A391 PolarHBondContact O-N 3.09Å; G373-A391 VanDerWaalsContact O-O 3.06Å; E374-A391 PolarHBondContact N-O 3.36Å; Y375-A391 HydrophobicContact CD1-CB 3.53Å; Y375-A391 HydrophobicContact CE1-CB 4.16Å; Y375-A391 HydrophobicContact CG-CB 4.34Å; A391-I405 HydrophobicContact CB-CB 3.89Å; A391-I405 HydrophobicContact CB-CD1 4.44Å; A391-I405 HydrophobicContact CB-CG2 4.19Å
392	Q	85.1	Confident	88.5	Confident	62 Å²	62	50 Å²	50	29%	0.29	26%	0.257	S	S	.	.	S	Bend	trans	-76.1	-35.5	168.5	-59.9	-174	27.1	0	0	111.1	R406 N409	Q392-R406 PolarHBondContact N-O 2.93Å; Q392-N409 PolarHBondContact NE2-OD1 2.88Å; Q392-N409 PolarHBondContact OE1-OD1 3.03Å
393	E	88.1	Confident	89.1	Confident	51 Å²	51	47.9 Å²	47.9	24%	0.238	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	153.5	178.7	-80.1	156.1	-153.8	0	0	110.1	I405 R406 G432 I433	E393-I405 WeakPolarHBondContact O-CA 3.49Å; E393-R406 HydrophobicContact CB-CB 4.15Å; E393-R406 VanDerWaalsContact CD-NE 3.32Å; E393-R406 PolarHBondContact O-N 3.4Å; E393-R406 IonicContact OE1-CZ 2.66Å; E393-R406 IonicContact OE1-NE 3.82Å; E393-R406 IonicContact OE1-NH2 2.79Å; E393-R406 PolarHBondContact OE1-NH2 2.83Å; E393-R406 IonicContact OE2-CZ 3.89Å; E393-R406 IonicContact OE2-NE 3.5Å; E393-R406 PolarHBondContact OE2-NE 3.11Å; E393-R406 IonicContact OE2-NH2 3.23Å; E393-G432 WeakPolarHBondContact OE2-CA 3.21Å; E393-I433 HydrophobicContact CB-CD1 4.2Å; E393-I433 HydrophobicContact CB-CG1 3.82Å; E393-I433 PolarHBondContact OE2-N 3.2Å
394	F	92.8	Very high	89.6	Confident	11 Å²	11	46.7 Å²	46.7	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.6	178.3	-179.6	-72.3	0	0	0	108.3	V368 C370 Y375 I377 W396 Y403 A404 I405	V368-F394 HydrophobicContact CB-CD1 4.13Å; V368-F394 HydrophobicContact CB-CE1 3.96Å; V368-F394 HydrophobicContact CB-CZ 4.17Å; V368-F394 HydrophobicContact CG1-CD1 3.64Å; V368-F394 HydrophobicContact CG1-CE1 3.74Å; V368-F394 HydrophobicContact CG1-CG 4.33Å; V368-F394 HydrophobicContact CG1-CZ 4.45Å; V368-F394 HydrophobicContact CG2-CD1 3.95Å; V368-F394 HydrophobicContact CG2-CD2 3.83Å; V368-F394 HydrophobicContact CG2-CE1 4.08Å; V368-F394 HydrophobicContact CG2-CE2 3.94Å; V368-F394 HydrophobicContact CG2-CG 3.85Å; V368-F394 HydrophobicContact CG2-CZ 4.07Å; C370-F394 VanDerWaalsContact SG-CB 3.57Å; Y375-F394 AromaticContact CD2-CD2 3.47Å; Y375-F394 HydrophobicContact CD2-CD2 3.47Å; Y375-F394 VanDerWaalsContact CD2-CD2 3.47Å; Y375-F394 AromaticContact CD2-CE2 3.59Å; Y375-F394 HydrophobicContact CD2-CE2 3.59Å; Y375-F394 AromaticContact CE2-CD2 3.89Å; Y375-F394 HydrophobicContact CE2-CD2 3.89Å; Y375-F394 AromaticContact CE2-CE2 3.69Å; Y375-F394 HydrophobicContact CE2-CE2 3.69Å; Y375-F394 AromaticContact CG-CD2 3.86Å; Y375-F394 HydrophobicContact CG-CD2 3.86Å; Y375-F394 HydrophobicContact CG-CE2 4.43Å; I377-F394 HydrophobicContact CD1-CE2 3.72Å; I377-F394 HydrophobicContact CD1-CZ 3.76Å; I377-F394 HydrophobicContact CG1-CE2 4.17Å; I377-F394 HydrophobicContact CG1-CZ 4.36Å; F394-W396 AromaticContact CE1-CD1 3.94Å; F394-W396 AromaticContact CE1-CD2 3.72Å; F394-W396 HydrophobicContact CE1-CD2 3.72Å; F394-W396 AromaticContact CE1-CE2 3.53Å; F394-W396 HydrophobicContact CE1-CE3 4.32Å; F394-W396 AromaticContact CE1-CG 3.98Å; F394-W396 HydrophobicContact CE1-CG 3.98Å; F394-W396 AromaticContact CE1-CZ2 3.97Å; F394-W396 HydrophobicContact CE1-CZ2 3.97Å; F394-W396 AromaticContact CE1-NE1 3.68Å; F394-W396 HydrophobicContact CZ-CD2 4.12Å; F394-W396 AromaticContact CZ-CE2 3.89Å; F394-W396 HydrophobicContact CZ-CE3 4.3Å; F394-W396 HydrophobicContact CZ-CH2 4.08Å; F394-W396 AromaticContact CZ-CZ2 3.87Å; F394-W396 HydrophobicContact CZ-CZ2 3.87Å; F394-W396 HydrophobicContact CZ-CZ3 4.29Å; F394-Y403 HydrophobicContact CD2-CD2 4.04Å; F394-Y403 HydrophobicContact CD2-CE2 4.44Å; F394-Y403 HydrophobicContact CE1-CG 4.4Å; F394-Y403 HydrophobicContact CE2-CD1 4.46Å; F394-Y403 AromaticContact CE2-CD2 3.2Å; F394-Y403 HydrophobicContact CE2-CD2 3.2Å; F394-Y403 AromaticContact CE2-CE2 3.59Å; F394-Y403 HydrophobicContact CE2-CE2 3.59Å; F394-Y403 AromaticContact CE2-CG 3.7Å; F394-Y403 HydrophobicContact CE2-CG 3.7Å; F394-Y403 VanDerWaalsContact CZ-CB 3.47Å; F394-Y403 HydrophobicContact CZ-CD1 4.14Å; F394-Y403 AromaticContact CZ-CD2 3.52Å; F394-Y403 HydrophobicContact CZ-CD2 3.52Å; F394-Y403 HydrophobicContact CZ-CE2 4.21Å; F394-Y403 AromaticContact CZ-CG 3.46Å; F394-Y403 HydrophobicContact CZ-CG 3.46Å; F394-Y403 VanDerWaalsContact CZ-CG 3.46Å; F394-A404 WeakPolarHBondContact CA-O 3.28Å; F394-I405 HydrophobicContact CB-CG2 4.35Å; F394-I405 HydrophobicContact CD2-CG2 3.46Å; F394-I405 VanDerWaalsContact CD2-CG2 3.46Å; F394-I405 HydrophobicContact CE2-CG2 4.09Å; F394-I405 HydrophobicContact CG-CG2 4.2Å
395	V	93.1	Very high	89.9	Confident	13 Å²	13	38.5 Å²	38.5	8%	0.079	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	143.1	168.9	-60.3	0	0	0	0	111.8	Y403 A404 I433 L439 W452	V395-Y403 CarbonylContact O-C 3.56Å; V395-Y403 WeakPolarHBondContact O-CA 3.24Å; V395-Y403 WeakPolarHBondContact O-CB 3.12Å; V395-A404 HydrophobicContact CG2-CB 4.08Å; V395-A404 PolarHBondContact N-O 3.01Å; V395-A404 PolarHBondContact O-N 2.99Å; V395-I433 HydrophobicContact CG1-CD1 4.47Å; V395-I433 HydrophobicContact CG1-CG1 4.17Å; V395-I433 WeakPolarHBondContact CG1-O 3.46Å; V395-I433 HydrophobicContact CG2-CB 4.45Å; V395-I433 HydrophobicContact CG2-CD1 4.04Å; V395-I433 HydrophobicContact CG2-CG1 4.32Å; V395-L439 HydrophobicContact CG2-CD1 4.28Å; V395-W452 HydrophobicContact CG2-CH2 4.25Å
396	W	93.6	Very high	89.9	Confident	16 Å²	16	35.6 Å²	35.6	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	145.9	170.8	-65.9	106.3	0	0	0	111.6	N361 F366 V368 I377 F394 Y403 G435 G436	N361-W396 HydrophobicContact CB-CD2 3.49Å; N361-W396 VanDerWaalsContact CB-CD2 3.49Å; N361-W396 VanDerWaalsContact CB-CE2 3.45Å; N361-W396 HydrophobicContact CB-CE3 3.72Å; N361-W396 HydrophobicContact CB-CG 4.06Å; N361-W396 HydrophobicContact CB-CH2 3.92Å; N361-W396 HydrophobicContact CB-CZ2 3.69Å; N361-W396 HydrophobicContact CB-CZ3 3.93Å; F366-W396 HydrophobicContact CB-CH2 4.1Å; F366-W396 HydrophobicContact CB-CZ2 4.24Å; V368-W396 HydrophobicContact CB-CZ2 4.19Å; I377-W396 HydrophobicContact CD1-CH2 3.88Å; I377-W396 HydrophobicContact CD1-CZ2 4.35Å; I377-W396 HydrophobicContact CG2-CH2 3.98Å; I377-W396 HydrophobicContact CG2-CZ2 4.14Å; F394-W396 AromaticContact CE1-CD1 3.94Å; F394-W396 AromaticContact CE1-CD2 3.72Å; F394-W396 HydrophobicContact CE1-CD2 3.72Å; F394-W396 AromaticContact CE1-CE2 3.53Å; F394-W396 HydrophobicContact CE1-CE3 4.32Å; F394-W396 AromaticContact CE1-CG 3.98Å; F394-W396 HydrophobicContact CE1-CG 3.98Å; F394-W396 AromaticContact CE1-CZ2 3.97Å; F394-W396 HydrophobicContact CE1-CZ2 3.97Å; F394-W396 AromaticContact CE1-NE1 3.68Å; F394-W396 HydrophobicContact CZ-CD2 4.12Å; F394-W396 AromaticContact CZ-CE2 3.89Å; F394-W396 HydrophobicContact CZ-CE3 4.3Å; F394-W396 HydrophobicContact CZ-CH2 4.08Å; F394-W396 AromaticContact CZ-CZ2 3.87Å; F394-W396 HydrophobicContact CZ-CZ2 3.87Å; F394-W396 HydrophobicContact CZ-CZ3 4.29Å; W396-Y403 HydrophobicContact CE3-CD1 4.47Å; W396-Y403 AromaticContact CZ3-CD1 3.94Å; W396-Y403 HydrophobicContact CZ3-CD1 3.94Å; W396-Y403 HydrophobicContact CZ3-CG 4.43Å; W396-G435 VanDerWaalsContact O-CA 3.22Å; W396-G435 WeakPolarHBondContact O-CA 3.24Å; W396-G436 PolarHBondContact O-N 3.22Å
397	A	92.2	Very high	89.7	Confident	3 Å²	3	33.1 Å²	33.1	3%	0.025	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-75.7	166.9	159.7	0	0	0	0	0	110.1	P362 D399 E402 W452	P362-A397 WeakPolarHBondContact CG-O 3.43Å; A397-D399 VanDerWaalsContact C-N 3.28Å; A397-E402 HydrophobicContact CB-CB 3.79Å; A397-E402 PolarHBondContact N-O 3.48Å; A397-W452 HydrophobicContact CB-CD2 3.72Å; A397-W452 HydrophobicContact CB-CE3 3.91Å; A397-W452 HydrophobicContact CB-CG 4.36Å; A397-W452 HydrophobicContact CB-CH2 3.83Å; A397-W452 HydrophobicContact CB-CZ2 3.63Å; A397-W452 HydrophobicContact CB-CZ3 3.95Å
398	H	85.3	Confident	89.4	Confident	86 Å²	86	34 Å²	34	40%	0.398	18%	0.182	S	C	.	.	S	Bend	trans	-63.2	-35.7	167.2	-175.1	94.5	0	0	0	111.4	S400 G436 F437	H398-S400 PolarHBondContact O-N 3.19Å; H398-G436 PolarHBondContact N-O 2.85Å; H398-F437 HydrophobicContact CB-CD2 4.3Å; H398-F437 HydrophobicContact CB-CE2 4.33Å; H398-F437 HydrophobicContact CB-CG 4.41Å; H398-F437 HydrophobicContact CB-CZ 4.49Å; H398-F437 AromaticContact CD2-CZ 3.88Å; H398-F437 AromaticContact CE1-CE2 3.71Å; H398-F437 AromaticContact CE1-CZ 3.42Å; H398-F437 VanDerWaalsContact CE1-CZ 3.42Å; H398-F437 WeakPolarHBondContact CE1-CZ 3.39Å; H398-F437 AromaticContact CG-CE2 3.8Å; H398-F437 AromaticContact CG-CZ 3.7Å; H398-F437 AromaticContact ND1-CE2 3.3Å; H398-F437 VanDerWaalsContact ND1-CE2 3.3Å; H398-F437 WeakPolarHBondContact ND1-CE2 3.25Å; H398-F437 AromaticContact ND1-CZ 3.41Å; H398-F437 WeakPolarHBondContact ND1-CZ 3.33Å; H398-F437 AromaticContact NE2-CZ 3.74Å
399	D	85.4	Confident	89	Confident	69 Å²	69	30.9 Å²	30.9	37%	0.369	17%	0.172	S	C	.	.	S	Bend	trans	-63.6	109.3	162.6	175.8	9.8	0	0	0	109.3	A397 S401 E402 K416	A397-D399 VanDerWaalsContact C-N 3.28Å; D399-S401 VanDerWaalsContact CG-OG 3.26Å; D399-S401 PolarHBondContact O-N 3.16Å; D399-S401 WeakPolarHBondContact OD1-CB 3.43Å; D399-S401 PolarHBondContact OD1-N 2.83Å; D399-S401 PolarHBondContact OD1-OG 3.25Å; D399-S401 VanDerWaalsContact OD1-OG 3.11Å; D399-S401 PolarHBondContact OD2-OG 3.47Å; D399-E402 PolarHBondContact O-N 3.24Å; D399-K416 IonicContact OD2-NZ 3.97Å; D399-K416 PolarHBondContact OD2-NZ 2.98Å
400	S	84.1	Confident	88.7	Confident	21 Å²	21	32.6 Å²	32.6	15%	0.147	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-4.3	176.2	-72.4	0	0	0	0	115.3	N361 N363 H398	N361-S400 WeakPolarHBondContact ND2-CB 3.15Å; N361-S400 PolarHBondContact ND2-O 2.87Å; N363-S400 PolarHBondContact N-OG 2.79Å; N363-S400 VanDerWaalsContact N-OG 3.16Å; N363-S400 WeakPolarHBondContact ND2-CB 3.16Å; N363-S400 PolarHBondContact ND2-OG 3.1Å; H398-S400 PolarHBondContact O-N 3.19Å
401	S	86.4	Confident	88.7	Confident	27 Å²	27	31.6 Å²	31.6	19%	0.189	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-11	171	91.1	0	0	0	0	114.4	D399 K416 N417	D399-S401 VanDerWaalsContact CG-OG 3.26Å; D399-S401 PolarHBondContact O-N 3.16Å; D399-S401 WeakPolarHBondContact OD1-CB 3.43Å; D399-S401 PolarHBondContact OD1-N 2.83Å; D399-S401 PolarHBondContact OD1-OG 3.25Å; D399-S401 VanDerWaalsContact OD1-OG 3.11Å; D399-S401 PolarHBondContact OD2-OG 3.47Å; S401-K416 CarbonylContact O-C 3.56Å; S401-K416 WeakPolarHBondContact O-CA 3.37Å; S401-K416 WeakPolarHBondContact OG-CE 3.3Å; S401-N417 PolarHBondContact O-N 2.82Å
402	E	91.1	Very high	88.9	Confident	3 Å²	3	31.3 Å²	31.3	1%	0.014	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.1	-178.9	-68.9	-160.1	-176.7	0	0	114.6	A397 D399 F415 K416 K421	A397-E402 HydrophobicContact CB-CB 3.79Å; A397-E402 PolarHBondContact N-O 3.48Å; D399-E402 PolarHBondContact O-N 3.24Å; E402-F415 VanDerWaalsContact CA-O 3.26Å; E402-F415 WeakPolarHBondContact CA-O 3.27Å; E402-K416 HydrophobicContact CG-CB 3.74Å; E402-K416 HydrophobicContact CG-CD 4.14Å; E402-K416 HydrophobicContact CG-CG 3.55Å; E402-K416 WeakPolarHBondContact OE1-CD 3.32Å; E402-K416 WeakPolarHBondContact OE1-CE 3.33Å; E402-K416 WeakPolarHBondContact OE1-CG 3.34Å; E402-K416 IonicContact OE1-NZ 2.95Å; E402-K416 PolarHBondContact OE1-NZ 2.92Å; E402-K421 WeakPolarHBondContact OE1-CE 3.35Å; E402-K421 IonicContact OE1-NZ 2.74Å; E402-K421 PolarHBondContact OE1-NZ 3.1Å; E402-K421 IonicContact OE2-NZ 3.61Å; E402-K421 PolarHBondContact OE2-NZ 2.95Å
403	Y	93.6	Very high	89.2	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	155.3	173.9	62.6	-92.6	0	0	0	111.4	Y375 I377 F394 V395 W396 I405 F415 F418	Y375-Y403 HydrophobicContact CE2-CE2 4.01Å; I377-Y403 HydrophobicContact CD1-CD1 4.25Å; I377-Y403 HydrophobicContact CD1-CE1 3.8Å; I377-Y403 HydrophobicContact CD1-CE2 4.36Å; F394-Y403 HydrophobicContact CD2-CD2 4.04Å; F394-Y403 HydrophobicContact CD2-CE2 4.44Å; F394-Y403 HydrophobicContact CE1-CG 4.4Å; F394-Y403 HydrophobicContact CE2-CD1 4.46Å; F394-Y403 AromaticContact CE2-CD2 3.2Å; F394-Y403 HydrophobicContact CE2-CD2 3.2Å; F394-Y403 AromaticContact CE2-CE2 3.59Å; F394-Y403 HydrophobicContact CE2-CE2 3.59Å; F394-Y403 AromaticContact CE2-CG 3.7Å; F394-Y403 HydrophobicContact CE2-CG 3.7Å; F394-Y403 VanDerWaalsContact CZ-CB 3.47Å; F394-Y403 HydrophobicContact CZ-CD1 4.14Å; F394-Y403 AromaticContact CZ-CD2 3.52Å; F394-Y403 HydrophobicContact CZ-CD2 3.52Å; F394-Y403 HydrophobicContact CZ-CE2 4.21Å; F394-Y403 AromaticContact CZ-CG 3.46Å; F394-Y403 HydrophobicContact CZ-CG 3.46Å; F394-Y403 VanDerWaalsContact CZ-CG 3.46Å; V395-Y403 CarbonylContact O-C 3.56Å; V395-Y403 WeakPolarHBondContact O-CA 3.24Å; V395-Y403 WeakPolarHBondContact O-CB 3.12Å; W396-Y403 HydrophobicContact CE3-CD1 4.47Å; W396-Y403 AromaticContact CZ3-CD1 3.94Å; W396-Y403 HydrophobicContact CZ3-CD1 3.94Å; W396-Y403 HydrophobicContact CZ3-CG 4.43Å; Y403-I405 HydrophobicContact CD2-CG2 4.03Å; Y403-I405 HydrophobicContact CE2-CG2 4.15Å; Y403-F415 HydrophobicContact CD1-CB 4.01Å; Y403-F415 HydrophobicContact CD2-CB 3.96Å; Y403-F415 HydrophobicContact CD2-CD2 4.13Å; Y403-F415 HydrophobicContact CD2-CG 4.25Å; Y403-F415 HydrophobicContact CE1-CB 3.6Å; Y403-F415 HydrophobicContact CE1-CG 4.31Å; Y403-F415 HydrophobicContact CE2-CB 3.55Å; Y403-F415 HydrophobicContact CE2-CD1 4.2Å; Y403-F415 AromaticContact CE2-CD2 3.59Å; Y403-F415 HydrophobicContact CE2-CD2 3.59Å; Y403-F415 HydrophobicContact CE2-CE2 4.37Å; Y403-F415 AromaticContact CE2-CG 3.51Å; Y403-F415 HydrophobicContact CE2-CG 3.51Å; Y403-F415 HydrophobicContact CG-CB 4.19Å; Y403-F415 AromaticContact CZ-CD1 3.94Å; Y403-F415 AromaticContact CZ-CG 3.56Å; Y403-F415 PolarHBondContact N-O 3.33Å; Y403-F415 VanDerWaalsContact N-O 3.1Å; Y403-F415 PolarHBondContact O-N 2.98Å; Y403-F415 WeakPolarHBondContact OH-CD1 3.45Å; Y403-F418 AromaticContact CE1-CD1 3.89Å; Y403-F418 HydrophobicContact CE1-CD1 3.89Å; Y403-F418 HydrophobicContact CE1-CE1 4.37Å
404	A	93.1	Very high	89.4	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.1	172.9	0	0	0	0	0	110.9	F394 V395 V412 K413 I414 I433 L439 W452	F394-A404 WeakPolarHBondContact CA-O 3.28Å; V395-A404 HydrophobicContact CG2-CB 4.08Å; V395-A404 PolarHBondContact N-O 3.01Å; V395-A404 PolarHBondContact O-N 2.99Å; A404-V412 HydrophobicContact CB-CG1 4.28Å; A404-K413 CarbonylContact C-O 3.56Å; A404-K413 WeakPolarHBondContact CA-O 3.5Å; A404-I414 HydrophobicContact CB-CG1 4.41Å; A404-I433 HydrophobicContact CB-CD1 4.41Å; A404-L439 HydrophobicContact CB-CD1 3.69Å; A404-L439 HydrophobicContact CB-CD2 4.2Å; A404-W452 HydrophobicContact CB-CH2 3.75Å; A404-W452 HydrophobicContact CB-CZ3 3.62Å
405	I	93.4	Very high	89.4	Confident	4 Å²	4	28 Å²	28	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.1	171	66.3	177.2	0	0	0	111.4	Y375 A391 E393 F394 Y403 V412 K413 F415	Y375-I405 HydrophobicContact CD1-CG2 4.32Å; Y375-I405 HydrophobicContact CE1-CD1 3.68Å; Y375-I405 HydrophobicContact CE1-CG2 4.01Å; A391-I405 HydrophobicContact CB-CB 3.89Å; A391-I405 HydrophobicContact CB-CD1 4.44Å; A391-I405 HydrophobicContact CB-CG2 4.19Å; E393-I405 WeakPolarHBondContact O-CA 3.49Å; F394-I405 HydrophobicContact CB-CG2 4.35Å; F394-I405 HydrophobicContact CD2-CG2 3.46Å; F394-I405 VanDerWaalsContact CD2-CG2 3.46Å; F394-I405 HydrophobicContact CE2-CG2 4.09Å; F394-I405 HydrophobicContact CG-CG2 4.2Å; Y403-I405 HydrophobicContact CD2-CG2 4.03Å; Y403-I405 HydrophobicContact CE2-CG2 4.15Å; I405-V412 WeakPolarHBondContact O-CA 3.41Å; I405-K413 HydrophobicContact CD1-CB 4.49Å; I405-K413 HydrophobicContact CG1-CB 3.93Å; I405-K413 PolarHBondContact N-O 3.29Å; I405-K413 PolarHBondContact O-N 3.03Å; I405-F415 HydrophobicContact CD1-CE2 3.57Å; I405-F415 HydrophobicContact CD1-CZ 4.07Å; I405-F415 HydrophobicContact CG1-CD2 4.45Å; I405-F415 HydrophobicContact CG1-CE2 3.82Å
406	R	91.4	Very high	89.3	Confident	10 Å²	10	30.5 Å²	30.5	4%	0.038	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	96.7	172.7	-165.1	169.7	65.6	68.8	1.9	108.9	Q392 E393 S408 N409 A430 I433	Q392-R406 PolarHBondContact N-O 2.93Å; E393-R406 HydrophobicContact CB-CB 4.15Å; E393-R406 VanDerWaalsContact CD-NE 3.32Å; E393-R406 PolarHBondContact O-N 3.4Å; E393-R406 IonicContact OE1-CZ 2.66Å; E393-R406 IonicContact OE1-NE 3.82Å; E393-R406 IonicContact OE1-NH2 2.79Å; E393-R406 PolarHBondContact OE1-NH2 2.83Å; E393-R406 IonicContact OE2-CZ 3.89Å; E393-R406 IonicContact OE2-NE 3.5Å; E393-R406 PolarHBondContact OE2-NE 3.11Å; E393-R406 IonicContact OE2-NH2 3.23Å; R406-S408 WeakPolarHBondContact CG-O 3.37Å; R406-N409 PolarHBondContact NH1-OD1 2.94Å; R406-A430 WeakPolarHBondContact CD-O 3.16Å; R406-A430 HydrophobicContact CG-CB 4.35Å; R406-I433 HydrophobicContact CB-CD1 3.89Å; R406-I433 HydrophobicContact CB-CG1 4.11Å; R406-I433 HydrophobicContact CB-CG2 4.4Å
407	E	86.3	Confident	89.1	Confident	61 Å²	61	34.6 Å²	34.6	29%	0.285	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-38.7	-178.6	-177.5	173.9	-117.5	0	0	111.1	I411 K413	E407-I411 PolarHBondContact N-O 3.5Å; E407-K413 IonicContact OE1-NZ 2.73Å; E407-K413 PolarHBondContact OE1-NZ 3.48Å; E407-K413 WeakPolarHBondContact OE2-CE 3.46Å; E407-K413 IonicContact OE2-NZ 2.98Å; E407-K413 PolarHBondContact OE2-NZ 2.93Å
408	S	84.3	Confident	89	Confident	36 Å²	36	37.4 Å²	37.4	25%	0.252	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	174.2	175.6	66.9	0	0	0	0	110.7	R406 S410 I411	R406-S408 WeakPolarHBondContact CG-O 3.37Å; S408-S410 PolarHBondContact O-N 2.78Å; S408-I411 PolarHBondContact O-N 3.34Å
409	N	82.3	Confident	89.2	Confident	84 Å²	84	41 Å²	41	45%	0.449	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	4	-177.4	-61.3	27.1	0	0	0	114.6	Q392 R406 A430	Q392-N409 PolarHBondContact NE2-OD1 2.88Å; Q392-N409 PolarHBondContact OE1-OD1 3.03Å; R406-N409 PolarHBondContact NH1-OD1 2.94Å; N409-A430 CarbonylContact C-O 3.58Å; N409-A430 VanDerWaalsContact CA-O 3.26Å; N409-A430 WeakPolarHBondContact CA-O 3.31Å; N409-A430 PolarHBondContact O-N 2.92Å
410	S	84.3	Confident	89.4	Confident	59 Å²	59	42.4 Å²	42.4	41%	0.413	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.5	7.1	180	60.5	0	0	0	0	114.2	S408 K425	S408-S410 PolarHBondContact O-N 2.78Å; S410-K425 WeakPolarHBondContact O-CB 3.45Å; S410-K425 VanDerWaalsContact O-CG 3.32Å; S410-K425 WeakPolarHBondContact O-CG 3.41Å
411	I	89.3	Confident	89.6	Confident	39 Å²	39	44.7 Å²	44.7	20%	0.2	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	120.2	-178.5	-59.8	177.3	0	0	0	109.5	E407 S408 K413 K425	E407-I411 PolarHBondContact N-O 3.5Å; S408-I411 PolarHBondContact O-N 3.34Å; I411-K413 HydrophobicContact CG2-CG 4.26Å; I411-K425 HydrophobicContact CG1-CG 4.47Å
412	V	91.4	Very high	89.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.1	171.1	-176.9	0	0	0	0	108.4	A404 I405 F424 P426 A430 I433 L439	A404-V412 HydrophobicContact CB-CG1 4.28Å; I405-V412 WeakPolarHBondContact O-CA 3.41Å; V412-F424 HydrophobicContact CB-CD1 4.35Å; V412-F424 HydrophobicContact CB-CE1 3.93Å; V412-F424 HydrophobicContact CB-CZ 4.34Å; V412-F424 HydrophobicContact CG1-CE1 3.98Å; V412-F424 HydrophobicContact CG1-CZ 4.49Å; V412-F424 PolarHBondContact N-O 3.18Å; V412-F424 VanDerWaalsContact N-O 3.08Å; V412-F424 PolarHBondContact O-N 3.45Å; V412-P426 HydrophobicContact CG2-CG 4.13Å; V412-A430 HydrophobicContact CG2-CB 3.96Å; V412-I433 HydrophobicContact CG1-CG2 4.41Å; V412-I433 HydrophobicContact CG2-CG2 4.12Å; V412-L439 HydrophobicContact CG1-CD2 4.17Å
413	K	92.1	Very high	89.4	Confident	32 Å²	32	49.7 Å²	49.7	14%	0.139	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.7	178.9	-71.8	175.7	169.3	175.2	0	109.9	A404 I405 E407 I411 F415 E420	A404-K413 CarbonylContact C-O 3.56Å; A404-K413 WeakPolarHBondContact CA-O 3.5Å; I405-K413 HydrophobicContact CD1-CB 4.49Å; I405-K413 HydrophobicContact CG1-CB 3.93Å; I405-K413 PolarHBondContact N-O 3.29Å; I405-K413 PolarHBondContact O-N 3.03Å; E407-K413 IonicContact OE1-NZ 2.73Å; E407-K413 PolarHBondContact OE1-NZ 3.48Å; E407-K413 WeakPolarHBondContact OE2-CE 3.46Å; E407-K413 IonicContact OE2-NZ 2.98Å; E407-K413 PolarHBondContact OE2-NZ 2.93Å; I411-K413 HydrophobicContact CG2-CG 4.26Å; K413-F415 HydrophobicContact CB-CD2 4.35Å; K413-F415 HydrophobicContact CB-CE2 3.65Å; K413-F415 HydrophobicContact CB-CZ 4.48Å; K413-F415 HydrophobicContact CD-CE2 4.44Å; K413-E420 WeakPolarHBondContact CE-OE1 3.5Å; K413-E420 IonicContact NZ-OE2 3.84Å
414	I	92.7	Very high	89.2	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.6	175.4	-58.8	179.7	0	0	0	108.9	A404 K421 K422 F424 L439 W452 T455	A404-I414 HydrophobicContact CB-CG1 4.41Å; I414-K421 HydrophobicContact CG2-CD 4.14Å; I414-K421 WeakPolarHBondContact O-CB 3.48Å; I414-K421 PolarHBondContact O-N 3.42Å; I414-K422 PolarHBondContact N-O 2.8Å; I414-K422 PolarHBondContact O-N 2.86Å; I414-F424 HydrophobicContact CD1-CE1 4.16Å; I414-F424 HydrophobicContact CG1-CE1 4.42Å; I414-L439 HydrophobicContact CD1-CD2 3.79Å; I414-L439 HydrophobicContact CG1-CD2 4.13Å; I414-W452 HydrophobicContact CD1-CE3 4.26Å; I414-W452 HydrophobicContact CG2-CE3 4.07Å; I414-W452 HydrophobicContact CG2-CZ3 4.38Å; I414-T455 HydrophobicContact CD1-CG2 3.49Å; I414-T455 VanDerWaalsContact CD1-CG2 3.49Å
415	F	92.7	Very high	88.8	Confident	23 Å²	23	58.1 Å²	58.1	10%	0.101	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.1	178.8	-69.7	-107.6	0	0	0	110.1	E402 Y403 I405 K413 K419 E420	E402-F415 VanDerWaalsContact CA-O 3.26Å; E402-F415 WeakPolarHBondContact CA-O 3.27Å; Y403-F415 HydrophobicContact CD1-CB 4.01Å; Y403-F415 HydrophobicContact CD2-CB 3.96Å; Y403-F415 HydrophobicContact CD2-CD2 4.13Å; Y403-F415 HydrophobicContact CD2-CG 4.25Å; Y403-F415 HydrophobicContact CE1-CB 3.6Å; Y403-F415 HydrophobicContact CE1-CG 4.31Å; Y403-F415 HydrophobicContact CE2-CB 3.55Å; Y403-F415 HydrophobicContact CE2-CD1 4.2Å; Y403-F415 AromaticContact CE2-CD2 3.59Å; Y403-F415 HydrophobicContact CE2-CD2 3.59Å; Y403-F415 HydrophobicContact CE2-CE2 4.37Å; Y403-F415 AromaticContact CE2-CG 3.51Å; Y403-F415 HydrophobicContact CE2-CG 3.51Å; Y403-F415 HydrophobicContact CG-CB 4.19Å; Y403-F415 AromaticContact CZ-CD1 3.94Å; Y403-F415 AromaticContact CZ-CG 3.56Å; Y403-F415 PolarHBondContact N-O 3.33Å; Y403-F415 VanDerWaalsContact N-O 3.1Å; Y403-F415 PolarHBondContact O-N 2.98Å; Y403-F415 WeakPolarHBondContact OH-CD1 3.45Å; I405-F415 HydrophobicContact CD1-CE2 3.57Å; I405-F415 HydrophobicContact CD1-CZ 4.07Å; I405-F415 HydrophobicContact CG1-CD2 4.45Å; I405-F415 HydrophobicContact CG1-CE2 3.82Å; K413-F415 HydrophobicContact CB-CD2 4.35Å; K413-F415 HydrophobicContact CB-CE2 3.65Å; K413-F415 HydrophobicContact CB-CZ 4.48Å; K413-F415 HydrophobicContact CD-CE2 4.44Å; F415-K419 CarbonylContact C-O 3.53Å; F415-K419 WeakPolarHBondContact CA-O 3.28Å; F415-K419 VanDerWaalsContact CD1-C 3.43Å; F415-E420 HydrophobicContact CD1-CB 4.18Å; F415-E420 VanDerWaalsContact CD1-N 3.34Å; F415-E420 HydrophobicContact CE1-CB 3.81Å; F415-E420 HydrophobicContact CE1-CG 4.41Å; F415-E420 HydrophobicContact CE2-CG 4.5Å; F415-E420 HydrophobicContact CZ-CB 4.08Å; F415-E420 HydrophobicContact CZ-CG 4.19Å
416	K	91.2	Very high	88.4	Confident	66 Å²	66	58.4 Å²	58.4	29%	0.287	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.7	166.4	-166.9	179.2	-156.3	84.2	0	109.4	D399 S401 E402 F418 K419 K421	D399-K416 IonicContact OD2-NZ 3.97Å; D399-K416 PolarHBondContact OD2-NZ 2.98Å; S401-K416 CarbonylContact O-C 3.56Å; S401-K416 WeakPolarHBondContact O-CA 3.37Å; S401-K416 WeakPolarHBondContact OG-CE 3.3Å; E402-K416 HydrophobicContact CG-CB 3.74Å; E402-K416 HydrophobicContact CG-CD 4.14Å; E402-K416 HydrophobicContact CG-CG 3.55Å; E402-K416 WeakPolarHBondContact OE1-CD 3.32Å; E402-K416 WeakPolarHBondContact OE1-CE 3.33Å; E402-K416 WeakPolarHBondContact OE1-CG 3.34Å; E402-K416 IonicContact OE1-NZ 2.95Å; E402-K416 PolarHBondContact OE1-NZ 2.92Å; K416-F418 VanDerWaalsContact C-N 3.27Å; K416-F418 PolarHBondContact O-N 2.9Å; K416-K419 PolarHBondContact N-O 3.34Å; K416-K419 PolarHBondContact O-N 3.26Å; K416-K419 VanDerWaalsContact O-N 3.12Å; K416-K421 HydrophobicContact CB-CD 4.29Å
417	N	89.4	Confident	87.8	Confident	102 Å²	102	63.2 Å²	63.2	55%	0.545	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	45.2	-176.7	-68.9	-71	0	0	0	113.4	S401 K419	S401-N417 PolarHBondContact O-N 2.82Å; N417-K419 VanDerWaalsContact C-N 3.26Å; N417-K419 PolarHBondContact O-N 3.46Å
418	F	88.8	Confident	87.5	Confident	62 Å²	62	65.3 Å²	65.3	27%	0.272	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	23.9	179.8	-42.9	-73.3	0	0	0	115.2	F366 I377 K386 S387 Y403 K416	F366-F418 HydrophobicContact CD1-CZ 4.25Å; F366-F418 AromaticContact CD2-CZ 3.99Å; F366-F418 HydrophobicContact CD2-CZ 3.99Å; F366-F418 HydrophobicContact CE1-CE2 4.47Å; F366-F418 AromaticContact CE1-CZ 3.99Å; F366-F418 HydrophobicContact CE1-CZ 3.99Å; F366-F418 HydrophobicContact CE2-CE2 4.25Å; F366-F418 AromaticContact CE2-CZ 3.7Å; F366-F418 HydrophobicContact CE2-CZ 3.7Å; F366-F418 HydrophobicContact CG-CZ 4.26Å; F366-F418 AromaticContact CZ-CE2 4Å; F366-F418 HydrophobicContact CZ-CE2 4Å; F366-F418 AromaticContact CZ-CZ 3.7Å; F366-F418 HydrophobicContact CZ-CZ 3.7Å; I377-F418 HydrophobicContact CD1-CD1 4.04Å; I377-F418 HydrophobicContact CD1-CE1 3.91Å; I377-F418 HydrophobicContact CG2-CE1 4.12Å; K386-F418 HydrophobicContact CB-CE1 4.49Å; S387-F418 WeakPolarHBondContact OG-CD1 3.48Å; Y403-F418 AromaticContact CE1-CD1 3.89Å; Y403-F418 HydrophobicContact CE1-CD1 3.89Å; Y403-F418 HydrophobicContact CE1-CE1 4.37Å; K416-F418 VanDerWaalsContact C-N 3.27Å; K416-F418 PolarHBondContact O-N 2.9Å
419	K	89.7	Confident	87.4	Confident	161 Å²	161	64.3 Å²	64.3	70%	0.7	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.9	173.2	-63.3	-177.6	-179	-179.1	0	110.4	F415 K416 N417 K421	F415-K419 CarbonylContact C-O 3.53Å; F415-K419 WeakPolarHBondContact CA-O 3.28Å; F415-K419 VanDerWaalsContact CD1-C 3.43Å; K416-K419 PolarHBondContact N-O 3.34Å; K416-K419 PolarHBondContact O-N 3.26Å; K416-K419 VanDerWaalsContact O-N 3.12Å; N417-K419 VanDerWaalsContact C-N 3.26Å; N417-K419 PolarHBondContact O-N 3.46Å; K419-K421 PolarHBondContact O-N 3.24Å
420	E	90.1	Very high	87.5	Confident	98 Å²	98	60.4 Å²	60.4	46%	0.458	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	121.5	177	-164.5	169.2	153	0	0	109.4	K413 F415 S423	K413-E420 WeakPolarHBondContact CE-OE1 3.5Å; K413-E420 IonicContact NZ-OE2 3.84Å; F415-E420 HydrophobicContact CD1-CB 4.18Å; F415-E420 VanDerWaalsContact CD1-N 3.34Å; F415-E420 HydrophobicContact CE1-CB 3.81Å; F415-E420 HydrophobicContact CE1-CG 4.41Å; F415-E420 HydrophobicContact CE2-CG 4.5Å; F415-E420 HydrophobicContact CZ-CB 4.08Å; F415-E420 HydrophobicContact CZ-CG 4.19Å; E420-S423 WeakPolarHBondContact OE1-CB 3.32Å
421	K	88.1	Confident	87.6	Confident	70 Å²	70	61.9 Å²	61.9	30%	0.304	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-49.3	-177.6	177.8	-168	-177.2	-176.2	0	109.8	E402 I414 K416 K419 W452	E402-K421 WeakPolarHBondContact OE1-CE 3.35Å; E402-K421 IonicContact OE1-NZ 2.74Å; E402-K421 PolarHBondContact OE1-NZ 3.1Å; E402-K421 IonicContact OE2-NZ 3.61Å; E402-K421 PolarHBondContact OE2-NZ 2.95Å; I414-K421 HydrophobicContact CG2-CD 4.14Å; I414-K421 WeakPolarHBondContact O-CB 3.48Å; I414-K421 PolarHBondContact O-N 3.42Å; K416-K421 HydrophobicContact CB-CD 4.29Å; K419-K421 PolarHBondContact O-N 3.24Å; K421-W452 PolarHBondContact NZ-O 3.46Å
422	K	86.3	Confident	87.5	Confident	72 Å²	72	60.1 Å²	60.1	31%	0.313	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	152.1	179.1	-77.4	-179.2	172.6	173.4	0	110.2	I414 E453 N454 T455	I414-K422 PolarHBondContact N-O 2.8Å; I414-K422 PolarHBondContact O-N 2.86Å; K422-E453 PolarHBondContact NZ-O 2.82Å; K422-N454 VanDerWaalsContact NZ-CA 3.25Å; K422-N454 PolarHBondContact NZ-O 2.64Å; K422-T455 HydrophobicContact CD-CG2 3.87Å; K422-T455 WeakPolarHBondContact CD-OG1 3.14Å
423	S	87.5	Confident	87.6	Confident	62 Å²	62	60.5 Å²	60.5	43%	0.434	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.6	167	-178.9	0	0	0	0	107.6	E420	E420-S423 WeakPolarHBondContact OE1-CB 3.32Å
424	F	88.2	Confident	87.6	Confident	29 Å²	29	60.3 Å²	60.3	13%	0.127	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	166.8	-176.8	79.5	-75.6	0	0	0	112	V412 I414 P426 L439 Y450 T455	V412-F424 HydrophobicContact CB-CD1 4.35Å; V412-F424 HydrophobicContact CB-CE1 3.93Å; V412-F424 HydrophobicContact CB-CZ 4.34Å; V412-F424 HydrophobicContact CG1-CE1 3.98Å; V412-F424 HydrophobicContact CG1-CZ 4.49Å; V412-F424 PolarHBondContact N-O 3.18Å; V412-F424 VanDerWaalsContact N-O 3.08Å; V412-F424 PolarHBondContact O-N 3.45Å; I414-F424 HydrophobicContact CD1-CE1 4.16Å; I414-F424 HydrophobicContact CG1-CE1 4.42Å; F424-P426 HydrophobicContact CD2-CG 4.37Å; F424-P426 HydrophobicContact CE2-CG 3.9Å; F424-P426 HydrophobicContact CZ-CG 4.45Å; F424-L439 HydrophobicContact CE1-CD2 3.93Å; F424-L439 HydrophobicContact CZ-CD2 3.98Å; F424-Y450 AromaticContact CE2-CD1 3.96Å; F424-Y450 HydrophobicContact CE2-CD1 3.96Å; F424-Y450 HydrophobicContact CE2-CD2 4.22Å; F424-Y450 HydrophobicContact CE2-CE1 4.01Å; F424-Y450 HydrophobicContact CE2-CE2 4.24Å; F424-Y450 HydrophobicContact CE2-CG 4.07Å; F424-Y450 HydrophobicContact CZ-CD1 4.45Å; F424-Y450 HydrophobicContact CZ-CD2 4.29Å; F424-Y450 HydrophobicContact CZ-CG 4.16Å; F424-T455 HydrophobicContact CD1-CG2 3.88Å; F424-T455 HydrophobicContact CE1-CG2 3.95Å; F424-T455 HydrophobicContact CG-CG2 4.41Å
425	K	86.5	Confident	87.5	Confident	150 Å²	150	61.3 Å²	61.3	65%	0.652	30%	0.3	S	S	*	.			trans	-122.9	108.5	-178.5	-58.5	-167.3	176.7	179.9	0	108.8	S410 I411	S410-K425 WeakPolarHBondContact O-CB 3.45Å; S410-K425 VanDerWaalsContact O-CG 3.32Å; S410-K425 WeakPolarHBondContact O-CG 3.41Å; I411-K425 HydrophobicContact CG1-CG 4.47Å
426	P	84.2	Confident	87.3	Confident	10 Å²	10	61 Å²	61	7%	0.065	30%	0.303	C	S	.	.			trans	-61.4	143.3	172.4	-23.5	34.8	0	0	0	111.4	V412 F424 F428 G429 A430 V441 Y450	V412-P426 HydrophobicContact CG2-CG 4.13Å; F424-P426 HydrophobicContact CD2-CG 4.37Å; F424-P426 HydrophobicContact CE2-CG 3.9Å; F424-P426 HydrophobicContact CZ-CG 4.45Å; P426-F428 VanDerWaalsContact C-N 3.32Å; P426-F428 PolarHBondContact O-N 3.46Å; P426-G429 PolarHBondContact O-N 3.34Å; P426-A430 HydrophobicContact CG-CB 4.42Å; P426-V441 HydrophobicContact CB-CG1 4.2Å; P426-V441 HydrophobicContact CG-CG1 3.96Å; P426-V441 HydrophobicContact CG-CG2 4.49Å; P426-Y450 HydrophobicContact CB-CE2 4.35Å
427	D	78.4	Confident	87.2	Confident	111 Å²	111	60.8 Å²	60.8	59%	0.594	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-40.6	-168.2	-45.2	-63.3	0	0	0	113.1	R460	D427-R460 IonicContact OD2-CZ 3.99Å; D427-R460 IonicContact OD2-NH2 3.06Å; D427-R460 PolarHBondContact OD2-NH2 3.46Å
428	F	80.9	Confident	87.3	Confident	106 Å²	106	56.2 Å²	56.2	47%	0.465	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	14.4	178.7	-58.1	-60.5	0	0	0	113.2	P426	P426-F428 VanDerWaalsContact C-N 3.32Å; P426-F428 PolarHBondContact O-N 3.46Å
429	G	82.5	Confident	87.5	Confident	15 Å²	15	53.3 Å²	53.3	16%	0.155	27%	0.265	C	S	.	.			trans	74.1	-173.5	-174	0	0	0	0	0	113.9	P426	P426-G429 PolarHBondContact O-N 3.34Å
430	A	83.8	Confident	87.7	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.008	23%	0.232	C	C	.	.			trans	-136.7	112.7	-177	0	0	0	0	0	111	R406 N409 V412 P426 V441	R406-A430 WeakPolarHBondContact CD-O 3.16Å; R406-A430 HydrophobicContact CG-CB 4.35Å; N409-A430 CarbonylContact C-O 3.58Å; N409-A430 VanDerWaalsContact CA-O 3.26Å; N409-A430 WeakPolarHBondContact CA-O 3.31Å; N409-A430 PolarHBondContact O-N 2.92Å; V412-A430 HydrophobicContact CG2-CB 3.96Å; P426-A430 HydrophobicContact CG-CB 4.42Å; A430-V441 HydrophobicContact CB-CG1 3.68Å
431	E	85.8	Confident	87.8	Confident	91 Å²	91	41.1 Å²	41.1	43%	0.425	21%	0.211	S	C	.	.	S	Bend	trans	-97.8	-20.9	171.7	-60.9	-157.3	131.2	0	0	113.1	R442 V444	E431-R442 PolarHBondContact N-O 2.84Å; E431-V444 HydrophobicContact CG-CG2 4.42Å
432	G	87.8	Confident	87.9	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	147.5	177.7	0	0	0	0	0	111.2	E393 R442	E393-G432 WeakPolarHBondContact OE2-CA 3.21Å; G432-R442 PolarHBondContact N-O 2.77Å; G432-R442 PolarHBondContact O-N 2.9Å
433	I	92.8	Very high	88.1	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.041	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.6	167.5	54.6	169.8	0	0	0	112.4	E393 V395 A404 R406 V412 G440 V441	E393-I433 HydrophobicContact CB-CD1 4.2Å; E393-I433 HydrophobicContact CB-CG1 3.82Å; E393-I433 PolarHBondContact OE2-N 3.2Å; V395-I433 HydrophobicContact CG1-CD1 4.47Å; V395-I433 HydrophobicContact CG1-CG1 4.17Å; V395-I433 WeakPolarHBondContact CG1-O 3.46Å; V395-I433 HydrophobicContact CG2-CB 4.45Å; V395-I433 HydrophobicContact CG2-CD1 4.04Å; V395-I433 HydrophobicContact CG2-CG1 4.32Å; A404-I433 HydrophobicContact CB-CD1 4.41Å; R406-I433 HydrophobicContact CB-CD1 3.89Å; R406-I433 HydrophobicContact CB-CG1 4.11Å; R406-I433 HydrophobicContact CB-CG2 4.4Å; V412-I433 HydrophobicContact CG1-CG2 4.41Å; V412-I433 HydrophobicContact CG2-CG2 4.12Å; I433-G440 CarbonylContact C-O 3.57Å; I433-G440 WeakPolarHBondContact CA-O 3.48Å; I433-V441 HydrophobicContact CG2-CG2 4.33Å
434	Y	93.2	Very high	87.9	Confident	28 Å²	28	38.7 Å²	38.7	11%	0.11	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139	-179.5	-59.5	-72.8	0	0	0	110.9	G440 R442 L447 P465 K466 I468	Y434-G440 PolarHBondContact N-O 3.39Å; Y434-G440 PolarHBondContact O-N 3.09Å; Y434-R442 HydrophobicContact CE2-CB 4.12Å; Y434-R442 PolarHBondContact OH-NH1 3.15Å; Y434-L447 HydrophobicContact CD2-CD1 4.41Å; Y434-P465 HydrophobicContact CD2-CG 4.45Å; Y434-P465 HydrophobicContact CE2-CB 4.11Å; Y434-P465 HydrophobicContact CE2-CG 3.62Å; Y434-P465 PolarHBondContact OH-O 2.95Å; Y434-K466 VanDerWaalsContact OH-C 3.31Å; Y434-K466 PolarHBondContact OH-O 3.49Å; Y434-K466 VanDerWaalsContact OH-O 3.07Å; Y434-I468 HydrophobicContact CD1-CB 4.31Å; Y434-I468 HydrophobicContact CD1-CG1 4.18Å; Y434-I468 HydrophobicContact CD2-CD1 3.43Å; Y434-I468 VanDerWaalsContact CD2-CD1 3.43Å; Y434-I468 HydrophobicContact CD2-CG1 3.88Å; Y434-I468 HydrophobicContact CE2-CD1 4.04Å; Y434-I468 HydrophobicContact CE2-CG1 4.23Å; Y434-I468 HydrophobicContact CG-CB 4.13Å; Y434-I468 HydrophobicContact CG-CD1 3.71Å; Y434-I468 HydrophobicContact CG-CG1 3.83Å
435	G	89.5	Confident	87.5	Confident	21 Å²	21	42.2 Å²	42.2	22%	0.216	22%	0.219	C	C	.	.			trans	-90.7	-176	179.6	0	0	0	0	0	113.8	W396 W470	W396-G435 VanDerWaalsContact O-CA 3.22Å; W396-G435 WeakPolarHBondContact O-CA 3.24Å; G435-W470 VanDerWaalsContact O-CD1 3.28Å; G435-W470 PolarHBondContact O-NE1 3.28Å
436	G	89.3	Confident	87.5	Confident	17 Å²	17	35.2 Å²	35.2	18%	0.175	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	119.3	-147.6	179.5	0	0	0	0	0	113.1	W396 H398 W452	W396-G436 PolarHBondContact O-N 3.22Å; H398-G436 PolarHBondContact N-O 2.85Å; G436-W452 PolarHBondContact O-NE1 3.28Å; G436-W452 VanDerWaalsContact O-NE1 3.17Å
437	F	89.6	Confident	87.8	Confident	60 Å²	60	34.8 Å²	34.8	26%	0.263	19%	0.187	S	C	.	.	S	Bend	trans	-68.4	-34.3	-177.6	-80.2	-96.4	0	0	0	113	H398 W452 W470 S471 D472 G474	H398-F437 HydrophobicContact CB-CD2 4.3Å; H398-F437 HydrophobicContact CB-CE2 4.33Å; H398-F437 HydrophobicContact CB-CG 4.41Å; H398-F437 HydrophobicContact CB-CZ 4.49Å; H398-F437 AromaticContact CD2-CZ 3.88Å; H398-F437 AromaticContact CE1-CE2 3.71Å; H398-F437 AromaticContact CE1-CZ 3.42Å; H398-F437 VanDerWaalsContact CE1-CZ 3.42Å; H398-F437 WeakPolarHBondContact CE1-CZ 3.39Å; H398-F437 AromaticContact CG-CE2 3.8Å; H398-F437 AromaticContact CG-CZ 3.7Å; H398-F437 AromaticContact ND1-CE2 3.3Å; H398-F437 VanDerWaalsContact ND1-CE2 3.3Å; H398-F437 WeakPolarHBondContact ND1-CE2 3.25Å; H398-F437 AromaticContact ND1-CZ 3.41Å; H398-F437 WeakPolarHBondContact ND1-CZ 3.33Å; H398-F437 AromaticContact NE2-CZ 3.74Å; F437-W452 PolarHBondContact O-NE1 3.06Å; F437-W470 HydrophobicContact CB-CD2 4.14Å; F437-W470 HydrophobicContact CB-CE3 3.92Å; F437-W470 HydrophobicContact CB-CH2 4.44Å; F437-W470 HydrophobicContact CB-CZ3 4.08Å; F437-W470 HydrophobicContact CD2-CB 4.17Å; F437-W470 HydrophobicContact CD2-CD2 4.4Å; F437-W470 HydrophobicContact CD2-CE3 4.19Å; F437-W470 HydrophobicContact CD2-CG 4.43Å; F437-W470 HydrophobicContact CG-CE3 4.4Å; F437-S471 VanDerWaalsContact CE2-O 3.27Å; F437-S471 WeakPolarHBondContact CE2-O 3.3Å; F437-D472 WeakPolarHBondContact CZ-O 3.04Å; F437-G474 VanDerWaalsContact CD2-CA 3.47Å; F437-G474 VanDerWaalsContact CE2-CA 3.4Å
438	L	91.5	Very high	88.4	Confident	7 Å²	7	29.8 Å²	29.8	4%	0.037	16%	0.161	C	C	.	.	S	Bend	trans	-121.1	156.5	171.2	-60.6	-176.7	0	0	0	110.7	G440 F449 W452 I458 W470 Y490 F514	L438-G440 PolarHBondContact O-N 3.11Å; L438-F449 HydrophobicContact CB-CB 4.41Å; L438-F449 HydrophobicContact CB-CD1 3.96Å; L438-F449 HydrophobicContact CD1-CB 3.96Å; L438-F449 HydrophobicContact CD1-CD1 4.48Å; L438-F449 HydrophobicContact CD1-CG 4.29Å; L438-W452 VanDerWaalsContact C-NE1 3.3Å; L438-I458 HydrophobicContact CD1-CB 4.47Å; L438-I458 HydrophobicContact CD1-CD1 3.6Å; L438-I458 HydrophobicContact CD1-CG2 4.28Å; L438-I458 HydrophobicContact CD2-CD1 3.37Å; L438-I458 HydrophobicContact CG-CD1 4.11Å; L438-W470 HydrophobicContact CB-CH2 4.32Å; L438-W470 HydrophobicContact CB-CZ2 3.9Å; L438-W470 HydrophobicContact CD1-CH2 4.13Å; L438-W470 HydrophobicContact CD1-CZ2 4.42Å; L438-W470 HydrophobicContact CG-CH2 4.05Å; L438-W470 HydrophobicContact CG-CZ2 4.16Å; L438-Y490 HydrophobicContact CD1-CD2 4.36Å; L438-Y490 HydrophobicContact CD1-CE2 3.6Å; L438-Y490 HydrophobicContact CG-CE2 4.41Å; L438-F514 HydrophobicContact CD1-CZ 4.18Å
439	L	92.4	Very high	89	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	103.4	174.1	175.6	57.1	0	0	0	109.2	V395 A404 V412 I414 F424 V441 Y450 W452	V395-L439 HydrophobicContact CG2-CD1 4.28Å; A404-L439 HydrophobicContact CB-CD1 3.69Å; A404-L439 HydrophobicContact CB-CD2 4.2Å; V412-L439 HydrophobicContact CG1-CD2 4.17Å; I414-L439 HydrophobicContact CD1-CD2 3.79Å; I414-L439 HydrophobicContact CG1-CD2 4.13Å; F424-L439 HydrophobicContact CE1-CD2 3.93Å; F424-L439 HydrophobicContact CZ-CD2 3.98Å; L439-V441 HydrophobicContact CG-CG2 4.28Å; L439-Y450 PolarHBondContact N-O 3.17Å; L439-Y450 PolarHBondContact O-N 3.07Å; L439-W452 HydrophobicContact CB-CD2 4.16Å; L439-W452 HydrophobicContact CB-CH2 4.4Å; L439-W452 HydrophobicContact CB-CZ2 4.02Å; L439-W452 HydrophobicContact CD1-CH2 3.94Å; L439-W452 HydrophobicContact CD1-CZ2 4.16Å; L439-W452 HydrophobicContact CD1-CZ3 4.44Å
440	G	92.9	Very high	89.3	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	129.7	173.6	0	0	0	0	0	111	I433 Y434 L438	I433-G440 CarbonylContact C-O 3.57Å; I433-G440 WeakPolarHBondContact CA-O 3.48Å; Y434-G440 PolarHBondContact N-O 3.39Å; Y434-G440 PolarHBondContact O-N 3.09Å; L438-G440 PolarHBondContact O-N 3.11Å
441	V	92.1	Very high	89.6	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	116.8	174.8	-177.9	0	0	0	0	108.9	P426 A430 I433 L439 A448 Y450	P426-V441 HydrophobicContact CB-CG1 4.2Å; P426-V441 HydrophobicContact CG-CG1 3.96Å; P426-V441 HydrophobicContact CG-CG2 4.49Å; A430-V441 HydrophobicContact CB-CG1 3.68Å; I433-V441 HydrophobicContact CG2-CG2 4.33Å; L439-V441 HydrophobicContact CG-CG2 4.28Å; V441-A448 PolarHBondContact N-O 3.35Å; V441-A448 PolarHBondContact O-N 2.92Å; V441-Y450 HydrophobicContact CB-CD2 4.25Å; V441-Y450 HydrophobicContact CB-CE2 4.08Å; V441-Y450 HydrophobicContact CG2-CD2 3.73Å; V441-Y450 HydrophobicContact CG2-CE2 3.93Å
442	R	91.6	Very high	89.7	Confident	63 Å²	63	22.5 Å²	22.5	24%	0.238	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130	171.1	-177.1	-179.8	67.3	-154	-5.9	109.9	E431 G432 Y434 P465	E431-R442 PolarHBondContact N-O 2.84Å; G432-R442 PolarHBondContact N-O 2.77Å; G432-R442 PolarHBondContact O-N 2.9Å; Y434-R442 HydrophobicContact CE2-CB 4.12Å; Y434-R442 PolarHBondContact OH-NH1 3.15Å; R442-P465 HydrophobicContact CB-CG 4.45Å; R442-P465 WeakPolarHBondContact CD-O 3.35Å; R442-P465 HydrophobicContact CG-CG 4.47Å; R442-P465 PolarHBondContact NH1-O 3.03Å
443	S	89	Confident	89.6	Confident	9 Å²	9	28 Å²	28	6%	0.063	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	173.9	168.7	72.2	0	0	0	0	109.8	N445 G446	S443-N445 PolarHBondContact O-N 3.04Å; S443-N445 PolarHBondContact OG-N 2.98Å; S443-G446 PolarHBondContact N-O 3.32Å; S443-G446 PolarHBondContact O-N 3.26Å; S443-G446 PolarHBondContact OG-N 3.43Å; S443-G446 PolarHBondContact OG-O 3.22Å
444	V	84.1	Confident	89.1	Confident	82 Å²	82	31.7 Å²	31.7	50%	0.497	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-35.7	174.4	-177.6	0	0	0	0	111.7	E431 Q464	E431-V444 HydrophobicContact CG-CG2 4.42Å; V444-Q464 PolarHBondContact O-NE2 3.47Å
445	N	80.1	Confident	88.6	Confident	102 Å²	102	31.8 Å²	31.8	55%	0.545	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1.5	-175.1	-62.5	2.4	0	0	0	113.6	S443	S443-N445 PolarHBondContact O-N 3.04Å; S443-N445 PolarHBondContact OG-N 2.98Å
446	G	85.9	Confident	88.5	Confident	4 Å²	4	35.5 Å²	35.5	4%	0.041	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.3	-165.2	-177.5	0	0	0	0	0	113.9	S443 I463	S443-G446 PolarHBondContact N-O 3.32Å; S443-G446 PolarHBondContact O-N 3.26Å; S443-G446 PolarHBondContact OG-N 3.43Å; S443-G446 PolarHBondContact OG-O 3.22Å; G446-I463 WeakPolarHBondContact CA-O 3.47Å
447	L	90.9	Very high	88.4	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133	-175.7	173	65	0	0	0	111.5	Y434 F449 R460 I461 I463 P465 I468 I479	Y434-L447 HydrophobicContact CD2-CD1 4.41Å; L447-F449 HydrophobicContact CD2-CD2 4.41Å; L447-F449 HydrophobicContact CD2-CE1 4.36Å; L447-F449 HydrophobicContact CD2-CE2 3.73Å; L447-F449 HydrophobicContact CD2-CZ 3.71Å; L447-F449 HydrophobicContact CG-CE2 4.38Å; L447-F449 HydrophobicContact CG-CZ 4.48Å; L447-R460 CarbonylContact O-C 3.59Å; L447-R460 VanDerWaalsContact O-CA 3.32Å; L447-R460 WeakPolarHBondContact O-CA 3.25Å; L447-I461 PolarHBondContact N-O 3.15Å; L447-I461 PolarHBondContact O-N 3.3Å; L447-I463 PolarHBondContact N-O 2.89Å; L447-P465 HydrophobicContact CB-CG 4.19Å; L447-P465 HydrophobicContact CD1-CG 4.22Å; L447-P465 HydrophobicContact CD2-CG 4.24Å; L447-P465 HydrophobicContact CG-CG 4.45Å; L447-I468 HydrophobicContact CD1-CD1 3.73Å; L447-I468 HydrophobicContact CD2-CD1 3.54Å; L447-I468 HydrophobicContact CG-CD1 4.29Å; L447-I479 HydrophobicContact CD2-CD1 3.77Å
448	A	91.1	Very high	88.3	Confident	6 Å²	6	34.2 Å²	34.2	5%	0.05	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.2	168.7	0	0	0	0	0	110.3	V441 Y450 L457 R460	V441-A448 PolarHBondContact N-O 3.35Å; V441-A448 PolarHBondContact O-N 2.92Å; A448-Y450 HydrophobicContact CB-CD2 4.3Å; A448-Y450 HydrophobicContact CB-CE2 3.62Å; A448-L457 HydrophobicContact CB-CD1 3.87Å; A448-R460 HydrophobicContact CB-CG 4.12Å
449	F	92.4	Very high	88.2	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.7	170.8	-75.6	-64.3	0	0	0	110.8	L438 L447 I458 R459 I461 I468 W470 I479 F514	L438-F449 HydrophobicContact CB-CB 4.41Å; L438-F449 HydrophobicContact CB-CD1 3.96Å; L438-F449 HydrophobicContact CD1-CB 3.96Å; L438-F449 HydrophobicContact CD1-CD1 4.48Å; L438-F449 HydrophobicContact CD1-CG 4.29Å; L447-F449 HydrophobicContact CD2-CD2 4.41Å; L447-F449 HydrophobicContact CD2-CE1 4.36Å; L447-F449 HydrophobicContact CD2-CE2 3.73Å; L447-F449 HydrophobicContact CD2-CZ 3.71Å; L447-F449 HydrophobicContact CG-CE2 4.38Å; L447-F449 HydrophobicContact CG-CZ 4.48Å; F449-I458 PolarHBondContact O-N 2.83Å; F449-R459 PolarHBondContact N-O 2.77Å; F449-I461 HydrophobicContact CD2-CD1 4.21Å; F449-I461 HydrophobicContact CE2-CD1 3.86Å; F449-I468 HydrophobicContact CE1-CD1 4.19Å; F449-I468 HydrophobicContact CZ-CD1 4.16Å; F449-W470 HydrophobicContact CD1-CZ2 4.21Å; F449-W470 AromaticContact CE1-CZ2 3.71Å; F449-W470 HydrophobicContact CE1-CZ2 3.71Å; F449-W470 HydrophobicContact CZ-CZ2 4.08Å; F449-I479 HydrophobicContact CE2-CD1 4.31Å; F449-I479 HydrophobicContact CZ-CD1 4.37Å; F449-F514 HydrophobicContact CD2-CE1 4.45Å; F449-F514 AromaticContact CD2-CE2 3.63Å; F449-F514 HydrophobicContact CD2-CE2 3.63Å; F449-F514 AromaticContact CD2-CZ 3.5Å; F449-F514 HydrophobicContact CD2-CZ 3.5Å; F449-F514 HydrophobicContact CE2-CE1 4.16Å; F449-F514 HydrophobicContact CE2-CE2 4.1Å; F449-F514 AromaticContact CE2-CZ 3.63Å; F449-F514 HydrophobicContact CE2-CZ 3.63Å; F449-F514 HydrophobicContact CG-CE2 4.37Å; F449-F514 HydrophobicContact CG-CZ 4.16Å; F449-F514 HydrophobicContact CZ-CZ 4.39Å
450	Y	90.4	Very high	88	Confident	12 Å²	12	38.1 Å²	38.1	5%	0.047	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	150	177.2	-66.8	-88.9	0	0	0	111.7	F424 P426 L439 V441 A448 E456 L457	F424-Y450 AromaticContact CE2-CD1 3.96Å; F424-Y450 HydrophobicContact CE2-CD1 3.96Å; F424-Y450 HydrophobicContact CE2-CD2 4.22Å; F424-Y450 HydrophobicContact CE2-CE1 4.01Å; F424-Y450 HydrophobicContact CE2-CE2 4.24Å; F424-Y450 HydrophobicContact CE2-CG 4.07Å; F424-Y450 HydrophobicContact CZ-CD1 4.45Å; F424-Y450 HydrophobicContact CZ-CD2 4.29Å; F424-Y450 HydrophobicContact CZ-CG 4.16Å; P426-Y450 HydrophobicContact CB-CE2 4.35Å; L439-Y450 PolarHBondContact N-O 3.17Å; L439-Y450 PolarHBondContact O-N 3.07Å; V441-Y450 HydrophobicContact CB-CD2 4.25Å; V441-Y450 HydrophobicContact CB-CE2 4.08Å; V441-Y450 HydrophobicContact CG2-CD2 3.73Å; V441-Y450 HydrophobicContact CG2-CE2 3.93Å; A448-Y450 HydrophobicContact CB-CD2 4.3Å; A448-Y450 HydrophobicContact CB-CE2 3.62Å; Y450-E456 VanDerWaalsContact CA-O 3.27Å; Y450-E456 WeakPolarHBondContact CA-O 3.32Å; Y450-L457 HydrophobicContact CD1-CB 4.28Å; Y450-L457 HydrophobicContact CE1-CB 3.98Å; Y450-L457 HydrophobicContact CE1-CD1 4.13Å
451	D	89.4	Confident	87.9	Confident	32 Å²	32	39.3 Å²	39.3	17%	0.171	20%	0.196	C	C	.	.			trans	-72.2	140.7	169.4	174.9	32.2	0	0	0	112.2	E453 N454 T455 E456 I458	D451-E453 PolarHBondContact OD1-N 2.74Å; D451-E453 VanDerWaalsContact OD1-N 3.12Å; D451-E453 PolarHBondContact OD2-N 3.03Å; D451-N454 VanDerWaalsContact OD2-CB 3.3Å; D451-N454 WeakPolarHBondContact OD2-CB 3.25Å; D451-N454 PolarHBondContact OD2-N 3.17Å; D451-N454 PolarHBondContact OD2-ND2 3.24Å; D451-T455 WeakPolarHBondContact O-CA 3.47Å; D451-T455 PolarHBondContact O-N 2.79Å; D451-T455 VanDerWaalsContact O-N 3.08Å; D451-E456 PolarHBondContact N-O 3.03Å; D451-I458 HydrophobicContact CB-CD1 4.07Å
452	W	88.2	Confident	87.6	Confident	16 Å²	16	47.9 Å²	47.9	6%	0.061	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-28.3	176	-71.5	102.7	0	0	0	113.6	V395 A397 A404 I414 K421 G436 F437 L438 L439	V395-W452 HydrophobicContact CG2-CH2 4.25Å; A397-W452 HydrophobicContact CB-CD2 3.72Å; A397-W452 HydrophobicContact CB-CE3 3.91Å; A397-W452 HydrophobicContact CB-CG 4.36Å; A397-W452 HydrophobicContact CB-CH2 3.83Å; A397-W452 HydrophobicContact CB-CZ2 3.63Å; A397-W452 HydrophobicContact CB-CZ3 3.95Å; A404-W452 HydrophobicContact CB-CH2 3.75Å; A404-W452 HydrophobicContact CB-CZ3 3.62Å; I414-W452 HydrophobicContact CD1-CE3 4.26Å; I414-W452 HydrophobicContact CG2-CE3 4.07Å; I414-W452 HydrophobicContact CG2-CZ3 4.38Å; K421-W452 PolarHBondContact NZ-O 3.46Å; G436-W452 PolarHBondContact O-NE1 3.28Å; G436-W452 VanDerWaalsContact O-NE1 3.17Å; F437-W452 PolarHBondContact O-NE1 3.06Å; L438-W452 VanDerWaalsContact C-NE1 3.3Å; L439-W452 HydrophobicContact CB-CD2 4.16Å; L439-W452 HydrophobicContact CB-CH2 4.4Å; L439-W452 HydrophobicContact CB-CZ2 4.02Å; L439-W452 HydrophobicContact CD1-CH2 3.94Å; L439-W452 HydrophobicContact CD1-CZ2 4.16Å; L439-W452 HydrophobicContact CD1-CZ3 4.44Å
453	E	84.9	Confident	87.4	Confident	116 Å²	116	46.6 Å²	46.6	54%	0.542	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-57.5	-179.3	-60.9	-122.8	117.1	0	0	111.7	K422 D451	K422-E453 PolarHBondContact NZ-O 2.82Å; D451-E453 PolarHBondContact OD1-N 2.74Å; D451-E453 VanDerWaalsContact OD1-N 3.12Å; D451-E453 PolarHBondContact OD2-N 3.03Å
454	N	82.5	Confident	87.4	Confident	86 Å²	86	52.1 Å²	52.1	46%	0.46	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-17.2	-171.3	-64.7	-49.7	0	0	0	113.9	K422 D451 E456	K422-N454 VanDerWaalsContact NZ-CA 3.25Å; K422-N454 PolarHBondContact NZ-O 2.64Å; D451-N454 VanDerWaalsContact OD2-CB 3.3Å; D451-N454 WeakPolarHBondContact OD2-CB 3.25Å; D451-N454 PolarHBondContact OD2-N 3.17Å; D451-N454 PolarHBondContact OD2-ND2 3.24Å; N454-E456 HydrophobicContact CB-CG 3.97Å; N454-E456 PolarHBondContact O-N 3.01Å
455	T	83.4	Confident	87.7	Confident	30 Å²	30	48.3 Å²	48.3	18%	0.184	24%	0.235	C	C	.	.			trans	56.4	28.3	-172.6	53.3	0	0	0	0	113.4	I414 K422 F424 D451	I414-T455 HydrophobicContact CD1-CG2 3.49Å; I414-T455 VanDerWaalsContact CD1-CG2 3.49Å; K422-T455 HydrophobicContact CD-CG2 3.87Å; K422-T455 WeakPolarHBondContact CD-OG1 3.14Å; F424-T455 HydrophobicContact CD1-CG2 3.88Å; F424-T455 HydrophobicContact CE1-CG2 3.95Å; F424-T455 HydrophobicContact CG-CG2 4.41Å; D451-T455 WeakPolarHBondContact O-CA 3.47Å; D451-T455 PolarHBondContact O-N 2.79Å; D451-T455 VanDerWaalsContact O-N 3.08Å
456	E	85.6	Confident	88.1	Confident	99 Å²	99	46.5 Å²	46.5	46%	0.463	22%	0.222	S	C	.	.			trans	-81.7	149.8	172.5	-70.2	176.1	-178.3	0	0	110.4	Y450 D451 N454 Q499	Y450-E456 VanDerWaalsContact CA-O 3.27Å; Y450-E456 WeakPolarHBondContact CA-O 3.32Å; D451-E456 PolarHBondContact N-O 3.03Å; N454-E456 HydrophobicContact CB-CG 3.97Å; N454-E456 PolarHBondContact O-N 3.01Å; E456-Q499 PolarHBondContact OE2-NE2 2.95Å
457	L	87.4	Confident	88.3	Confident	44 Å²	44	48.5 Å²	48.5	23%	0.23	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.6	176.5	175.5	67.6	0	0	0	109.6	A448 Y450 R460	A448-L457 HydrophobicContact CB-CD1 3.87Å; Y450-L457 HydrophobicContact CD1-CB 4.28Å; Y450-L457 HydrophobicContact CE1-CB 3.98Å; Y450-L457 HydrophobicContact CE1-CD1 4.13Å; L457-R460 HydrophobicContact CD1-CG 3.86Å; L457-R460 HydrophobicContact CD2-CG 4.04Å; L457-R460 HydrophobicContact CG-CG 4.48Å
458	I	87.8	Confident	88.5	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.036	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-52.4	177.9	-70	165.6	0	0	0	110.4	L438 F449 D451 I495 G509 I510 A513	L438-I458 HydrophobicContact CD1-CB 4.47Å; L438-I458 HydrophobicContact CD1-CD1 3.6Å; L438-I458 HydrophobicContact CD1-CG2 4.28Å; L438-I458 HydrophobicContact CD2-CD1 3.37Å; L438-I458 HydrophobicContact CG-CD1 4.11Å; F449-I458 PolarHBondContact O-N 2.83Å; D451-I458 HydrophobicContact CB-CD1 4.07Å; I458-I495 HydrophobicContact CG2-CD1 3.7Å; I458-I495 HydrophobicContact CG2-CG1 4.27Å; I458-G509 CarbonylContact O-C 3.49Å; I458-G509 WeakPolarHBondContact O-CA 3.46Å; I458-I510 PolarHBondContact O-N 3.02Å; I458-A513 HydrophobicContact CG2-CB 3.99Å
459	R	89.2	Confident	88.6	Confident	44 Å²	44	50.9 Å²	50.9	17%	0.166	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	140.6	178.8	-173.3	46.6	163.9	175.1	-4.7	110.9	F449 I461 D508 I510 E511 A513 F514	F449-R459 PolarHBondContact N-O 2.77Å; R459-I461 HydrophobicContact CG-CG1 4.27Å; R459-D508 CarbonylContact C-O 3.54Å; R459-D508 WeakPolarHBondContact CA-O 3.45Å; R459-D508 WeakPolarHBondContact CD-O 3.43Å; R459-D508 PolarHBondContact NH1-O 3.22Å; R459-I510 WeakPolarHBondContact CD-O 3.49Å; R459-E511 IonicContact CZ-OE1 3.65Å; R459-E511 IonicContact NH1-OE1 3.81Å; R459-E511 PolarHBondContact NH1-OE1 2.96Å; R459-E511 IonicContact NH2-OE1 3.64Å; R459-E511 PolarHBondContact NH2-OE1 2.89Å; R459-A513 HydrophobicContact CB-CB 4.35Å; R459-F514 HydrophobicContact CB-CD2 3.97Å; R459-F514 HydrophobicContact CB-CE2 4.06Å; R459-F514 HydrophobicContact CG-CD2 4.08Å
460	R	89.3	Confident	88.6	Confident	45 Å²	45	52.2 Å²	52.2	17%	0.17	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	148.6	159.6	-55.6	-161.4	-168.9	101.5	2.6	110.7	D427 L447 A448 L457 E507 D508	D427-R460 IonicContact OD2-CZ 3.99Å; D427-R460 IonicContact OD2-NH2 3.06Å; D427-R460 PolarHBondContact OD2-NH2 3.46Å; L447-R460 CarbonylContact O-C 3.59Å; L447-R460 VanDerWaalsContact O-CA 3.32Å; L447-R460 WeakPolarHBondContact O-CA 3.25Å; A448-R460 HydrophobicContact CB-CG 4.12Å; L457-R460 HydrophobicContact CD1-CG 3.86Å; L457-R460 HydrophobicContact CD2-CG 4.04Å; L457-R460 HydrophobicContact CG-CG 4.48Å; R460-E507 PolarHBondContact NH1-O 2.83Å; R460-D508 HydrophobicContact CB-CB 4.09Å; R460-D508 WeakPolarHBondContact CD-OD1 3.5Å; R460-D508 HydrophobicContact CG-CB 4.45Å; R460-D508 IonicContact CZ-OD1 2.83Å; R460-D508 PolarHBondContact N-O 2.65Å; R460-D508 IonicContact NE-OD1 3.24Å; R460-D508 IonicContact NH1-OD1 3.38Å; R460-D508 PolarHBondContact NH1-OD1 3.1Å
461	I	89.8	Confident	88.7	Confident	26 Å²	26	51.7 Å²	51.7	13%	0.133	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	123.8	178	-54.9	-179	0	0	0	106.9	L447 F449 R459 I463 I479 L488	L447-I461 PolarHBondContact N-O 3.15Å; L447-I461 PolarHBondContact O-N 3.3Å; F449-I461 HydrophobicContact CD2-CD1 4.21Å; F449-I461 HydrophobicContact CE2-CD1 3.86Å; R459-I461 HydrophobicContact CG-CG1 4.27Å; I461-I463 HydrophobicContact CG2-CB 4.04Å; I461-I463 HydrophobicContact CG2-CD1 3.79Å; I461-I463 HydrophobicContact CG2-CG1 3.85Å; I461-I463 PolarHBondContact O-N 3.43Å; I461-I479 HydrophobicContact CD1-CD1 4.1Å; I461-L488 HydrophobicContact CD1-CD1 4.49Å
462	E	87.4	Confident	88.5	Confident	182 Å²	182	56.2 Å²	56.2	85%	0.85	27%	0.268	S	S	*	.	S	Bend	trans	-75.2	38	-176.8	-58.5	-168.2	133.9	0	0	113.5
463	I	87.1	Confident	88.3	Confident	36 Å²	36	58.8 Å²	58.8	19%	0.185	29%	0.288	C	S	.	.			trans	-113.3	141	178.1	-64.9	173.9	0	0	0	108.3	G446 L447 I461 P465 I479 T481 F486	G446-I463 WeakPolarHBondContact CA-O 3.47Å; L447-I463 PolarHBondContact N-O 2.89Å; I461-I463 HydrophobicContact CG2-CB 4.04Å; I461-I463 HydrophobicContact CG2-CD1 3.79Å; I461-I463 HydrophobicContact CG2-CG1 3.85Å; I461-I463 PolarHBondContact O-N 3.43Å; I463-P465 WeakPolarHBondContact O-CD 3.48Å; I463-I479 HydrophobicContact CG2-CG2 4.09Å; I463-T481 HydrophobicContact CG2-CG2 3.5Å; I463-F486 HydrophobicContact CD1-CD1 4.26Å; I463-F486 HydrophobicContact CD1-CD2 3.91Å; I463-F486 HydrophobicContact CD1-CE1 4.34Å; I463-F486 HydrophobicContact CD1-CE2 4.03Å; I463-F486 HydrophobicContact CD1-CG 4.05Å; I463-F486 HydrophobicContact CD1-CZ 4.24Å; I463-F486 HydrophobicContact CG2-CE2 4.48Å
464	Q	88.6	Confident	88.3	Confident	124 Å²	124	53.4 Å²	53.4	58%	0.579	26%	0.264	S	S	*	.			trans	-96.7	94.4	172.9	-69.7	-173.8	-7.7	0	0	110.3	V444	V444-Q464 PolarHBondContact O-NE2 3.47Å
465	P	90.6	Very high	88.6	Confident	2 Å²	2	53 Å²	53	1%	0.013	26%	0.259	C	S	.	.			trans	-70.3	143	177.9	27.6	-36.7	0	0	0	112.1	Y434 R442 L447 I463 I468 I479	Y434-P465 HydrophobicContact CD2-CG 4.45Å; Y434-P465 HydrophobicContact CE2-CB 4.11Å; Y434-P465 HydrophobicContact CE2-CG 3.62Å; Y434-P465 PolarHBondContact OH-O 2.95Å; R442-P465 HydrophobicContact CB-CG 4.45Å; R442-P465 WeakPolarHBondContact CD-O 3.35Å; R442-P465 HydrophobicContact CG-CG 4.47Å; R442-P465 PolarHBondContact NH1-O 3.03Å; L447-P465 HydrophobicContact CB-CG 4.19Å; L447-P465 HydrophobicContact CD1-CG 4.22Å; L447-P465 HydrophobicContact CD2-CG 4.24Å; L447-P465 HydrophobicContact CG-CG 4.45Å; I463-P465 WeakPolarHBondContact O-CD 3.48Å; P465-I468 HydrophobicContact CB-CD1 4.31Å; P465-I468 HydrophobicContact CB-CG1 3.97Å; P465-I468 HydrophobicContact CG-CD1 4.27Å; P465-I468 HydrophobicContact CG-CG1 4.44Å; P465-I479 HydrophobicContact CB-CG2 3.9Å
466	K	89	Confident	89	Confident	64 Å²	64	52.2 Å²	52.2	28%	0.278	25%	0.254	S	S	.	.	S	Bend	trans	-89	-38.9	160.1	-175	-167.5	166.9	-147.7	0	111.3	Y434 A480	Y434-K466 VanDerWaalsContact OH-C 3.31Å; Y434-K466 PolarHBondContact OH-O 3.49Å; Y434-K466 VanDerWaalsContact OH-O 3.07Å; K466-A480 PolarHBondContact N-O 2.77Å
467	H	90	Very high	89.4	Confident	46 Å²	46	47.5 Å²	47.5	21%	0.213	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	155.4	176.7	-60.7	-69.5	0	0	0	110.9	E303 F469 A480 K525	E303-H467 IonicContact OE1-NE2 3.51Å; H467-F469 HydrophobicContact CB-CD2 4.47Å; H467-F469 HydrophobicContact CB-CE1 4.44Å; H467-F469 HydrophobicContact CB-CE2 3.61Å; H467-F469 HydrophobicContact CB-CZ 3.59Å; H467-A480 HydrophobicContact CB-CB 4.38Å; H467-A480 PolarHBondContact N-O 3.35Å; H467-A480 PolarHBondContact O-N 2.85Å; H467-K525 PolarHBondContact NE2-O 3.03Å
468	I	93.8	Very high	89.7	Confident	17 Å²	17	45.4 Å²	45.4	9%	0.087	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	130.9	173	-56.9	-177.4	0	0	0	108.2	Y434 L447 F449 P465 V477 C478	Y434-I468 HydrophobicContact CD1-CB 4.31Å; Y434-I468 HydrophobicContact CD1-CG1 4.18Å; Y434-I468 HydrophobicContact CD2-CD1 3.43Å; Y434-I468 VanDerWaalsContact CD2-CD1 3.43Å; Y434-I468 HydrophobicContact CD2-CG1 3.88Å; Y434-I468 HydrophobicContact CE2-CD1 4.04Å; Y434-I468 HydrophobicContact CE2-CG1 4.23Å; Y434-I468 HydrophobicContact CG-CB 4.13Å; Y434-I468 HydrophobicContact CG-CD1 3.71Å; Y434-I468 HydrophobicContact CG-CG1 3.83Å; L447-I468 HydrophobicContact CD1-CD1 3.73Å; L447-I468 HydrophobicContact CD2-CD1 3.54Å; L447-I468 HydrophobicContact CG-CD1 4.29Å; F449-I468 HydrophobicContact CE1-CD1 4.19Å; F449-I468 HydrophobicContact CZ-CD1 4.16Å; P465-I468 HydrophobicContact CB-CD1 4.31Å; P465-I468 HydrophobicContact CB-CG1 3.97Å; P465-I468 HydrophobicContact CG-CD1 4.27Å; P465-I468 HydrophobicContact CG-CG1 4.44Å; I468-V477 HydrophobicContact CG2-CG2 3.45Å; I468-V477 VanDerWaalsContact CG2-CG2 3.45Å; I468-C478 WeakPolarHBondContact CA-O 3.38Å
469	F	93.6	Very high	90	Very high	40 Å²	40	45 Å²	45	18%	0.175	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116.3	179.9	-52.9	-79.1	0	0	0	109.8	H467 V477 C478 A480 V524 G527 W529 F534	H467-F469 HydrophobicContact CB-CD2 4.47Å; H467-F469 HydrophobicContact CB-CE1 4.44Å; H467-F469 HydrophobicContact CB-CE2 3.61Å; H467-F469 HydrophobicContact CB-CZ 3.59Å; F469-V477 WeakPolarHBondContact O-CA 3.31Å; F469-C478 HydrophobicContact CB-CB 4.35Å; F469-C478 PolarHBondContact N-O 2.84Å; F469-C478 PolarHBondContact O-N 3.22Å; F469-A480 HydrophobicContact CE2-CB 4.33Å; F469-V524 HydrophobicContact CE2-CG1 3.99Å; F469-G527 WeakPolarHBondContact CD1-O 3.29Å; F469-G527 VanDerWaalsContact CE1-O 3.25Å; F469-G527 WeakPolarHBondContact CE1-O 3.27Å; F469-W529 PolarHBondContact O-NE1 2.94Å; F469-F534 HydrophobicContact CB-CE2 3.83Å; F469-F534 AromaticContact CD2-CE2 3.86Å; F469-F534 HydrophobicContact CD2-CE2 3.86Å; F469-F534 AromaticContact CD2-CZ 3.73Å; F469-F534 HydrophobicContact CD2-CZ 3.73Å; F469-F534 HydrophobicContact CE2-CZ 4.26Å; F469-F534 AromaticContact CG-CE2 3.97Å; F469-F534 HydrophobicContact CG-CE2 3.97Å; F469-F534 HydrophobicContact CG-CZ 4.31Å
470	W	93.3	Very high	90.2	Very high	28 Å²	28	43 Å²	43	11%	0.106	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	144.4	175	-72.1	88.7	0	0	0	111.3	G435 F437 L438 F449 V477 Y490 F514	G435-W470 VanDerWaalsContact O-CD1 3.28Å; G435-W470 PolarHBondContact O-NE1 3.28Å; F437-W470 HydrophobicContact CB-CD2 4.14Å; F437-W470 HydrophobicContact CB-CE3 3.92Å; F437-W470 HydrophobicContact CB-CH2 4.44Å; F437-W470 HydrophobicContact CB-CZ3 4.08Å; F437-W470 HydrophobicContact CD2-CB 4.17Å; F437-W470 HydrophobicContact CD2-CD2 4.4Å; F437-W470 HydrophobicContact CD2-CE3 4.19Å; F437-W470 HydrophobicContact CD2-CG 4.43Å; F437-W470 HydrophobicContact CG-CE3 4.4Å; L438-W470 HydrophobicContact CB-CH2 4.32Å; L438-W470 HydrophobicContact CB-CZ2 3.9Å; L438-W470 HydrophobicContact CD1-CH2 4.13Å; L438-W470 HydrophobicContact CD1-CZ2 4.42Å; L438-W470 HydrophobicContact CG-CH2 4.05Å; L438-W470 HydrophobicContact CG-CZ2 4.16Å; F449-W470 HydrophobicContact CD1-CZ2 4.21Å; F449-W470 AromaticContact CE1-CZ2 3.71Å; F449-W470 HydrophobicContact CE1-CZ2 3.71Å; F449-W470 HydrophobicContact CZ-CZ2 4.08Å; W470-V477 HydrophobicContact CD2-CB 4.01Å; W470-V477 HydrophobicContact CD2-CG2 3.8Å; W470-V477 HydrophobicContact CE3-CB 3.87Å; W470-V477 HydrophobicContact CE3-CG2 4.19Å; W470-V477 HydrophobicContact CG-CG2 4.1Å; W470-V477 HydrophobicContact CH2-CB 4.41Å; W470-V477 HydrophobicContact CZ2-CG2 4.25Å; W470-V477 HydrophobicContact CZ3-CB 4.09Å; W470-Y490 HydrophobicContact CH2-CD1 4.5Å; W470-Y490 HydrophobicContact CH2-CD2 4.37Å; W470-Y490 HydrophobicContact CH2-CG 4.2Å; W470-Y490 HydrophobicContact CZ3-CD1 4.09Å; W470-Y490 AromaticContact CZ3-CG 3.98Å; W470-Y490 HydrophobicContact CZ3-CG 3.98Å; W470-F514 HydrophobicContact CH2-CE1 4.08Å; W470-F514 HydrophobicContact CH2-CZ 4.12Å
471	S	91.8	Very high	90.3	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	21%	0.209	C	C	.	.			trans	-70.8	153.5	167.4	63.2	0	0	0	0	111.8	F437 S473 G474 L476	F437-S471 VanDerWaalsContact CE2-O 3.27Å; F437-S471 WeakPolarHBondContact CE2-O 3.3Å; S471-S473 PolarHBondContact O-N 2.97Å; S471-S473 PolarHBondContact OG-OG 3.27Å; S471-G474 PolarHBondContact O-N 3.46Å; S471-G474 PolarHBondContact OG-N 3.49Å; S471-L476 WeakPolarHBondContact CB-O 3.49Å; S471-L476 PolarHBondContact N-O 3.34Å; S471-L476 PolarHBondContact OG-N 2.86Å; S471-L476 PolarHBondContact OG-O 3.41Å
472	D	85.1	Confident	90.1	Very high	127 Å²	127	47.6 Å²	47.6	68%	0.679	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.8	179.8	-71.5	-27.5	0	0	0	114.2	F437	F437-D472 WeakPolarHBondContact CZ-O 3.04Å
473	S	85	Confident	90.2	Very high	70 Å²	70	46.4 Å²	46.4	49%	0.49	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-16.3	173.8	59.6	0	0	0	0	113.9	S471 E475	S471-S473 PolarHBondContact O-N 2.97Å; S471-S473 PolarHBondContact OG-OG 3.27Å; S473-E475 PolarHBondContact O-N 2.93Å; S473-E475 PolarHBondContact OG-N 3.1Å
474	G	84.4	Confident	90.4	Very high	4 Å²	4	45.3 Å²	45.3	4%	0.041	23%	0.226	C	C	.	.	S	Bend	trans	74.8	-5.3	-171.2	0	0	0	0	0	115.4	F437 S471 Y490	F437-G474 VanDerWaalsContact CD2-CA 3.47Å; F437-G474 VanDerWaalsContact CE2-CA 3.4Å; S471-G474 PolarHBondContact O-N 3.46Å; S471-G474 PolarHBondContact OG-N 3.49Å; G474-Y490 WeakPolarHBondContact O-CD1 3.37Å
475	E	88.5	Confident	90.6	Very high	76 Å²	76	39.4 Å²	39.4	36%	0.355	20%	0.198	S	C	.	.	S	Bend	trans	-71.8	-28	179.9	-76.9	-165	-117.6	0	0	113.5	S473 R489 Y490	S473-E475 PolarHBondContact O-N 2.93Å; S473-E475 PolarHBondContact OG-N 3.1Å; E475-R489 CarbonylContact O-C 3.59Å; E475-R489 VanDerWaalsContact O-CA 3.3Å; E475-R489 WeakPolarHBondContact O-CA 3.46Å; E475-R489 VanDerWaalsContact O-CG 3.31Å; E475-R489 WeakPolarHBondContact O-CG 3.37Å; E475-R489 IonicContact OE2-CZ 2.61Å; E475-R489 IonicContact OE2-NE 3.96Å; E475-R489 PolarHBondContact OE2-NE 3.41Å; E475-R489 IonicContact OE2-NH2 2.88Å; E475-R489 PolarHBondContact OE2-NH2 2.89Å; E475-Y490 PolarHBondContact O-N 3.34Å
476	L	91.4	Very high	90.8	Very high	14 Å²	14	41 Å²	41	7%	0.073	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.1	-176.9	-60.3	173.6	0	0	0	111.4	S471 R489 L517 W529 D532	S471-L476 WeakPolarHBondContact CB-O 3.49Å; S471-L476 PolarHBondContact N-O 3.34Å; S471-L476 PolarHBondContact OG-N 2.86Å; S471-L476 PolarHBondContact OG-O 3.41Å; L476-R489 HydrophobicContact CD2-CB 4.15Å; L476-R489 HydrophobicContact CD2-CG 4.11Å; L476-L517 HydrophobicContact CD2-CD1 3.6Å; L476-W529 HydrophobicContact CB-CE3 4.46Å; L476-W529 HydrophobicContact CB-CH2 3.67Å; L476-W529 HydrophobicContact CB-CZ2 3.98Å; L476-W529 HydrophobicContact CB-CZ3 3.93Å; L476-W529 HydrophobicContact CD1-CE3 4.33Å; L476-W529 HydrophobicContact CD1-CH2 4.01Å; L476-W529 HydrophobicContact CD1-CZ3 3.6Å; L476-W529 HydrophobicContact CG-CH2 4.42Å; L476-W529 HydrophobicContact CG-CZ3 4.41Å; L476-D532 HydrophobicContact CD1-CB 4.07Å
477	V	93.7	Very high	91	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.9	172.7	66.9	0	0	0	0	110.6	I468 F469 W470 L488 F514	I468-V477 HydrophobicContact CG2-CG2 3.45Å; I468-V477 VanDerWaalsContact CG2-CG2 3.45Å; F469-V477 WeakPolarHBondContact O-CA 3.31Å; W470-V477 HydrophobicContact CD2-CB 4.01Å; W470-V477 HydrophobicContact CD2-CG2 3.8Å; W470-V477 HydrophobicContact CE3-CB 3.87Å; W470-V477 HydrophobicContact CE3-CG2 4.19Å; W470-V477 HydrophobicContact CG-CG2 4.1Å; W470-V477 HydrophobicContact CH2-CB 4.41Å; W470-V477 HydrophobicContact CZ2-CG2 4.25Å; W470-V477 HydrophobicContact CZ3-CB 4.09Å; V477-L488 HydrophobicContact CG1-CB 3.9Å; V477-L488 HydrophobicContact CG1-CD1 4.37Å; V477-L488 PolarHBondContact N-O 3.2Å; V477-L488 PolarHBondContact O-N 3.45Å; V477-F514 HydrophobicContact CG1-CD1 4.3Å; V477-F514 HydrophobicContact CG1-CE1 3.89Å
478	C	93.8	Very high	91.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.1	170.2	176.2	0	0	0	0	108.9	I468 F469 F486 I487 W529 F534	I468-C478 WeakPolarHBondContact CA-O 3.38Å; F469-C478 HydrophobicContact CB-CB 4.35Å; F469-C478 PolarHBondContact N-O 2.84Å; F469-C478 PolarHBondContact O-N 3.22Å; C478-F486 CarbonylContact C-O 3.48Å; C478-F486 WeakPolarHBondContact CA-O 3.34Å; C478-I487 HydrophobicContact CB-CG1 4.18Å; C478-W529 HydrophobicContact CB-CZ2 3.81Å; C478-F534 HydrophobicContact CB-CD1 4.4Å; C478-F534 HydrophobicContact CB-CD2 4.07Å; C478-F534 HydrophobicContact CB-CE1 4.2Å; C478-F534 HydrophobicContact CB-CE2 3.86Å; C478-F534 HydrophobicContact CB-CG 4.34Å; C478-F534 HydrophobicContact CB-CZ 3.92Å; C478-F534 WeakPolarHBondContact SG-CE1 3.45Å; C478-F534 VanDerWaalsContact SG-CZ 3.5Å
479	I	94.1	Very high	91	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	108	174.1	-58.5	-172	0	0	0	107.5	L447 F449 I461 I463 P465 F485 F486 L488	L447-I479 HydrophobicContact CD2-CD1 3.77Å; F449-I479 HydrophobicContact CE2-CD1 4.31Å; F449-I479 HydrophobicContact CZ-CD1 4.37Å; I461-I479 HydrophobicContact CD1-CD1 4.1Å; I463-I479 HydrophobicContact CG2-CG2 4.09Å; P465-I479 HydrophobicContact CB-CG2 3.9Å; I479-F485 WeakPolarHBondContact O-CA 3.42Å; I479-F486 PolarHBondContact N-O 3.25Å; I479-F486 PolarHBondContact O-N 3.41Å; I479-L488 HydrophobicContact CD1-CD1 3.38Å; I479-L488 HydrophobicContact CG1-CD1 3.81Å
480	A	93.4	Very high	90.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.1	179.1	0	0	0	0	0	110.6	K466 H467 F469 F485 V524	K466-A480 PolarHBondContact N-O 2.77Å; H467-A480 HydrophobicContact CB-CB 4.38Å; H467-A480 PolarHBondContact N-O 3.35Å; H467-A480 PolarHBondContact O-N 2.85Å; F469-A480 HydrophobicContact CE2-CB 4.33Å; A480-F485 HydrophobicContact CB-CB 4.31Å; A480-V524 HydrophobicContact CB-CB 3.93Å; A480-V524 HydrophobicContact CB-CG1 4.35Å; A480-V524 HydrophobicContact CB-CG2 4.43Å
481	T	92.1	Very high	90.7	Very high	19 Å²	19	40.1 Å²	40.1	12%	0.117	20%	0.199	C	C	.	.			trans	-96.7	-158.1	175.9	74.6	0	0	0	0	110.6	I463 E483 S484 F486	I463-T481 HydrophobicContact CG2-CG2 3.5Å; T481-E483 PolarHBondContact OG1-N 2.88Å; T481-S484 WeakPolarHBondContact CB-O 3.27Å; T481-S484 PolarHBondContact N-O 3.32Å; T481-S484 PolarHBondContact OG1-N 3.02Å; T481-S484 PolarHBondContact OG1-O 3.14Å; T481-F486 HydrophobicContact CG2-CD2 4.12Å; T481-F486 HydrophobicContact CG2-CE2 3.83Å
482	E	85.7	Confident	90.3	Very high	150 Å²	150	42.7 Å²	42.7	70%	0.701	22%	0.22	S	C	*	.	S	Bend	trans	-86.8	-17.6	170.9	-57.3	-153.9	137.8	0	0	113.3	I523	E482-I523 WeakPolarHBondContact O-CD1 3.29Å; E482-I523 WeakPolarHBondContact O-CG1 3.35Å
483	E	88.6	Confident	90.2	Very high	157 Å²	157	45 Å²	45	73%	0.734	23%	0.226	S	C	*	.	S	Bend	trans	-121.3	-47.6	-174.5	-62.6	-173.1	165.1	0	0	113.3	T481 E522 I523	T481-E483 PolarHBondContact OG1-N 2.88Å; E483-E522 CarbonylContact O-C 3.59Å; E483-I523 WeakPolarHBondContact O-CG1 3.43Å
484	S	92.1	Very high	90	Very high	13 Å²	13	45.4 Å²	45.4	9%	0.091	22%	0.219	C	C	.	.			trans	-126	168.1	-179.9	65.2	0	0	0	0	112.8	T481 F486 E519 I520	T481-S484 WeakPolarHBondContact CB-O 3.27Å; T481-S484 PolarHBondContact N-O 3.32Å; T481-S484 PolarHBondContact OG1-N 3.02Å; T481-S484 PolarHBondContact OG1-O 3.14Å; S484-F486 WeakPolarHBondContact OG-CE2 3.41Å; S484-E519 WeakPolarHBondContact CB-OE1 3.45Å; S484-E519 PolarHBondContact OG-OE1 2.59Å; S484-I520 CarbonylContact C-O 3.54Å; S484-I520 VanDerWaalsContact CA-O 3.25Å; S484-I520 WeakPolarHBondContact CA-O 3.41Å; S484-I520 VanDerWaalsContact CB-O 3.24Å; S484-I520 WeakPolarHBondContact CB-O 3.18Å
485	F	93.7	Very high	89.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.2	166	72.3	-89.5	0	0	0	112.3	I479 A480 I487 I520 E522 V524 F534 Y536	I479-F485 WeakPolarHBondContact O-CA 3.42Å; A480-F485 HydrophobicContact CB-CB 4.31Å; F485-I487 HydrophobicContact CD2-CD1 4.27Å; F485-I487 HydrophobicContact CD2-CG1 4.21Å; F485-I487 HydrophobicContact CE2-CD1 3.82Å; F485-I487 HydrophobicContact CE2-CG1 4.25Å; F485-I520 HydrophobicContact CD1-CB 3.95Å; F485-I520 HydrophobicContact CD1-CG2 4.1Å; F485-I520 HydrophobicContact CD2-CB 4.41Å; F485-I520 HydrophobicContact CD2-CD1 4.2Å; F485-I520 HydrophobicContact CE1-CB 3.57Å; F485-I520 HydrophobicContact CE1-CG1 4.41Å; F485-I520 HydrophobicContact CE1-CG2 3.4Å; F485-I520 VanDerWaalsContact CE1-CG2 3.4Å; F485-I520 HydrophobicContact CE2-CB 4.06Å; F485-I520 HydrophobicContact CE2-CD1 3.68Å; F485-I520 HydrophobicContact CE2-CG1 4.2Å; F485-I520 HydrophobicContact CG-CB 4.38Å; F485-I520 HydrophobicContact CZ-CB 3.63Å; F485-I520 HydrophobicContact CZ-CD1 3.99Å; F485-I520 HydrophobicContact CZ-CG1 3.98Å; F485-I520 HydrophobicContact CZ-CG2 3.72Å; F485-I520 PolarHBondContact N-O 3.27Å; F485-I520 PolarHBondContact O-N 2.87Å; F485-E522 WeakPolarHBondContact CD1-O 3.38Å; F485-E522 HydrophobicContact CE1-CB 4.31Å; F485-V524 HydrophobicContact CB-CG2 4.03Å; F485-V524 HydrophobicContact CD1-CG2 3.47Å; F485-V524 VanDerWaalsContact CD1-CG2 3.47Å; F485-V524 HydrophobicContact CE1-CG2 4Å; F485-V524 HydrophobicContact CG-CG2 3.84Å; F485-F534 HydrophobicContact CD2-CD1 4.44Å; F485-F534 HydrophobicContact CD2-CE1 4.29Å; F485-F534 AromaticContact CE2-CD1 3.95Å; F485-F534 HydrophobicContact CE2-CD1 3.95Å; F485-F534 HydrophobicContact CE2-CE1 4.16Å; F485-F534 HydrophobicContact CZ-CD1 4.43Å; F485-Y536 HydrophobicContact CE1-CE1 4.02Å; F485-Y536 HydrophobicContact CE1-CE2 4.03Å; F485-Y536 AromaticContact CE1-CZ 3.66Å; F485-Y536 HydrophobicContact CZ-CD1 4.3Å; F485-Y536 AromaticContact CZ-CE1 3.65Å; F485-Y536 HydrophobicContact CZ-CE1 3.65Å; F485-Y536 HydrophobicContact CZ-CE2 4.49Å; F485-Y536 AromaticContact CZ-CZ 3.76Å
486	F	93.4	Very high	89.3	Confident	34 Å²	34	44.3 Å²	44.3	15%	0.149	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.8	-179.2	-60.8	-94.9	0	0	0	109.1	I463 C478 I479 T481 S484 E519	I463-F486 HydrophobicContact CD1-CD1 4.26Å; I463-F486 HydrophobicContact CD1-CD2 3.91Å; I463-F486 HydrophobicContact CD1-CE1 4.34Å; I463-F486 HydrophobicContact CD1-CE2 4.03Å; I463-F486 HydrophobicContact CD1-CG 4.05Å; I463-F486 HydrophobicContact CD1-CZ 4.24Å; I463-F486 HydrophobicContact CG2-CE2 4.48Å; C478-F486 CarbonylContact C-O 3.48Å; C478-F486 WeakPolarHBondContact CA-O 3.34Å; I479-F486 PolarHBondContact N-O 3.25Å; I479-F486 PolarHBondContact O-N 3.41Å; T481-F486 HydrophobicContact CG2-CD2 4.12Å; T481-F486 HydrophobicContact CG2-CE2 3.83Å; S484-F486 WeakPolarHBondContact OG-CE2 3.41Å; F486-E519 HydrophobicContact CD1-CB 3.85Å; F486-E519 HydrophobicContact CD1-CG 3.91Å; F486-E519 HydrophobicContact CE1-CB 3.81Å; F486-E519 HydrophobicContact CE1-CG 3.52Å; F486-E519 WeakPolarHBondContact CE1-OE2 3.19Å; F486-E519 VanDerWaalsContact CZ-CD 3.4Å; F486-E519 HydrophobicContact CZ-CG 3.87Å; F486-E519 VanDerWaalsContact CZ-OE1 3.29Å; F486-E519 WeakPolarHBondContact CZ-OE1 3.48Å
487	I	93.3	Very high	88.7	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123	170.5	-72.9	172	0	0	0	108.8	C478 F485 L517 G518 W529 F534 Y546	C478-I487 HydrophobicContact CB-CG1 4.18Å; F485-I487 HydrophobicContact CD2-CD1 4.27Å; F485-I487 HydrophobicContact CD2-CG1 4.21Å; F485-I487 HydrophobicContact CE2-CD1 3.82Å; F485-I487 HydrophobicContact CE2-CG1 4.25Å; I487-L517 HydrophobicContact CG2-CB 4.3Å; I487-L517 HydrophobicContact CG2-CD1 4.25Å; I487-L517 PolarHBondContact O-N 3.12Å; I487-G518 PolarHBondContact N-O 2.81Å; I487-G518 PolarHBondContact O-N 3.22Å; I487-W529 HydrophobicContact CD1-CH2 4.01Å; I487-W529 HydrophobicContact CD1-CZ2 4.49Å; I487-W529 HydrophobicContact CG1-CH2 4.2Å; I487-W529 HydrophobicContact CG1-CZ2 4.38Å; I487-W529 HydrophobicContact CG2-CH2 3.91Å; I487-F534 HydrophobicContact CD1-CB 4.27Å; I487-Y546 HydrophobicContact CD1-CD1 3.27Å; I487-Y546 HydrophobicContact CD1-CE1 3.32Å; I487-Y546 HydrophobicContact CD1-CG 3.92Å
488	L	92.6	Very high	87.7	Confident	11 Å²	11	46.9 Å²	46.9	6%	0.058	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145.7	179.7	-62.8	127.5	0	0	0	109.9	I461 V477 I479 F514 E515 V516	I461-L488 HydrophobicContact CD1-CD1 4.49Å; V477-L488 HydrophobicContact CG1-CB 3.9Å; V477-L488 HydrophobicContact CG1-CD1 4.37Å; V477-L488 PolarHBondContact N-O 3.2Å; V477-L488 PolarHBondContact O-N 3.45Å; I479-L488 HydrophobicContact CD1-CD1 3.38Å; I479-L488 HydrophobicContact CG1-CD1 3.81Å; L488-F514 HydrophobicContact CB-CD1 4.14Å; L488-F514 HydrophobicContact CD2-CB 4.09Å; L488-E515 CarbonylContact C-O 3.6Å; L488-E515 WeakPolarHBondContact CA-O 3.22Å; L488-V516 HydrophobicContact CD2-CB 4.42Å; L488-V516 HydrophobicContact CD2-CG2 3.74Å
489	R	91.7	Very high	86.7	Confident	99 Å²	99	51 Å²	51	37%	0.374	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.7	166.3	-165.3	178.8	-171.9	-171.7	2.8	110	E475 L476 F514 E515 L517	E475-R489 CarbonylContact O-C 3.59Å; E475-R489 VanDerWaalsContact O-CA 3.3Å; E475-R489 WeakPolarHBondContact O-CA 3.46Å; E475-R489 VanDerWaalsContact O-CG 3.31Å; E475-R489 WeakPolarHBondContact O-CG 3.37Å; E475-R489 IonicContact OE2-CZ 2.61Å; E475-R489 IonicContact OE2-NE 3.96Å; E475-R489 PolarHBondContact OE2-NE 3.41Å; E475-R489 IonicContact OE2-NH2 2.88Å; E475-R489 PolarHBondContact OE2-NH2 2.89Å; L476-R489 HydrophobicContact CD2-CB 4.15Å; L476-R489 HydrophobicContact CD2-CG 4.11Å; R489-F514 CarbonylContact O-C 3.59Å; R489-F514 VanDerWaalsContact O-CA 3.29Å; R489-F514 WeakPolarHBondContact O-CA 3.47Å; R489-E515 HydrophobicContact CB-CB 4.36Å; R489-E515 PolarHBondContact N-O 3.14Å; R489-E515 PolarHBondContact O-N 3Å; R489-L517 HydrophobicContact CB-CD1 4.14Å; R489-L517 HydrophobicContact CB-CD2 4.3Å; R489-L517 HydrophobicContact CB-CG 4.18Å
490	Y	92	Very high	85.9	Confident	32 Å²	32	59.1 Å²	59.1	13%	0.125	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.9	177.6	175.9	-117.1	0	0	0	110.8	L438 W470 G474 E475 A492 I495 F514	L438-Y490 HydrophobicContact CD1-CD2 4.36Å; L438-Y490 HydrophobicContact CD1-CE2 3.6Å; L438-Y490 HydrophobicContact CG-CE2 4.41Å; W470-Y490 HydrophobicContact CH2-CD1 4.5Å; W470-Y490 HydrophobicContact CH2-CD2 4.37Å; W470-Y490 HydrophobicContact CH2-CG 4.2Å; W470-Y490 HydrophobicContact CZ3-CD1 4.09Å; W470-Y490 AromaticContact CZ3-CG 3.98Å; W470-Y490 HydrophobicContact CZ3-CG 3.98Å; G474-Y490 WeakPolarHBondContact O-CD1 3.37Å; E475-Y490 PolarHBondContact O-N 3.34Å; Y490-A492 HydrophobicContact CD1-CB 4.44Å; Y490-A492 HydrophobicContact CE1-CB 3.83Å; Y490-I495 HydrophobicContact CD2-CD1 4.14Å; Y490-I495 HydrophobicContact CE2-CD1 3.21Å; Y490-I495 WeakPolarHBondContact OH-CD1 3.23Å; Y490-F514 HydrophobicContact CD2-CD1 4.15Å; Y490-F514 AromaticContact CD2-CE1 3.58Å; Y490-F514 HydrophobicContact CD2-CE1 3.58Å; Y490-F514 HydrophobicContact CD2-CE2 4.07Å; Y490-F514 AromaticContact CD2-CZ 3.55Å; Y490-F514 HydrophobicContact CD2-CZ 3.55Å; Y490-F514 HydrophobicContact CE2-CE2 4.4Å; Y490-F514 HydrophobicContact CE2-CZ 4.09Å; Y490-F514 HydrophobicContact CG-CE1 4.14Å; Y490-F514 HydrophobicContact CG-CZ 4.46Å
491	M	87.9	Confident	85	Confident	34 Å²	34	64.4 Å²	64.4	17%	0.167	33%	0.329	C	S	.	.			trans	-116	75.1	-173.9	-64.2	-167.2	-178.2	0	0	112.5	E493 K494 I495 A513 E515	M491-E493 VanDerWaalsContact C-N 3.27Å; M491-E493 PolarHBondContact O-N 2.96Å; M491-K494 HydrophobicContact CB-CB 4.29Å; M491-K494 HydrophobicContact CB-CD 4.16Å; M491-K494 HydrophobicContact CB-CG 4.17Å; M491-K494 PolarHBondContact O-N 3.42Å; M491-K494 VanDerWaalsContact O-N 3.13Å; M491-K494 HydrophobicContact SD-CD 3.82Å; M491-K494 WeakPolarHBondContact SD-CE 3.36Å; M491-K494 PolarHBondContact SD-NZ 2.94Å; M491-I495 PolarHBondContact O-N 2.61Å; M491-A513 PolarHBondContact N-O 3.17Å; M491-E515 HydrophobicContact CE-CB 3.87Å; M491-E515 HydrophobicContact CE-CG 4.45Å; M491-E515 WeakPolarHBondContact CE-OE2 3.39Å
492	A	83.6	Confident	83.8	Confident	54 Å²	54	69.8 Å²	69.8	45%	0.446	36%	0.357	S	S	.	.	H	α-helix	trans	-52.5	-38.9	-179.7	0	0	0	0	0	114.2	Y490 K494 I495 A496	Y490-A492 HydrophobicContact CD1-CB 4.44Å; Y490-A492 HydrophobicContact CE1-CB 3.83Å; A492-K494 PolarHBondContact O-N 3.26Å; A492-I495 PolarHBondContact O-N 2.9Å; A492-A496 PolarHBondContact O-N 2.89Å; A492-A496 VanDerWaalsContact O-N 3.14Å
493	E	83.3	Confident	82.6	Confident	175 Å²	175	70 Å²	70	82%	0.818	36%	0.358	S	S	*	.	H	α-helix	trans	-62.8	-39.7	179.7	-61.5	-173.1	158.7	0	0	112.7	M491 A496 A497	M491-E493 VanDerWaalsContact C-N 3.27Å; M491-E493 PolarHBondContact O-N 2.96Å; E493-A496 PolarHBondContact O-N 3.41Å; E493-A497 PolarHBondContact O-N 2.77Å; E493-A497 VanDerWaalsContact O-N 3.1Å
494	K	80	Confident	81.1	Confident	79 Å²	79	64.9 Å²	64.9	34%	0.343	35%	0.348	S	S	.	.	H	α-helix	trans	-67.4	-37.8	177.6	-68.5	-170.3	-176	170.2	0	111.6	M491 A492 A497 S498 D512	M491-K494 HydrophobicContact CB-CB 4.29Å; M491-K494 HydrophobicContact CB-CD 4.16Å; M491-K494 HydrophobicContact CB-CG 4.17Å; M491-K494 PolarHBondContact O-N 3.42Å; M491-K494 VanDerWaalsContact O-N 3.13Å; M491-K494 HydrophobicContact SD-CD 3.82Å; M491-K494 WeakPolarHBondContact SD-CE 3.36Å; M491-K494 PolarHBondContact SD-NZ 2.94Å; A492-K494 PolarHBondContact O-N 3.26Å; K494-A497 PolarHBondContact O-N 2.84Å; K494-S498 PolarHBondContact O-N 2.92Å; K494-D512 HydrophobicContact CD-CB 3.76Å; K494-D512 WeakPolarHBondContact CD-O 3.35Å; K494-D512 WeakPolarHBondContact CE-OD1 3.5Å; K494-D512 IonicContact NZ-OD1 2.73Å; K494-D512 PolarHBondContact NZ-OD1 3.18Å
495	I	78.9	Confident	79.9	Confident	7 Å²	7	68.1 Å²	68.1	4%	0.036	37%	0.367	C	S	.	.	H	α-helix	trans	-63.9	-45.8	178.5	-66.4	159.5	0	0	0	110.5	I458 Y490 M491 A492 A497 S498 Q499 I510 A513	I458-I495 HydrophobicContact CG2-CD1 3.7Å; I458-I495 HydrophobicContact CG2-CG1 4.27Å; Y490-I495 HydrophobicContact CD2-CD1 4.14Å; Y490-I495 HydrophobicContact CE2-CD1 3.21Å; Y490-I495 WeakPolarHBondContact OH-CD1 3.23Å; M491-I495 PolarHBondContact O-N 2.61Å; A492-I495 PolarHBondContact O-N 2.9Å; I495-A497 VanDerWaalsContact C-N 3.35Å; I495-A497 PolarHBondContact O-N 2.84Å; I495-S498 PolarHBondContact O-N 2.96Å; I495-Q499 WeakPolarHBondContact O-CB 3.49Å; I495-Q499 WeakPolarHBondContact O-CG 3.39Å; I495-Q499 PolarHBondContact O-N 3.04Å; I495-I510 HydrophobicContact CB-CD1 4.41Å; I495-I510 HydrophobicContact CG1-CD1 4.38Å; I495-I510 HydrophobicContact CG2-CD1 3.99Å; I495-A513 HydrophobicContact CD1-CB 3.75Å; I495-A513 HydrophobicContact CG1-CB 3.8Å
496	A	79.4	Confident	78.9	Confident	50 Å²	50	70.8 Å²	70.8	41%	0.413	38%	0.384	S	S	.	.	H	α-helix	trans	-59.2	-45.4	174.6	0	0	0	0	0	111.6	A492 E493 S498 Q499 E500	A492-A496 PolarHBondContact O-N 2.89Å; A492-A496 VanDerWaalsContact O-N 3.14Å; E493-A496 PolarHBondContact O-N 3.41Å; A496-S498 PolarHBondContact O-N 2.95Å; A496-Q499 PolarHBondContact O-N 2.87Å; A496-E500 PolarHBondContact O-N 2.92Å
497	A	78.5	Confident	77.8	Confident	46 Å²	46	77.6 Å²	77.6	38%	0.38	42%	0.416	S	S	.	.	H	α-helix	trans	-63.5	-38.9	177.2	0	0	0	0	0	113.2	E493 K494 I495 N501	E493-A497 PolarHBondContact O-N 2.77Å; E493-A497 VanDerWaalsContact O-N 3.1Å; K494-A497 PolarHBondContact O-N 2.84Å; I495-A497 VanDerWaalsContact C-N 3.35Å; I495-A497 PolarHBondContact O-N 2.84Å; A497-N501 WeakPolarHBondContact O-CB 3.41Å; A497-N501 PolarHBondContact O-N 2.95Å; A497-N501 VanDerWaalsContact O-N 3.08Å; A497-N501 PolarHBondContact O-ND2 2.99Å
498	S	73.1	Confident	77	Confident	22 Å²	22	80.7 Å²	80.7	15%	0.154	43%	0.432	C	S	.	.	H	α-helix	trans	-70.9	-34.4	174.4	-82.3	0	0	0	0	112.9	K494 I495 A496 N502 E503	K494-S498 PolarHBondContact O-N 2.92Å; I495-S498 PolarHBondContact O-N 2.96Å; A496-S498 PolarHBondContact O-N 2.95Å; S498-N502 VanDerWaalsContact O-CA 3.25Å; S498-N502 WeakPolarHBondContact O-CA 3.25Å; S498-N502 PolarHBondContact O-N 3.39Å; S498-E503 PolarHBondContact OG-O 3.44Å
499	Q	72.9	Confident	76.5	Confident	88 Å²	88	80.3 Å²	80.3	41%	0.411	43%	0.431	S	S	.	.	H	α-helix	trans	-69.1	-37.1	173.8	-77.6	179.7	-51.9	0	0	112.2	E456 I495 A496	E456-Q499 PolarHBondContact OE2-NE2 2.95Å; I495-Q499 WeakPolarHBondContact O-CB 3.49Å; I495-Q499 WeakPolarHBondContact O-CG 3.39Å; I495-Q499 PolarHBondContact O-N 3.04Å; A496-Q499 PolarHBondContact O-N 2.87Å
500	E	76.8	Confident	76	Confident	170 Å²	170	76 Å²	76	79%	0.794	42%	0.415	S	S	*	.	H	α-helix	trans	-70.7	-41.3	175.8	-74.1	-170	165.9	0	0	113	A496	A496-E500 PolarHBondContact O-N 2.92Å
501	N	74.6	Confident	75.4	Confident	111 Å²	111	79.9 Å²	79.9	59%	0.594	43%	0.434	S	S	*	.	H	α-helix	trans	-86.6	-19.9	-178.5	-66.9	-68.4	0	0	0	113.7	A497 E503	A497-N501 WeakPolarHBondContact O-CB 3.41Å; A497-N501 PolarHBondContact O-N 2.95Å; A497-N501 VanDerWaalsContact O-N 3.08Å; A497-N501 PolarHBondContact O-ND2 2.99Å; N501-E503 PolarHBondContact O-N 3.27Å
502	N	67.3	Low	75.1	Confident	132 Å²	132	82.6 Å²	82.6	71%	0.706	45%	0.45	S	S	*	.			trans	59.4	25.3	-177.3	-146.9	4.3	0	0	0	114.1	S498	S498-N502 VanDerWaalsContact O-CA 3.25Å; S498-N502 WeakPolarHBondContact O-CA 3.25Å; S498-N502 PolarHBondContact O-N 3.39Å
503	E	61.1	Low	75.1	Confident	153 Å²	153	80 Å²	80	72%	0.715	43%	0.428	S	S	*	.			trans	-107.6	139.9	173.9	-65.8	-171.5	152.3	0	0	110	S498 N501	S498-E503 PolarHBondContact OG-O 3.44Å; N501-E503 PolarHBondContact O-N 3.27Å
504	G	58	Low	75.4	Confident	51 Å²	51	72.9 Å²	72.9	53%	0.526	39%	0.394	S	S	.	.	S	Bend	trans	92.8	2.8	176.7	0	0	0	0	0	116.5	T506	G504-T506 PolarHBondContact O-N 3.12Å
505	V	65.6	Low	76	Confident	80 Å²	80	73.4 Å²	73.4	49%	0.485	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	109	173.2	-174.6	0	0	0	0	109.9	I510	V505-I510 HydrophobicContact CG2-CG1 4.18Å
506	T	72.8	Confident	76.5	Confident	57 Å²	57	77.8 Å²	77.8	35%	0.35	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	175.4	173.7	70.8	0	0	0	0	111.2	G504 D508 G509 E511	G504-T506 PolarHBondContact O-N 3.12Å; T506-D508 PolarHBondContact O-N 3.4Å; T506-D508 VanDerWaalsContact O-N 3.13Å; T506-D508 PolarHBondContact OG1-N 2.96Å; T506-G509 WeakPolarHBondContact CB-O 3.39Å; T506-G509 PolarHBondContact N-O 3.4Å; T506-G509 PolarHBondContact O-N 3.02Å; T506-G509 PolarHBondContact OG1-N 2.93Å; T506-G509 PolarHBondContact OG1-O 2.79Å; T506-E511 HydrophobicContact CG2-CG 4Å
507	E	70.4	Confident	76.9	Confident	177 Å²	177	79.5 Å²	79.5	83%	0.827	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.5	172	-64	-166.7	159.7	0	0	112.7	R460	R460-E507 PolarHBondContact NH1-O 2.83Å
508	D	75.6	Confident	77.3	Confident	67 Å²	67	78.2 Å²	78.2	36%	0.358	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	20.7	175.2	-67.6	-53.1	0	0	0	113.3	R459 R460 T506	R459-D508 CarbonylContact C-O 3.54Å; R459-D508 WeakPolarHBondContact CA-O 3.45Å; R459-D508 WeakPolarHBondContact CD-O 3.43Å; R459-D508 PolarHBondContact NH1-O 3.22Å; R460-D508 HydrophobicContact CB-CB 4.09Å; R460-D508 WeakPolarHBondContact CD-OD1 3.5Å; R460-D508 HydrophobicContact CG-CB 4.45Å; R460-D508 IonicContact CZ-OD1 2.83Å; R460-D508 PolarHBondContact N-O 2.65Å; R460-D508 IonicContact NE-OD1 3.24Å; R460-D508 IonicContact NH1-OD1 3.38Å; R460-D508 PolarHBondContact NH1-OD1 3.1Å; T506-D508 PolarHBondContact O-N 3.4Å; T506-D508 VanDerWaalsContact O-N 3.13Å; T506-D508 PolarHBondContact OG1-N 2.96Å
509	G	82.2	Confident	78.2	Confident	2 Å²	2	82.2 Å²	82.2	2%	0.021	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.2	-154.5	176.8	0	0	0	0	0	114.2	I458 T506	I458-G509 CarbonylContact O-C 3.49Å; I458-G509 WeakPolarHBondContact O-CA 3.46Å; T506-G509 WeakPolarHBondContact CB-O 3.39Å; T506-G509 PolarHBondContact N-O 3.4Å; T506-G509 PolarHBondContact O-N 3.02Å; T506-G509 PolarHBondContact OG1-N 2.93Å; T506-G509 PolarHBondContact OG1-O 2.79Å
510	I	82.3	Confident	79.1	Confident	8 Å²	8	78.9 Å²	78.9	4%	0.041	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	117.4	-174.7	-61	163.7	0	0	0	108.8	I458 R459 I495 V505 D512 A513	I458-I510 PolarHBondContact O-N 3.02Å; R459-I510 WeakPolarHBondContact CD-O 3.49Å; I495-I510 HydrophobicContact CB-CD1 4.41Å; I495-I510 HydrophobicContact CG1-CD1 4.38Å; I495-I510 HydrophobicContact CG2-CD1 3.99Å; V505-I510 HydrophobicContact CG2-CG1 4.18Å; I510-D512 HydrophobicContact CG2-CB 4.27Å; I510-A513 HydrophobicContact CB-CB 4.27Å; I510-A513 HydrophobicContact CG2-CB 4.29Å; I510-A513 VanDerWaalsContact O-CB 3.24Å; I510-A513 WeakPolarHBondContact O-CB 3.29Å; I510-A513 PolarHBondContact O-N 2.89Å
511	E	78.3	Confident	79.7	Confident	115 Å²	115	79 Å²	79	54%	0.537	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-66.6	-43.2	-177.2	-50.7	-138	97.6	0	0	112	R459 T506 A513	R459-E511 IonicContact CZ-OE1 3.65Å; R459-E511 IonicContact NH1-OE1 3.81Å; R459-E511 PolarHBondContact NH1-OE1 2.96Å; R459-E511 IonicContact NH2-OE1 3.64Å; R459-E511 PolarHBondContact NH2-OE1 2.89Å; T506-E511 HydrophobicContact CG2-CG 4Å; E511-A513 PolarHBondContact O-N 2.78Å
512	D	82	Confident	80.4	Confident	91 Å²	91	75.5 Å²	75.5	49%	0.487	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-64.5	-5.7	179.6	-102	-57.8	0	0	0	114.9	K494 I510 F514	K494-D512 HydrophobicContact CD-CB 3.76Å; K494-D512 WeakPolarHBondContact CD-O 3.35Å; K494-D512 WeakPolarHBondContact CE-OD1 3.5Å; K494-D512 IonicContact NZ-OD1 2.73Å; K494-D512 PolarHBondContact NZ-OD1 3.18Å; I510-D512 HydrophobicContact CG2-CB 4.27Å; D512-F514 VanDerWaalsContact C-N 3.3Å; D512-F514 PolarHBondContact O-N 3.11Å
513	A	84.9	Confident	81.4	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-65.6	-29.4	-178.7	0	0	0	0	0	113.7	I458 R459 M491 I495 I510 E511	I458-A513 HydrophobicContact CG2-CB 3.99Å; R459-A513 HydrophobicContact CB-CB 4.35Å; M491-A513 PolarHBondContact N-O 3.17Å; I495-A513 HydrophobicContact CD1-CB 3.75Å; I495-A513 HydrophobicContact CG1-CB 3.8Å; I510-A513 HydrophobicContact CB-CB 4.27Å; I510-A513 HydrophobicContact CG2-CB 4.29Å; I510-A513 VanDerWaalsContact O-CB 3.24Å; I510-A513 WeakPolarHBondContact O-CB 3.29Å; I510-A513 PolarHBondContact O-N 2.89Å; E511-A513 PolarHBondContact O-N 2.78Å
514	F	89.6	Confident	82.9	Confident	24 Å²	24	65.1 Å²	65.1	11%	0.105	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.3	-176.2	-69.8	-86.2	0	0	0	112.5	L438 F449 R459 W470 V477 L488 R489 Y490 D512	L438-F514 HydrophobicContact CD1-CZ 4.18Å; F449-F514 HydrophobicContact CD2-CE1 4.45Å; F449-F514 AromaticContact CD2-CE2 3.63Å; F449-F514 HydrophobicContact CD2-CE2 3.63Å; F449-F514 AromaticContact CD2-CZ 3.5Å; F449-F514 HydrophobicContact CD2-CZ 3.5Å; F449-F514 HydrophobicContact CE2-CE1 4.16Å; F449-F514 HydrophobicContact CE2-CE2 4.1Å; F449-F514 AromaticContact CE2-CZ 3.63Å; F449-F514 HydrophobicContact CE2-CZ 3.63Å; F449-F514 HydrophobicContact CG-CE2 4.37Å; F449-F514 HydrophobicContact CG-CZ 4.16Å; F449-F514 HydrophobicContact CZ-CZ 4.39Å; R459-F514 HydrophobicContact CB-CD2 3.97Å; R459-F514 HydrophobicContact CB-CE2 4.06Å; R459-F514 HydrophobicContact CG-CD2 4.08Å; W470-F514 HydrophobicContact CH2-CE1 4.08Å; W470-F514 HydrophobicContact CH2-CZ 4.12Å; V477-F514 HydrophobicContact CG1-CD1 4.3Å; V477-F514 HydrophobicContact CG1-CE1 3.89Å; L488-F514 HydrophobicContact CB-CD1 4.14Å; L488-F514 HydrophobicContact CD2-CB 4.09Å; R489-F514 CarbonylContact O-C 3.59Å; R489-F514 VanDerWaalsContact O-CA 3.29Å; R489-F514 WeakPolarHBondContact O-CA 3.47Å; Y490-F514 HydrophobicContact CD2-CD1 4.15Å; Y490-F514 AromaticContact CD2-CE1 3.58Å; Y490-F514 HydrophobicContact CD2-CE1 3.58Å; Y490-F514 HydrophobicContact CD2-CE2 4.07Å; Y490-F514 AromaticContact CD2-CZ 3.55Å; Y490-F514 HydrophobicContact CD2-CZ 3.55Å; Y490-F514 HydrophobicContact CE2-CE2 4.4Å; Y490-F514 HydrophobicContact CE2-CZ 4.09Å; Y490-F514 HydrophobicContact CG-CE1 4.14Å; Y490-F514 HydrophobicContact CG-CZ 4.46Å; D512-F514 VanDerWaalsContact C-N 3.3Å; D512-F514 PolarHBondContact O-N 3.11Å
515	E	90.9	Very high	84.3	Confident	91 Å²	91	64.7 Å²	64.7	43%	0.425	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.2	173.7	175.2	177.9	-134.2	0	0	109.5	L488 R489 M491 L517	L488-E515 CarbonylContact C-O 3.6Å; L488-E515 WeakPolarHBondContact CA-O 3.22Å; R489-E515 HydrophobicContact CB-CB 4.36Å; R489-E515 PolarHBondContact N-O 3.14Å; R489-E515 PolarHBondContact O-N 3Å; M491-E515 HydrophobicContact CE-CB 3.87Å; M491-E515 HydrophobicContact CE-CG 4.45Å; M491-E515 WeakPolarHBondContact CE-OE2 3.39Å; E515-L517 HydrophobicContact CG-CD2 4.3Å; E515-L517 PolarHBondContact O-N 3.37Å
516	V	90.6	Very high	85.5	Confident	98 Å²	98	62 Å²	62	59%	0.594	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	118.5	176.2	-172.9	0	0	0	0	109.1	L488	L488-V516 HydrophobicContact CD2-CB 4.42Å; L488-V516 HydrophobicContact CD2-CG2 3.74Å
517	L	88.3	Confident	86.4	Confident	87 Å²	87	59.7 Å²	59.7	46%	0.455	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-30.4	176.3	-60.5	-175.7	0	0	0	112.7	L476 I487 R489 E515	L476-L517 HydrophobicContact CD2-CD1 3.6Å; I487-L517 HydrophobicContact CG2-CB 4.3Å; I487-L517 HydrophobicContact CG2-CD1 4.25Å; I487-L517 PolarHBondContact O-N 3.12Å; R489-L517 HydrophobicContact CB-CD1 4.14Å; R489-L517 HydrophobicContact CB-CD2 4.3Å; R489-L517 HydrophobicContact CB-CG 4.18Å; E515-L517 HydrophobicContact CG-CD2 4.3Å; E515-L517 PolarHBondContact O-N 3.37Å
518	G	86.4	Confident	87.5	Confident	19 Å²	19	52.6 Å²	52.6	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.9	158.9	178	0	0	0	0	0	114.1	I487	I487-G518 PolarHBondContact N-O 2.81Å; I487-G518 PolarHBondContact O-N 3.22Å
519	E	91.3	Very high	88.3	Confident	106 Å²	106	50.1 Å²	50.1	50%	0.495	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.8	169.4	178	178.7	-175	0	0	109.1	S484 F486	S484-E519 WeakPolarHBondContact CB-OE1 3.45Å; S484-E519 PolarHBondContact OG-OE1 2.59Å; F486-E519 HydrophobicContact CD1-CB 3.85Å; F486-E519 HydrophobicContact CD1-CG 3.91Å; F486-E519 HydrophobicContact CE1-CB 3.81Å; F486-E519 HydrophobicContact CE1-CG 3.52Å; F486-E519 WeakPolarHBondContact CE1-OE2 3.19Å; F486-E519 VanDerWaalsContact CZ-CD 3.4Å; F486-E519 HydrophobicContact CZ-CG 3.87Å; F486-E519 VanDerWaalsContact CZ-OE1 3.29Å; F486-E519 WeakPolarHBondContact CZ-OE1 3.48Å
520	I	91.4	Very high	88.6	Confident	17 Å²	17	51 Å²	51	9%	0.087	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123.2	-179.7	-64	92.4	0	0	0	109.7	S484 F485 E522 Y546 I551	S484-I520 CarbonylContact C-O 3.54Å; S484-I520 VanDerWaalsContact CA-O 3.25Å; S484-I520 WeakPolarHBondContact CA-O 3.41Å; S484-I520 VanDerWaalsContact CB-O 3.24Å; S484-I520 WeakPolarHBondContact CB-O 3.18Å; F485-I520 HydrophobicContact CD1-CB 3.95Å; F485-I520 HydrophobicContact CD1-CG2 4.1Å; F485-I520 HydrophobicContact CD2-CB 4.41Å; F485-I520 HydrophobicContact CD2-CD1 4.2Å; F485-I520 HydrophobicContact CE1-CB 3.57Å; F485-I520 HydrophobicContact CE1-CG1 4.41Å; F485-I520 HydrophobicContact CE1-CG2 3.4Å; F485-I520 VanDerWaalsContact CE1-CG2 3.4Å; F485-I520 HydrophobicContact CE2-CB 4.06Å; F485-I520 HydrophobicContact CE2-CD1 3.68Å; F485-I520 HydrophobicContact CE2-CG1 4.2Å; F485-I520 HydrophobicContact CG-CB 4.38Å; F485-I520 HydrophobicContact CZ-CB 3.63Å; F485-I520 HydrophobicContact CZ-CD1 3.99Å; F485-I520 HydrophobicContact CZ-CG1 3.98Å; F485-I520 HydrophobicContact CZ-CG2 3.72Å; F485-I520 PolarHBondContact N-O 3.27Å; F485-I520 PolarHBondContact O-N 2.87Å; I520-E522 HydrophobicContact CG2-CB 4.31Å; I520-E522 HydrophobicContact CG2-CG 4.46Å; I520-E522 PolarHBondContact O-N 3.25Å; I520-Y546 HydrophobicContact CD1-CD2 3.82Å; I520-Y546 HydrophobicContact CD1-CE2 3.39Å; I520-Y546 HydrophobicContact CG1-CD2 4.1Å; I520-Y546 HydrophobicContact CG1-CE2 3.91Å; I520-I551 HydrophobicContact CG2-CD1 3.52Å; I520-I551 HydrophobicContact CG2-CG1 4.26Å
521	Q	89.8	Confident	88.6	Confident	172 Å²	172	53 Å²	53	80%	0.804	28%	0.284	S	S	*	.			trans	-81	58.7	178.6	-64.4	-179.5	-9.4	0	0	112.1
522	E	88.9	Confident	89	Confident	39 Å²	39	49.5 Å²	49.5	18%	0.182	27%	0.269	C	S	.	.			trans	-129.1	144.7	165.6	-75.1	-158.2	140.4	0	0	111.3	E483 F485 I520 V524 Y536 N544 I551	E483-E522 CarbonylContact O-C 3.59Å; F485-E522 WeakPolarHBondContact CD1-O 3.38Å; F485-E522 HydrophobicContact CE1-CB 4.31Å; I520-E522 HydrophobicContact CG2-CB 4.31Å; I520-E522 HydrophobicContact CG2-CG 4.46Å; I520-E522 PolarHBondContact O-N 3.25Å; E522-V524 PolarHBondContact O-N 2.8Å; E522-Y536 HydrophobicContact CB-CE2 4.43Å; E522-Y536 WeakPolarHBondContact OE2-CE2 3.4Å; E522-Y536 VanDerWaalsContact OE2-CZ 3.28Å; E522-Y536 PolarHBondContact OE2-OH 3.14Å; E522-N544 PolarHBondContact OE1-ND2 2.71Å; E522-N544 PolarHBondContact OE2-ND2 3.37Å; E522-I551 HydrophobicContact CG-CD1 4.48Å
523	I	89.8	Confident	89.3	Confident	65 Å²	65	45.1 Å²	45.1	33%	0.333	25%	0.246	S	C	.	.			trans	-87	110	-179	-54	176.2	0	0	0	110.1	E482 E483 S538 S539	E482-I523 WeakPolarHBondContact O-CD1 3.29Å; E482-I523 WeakPolarHBondContact O-CG1 3.35Å; E483-I523 WeakPolarHBondContact O-CG1 3.43Å; I523-S538 CarbonylContact O-C 3.57Å; I523-S539 PolarHBondContact O-N 3.2Å
524	V	91.8	Very high	89.7	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.9	177.1	176.3	0	0	0	0	111.5	F469 A480 F485 E522 F534 Y536	F469-V524 HydrophobicContact CE2-CG1 3.99Å; A480-V524 HydrophobicContact CB-CB 3.93Å; A480-V524 HydrophobicContact CB-CG1 4.35Å; A480-V524 HydrophobicContact CB-CG2 4.43Å; F485-V524 HydrophobicContact CB-CG2 4.03Å; F485-V524 HydrophobicContact CD1-CG2 3.47Å; F485-V524 VanDerWaalsContact CD1-CG2 3.47Å; F485-V524 HydrophobicContact CE1-CG2 4Å; F485-V524 HydrophobicContact CG-CG2 3.84Å; E522-V524 PolarHBondContact O-N 2.8Å; V524-F534 HydrophobicContact CG1-CZ 4.38Å; V524-F534 HydrophobicContact CG2-CE1 4.25Å; V524-Y536 HydrophobicContact CG2-CD2 3.87Å; V524-Y536 HydrophobicContact CG2-CE2 4.39Å; V524-Y536 HydrophobicContact CG2-CG 4.19Å
525	K	87.9	Confident	90	Very high	41 Å²	41	44 Å²	44	18%	0.178	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-56	168.3	-82.2	174.6	167.9	151.3	0	111.1	H467 T537 S539 N541	H467-K525 PolarHBondContact NE2-O 3.03Å; K525-T537 WeakPolarHBondContact CB-O 3.28Å; K525-T537 PolarHBondContact N-O 3.05Å; K525-S539 PolarHBondContact NZ-O 2.98Å; K525-N541 PolarHBondContact NZ-OD1 2.95Å
526	T	90.4	Very high	90.1	Very high	23 Å²	23	39.7 Å²	39.7	14%	0.141	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	155.9	174.2	56.3	0	0	0	0	109.7	Y536 T537 Y562 L563	T526-Y536 CarbonylContact O-C 3.55Å; T526-Y536 VanDerWaalsContact O-CA 3.25Å; T526-Y536 WeakPolarHBondContact O-CA 3.39Å; T526-Y536 WeakPolarHBondContact O-CB 3.19Å; T526-T537 PolarHBondContact N-OG1 3.18Å; T526-T537 PolarHBondContact O-N 3.18Å; T526-T537 PolarHBondContact OG1-OG1 3.12Å; T526-Y562 HydrophobicContact CG2-CD1 3.59Å; T526-Y562 HydrophobicContact CG2-CE1 4.43Å; T526-Y562 HydrophobicContact CG2-CG 4.34Å; T526-L563 PolarHBondContact OG1-N 2.77Å
527	G	92.6	Very high	90.3	Very high	10 Å²	10	35 Å²	35	10%	0.103	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	165.9	173.3	0	0	0	0	0	112.9	F469 I535	F469-G527 WeakPolarHBondContact CD1-O 3.29Å; F469-G527 VanDerWaalsContact CE1-O 3.25Å; F469-G527 WeakPolarHBondContact CE1-O 3.27Å; G527-I535 CarbonylContact C-O 3.49Å; G527-I535 WeakPolarHBondContact CA-O 3.37Å
528	L	92.1	Very high	90.4	Very high	28 Å²	28	31 Å²	31	15%	0.147	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	161	175.3	61.8	82.5	0	0	0	109.9	V530 F534 I535 L563 L573	L528-V530 HydrophobicContact CD1-CG2 3.66Å; L528-F534 WeakPolarHBondContact O-CD2 3.23Å; L528-I535 HydrophobicContact CD1-CB 4.08Å; L528-I535 HydrophobicContact CD1-CD1 3.98Å; L528-I535 HydrophobicContact CD1-CG1 4.37Å; L528-I535 HydrophobicContact CG-CB 4.47Å; L528-I535 PolarHBondContact N-O 2.8Å; L528-I535 PolarHBondContact O-N 3.15Å; L528-L563 HydrophobicContact CD2-CB 4.2Å; L528-L563 HydrophobicContact CD2-CD2 4.3Å; L528-L573 HydrophobicContact CD1-CD1 4.18Å; L528-L573 HydrophobicContact CD2-CD1 4.01Å
529	W	92	Very high	90.4	Very high	14 Å²	14	32.3 Å²	32.3	5%	0.053	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	145.5	175.2	-69.5	89.3	0	0	0	110.8	F469 L476 C478 I487 D532 C533 F534	F469-W529 PolarHBondContact O-NE1 2.94Å; L476-W529 HydrophobicContact CB-CE3 4.46Å; L476-W529 HydrophobicContact CB-CH2 3.67Å; L476-W529 HydrophobicContact CB-CZ2 3.98Å; L476-W529 HydrophobicContact CB-CZ3 3.93Å; L476-W529 HydrophobicContact CD1-CE3 4.33Å; L476-W529 HydrophobicContact CD1-CH2 4.01Å; L476-W529 HydrophobicContact CD1-CZ3 3.6Å; L476-W529 HydrophobicContact CG-CH2 4.42Å; L476-W529 HydrophobicContact CG-CZ3 4.41Å; C478-W529 HydrophobicContact CB-CZ2 3.81Å; I487-W529 HydrophobicContact CD1-CH2 4.01Å; I487-W529 HydrophobicContact CD1-CZ2 4.49Å; I487-W529 HydrophobicContact CG1-CH2 4.2Å; I487-W529 HydrophobicContact CG1-CZ2 4.38Å; I487-W529 HydrophobicContact CG2-CH2 3.91Å; W529-D532 WeakPolarHBondContact CZ3-O 3.5Å; W529-C533 WeakPolarHBondContact CA-O 3.35Å; W529-F534 AromaticContact CD1-CD2 3.96Å; W529-F534 HydrophobicContact CD2-CB 4.07Å; W529-F534 AromaticContact CD2-CD2 3.98Å; W529-F534 HydrophobicContact CD2-CD2 3.98Å; W529-F534 HydrophobicContact CD2-CG 4.48Å; W529-F534 AromaticContact CE2-CD2 3.72Å; W529-F534 HydrophobicContact CE3-CB 3.9Å; W529-F534 HydrophobicContact CG-CD2 4.16Å; W529-F534 HydrophobicContact CH2-CB 3.95Å; W529-F534 HydrophobicContact CZ2-CB 4.12Å; W529-F534 HydrophobicContact CZ2-CD2 4.2Å; W529-F534 HydrophobicContact CZ2-CG 4.34Å; W529-F534 HydrophobicContact CZ3-CB 3.84Å; W529-F534 AromaticContact NE1-CD2 3.7Å
530	V	88.5	Confident	90.2	Very high	22 Å²	22	31.9 Å²	31.9	13%	0.133	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	97.3	166	-179.1	0	0	0	0	106.5	L528 D532 C533 I535 Y566 L592	L528-V530 HydrophobicContact CD1-CG2 3.66Å; V530-D532 PolarHBondContact O-N 3.02Å; V530-C533 PolarHBondContact N-O 3.34Å; V530-C533 WeakPolarHBondContact O-CB 3.43Å; V530-C533 PolarHBondContact O-N 2.91Å; V530-C533 VanDerWaalsContact O-N 3.1Å; V530-I535 HydrophobicContact CB-CD1 4.2Å; V530-I535 HydrophobicContact CG2-CD1 3.56Å; V530-Y566 HydrophobicContact CB-CD1 4.44Å; V530-Y566 HydrophobicContact CG1-CD1 3.83Å; V530-Y566 HydrophobicContact CG1-CE1 3.8Å; V530-Y566 HydrophobicContact CG2-CD1 3.65Å; V530-Y566 HydrophobicContact CG2-CD2 4.38Å; V530-Y566 HydrophobicContact CG2-CE1 4.36Å; V530-Y566 HydrophobicContact CG2-CG 3.66Å; V530-L592 HydrophobicContact CB-CD1 4.07Å; V530-L592 HydrophobicContact CG1-CD1 3.77Å
531	G	83.9	Confident	90.1	Very high	49 Å²	49	32.9 Å²	32.9	51%	0.505	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	-129.1	-165.2	0	0	0	0	0	111.1	C533	G531-C533 VanDerWaalsContact C-N 3.29Å
532	D	85.9	Confident	90.2	Very high	41 Å²	41	29.3 Å²	29.3	22%	0.219	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-1.7	176.9	-63.7	14.2	0	0	0	113.2	L476 W529 V530 T596 R600	L476-D532 HydrophobicContact CD1-CB 4.07Å; W529-D532 WeakPolarHBondContact CZ3-O 3.5Å; V530-D532 PolarHBondContact O-N 3.02Å; D532-T596 HydrophobicContact CB-CG2 3.66Å; D532-T596 WeakPolarHBondContact OD2-CG2 3.32Å; D532-R600 IonicContact OD1-CZ 3.32Å; D532-R600 IonicContact OD1-NH2 2.71Å; D532-R600 PolarHBondContact OD1-NH2 3.2Å; D532-R600 IonicContact OD2-CZ 2.71Å; D532-R600 IonicContact OD2-NE 2.73Å; D532-R600 PolarHBondContact OD2-NE 2.89Å; D532-R600 IonicContact OD2-NH2 2.92Å; D532-R600 PolarHBondContact OD2-NH2 3.44Å
533	C	89.3	Confident	90.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.2	-178.1	-57.5	0	0	0	0	110.6	W529 V530 G531 V547 L592 T596	W529-C533 WeakPolarHBondContact CA-O 3.35Å; V530-C533 PolarHBondContact N-O 3.34Å; V530-C533 WeakPolarHBondContact O-CB 3.43Å; V530-C533 PolarHBondContact O-N 2.91Å; V530-C533 VanDerWaalsContact O-N 3.1Å; G531-C533 VanDerWaalsContact C-N 3.29Å; C533-V547 HydrophobicContact CB-CG2 4.3Å; C533-L592 HydrophobicContact CB-CD2 4.11Å; C533-T596 PolarHBondContact SG-OG1 2.96Å
534	F	93.4	Very high	90.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	109.6	175.7	179.8	-114.1	0	0	0	110.2	F469 C478 F485 I487 V524 L528 W529 Y536 Y545 Y546	F469-F534 HydrophobicContact CB-CE2 3.83Å; F469-F534 AromaticContact CD2-CE2 3.86Å; F469-F534 HydrophobicContact CD2-CE2 3.86Å; F469-F534 AromaticContact CD2-CZ 3.73Å; F469-F534 HydrophobicContact CD2-CZ 3.73Å; F469-F534 HydrophobicContact CE2-CZ 4.26Å; F469-F534 AromaticContact CG-CE2 3.97Å; F469-F534 HydrophobicContact CG-CE2 3.97Å; F469-F534 HydrophobicContact CG-CZ 4.31Å; C478-F534 HydrophobicContact CB-CD1 4.4Å; C478-F534 HydrophobicContact CB-CD2 4.07Å; C478-F534 HydrophobicContact CB-CE1 4.2Å; C478-F534 HydrophobicContact CB-CE2 3.86Å; C478-F534 HydrophobicContact CB-CG 4.34Å; C478-F534 HydrophobicContact CB-CZ 3.92Å; C478-F534 WeakPolarHBondContact SG-CE1 3.45Å; C478-F534 VanDerWaalsContact SG-CZ 3.5Å; F485-F534 HydrophobicContact CD2-CD1 4.44Å; F485-F534 HydrophobicContact CD2-CE1 4.29Å; F485-F534 AromaticContact CE2-CD1 3.95Å; F485-F534 HydrophobicContact CE2-CD1 3.95Å; F485-F534 HydrophobicContact CE2-CE1 4.16Å; F485-F534 HydrophobicContact CZ-CD1 4.43Å; I487-F534 HydrophobicContact CD1-CB 4.27Å; V524-F534 HydrophobicContact CG1-CZ 4.38Å; V524-F534 HydrophobicContact CG2-CE1 4.25Å; L528-F534 WeakPolarHBondContact O-CD2 3.23Å; W529-F534 AromaticContact CD1-CD2 3.96Å; W529-F534 HydrophobicContact CD2-CB 4.07Å; W529-F534 AromaticContact CD2-CD2 3.98Å; W529-F534 HydrophobicContact CD2-CD2 3.98Å; W529-F534 HydrophobicContact CD2-CG 4.48Å; W529-F534 AromaticContact CE2-CD2 3.72Å; W529-F534 HydrophobicContact CE3-CB 3.9Å; W529-F534 HydrophobicContact CG-CD2 4.16Å; W529-F534 HydrophobicContact CH2-CB 3.95Å; W529-F534 HydrophobicContact CZ2-CB 4.12Å; W529-F534 HydrophobicContact CZ2-CD2 4.2Å; W529-F534 HydrophobicContact CZ2-CG 4.34Å; W529-F534 HydrophobicContact CZ3-CB 3.84Å; W529-F534 AromaticContact NE1-CD2 3.7Å; F534-Y536 AromaticContact CD1-CD1 3.71Å; F534-Y536 HydrophobicContact CD1-CD1 3.71Å; F534-Y536 HydrophobicContact CD1-CE1 4.43Å; F534-Y536 HydrophobicContact CD1-CG 4.35Å; F534-Y536 AromaticContact CE1-CD1 3.79Å; F534-Y536 HydrophobicContact CE1-CD1 3.79Å; F534-Y536 AromaticContact CE1-CG 3.96Å; F534-Y536 HydrophobicContact CE1-CG 3.96Å; F534-Y545 CarbonylContact O-C 3.5Å; F534-Y545 VanDerWaalsContact O-CA 3.3Å; F534-Y545 WeakPolarHBondContact O-CA 3.5Å; F534-Y546 PolarHBondContact N-O 2.79Å; F534-Y546 VanDerWaalsContact N-O 3.16Å; F534-Y546 PolarHBondContact O-N 3.49Å
535	I	94.5	Very high	90.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.5	-180	-52.7	171.8	0	0	0	108.7	G527 L528 V530 L543 I554 L573 L587	G527-I535 CarbonylContact C-O 3.49Å; G527-I535 WeakPolarHBondContact CA-O 3.37Å; L528-I535 HydrophobicContact CD1-CB 4.08Å; L528-I535 HydrophobicContact CD1-CD1 3.98Å; L528-I535 HydrophobicContact CD1-CG1 4.37Å; L528-I535 HydrophobicContact CG-CB 4.47Å; L528-I535 PolarHBondContact N-O 2.8Å; L528-I535 PolarHBondContact O-N 3.15Å; V530-I535 HydrophobicContact CB-CD1 4.2Å; V530-I535 HydrophobicContact CG2-CD1 3.56Å; I535-L543 HydrophobicContact CG2-CD1 4.01Å; I535-I554 HydrophobicContact CG2-CD1 4.44Å; I535-L573 HydrophobicContact CD1-CD1 4.07Å; I535-L573 HydrophobicContact CG2-CD1 4.3Å; I535-L573 HydrophobicContact CG2-CD2 3.67Å; I535-L587 HydrophobicContact CD1-CD2 3.42Å; I535-L587 VanDerWaalsContact CD1-CD2 3.42Å; I535-L587 HydrophobicContact CG1-CD2 4.26Å
536	Y	94.3	Very high	90.8	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	157.4	-175.7	66.8	-85.1	0	0	0	114.3	F485 E522 V524 T526 F534 N544 I551	F485-Y536 HydrophobicContact CE1-CE1 4.02Å; F485-Y536 HydrophobicContact CE1-CE2 4.03Å; F485-Y536 AromaticContact CE1-CZ 3.66Å; F485-Y536 HydrophobicContact CZ-CD1 4.3Å; F485-Y536 AromaticContact CZ-CE1 3.65Å; F485-Y536 HydrophobicContact CZ-CE1 3.65Å; F485-Y536 HydrophobicContact CZ-CE2 4.49Å; F485-Y536 AromaticContact CZ-CZ 3.76Å; E522-Y536 HydrophobicContact CB-CE2 4.43Å; E522-Y536 WeakPolarHBondContact OE2-CE2 3.4Å; E522-Y536 VanDerWaalsContact OE2-CZ 3.28Å; E522-Y536 PolarHBondContact OE2-OH 3.14Å; V524-Y536 HydrophobicContact CG2-CD2 3.87Å; V524-Y536 HydrophobicContact CG2-CE2 4.39Å; V524-Y536 HydrophobicContact CG2-CG 4.19Å; T526-Y536 CarbonylContact O-C 3.55Å; T526-Y536 VanDerWaalsContact O-CA 3.25Å; T526-Y536 WeakPolarHBondContact O-CA 3.39Å; T526-Y536 WeakPolarHBondContact O-CB 3.19Å; F534-Y536 AromaticContact CD1-CD1 3.71Å; F534-Y536 HydrophobicContact CD1-CD1 3.71Å; F534-Y536 HydrophobicContact CD1-CE1 4.43Å; F534-Y536 HydrophobicContact CD1-CG 4.35Å; F534-Y536 AromaticContact CE1-CD1 3.79Å; F534-Y536 HydrophobicContact CE1-CD1 3.79Å; F534-Y536 AromaticContact CE1-CG 3.96Å; F534-Y536 HydrophobicContact CE1-CG 3.96Å; Y536-N544 HydrophobicContact CD1-CB 4.36Å; Y536-N544 HydrophobicContact CD2-CB 4.38Å; Y536-N544 HydrophobicContact CE1-CB 3.84Å; Y536-N544 HydrophobicContact CE2-CB 3.87Å; Y536-N544 PolarHBondContact N-O 2.74Å; Y536-N544 PolarHBondContact O-N 3.38Å; Y536-N544 VanDerWaalsContact O-O 3.09Å; Y536-I551 VanDerWaalsContact OH-CG2 3.3Å; Y536-I551 WeakPolarHBondContact OH-CG2 3.47Å
537	T	94	Very high	90.6	Very high	1 Å²	1	22 Å²	22	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.6	167.8	53.3	0	0	0	0	110.5	K525 T526 R542 L543 L557 M561 L563 L575	K525-T537 WeakPolarHBondContact CB-O 3.28Å; K525-T537 PolarHBondContact N-O 3.05Å; T526-T537 PolarHBondContact N-OG1 3.18Å; T526-T537 PolarHBondContact O-N 3.18Å; T526-T537 PolarHBondContact OG1-OG1 3.12Å; T537-R542 WeakPolarHBondContact CA-O 3.41Å; T537-L543 HydrophobicContact CG2-CD1 4.23Å; T537-L557 HydrophobicContact CG2-CD1 4.43Å; T537-M561 PolarHBondContact OG1-O 3.29Å; T537-L563 HydrophobicContact CG2-CD1 4.13Å; T537-L563 HydrophobicContact CG2-CG 4.07Å; T537-L575 HydrophobicContact CG2-CD2 3.67Å
538	S	91.1	Very high	89.9	Confident	2 Å²	2	23.9 Å²	23.9	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	157.1	177	176.9	0	0	0	0	111.6	I523 V540 N541 R542	I523-S538 CarbonylContact O-C 3.57Å; S538-V540 PolarHBondContact O-N 2.95Å; S538-V540 PolarHBondContact OG-N 3.1Å; S538-N541 PolarHBondContact O-N 3.08Å; S538-N541 VanDerWaalsContact O-N 3.07Å; S538-R542 PolarHBondContact N-O 3.37Å
539	S	85.8	Confident	89.4	Confident	46 Å²	46	24.9 Å²	24.9	32%	0.322	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-34.2	170.4	59	0	0	0	0	112.5	I523 K525 N541	I523-S539 PolarHBondContact O-N 3.2Å; K525-S539 PolarHBondContact NZ-O 2.98Å; S539-N541 PolarHBondContact O-N 3.48Å
540	V	87.7	Confident	89	Confident	98 Å²	98	26.3 Å²	26.3	59%	0.594	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	25.7	179.4	-154.1	0	0	0	0	112.9	S538 R542	S538-V540 PolarHBondContact O-N 2.95Å; S538-V540 PolarHBondContact OG-N 3.1Å; V540-R542 PolarHBondContact O-N 2.88Å; V540-R542 VanDerWaalsContact O-N 3.08Å
541	N	88.3	Confident	89	Confident	37 Å²	37	28.4 Å²	28.4	20%	0.198	18%	0.184	C	C	.	.	S	Bend	trans	51.2	32.9	180	-60.2	-17.3	0	0	0	114.3	K525 S538 S539 L557	K525-N541 PolarHBondContact NZ-OD1 2.95Å; S538-N541 PolarHBondContact O-N 3.08Å; S538-N541 VanDerWaalsContact O-N 3.07Å; S539-N541 PolarHBondContact O-N 3.48Å; N541-L557 HydrophobicContact CB-CB 4.29Å; N541-L557 WeakPolarHBondContact CB-O 3.45Å; N541-L557 WeakPolarHBondContact O-CB 3.35Å; N541-L557 WeakPolarHBondContact O-CG 3.41Å; N541-L557 PolarHBondContact O-N 3.38Å
542	R	92.3	Very high	89.2	Confident	98 Å²	98	27.5 Å²	27.5	37%	0.37	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	137.3	169.5	-59.4	-178.8	-176.4	178.4	-3.2	109.5	T537 S538 V540	T537-R542 WeakPolarHBondContact CA-O 3.41Å; S538-R542 PolarHBondContact N-O 3.37Å; V540-R542 PolarHBondContact O-N 2.88Å; V540-R542 VanDerWaalsContact O-N 3.08Å
543	L	93.6	Very high	89.4	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	109.3	166.6	176	61.2	0	0	0	107.9	I535 T537 I554 A555 L557 L563 L573 L575 F585	I535-L543 HydrophobicContact CG2-CD1 4.01Å; T537-L543 HydrophobicContact CG2-CD1 4.23Å; L543-I554 HydrophobicContact CB-CB 4.49Å; L543-I554 HydrophobicContact CD2-CB 3.95Å; L543-I554 HydrophobicContact CD2-CD1 4.18Å; L543-I554 HydrophobicContact CD2-CG2 4.02Å; L543-I554 HydrophobicContact CG-CB 3.95Å; L543-I554 HydrophobicContact CG-CD1 4.07Å; L543-I554 HydrophobicContact CG-CG1 4.32Å; L543-I554 PolarHBondContact O-N 3.07Å; L543-A555 HydrophobicContact CB-CB 4.47Å; L543-A555 PolarHBondContact N-O 3.41Å; L543-A555 PolarHBondContact O-N 3.08Å; L543-L557 HydrophobicContact CB-CD1 4.19Å; L543-L557 HydrophobicContact CB-CG 4.5Å; L543-L563 HydrophobicContact CD1-CD2 4.21Å; L543-L573 HydrophobicContact CD1-CD2 3.76Å; L543-L573 HydrophobicContact CD2-CD2 3.84Å; L543-L573 HydrophobicContact CG-CD2 4.33Å; L543-L575 HydrophobicContact CD1-CD2 4.41Å; L543-L575 HydrophobicContact CD2-CD1 4.36Å; L543-F585 HydrophobicContact CD2-CB 4.27Å; L543-F585 HydrophobicContact CD2-CD2 3.79Å; L543-F585 HydrophobicContact CD2-CE2 4.33Å; L543-F585 HydrophobicContact CD2-CG 3.99Å
544	N	93.5	Very high	89.4	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	158.3	-177.5	-70.7	-7.9	0	0	0	110.1	E522 Y536 I551 T553	E522-N544 PolarHBondContact OE1-ND2 2.71Å; E522-N544 PolarHBondContact OE2-ND2 3.37Å; Y536-N544 HydrophobicContact CD1-CB 4.36Å; Y536-N544 HydrophobicContact CD2-CB 4.38Å; Y536-N544 HydrophobicContact CE1-CB 3.84Å; Y536-N544 HydrophobicContact CE2-CB 3.87Å; Y536-N544 PolarHBondContact N-O 2.74Å; Y536-N544 PolarHBondContact O-N 3.38Å; Y536-N544 VanDerWaalsContact O-O 3.09Å; N544-I551 HydrophobicContact CB-CG2 3.88Å; N544-T553 WeakPolarHBondContact OD1-CA 3.42Å; N544-T553 PolarHBondContact OD1-OG1 3.18Å
545	Y	92.8	Very high	89.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.3	159	72.5	-77.7	0	0	0	111	F534 V547 V552 I554 L587 L592 Q595	F534-Y545 CarbonylContact O-C 3.5Å; F534-Y545 VanDerWaalsContact O-CA 3.3Å; F534-Y545 WeakPolarHBondContact O-CA 3.5Å; Y545-V547 HydrophobicContact CD2-CG2 3.53Å; Y545-V547 HydrophobicContact CE2-CG2 3.51Å; Y545-V552 HydrophobicContact CD1-CB 4.01Å; Y545-V552 HydrophobicContact CD1-CG1 4.35Å; Y545-V552 VanDerWaalsContact CD1-O 3.24Å; Y545-V552 WeakPolarHBondContact CD1-O 3.26Å; Y545-V552 HydrophobicContact CE1-CB 3.53Å; Y545-V552 HydrophobicContact CE1-CG1 3.51Å; Y545-V552 HydrophobicContact CE2-CB 4.35Å; Y545-V552 PolarHBondContact N-O 3.23Å; Y545-V552 PolarHBondContact O-N 3.4Å; Y545-I554 HydrophobicContact CD1-CD1 3.8Å; Y545-I554 HydrophobicContact CD1-CG1 3.57Å; Y545-I554 HydrophobicContact CE1-CD1 4.46Å; Y545-I554 HydrophobicContact CE1-CG1 4Å; Y545-L587 HydrophobicContact CE1-CD1 4.43Å; Y545-L592 HydrophobicContact CD2-CD2 3.78Å; Y545-L592 HydrophobicContact CE2-CD2 3.6Å; Y545-Q595 PolarHBondContact OH-NE2 3.38Å; Y545-Q595 PolarHBondContact OH-OE1 2.88Å
546	Y	90.9	Very high	89	Confident	12 Å²	12	36.6 Å²	36.6	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.1	179.4	170.5	-88.1	0	0	0	110.6	I487 I520 F534 G549 E550	I487-Y546 HydrophobicContact CD1-CD1 3.27Å; I487-Y546 HydrophobicContact CD1-CE1 3.32Å; I487-Y546 HydrophobicContact CD1-CG 3.92Å; I520-Y546 HydrophobicContact CD1-CD2 3.82Å; I520-Y546 HydrophobicContact CD1-CE2 3.39Å; I520-Y546 HydrophobicContact CG1-CD2 4.1Å; I520-Y546 HydrophobicContact CG1-CE2 3.91Å; F534-Y546 PolarHBondContact N-O 2.79Å; F534-Y546 VanDerWaalsContact N-O 3.16Å; F534-Y546 PolarHBondContact O-N 3.49Å; Y546-G549 VanDerWaalsContact CE2-CA 3.45Å; Y546-G549 WeakPolarHBondContact OH-CA 3.39Å; Y546-G549 PolarHBondContact OH-N 3.38Å; Y546-G549 VanDerWaalsContact OH-N 3.15Å; Y546-E550 WeakPolarHBondContact CA-O 3.31Å; Y546-E550 WeakPolarHBondContact CD2-O 3.37Å
547	V	86.8	Confident	88.7	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	116	171.4	-165.7	0	0	0	0	109.8	C533 Y545 G549 E550 Q595 M599	C533-V547 HydrophobicContact CB-CG2 4.3Å; Y545-V547 HydrophobicContact CD2-CG2 3.53Å; Y545-V547 HydrophobicContact CE2-CG2 3.51Å; V547-G549 PolarHBondContact O-N 3.28Å; V547-E550 PolarHBondContact N-O 3.03Å; V547-E550 PolarHBondContact O-N 3.37Å; V547-Q595 HydrophobicContact CG1-CB 4.29Å; V547-M599 HydrophobicContact CG1-CG 4.03Å
548	G	78.1	Confident	88.1	Confident	48 Å²	48	45.5 Å²	45.5	50%	0.495	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	16.3	165.8	0	0	0	0	0	117.5	M599	G548-M599 WeakPolarHBondContact O-CE 3.36Å
549	G	80.9	Confident	87.6	Confident	49 Å²	49	49.4 Å²	49.4	51%	0.505	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	125.1	-22.2	-178.4	0	0	0	0	0	113.4	Y546 V547	Y546-G549 VanDerWaalsContact CE2-CA 3.45Å; Y546-G549 WeakPolarHBondContact OH-CA 3.39Å; Y546-G549 PolarHBondContact OH-N 3.38Å; Y546-G549 VanDerWaalsContact OH-N 3.15Å; V547-G549 PolarHBondContact O-N 3.28Å
550	E	83.2	Confident	87.6	Confident	44 Å²	44	50.1 Å²	50.1	21%	0.206	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	148.3	178.9	-69.9	-165.4	117.1	0	0	112.8	Y546 V547 F624 K627 Q628	Y546-E550 WeakPolarHBondContact CA-O 3.31Å; Y546-E550 WeakPolarHBondContact CD2-O 3.37Å; V547-E550 PolarHBondContact N-O 3.03Å; V547-E550 PolarHBondContact O-N 3.37Å; E550-F624 WeakPolarHBondContact OE2-CD2 3.4Å; E550-F624 WeakPolarHBondContact OE2-CE2 3.36Å; E550-K627 WeakPolarHBondContact OE1-CB 3.12Å; E550-K627 WeakPolarHBondContact OE1-CD 3.41Å; E550-Q628 PolarHBondContact OE2-NE2 3.22Å
551	I	88.4	Confident	87.6	Confident	67 Å²	67	46.4 Å²	46.4	34%	0.344	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.9	171.2	-50.3	168.4	0	0	0	108.2	I520 E522 Y536 N544	I520-I551 HydrophobicContact CG2-CD1 3.52Å; I520-I551 HydrophobicContact CG2-CG1 4.26Å; E522-I551 HydrophobicContact CG-CD1 4.48Å; Y536-I551 VanDerWaalsContact OH-CG2 3.3Å; Y536-I551 WeakPolarHBondContact OH-CG2 3.47Å; N544-I551 HydrophobicContact CB-CG2 3.88Å
552	V	88.4	Confident	87.7	Confident	30 Å²	30	46.2 Å²	46.2	18%	0.182	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118	176	-178.1	0	0	0	0	109.4	Y545	Y545-V552 HydrophobicContact CD1-CB 4.01Å; Y545-V552 HydrophobicContact CD1-CG1 4.35Å; Y545-V552 VanDerWaalsContact CD1-O 3.24Å; Y545-V552 WeakPolarHBondContact CD1-O 3.26Å; Y545-V552 HydrophobicContact CE1-CB 3.53Å; Y545-V552 HydrophobicContact CE1-CG1 3.51Å; Y545-V552 HydrophobicContact CE2-CB 4.35Å; Y545-V552 PolarHBondContact N-O 3.23Å; Y545-V552 PolarHBondContact O-N 3.4Å
553	T	90.9	Very high	87.6	Confident	52 Å²	52	42.7 Å²	42.7	32%	0.319	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	135.4	172.1	-48.6	0	0	0	0	110.3	N544 R620	N544-T553 WeakPolarHBondContact OD1-CA 3.42Å; N544-T553 PolarHBondContact OD1-OG1 3.18Å; T553-R620 PolarHBondContact O-NH2 3.13Å
554	I	89.2	Confident	87.5	Confident	34 Å²	34	43.8 Å²	43.8	17%	0.174	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-52.1	169.8	-53.7	-179.1	0	0	0	109.3	I535 L543 Y545 F585 L587	I535-I554 HydrophobicContact CG2-CD1 4.44Å; L543-I554 HydrophobicContact CB-CB 4.49Å; L543-I554 HydrophobicContact CD2-CB 3.95Å; L543-I554 HydrophobicContact CD2-CD1 4.18Å; L543-I554 HydrophobicContact CD2-CG2 4.02Å; L543-I554 HydrophobicContact CG-CB 3.95Å; L543-I554 HydrophobicContact CG-CD1 4.07Å; L543-I554 HydrophobicContact CG-CG1 4.32Å; L543-I554 PolarHBondContact O-N 3.07Å; Y545-I554 HydrophobicContact CD1-CD1 3.8Å; Y545-I554 HydrophobicContact CD1-CG1 3.57Å; Y545-I554 HydrophobicContact CE1-CD1 4.46Å; Y545-I554 HydrophobicContact CE1-CG1 4Å; I554-F585 HydrophobicContact CG2-CB 4.47Å; I554-L587 HydrophobicContact CD1-CD1 3.98Å; I554-L587 HydrophobicContact CD1-CD2 3.8Å; I554-L587 HydrophobicContact CD1-CG 4.42Å
555	A	90	Very high	87.2	Confident	15 Å²	15	44.4 Å²	44.4	12%	0.124	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	155.7	-176.1	0	0	0	0	0	112	L543 L557 F585	L543-A555 HydrophobicContact CB-CB 4.47Å; L543-A555 PolarHBondContact N-O 3.41Å; L543-A555 PolarHBondContact O-N 3.08Å; A555-L557 HydrophobicContact CB-CD2 4.35Å; A555-F585 HydrophobicContact CB-CD1 3.85Å; A555-F585 HydrophobicContact CB-CE1 3.42Å; A555-F585 VanDerWaalsContact CB-CE1 3.42Å; A555-F585 HydrophobicContact CB-CZ 3.93Å
556	H	89.9	Confident	87.1	Confident	131 Å²	131	45.6 Å²	45.6	61%	0.606	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	143.5	162.3	-66	-99.1	0	0	0	108.3
557	L	87.2	Confident	87	Confident	23 Å²	23	45.5 Å²	45.5	12%	0.12	26%	0.259	C	S	.	.			trans	-125	127.7	-174.8	-48.4	168.3	0	0	0	109.9	T537 N541 L543 A555 R559 M561 L575 F585	T537-L557 HydrophobicContact CG2-CD1 4.43Å; N541-L557 HydrophobicContact CB-CB 4.29Å; N541-L557 WeakPolarHBondContact CB-O 3.45Å; N541-L557 WeakPolarHBondContact O-CB 3.35Å; N541-L557 WeakPolarHBondContact O-CG 3.41Å; N541-L557 PolarHBondContact O-N 3.38Å; L543-L557 HydrophobicContact CB-CD1 4.19Å; L543-L557 HydrophobicContact CB-CG 4.5Å; A555-L557 HydrophobicContact CB-CD2 4.35Å; L557-R559 PolarHBondContact O-N 2.84Å; L557-R559 VanDerWaalsContact O-N 3.13Å; L557-M561 HydrophobicContact CD1-CB 3.9Å; L557-M561 HydrophobicContact CD1-CG 4.03Å; L557-L575 HydrophobicContact CD1-CD2 4.39Å; L557-F585 HydrophobicContact CD2-CE1 4.44Å; L557-F585 HydrophobicContact CD2-CE2 3.6Å; L557-F585 HydrophobicContact CD2-CZ 3.4Å
558	D	81.6	Confident	86.9	Confident	165 Å²	165	49.5 Å²	49.5	88%	0.882	29%	0.285	S	S	*	.	S	Bend	trans	-66.1	-17.1	179.6	-46.2	-39.6	0	0	0	112.8
559	R	80.9	Confident	87.1	Confident	84 Å²	84	55.7 Å²	55.7	32%	0.317	30%	0.298	S	S	.	.	S	Bend	trans	-134.8	159.4	-171.1	-67.5	179.3	167.3	-143.3	-10.8	112.2	L557 M561 D577 E579	L557-R559 PolarHBondContact O-N 2.84Å; L557-R559 VanDerWaalsContact O-N 3.13Å; R559-M561 PolarHBondContact O-N 2.96Å; R559-D577 IonicContact NH1-OD2 3.45Å; R559-D577 PolarHBondContact NH1-OD2 2.95Å; R559-E579 IonicContact CZ-OE1 2.67Å; R559-E579 IonicContact CZ-OE2 2.69Å; R559-E579 IonicContact NH1-OE1 3.18Å; R559-E579 PolarHBondContact NH1-OE1 2.77Å; R559-E579 IonicContact NH1-OE2 3.44Å; R559-E579 PolarHBondContact NH1-OE2 3.1Å; R559-E579 IonicContact NH2-OE1 3.79Å; R559-E579 PolarHBondContact NH2-OE1 3.04Å
560	T	84.5	Confident	87.2	Confident	60 Å²	60	56.6 Å²	56.6	37%	0.368	29%	0.291	S	S	.	.			trans	-70.2	93.3	173.3	55.8	0	0	0	0	111
561	M	87.6	Confident	87.3	Confident	20 Å²	20	56.9 Å²	56.9	10%	0.099	30%	0.295	C	S	.	.			trans	-92.1	147.2	174.9	-65.6	-75	176.5	0	0	112	T537 L557 R559 L575 D577 V583	T537-M561 PolarHBondContact OG1-O 3.29Å; L557-M561 HydrophobicContact CD1-CB 3.9Å; L557-M561 HydrophobicContact CD1-CG 4.03Å; R559-M561 PolarHBondContact O-N 2.96Å; M561-L575 HydrophobicContact CB-CB 4.01Å; M561-L575 HydrophobicContact CB-CD2 3.65Å; M561-L575 HydrophobicContact CB-CG 4.48Å; M561-L575 HydrophobicContact SD-CB 4.38Å; M561-D577 HydrophobicContact CE-CB 4.12Å; M561-D577 HydrophobicContact SD-CB 3.79Å; M561-V583 HydrophobicContact CE-CB 4.35Å; M561-V583 HydrophobicContact CE-CG2 3.7Å
562	Y	90.3	Very high	87.3	Confident	33 Å²	33	55.9 Å²	55.9	13%	0.129	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.5	178.3	-66.1	-98.8	0	0	0	109.2	E302 E303 P304 T526 L564 L575 G576	E302-Y562 PolarHBondContact O-OH 2.88Å; E303-Y562 HydrophobicContact CB-CE1 4.25Å; E303-Y562 HydrophobicContact CG-CD1 4.46Å; E303-Y562 HydrophobicContact CG-CE1 3.68Å; P304-Y562 VanDerWaalsContact CD-CD2 3.44Å; P304-Y562 HydrophobicContact CG-CD2 3.81Å; P304-Y562 HydrophobicContact CG-CE2 4.34Å; P304-Y562 HydrophobicContact CG-CG 3.98Å; T526-Y562 HydrophobicContact CG2-CD1 3.59Å; T526-Y562 HydrophobicContact CG2-CE1 4.43Å; T526-Y562 HydrophobicContact CG2-CG 4.34Å; Y562-L564 PolarHBondContact O-N 2.73Å; Y562-L575 CarbonylContact O-C 3.59Å; Y562-L575 VanDerWaalsContact O-CA 3.24Å; Y562-L575 WeakPolarHBondContact O-CA 3.48Å; Y562-L575 WeakPolarHBondContact O-CB 3.24Å; Y562-G576 PolarHBondContact N-O 2.91Å; Y562-G576 PolarHBondContact O-N 3.15Å
563	L	91.8	Very high	87.5	Confident	24 Å²	24	54.5 Å²	54.5	13%	0.126	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	125	179.6	-77.4	158.8	0	0	0	110.9	T526 L528 T537 L543 L573 L575	T526-L563 PolarHBondContact OG1-N 2.77Å; L528-L563 HydrophobicContact CD2-CB 4.2Å; L528-L563 HydrophobicContact CD2-CD2 4.3Å; T537-L563 HydrophobicContact CG2-CD1 4.13Å; T537-L563 HydrophobicContact CG2-CG 4.07Å; L543-L563 HydrophobicContact CD1-CD2 4.21Å; L563-L573 HydrophobicContact CD2-CD1 3.9Å; L563-L573 HydrophobicContact CD2-CD2 3.62Å; L563-L573 HydrophobicContact CD2-CG 3.78Å; L563-L575 HydrophobicContact CD2-CD1 4.32Å; L563-L575 HydrophobicContact CD2-CD2 3.87Å; L563-L575 HydrophobicContact CD2-CG 3.8Å; L563-L575 HydrophobicContact CG-CD2 4.06Å; L563-L575 HydrophobicContact CG-CG 4.33Å
564	L	89.4	Confident	87.5	Confident	23 Å²	23	52.4 Å²	52.4	12%	0.12	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-37	177	-83	171.7	0	0	0	112.4	M306 M308 I314 Y562 Y574 I582	M306-L564 HydrophobicContact CB-CD2 4.15Å; M306-L564 HydrophobicContact CG-CD2 3.82Å; M306-L564 HydrophobicContact SD-CD1 4.06Å; M306-L564 HydrophobicContact SD-CD2 3.63Å; M306-L564 HydrophobicContact SD-CG 3.92Å; M308-L564 HydrophobicContact CB-CB 4.17Å; M308-L564 HydrophobicContact CB-CD2 4.38Å; M308-L564 HydrophobicContact CE-CB 4.35Å; I314-L564 HydrophobicContact CD1-CD1 4.06Å; I314-L564 HydrophobicContact CG2-CD1 4.11Å; I314-L564 HydrophobicContact CG2-CD2 4.2Å; Y562-L564 PolarHBondContact O-N 2.73Å; L564-Y574 PolarHBondContact N-O 3.5Å; L564-I582 HydrophobicContact CD1-CD1 4.31Å; L564-I582 HydrophobicContact CD1-CG1 3.99Å
565	G	88.3	Confident	87.6	Confident	14 Å²	14	50.8 Å²	50.8	14%	0.144	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.1	170.6	-176	0	0	0	0	0	112.6	M308 Y574	M308-G565 VanDerWaalsContact CE-CA 3.45Å; G565-Y574 PolarHBondContact N-O 2.86Å; G565-Y574 PolarHBondContact O-N 2.92Å
566	Y	90	Very high	87.6	Confident	26 Å²	26	50 Å²	50	10%	0.102	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.1	173.2	179.9	-102.9	0	0	0	109.6	V530 P568 D571 R572 L573 L587 V589	V530-Y566 HydrophobicContact CB-CD1 4.44Å; V530-Y566 HydrophobicContact CG1-CD1 3.83Å; V530-Y566 HydrophobicContact CG1-CE1 3.8Å; V530-Y566 HydrophobicContact CG2-CD1 3.65Å; V530-Y566 HydrophobicContact CG2-CD2 4.38Å; V530-Y566 HydrophobicContact CG2-CE1 4.36Å; V530-Y566 HydrophobicContact CG2-CG 3.66Å; Y566-P568 HydrophobicContact CD1-CG 3.85Å; Y566-P568 HydrophobicContact CE1-CB 4.11Å; Y566-P568 HydrophobicContact CE1-CG 3.78Å; Y566-D571 PolarHBondContact OH-OD1 2.83Å; Y566-R572 VanDerWaalsContact CD2-O 3.24Å; Y566-R572 WeakPolarHBondContact CD2-O 3.35Å; Y566-L573 HydrophobicContact CD2-CB 4.12Å; Y566-L573 HydrophobicContact CD2-CD1 3.99Å; Y566-L573 HydrophobicContact CG-CD1 4.42Å; Y566-L587 HydrophobicContact CE2-CB 4.27Å; Y566-L587 WeakPolarHBondContact CE2-O 3.48Å; Y566-L587 PolarHBondContact OH-O 2.86Å; Y566-V589 HydrophobicContact CE1-CG2 3.86Å; Y566-V589 WeakPolarHBondContact OH-CG2 3.29Å; Y566-V589 PolarHBondContact OH-N 2.87Å
567	I	88.6	Confident	87.5	Confident	10 Å²	10	44 Å²	44	5%	0.051	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	102	177.9	-55.2	-175.9	0	0	0	109.5	M308 L327 K569 D570 D571 R572 Y574	M308-I567 HydrophobicContact CE-CD1 4.26Å; M308-I567 HydrophobicContact CE-CG1 4.16Å; M308-I567 HydrophobicContact SD-CD1 4.29Å; L327-I567 HydrophobicContact CD1-CD1 3.65Å; I567-K569 HydrophobicContact CG2-CB 4.17Å; I567-K569 PolarHBondContact O-N 2.98Å; I567-D570 HydrophobicContact CB-CB 4.35Å; I567-D570 HydrophobicContact CG2-CB 4.28Å; I567-D570 WeakPolarHBondContact CG2-OD2 3.29Å; I567-D570 PolarHBondContact O-N 2.93Å; I567-D571 PolarHBondContact O-N 2.87Å; I567-R572 PolarHBondContact N-O 3.07Å; I567-Y574 HydrophobicContact CB-CE2 4.12Å; I567-Y574 HydrophobicContact CD1-CD2 4.04Å; I567-Y574 HydrophobicContact CD1-CE2 3.67Å; I567-Y574 HydrophobicContact CG1-CD2 4.04Å; I567-Y574 HydrophobicContact CG1-CE2 3.83Å
568	P	84.9	Confident	87.2	Confident	88 Å²	88	44.6 Å²	44.6	57%	0.571	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-2.9	-179.4	-23.8	32.7	0	0	0	116.2	Y566 V589	Y566-P568 HydrophobicContact CD1-CG 3.85Å; Y566-P568 HydrophobicContact CE1-CB 4.11Å; Y566-P568 HydrophobicContact CE1-CG 3.78Å; P568-V589 HydrophobicContact CB-CG2 4.09Å
569	K	83.5	Confident	87.2	Confident	178 Å²	178	41.4 Å²	41.4	77%	0.774	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-22.4	175.1	-65.4	-174.3	176.5	-175	0	113.1	I567	I567-K569 HydrophobicContact CG2-CB 4.17Å; I567-K569 PolarHBondContact O-N 2.98Å
570	D	82.3	Confident	87.3	Confident	67 Å²	67	39 Å²	39	36%	0.358	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-0.5	-172.1	-48.6	-12	0	0	0	109.7	I567 R572 Y574	I567-D570 HydrophobicContact CB-CB 4.35Å; I567-D570 HydrophobicContact CG2-CB 4.28Å; I567-D570 WeakPolarHBondContact CG2-OD2 3.29Å; I567-D570 PolarHBondContact O-N 2.93Å; D570-R572 HydrophobicContact CB-CB 4.25Å; D570-R572 WeakPolarHBondContact O-CB 3.36Å; D570-R572 VanDerWaalsContact O-CG 3.24Å; D570-R572 WeakPolarHBondContact O-CG 3.5Å; D570-R572 PolarHBondContact O-N 2.57Å; D570-R572 VanDerWaalsContact O-N 3.1Å; D570-Y574 PolarHBondContact OD2-OH 2.81Å
571	D	86.3	Confident	87.4	Confident	51 Å²	51	37.8 Å²	37.8	27%	0.273	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.4	36.3	-169.1	-84.3	-58	0	0	0	112.8	Y566 I567 L587 L588 V589	Y566-D571 PolarHBondContact OH-OD1 2.83Å; I567-D571 PolarHBondContact O-N 2.87Å; D571-L587 CarbonylContact O-C 3.58Å; D571-L587 PolarHBondContact O-N 2.87Å; D571-L588 HydrophobicContact CB-CG 4.18Å; D571-L588 VanDerWaalsContact OD1-CA 3.29Å; D571-L588 WeakPolarHBondContact OD1-CA 3.38Å; D571-V589 PolarHBondContact OD1-N 2.86Å
572	R	88.1	Confident	87.5	Confident	46 Å²	46	37 Å²	37	17%	0.174	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142	-169	-83.3	171.3	-172.7	-78.2	-6	114.1	I335 D337 Y566 I567 D570 Y574 S584 F585	I335-R572 PolarHBondContact O-NH1 2.89Å; I335-R572 PolarHBondContact O-NH2 2.95Å; D337-R572 IonicContact OD1-CZ 3.3Å; D337-R572 IonicContact OD1-NH1 3.86Å; D337-R572 PolarHBondContact OD1-NH1 2.91Å; D337-R572 IonicContact OD1-NH2 3.88Å; Y566-R572 VanDerWaalsContact CD2-O 3.24Å; Y566-R572 WeakPolarHBondContact CD2-O 3.35Å; I567-R572 PolarHBondContact N-O 3.07Å; D570-R572 HydrophobicContact CB-CB 4.25Å; D570-R572 WeakPolarHBondContact O-CB 3.36Å; D570-R572 VanDerWaalsContact O-CG 3.24Å; D570-R572 WeakPolarHBondContact O-CG 3.5Å; D570-R572 PolarHBondContact O-N 2.57Å; D570-R572 VanDerWaalsContact O-N 3.1Å; R572-Y574 HydrophobicContact CB-CE2 3.89Å; R572-S584 PolarHBondContact NH1-OG 3.02Å; R572-F585 WeakPolarHBondContact CA-O 3.27Å
573	L	91.2	Very high	87.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.5	172.4	-169.4	73.2	0	0	0	109.4	L528 I535 L543 L563 Y566 L575 S584 F585	L528-L573 HydrophobicContact CD1-CD1 4.18Å; L528-L573 HydrophobicContact CD2-CD1 4.01Å; I535-L573 HydrophobicContact CD1-CD1 4.07Å; I535-L573 HydrophobicContact CG2-CD1 4.3Å; I535-L573 HydrophobicContact CG2-CD2 3.67Å; L543-L573 HydrophobicContact CD1-CD2 3.76Å; L543-L573 HydrophobicContact CD2-CD2 3.84Å; L543-L573 HydrophobicContact CG-CD2 4.33Å; L563-L573 HydrophobicContact CD2-CD1 3.9Å; L563-L573 HydrophobicContact CD2-CD2 3.62Å; L563-L573 HydrophobicContact CD2-CG 3.78Å; Y566-L573 HydrophobicContact CD2-CB 4.12Å; Y566-L573 HydrophobicContact CD2-CD1 3.99Å; Y566-L573 HydrophobicContact CG-CD1 4.42Å; L573-L575 HydrophobicContact CD2-CD1 4.32Å; L573-L575 HydrophobicContact CG-CD1 4.41Å; L573-S584 CarbonylContact O-C 3.55Å; L573-S584 WeakPolarHBondContact O-CA 3.3Å; L573-F585 PolarHBondContact N-O 2.99Å; L573-F585 PolarHBondContact O-N 2.89Å
574	Y	91.4	Very high	87.4	Confident	8 Å²	8	34.5 Å²	34.5	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.5	-180	-63.8	-90.7	0	0	0	111.2	M308 L327 L341 L564 G565 I567 D570 R572 I582	M308-Y574 HydrophobicContact CE-CD2 4.15Å; M308-Y574 HydrophobicContact CE-CG 4.42Å; L327-Y574 HydrophobicContact CD1-CD1 3.72Å; L327-Y574 HydrophobicContact CD1-CD2 3.95Å; L327-Y574 HydrophobicContact CD1-CE1 3.68Å; L327-Y574 HydrophobicContact CD1-CE2 3.92Å; L327-Y574 HydrophobicContact CD1-CG 3.86Å; L327-Y574 HydrophobicContact CD2-CD1 3.96Å; L327-Y574 HydrophobicContact CD2-CE1 3.83Å; L327-Y574 HydrophobicContact CG-CE1 4.32Å; L341-Y574 HydrophobicContact CD1-CD1 3.94Å; L341-Y574 HydrophobicContact CD1-CE1 3.73Å; L564-Y574 PolarHBondContact N-O 3.5Å; G565-Y574 PolarHBondContact N-O 2.86Å; G565-Y574 PolarHBondContact O-N 2.92Å; I567-Y574 HydrophobicContact CB-CE2 4.12Å; I567-Y574 HydrophobicContact CD1-CD2 4.04Å; I567-Y574 HydrophobicContact CD1-CE2 3.67Å; I567-Y574 HydrophobicContact CG1-CD2 4.04Å; I567-Y574 HydrophobicContact CG1-CE2 3.83Å; D570-Y574 PolarHBondContact OD2-OH 2.81Å; R572-Y574 HydrophobicContact CB-CE2 3.89Å; Y574-I582 HydrophobicContact CD1-CG2 4.3Å
575	L	91.3	Very high	87.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151.2	175	-57.5	93	0	0	0	110.4	T537 L543 L557 M561 Y562 L563 L573 I582 V583 F585	T537-L575 HydrophobicContact CG2-CD2 3.67Å; L543-L575 HydrophobicContact CD1-CD2 4.41Å; L543-L575 HydrophobicContact CD2-CD1 4.36Å; L557-L575 HydrophobicContact CD1-CD2 4.39Å; M561-L575 HydrophobicContact CB-CB 4.01Å; M561-L575 HydrophobicContact CB-CD2 3.65Å; M561-L575 HydrophobicContact CB-CG 4.48Å; M561-L575 HydrophobicContact SD-CB 4.38Å; Y562-L575 CarbonylContact O-C 3.59Å; Y562-L575 VanDerWaalsContact O-CA 3.24Å; Y562-L575 WeakPolarHBondContact O-CA 3.48Å; Y562-L575 WeakPolarHBondContact O-CB 3.24Å; L563-L575 HydrophobicContact CD2-CD1 4.32Å; L563-L575 HydrophobicContact CD2-CD2 3.87Å; L563-L575 HydrophobicContact CD2-CG 3.8Å; L563-L575 HydrophobicContact CG-CD2 4.06Å; L563-L575 HydrophobicContact CG-CG 4.33Å; L573-L575 HydrophobicContact CD2-CD1 4.32Å; L573-L575 HydrophobicContact CG-CD1 4.41Å; L575-I582 CarbonylContact O-C 3.56Å; L575-I582 VanDerWaalsContact O-CA 3.28Å; L575-I582 WeakPolarHBondContact O-CA 3.4Å; L575-I582 WeakPolarHBondContact O-CG2 3.4Å; L575-V583 PolarHBondContact N-O 3.38Å; L575-V583 PolarHBondContact O-N 3.34Å; L575-F585 HydrophobicContact CD1-CD2 3.68Å; L575-F585 HydrophobicContact CD1-CE2 4.04Å
576	G	90.3	Very high	87.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.4	170.1	0	0	0	0	0	112.2	Y562 N581	Y562-G576 PolarHBondContact N-O 2.91Å; Y562-G576 PolarHBondContact O-N 3.15Å; G576-N581 CarbonylContact C-O 3.46Å; G576-N581 VanDerWaalsContact CA-O 3.29Å; G576-N581 WeakPolarHBondContact CA-O 3.34Å
577	D	87.4	Confident	87.3	Confident	5 Å²	5	34.6 Å²	34.6	3%	0.027	18%	0.175	C	C	.	.			trans	-94.9	178.6	165.7	76.8	6	0	0	0	111.8	M306 R559 M561 E579 L580 N581	M306-D577 VanDerWaalsContact CE-O 3.25Å; M306-D577 WeakPolarHBondContact CE-O 3.41Å; R559-D577 IonicContact NH1-OD2 3.45Å; R559-D577 PolarHBondContact NH1-OD2 2.95Å; M561-D577 HydrophobicContact CE-CB 4.12Å; M561-D577 HydrophobicContact SD-CB 3.79Å; D577-E579 VanDerWaalsContact C-N 3.33Å; D577-E579 WeakPolarHBondContact OD1-CA 3.48Å; D577-E579 WeakPolarHBondContact OD1-CB 3.29Å; D577-E579 PolarHBondContact OD1-N 3.16Å; D577-L580 PolarHBondContact O-N 2.77Å; D577-L580 PolarHBondContact OD1-N 2.86Å; D577-L580 VanDerWaalsContact OD1-N 3.15Å; D577-N581 VanDerWaalsContact CG-ND2 3.35Å; D577-N581 PolarHBondContact N-O 2.8Å; D577-N581 WeakPolarHBondContact OD1-CB 3.43Å; D577-N581 PolarHBondContact OD1-N 2.97Å; D577-N581 PolarHBondContact OD1-ND2 2.71Å; D577-N581 VanDerWaalsContact OD1-ND2 3.07Å; D577-N581 PolarHBondContact OD2-ND2 3.5Å
578	K	81.8	Confident	87.2	Confident	35 Å²	35	35.8 Å²	35.8	15%	0.152	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-19.1	179.4	-175.7	171.2	171.3	-131.3	0	114	G282 S283 N284 E302 L580	G282-K578 VanDerWaalsContact O-CD 3.26Å; G282-K578 WeakPolarHBondContact O-CD 3.21Å; G282-K578 WeakPolarHBondContact O-CE 3.34Å; G282-K578 PolarHBondContact O-NZ 3.4Å; S283-K578 VanDerWaalsContact CA-NZ 3.31Å; S283-K578 PolarHBondContact O-NZ 2.84Å; N284-K578 WeakPolarHBondContact OD1-CE 3.47Å; N284-K578 PolarHBondContact OD1-NZ 2.83Å; E302-K578 HydrophobicContact CB-CD 4.07Å; E302-K578 HydrophobicContact CG-CD 4.37Å; K578-L580 PolarHBondContact O-N 2.88Å
579	E	80.3	Confident	87.3	Confident	98 Å²	98	33.1 Å²	33.1	46%	0.458	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-2.6	168.8	-80.6	172.2	-151.6	0	0	112	R340 R559 D577 N581	R340-E579 IonicContact CZ-OE2 3.39Å; R340-E579 IonicContact NH1-OE2 3.52Å; R340-E579 PolarHBondContact NH1-OE2 2.88Å; R340-E579 IonicContact NH2-OE2 2.76Å; R559-E579 IonicContact CZ-OE1 2.67Å; R559-E579 IonicContact CZ-OE2 2.69Å; R559-E579 IonicContact NH1-OE1 3.18Å; R559-E579 PolarHBondContact NH1-OE1 2.77Å; R559-E579 IonicContact NH1-OE2 3.44Å; R559-E579 PolarHBondContact NH1-OE2 3.1Å; R559-E579 IonicContact NH2-OE1 3.79Å; R559-E579 PolarHBondContact NH2-OE1 3.04Å; D577-E579 VanDerWaalsContact C-N 3.33Å; D577-E579 WeakPolarHBondContact OD1-CA 3.48Å; D577-E579 WeakPolarHBondContact OD1-CB 3.29Å; D577-E579 PolarHBondContact OD1-N 3.16Å; E579-N581 VanDerWaalsContact C-N 3.25Å; E579-N581 WeakPolarHBondContact CB-ND2 3.49Å; E579-N581 PolarHBondContact O-N 2.81Å; E579-N581 PolarHBondContact OE2-ND2 2.8Å
580	L	83.6	Confident	87.5	Confident	34 Å²	34	25.8 Å²	25.8	18%	0.178	13%	0.134	C	C	.	.			trans	70	17	-174.8	-48.2	167.1	0	0	0	113.4	M306 W316 K318 D577 K578	M306-L580 HydrophobicContact CE-CD2 3.71Å; W316-L580 HydrophobicContact CB-CD2 4.1Å; W316-L580 HydrophobicContact CG-CD1 4.33Å; W316-L580 HydrophobicContact CG-CD2 3.99Å; K318-L580 HydrophobicContact CB-CD1 4.28Å; D577-L580 PolarHBondContact O-N 2.77Å; D577-L580 PolarHBondContact OD1-N 2.86Å; D577-L580 VanDerWaalsContact OD1-N 3.15Å; K578-L580 PolarHBondContact O-N 2.88Å
581	N	86.8	Confident	87.7	Confident	34 Å²	34	22.8 Å²	22.8	18%	0.182	12%	0.118	C	C	.	.			trans	-70.3	140.2	166.1	-52.3	-75.2	0	0	0	109	R340 G576 D577 E579	R340-N581 HydrophobicContact CG-CB 4.32Å; R340-N581 VanDerWaalsContact CZ-CG 3.45Å; R340-N581 VanDerWaalsContact CZ-ND2 3.3Å; R340-N581 PolarHBondContact NH1-ND2 3.27Å; R340-N581 PolarHBondContact NH1-OD1 2.98Å; G576-N581 CarbonylContact C-O 3.46Å; G576-N581 VanDerWaalsContact CA-O 3.29Å; G576-N581 WeakPolarHBondContact CA-O 3.34Å; D577-N581 VanDerWaalsContact CG-ND2 3.35Å; D577-N581 PolarHBondContact N-O 2.8Å; D577-N581 WeakPolarHBondContact OD1-CB 3.43Å; D577-N581 PolarHBondContact OD1-N 2.97Å; D577-N581 PolarHBondContact OD1-ND2 2.71Å; D577-N581 VanDerWaalsContact OD1-ND2 3.07Å; D577-N581 PolarHBondContact OD2-ND2 3.5Å; E579-N581 VanDerWaalsContact C-N 3.25Å; E579-N581 WeakPolarHBondContact CB-ND2 3.49Å; E579-N581 PolarHBondContact O-N 2.81Å; E579-N581 PolarHBondContact OE2-ND2 2.8Å
582	I	89.4	Confident	87.7	Confident	3 Å²	3	20.5 Å²	20.5	2%	0.015	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.7	175.1	-70.1	151.7	0	0	0	109.3	I314 W316 R340 L341 L343 L564 Y574 L575	I314-I582 HydrophobicContact CD1-CD1 3.53Å; I314-I582 HydrophobicContact CD1-CG1 4.42Å; I314-I582 HydrophobicContact CD1-CG2 4.43Å; I314-I582 HydrophobicContact CG2-CD1 4.39Å; W316-I582 HydrophobicContact CE3-CD1 4.24Å; W316-I582 HydrophobicContact CH2-CD1 4.12Å; W316-I582 HydrophobicContact CZ3-CD1 3.44Å; W316-I582 VanDerWaalsContact CZ3-CD1 3.44Å; R340-I582 WeakPolarHBondContact CA-O 3.16Å; L341-I582 HydrophobicContact CD1-CG2 3.93Å; L341-I582 PolarHBondContact N-O 2.99Å; L343-I582 HydrophobicContact CD1-CB 4Å; L343-I582 HydrophobicContact CD1-CD1 3.53Å; L343-I582 HydrophobicContact CD1-CG1 4.39Å; L343-I582 HydrophobicContact CD1-CG2 4.25Å; L564-I582 HydrophobicContact CD1-CD1 4.31Å; L564-I582 HydrophobicContact CD1-CG1 3.99Å; Y574-I582 HydrophobicContact CD1-CG2 4.3Å; L575-I582 CarbonylContact O-C 3.56Å; L575-I582 VanDerWaalsContact O-CA 3.28Å; L575-I582 WeakPolarHBondContact O-CA 3.4Å; L575-I582 WeakPolarHBondContact O-CG2 3.4Å
583	V	90.3	Very high	87.6	Confident	5 Å²	5	22.4 Å²	22.4	3%	0.03	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.8	-179.9	173	0	0	0	0	108.2	G338 R340 M561 L575 F585	G338-V583 VanDerWaalsContact C-CG1 3.49Å; G338-V583 VanDerWaalsContact CA-CG1 3.46Å; R340-V583 HydrophobicContact CG-CG2 4.48Å; M561-V583 HydrophobicContact CE-CB 4.35Å; M561-V583 HydrophobicContact CE-CG2 3.7Å; L575-V583 PolarHBondContact N-O 3.38Å; L575-V583 PolarHBondContact O-N 3.34Å; V583-F585 HydrophobicContact CG1-CD2 4.26Å; V583-F585 HydrophobicContact CG1-CE2 3.6Å; V583-F585 HydrophobicContact CG1-CZ 4.03Å
584	S	89.8	Confident	87.5	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	156.1	171.3	86.9	0	0	0	0	112.7	I335 D337 G338 R572 L573	I335-S584 VanDerWaalsContact CG2-OG 3.29Å; I335-S584 WeakPolarHBondContact CG2-OG 3.48Å; D337-S584 WeakPolarHBondContact CA-O 3.43Å; G338-S584 PolarHBondContact N-O 2.86Å; R572-S584 PolarHBondContact NH1-OG 3.02Å; L573-S584 CarbonylContact O-C 3.55Å; L573-S584 WeakPolarHBondContact O-CA 3.3Å
585	F	90.3	Very high	87.2	Confident	17 Å²	17	22.2 Å²	22.2	8%	0.075	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.2	168.8	-67.6	-88.6	0	0	0	109.6	D337 L543 I554 A555 L557 R572 L573 L575 V583	D337-F585 HydrophobicContact CB-CD1 3.92Å; D337-F585 HydrophobicContact CB-CE1 4.46Å; L543-F585 HydrophobicContact CD2-CB 4.27Å; L543-F585 HydrophobicContact CD2-CD2 3.79Å; L543-F585 HydrophobicContact CD2-CE2 4.33Å; L543-F585 HydrophobicContact CD2-CG 3.99Å; I554-F585 HydrophobicContact CG2-CB 4.47Å; A555-F585 HydrophobicContact CB-CD1 3.85Å; A555-F585 HydrophobicContact CB-CE1 3.42Å; A555-F585 VanDerWaalsContact CB-CE1 3.42Å; A555-F585 HydrophobicContact CB-CZ 3.93Å; L557-F585 HydrophobicContact CD2-CE1 4.44Å; L557-F585 HydrophobicContact CD2-CE2 3.6Å; L557-F585 HydrophobicContact CD2-CZ 3.4Å; R572-F585 WeakPolarHBondContact CA-O 3.27Å; L573-F585 PolarHBondContact N-O 2.99Å; L573-F585 PolarHBondContact O-N 2.89Å; L575-F585 HydrophobicContact CD1-CD2 3.68Å; L575-F585 HydrophobicContact CD1-CE2 4.04Å; V583-F585 HydrophobicContact CG1-CD2 4.26Å; V583-F585 HydrophobicContact CG1-CE2 3.6Å; V583-F585 HydrophobicContact CG1-CZ 4.03Å
586	S	88.2	Confident	86.9	Confident	41 Å²	41	23 Å²	23	29%	0.287	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	135.5	173.1	67.7	0	0	0	0	110.8	D337	D337-S586 PolarHBondContact OD1-N 3.11Å; D337-S586 VanDerWaalsContact OD2-CB 3.29Å; D337-S586 WeakPolarHBondContact OD2-CB 3.48Å; D337-S586 PolarHBondContact OD2-N 3.21Å; D337-S586 PolarHBondContact OD2-OG 2.92Å
587	L	87.8	Confident	86.7	Confident	6 Å²	6	23.1 Å²	23.1	3%	0.031	12%	0.122	C	C	.	.			trans	-157.6	97.8	177	-175.2	67.9	0	0	0	108.1	I535 Y545 I554 Y566 D571 L592	I535-L587 HydrophobicContact CD1-CD2 3.42Å; I535-L587 VanDerWaalsContact CD1-CD2 3.42Å; I535-L587 HydrophobicContact CG1-CD2 4.26Å; Y545-L587 HydrophobicContact CE1-CD1 4.43Å; I554-L587 HydrophobicContact CD1-CD1 3.98Å; I554-L587 HydrophobicContact CD1-CD2 3.8Å; I554-L587 HydrophobicContact CD1-CG 4.42Å; Y566-L587 HydrophobicContact CE2-CB 4.27Å; Y566-L587 WeakPolarHBondContact CE2-O 3.48Å; Y566-L587 PolarHBondContact OH-O 2.86Å; D571-L587 CarbonylContact O-C 3.58Å; D571-L587 PolarHBondContact O-N 2.87Å; L587-L592 HydrophobicContact CD1-CD2 4.2Å; L587-L592 HydrophobicContact CD2-CD1 3.91Å; L587-L592 HydrophobicContact CD2-CD2 4.32Å; L587-L592 HydrophobicContact CG-CD1 4.06Å; L587-L592 HydrophobicContact CG-CD2 4.32Å; L587-L592 HydrophobicContact CG-CG 4.32Å
588	L	87.1	Confident	86.6	Confident	35 Å²	35	22.9 Å²	22.9	18%	0.183	12%	0.121	C	C	.	.			trans	-70.2	131.6	-173.9	-72.8	111.8	0	0	0	112.6	D571 S590 V591 L592 P614	D571-L588 HydrophobicContact CB-CG 4.18Å; D571-L588 VanDerWaalsContact OD1-CA 3.29Å; D571-L588 WeakPolarHBondContact OD1-CA 3.38Å; L588-S590 PolarHBondContact O-N 2.9Å; L588-V591 HydrophobicContact CB-CG2 4.49Å; L588-V591 PolarHBondContact O-N 3.32Å; L588-L592 PolarHBondContact O-N 2.9Å; L588-P614 HydrophobicContact CD1-CG 4.48Å; L588-P614 HydrophobicContact CD2-CG 4.3Å
589	V	87	Confident	86.6	Confident	32 Å²	32	23.7 Å²	23.7	19%	0.194	13%	0.126	C	C	.	.	H	α-helix	trans	-51.7	-43.6	173.9	178.5	0	0	0	0	110.8	Y566 P568 D571 V591 L592 E593	Y566-V589 HydrophobicContact CE1-CG2 3.86Å; Y566-V589 WeakPolarHBondContact OH-CG2 3.29Å; Y566-V589 PolarHBondContact OH-N 2.87Å; P568-V589 HydrophobicContact CB-CG2 4.09Å; D571-V589 PolarHBondContact OD1-N 2.86Å; V589-V591 PolarHBondContact O-N 3.25Å; V589-V591 VanDerWaalsContact O-N 3.17Å; V589-L592 PolarHBondContact O-N 2.9Å; V589-L592 VanDerWaalsContact O-N 3.1Å; V589-E593 HydrophobicContact CG1-CG 3.82Å; V589-E593 PolarHBondContact O-N 2.95Å
590	S	86.2	Confident	86.7	Confident	25 Å²	25	26.1 Å²	26.1	18%	0.175	13%	0.131	C	C	.	.	H	α-helix	trans	-59.6	-28.6	-178.2	-64.1	0	0	0	0	114.3	L588 Y594 V609 T612	L588-S590 PolarHBondContact O-N 2.9Å; S590-Y594 VanDerWaalsContact O-CB 3.25Å; S590-Y594 WeakPolarHBondContact O-CB 3.42Å; S590-Y594 PolarHBondContact O-N 2.78Å; S590-Y594 VanDerWaalsContact O-N 3.11Å; S590-V609 WeakPolarHBondContact O-CG1 3.47Å; S590-T612 VanDerWaalsContact CB-OG1 3.23Å; S590-T612 WeakPolarHBondContact CB-OG1 3.44Å; S590-T612 PolarHBondContact OG-OG1 2.94Å
591	V	87.4	Confident	86.7	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-77.1	-42.2	175.9	173.8	0	0	0	0	110.6	L588 V589 Y594 Q595 I613 Q617 V621	L588-V591 HydrophobicContact CB-CG2 4.49Å; L588-V591 PolarHBondContact O-N 3.32Å; V589-V591 PolarHBondContact O-N 3.25Å; V589-V591 VanDerWaalsContact O-N 3.17Å; V591-Y594 PolarHBondContact O-N 3.16Å; V591-Q595 HydrophobicContact CG1-CG 4.49Å; V591-Q595 WeakPolarHBondContact O-CB 3.26Å; V591-Q595 VanDerWaalsContact O-CG 3.31Å; V591-Q595 WeakPolarHBondContact O-CG 3.44Å; V591-Q595 PolarHBondContact O-N 2.9Å; V591-I613 HydrophobicContact CG2-CD1 4.35Å; V591-I613 HydrophobicContact CG2-CG1 4.05Å; V591-I613 HydrophobicContact CG2-CG2 3.88Å; V591-Q617 HydrophobicContact CG2-CB 4.36Å; V591-V621 HydrophobicContact CG1-CG2 4.07Å; V591-V621 HydrophobicContact CG2-CG2 4.44Å
592	L	86.4	Confident	86.7	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-43.7	176	-61.2	-179.9	0	0	0	111.7	V530 C533 Y545 L587 L588 V589 Q595 T596	V530-L592 HydrophobicContact CB-CD1 4.07Å; V530-L592 HydrophobicContact CG1-CD1 3.77Å; C533-L592 HydrophobicContact CB-CD2 4.11Å; Y545-L592 HydrophobicContact CD2-CD2 3.78Å; Y545-L592 HydrophobicContact CE2-CD2 3.6Å; L587-L592 HydrophobicContact CD1-CD2 4.2Å; L587-L592 HydrophobicContact CD2-CD1 3.91Å; L587-L592 HydrophobicContact CD2-CD2 4.32Å; L587-L592 HydrophobicContact CG-CD1 4.06Å; L587-L592 HydrophobicContact CG-CD2 4.32Å; L587-L592 HydrophobicContact CG-CG 4.32Å; L588-L592 PolarHBondContact O-N 2.9Å; V589-L592 PolarHBondContact O-N 2.9Å; V589-L592 VanDerWaalsContact O-N 3.1Å; L592-Q595 PolarHBondContact O-N 3.08Å; L592-T596 VanDerWaalsContact O-CB 3.25Å; L592-T596 WeakPolarHBondContact O-CB 3.14Å; L592-T596 PolarHBondContact O-N 2.9Å; L592-T596 PolarHBondContact O-OG1 3.34Å
593	E	86.3	Confident	86.4	Confident	86 Å²	86	38.1 Å²	38.1	40%	0.402	18%	0.179	S	C	.	.	H	α-helix	trans	-62.6	-43.4	174.7	-75.4	-175.8	158.5	0	0	111.9	V589 T596 A597	V589-E593 HydrophobicContact CG1-CG 3.82Å; V589-E593 PolarHBondContact O-N 2.95Å; E593-T596 PolarHBondContact O-N 3.3Å; E593-A597 WeakPolarHBondContact O-CB 3.2Å; E593-A597 PolarHBondContact O-N 3.36Å
594	Y	88	Confident	86.3	Confident	1 Å²	1	39.8 Å²	39.8	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-48.2	177.2	-175.9	-83.4	0	0	0	111.6	S590 V591 T596 A597 V598 A606 L610 I613 V621 L625	S590-Y594 VanDerWaalsContact O-CB 3.25Å; S590-Y594 WeakPolarHBondContact O-CB 3.42Å; S590-Y594 PolarHBondContact O-N 2.78Å; S590-Y594 VanDerWaalsContact O-N 3.11Å; V591-Y594 PolarHBondContact O-N 3.16Å; Y594-T596 VanDerWaalsContact C-N 3.34Å; Y594-T596 PolarHBondContact O-N 3.43Å; Y594-A597 PolarHBondContact O-N 3.18Å; Y594-V598 HydrophobicContact CD1-CG2 4.01Å; Y594-V598 HydrophobicContact CE1-CG2 3.58Å; Y594-V598 WeakPolarHBondContact O-CG2 3.34Å; Y594-V598 PolarHBondContact O-N 2.71Å; Y594-A606 HydrophobicContact CD2-CB 3.82Å; Y594-A606 VanDerWaalsContact CD2-O 3.25Å; Y594-A606 WeakPolarHBondContact CD2-O 3.24Å; Y594-A606 HydrophobicContact CE2-CB 3.56Å; Y594-A606 VanDerWaalsContact CE2-O 3.27Å; Y594-A606 WeakPolarHBondContact CE2-O 3.16Å; Y594-L610 HydrophobicContact CD2-CB 4.35Å; Y594-L610 HydrophobicContact CE2-CB 3.96Å; Y594-L610 HydrophobicContact CE2-CD1 4.15Å; Y594-I613 HydrophobicContact CD2-CD1 4.01Å; Y594-I613 HydrophobicContact CG-CD1 3.85Å; Y594-V621 HydrophobicContact CD1-CG1 3.44Å; Y594-V621 VanDerWaalsContact CD1-CG1 3.44Å; Y594-V621 HydrophobicContact CE1-CG1 3.24Å; Y594-V621 HydrophobicContact CG-CG1 4.4Å; Y594-L625 HydrophobicContact CE1-CD1 4.17Å; Y594-L625 HydrophobicContact CE1-CD2 4.36Å; Y594-L625 HydrophobicContact CE1-CG 4.39Å
595	Q	86.2	Confident	86	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-42.5	177.7	-70.2	174.7	-44.4	0	0	111.3	Y545 V547 V591 L592 V598 M599 F624	Y545-Q595 PolarHBondContact OH-NE2 3.38Å; Y545-Q595 PolarHBondContact OH-OE1 2.88Å; V547-Q595 HydrophobicContact CG1-CB 4.29Å; V591-Q595 HydrophobicContact CG1-CG 4.49Å; V591-Q595 WeakPolarHBondContact O-CB 3.26Å; V591-Q595 VanDerWaalsContact O-CG 3.31Å; V591-Q595 WeakPolarHBondContact O-CG 3.44Å; V591-Q595 PolarHBondContact O-N 2.9Å; L592-Q595 PolarHBondContact O-N 3.08Å; Q595-V598 PolarHBondContact O-N 3.47Å; Q595-M599 WeakPolarHBondContact O-CG 3.37Å; Q595-M599 PolarHBondContact O-N 3.05Å; Q595-F624 HydrophobicContact CB-CD1 4.35Å; Q595-F624 HydrophobicContact CB-CE1 3.8Å; Q595-F624 HydrophobicContact CB-CZ 3.89Å; Q595-F624 HydrophobicContact CG-CD1 3.75Å; Q595-F624 HydrophobicContact CG-CD2 4.49Å; Q595-F624 HydrophobicContact CG-CE1 3.72Å; Q595-F624 HydrophobicContact CG-CE2 4.46Å; Q595-F624 HydrophobicContact CG-CG 4.13Å; Q595-F624 HydrophobicContact CG-CZ 4.08Å
596	T	84.3	Confident	85.8	Confident	17 Å²	17	43 Å²	43	10%	0.104	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-46.6	173.7	-62.6	0	0	0	0	112	D532 C533 L592 E593 Y594 V598 M599 R600	D532-T596 HydrophobicContact CB-CG2 3.66Å; D532-T596 WeakPolarHBondContact OD2-CG2 3.32Å; C533-T596 PolarHBondContact SG-OG1 2.96Å; L592-T596 VanDerWaalsContact O-CB 3.25Å; L592-T596 WeakPolarHBondContact O-CB 3.14Å; L592-T596 PolarHBondContact O-N 2.9Å; L592-T596 PolarHBondContact O-OG1 3.34Å; E593-T596 PolarHBondContact O-N 3.3Å; Y594-T596 VanDerWaalsContact C-N 3.34Å; Y594-T596 PolarHBondContact O-N 3.43Å; T596-V598 PolarHBondContact O-N 3.18Å; T596-M599 PolarHBondContact O-N 2.92Å; T596-R600 HydrophobicContact CG2-CG 4.49Å; T596-R600 WeakPolarHBondContact O-CB 3.47Å; T596-R600 WeakPolarHBondContact O-CG 3.26Å; T596-R600 PolarHBondContact O-N 3.43Å
597	A	85.6	Confident	85.7	Confident	3 Å²	3	45.8 Å²	45.8	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-39.8	178.5	0	0	0	0	0	112.3	E593 Y594 R600 R601 D602 M605 A606	E593-A597 WeakPolarHBondContact O-CB 3.2Å; E593-A597 PolarHBondContact O-N 3.36Å; Y594-A597 PolarHBondContact O-N 3.18Å; A597-R600 CarbonylContact O-C 3.49Å; A597-R600 PolarHBondContact O-N 2.96Å; A597-R601 PolarHBondContact O-N 3.43Å; A597-D602 PolarHBondContact O-N 2.72Å; A597-M605 HydrophobicContact CB-CB 4.29Å; A597-M605 HydrophobicContact CB-CG 4.33Å; A597-A606 HydrophobicContact CB-CB 4.07Å
598	V	86.1	Confident	85.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-44.9	174.1	167.7	0	0	0	0	111.6	Y594 Q595 T596 R600 R601 A606 F624 L625 F630	Y594-V598 HydrophobicContact CD1-CG2 4.01Å; Y594-V598 HydrophobicContact CE1-CG2 3.58Å; Y594-V598 WeakPolarHBondContact O-CG2 3.34Å; Y594-V598 PolarHBondContact O-N 2.71Å; Q595-V598 PolarHBondContact O-N 3.47Å; T596-V598 PolarHBondContact O-N 3.18Å; V598-R600 PolarHBondContact O-N 3.06Å; V598-R601 WeakPolarHBondContact O-CA 3.35Å; V598-R601 PolarHBondContact O-N 3.07Å; V598-A606 HydrophobicContact CG2-CB 4.2Å; V598-F624 HydrophobicContact CB-CE1 4.17Å; V598-F624 HydrophobicContact CG1-CE1 3.92Å; V598-L625 HydrophobicContact CG1-CD2 3.93Å; V598-L625 HydrophobicContact CG2-CD2 3.91Å; V598-F630 HydrophobicContact CG1-CD2 3.96Å; V598-F630 HydrophobicContact CG1-CE2 3.97Å
599	M	81.3	Confident	85.7	Confident	52 Å²	52	52.1 Å²	52.1	26%	0.256	25%	0.251	S	S	.	.	H	α-helix	trans	-67.1	-36.3	177.6	-62.5	-50.3	-83.5	0	0	112.4	V547 G548 Q595 T596 R601 F624 Q628	V547-M599 HydrophobicContact CG1-CG 4.03Å; G548-M599 WeakPolarHBondContact O-CE 3.36Å; Q595-M599 WeakPolarHBondContact O-CG 3.37Å; Q595-M599 PolarHBondContact O-N 3.05Å; T596-M599 PolarHBondContact O-N 2.92Å; M599-R601 PolarHBondContact O-N 2.83Å; M599-F624 HydrophobicContact CG-CZ 3.92Å; M599-F624 HydrophobicContact SD-CE1 4.48Å; M599-F624 HydrophobicContact SD-CE2 4.46Å; M599-F624 HydrophobicContact SD-CZ 3.72Å; M599-Q628 HydrophobicContact SD-CG 3.93Å
600	R	82.9	Confident	85.6	Confident	149 Å²	149	52.1 Å²	52.1	56%	0.562	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-6.1	169	-67.7	174.1	174.3	-146	0.3	113.4	D532 T596 A597 V598 D602	D532-R600 IonicContact OD1-CZ 3.32Å; D532-R600 IonicContact OD1-NH2 2.71Å; D532-R600 PolarHBondContact OD1-NH2 3.2Å; D532-R600 IonicContact OD2-CZ 2.71Å; D532-R600 IonicContact OD2-NE 2.73Å; D532-R600 PolarHBondContact OD2-NE 2.89Å; D532-R600 IonicContact OD2-NH2 2.92Å; D532-R600 PolarHBondContact OD2-NH2 3.44Å; T596-R600 HydrophobicContact CG2-CG 4.49Å; T596-R600 WeakPolarHBondContact O-CB 3.47Å; T596-R600 WeakPolarHBondContact O-CG 3.26Å; T596-R600 PolarHBondContact O-N 3.43Å; A597-R600 CarbonylContact O-C 3.49Å; A597-R600 PolarHBondContact O-N 2.96Å; V598-R600 PolarHBondContact O-N 3.06Å; R600-D602 PolarHBondContact O-N 2.88Å
601	R	83.3	Confident	85.7	Confident	191 Å²	191	55.3 Å²	55.3	72%	0.721	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	20.5	-175.3	-55.6	-178.7	178.9	-177.7	-1.1	115	A597 V598 M599 F603	A597-R601 PolarHBondContact O-N 3.43Å; V598-R601 WeakPolarHBondContact O-CA 3.35Å; V598-R601 PolarHBondContact O-N 3.07Å; M599-R601 PolarHBondContact O-N 2.83Å; R601-F603 HydrophobicContact CB-CE2 4.32Å; R601-F603 WeakPolarHBondContact O-CD2 3.47Å; R601-F603 PolarHBondContact O-N 3.32Å
602	D	87.3	Confident	85.6	Confident	78 Å²	78	59.2 Å²	59.2	42%	0.417	29%	0.294	S	S	.	.			trans	-88.9	77.1	172	-170.7	-2.8	0	0	0	111.1	A597 R600 G604 M605 A606	A597-D602 PolarHBondContact O-N 2.72Å; R600-D602 PolarHBondContact O-N 2.88Å; D602-G604 PolarHBondContact O-N 3.17Å; D602-G604 WeakPolarHBondContact OD1-CA 3.2Å; D602-G604 PolarHBondContact OD1-N 3Å; D602-M605 HydrophobicContact CB-CB 4.29Å; D602-M605 PolarHBondContact O-N 2.74Å; D602-M605 VanDerWaalsContact O-N 3.15Å; D602-M605 PolarHBondContact OD1-N 3.44Å; D602-M605 WeakPolarHBondContact OD2-CB 3.21Å; D602-A606 PolarHBondContact O-N 2.82Å
603	F	83.4	Confident	85.6	Confident	54 Å²	54	59.1 Å²	59.1	24%	0.237	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-25.7	171.8	-54.4	-67.7	0	0	0	112.4	R601 M605 A606 D607 F630	R601-F603 HydrophobicContact CB-CE2 4.32Å; R601-F603 WeakPolarHBondContact O-CD2 3.47Å; R601-F603 PolarHBondContact O-N 3.32Å; F603-M605 VanDerWaalsContact C-N 3.29Å; F603-M605 PolarHBondContact O-N 3.15Å; F603-A606 PolarHBondContact O-N 3.41Å; F603-D607 WeakPolarHBondContact O-CB 3.41Å; F603-D607 PolarHBondContact O-N 2.94Å; F603-F630 HydrophobicContact CZ-CD1 4.12Å; F603-F630 AromaticContact CZ-CE1 3.77Å; F603-F630 HydrophobicContact CZ-CE1 3.77Å; F603-F630 HydrophobicContact CZ-CE2 4.27Å; F603-F630 AromaticContact CZ-CZ 3.86Å; F603-F630 HydrophobicContact CZ-CZ 3.86Å
604	G	86.9	Confident	85.6	Confident	39 Å²	39	57.3 Å²	57.3	40%	0.402	29%	0.289	S	S	.	.	H	α-helix	trans	-72.8	-18.6	177	0	0	0	0	0	114	D602 K608	D602-G604 PolarHBondContact O-N 3.17Å; D602-G604 WeakPolarHBondContact OD1-CA 3.2Å; D602-G604 PolarHBondContact OD1-N 3Å; G604-K608 WeakPolarHBondContact O-CD 3.28Å; G604-K608 WeakPolarHBondContact O-CE 3.44Å; G604-K608 WeakPolarHBondContact O-CG 3.34Å; G604-K608 PolarHBondContact O-NZ 2.85Å
605	M	84.8	Confident	85.4	Confident	85 Å²	85	64.7 Å²	64.7	42%	0.419	32%	0.322	S	S	.	.	H	α-helix	trans	-88.5	-45.1	164.2	-177.2	166.5	176.2	0	0	110.9	A597 D602 F603 D607 K608 V609	A597-M605 HydrophobicContact CB-CB 4.29Å; A597-M605 HydrophobicContact CB-CG 4.33Å; D602-M605 HydrophobicContact CB-CB 4.29Å; D602-M605 PolarHBondContact O-N 2.74Å; D602-M605 VanDerWaalsContact O-N 3.15Å; D602-M605 PolarHBondContact OD1-N 3.44Å; D602-M605 WeakPolarHBondContact OD2-CB 3.21Å; F603-M605 VanDerWaalsContact C-N 3.29Å; F603-M605 PolarHBondContact O-N 3.15Å; M605-D607 PolarHBondContact O-N 3.4Å; M605-K608 WeakPolarHBondContact O-CB 3.34Å; M605-K608 PolarHBondContact O-N 2.86Å; M605-V609 PolarHBondContact O-N 2.93Å
606	A	84.9	Confident	85.2	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-55.7	-46.5	-179	0	0	0	0	0	112.7	Y594 A597 V598 D602 F603 K608 V609 L610	Y594-A606 HydrophobicContact CD2-CB 3.82Å; Y594-A606 VanDerWaalsContact CD2-O 3.25Å; Y594-A606 WeakPolarHBondContact CD2-O 3.24Å; Y594-A606 HydrophobicContact CE2-CB 3.56Å; Y594-A606 VanDerWaalsContact CE2-O 3.27Å; Y594-A606 WeakPolarHBondContact CE2-O 3.16Å; A597-A606 HydrophobicContact CB-CB 4.07Å; V598-A606 HydrophobicContact CG2-CB 4.2Å; D602-A606 PolarHBondContact O-N 2.82Å; F603-A606 PolarHBondContact O-N 3.41Å; A606-K608 PolarHBondContact O-N 3.01Å; A606-K608 VanDerWaalsContact O-N 3.15Å; A606-V609 PolarHBondContact O-N 2.89Å; A606-L610 PolarHBondContact O-N 3.47Å
607	D	85.8	Confident	85.2	Confident	99 Å²	99	74 Å²	74	53%	0.529	36%	0.364	S	S	.	.	H	α-helix	trans	-63.3	-20.9	178.9	-73.1	-15.8	0	0	0	113.7	F603 M605 P611	F603-D607 WeakPolarHBondContact O-CB 3.41Å; F603-D607 PolarHBondContact O-N 2.94Å; M605-D607 PolarHBondContact O-N 3.4Å; D607-P611 WeakPolarHBondContact O-CD 3.33Å
608	K	88.5	Confident	85.1	Confident	161 Å²	161	76.5 Å²	76.5	70%	0.7	37%	0.373	S	S	*	.	H	α-helix	trans	-83.9	-26.3	174.7	-61.9	172.2	-173.5	131.6	0	112.8	G604 M605 A606 P611	G604-K608 WeakPolarHBondContact O-CD 3.28Å; G604-K608 WeakPolarHBondContact O-CE 3.44Å; G604-K608 WeakPolarHBondContact O-CG 3.34Å; G604-K608 PolarHBondContact O-NZ 2.85Å; M605-K608 WeakPolarHBondContact O-CB 3.34Å; M605-K608 PolarHBondContact O-N 2.86Å; A606-K608 PolarHBondContact O-N 3.01Å; A606-K608 VanDerWaalsContact O-N 3.15Å; K608-P611 WeakPolarHBondContact O-CD 3.18Å
609	V	87.5	Confident	85.1	Confident	14 Å²	14	78.1 Å²	78.1	9%	0.085	38%	0.383	C	S	.	.	H	α-helix	trans	-87.6	-30.8	177.7	-179.4	0	0	0	0	111	S590 M605 A606 P611 T612	S590-V609 WeakPolarHBondContact O-CG1 3.47Å; M605-V609 PolarHBondContact O-N 2.93Å; A606-V609 PolarHBondContact O-N 2.89Å; V609-P611 VanDerWaalsContact C-N 3.27Å; V609-T612 PolarHBondContact O-N 2.77Å; V609-T612 PolarHBondContact O-OG1 2.89Å
610	L	85	Confident	85.2	Confident	32 Å²	32	79.9 Å²	79.9	17%	0.168	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-37.3	178.3	-175.1	63	0	0	0	115.5	Y594 A606 T612 I613 R618 V637	Y594-L610 HydrophobicContact CD2-CB 4.35Å; Y594-L610 HydrophobicContact CE2-CB 3.96Å; Y594-L610 HydrophobicContact CE2-CD1 4.15Å; A606-L610 PolarHBondContact O-N 3.47Å; L610-T612 PolarHBondContact O-N 3.1Å; L610-I613 PolarHBondContact O-N 2.92Å; L610-R618 PolarHBondContact O-NH2 2.87Å; L610-R618 VanDerWaalsContact O-NH2 3.1Å; L610-V637 HydrophobicContact CD1-CB 4.47Å; L610-V637 HydrophobicContact CD1-CG1 3.93Å; L610-V637 HydrophobicContact CD1-CG2 3.84Å; L610-V637 HydrophobicContact CD2-CG2 3.89Å
611	P	86.8	Confident	85.4	Confident	92 Å²	92	72.8 Å²	72.8	60%	0.597	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.4	176.6	-22.6	35.9	0	0	0	114.9	D607 K608 V609 R618	D607-P611 WeakPolarHBondContact O-CD 3.33Å; K608-P611 WeakPolarHBondContact O-CD 3.18Å; V609-P611 VanDerWaalsContact C-N 3.27Å; P611-R618 PolarHBondContact O-NH2 2.93Å
612	T	87.1	Confident	85.6	Confident	84 Å²	84	63.7 Å²	63.7	52%	0.515	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-22.2	-179.6	65.2	0	0	0	0	112.5	S590 V609 L610 P614	S590-T612 VanDerWaalsContact CB-OG1 3.23Å; S590-T612 WeakPolarHBondContact CB-OG1 3.44Å; S590-T612 PolarHBondContact OG-OG1 2.94Å; V609-T612 PolarHBondContact O-N 2.77Å; V609-T612 PolarHBondContact O-OG1 2.89Å; L610-T612 PolarHBondContact O-N 3.1Å; T612-P614 WeakPolarHBondContact O-CD 3.37Å
613	I	86	Confident	85.6	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.01	32%	0.323	C	S	.	.	S	Bend	trans	-69.7	122.2	179.6	-64.3	165.6	0	0	0	110.4	V591 Y594 L610 Q617 R618 V621	V591-I613 HydrophobicContact CG2-CD1 4.35Å; V591-I613 HydrophobicContact CG2-CG1 4.05Å; V591-I613 HydrophobicContact CG2-CG2 3.88Å; Y594-I613 HydrophobicContact CD2-CD1 4.01Å; Y594-I613 HydrophobicContact CG-CD1 3.85Å; L610-I613 PolarHBondContact O-N 2.92Å; I613-Q617 HydrophobicContact CG2-CB 4.24Å; I613-R618 HydrophobicContact CG2-CG 4.02Å; I613-R618 PolarHBondContact O-NE 2.81Å; I613-R618 PolarHBondContact O-NH2 3.24Å; I613-V621 HydrophobicContact CD1-CG2 4.44Å
614	P	86.1	Confident	85.8	Confident	49 Å²	49	61.6 Å²	61.6	32%	0.318	31%	0.314	S	S	.	.			trans	-57.8	146.5	175.1	-25	35	0	0	0	112.5	L588 T612 E616 Q617	L588-P614 HydrophobicContact CD1-CG 4.48Å; L588-P614 HydrophobicContact CD2-CG 4.3Å; T612-P614 WeakPolarHBondContact O-CD 3.37Å; P614-E616 VanDerWaalsContact C-N 3.3Å; P614-E616 PolarHBondContact O-N 3.47Å; P614-Q617 PolarHBondContact O-N 2.89Å; P614-Q617 VanDerWaalsContact O-N 3.1Å
615	K	83.4	Confident	85.8	Confident	156 Å²	156	59.8 Å²	59.8	68%	0.678	29%	0.294	S	S	*	.	H	α-helix	trans	-55.5	-42.2	-174.3	-72.2	-175.5	178.8	-179.8	0	113.2	Q617 R618	K615-Q617 PolarHBondContact O-N 2.98Å; K615-R618 WeakPolarHBondContact O-CB 3.25Å; K615-R618 PolarHBondContact O-N 3.43Å
616	E	82.8	Confident	86	Confident	173 Å²	173	57.5 Å²	57.5	81%	0.808	28%	0.283	S	S	*	.	H	α-helix	trans	-52.7	-37.9	178.6	-68.8	150.2	-145.3	0	0	113.1	P614	P614-E616 VanDerWaalsContact C-N 3.3Å; P614-E616 PolarHBondContact O-N 3.47Å
617	Q	82.9	Confident	86	Confident	41 Å²	41	64.8 Å²	64.8	19%	0.192	31%	0.314	C	S	.	.	H	α-helix	trans	-87.4	-6.3	-178.4	-57.4	-160.4	0.1	0	0	113.1	V591 I613 P614 K615 R620 V621	V591-Q617 HydrophobicContact CG2-CB 4.36Å; I613-Q617 HydrophobicContact CG2-CB 4.24Å; P614-Q617 PolarHBondContact O-N 2.89Å; P614-Q617 VanDerWaalsContact O-N 3.1Å; K615-Q617 PolarHBondContact O-N 2.98Å; Q617-R620 WeakPolarHBondContact O-CB 3.37Å; Q617-R620 PolarHBondContact O-N 3Å; Q617-V621 WeakPolarHBondContact O-CG2 3.43Å; Q617-V621 PolarHBondContact O-N 3.01Å; Q617-V621 VanDerWaalsContact O-N 3.1Å
618	R	85.1	Confident	86	Confident	56 Å²	56	62.6 Å²	62.6	21%	0.211	30%	0.301	C	S	.	.	H	α-helix	trans	-69.6	-32.8	179.4	-63.6	-176.7	-172.9	-157.3	-3.5	113	L610 P611 I613 K615 R620 V621 A622 V637 T639	L610-R618 PolarHBondContact O-NH2 2.87Å; L610-R618 VanDerWaalsContact O-NH2 3.1Å; P611-R618 PolarHBondContact O-NH2 2.93Å; I613-R618 HydrophobicContact CG2-CG 4.02Å; I613-R618 PolarHBondContact O-NE 2.81Å; I613-R618 PolarHBondContact O-NH2 3.24Å; K615-R618 WeakPolarHBondContact O-CB 3.25Å; K615-R618 PolarHBondContact O-N 3.43Å; R618-R620 VanDerWaalsContact C-N 3.32Å; R618-R620 PolarHBondContact O-N 3.32Å; R618-V621 PolarHBondContact O-N 2.8Å; R618-A622 WeakPolarHBondContact O-CB 3.44Å; R618-A622 PolarHBondContact O-N 3.33Å; R618-V637 HydrophobicContact CB-CG1 4.15Å; R618-T639 HydrophobicContact CB-CG2 4.43Å
619	T	85.6	Confident	85.9	Confident	34 Å²	34	57.3 Å²	57.3	21%	0.209	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-40.8	171.9	-49.5	0	0	0	0	111.1	V621 A622 H623 T639 D640	T619-V621 PolarHBondContact O-N 3.18Å; T619-A622 PolarHBondContact O-N 3.38Å; T619-H623 PolarHBondContact O-CD2 3.1Å; T619-H623 PolarHBondContact O-N 3.32Å; T619-T639 PolarHBondContact OG1-OG1 3.41Å; T619-D640 HydrophobicContact CG2-CB 4.07Å
620	R	83.5	Confident	86	Confident	88 Å²	88	59.4 Å²	59.4	33%	0.332	30%	0.3	S	S	.	.	H	α-helix	trans	-62.2	-42.6	173.9	-167.5	-176.8	-167.6	168.2	8.3	112.2	T553 Q617 R618 F624	T553-R620 PolarHBondContact O-NH2 3.13Å; Q617-R620 WeakPolarHBondContact O-CB 3.37Å; Q617-R620 PolarHBondContact O-N 3Å; R618-R620 VanDerWaalsContact C-N 3.32Å; R618-R620 PolarHBondContact O-N 3.32Å; R620-F624 PolarHBondContact O-N 2.97Å
621	V	86.4	Confident	86.2	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66	-36.8	175.1	176	0	0	0	0	111.6	V591 Y594 I613 Q617 R618 T619 F624 L625 V637	V591-V621 HydrophobicContact CG1-CG2 4.07Å; V591-V621 HydrophobicContact CG2-CG2 4.44Å; Y594-V621 HydrophobicContact CD1-CG1 3.44Å; Y594-V621 VanDerWaalsContact CD1-CG1 3.44Å; Y594-V621 HydrophobicContact CE1-CG1 3.24Å; Y594-V621 HydrophobicContact CG-CG1 4.4Å; I613-V621 HydrophobicContact CD1-CG2 4.44Å; Q617-V621 WeakPolarHBondContact O-CG2 3.43Å; Q617-V621 PolarHBondContact O-N 3.01Å; Q617-V621 VanDerWaalsContact O-N 3.1Å; R618-V621 PolarHBondContact O-N 2.8Å; T619-V621 PolarHBondContact O-N 3.18Å; V621-F624 WeakPolarHBondContact O-CB 3.37Å; V621-F624 PolarHBondContact O-N 3.16Å; V621-L625 HydrophobicContact CG1-CD1 4.2Å; V621-L625 WeakPolarHBondContact O-CG 3.3Å; V621-L625 PolarHBondContact O-N 3.33Å; V621-V637 HydrophobicContact CB-CG1 4.2Å; V621-V637 HydrophobicContact CG1-CG1 3.97Å
622	A	87.6	Confident	86.3	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-67.2	-42.2	177.1	0	0	0	0	0	112.7	R618 T619 F624 L625 E626 A634 V637	R618-A622 WeakPolarHBondContact O-CB 3.44Å; R618-A622 PolarHBondContact O-N 3.33Å; T619-A622 PolarHBondContact O-N 3.38Å; A622-F624 VanDerWaalsContact C-N 3.3Å; A622-F624 PolarHBondContact O-N 2.65Å; A622-L625 PolarHBondContact O-N 2.99Å; A622-E626 WeakPolarHBondContact O-CB 3.42Å; A622-E626 PolarHBondContact O-N 3.44Å; A622-A634 HydrophobicContact CB-CB 4.41Å; A622-A634 WeakPolarHBondContact O-CB 3.49Å; A622-V637 HydrophobicContact CB-CG1 4.41Å
623	H	87.7	Confident	86.3	Confident	80 Å²	80	62.6 Å²	62.6	37%	0.37	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-34.2	173.5	-70.6	-60.8	0	0	0	112.5	T619 E626 K627 H643	T619-H623 PolarHBondContact O-CD2 3.1Å; T619-H623 PolarHBondContact O-N 3.32Å; H623-E626 IonicContact ND1-OE2 2.67Å; H623-E626 PolarHBondContact O-N 2.77Å; H623-K627 WeakPolarHBondContact O-CG 3.25Å; H623-K627 PolarHBondContact O-N 2.87Å; H623-H643 AromaticContact CE1-CD2 3.4Å; H623-H643 PolarHBondContact CE1-CD2 3.32Å; H623-H643 VanDerWaalsContact CE1-CD2 3.4Å; H623-H643 AromaticContact CE1-CE1 3.61Å; H623-H643 AromaticContact CE1-CG 3.57Å; H623-H643 AromaticContact CE1-ND1 3.75Å; H623-H643 AromaticContact CE1-NE2 3.44Å; H623-H643 PolarHBondContact CE1-NE2 2.89Å; H623-H643 AromaticContact CG-CE1 3.86Å; H623-H643 AromaticContact ND1-CD2 3.64Å; H623-H643 AromaticContact ND1-CE1 3.36Å; H623-H643 PolarHBondContact ND1-CE1 2.84Å; H623-H643 AromaticContact ND1-ND1 3.95Å; H623-H643 AromaticContact ND1-NE2 3.16Å; H623-H643 PolarHBondContact ND1-NE2 2.78Å; H623-H643 VanDerWaalsContact ND1-NE2 3.16Å
624	F	86.8	Confident	86.4	Confident	9 Å²	9	62.5 Å²	62.5	4%	0.039	30%	0.299	C	S	.	.	H	α-helix	trans	-63	-48.7	171.3	173.8	-99.1	0	0	0	111.3	E550 Q595 V598 M599 R620 V621 A622 E626 K627 Q628	E550-F624 WeakPolarHBondContact OE2-CD2 3.4Å; E550-F624 WeakPolarHBondContact OE2-CE2 3.36Å; Q595-F624 HydrophobicContact CB-CD1 4.35Å; Q595-F624 HydrophobicContact CB-CE1 3.8Å; Q595-F624 HydrophobicContact CB-CZ 3.89Å; Q595-F624 HydrophobicContact CG-CD1 3.75Å; Q595-F624 HydrophobicContact CG-CD2 4.49Å; Q595-F624 HydrophobicContact CG-CE1 3.72Å; Q595-F624 HydrophobicContact CG-CE2 4.46Å; Q595-F624 HydrophobicContact CG-CG 4.13Å; Q595-F624 HydrophobicContact CG-CZ 4.08Å; V598-F624 HydrophobicContact CB-CE1 4.17Å; V598-F624 HydrophobicContact CG1-CE1 3.92Å; M599-F624 HydrophobicContact CG-CZ 3.92Å; M599-F624 HydrophobicContact SD-CE1 4.48Å; M599-F624 HydrophobicContact SD-CE2 4.46Å; M599-F624 HydrophobicContact SD-CZ 3.72Å; R620-F624 PolarHBondContact O-N 2.97Å; V621-F624 WeakPolarHBondContact O-CB 3.37Å; V621-F624 PolarHBondContact O-N 3.16Å; A622-F624 VanDerWaalsContact C-N 3.3Å; A622-F624 PolarHBondContact O-N 2.65Å; F624-E626 VanDerWaalsContact C-N 3.29Å; F624-E626 PolarHBondContact O-N 3.04Å; F624-K627 PolarHBondContact O-N 3.05Å; F624-Q628 HydrophobicContact CE1-CG 4.25Å; F624-Q628 HydrophobicContact CE2-CG 4.19Å; F624-Q628 HydrophobicContact CZ-CG 4.06Å; F624-Q628 WeakPolarHBondContact O-CG 3.29Å; F624-Q628 PolarHBondContact O-N 3.21Å
625	L	87.9	Confident	86.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-38.5	174.6	-73.7	164.7	0	0	0	112.6	Y594 V598 V621 A622 G629 F630 Q633 A634 V637	Y594-L625 HydrophobicContact CE1-CD1 4.17Å; Y594-L625 HydrophobicContact CE1-CD2 4.36Å; Y594-L625 HydrophobicContact CE1-CG 4.39Å; V598-L625 HydrophobicContact CG1-CD2 3.93Å; V598-L625 HydrophobicContact CG2-CD2 3.91Å; V621-L625 HydrophobicContact CG1-CD1 4.2Å; V621-L625 WeakPolarHBondContact O-CG 3.3Å; V621-L625 PolarHBondContact O-N 3.33Å; A622-L625 PolarHBondContact O-N 2.99Å; L625-G629 PolarHBondContact O-N 3.03Å; L625-F630 HydrophobicContact CB-CB 4.43Å; L625-F630 HydrophobicContact CD2-CB 4.07Å; L625-F630 HydrophobicContact CD2-CD2 4.39Å; L625-F630 WeakPolarHBondContact O-CA 3.06Å; L625-F630 PolarHBondContact O-N 3.33Å; L625-Q633 HydrophobicContact CD1-CB 4.23Å; L625-Q633 HydrophobicContact CD2-CB 4.29Å; L625-A634 HydrophobicContact CB-CB 3.79Å; L625-V637 HydrophobicContact CD1-CB 4.08Å; L625-V637 HydrophobicContact CD1-CG1 4.41Å; L625-V637 HydrophobicContact CD1-CG2 3.81Å
626	E	88.4	Confident	86.7	Confident	37 Å²	37	57.5 Å²	57.5	17%	0.173	29%	0.288	C	S	.	.	H	α-helix	trans	-64.2	-47.5	176.7	-179.4	178.6	-154.5	0	0	112.4	A622 H623 F624 Q628 G629 K631 A634 H643 L647 Q650	A622-E626 WeakPolarHBondContact O-CB 3.42Å; A622-E626 PolarHBondContact O-N 3.44Å; H623-E626 IonicContact ND1-OE2 2.67Å; H623-E626 PolarHBondContact O-N 2.77Å; F624-E626 VanDerWaalsContact C-N 3.29Å; F624-E626 PolarHBondContact O-N 3.04Å; E626-Q628 VanDerWaalsContact C-N 3.31Å; E626-Q628 PolarHBondContact O-N 2.96Å; E626-G629 WeakPolarHBondContact O-CA 3.4Å; E626-G629 PolarHBondContact O-N 3.2Å; E626-K631 HydrophobicContact CG-CG 4.45Å; E626-A634 HydrophobicContact CB-CB 4.36Å; E626-H643 IonicContact OE2-CD2 2.68Å; E626-H643 IonicContact OE2-CE1 3.34Å; E626-H643 IonicContact OE2-NE2 3.45Å; E626-H643 PolarHBondContact OE2-NE2 3.04Å; E626-L647 HydrophobicContact CB-CD2 4.15Å; E626-L647 HydrophobicContact CG-CD2 3.87Å; E626-Q650 PolarHBondContact OE1-NE2 2.73Å
627	K	86.2	Confident	87	Confident	153 Å²	153	49.7 Å²	49.7	67%	0.665	25%	0.253	S	S	*	.	H	α-helix	trans	-61.1	-40.2	177	-73.4	-179.4	179	-172.3	0	112.2	E550 H623 F624 G629	E550-K627 WeakPolarHBondContact OE1-CB 3.12Å; E550-K627 WeakPolarHBondContact OE1-CD 3.41Å; H623-K627 WeakPolarHBondContact O-CG 3.25Å; H623-K627 PolarHBondContact O-N 2.87Å; F624-K627 PolarHBondContact O-N 3.05Å; K627-G629 PolarHBondContact O-N 3.37Å
628	Q	85.6	Confident	87.2	Confident	54 Å²	54	48 Å²	48	25%	0.252	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-0.5	172.1	-63.2	-61.3	-28	0	0	113.6	E550 M599 F624 E626 F630	E550-Q628 PolarHBondContact OE2-NE2 3.22Å; M599-Q628 HydrophobicContact SD-CG 3.93Å; F624-Q628 HydrophobicContact CE1-CG 4.25Å; F624-Q628 HydrophobicContact CE2-CG 4.19Å; F624-Q628 HydrophobicContact CZ-CG 4.06Å; F624-Q628 WeakPolarHBondContact O-CG 3.29Å; F624-Q628 PolarHBondContact O-N 3.21Å; E626-Q628 VanDerWaalsContact C-N 3.31Å; E626-Q628 PolarHBondContact O-N 2.96Å; Q628-F630 VanDerWaalsContact C-N 3.33Å; Q628-F630 HydrophobicContact CB-CD2 3.66Å; Q628-F630 HydrophobicContact CB-CE2 3.89Å; Q628-F630 PolarHBondContact O-N 2.84Å
629	G	86.1	Confident	87.3	Confident	49 Å²	49	48.5 Å²	48.5	51%	0.505	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-2.3	176.8	0	0	0	0	0	115.2	L625 E626 K627 K631	L625-G629 PolarHBondContact O-N 3.03Å; E626-G629 WeakPolarHBondContact O-CA 3.4Å; E626-G629 PolarHBondContact O-N 3.2Å; K627-G629 PolarHBondContact O-N 3.37Å; G629-K631 PolarHBondContact O-N 2.79Å
630	F	89.6	Confident	87.5	Confident	59 Å²	59	49.3 Å²	49.3	26%	0.259	26%	0.258	S	S	.	.			trans	-80.8	48.3	-177.9	-59.5	-59.1	0	0	0	113.1	V598 F603 L625 Q628 Q632 Q633 A634	V598-F630 HydrophobicContact CG1-CD2 3.96Å; V598-F630 HydrophobicContact CG1-CE2 3.97Å; F603-F630 HydrophobicContact CZ-CD1 4.12Å; F603-F630 AromaticContact CZ-CE1 3.77Å; F603-F630 HydrophobicContact CZ-CE1 3.77Å; F603-F630 HydrophobicContact CZ-CE2 4.27Å; F603-F630 AromaticContact CZ-CZ 3.86Å; F603-F630 HydrophobicContact CZ-CZ 3.86Å; L625-F630 HydrophobicContact CB-CB 4.43Å; L625-F630 HydrophobicContact CD2-CB 4.07Å; L625-F630 HydrophobicContact CD2-CD2 4.39Å; L625-F630 WeakPolarHBondContact O-CA 3.06Å; L625-F630 PolarHBondContact O-N 3.33Å; Q628-F630 VanDerWaalsContact C-N 3.33Å; Q628-F630 HydrophobicContact CB-CD2 3.66Å; Q628-F630 HydrophobicContact CB-CE2 3.89Å; Q628-F630 PolarHBondContact O-N 2.84Å; F630-Q632 VanDerWaalsContact C-N 3.26Å; F630-Q632 PolarHBondContact O-N 3.06Å; F630-Q632 VanDerWaalsContact O-N 3.11Å; F630-Q633 HydrophobicContact CB-CB 4.41Å; F630-Q633 WeakPolarHBondContact O-CB 2.91Å; F630-Q633 PolarHBondContact O-N 3.45Å; F630-A634 PolarHBondContact O-N 2.82Å
631	K	89.8	Confident	87.8	Confident	72 Å²	72	48.5 Å²	48.5	31%	0.313	26%	0.264	S	S	.	.	H	α-helix	trans	-55.2	-34.2	-171.4	-60.5	-176.9	-178	-167.4	0	114.2	E626 G629 A634 L635 L647 Q650 L651	E626-K631 HydrophobicContact CG-CG 4.45Å; G629-K631 PolarHBondContact O-N 2.79Å; K631-A634 PolarHBondContact O-N 2.86Å; K631-L635 PolarHBondContact O-N 2.92Å; K631-L647 HydrophobicContact CB-CD2 4.16Å; K631-L647 HydrophobicContact CG-CD2 4.3Å; K631-Q650 HydrophobicContact CD-CB 4.4Å; K631-Q650 VanDerWaalsContact CE-OE1 3.24Å; K631-L651 HydrophobicContact CB-CD1 4.44Å; K631-L651 HydrophobicContact CB-CD2 3.9Å; K631-L651 HydrophobicContact CB-CG 4.17Å
632	Q	88.3	Confident	88	Confident	149 Å²	149	53.9 Å²	53.9	70%	0.696	29%	0.289	S	S	*	.	H	α-helix	trans	-64.4	-38.6	175.5	-69.6	-175	-17.9	0	0	112.9	F630 L651	F630-Q632 VanDerWaalsContact C-N 3.26Å; F630-Q632 PolarHBondContact O-N 3.06Å; F630-Q632 VanDerWaalsContact O-N 3.11Å; Q632-L651 HydrophobicContact CG-CD1 4.1Å; Q632-L651 HydrophobicContact CG-CD2 3.57Å; Q632-L651 HydrophobicContact CG-CG 4.5Å
633	Q	87	Confident	88.1	Confident	53 Å²	53	54.1 Å²	54.1	25%	0.248	29%	0.29	C	S	.	.	H	α-helix	trans	-75.5	-39.6	176	-67.7	168.3	-19.2	0	0	110.2	L625 F630 L635 A636 V637	L625-Q633 HydrophobicContact CD1-CB 4.23Å; L625-Q633 HydrophobicContact CD2-CB 4.29Å; F630-Q633 HydrophobicContact CB-CB 4.41Å; F630-Q633 WeakPolarHBondContact O-CB 2.91Å; F630-Q633 PolarHBondContact O-N 3.45Å; Q633-L635 VanDerWaalsContact C-N 3.3Å; Q633-L635 PolarHBondContact O-N 2.88Å; Q633-A636 PolarHBondContact O-N 2.86Å; Q633-A636 VanDerWaalsContact O-N 3.09Å; Q633-V637 WeakPolarHBondContact O-CG2 3.24Å; Q633-V637 PolarHBondContact O-N 2.83Å
634	A	88.8	Confident	88.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-54.5	-43.6	172.8	0	0	0	0	0	112.2	A622 L625 E626 F630 K631 A636 V637 S638 L647	A622-A634 HydrophobicContact CB-CB 4.41Å; A622-A634 WeakPolarHBondContact O-CB 3.49Å; L625-A634 HydrophobicContact CB-CB 3.79Å; E626-A634 HydrophobicContact CB-CB 4.36Å; F630-A634 PolarHBondContact O-N 2.82Å; K631-A634 PolarHBondContact O-N 2.86Å; A634-A636 VanDerWaalsContact C-N 3.27Å; A634-A636 PolarHBondContact O-N 2.8Å; A634-V637 PolarHBondContact O-N 2.8Å; A634-S638 VanDerWaalsContact O-CB 3.25Å; A634-S638 WeakPolarHBondContact O-CB 3.46Å; A634-S638 PolarHBondContact O-N 3.29Å; A634-L647 HydrophobicContact CB-CD1 3.64Å; A634-L647 HydrophobicContact CB-CD2 4.05Å
635	L	89.3	Confident	88.6	Confident	14 Å²	14	54 Å²	54	7%	0.073	29%	0.286	C	S	.	.	H	α-helix	trans	-65.2	-28.1	179	-179.5	60.8	0	0	0	113.5	K631 Q633 R644 L647 A648 L651 I656	K631-L635 PolarHBondContact O-N 2.92Å; Q633-L635 VanDerWaalsContact C-N 3.3Å; Q633-L635 PolarHBondContact O-N 2.88Å; L635-R644 HydrophobicContact CD1-CB 3.94Å; L635-R644 HydrophobicContact CD1-CG 4.2Å; L635-R644 VanDerWaalsContact CD1-O 3.24Å; L635-R644 WeakPolarHBondContact CD1-O 3.19Å; L635-R644 PolarHBondContact O-NE 2.93Å; L635-L647 HydrophobicContact CB-CB 4.24Å; L635-L647 HydrophobicContact CB-CD1 4.5Å; L635-L647 HydrophobicContact CD1-CB 4.11Å; L635-A648 HydrophobicContact CD1-CB 4.2Å; L635-A648 HydrophobicContact CD2-CB 4.3Å; L635-L651 HydrophobicContact CB-CD1 4.14Å; L635-L651 HydrophobicContact CD2-CD1 3.75Å; L635-I656 HydrophobicContact CD1-CG2 4.43Å; L635-I656 HydrophobicContact CD2-CD1 4.04Å
636	A	86.6	Confident	88.8	Confident	86 Å²	86	59 Å²	59	71%	0.711	31%	0.309	S	S	*	.	H	α-helix	trans	-85.7	-28.9	177.4	0	0	0	0	0	113.2	Q633 A634	Q633-A636 PolarHBondContact O-N 2.86Å; Q633-A636 VanDerWaalsContact O-N 3.09Å; A634-A636 VanDerWaalsContact C-N 3.27Å; A634-A636 PolarHBondContact O-N 2.8Å
637	V	88	Confident	89	Confident	9 Å²	9	57.2 Å²	57.2	6%	0.055	30%	0.301	C	S	.	.	H	α-helix	trans	-85.8	-39.1	178.6	172.1	0	0	0	0	112.2	L610 R618 V621 A622 L625 Q633 A634 T639	L610-V637 HydrophobicContact CD1-CB 4.47Å; L610-V637 HydrophobicContact CD1-CG1 3.93Å; L610-V637 HydrophobicContact CD1-CG2 3.84Å; L610-V637 HydrophobicContact CD2-CG2 3.89Å; R618-V637 HydrophobicContact CB-CG1 4.15Å; V621-V637 HydrophobicContact CB-CG1 4.2Å; V621-V637 HydrophobicContact CG1-CG1 3.97Å; A622-V637 HydrophobicContact CB-CG1 4.41Å; L625-V637 HydrophobicContact CD1-CB 4.08Å; L625-V637 HydrophobicContact CD1-CG1 4.41Å; L625-V637 HydrophobicContact CD1-CG2 3.81Å; Q633-V637 WeakPolarHBondContact O-CG2 3.24Å; Q633-V637 PolarHBondContact O-N 2.83Å; A634-V637 PolarHBondContact O-N 2.8Å; V637-T639 PolarHBondContact O-N 2.95Å
638	S	88.3	Confident	89.3	Confident	5 Å²	5	49.9 Å²	49.9	4%	0.035	27%	0.269	C	S	.	.			trans	-60.8	135.7	-176.7	-168.4	0	0	0	0	111.2	A634 H643 R644	A634-S638 VanDerWaalsContact O-CB 3.25Å; A634-S638 WeakPolarHBondContact O-CB 3.46Å; A634-S638 PolarHBondContact O-N 3.29Å; S638-H643 PolarHBondContact OG-ND1 2.94Å; S638-H643 VanDerWaalsContact OG-ND1 3.1Å; S638-R644 WeakPolarHBondContact O-CD 3.32Å; S638-R644 PolarHBondContact O-NE 3.23Å
639	T	86.8	Confident	89.6	Confident	68 Å²	68	48.8 Å²	48.8	42%	0.417	27%	0.265	S	S	.	.			trans	-103.4	-13.2	176.2	42.4	0	0	0	0	113.1	R618 T619 V637	R618-T639 HydrophobicContact CB-CG2 4.43Å; T619-T639 PolarHBondContact OG1-OG1 3.41Å; V637-T639 PolarHBondContact O-N 2.95Å
640	D	89.3	Confident	89.8	Confident	50 Å²	50	50.5 Å²	50.5	27%	0.267	26%	0.26	S	S	.	.			trans	-80.8	124.8	-179.6	166.9	38.1	0	0	0	111.4	T619 E642 H643 R644	T619-D640 HydrophobicContact CG2-CB 4.07Å; D640-E642 VanDerWaalsContact C-N 3.27Å; D640-E642 PolarHBondContact O-N 2.85Å; D640-E642 PolarHBondContact OD1-N 2.92Å; D640-E642 VanDerWaalsContact OD1-N 3.09Å; D640-H643 HydrophobicContact CB-CB 4.23Å; D640-H643 WeakPolarHBondContact OD2-CB 3.38Å; D640-H643 PolarHBondContact OD2-N 2.98Å; D640-R644 VanDerWaalsContact O-CB 3.26Å; D640-R644 WeakPolarHBondContact O-CB 3.35Å; D640-R644 WeakPolarHBondContact O-CG 3.21Å; D640-R644 PolarHBondContact O-N 2.87Å
641	P	89.7	Confident	89.8	Confident	71 Å²	71	50 Å²	50	46%	0.461	26%	0.26	S	S	.	.	H	α-helix	trans	-56.7	-33.6	175	-26.4	36.2	0	0	0	114.7	F645 L660	P641-F645 WeakPolarHBondContact O-CB 3.04Å; P641-F645 PolarHBondContact O-N 2.85Å; P641-L660 HydrophobicContact CB-CD2 4.14Å
642	E	89.6	Confident	89.8	Confident	113 Å²	113	46.9 Å²	46.9	53%	0.528	25%	0.248	S	C	.	.	H	α-helix	trans	-75.2	-53.8	-174.6	-51.5	-144.9	112.6	0	0	111.2	D640 R644 F645 E646 K669	D640-E642 VanDerWaalsContact C-N 3.27Å; D640-E642 PolarHBondContact O-N 2.85Å; D640-E642 PolarHBondContact OD1-N 2.92Å; D640-E642 VanDerWaalsContact OD1-N 3.09Å; E642-R644 VanDerWaalsContact C-N 3.28Å; E642-R644 PolarHBondContact O-N 2.82Å; E642-F645 WeakPolarHBondContact O-CA 3.32Å; E642-F645 WeakPolarHBondContact O-CB 3.43Å; E642-F645 PolarHBondContact O-N 3.25Å; E642-E646 PolarHBondContact O-N 2.87Å; E642-K669 IonicContact OE1-NZ 3.6Å; E642-K669 PolarHBondContact OE1-NZ 3.06Å
643	H	91	Very high	90	Very high	5 Å²	5	44.2 Å²	44.2	2%	0.023	24%	0.236	C	C	.	.	H	α-helix	trans	-58.9	-37.8	173.5	-176.6	-139	0	0	0	112.5	H623 E626 S638 D640 F645 E646 L647	H623-H643 AromaticContact CE1-CD2 3.4Å; H623-H643 PolarHBondContact CE1-CD2 3.32Å; H623-H643 VanDerWaalsContact CE1-CD2 3.4Å; H623-H643 AromaticContact CE1-CE1 3.61Å; H623-H643 AromaticContact CE1-CG 3.57Å; H623-H643 AromaticContact CE1-ND1 3.75Å; H623-H643 AromaticContact CE1-NE2 3.44Å; H623-H643 PolarHBondContact CE1-NE2 2.89Å; H623-H643 AromaticContact CG-CE1 3.86Å; H623-H643 AromaticContact ND1-CD2 3.64Å; H623-H643 AromaticContact ND1-CE1 3.36Å; H623-H643 PolarHBondContact ND1-CE1 2.84Å; H623-H643 AromaticContact ND1-ND1 3.95Å; H623-H643 AromaticContact ND1-NE2 3.16Å; H623-H643 PolarHBondContact ND1-NE2 2.78Å; H623-H643 VanDerWaalsContact ND1-NE2 3.16Å; E626-H643 IonicContact OE2-CD2 2.68Å; E626-H643 IonicContact OE2-CE1 3.34Å; E626-H643 IonicContact OE2-NE2 3.45Å; E626-H643 PolarHBondContact OE2-NE2 3.04Å; S638-H643 PolarHBondContact OG-ND1 2.94Å; S638-H643 VanDerWaalsContact OG-ND1 3.1Å; D640-H643 HydrophobicContact CB-CB 4.23Å; D640-H643 WeakPolarHBondContact OD2-CB 3.38Å; D640-H643 PolarHBondContact OD2-N 2.98Å; H643-F645 VanDerWaalsContact C-N 3.33Å; H643-F645 PolarHBondContact O-N 3.06Å; H643-E646 PolarHBondContact O-N 2.69Å; H643-L647 WeakPolarHBondContact O-CB 3.44Å; H643-L647 VanDerWaalsContact O-CG 3.26Å; H643-L647 WeakPolarHBondContact O-CG 3.18Å; H643-L647 PolarHBondContact O-N 3.28Å
644	R	91.5	Very high	90.1	Very high	84 Å²	84	42.1 Å²	42.1	32%	0.317	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-35.7	172.7	-72.9	179.1	90.2	-141.2	-3.8	112.6	L635 S638 D640 E642 A648 L660	L635-R644 HydrophobicContact CD1-CB 3.94Å; L635-R644 HydrophobicContact CD1-CG 4.2Å; L635-R644 VanDerWaalsContact CD1-O 3.24Å; L635-R644 WeakPolarHBondContact CD1-O 3.19Å; L635-R644 PolarHBondContact O-NE 2.93Å; S638-R644 WeakPolarHBondContact O-CD 3.32Å; S638-R644 PolarHBondContact O-NE 3.23Å; D640-R644 VanDerWaalsContact O-CB 3.26Å; D640-R644 WeakPolarHBondContact O-CB 3.35Å; D640-R644 WeakPolarHBondContact O-CG 3.21Å; D640-R644 PolarHBondContact O-N 2.87Å; E642-R644 VanDerWaalsContact C-N 3.28Å; E642-R644 PolarHBondContact O-N 2.82Å; R644-A648 WeakPolarHBondContact O-CB 3.2Å; R644-A648 PolarHBondContact O-N 3.5Å; R644-L660 HydrophobicContact CB-CD1 3.75Å
645	F	92.7	Very high	90.2	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-66.4	-48.4	176.4	176.1	-101	0	0	0	110.4	P641 E642 H643 L647 A648 L649 A657 L660 A661 K669 L673	P641-F645 WeakPolarHBondContact O-CB 3.04Å; P641-F645 PolarHBondContact O-N 2.85Å; E642-F645 WeakPolarHBondContact O-CA 3.32Å; E642-F645 WeakPolarHBondContact O-CB 3.43Å; E642-F645 PolarHBondContact O-N 3.25Å; H643-F645 VanDerWaalsContact C-N 3.33Å; H643-F645 PolarHBondContact O-N 3.06Å; F645-L647 PolarHBondContact O-N 3.33Å; F645-A648 CarbonylContact O-C 3.55Å; F645-A648 PolarHBondContact O-N 2.94Å; F645-L649 HydrophobicContact CD1-CD1 4.1Å; F645-L649 HydrophobicContact CD1-CG 4.38Å; F645-L649 HydrophobicContact CE1-CD1 3.47Å; F645-L649 VanDerWaalsContact CE1-CD1 3.47Å; F645-L649 HydrophobicContact CE1-CD2 4.41Å; F645-L649 HydrophobicContact CE1-CG 3.97Å; F645-L649 HydrophobicContact CE2-CD2 4.2Å; F645-L649 HydrophobicContact CE2-CG 4.37Å; F645-L649 HydrophobicContact CZ-CD1 3.77Å; F645-L649 HydrophobicContact CZ-CD2 3.88Å; F645-L649 HydrophobicContact CZ-CG 3.94Å; F645-L649 WeakPolarHBondContact O-CG 3.22Å; F645-L649 PolarHBondContact O-N 3.02Å; F645-A657 HydrophobicContact CD2-CB 4.07Å; F645-A657 WeakPolarHBondContact CD2-O 3.19Å; F645-A657 HydrophobicContact CE2-CB 3.95Å; F645-A657 WeakPolarHBondContact CE2-O 3.34Å; F645-L660 HydrophobicContact CB-CB 4.19Å; F645-L660 HydrophobicContact CB-CD1 4.06Å; F645-L660 HydrophobicContact CD2-CB 4.06Å; F645-A661 HydrophobicContact CE2-CB 4.14Å; F645-K669 HydrophobicContact CD1-CB 4.39Å; F645-K669 HydrophobicContact CD1-CD 4.12Å; F645-K669 HydrophobicContact CD1-CG 4.06Å; F645-K669 HydrophobicContact CE1-CB 3.67Å; F645-K669 HydrophobicContact CE1-CD 4.23Å; F645-K669 HydrophobicContact CE1-CG 3.69Å; F645-K669 HydrophobicContact CE2-CB 4.26Å; F645-K669 HydrophobicContact CZ-CB 3.61Å; F645-K669 HydrophobicContact CZ-CG 4.17Å; F645-K669 WeakPolarHBondContact CZ-O 3.13Å; F645-L673 HydrophobicContact CZ-CB 4.39Å
646	E	91.6	Very high	90.2	Very high	103 Å²	103	51.8 Å²	51.8	48%	0.481	27%	0.269	S	S	.	.	H	α-helix	trans	-59.6	-47.6	175.6	-66.5	-170.2	158.2	0	0	112.4	E642 H643 A648 L649 Q650	E642-E646 PolarHBondContact O-N 2.87Å; H643-E646 PolarHBondContact O-N 2.69Å; E646-A648 VanDerWaalsContact C-N 3.31Å; E646-A648 PolarHBondContact O-N 3.09Å; E646-L649 WeakPolarHBondContact O-CB 3.49Å; E646-L649 PolarHBondContact O-N 3.1Å; E646-L649 VanDerWaalsContact O-N 3.1Å; E646-Q650 VanDerWaalsContact O-CG 3.29Å; E646-Q650 WeakPolarHBondContact O-CG 3.44Å; E646-Q650 PolarHBondContact O-N 3.25Å
647	L	92.5	Very high	90.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-39.6	175.6	-74.5	171.1	0	0	0	112.3	E626 K631 A634 L635 H643 F645 L649 Q650 L651	E626-L647 HydrophobicContact CB-CD2 4.15Å; E626-L647 HydrophobicContact CG-CD2 3.87Å; K631-L647 HydrophobicContact CB-CD2 4.16Å; K631-L647 HydrophobicContact CG-CD2 4.3Å; A634-L647 HydrophobicContact CB-CD1 3.64Å; A634-L647 HydrophobicContact CB-CD2 4.05Å; L635-L647 HydrophobicContact CB-CB 4.24Å; L635-L647 HydrophobicContact CB-CD1 4.5Å; L635-L647 HydrophobicContact CD1-CB 4.11Å; H643-L647 WeakPolarHBondContact O-CB 3.44Å; H643-L647 VanDerWaalsContact O-CG 3.26Å; H643-L647 WeakPolarHBondContact O-CG 3.18Å; H643-L647 PolarHBondContact O-N 3.28Å; F645-L647 PolarHBondContact O-N 3.33Å; L647-L649 VanDerWaalsContact C-N 3.35Å; L647-Q650 PolarHBondContact O-N 3.16Å; L647-L651 WeakPolarHBondContact O-CB 3.24Å; L647-L651 VanDerWaalsContact O-CG 3.31Å; L647-L651 WeakPolarHBondContact O-CG 3.36Å; L647-L651 PolarHBondContact O-N 2.85Å
648	A	92.5	Very high	90.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-35.7	174.4	0	0	0	0	0	111.8	L635 R644 F645 E646 G652 E653 I656 A657	L635-A648 HydrophobicContact CD1-CB 4.2Å; L635-A648 HydrophobicContact CD2-CB 4.3Å; R644-A648 WeakPolarHBondContact O-CB 3.2Å; R644-A648 PolarHBondContact O-N 3.5Å; F645-A648 CarbonylContact O-C 3.55Å; F645-A648 PolarHBondContact O-N 2.94Å; E646-A648 VanDerWaalsContact C-N 3.31Å; E646-A648 PolarHBondContact O-N 3.09Å; A648-G652 CarbonylContact O-C 3.6Å; A648-G652 VanDerWaalsContact O-CA 3.29Å; A648-G652 WeakPolarHBondContact O-CA 3.47Å; A648-G652 PolarHBondContact O-N 3.46Å; A648-E653 HydrophobicContact CB-CB 4.41Å; A648-E653 PolarHBondContact O-N 2.84Å; A648-I656 HydrophobicContact CB-CB 4.24Å; A648-I656 HydrophobicContact CB-CG2 4.1Å; A648-A657 HydrophobicContact CB-CB 3.99Å
649	L	91.8	Very high	90.8	Very high	30 Å²	30	56.2 Å²	56.2	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-47.9	172	-67.6	-178	0	0	0	111.6	F645 E646 L647 L651 G652 A657 Q672 L673 L676	F645-L649 HydrophobicContact CD1-CD1 4.1Å; F645-L649 HydrophobicContact CD1-CG 4.38Å; F645-L649 HydrophobicContact CE1-CD1 3.47Å; F645-L649 VanDerWaalsContact CE1-CD1 3.47Å; F645-L649 HydrophobicContact CE1-CD2 4.41Å; F645-L649 HydrophobicContact CE1-CG 3.97Å; F645-L649 HydrophobicContact CE2-CD2 4.2Å; F645-L649 HydrophobicContact CE2-CG 4.37Å; F645-L649 HydrophobicContact CZ-CD1 3.77Å; F645-L649 HydrophobicContact CZ-CD2 3.88Å; F645-L649 HydrophobicContact CZ-CG 3.94Å; F645-L649 WeakPolarHBondContact O-CG 3.22Å; F645-L649 PolarHBondContact O-N 3.02Å; E646-L649 WeakPolarHBondContact O-CB 3.49Å; E646-L649 PolarHBondContact O-N 3.1Å; E646-L649 VanDerWaalsContact O-N 3.1Å; L647-L649 VanDerWaalsContact C-N 3.35Å; L649-L651 VanDerWaalsContact C-N 3.32Å; L649-L651 PolarHBondContact O-N 2.99Å; L649-G652 WeakPolarHBondContact O-CA 3.41Å; L649-G652 PolarHBondContact O-N 2.62Å; L649-A657 HydrophobicContact CD2-CB 4.12Å; L649-Q672 HydrophobicContact CD1-CB 3.74Å; L649-L673 HydrophobicContact CD2-CB 4.46Å; L649-L673 HydrophobicContact CD2-CD1 4.21Å; L649-L676 HydrophobicContact CB-CD2 4.22Å; L649-L676 HydrophobicContact CD2-CB 4.38Å; L649-L676 HydrophobicContact CD2-CD2 3.42Å; L649-L676 VanDerWaalsContact CD2-CD2 3.42Å; L649-L676 HydrophobicContact CG-CD2 4.41Å
650	Q	90.6	Very high	90.9	Very high	86 Å²	86	53.4 Å²	53.4	40%	0.402	25%	0.254	S	S	.	.	H	α-helix	trans	-62.7	-34	-179	-68.6	179.3	46	0	0	113.3	E626 K631 E646 L647	E626-Q650 PolarHBondContact OE1-NE2 2.73Å; K631-Q650 HydrophobicContact CD-CB 4.4Å; K631-Q650 VanDerWaalsContact CE-OE1 3.24Å; E646-Q650 VanDerWaalsContact O-CG 3.29Å; E646-Q650 WeakPolarHBondContact O-CG 3.44Å; E646-Q650 PolarHBondContact O-N 3.25Å; L647-Q650 PolarHBondContact O-N 3.16Å
651	L	90.8	Very high	91	Very high	49 Å²	49	51 Å²	51	26%	0.257	24%	0.241	S	C	.	.	H	α-helix	trans	-81.3	-20.6	170.9	-67.7	168.1	0	0	0	112.4	K631 Q632 L635 L647 L649 E653 K680	K631-L651 HydrophobicContact CB-CD1 4.44Å; K631-L651 HydrophobicContact CB-CD2 3.9Å; K631-L651 HydrophobicContact CB-CG 4.17Å; Q632-L651 HydrophobicContact CG-CD1 4.1Å; Q632-L651 HydrophobicContact CG-CD2 3.57Å; Q632-L651 HydrophobicContact CG-CG 4.5Å; L635-L651 HydrophobicContact CB-CD1 4.14Å; L635-L651 HydrophobicContact CD2-CD1 3.75Å; L647-L651 WeakPolarHBondContact O-CB 3.24Å; L647-L651 VanDerWaalsContact O-CG 3.31Å; L647-L651 WeakPolarHBondContact O-CG 3.36Å; L647-L651 PolarHBondContact O-N 2.85Å; L649-L651 VanDerWaalsContact C-N 3.32Å; L649-L651 PolarHBondContact O-N 2.99Å; L651-E653 HydrophobicContact CB-CG 4.25Å; L651-K680 PolarHBondContact O-NZ 3.5Å
652	G	90.3	Very high	91	Very high	6 Å²	6	50.7 Å²	50.7	6%	0.062	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	32.9	-172.9	0	0	0	0	0	114.2	A648 L649 L654 K680	A648-G652 CarbonylContact O-C 3.6Å; A648-G652 VanDerWaalsContact O-CA 3.29Å; A648-G652 WeakPolarHBondContact O-CA 3.47Å; A648-G652 PolarHBondContact O-N 3.46Å; L649-G652 WeakPolarHBondContact O-CA 3.41Å; L649-G652 PolarHBondContact O-N 2.62Å; G652-L654 PolarHBondContact O-N 2.99Å; G652-K680 VanDerWaalsContact CA-NZ 3.32Å; G652-K680 PolarHBondContact O-NZ 2.86Å
653	E	91.3	Very high	91	Very high	93 Å²	93	52.3 Å²	52.3	44%	0.435	25%	0.245	S	C	.	.			trans	-79.3	69.1	175.6	-79.3	-62	164.2	0	0	111.2	A648 L651 K655 I656 A657	A648-E653 HydrophobicContact CB-CB 4.41Å; A648-E653 PolarHBondContact O-N 2.84Å; L651-E653 HydrophobicContact CB-CG 4.25Å; E653-K655 PolarHBondContact O-N 2.94Å; E653-I656 HydrophobicContact CB-CD1 4.35Å; E653-I656 PolarHBondContact O-N 3.18Å; E653-A657 PolarHBondContact O-N 2.8Å; E653-A657 VanDerWaalsContact O-N 3.1Å
654	L	89.7	Confident	90.8	Very high	9 Å²	9	54.1 Å²	54.1	5%	0.047	26%	0.261	C	S	.	.	H	α-helix	trans	-48.4	-31.9	-173.8	-73.8	170.5	0	0	0	114.7	G652 Y658 L673 L676 A677 K680 Q682 L685	G652-L654 PolarHBondContact O-N 2.99Å; L654-Y658 WeakPolarHBondContact O-CB 3.26Å; L654-Y658 PolarHBondContact O-N 2.77Å; L654-L673 HydrophobicContact CD2-CD1 3.57Å; L654-L676 HydrophobicContact CD2-CB 4.29Å; L654-L676 HydrophobicContact CD2-CD2 3.68Å; L654-L676 HydrophobicContact CD2-CG 3.72Å; L654-L676 HydrophobicContact CG-CD2 4.43Å; L654-L676 HydrophobicContact CG-CG 4.5Å; L654-A677 HydrophobicContact CD2-CB 4.13Å; L654-K680 HydrophobicContact CD1-CB 4.11Å; L654-K680 HydrophobicContact CD1-CD 4.06Å; L654-Q682 HydrophobicContact CD1-CB 4.36Å; L654-Q682 VanDerWaalsContact CD1-CD 3.41Å; L654-Q682 HydrophobicContact CD1-CG 4.03Å; L654-L685 HydrophobicContact CB-CD2 3.9Å; L654-L685 HydrophobicContact CD1-CD2 4.2Å; L654-L685 HydrophobicContact CD2-CD2 4.03Å; L654-L685 HydrophobicContact CG-CD2 4.27Å
655	K	90.3	Very high	90.6	Very high	170 Å²	170	58.1 Å²	58.1	74%	0.739	28%	0.283	S	S	*	.	H	α-helix	trans	-68.7	-42.1	178.7	-68	179.8	179.4	176.4	0	112.9	E653 Q659	E653-K655 PolarHBondContact O-N 2.94Å; K655-Q659 WeakPolarHBondContact O-CG 3.46Å; K655-Q659 PolarHBondContact O-N 3.35Å
656	I	89.8	Confident	90.5	Very high	47 Å²	47	59.8 Å²	59.8	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-75	-43.4	-179.6	-63.1	171.4	0	0	0	108.8	L635 A648 E653 Y658 Q659 L660	L635-I656 HydrophobicContact CD1-CG2 4.43Å; L635-I656 HydrophobicContact CD2-CD1 4.04Å; A648-I656 HydrophobicContact CB-CB 4.24Å; A648-I656 HydrophobicContact CB-CG2 4.1Å; E653-I656 HydrophobicContact CB-CD1 4.35Å; E653-I656 PolarHBondContact O-N 3.18Å; I656-Y658 VanDerWaalsContact C-N 3.32Å; I656-Y658 PolarHBondContact O-N 2.69Å; I656-Q659 PolarHBondContact O-N 3.24Å; I656-L660 HydrophobicContact CG2-CD1 3.92Å; I656-L660 WeakPolarHBondContact O-CG 3.46Å; I656-L660 PolarHBondContact O-N 2.69Å
657	A	91.2	Very high	90.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.7	-39.1	175.3	0	0	0	0	0	112.3	F645 A648 L649 E653 L660 A661 L673	F645-A657 HydrophobicContact CD2-CB 4.07Å; F645-A657 WeakPolarHBondContact CD2-O 3.19Å; F645-A657 HydrophobicContact CE2-CB 3.95Å; F645-A657 WeakPolarHBondContact CE2-O 3.34Å; A648-A657 HydrophobicContact CB-CB 3.99Å; L649-A657 HydrophobicContact CD2-CB 4.12Å; E653-A657 PolarHBondContact O-N 2.8Å; E653-A657 VanDerWaalsContact O-N 3.1Å; A657-L660 PolarHBondContact O-N 2.92Å; A657-A661 VanDerWaalsContact O-CB 3.31Å; A657-A661 WeakPolarHBondContact O-CB 3.41Å; A657-A661 PolarHBondContact O-N 3.06Å; A657-L673 HydrophobicContact CB-CD1 3.67Å
658	Y	91.8	Very high	90.3	Very high	73 Å²	73	65.2 Å²	65.2	29%	0.286	32%	0.32	S	S	.	.	H	α-helix	trans	-63	-45.4	173.5	-179	-92.7	0	0	0	112.9	L654 I656 L660 A661 V662 W670 L673 L685	L654-Y658 WeakPolarHBondContact O-CB 3.26Å; L654-Y658 PolarHBondContact O-N 2.77Å; I656-Y658 VanDerWaalsContact C-N 3.32Å; I656-Y658 PolarHBondContact O-N 2.69Å; Y658-L660 VanDerWaalsContact C-N 3.34Å; Y658-L660 PolarHBondContact O-N 2.91Å; Y658-A661 PolarHBondContact O-N 2.99Å; Y658-V662 HydrophobicContact CD1-CG2 4.15Å; Y658-V662 HydrophobicContact CE1-CG2 3.69Å; Y658-V662 HydrophobicContact CE2-CG2 4.41Å; Y658-V662 WeakPolarHBondContact O-CG2 3.43Å; Y658-V662 PolarHBondContact O-N 2.84Å; Y658-W670 AromaticContact CD2-CH2 3.83Å; Y658-W670 HydrophobicContact CD2-CH2 3.83Å; Y658-W670 AromaticContact CD2-CZ3 3.64Å; Y658-W670 HydrophobicContact CD2-CZ3 3.64Å; Y658-W670 AromaticContact CE2-CH2 3.57Å; Y658-W670 HydrophobicContact CE2-CH2 3.57Å; Y658-W670 AromaticContact CE2-CZ3 3.64Å; Y658-W670 HydrophobicContact CE2-CZ3 3.64Å; Y658-L673 HydrophobicContact CD2-CD2 4.23Å; Y658-L685 HydrophobicContact CD2-CD1 3.51Å; Y658-L685 HydrophobicContact CE2-CD1 3.93Å; Y658-L685 HydrophobicContact CG-CD1 4.23Å
659	Q	91.5	Very high	90.2	Very high	119 Å²	119	66.6 Å²	66.6	56%	0.556	33%	0.327	S	S	*	.	H	α-helix	trans	-59.6	-45.3	177.7	-73.5	175.2	-39.7	0	0	111.5	K655 I656 A661 V662 E663	K655-Q659 WeakPolarHBondContact O-CG 3.46Å; K655-Q659 PolarHBondContact O-N 3.35Å; I656-Q659 PolarHBondContact O-N 3.24Å; Q659-A661 PolarHBondContact O-N 2.97Å; Q659-V662 PolarHBondContact O-N 2.9Å; Q659-E663 WeakPolarHBondContact O-CG 3.46Å; Q659-E663 PolarHBondContact O-N 2.9Å
660	L	90.1	Very high	90.3	Very high	9 Å²	9	65.5 Å²	65.5	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-69.2	-30.3	177.7	-64	169.3	0	0	0	112.9	P641 R644 F645 I656 A657 Y658 A664	P641-L660 HydrophobicContact CB-CD2 4.14Å; R644-L660 HydrophobicContact CB-CD1 3.75Å; F645-L660 HydrophobicContact CB-CB 4.19Å; F645-L660 HydrophobicContact CB-CD1 4.06Å; F645-L660 HydrophobicContact CD2-CB 4.06Å; I656-L660 HydrophobicContact CG2-CD1 3.92Å; I656-L660 WeakPolarHBondContact O-CG 3.46Å; I656-L660 PolarHBondContact O-N 2.69Å; A657-L660 PolarHBondContact O-N 2.92Å; Y658-L660 VanDerWaalsContact C-N 3.34Å; Y658-L660 PolarHBondContact O-N 2.91Å; L660-A664 VanDerWaalsContact O-CB 3.25Å; L660-A664 WeakPolarHBondContact O-CB 3.33Å; L660-A664 PolarHBondContact O-N 2.87Å; L660-A664 VanDerWaalsContact O-N 3.08Å
661	A	90.1	Very high	90.3	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-71.1	-35.9	173.4	0	0	0	0	0	112.5	F645 A657 Y658 Q659 E665 W670 L673	F645-A661 HydrophobicContact CE2-CB 4.14Å; A657-A661 VanDerWaalsContact O-CB 3.31Å; A657-A661 WeakPolarHBondContact O-CB 3.41Å; A657-A661 PolarHBondContact O-N 3.06Å; Y658-A661 PolarHBondContact O-N 2.99Å; Q659-A661 PolarHBondContact O-N 2.97Å; A661-E665 PolarHBondContact O-N 2.92Å; A661-E665 VanDerWaalsContact O-N 3.07Å; A661-W670 HydrophobicContact CB-CD2 3.98Å; A661-W670 HydrophobicContact CB-CE3 3.96Å; A661-W670 HydrophobicContact CB-CH2 4.01Å; A661-W670 HydrophobicContact CB-CZ2 3.99Å; A661-W670 HydrophobicContact CB-CZ3 3.98Å; A661-W670 PolarHBondContact O-NE1 3.41Å; A661-L673 HydrophobicContact CB-CD2 3.94Å
662	V	90.3	Very high	90.4	Very high	65 Å²	65	67.3 Å²	67.3	39%	0.394	33%	0.326	S	S	.	.	H	α-helix	trans	-66.2	-44	170.5	174.2	0	0	0	0	110.9	Y658 Q659 A664 E665 W670	Y658-V662 HydrophobicContact CD1-CG2 4.15Å; Y658-V662 HydrophobicContact CE1-CG2 3.69Å; Y658-V662 HydrophobicContact CE2-CG2 4.41Å; Y658-V662 WeakPolarHBondContact O-CG2 3.43Å; Y658-V662 PolarHBondContact O-N 2.84Å; Q659-V662 PolarHBondContact O-N 2.9Å; V662-A664 VanDerWaalsContact C-N 3.27Å; V662-A664 PolarHBondContact O-N 3.06Å; V662-E665 WeakPolarHBondContact O-CG 3.36Å; V662-W670 HydrophobicContact CB-CZ2 4.47Å; V662-W670 HydrophobicContact CG2-CH2 3.62Å; V662-W670 HydrophobicContact CG2-CZ2 3.8Å
663	E	90.3	Very high	90.6	Very high	147 Å²	147	67 Å²	67	69%	0.687	32%	0.323	S	S	*	.	H	α-helix	trans	-66.8	-25	179.1	-73.2	172.2	-175.3	0	0	113.5	Q659	Q659-E663 WeakPolarHBondContact O-CG 3.46Å; Q659-E663 PolarHBondContact O-N 2.9Å
664	A	87.4	Confident	90.5	Very high	43 Å²	43	62.6 Å²	62.6	36%	0.355	30%	0.303	S	S	.	.	H	α-helix	trans	-102.2	-11.1	-177.3	0	0	0	0	0	115.3	L660 V662 S666 K669	L660-A664 VanDerWaalsContact O-CB 3.25Å; L660-A664 WeakPolarHBondContact O-CB 3.33Å; L660-A664 PolarHBondContact O-N 2.87Å; L660-A664 VanDerWaalsContact O-N 3.08Å; V662-A664 VanDerWaalsContact C-N 3.27Å; V662-A664 PolarHBondContact O-N 3.06Å; A664-S666 PolarHBondContact O-N 2.99Å; A664-K669 HydrophobicContact CB-CD 4Å
665	E	85.3	Confident	90.6	Very high	168 Å²	168	69 Å²	69	79%	0.785	33%	0.333	S	S	*	.			trans	45.9	17	-179.2	-58.9	-164.2	145.1	0	0	117	A661 V662	A661-E665 PolarHBondContact O-N 2.92Å; A661-E665 VanDerWaalsContact O-N 3.07Å; V662-E665 WeakPolarHBondContact O-CG 3.36Å
666	S	90.6	Very high	90.7	Very high	38 Å²	38	62.2 Å²	62.2	27%	0.266	30%	0.304	S	S	.	.			trans	-89.1	122.7	-170.3	175.9	0	0	0	0	113.4	A664 Q668 K669 W670	A664-S666 PolarHBondContact O-N 2.99Å; S666-Q668 PolarHBondContact O-N 2.89Å; S666-K669 PolarHBondContact O-N 2.84Å; S666-K669 VanDerWaalsContact O-N 3.12Å; S666-W670 PolarHBondContact O-N 2.93Å
667	E	89.3	Confident	90.8	Very high	76 Å²	76	60 Å²	60	36%	0.355	29%	0.292	S	S	.	.	H	α-helix	trans	-54.2	-36.4	178.5	-64.5	-169.2	179.9	0	0	113.8	W670 K671 Q694	E667-W670 PolarHBondContact O-N 2.99Å; E667-K671 WeakPolarHBondContact O-CG 3.32Å; E667-K671 PolarHBondContact O-N 2.8Å; E667-K671 IonicContact OE2-NZ 2.7Å; E667-K671 PolarHBondContact OE2-NZ 2.92Å; E667-Q694 PolarHBondContact OE1-NE2 3.12Å
668	Q	90.9	Very high	90.7	Very high	141 Å²	141	63.5 Å²	63.5	66%	0.659	31%	0.311	S	S	*	.	H	α-helix	trans	-66.9	-42.5	-179.2	-66.5	-176.2	-3.2	0	0	111.2	S666 W670 K671 Q672	S666-Q668 PolarHBondContact O-N 2.89Å; Q668-W670 VanDerWaalsContact C-N 3.32Å; Q668-W670 PolarHBondContact O-N 2.92Å; Q668-K671 PolarHBondContact O-N 2.95Å; Q668-Q672 WeakPolarHBondContact O-CG 3.48Å; Q668-Q672 PolarHBondContact O-N 2.86Å
669	K	91	Very high	90.7	Very high	30 Å²	30	64.1 Å²	64.1	13%	0.13	33%	0.326	C	S	.	.	H	α-helix	trans	-64.5	-39.3	175	-63.8	-176.5	-176.4	172.8	0	110.5	E642 F645 A664 S666 K671 Q672 L673	E642-K669 IonicContact OE1-NZ 3.6Å; E642-K669 PolarHBondContact OE1-NZ 3.06Å; F645-K669 HydrophobicContact CD1-CB 4.39Å; F645-K669 HydrophobicContact CD1-CD 4.12Å; F645-K669 HydrophobicContact CD1-CG 4.06Å; F645-K669 HydrophobicContact CE1-CB 3.67Å; F645-K669 HydrophobicContact CE1-CD 4.23Å; F645-K669 HydrophobicContact CE1-CG 3.69Å; F645-K669 HydrophobicContact CE2-CB 4.26Å; F645-K669 HydrophobicContact CZ-CB 3.61Å; F645-K669 HydrophobicContact CZ-CG 4.17Å; F645-K669 WeakPolarHBondContact CZ-O 3.13Å; A664-K669 HydrophobicContact CB-CD 4Å; S666-K669 PolarHBondContact O-N 2.84Å; S666-K669 VanDerWaalsContact O-N 3.12Å; K669-K671 PolarHBondContact O-N 3.26Å; K669-Q672 PolarHBondContact O-N 3.37Å; K669-L673 VanDerWaalsContact O-CB 3.31Å; K669-L673 WeakPolarHBondContact O-CB 3.49Å; K669-L673 PolarHBondContact O-N 3.07Å
670	W	93.5	Very high	90.6	Very high	7 Å²	7	63.1 Å²	63.1	3%	0.027	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-38.1	172.6	-72.7	118.6	0	0	0	113.6	Y658 A661 V662 S666 E667 Q668 L673 A674 C689 H692 A693	Y658-W670 AromaticContact CD2-CH2 3.83Å; Y658-W670 HydrophobicContact CD2-CH2 3.83Å; Y658-W670 AromaticContact CD2-CZ3 3.64Å; Y658-W670 HydrophobicContact CD2-CZ3 3.64Å; Y658-W670 AromaticContact CE2-CH2 3.57Å; Y658-W670 HydrophobicContact CE2-CH2 3.57Å; Y658-W670 AromaticContact CE2-CZ3 3.64Å; Y658-W670 HydrophobicContact CE2-CZ3 3.64Å; A661-W670 HydrophobicContact CB-CD2 3.98Å; A661-W670 HydrophobicContact CB-CE3 3.96Å; A661-W670 HydrophobicContact CB-CH2 4.01Å; A661-W670 HydrophobicContact CB-CZ2 3.99Å; A661-W670 HydrophobicContact CB-CZ3 3.98Å; A661-W670 PolarHBondContact O-NE1 3.41Å; V662-W670 HydrophobicContact CB-CZ2 4.47Å; V662-W670 HydrophobicContact CG2-CH2 3.62Å; V662-W670 HydrophobicContact CG2-CZ2 3.8Å; S666-W670 PolarHBondContact O-N 2.93Å; E667-W670 PolarHBondContact O-N 2.99Å; Q668-W670 VanDerWaalsContact C-N 3.32Å; Q668-W670 PolarHBondContact O-N 2.92Å; W670-L673 HydrophobicContact CE3-CD2 4.09Å; W670-L673 HydrophobicContact CZ3-CD2 3.97Å; W670-A674 WeakPolarHBondContact O-CB 3.4Å; W670-A674 PolarHBondContact O-N 2.96Å; W670-C689 HydrophobicContact CE3-CB 3.88Å; W670-C689 HydrophobicContact CZ3-CB 4.39Å; W670-H692 HydrophobicContact CB-CB 4.42Å; W670-H692 HydrophobicContact CD2-CB 3.63Å; W670-H692 HydrophobicContact CE3-CB 4.22Å; W670-H692 HydrophobicContact CG-CB 3.72Å; W670-H692 HydrophobicContact CZ2-CB 4.22Å; W670-A693 HydrophobicContact CB-CB 3.78Å
671	K	91.7	Very high	90.5	Very high	84 Å²	84	66.8 Å²	66.8	37%	0.365	35%	0.345	S	S	.	.	H	α-helix	trans	-65.8	-47.7	174.8	-70.7	175.3	176.6	126.9	0	112.1	E667 Q668 K669 L673 A674 E675 A693	E667-K671 WeakPolarHBondContact O-CG 3.32Å; E667-K671 PolarHBondContact O-N 2.8Å; E667-K671 IonicContact OE2-NZ 2.7Å; E667-K671 PolarHBondContact OE2-NZ 2.92Å; Q668-K671 PolarHBondContact O-N 2.95Å; K669-K671 PolarHBondContact O-N 3.26Å; K671-L673 VanDerWaalsContact C-N 3.34Å; K671-L673 PolarHBondContact O-N 2.67Å; K671-A674 WeakPolarHBondContact O-CB 3.42Å; K671-A674 PolarHBondContact O-N 2.91Å; K671-E675 PolarHBondContact O-N 2.89Å; K671-A693 HydrophobicContact CD-CB 4.46Å; K671-A693 WeakPolarHBondContact CE-O 3.5Å; K671-A693 HydrophobicContact CG-CB 3.57Å; K671-A693 PolarHBondContact NZ-O 3.16Å
672	Q	92.1	Very high	90.5	Very high	88 Å²	88	71.4 Å²	71.4	41%	0.411	37%	0.366	S	S	.	.	H	α-helix	trans	-61.9	-40.8	177.1	-67.2	173.3	-7.1	0	0	112.1	L649 Q668 K669 E675 L676	L649-Q672 HydrophobicContact CD1-CB 3.74Å; Q668-Q672 WeakPolarHBondContact O-CG 3.48Å; Q668-Q672 PolarHBondContact O-N 2.86Å; K669-Q672 PolarHBondContact O-N 3.37Å; Q672-E675 PolarHBondContact O-N 3.01Å; Q672-L676 WeakPolarHBondContact O-CB 3.44Å; Q672-L676 PolarHBondContact O-N 3.13Å; Q672-L676 VanDerWaalsContact O-N 3.15Å
673	L	93.5	Very high	90.3	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-66.8	-36.8	175.1	-177.6	58.4	0	0	0	112.2	F645 L649 L654 A657 Y658 A661 K669 W670 K671 L676 A677	F645-L673 HydrophobicContact CZ-CB 4.39Å; L649-L673 HydrophobicContact CD2-CB 4.46Å; L649-L673 HydrophobicContact CD2-CD1 4.21Å; L654-L673 HydrophobicContact CD2-CD1 3.57Å; A657-L673 HydrophobicContact CB-CD1 3.67Å; Y658-L673 HydrophobicContact CD2-CD2 4.23Å; A661-L673 HydrophobicContact CB-CD2 3.94Å; K669-L673 VanDerWaalsContact O-CB 3.31Å; K669-L673 WeakPolarHBondContact O-CB 3.49Å; K669-L673 PolarHBondContact O-N 3.07Å; W670-L673 HydrophobicContact CE3-CD2 4.09Å; W670-L673 HydrophobicContact CZ3-CD2 3.97Å; K671-L673 VanDerWaalsContact C-N 3.34Å; K671-L673 PolarHBondContact O-N 2.67Å; L673-L676 HydrophobicContact CD1-CD2 4.49Å; L673-A677 VanDerWaalsContact O-CB 3.29Å; L673-A677 WeakPolarHBondContact O-CB 3.27Å; L673-A677 PolarHBondContact O-N 3.45Å
674	A	91.2	Very high	90.1	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.008	36%	0.361	C	S	.	.	H	α-helix	trans	-63.5	-46.6	174.7	0	0	0	0	0	112.3	W670 K671 L676 A677 I678 C689 L690	W670-A674 WeakPolarHBondContact O-CB 3.4Å; W670-A674 PolarHBondContact O-N 2.96Å; K671-A674 WeakPolarHBondContact O-CB 3.42Å; K671-A674 PolarHBondContact O-N 2.91Å; A674-L676 VanDerWaalsContact C-N 3.33Å; A674-L676 PolarHBondContact O-N 3.21Å; A674-A677 PolarHBondContact O-N 2.92Å; A674-A677 VanDerWaalsContact O-N 3.15Å; A674-I678 VanDerWaalsContact O-CG1 3.25Å; A674-I678 WeakPolarHBondContact O-CG1 3.41Å; A674-I678 PolarHBondContact O-N 3.13Å; A674-C689 HydrophobicContact CB-CB 3.74Å; A674-L690 HydrophobicContact CB-CD2 3.59Å; A674-L690 HydrophobicContact CB-CG 3.71Å
675	E	90.6	Very high	90.1	Very high	144 Å²	144	68 Å²	68	67%	0.673	35%	0.351	S	S	*	.	H	α-helix	trans	-60.1	-43	177.6	-175.4	174.8	-160.7	0	0	111.8	K671 Q672 I678 S679	K671-E675 PolarHBondContact O-N 2.89Å; Q672-E675 PolarHBondContact O-N 3.01Å; E675-I678 PolarHBondContact O-N 2.93Å; E675-S679 PolarHBondContact O-N 3.13Å; E675-S679 PolarHBondContact O-OG 2.88Å
676	L	91.6	Very high	90.3	Very high	26 Å²	26	60 Å²	60	14%	0.136	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-40	173.2	180	67.3	0	0	0	112.7	L649 L654 Q672 L673 A674 I678 S679 K680	L649-L676 HydrophobicContact CB-CD2 4.22Å; L649-L676 HydrophobicContact CD2-CB 4.38Å; L649-L676 HydrophobicContact CD2-CD2 3.42Å; L649-L676 VanDerWaalsContact CD2-CD2 3.42Å; L649-L676 HydrophobicContact CG-CD2 4.41Å; L654-L676 HydrophobicContact CD2-CB 4.29Å; L654-L676 HydrophobicContact CD2-CD2 3.68Å; L654-L676 HydrophobicContact CD2-CG 3.72Å; L654-L676 HydrophobicContact CG-CD2 4.43Å; L654-L676 HydrophobicContact CG-CG 4.5Å; Q672-L676 WeakPolarHBondContact O-CB 3.44Å; Q672-L676 PolarHBondContact O-N 3.13Å; Q672-L676 VanDerWaalsContact O-N 3.15Å; L673-L676 HydrophobicContact CD1-CD2 4.49Å; A674-L676 VanDerWaalsContact C-N 3.33Å; A674-L676 PolarHBondContact O-N 3.21Å; L676-I678 VanDerWaalsContact C-N 3.34Å; L676-S679 WeakPolarHBondContact CA-OG 3.32Å; L676-S679 PolarHBondContact O-N 3.28Å; L676-S679 PolarHBondContact O-OG 3.44Å; L676-K680 PolarHBondContact O-N 2.81Å
677	A	92.1	Very high	90.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66.2	-37.3	175.7	0	0	0	0	0	111.6	L654 L673 A674 K680 C681 Q682 L685 A686	L654-A677 HydrophobicContact CD2-CB 4.13Å; L673-A677 VanDerWaalsContact O-CB 3.29Å; L673-A677 WeakPolarHBondContact O-CB 3.27Å; L673-A677 PolarHBondContact O-N 3.45Å; A674-A677 PolarHBondContact O-N 2.92Å; A674-A677 VanDerWaalsContact O-N 3.15Å; A677-K680 CarbonylContact O-C 3.59Å; A677-K680 PolarHBondContact O-N 3.05Å; A677-C681 PolarHBondContact O-N 3.1Å; A677-C681 VanDerWaalsContact O-N 3.13Å; A677-Q682 PolarHBondContact O-N 3.1Å; A677-L685 HydrophobicContact CB-CB 4.37Å; A677-L685 HydrophobicContact CB-CD2 4.22Å; A677-L685 HydrophobicContact CB-CG 4.28Å; A677-A686 HydrophobicContact CB-CB 3.94Å
678	I	89.8	Confident	89.9	Confident	74 Å²	74	62.9 Å²	62.9	38%	0.379	32%	0.323	S	S	.	.	H	α-helix	trans	-64.8	-48.8	174.1	-69.7	163.4	0	0	0	110.6	A674 E675 L676 K680 C681 A686 L690	A674-I678 VanDerWaalsContact O-CG1 3.25Å; A674-I678 WeakPolarHBondContact O-CG1 3.41Å; A674-I678 PolarHBondContact O-N 3.13Å; E675-I678 PolarHBondContact O-N 2.93Å; L676-I678 VanDerWaalsContact C-N 3.34Å; I678-K680 VanDerWaalsContact C-N 3.25Å; I678-K680 PolarHBondContact O-N 3.45Å; I678-C681 WeakPolarHBondContact O-CA 3.3Å; I678-C681 PolarHBondContact O-N 3.14Å; I678-A686 HydrophobicContact CD1-CB 4.49Å; I678-A686 HydrophobicContact CG1-CB 3.72Å; I678-L690 HydrophobicContact CD1-CD1 4.43Å
679	S	90.8	Very high	89.9	Confident	87 Å²	87	56.2 Å²	56.2	61%	0.608	29%	0.292	S	S	*	.	H	α-helix	trans	-65.3	-26.4	179.1	62	0	0	0	0	113.4	E675 L676	E675-S679 PolarHBondContact O-N 3.13Å; E675-S679 PolarHBondContact O-OG 2.88Å; L676-S679 WeakPolarHBondContact CA-OG 3.32Å; L676-S679 PolarHBondContact O-N 3.28Å; L676-S679 PolarHBondContact O-OG 3.44Å
680	K	89.6	Confident	89.8	Confident	98 Å²	98	55 Å²	55	43%	0.426	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	11.3	168.7	-67.6	-162.6	173.5	-168.2	0	114.4	L651 G652 L654 L676 A677 I678 Q682	L651-K680 PolarHBondContact O-NZ 3.5Å; G652-K680 VanDerWaalsContact CA-NZ 3.32Å; G652-K680 PolarHBondContact O-NZ 2.86Å; L654-K680 HydrophobicContact CD1-CB 4.11Å; L654-K680 HydrophobicContact CD1-CD 4.06Å; L676-K680 PolarHBondContact O-N 2.81Å; A677-K680 CarbonylContact O-C 3.59Å; A677-K680 PolarHBondContact O-N 3.05Å; I678-K680 VanDerWaalsContact C-N 3.25Å; I678-K680 PolarHBondContact O-N 3.45Å; K680-Q682 HydrophobicContact CB-CG 4.48Å; K680-Q682 PolarHBondContact O-N 3.26Å
681	C	89.3	Confident	89.4	Confident	85 Å²	85	59.4 Å²	59.4	57%	0.574	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	24.6	178.7	-59.6	0	0	0	0	115.6	A677 I678 F683	A677-C681 PolarHBondContact O-N 3.1Å; A677-C681 VanDerWaalsContact O-N 3.13Å; I678-C681 WeakPolarHBondContact O-CA 3.3Å; I678-C681 PolarHBondContact O-N 3.14Å; C681-F683 VanDerWaalsContact C-N 3.31Å; C681-F683 HydrophobicContact CB-CE2 3.92Å; C681-F683 HydrophobicContact CB-CZ 3.97Å; C681-F683 WeakPolarHBondContact O-CD2 3.33Å; C681-F683 WeakPolarHBondContact O-CE2 3.4Å; C681-F683 PolarHBondContact O-N 3.46Å
682	Q	89.5	Confident	89.1	Confident	97 Å²	97	60.3 Å²	60.3	45%	0.453	31%	0.313	S	S	.	.			trans	-90.4	63.2	178.6	-60.9	-160.9	9.8	0	0	111.1	L654 A677 K680 G684 L685 A686	L654-Q682 HydrophobicContact CD1-CB 4.36Å; L654-Q682 VanDerWaalsContact CD1-CD 3.41Å; L654-Q682 HydrophobicContact CD1-CG 4.03Å; A677-Q682 PolarHBondContact O-N 3.1Å; K680-Q682 HydrophobicContact CB-CG 4.48Å; K680-Q682 PolarHBondContact O-N 3.26Å; Q682-G684 VanDerWaalsContact C-N 3.25Å; Q682-G684 PolarHBondContact O-N 3.14Å; Q682-G684 VanDerWaalsContact O-N 3.11Å; Q682-L685 HydrophobicContact CB-CB 4.32Å; Q682-L685 PolarHBondContact O-N 3.25Å; Q682-A686 PolarHBondContact O-N 3.22Å
683	F	85.4	Confident	88.9	Confident	107 Å²	107	56.1 Å²	56.1	47%	0.469	29%	0.293	S	S	.	.	H	α-helix	trans	-57.7	-28.8	-170.4	-57.1	-63.4	0	0	0	115.5	C681 Q687 L702	C681-F683 VanDerWaalsContact C-N 3.31Å; C681-F683 HydrophobicContact CB-CE2 3.92Å; C681-F683 HydrophobicContact CB-CZ 3.97Å; C681-F683 WeakPolarHBondContact O-CD2 3.33Å; C681-F683 WeakPolarHBondContact O-CE2 3.4Å; C681-F683 PolarHBondContact O-N 3.46Å; F683-Q687 WeakPolarHBondContact O-CB 3.39Å; F683-Q687 PolarHBondContact O-N 3.16Å; F683-L702 HydrophobicContact CB-CD1 4.26Å; F683-L702 HydrophobicContact CD1-CD1 3.79Å; F683-L702 HydrophobicContact CG-CD1 4.35Å
684	G	86.3	Confident	88.6	Confident	48 Å²	48	60.3 Å²	60.3	50%	0.495	31%	0.313	S	S	.	.	H	α-helix	trans	-66.8	-45.2	174.1	0	0	0	0	0	112.7	Q682 Q687 E688	Q682-G684 VanDerWaalsContact C-N 3.25Å; Q682-G684 PolarHBondContact O-N 3.14Å; Q682-G684 VanDerWaalsContact O-N 3.11Å; G684-Q687 WeakPolarHBondContact O-CB 3.25Å; G684-Q687 PolarHBondContact O-N 2.91Å; G684-E688 PolarHBondContact O-N 3.37Å
685	L	88.6	Confident	88.4	Confident	30 Å²	30	62.8 Å²	62.8	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-66.5	-41	174.6	-176.5	65.1	0	0	0	110.8	L654 Y658 A677 Q682 Q687 E688 C689	L654-L685 HydrophobicContact CB-CD2 3.9Å; L654-L685 HydrophobicContact CD1-CD2 4.2Å; L654-L685 HydrophobicContact CD2-CD2 4.03Å; L654-L685 HydrophobicContact CG-CD2 4.27Å; Y658-L685 HydrophobicContact CD2-CD1 3.51Å; Y658-L685 HydrophobicContact CE2-CD1 3.93Å; Y658-L685 HydrophobicContact CG-CD1 4.23Å; A677-L685 HydrophobicContact CB-CB 4.37Å; A677-L685 HydrophobicContact CB-CD2 4.22Å; A677-L685 HydrophobicContact CB-CG 4.28Å; Q682-L685 HydrophobicContact CB-CB 4.32Å; Q682-L685 PolarHBondContact O-N 3.25Å; L685-Q687 VanDerWaalsContact C-N 3.32Å; L685-Q687 PolarHBondContact O-N 3.37Å; L685-E688 PolarHBondContact O-N 2.79Å; L685-C689 WeakPolarHBondContact O-CB 3.39Å; L685-C689 PolarHBondContact O-N 3.31Å; L685-C689 PolarHBondContact O-SG 2.94Å
686	A	89	Confident	88.2	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.4	-41	175	0	0	0	0	0	112.3	A677 I678 Q682 E688 C689 L690 L702	A677-A686 HydrophobicContact CB-CB 3.94Å; I678-A686 HydrophobicContact CD1-CB 4.49Å; I678-A686 HydrophobicContact CG1-CB 3.72Å; Q682-A686 PolarHBondContact O-N 3.22Å; A686-E688 PolarHBondContact O-N 3.28Å; A686-C689 PolarHBondContact O-N 3.2Å; A686-L690 WeakPolarHBondContact O-CB 3.44Å; A686-L690 WeakPolarHBondContact O-CG 3.46Å; A686-L690 PolarHBondContact O-N 2.95Å; A686-L702 HydrophobicContact CB-CD2 4.3Å
687	Q	85.5	Confident	88	Confident	71 Å²	71	57.2 Å²	57.2	33%	0.332	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-45.6	174.6	166.2	175.5	-1.8	0	0	112.1	F683 G684 L685 H691 L702 M711	F683-Q687 WeakPolarHBondContact O-CB 3.39Å; F683-Q687 PolarHBondContact O-N 3.16Å; G684-Q687 WeakPolarHBondContact O-CB 3.25Å; G684-Q687 PolarHBondContact O-N 2.91Å; L685-Q687 VanDerWaalsContact C-N 3.32Å; L685-Q687 PolarHBondContact O-N 3.37Å; Q687-H691 WeakPolarHBondContact O-CB 3.23Å; Q687-H691 PolarHBondContact O-N 2.88Å; Q687-H691 VanDerWaalsContact O-N 3.17Å; Q687-L702 HydrophobicContact CB-CD2 4.08Å; Q687-M711 HydrophobicContact CB-CE 3.95Å; Q687-M711 HydrophobicContact CG-CE 3.72Å; Q687-M711 HydrophobicContact CG-SD 4.45Å
688	E	86.3	Confident	87.7	Confident	103 Å²	103	58.1 Å²	58.1	48%	0.481	32%	0.319	S	S	.	.	H	α-helix	trans	-65.4	-46.8	178.8	-68.8	171.9	161.4	0	0	110.6	G684 L685 A686 L690 H691 H692	G684-E688 PolarHBondContact O-N 3.37Å; L685-E688 PolarHBondContact O-N 2.79Å; A686-E688 PolarHBondContact O-N 3.28Å; E688-L690 PolarHBondContact O-N 3.04Å; E688-H691 PolarHBondContact O-N 2.89Å; E688-H692 PolarHBondContact O-CD2 3.25Å; E688-H692 VanDerWaalsContact O-CD2 3.22Å; E688-H692 PolarHBondContact O-N 3.1Å
689	C	89.8	Confident	87.6	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-46.1	178.4	-61.7	0	0	0	0	112.4	W670 A674 L685 A686 H691 H692 A693	W670-C689 HydrophobicContact CE3-CB 3.88Å; W670-C689 HydrophobicContact CZ3-CB 4.39Å; A674-C689 HydrophobicContact CB-CB 3.74Å; L685-C689 WeakPolarHBondContact O-CB 3.39Å; L685-C689 PolarHBondContact O-N 3.31Å; L685-C689 PolarHBondContact O-SG 2.94Å; A686-C689 PolarHBondContact O-N 3.2Å; C689-H691 PolarHBondContact O-N 3.05Å; C689-H692 PolarHBondContact O-N 3.42Å; C689-A693 WeakPolarHBondContact O-CB 3.36Å; C689-A693 PolarHBondContact O-N 2.8Å
690	L	88.8	Confident	87.5	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-28.2	177.9	-67.6	167.1	0	0	0	112.6	A674 I678 A686 E688 Q694 D695 L699 L702	A674-L690 HydrophobicContact CB-CD2 3.59Å; A674-L690 HydrophobicContact CB-CG 3.71Å; I678-L690 HydrophobicContact CD1-CD1 4.43Å; A686-L690 WeakPolarHBondContact O-CB 3.44Å; A686-L690 WeakPolarHBondContact O-CG 3.46Å; A686-L690 PolarHBondContact O-N 2.95Å; E688-L690 PolarHBondContact O-N 3.04Å; L690-Q694 PolarHBondContact O-N 2.9Å; L690-D695 HydrophobicContact CD2-CB 3.89Å; L690-D695 PolarHBondContact O-N 3.22Å; L690-L699 HydrophobicContact CB-CD2 3.65Å; L690-L699 HydrophobicContact CB-CG 3.73Å; L690-L699 HydrophobicContact CD1-CD2 4.4Å; L690-L702 HydrophobicContact CD1-CD2 4Å
691	H	85.5	Confident	87.4	Confident	99 Å²	99	54 Å²	54	46%	0.458	30%	0.295	S	S	.	.	H	α-helix	trans	-72.5	-45.4	174.5	-170.9	43.7	0	0	0	112.2	Q687 E688 C689 A693 Q694 L699	Q687-H691 WeakPolarHBondContact O-CB 3.23Å; Q687-H691 PolarHBondContact O-N 2.88Å; Q687-H691 VanDerWaalsContact O-N 3.17Å; E688-H691 PolarHBondContact O-N 2.89Å; C689-H691 PolarHBondContact O-N 3.05Å; H691-A693 PolarHBondContact O-N 3.07Å; H691-Q694 PolarHBondContact O-N 2.69Å; H691-L699 HydrophobicContact CB-CD1 4.33Å
692	H	86.6	Confident	87.2	Confident	102 Å²	102	51.1 Å²	51.1	47%	0.472	27%	0.273	S	S	.	.	H	α-helix	trans	-66.2	-27.2	172.7	-73.2	-72	0	0	0	113	W670 E688 C689 Q694	W670-H692 HydrophobicContact CB-CB 4.42Å; W670-H692 HydrophobicContact CD2-CB 3.63Å; W670-H692 HydrophobicContact CE3-CB 4.22Å; W670-H692 HydrophobicContact CG-CB 3.72Å; W670-H692 HydrophobicContact CZ2-CB 4.22Å; E688-H692 PolarHBondContact O-CD2 3.25Å; E688-H692 VanDerWaalsContact O-CD2 3.22Å; E688-H692 PolarHBondContact O-N 3.1Å; C689-H692 PolarHBondContact O-N 3.42Å; H692-Q694 VanDerWaalsContact C-N 3.29Å; H692-Q694 PolarHBondContact O-N 2.71Å
693	A	87.8	Confident	87	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-5.3	173.4	0	0	0	0	0	115.5	W670 K671 C689 H691 D695	W670-A693 HydrophobicContact CB-CB 3.78Å; K671-A693 HydrophobicContact CD-CB 4.46Å; K671-A693 WeakPolarHBondContact CE-O 3.5Å; K671-A693 HydrophobicContact CG-CB 3.57Å; K671-A693 PolarHBondContact NZ-O 3.16Å; C689-A693 WeakPolarHBondContact O-CB 3.36Å; C689-A693 PolarHBondContact O-N 2.8Å; H691-A693 PolarHBondContact O-N 3.07Å; A693-D695 HydrophobicContact CB-CB 4.36Å; A693-D695 PolarHBondContact O-N 3.11Å; A693-D695 VanDerWaalsContact O-N 3.11Å
694	Q	86.8	Confident	86.9	Confident	89 Å²	89	44.4 Å²	44.4	42%	0.416	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	27.1	-167.7	-54.4	-167.3	52.7	0	0	114.1	E667 L690 H691 H692 Y696	E667-Q694 PolarHBondContact OE1-NE2 3.12Å; L690-Q694 PolarHBondContact O-N 2.9Å; H691-Q694 PolarHBondContact O-N 2.69Å; H692-Q694 VanDerWaalsContact C-N 3.29Å; H692-Q694 PolarHBondContact O-N 2.71Å; Q694-Y696 VanDerWaalsContact C-N 3.29Å; Q694-Y696 HydrophobicContact CB-CD2 4.49Å; Q694-Y696 HydrophobicContact CB-CE2 4.18Å; Q694-Y696 WeakPolarHBondContact O-CD2 3.42Å; Q694-Y696 PolarHBondContact O-N 3.37Å
695	D	87.8	Confident	86.8	Confident	53 Å²	53	46.1 Å²	46.1	28%	0.283	26%	0.258	S	S	.	.			trans	-83.6	77.4	179.8	-172	-1	0	0	0	111.1	L690 A693 G697 G698 L699	L690-D695 HydrophobicContact CD2-CB 3.89Å; L690-D695 PolarHBondContact O-N 3.22Å; A693-D695 HydrophobicContact CB-CB 4.36Å; A693-D695 PolarHBondContact O-N 3.11Å; A693-D695 VanDerWaalsContact O-N 3.11Å; D695-G697 PolarHBondContact O-N 2.74Å; D695-G697 WeakPolarHBondContact OD1-CA 3.32Å; D695-G697 PolarHBondContact OD1-N 3.48Å; D695-G698 PolarHBondContact O-N 3.11Å; D695-G698 PolarHBondContact OD1-N 2.98Å; D695-L699 WeakPolarHBondContact O-CB 3.12Å; D695-L699 VanDerWaalsContact O-CG 3.31Å; D695-L699 WeakPolarHBondContact O-CG 3.33Å; D695-L699 PolarHBondContact O-N 2.86Å
696	Y	86.1	Confident	86.4	Confident	11 Å²	11	48 Å²	48	4%	0.043	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-21.7	174.7	-73.9	-73.9	0	0	0	113.6	Q694 L700 L715 A719 D722 K724	Q694-Y696 VanDerWaalsContact C-N 3.29Å; Q694-Y696 HydrophobicContact CB-CD2 4.49Å; Q694-Y696 HydrophobicContact CB-CE2 4.18Å; Q694-Y696 WeakPolarHBondContact O-CD2 3.42Å; Q694-Y696 PolarHBondContact O-N 3.37Å; Y696-L700 WeakPolarHBondContact O-CB 3.15Å; Y696-L700 PolarHBondContact O-N 3.5Å; Y696-L715 HydrophobicContact CD1-CD1 3.55Å; Y696-L715 HydrophobicContact CE1-CD1 4Å; Y696-A719 HydrophobicContact CD1-CB 3.81Å; Y696-A719 HydrophobicContact CE1-CB 4.02Å; Y696-D722 HydrophobicContact CE2-CB 4.13Å; Y696-D722 PolarHBondContact OH-OD2 3.32Å; Y696-K724 HydrophobicContact CD2-CG 3.78Å; Y696-K724 HydrophobicContact CE2-CG 4.27Å; Y696-K724 HydrophobicContact CG-CG 4.22Å
697	G	86.9	Confident	85.8	Confident	41 Å²	41	50.7 Å²	50.7	42%	0.423	30%	0.301	S	S	.	.	H	α-helix	trans	-79.6	-51.4	175.7	0	0	0	0	0	112.2	D695 L699 L700 L701	D695-G697 PolarHBondContact O-N 2.74Å; D695-G697 WeakPolarHBondContact OD1-CA 3.32Å; D695-G697 PolarHBondContact OD1-N 3.48Å; G697-L699 VanDerWaalsContact C-N 3.32Å; G697-L699 PolarHBondContact O-N 3.02Å; G697-L700 WeakPolarHBondContact O-CB 3.31Å; G697-L700 PolarHBondContact O-N 2.84Å; G697-L700 VanDerWaalsContact O-N 3.15Å; G697-L701 PolarHBondContact O-N 3.02Å
698	G	86.3	Confident	85.5	Confident	19 Å²	19	50.1 Å²	50.1	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-59.4	-41.3	173.4	0	0	0	0	0	112.3	D695 L701 L702	D695-G698 PolarHBondContact O-N 3.11Å; D695-G698 PolarHBondContact OD1-N 2.98Å; G698-L701 PolarHBondContact O-N 3.41Å; G698-L702 WeakPolarHBondContact O-CB 3.31Å; G698-L702 PolarHBondContact O-N 2.82Å
699	L	87.1	Confident	85	Confident	10 Å²	10	47.3 Å²	47.3	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-40.5	173	-75.2	173.2	0	0	0	112.7	L690 H691 D695 G697 L702 A703 M711 L715	L690-L699 HydrophobicContact CB-CD2 3.65Å; L690-L699 HydrophobicContact CB-CG 3.73Å; L690-L699 HydrophobicContact CD1-CD2 4.4Å; H691-L699 HydrophobicContact CB-CD1 4.33Å; D695-L699 WeakPolarHBondContact O-CB 3.12Å; D695-L699 VanDerWaalsContact O-CG 3.31Å; D695-L699 WeakPolarHBondContact O-CG 3.33Å; D695-L699 PolarHBondContact O-N 2.86Å; G697-L699 VanDerWaalsContact C-N 3.32Å; G697-L699 PolarHBondContact O-N 3.02Å; L699-L702 PolarHBondContact O-N 2.74Å; L699-A703 WeakPolarHBondContact O-CB 3.47Å; L699-A703 PolarHBondContact O-N 2.85Å; L699-M711 HydrophobicContact CD2-CE 4.05Å; L699-L715 HydrophobicContact CB-CD1 3.51Å; L699-L715 HydrophobicContact CB-CD2 4.03Å; L699-L715 HydrophobicContact CB-CG 4.43Å; L699-L715 HydrophobicContact CD1-CD1 3.68Å; L699-L715 HydrophobicContact CG-CD1 4.23Å
700	L	88	Confident	84.6	Confident	38 Å²	38	52.2 Å²	52.2	20%	0.199	32%	0.324	C	S	.	.	H	α-helix	trans	-63.1	-45	177.8	177	61.7	0	0	0	111.2	Y696 G697 T704 L715 V727 T731 L734	Y696-L700 WeakPolarHBondContact O-CB 3.15Å; Y696-L700 PolarHBondContact O-N 3.5Å; G697-L700 WeakPolarHBondContact O-CB 3.31Å; G697-L700 PolarHBondContact O-N 2.84Å; G697-L700 VanDerWaalsContact O-N 3.15Å; L700-T704 HydrophobicContact CD1-CG2 3.94Å; L700-T704 WeakPolarHBondContact O-CB 3.37Å; L700-T704 VanDerWaalsContact O-CG2 3.32Å; L700-T704 WeakPolarHBondContact O-CG2 3.28Å; L700-T704 PolarHBondContact O-N 3.05Å; L700-T704 PolarHBondContact O-OG1 2.87Å; L700-L715 HydrophobicContact CB-CD2 4.03Å; L700-L715 HydrophobicContact CD1-CD2 4.33Å; L700-V727 HydrophobicContact CB-CG1 4.46Å; L700-V727 HydrophobicContact CD2-CG1 4.5Å; L700-T731 HydrophobicContact CD1-CG2 3.62Å; L700-L734 HydrophobicContact CD1-CD1 4.31Å
701	L	88.4	Confident	84.1	Confident	125 Å²	125	52.4 Å²	52.4	65%	0.654	33%	0.325	S	S	*	.	H	α-helix	trans	-62.3	-45.1	176.4	-176.7	61.4	0	0	0	111.5	G697 G698 T704 A705	G697-L701 PolarHBondContact O-N 3.02Å; G698-L701 PolarHBondContact O-N 3.41Å; L701-T704 PolarHBondContact O-OG1 2.84Å; L701-A705 WeakPolarHBondContact O-CB 3.34Å; L701-A705 PolarHBondContact O-N 3.35Å
702	L	85.7	Confident	84	Confident	24 Å²	24	48.1 Å²	48.1	13%	0.126	31%	0.306	C	S	.	.	H	α-helix	trans	-67.9	-40.7	179.6	-175.3	59.9	0	0	0	112.6	F683 A686 Q687 L690 G698 L699 S706 M711	F683-L702 HydrophobicContact CB-CD1 4.26Å; F683-L702 HydrophobicContact CD1-CD1 3.79Å; F683-L702 HydrophobicContact CG-CD1 4.35Å; A686-L702 HydrophobicContact CB-CD2 4.3Å; Q687-L702 HydrophobicContact CB-CD2 4.08Å; L690-L702 HydrophobicContact CD1-CD2 4Å; G698-L702 WeakPolarHBondContact O-CB 3.31Å; G698-L702 PolarHBondContact O-N 2.82Å; L699-L702 PolarHBondContact O-N 2.74Å; L702-S706 VanDerWaalsContact O-CB 3.28Å; L702-S706 WeakPolarHBondContact O-CB 3.4Å; L702-S706 PolarHBondContact O-N 2.84Å; L702-S706 PolarHBondContact O-OG 3.43Å; L702-M711 HydrophobicContact CB-CE 4.16Å; L702-M711 HydrophobicContact CD2-CE 3.9Å; L702-M711 HydrophobicContact CG-CE 3.88Å
703	A	84	Confident	83.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-71	-36.1	-180	0	0	0	0	0	112.6	L699 S706 G707 N708 M711 V712 L715	L699-A703 WeakPolarHBondContact O-CB 3.47Å; L699-A703 PolarHBondContact O-N 2.85Å; A703-S706 PolarHBondContact O-OG 2.94Å; A703-G707 PolarHBondContact O-N 3.36Å; A703-N708 PolarHBondContact O-N 2.79Å; A703-M711 HydrophobicContact CB-CB 4.26Å; A703-M711 HydrophobicContact CB-CE 4.04Å; A703-M711 HydrophobicContact CB-CG 3.73Å; A703-M711 HydrophobicContact CB-SD 3.84Å; A703-V712 HydrophobicContact CB-CG2 3.72Å; A703-L715 HydrophobicContact CB-CD2 4.34Å
704	T	84.7	Confident	83.6	Confident	63 Å²	63	51 Å²	51	39%	0.387	32%	0.32	S	S	.	.	H	α-helix	trans	-74.3	-46.7	175.4	51.9	0	0	0	0	111.6	L700 L701 S706 G707 L734	L700-T704 HydrophobicContact CD1-CG2 3.94Å; L700-T704 WeakPolarHBondContact O-CB 3.37Å; L700-T704 VanDerWaalsContact O-CG2 3.32Å; L700-T704 WeakPolarHBondContact O-CG2 3.28Å; L700-T704 PolarHBondContact O-N 3.05Å; L700-T704 PolarHBondContact O-OG1 2.87Å; L701-T704 PolarHBondContact O-OG1 2.84Å; T704-S706 VanDerWaalsContact C-N 3.28Å; T704-S706 PolarHBondContact O-N 2.88Å; T704-G707 PolarHBondContact O-N 2.95Å; T704-L734 HydrophobicContact CG2-CD1 3.85Å
705	A	82.9	Confident	83.5	Confident	85 Å²	85	47.3 Å²	47.3	70%	0.702	30%	0.302	S	S	*	.	H	α-helix	trans	-62.8	-32.1	178	0	0	0	0	0	113.3	L701	L701-A705 WeakPolarHBondContact O-CB 3.34Å; L701-A705 PolarHBondContact O-N 3.35Å
706	S	79.5	Confident	83.4	Confident	70 Å²	70	44.8 Å²	44.8	49%	0.49	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-9.4	173.8	61.9	0	0	0	0	114.4	L702 A703 T704 N708	L702-S706 VanDerWaalsContact O-CB 3.28Å; L702-S706 WeakPolarHBondContact O-CB 3.4Å; L702-S706 PolarHBondContact O-N 2.84Å; L702-S706 PolarHBondContact O-OG 3.43Å; A703-S706 PolarHBondContact O-OG 2.94Å; T704-S706 VanDerWaalsContact C-N 3.28Å; T704-S706 PolarHBondContact O-N 2.88Å; S706-N708 PolarHBondContact O-N 2.89Å
707	G	76.9	Confident	83.3	Confident	55 Å²	55	49.4 Å²	49.4	57%	0.567	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	18.5	-177	0	0	0	0	0	114.3	A703 T704 A709	A703-G707 PolarHBondContact O-N 3.36Å; T704-G707 PolarHBondContact O-N 2.95Å; G707-A709 PolarHBondContact O-N 3.14Å; G707-A709 VanDerWaalsContact O-N 3.13Å
708	N	79.2	Confident	83.2	Confident	59 Å²	59	47.9 Å²	47.9	32%	0.316	30%	0.295	S	S	.	.			trans	-84.8	91.8	-171	-175.5	-6.9	0	0	0	111.7	A703 S706 T710 M711 V712	A703-N708 PolarHBondContact O-N 2.79Å; S706-N708 PolarHBondContact O-N 2.89Å; N708-T710 PolarHBondContact O-N 3.08Å; N708-T710 VanDerWaalsContact O-N 3.11Å; N708-T710 PolarHBondContact OD1-N 2.87Å; N708-T710 VanDerWaalsContact OD1-N 3.09Å; N708-T710 PolarHBondContact OD1-OG1 3.2Å; N708-M711 HydrophobicContact CB-CB 3.87Å; N708-M711 WeakPolarHBondContact O-CB 3.33Å; N708-M711 PolarHBondContact O-N 2.91Å; N708-M711 PolarHBondContact OD1-N 3.22Å; N708-V712 PolarHBondContact O-N 2.82Å
709	A	76.3	Confident	83.2	Confident	44 Å²	44	47 Å²	47	36%	0.364	29%	0.286	S	S	.	.	H	α-helix	trans	-52.5	-33.5	177.8	0	0	0	0	0	114	G707 G713 Q735	G707-A709 PolarHBondContact O-N 3.14Å; G707-A709 VanDerWaalsContact O-N 3.13Å; A709-G713 PolarHBondContact O-N 2.9Å; A709-G713 VanDerWaalsContact O-N 3.09Å; A709-Q735 PolarHBondContact O-NE2 2.84Å
710	T	81.6	Confident	83.2	Confident	103 Å²	103	48.8 Å²	48.8	63%	0.632	29%	0.294	S	S	*	.	H	α-helix	trans	-71.6	-33	178.1	71	0	0	0	0	112.6	N708 G713 K714	N708-T710 PolarHBondContact O-N 3.08Å; N708-T710 VanDerWaalsContact O-N 3.11Å; N708-T710 PolarHBondContact OD1-N 2.87Å; N708-T710 VanDerWaalsContact OD1-N 3.09Å; N708-T710 PolarHBondContact OD1-OG1 3.2Å; T710-G713 PolarHBondContact O-N 2.73Å; T710-K714 PolarHBondContact O-N 2.87Å
711	M	78.9	Confident	83.1	Confident	10 Å²	10	55.7 Å²	55.7	5%	0.049	32%	0.318	C	S	.	.	H	α-helix	trans	-72.3	-45	176.4	-176	178	175.9	0	0	110.9	Q687 L699 L702 A703 N708 G713 K714 L715	Q687-M711 HydrophobicContact CB-CE 3.95Å; Q687-M711 HydrophobicContact CG-CE 3.72Å; Q687-M711 HydrophobicContact CG-SD 4.45Å; L699-M711 HydrophobicContact CD2-CE 4.05Å; L702-M711 HydrophobicContact CB-CE 4.16Å; L702-M711 HydrophobicContact CD2-CE 3.9Å; L702-M711 HydrophobicContact CG-CE 3.88Å; A703-M711 HydrophobicContact CB-CB 4.26Å; A703-M711 HydrophobicContact CB-CE 4.04Å; A703-M711 HydrophobicContact CB-CG 3.73Å; A703-M711 HydrophobicContact CB-SD 3.84Å; N708-M711 HydrophobicContact CB-CB 3.87Å; N708-M711 WeakPolarHBondContact O-CB 3.33Å; N708-M711 PolarHBondContact O-N 2.91Å; N708-M711 PolarHBondContact OD1-N 3.22Å; M711-G713 PolarHBondContact O-N 3.41Å; M711-K714 PolarHBondContact O-N 3.23Å; M711-L715 VanDerWaalsContact O-CB 3.27Å; M711-L715 WeakPolarHBondContact O-CB 3.31Å; M711-L715 PolarHBondContact O-N 3.07Å
712	V	83.3	Confident	82.9	Confident	10 Å²	10	52 Å²	52	6%	0.061	30%	0.298	C	S	.	.	H	α-helix	trans	-58	-34.3	173.1	-179.8	0	0	0	0	111.5	A703 N708 L715 A716 T731 Q735	A703-V712 HydrophobicContact CB-CG2 3.72Å; N708-V712 PolarHBondContact O-N 2.82Å; V712-L715 PolarHBondContact O-N 2.7Å; V712-A716 PolarHBondContact O-N 2.79Å; V712-T731 HydrophobicContact CG1-CG2 4Å; V712-Q735 HydrophobicContact CB-CG 4.41Å; V712-Q735 HydrophobicContact CG1-CG 3.75Å
713	G	82.3	Confident	82.9	Confident	8 Å²	8	53 Å²	53	8%	0.082	31%	0.314	C	S	.	.	H	α-helix	trans	-68.8	-50.9	179.2	0	0	0	0	0	112.9	A709 T710 M711 L715 A716 E717	A709-G713 PolarHBondContact O-N 2.9Å; A709-G713 VanDerWaalsContact O-N 3.09Å; T710-G713 PolarHBondContact O-N 2.73Å; M711-G713 PolarHBondContact O-N 3.41Å; G713-L715 PolarHBondContact O-N 3.12Å; G713-A716 WeakPolarHBondContact O-CB 3.26Å; G713-A716 PolarHBondContact O-N 3.46Å; G713-E717 PolarHBondContact O-N 3.21Å; G713-E717 VanDerWaalsContact O-N 3.12Å
714	K	82.3	Confident	83.1	Confident	155 Å²	155	58 Å²	58	67%	0.674	34%	0.336	S	S	*	.	H	α-helix	trans	-61.3	-34.8	173.9	-68.5	-175.7	177.1	-171.3	0	112.2	T710 M711 G718	T710-K714 PolarHBondContact O-N 2.87Å; M711-K714 PolarHBondContact O-N 3.23Å; K714-G718 PolarHBondContact O-N 2.84Å
715	L	86.2	Confident	83.3	Confident	10 Å²	10	57.7 Å²	57.7	5%	0.052	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-41.6	176.2	-175.9	61.5	0	0	0	111.7	Y696 L699 L700 A703 M711 V712 G713 A719 V727 T731	Y696-L715 HydrophobicContact CD1-CD1 3.55Å; Y696-L715 HydrophobicContact CE1-CD1 4Å; L699-L715 HydrophobicContact CB-CD1 3.51Å; L699-L715 HydrophobicContact CB-CD2 4.03Å; L699-L715 HydrophobicContact CB-CG 4.43Å; L699-L715 HydrophobicContact CD1-CD1 3.68Å; L699-L715 HydrophobicContact CG-CD1 4.23Å; L700-L715 HydrophobicContact CB-CD2 4.03Å; L700-L715 HydrophobicContact CD1-CD2 4.33Å; A703-L715 HydrophobicContact CB-CD2 4.34Å; M711-L715 VanDerWaalsContact O-CB 3.27Å; M711-L715 WeakPolarHBondContact O-CB 3.31Å; M711-L715 PolarHBondContact O-N 3.07Å; V712-L715 PolarHBondContact O-N 2.7Å; G713-L715 PolarHBondContact O-N 3.12Å; L715-A719 WeakPolarHBondContact O-CB 3.11Å; L715-A719 PolarHBondContact O-N 2.98Å; L715-V727 HydrophobicContact CG-CG1 4.41Å; L715-T731 HydrophobicContact CB-CG2 4.4Å; L715-T731 HydrophobicContact CD2-CG2 3.77Å; L715-T731 HydrophobicContact CG-CG2 4Å
716	A	84.8	Confident	83.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63.7	-47.9	176.5	0	0	0	0	0	112.1	V712 G713 A719 E720 T731 Y732	V712-A716 PolarHBondContact O-N 2.79Å; G713-A716 WeakPolarHBondContact O-CB 3.26Å; G713-A716 PolarHBondContact O-N 3.46Å; A716-A719 PolarHBondContact O-N 3.43Å; A716-E720 WeakPolarHBondContact O-CB 3.27Å; A716-E720 PolarHBondContact O-N 3.06Å; A716-T731 VanDerWaalsContact CA-OG1 3.22Å; A716-T731 WeakPolarHBondContact CA-OG1 3.46Å; A716-T731 WeakPolarHBondContact CB-OG1 3.44Å; A716-Y732 HydrophobicContact CB-CD1 3.49Å; A716-Y732 VanDerWaalsContact CB-CD1 3.49Å; A716-Y732 HydrophobicContact CB-CD2 4.35Å; A716-Y732 HydrophobicContact CB-CE1 3.31Å; A716-Y732 HydrophobicContact CB-CE2 4.21Å; A716-Y732 HydrophobicContact CB-CG 4.02Å
717	E	85.1	Confident	84.1	Confident	108 Å²	108	57.7 Å²	57.7	51%	0.505	32%	0.316	S	S	.	.	H	α-helix	trans	-64.6	-39.9	179.8	-69.5	162.9	-161.2	0	0	111.9	G713 R721	G713-E717 PolarHBondContact O-N 3.21Å; G713-E717 VanDerWaalsContact O-N 3.12Å; E717-R721 WeakPolarHBondContact O-CB 3.38Å; E717-R721 PolarHBondContact O-N 2.88Å; E717-R721 VanDerWaalsContact O-N 3.14Å
718	G	84.1	Confident	84.6	Confident	9 Å²	9	55.1 Å²	55.1	9%	0.093	29%	0.289	C	S	.	.	H	α-helix	trans	-68	-44.9	173.3	0	0	0	0	0	113	K714 E720 R721 D722	K714-G718 PolarHBondContact O-N 2.84Å; G718-E720 VanDerWaalsContact C-N 3.32Å; G718-E720 PolarHBondContact O-N 3.4Å; G718-R721 PolarHBondContact O-N 2.81Å; G718-D722 WeakPolarHBondContact O-CB 3.47Å; G718-D722 PolarHBondContact O-N 3.04Å
719	A	86.8	Confident	85.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.4	-33.4	178.1	0	0	0	0	0	112.6	Y696 L715 A716 G723 K724 V727 A728	Y696-A719 HydrophobicContact CD1-CB 3.81Å; Y696-A719 HydrophobicContact CE1-CB 4.02Å; L715-A719 WeakPolarHBondContact O-CB 3.11Å; L715-A719 PolarHBondContact O-N 2.98Å; A716-A719 PolarHBondContact O-N 3.43Å; A719-G723 PolarHBondContact O-N 3.17Å; A719-K724 HydrophobicContact CB-CB 4.17Å; A719-K724 CarbonylContact O-C 2.86Å; A719-K724 WeakPolarHBondContact O-CA 3.3Å; A719-K724 PolarHBondContact O-N 3.04Å; A719-V727 HydrophobicContact CB-CB 4.13Å; A719-V727 HydrophobicContact CB-CG1 4.16Å; A719-A728 HydrophobicContact CB-CB 3.92Å
720	E	86.3	Confident	85.7	Confident	49 Å²	49	56.7 Å²	56.7	23%	0.229	29%	0.288	C	S	.	.	H	α-helix	trans	-69.5	-44.4	173.8	-173.1	179.7	174.2	0	0	111.3	A716 G718 D722 G723 A728 Y732 L744 K747	A716-E720 WeakPolarHBondContact O-CB 3.27Å; A716-E720 PolarHBondContact O-N 3.06Å; G718-E720 VanDerWaalsContact C-N 3.32Å; G718-E720 PolarHBondContact O-N 3.4Å; E720-D722 VanDerWaalsContact C-N 3.33Å; E720-D722 PolarHBondContact O-N 3.32Å; E720-G723 PolarHBondContact O-N 3.43Å; E720-A728 HydrophobicContact CB-CB 4.09Å; E720-Y732 WeakPolarHBondContact OE2-CE2 3.14Å; E720-Y732 PolarHBondContact OE2-OH 2.82Å; E720-L744 HydrophobicContact CG-CD1 4.48Å; E720-K747 IonicContact OE1-NZ 3.98Å; E720-K747 PolarHBondContact OE1-NZ 3.5Å
721	R	86.4	Confident	86	Confident	183 Å²	183	51.8 Å²	51.8	69%	0.691	26%	0.258	S	S	*	.	H	α-helix	trans	-61.1	-40.6	176.6	-172.5	-163.8	68.3	-167.9	-4.9	112.1	E717 G718 G723	E717-R721 WeakPolarHBondContact O-CB 3.38Å; E717-R721 PolarHBondContact O-N 2.88Å; E717-R721 VanDerWaalsContact O-N 3.14Å; G718-R721 PolarHBondContact O-N 2.81Å; R721-G723 VanDerWaalsContact C-N 3.3Å; R721-G723 PolarHBondContact O-N 2.99Å
722	D	83.8	Confident	86.3	Confident	46 Å²	46	51.4 Å²	51.4	25%	0.246	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	16.7	-175.7	-58.8	1.1	0	0	0	112.1	Y696 G718 E720 K724	Y696-D722 HydrophobicContact CE2-CB 4.13Å; Y696-D722 PolarHBondContact OH-OD2 3.32Å; G718-D722 WeakPolarHBondContact O-CB 3.47Å; G718-D722 PolarHBondContact O-N 3.04Å; E720-D722 VanDerWaalsContact C-N 3.33Å; E720-D722 PolarHBondContact O-N 3.32Å; D722-K724 VanDerWaalsContact C-N 3.25Å; D722-K724 PolarHBondContact O-N 3.26Å; D722-K724 VanDerWaalsContact O-N 3.16Å
723	G	86.1	Confident	86.5	Confident	45 Å²	45	54.4 Å²	54.4	46%	0.464	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	6.2	171.7	0	0	0	0	0	116.3	A719 E720 R721 N725	A719-G723 PolarHBondContact O-N 3.17Å; E720-G723 PolarHBondContact O-N 3.43Å; R721-G723 VanDerWaalsContact C-N 3.3Å; R721-G723 PolarHBondContact O-N 2.99Å; G723-N725 PolarHBondContact O-N 3.29Å; G723-N725 PolarHBondContact O-ND2 2.79Å
724	K	88.3	Confident	86.5	Confident	105 Å²	105	58.8 Å²	58.8	46%	0.457	29%	0.289	S	S	.	.			trans	-79.8	57.9	179.6	-54.1	-54.3	-177.9	-176.8	0	111.6	Y696 A719 D722 N726 V727 A728	Y696-K724 HydrophobicContact CD2-CG 3.78Å; Y696-K724 HydrophobicContact CE2-CG 4.27Å; Y696-K724 HydrophobicContact CG-CG 4.22Å; A719-K724 HydrophobicContact CB-CB 4.17Å; A719-K724 CarbonylContact O-C 2.86Å; A719-K724 WeakPolarHBondContact O-CA 3.3Å; A719-K724 PolarHBondContact O-N 3.04Å; D722-K724 VanDerWaalsContact C-N 3.25Å; D722-K724 PolarHBondContact O-N 3.26Å; D722-K724 VanDerWaalsContact O-N 3.16Å; K724-N726 VanDerWaalsContact C-N 3.27Å; K724-N726 PolarHBondContact O-N 2.89Å; K724-V727 PolarHBondContact O-N 2.91Å; K724-A728 PolarHBondContact O-N 3.29Å; K724-A728 VanDerWaalsContact O-N 3.15Å
725	N	88.8	Confident	86.4	Confident	57 Å²	57	54 Å²	54	31%	0.305	27%	0.269	S	S	.	.	H	α-helix	trans	-47.4	-40	-171.5	-70.7	-44	0	0	0	114.7	G723 V727 A728 F729 L744 T748	G723-N725 PolarHBondContact O-N 3.29Å; G723-N725 PolarHBondContact O-ND2 2.79Å; N725-V727 PolarHBondContact O-N 2.95Å; N725-A728 PolarHBondContact O-N 3.2Å; N725-F729 VanDerWaalsContact O-CB 3.3Å; N725-F729 WeakPolarHBondContact O-CB 3.39Å; N725-F729 PolarHBondContact O-N 2.94Å; N725-L744 HydrophobicContact CB-CD2 4.19Å; N725-T748 HydrophobicContact CB-CG2 4.42Å
726	N	90	Very high	86	Confident	129 Å²	129	55.5 Å²	55.5	69%	0.69	29%	0.287	S	S	*	.	H	α-helix	trans	-65.3	-38.8	179.5	-65.4	-0.5	0	0	0	112.6	K724 M730	K724-N726 VanDerWaalsContact C-N 3.27Å; K724-N726 PolarHBondContact O-N 2.89Å; N726-M730 WeakPolarHBondContact O-CB 3.47Å; N726-M730 WeakPolarHBondContact O-CG 3.36Å; N726-M730 PolarHBondContact O-N 3.29Å
727	V	88.5	Confident	86	Confident	27 Å²	27	58.7 Å²	58.7	16%	0.164	30%	0.301	C	S	.	.	H	α-helix	trans	-73.6	-41.2	177.5	179.9	0	0	0	0	110.2	L700 L715 A719 K724 N725 M730 T731	L700-V727 HydrophobicContact CB-CG1 4.46Å; L700-V727 HydrophobicContact CD2-CG1 4.5Å; L715-V727 HydrophobicContact CG-CG1 4.41Å; A719-V727 HydrophobicContact CB-CB 4.13Å; A719-V727 HydrophobicContact CB-CG1 4.16Å; K724-V727 PolarHBondContact O-N 2.91Å; N725-V727 PolarHBondContact O-N 2.95Å; V727-M730 PolarHBondContact O-N 3.46Å; V727-T731 HydrophobicContact CG1-CG2 4.24Å; V727-T731 WeakPolarHBondContact O-CB 3.03Å; V727-T731 WeakPolarHBondContact O-CG2 3.18Å; V727-T731 PolarHBondContact O-N 2.86Å; V727-T731 PolarHBondContact O-OG1 2.8Å
728	A	88.4	Confident	86	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-46.6	173.7	0	0	0	0	0	111.8	A719 E720 K724 N725 T731 Y732 L744	A719-A728 HydrophobicContact CB-CB 3.92Å; E720-A728 HydrophobicContact CB-CB 4.09Å; K724-A728 PolarHBondContact O-N 3.29Å; K724-A728 VanDerWaalsContact O-N 3.15Å; N725-A728 PolarHBondContact O-N 3.2Å; A728-T731 WeakPolarHBondContact CA-OG1 3.39Å; A728-T731 PolarHBondContact O-N 3.08Å; A728-T731 PolarHBondContact O-OG1 3.3Å; A728-Y732 HydrophobicContact CB-CE2 4.36Å; A728-Y732 WeakPolarHBondContact O-CB 3.15Å; A728-Y732 WeakPolarHBondContact O-CD2 3.32Å; A728-Y732 PolarHBondContact O-N 2.71Å; A728-L744 HydrophobicContact CB-CD1 3.56Å
729	F	89.9	Confident	86.1	Confident	48 Å²	48	57.8 Å²	57.8	21%	0.211	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-49.5	175.9	-175.3	-91.5	0	0	0	112.1	N725 T731 Y732 F733 C741 L744 L745 L757	N725-F729 VanDerWaalsContact O-CB 3.3Å; N725-F729 WeakPolarHBondContact O-CB 3.39Å; N725-F729 PolarHBondContact O-N 2.94Å; F729-T731 PolarHBondContact O-N 2.95Å; F729-Y732 PolarHBondContact O-N 3.47Å; F729-F733 VanDerWaalsContact O-CB 3.22Å; F729-F733 WeakPolarHBondContact O-CB 3.34Å; F729-F733 PolarHBondContact O-N 2.86Å; F729-C741 HydrophobicContact CD2-CB 4.01Å; F729-C741 HydrophobicContact CE2-CB 3.73Å; F729-C741 HydrophobicContact CZ-CB 4.47Å; F729-L744 HydrophobicContact CB-CD2 4.28Å; F729-L744 HydrophobicContact CD2-CD2 4.47Å; F729-L745 HydrophobicContact CD2-CD2 4.31Å; F729-L745 HydrophobicContact CD2-CG 4.17Å; F729-L745 HydrophobicContact CE2-CD1 3.69Å; F729-L745 HydrophobicContact CE2-CD2 4.18Å; F729-L745 HydrophobicContact CE2-CG 3.82Å; F729-L745 HydrophobicContact CZ-CD1 4.34Å; F729-L757 HydrophobicContact CE2-CD2 4.1Å; F729-L757 HydrophobicContact CZ-CD1 4.2Å; F729-L757 HydrophobicContact CZ-CD2 4.37Å
730	M	87.8	Confident	86.1	Confident	89 Å²	89	61.2 Å²	61.2	44%	0.438	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-41.7	178.9	-76.4	-62.7	-67.6	0	0	112.4	N726 V727 F733 L734	N726-M730 WeakPolarHBondContact O-CB 3.47Å; N726-M730 WeakPolarHBondContact O-CG 3.36Å; N726-M730 PolarHBondContact O-N 3.29Å; V727-M730 PolarHBondContact O-N 3.46Å; M730-F733 PolarHBondContact O-N 2.76Å; M730-L734 WeakPolarHBondContact O-CB 3.45Å; M730-L734 WeakPolarHBondContact O-CD1 3.46Å; M730-L734 WeakPolarHBondContact O-CG 3.49Å; M730-L734 PolarHBondContact O-N 2.68Å
731	T	87.4	Confident	86.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-69.1	-43.2	178.8	46.7	0	0	0	0	112.4	L700 V712 L715 A716 V727 A728 F729 F733 L734 Q735	L700-T731 HydrophobicContact CD1-CG2 3.62Å; V712-T731 HydrophobicContact CG1-CG2 4Å; L715-T731 HydrophobicContact CB-CG2 4.4Å; L715-T731 HydrophobicContact CD2-CG2 3.77Å; L715-T731 HydrophobicContact CG-CG2 4Å; A716-T731 VanDerWaalsContact CA-OG1 3.22Å; A716-T731 WeakPolarHBondContact CA-OG1 3.46Å; A716-T731 WeakPolarHBondContact CB-OG1 3.44Å; V727-T731 HydrophobicContact CG1-CG2 4.24Å; V727-T731 WeakPolarHBondContact O-CB 3.03Å; V727-T731 WeakPolarHBondContact O-CG2 3.18Å; V727-T731 PolarHBondContact O-N 2.86Å; V727-T731 PolarHBondContact O-OG1 2.8Å; A728-T731 WeakPolarHBondContact CA-OG1 3.39Å; A728-T731 PolarHBondContact O-N 3.08Å; A728-T731 PolarHBondContact O-OG1 3.3Å; F729-T731 PolarHBondContact O-N 2.95Å; T731-F733 VanDerWaalsContact C-N 3.34Å; T731-F733 PolarHBondContact O-N 2.69Å; T731-L734 PolarHBondContact O-N 2.94Å; T731-Q735 WeakPolarHBondContact O-CG 3.35Å; T731-Q735 PolarHBondContact O-N 2.63Å; T731-Q735 VanDerWaalsContact O-N 3.13Å
732	Y	87.1	Confident	86.3	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-39	172.8	-70.4	-45.4	0	0	0	112.2	A716 E720 A728 F729 Q735 G736 K737 Q740 C741 L744	A716-Y732 HydrophobicContact CB-CD1 3.49Å; A716-Y732 VanDerWaalsContact CB-CD1 3.49Å; A716-Y732 HydrophobicContact CB-CD2 4.35Å; A716-Y732 HydrophobicContact CB-CE1 3.31Å; A716-Y732 HydrophobicContact CB-CE2 4.21Å; A716-Y732 HydrophobicContact CB-CG 4.02Å; E720-Y732 WeakPolarHBondContact OE2-CE2 3.14Å; E720-Y732 PolarHBondContact OE2-OH 2.82Å; A728-Y732 HydrophobicContact CB-CE2 4.36Å; A728-Y732 WeakPolarHBondContact O-CB 3.15Å; A728-Y732 WeakPolarHBondContact O-CD2 3.32Å; A728-Y732 PolarHBondContact O-N 2.71Å; F729-Y732 PolarHBondContact O-N 3.47Å; Y732-Q735 PolarHBondContact O-N 3.11Å; Y732-G736 PolarHBondContact O-N 2.85Å; Y732-K737 HydrophobicContact CD1-CB 4.46Å; Y732-K737 HydrophobicContact CD1-CD 4.18Å; Y732-K737 PolarHBondContact O-N 3.19Å; Y732-Q740 HydrophobicContact CD1-CB 4.06Å; Y732-Q740 HydrophobicContact CD2-CB 4.02Å; Y732-Q740 HydrophobicContact CE1-CB 4.25Å; Y732-Q740 HydrophobicContact CE2-CB 4.21Å; Y732-Q740 HydrophobicContact CG-CB 3.95Å; Y732-C741 VanDerWaalsContact C-SG 3.54Å; Y732-C741 WeakPolarHBondContact CB-SG 3.34Å; Y732-L744 HydrophobicContact CD2-CD1 4.34Å; Y732-L744 HydrophobicContact CE2-CD1 4.29Å
733	F	86.8	Confident	86.6	Confident	72 Å²	72	51.4 Å²	51.4	32%	0.316	27%	0.274	S	S	.	.	H	α-helix	trans	-66.9	-44.4	178.1	-173.1	-102.9	0	0	0	111.8	F729 M730 T731 Q735 G736 L738 C741 Y761	F729-F733 VanDerWaalsContact O-CB 3.22Å; F729-F733 WeakPolarHBondContact O-CB 3.34Å; F729-F733 PolarHBondContact O-N 2.86Å; M730-F733 PolarHBondContact O-N 2.76Å; T731-F733 VanDerWaalsContact C-N 3.34Å; T731-F733 PolarHBondContact O-N 2.69Å; F733-Q735 PolarHBondContact O-N 2.75Å; F733-G736 PolarHBondContact O-N 3.35Å; F733-L738 HydrophobicContact CD2-CD2 4.07Å; F733-L738 HydrophobicContact CE2-CD2 4.12Å; F733-C741 PolarHBondContact N-SG 2.82Å; F733-Y761 HydrophobicContact CE2-CE2 4.1Å; F733-Y761 HydrophobicContact CZ-CE2 4.42Å
734	L	82.2	Confident	86.8	Confident	100 Å²	100	49.5 Å²	49.5	52%	0.524	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-24.5	173.6	-73.5	166.8	0	0	0	113.2	L700 T704 M730 T731	L700-L734 HydrophobicContact CD1-CD1 4.31Å; T704-L734 HydrophobicContact CG2-CD1 3.85Å; M730-L734 WeakPolarHBondContact O-CB 3.45Å; M730-L734 WeakPolarHBondContact O-CD1 3.46Å; M730-L734 WeakPolarHBondContact O-CG 3.49Å; M730-L734 PolarHBondContact O-N 2.68Å; T731-L734 PolarHBondContact O-N 2.94Å
735	Q	78.9	Confident	86.8	Confident	54 Å²	54	45 Å²	45	25%	0.252	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-4.5	171.8	-70.1	-168.8	-28.8	0	0	114.3	A709 V712 T731 Y732 F733 K737	A709-Q735 PolarHBondContact O-NE2 2.84Å; V712-Q735 HydrophobicContact CB-CG 4.41Å; V712-Q735 HydrophobicContact CG1-CG 3.75Å; T731-Q735 WeakPolarHBondContact O-CG 3.35Å; T731-Q735 PolarHBondContact O-N 2.63Å; T731-Q735 VanDerWaalsContact O-N 3.13Å; Y732-Q735 PolarHBondContact O-N 3.11Å; F733-Q735 PolarHBondContact O-N 2.75Å; Q735-K737 HydrophobicContact CB-CD 4.49Å; Q735-K737 HydrophobicContact CB-CG 3.92Å; Q735-K737 PolarHBondContact O-N 3.14Å
736	G	79.6	Confident	86.9	Confident	42 Å²	42	43.9 Å²	43.9	43%	0.433	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	16.3	-172.2	0	0	0	0	0	114	Y732 F733 L738	Y732-G736 PolarHBondContact O-N 2.85Å; F733-G736 PolarHBondContact O-N 3.35Å; G736-L738 PolarHBondContact O-N 2.94Å
737	K	83.8	Confident	86.8	Confident	67 Å²	67	44.6 Å²	44.6	29%	0.291	22%	0.224	S	C	.	.			trans	-82	58.2	178.6	-64.1	-166.6	-167.6	154.2	0	111.3	Y732 Q735 D739 Q740 C741	Y732-K737 HydrophobicContact CD1-CB 4.46Å; Y732-K737 HydrophobicContact CD1-CD 4.18Å; Y732-K737 PolarHBondContact O-N 3.19Å; Q735-K737 HydrophobicContact CB-CD 4.49Å; Q735-K737 HydrophobicContact CB-CG 3.92Å; Q735-K737 PolarHBondContact O-N 3.14Å; K737-D739 PolarHBondContact O-N 3.47Å; K737-D739 VanDerWaalsContact O-N 3.16Å; K737-Q740 HydrophobicContact CB-CB 4.42Å; K737-Q740 HydrophobicContact CB-CG 4.49Å; K737-Q740 PolarHBondContact O-N 3.09Å; K737-C741 PolarHBondContact O-N 2.68Å
738	L	84.6	Confident	86.8	Confident	39 Å²	39	45.5 Å²	45.5	20%	0.204	23%	0.23	C	C	.	.	H	α-helix	trans	-55	-35.5	-173.7	-64.2	163.7	0	0	0	113.2	F733 G736 Q740 C741 L742 Y761 L762	F733-L738 HydrophobicContact CD2-CD2 4.07Å; F733-L738 HydrophobicContact CE2-CD2 4.12Å; G736-L738 PolarHBondContact O-N 2.94Å; L738-Q740 VanDerWaalsContact C-N 3.31Å; L738-Q740 PolarHBondContact O-N 3.38Å; L738-C741 WeakPolarHBondContact O-CB 3.42Å; L738-C741 PolarHBondContact O-N 2.67Å; L738-L742 WeakPolarHBondContact O-CB 3.4Å; L738-L742 PolarHBondContact O-N 2.91Å; L738-Y761 HydrophobicContact CD2-CD1 4.46Å; L738-Y761 HydrophobicContact CD2-CG 4.12Å; L738-L762 HydrophobicContact CB-CD1 3.74Å; L738-L762 HydrophobicContact CB-CD2 4.42Å; L738-L762 HydrophobicContact CB-CG 3.99Å
739	D	86.4	Confident	86.8	Confident	60 Å²	60	50.5 Å²	50.5	32%	0.321	26%	0.257	S	S	.	.	H	α-helix	trans	-59.8	-40.2	175.6	-64.1	-55.6	0	0	0	111.2	K737 L742 E743 R812	K737-D739 PolarHBondContact O-N 3.47Å; K737-D739 VanDerWaalsContact O-N 3.16Å; D739-L742 PolarHBondContact O-N 2.92Å; D739-E743 WeakPolarHBondContact O-CG 3.42Å; D739-E743 PolarHBondContact O-N 3.47Å; D739-E743 VanDerWaalsContact O-N 3.11Å; D739-R812 IonicContact OD1-NH1 2.87Å; D739-R812 IonicContact OD1-NH2 3.01Å; D739-R812 IonicContact OD2-CZ 3.88Å; D739-R812 IonicContact OD2-NH1 3.01Å; D739-R812 IonicContact OD2-NH2 3.95Å; D739-R812 PolarHBondContact OD2-NH2 3.5Å
740	Q	86.8	Confident	86.7	Confident	71 Å²	71	53.9 Å²	53.9	33%	0.332	27%	0.268	S	S	.	.	H	α-helix	trans	-73.4	-37.4	177.1	-63.4	-165.3	-83.5	0	0	112.3	Y732 K737 L738 L742 E743 L744	Y732-Q740 HydrophobicContact CD1-CB 4.06Å; Y732-Q740 HydrophobicContact CD2-CB 4.02Å; Y732-Q740 HydrophobicContact CE1-CB 4.25Å; Y732-Q740 HydrophobicContact CE2-CB 4.21Å; Y732-Q740 HydrophobicContact CG-CB 3.95Å; K737-Q740 HydrophobicContact CB-CB 4.42Å; K737-Q740 HydrophobicContact CB-CG 4.49Å; K737-Q740 PolarHBondContact O-N 3.09Å; L738-Q740 VanDerWaalsContact C-N 3.31Å; L738-Q740 PolarHBondContact O-N 3.38Å; Q740-L742 PolarHBondContact O-N 2.78Å; Q740-E743 PolarHBondContact O-N 3.1Å; Q740-L744 WeakPolarHBondContact O-CB 3.47Å; Q740-L744 PolarHBondContact O-N 2.89Å
741	C	88.4	Confident	86.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-57.5	-40.7	171.8	-58.2	0	0	0	0	111.7	F729 Y732 F733 K737 L738 L744 L745 L757	F729-C741 HydrophobicContact CD2-CB 4.01Å; F729-C741 HydrophobicContact CE2-CB 3.73Å; F729-C741 HydrophobicContact CZ-CB 4.47Å; Y732-C741 VanDerWaalsContact C-SG 3.54Å; Y732-C741 WeakPolarHBondContact CB-SG 3.34Å; F733-C741 PolarHBondContact N-SG 2.82Å; K737-C741 PolarHBondContact O-N 2.68Å; L738-C741 WeakPolarHBondContact O-CB 3.42Å; L738-C741 PolarHBondContact O-N 2.67Å; C741-L744 PolarHBondContact O-N 3.3Å; C741-L745 PolarHBondContact O-N 3.34Å; C741-L745 VanDerWaalsContact O-N 3.16Å; C741-L757 HydrophobicContact CB-CD2 3.86Å
742	L	89.2	Confident	86.8	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-70.1	-46.9	-179.1	-170.1	68.5	0	0	0	112.1	L738 D739 Q740 L744 L745 I746 A754 L757 A758 L762 Q765 V769	L738-L742 WeakPolarHBondContact O-CB 3.4Å; L738-L742 PolarHBondContact O-N 2.91Å; D739-L742 PolarHBondContact O-N 2.92Å; Q740-L742 PolarHBondContact O-N 2.78Å; L742-L744 VanDerWaalsContact C-N 3.26Å; L742-L744 PolarHBondContact O-N 2.86Å; L742-L745 PolarHBondContact O-N 2.92Å; L742-I746 HydrophobicContact CG-CD1 4.19Å; L742-I746 WeakPolarHBondContact O-CG1 3.36Å; L742-I746 PolarHBondContact O-N 2.91Å; L742-A754 HydrophobicContact CD1-CB 3.86Å; L742-A754 VanDerWaalsContact CD1-O 3.28Å; L742-A754 WeakPolarHBondContact CD1-O 3.4Å; L742-L757 HydrophobicContact CB-CD2 4.37Å; L742-L757 HydrophobicContact CD1-CD2 4.23Å; L742-A758 HydrophobicContact CD1-CB 4.1Å; L742-A758 HydrophobicContact CD2-CB 4.47Å; L742-L762 HydrophobicContact CB-CD1 4.46Å; L742-L762 HydrophobicContact CD2-CD1 4.24Å; L742-Q765 HydrophobicContact CD2-CB 3.5Å; L742-Q765 HydrophobicContact CD2-CG 3.78Å; L742-V769 HydrophobicContact CD1-CG2 4.07Å; L742-V769 HydrophobicContact CD2-CG2 4.1Å; L742-V769 HydrophobicContact CG-CG2 4.35Å
743	E	90.1	Very high	86.9	Confident	70 Å²	70	56.6 Å²	56.6	33%	0.327	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-34.5	175.1	-64.5	-62.9	166.8	0	0	111.8	D739 Q740 I746 K747 R768	D739-E743 WeakPolarHBondContact O-CG 3.42Å; D739-E743 PolarHBondContact O-N 3.47Å; D739-E743 VanDerWaalsContact O-N 3.11Å; Q740-E743 PolarHBondContact O-N 3.1Å; E743-I746 PolarHBondContact O-N 3.01Å; E743-K747 WeakPolarHBondContact O-CB 3.32Å; E743-K747 VanDerWaalsContact O-CG 3.27Å; E743-K747 WeakPolarHBondContact O-CG 3.34Å; E743-K747 PolarHBondContact O-N 2.98Å; E743-R768 VanDerWaalsContact CD-NH2 3.27Å; E743-R768 IonicContact OE1-CZ 3.34Å; E743-R768 IonicContact OE1-NH1 2.71Å; E743-R768 PolarHBondContact OE1-NH1 3.14Å; E743-R768 IonicContact OE1-NH2 3.33Å; E743-R768 PolarHBondContact OE1-NH2 2.81Å; E743-R768 IonicContact OE2-CZ 2.7Å; E743-R768 IonicContact OE2-NH2 3.85Å; E743-R768 PolarHBondContact OE2-NH2 2.84Å
744	L	89.3	Confident	87	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-41.8	176.1	-171.3	153	0	0	0	112.2	E720 N725 A728 F729 Y732 Q740 C741 L742 I746 K747 T748	E720-L744 HydrophobicContact CG-CD1 4.48Å; N725-L744 HydrophobicContact CB-CD2 4.19Å; A728-L744 HydrophobicContact CB-CD1 3.56Å; F729-L744 HydrophobicContact CB-CD2 4.28Å; F729-L744 HydrophobicContact CD2-CD2 4.47Å; Y732-L744 HydrophobicContact CD2-CD1 4.34Å; Y732-L744 HydrophobicContact CE2-CD1 4.29Å; Q740-L744 WeakPolarHBondContact O-CB 3.47Å; Q740-L744 PolarHBondContact O-N 2.89Å; C741-L744 PolarHBondContact O-N 3.3Å; L742-L744 VanDerWaalsContact C-N 3.26Å; L742-L744 PolarHBondContact O-N 2.86Å; L744-I746 VanDerWaalsContact C-N 3.33Å; L744-K747 PolarHBondContact O-N 3.49Å; L744-T748 HydrophobicContact CD2-CG2 4.49Å; L744-T748 WeakPolarHBondContact O-CG2 3.15Å; L744-T748 PolarHBondContact O-N 3.39Å; L744-T748 PolarHBondContact O-OG1 2.9Å
745	L	89.8	Confident	87.2	Confident	11 Å²	11	48.9 Å²	48.9	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-66.4	-33.9	172.8	-68.2	177	0	0	0	112.4	F729 C741 L742 T748 N749 R750 E753 A754 L757	F729-L745 HydrophobicContact CD2-CD2 4.31Å; F729-L745 HydrophobicContact CD2-CG 4.17Å; F729-L745 HydrophobicContact CE2-CD1 3.69Å; F729-L745 HydrophobicContact CE2-CD2 4.18Å; F729-L745 HydrophobicContact CE2-CG 3.82Å; F729-L745 HydrophobicContact CZ-CD1 4.34Å; C741-L745 PolarHBondContact O-N 3.34Å; C741-L745 VanDerWaalsContact O-N 3.16Å; L742-L745 PolarHBondContact O-N 2.92Å; L745-T748 WeakPolarHBondContact CA-OG1 3.44Å; L745-T748 PolarHBondContact O-OG1 2.84Å; L745-N749 PolarHBondContact O-N 2.9Å; L745-R750 HydrophobicContact CB-CB 4.44Å; L745-R750 HydrophobicContact CD2-CB 4.04Å; L745-R750 PolarHBondContact O-N 2.97Å; L745-E753 HydrophobicContact CD1-CB 4.22Å; L745-E753 HydrophobicContact CD2-CB 4.43Å; L745-A754 HydrophobicContact CB-CB 3.81Å; L745-A754 HydrophobicContact CD1-CB 4.38Å; L745-L757 HydrophobicContact CD1-CB 4.24Å; L745-L757 HydrophobicContact CD1-CD2 3.89Å
746	I	90.3	Very high	87.6	Confident	32 Å²	32	52.6 Å²	52.6	16%	0.164	26%	0.264	C	S	.	.	H	α-helix	trans	-67.9	-47	173.9	-66.3	165.4	0	0	0	110.8	L742 E743 L744 T748 N749 L751 A754 V769 L772	L742-I746 HydrophobicContact CG-CD1 4.19Å; L742-I746 WeakPolarHBondContact O-CG1 3.36Å; L742-I746 PolarHBondContact O-N 2.91Å; E743-I746 PolarHBondContact O-N 3.01Å; L744-I746 VanDerWaalsContact C-N 3.33Å; I746-T748 VanDerWaalsContact C-N 3.26Å; I746-T748 PolarHBondContact O-N 2.76Å; I746-N749 PolarHBondContact O-N 3.38Å; I746-L751 HydrophobicContact CG1-CD2 4.3Å; I746-L751 HydrophobicContact CG2-CD2 4.41Å; I746-A754 HydrophobicContact CG1-CB 4.34Å; I746-V769 HydrophobicContact CD1-CG2 4.31Å; I746-L772 HydrophobicContact CD1-CD1 4.46Å; I746-L772 HydrophobicContact CG2-CD1 4.21Å
747	K	88.5	Confident	88	Confident	145 Å²	145	51.4 Å²	51.4	63%	0.63	25%	0.248	S	C	*	.	H	α-helix	trans	-57.6	-37.8	176.2	-75.9	175.1	-175.4	-173.6	0	112.6	E720 E743 L744 N749	E720-K747 IonicContact OE1-NZ 3.98Å; E720-K747 PolarHBondContact OE1-NZ 3.5Å; E743-K747 WeakPolarHBondContact O-CB 3.32Å; E743-K747 VanDerWaalsContact O-CG 3.27Å; E743-K747 WeakPolarHBondContact O-CG 3.34Å; E743-K747 PolarHBondContact O-N 2.98Å; L744-K747 PolarHBondContact O-N 3.49Å; K747-N749 VanDerWaalsContact C-N 3.25Å; K747-N749 PolarHBondContact O-N 2.96Å
748	T	87.9	Confident	88.1	Confident	46 Å²	46	48.2 Å²	48.2	28%	0.282	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	8.7	177.5	52.8	0	0	0	0	113.6	N725 L744 L745 I746 R750	N725-T748 HydrophobicContact CB-CG2 4.42Å; L744-T748 HydrophobicContact CD2-CG2 4.49Å; L744-T748 WeakPolarHBondContact O-CG2 3.15Å; L744-T748 PolarHBondContact O-N 3.39Å; L744-T748 PolarHBondContact O-OG1 2.9Å; L745-T748 WeakPolarHBondContact CA-OG1 3.44Å; L745-T748 PolarHBondContact O-OG1 2.84Å; I746-T748 VanDerWaalsContact C-N 3.26Å; I746-T748 PolarHBondContact O-N 2.76Å; T748-R750 PolarHBondContact O-N 2.99Å; T748-R750 VanDerWaalsContact O-N 3.1Å
749	N	87.2	Confident	88.1	Confident	104 Å²	104	54.3 Å²	54.3	56%	0.556	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	17.6	-179.2	-163.8	34.1	0	0	0	114.6	L745 I746 K747 L751	L745-N749 PolarHBondContact O-N 2.9Å; I746-N749 PolarHBondContact O-N 3.38Å; K747-N749 VanDerWaalsContact C-N 3.25Å; K747-N749 PolarHBondContact O-N 2.96Å; N749-L751 PolarHBondContact O-N 2.84Å; N749-L751 WeakPolarHBondContact OD1-CD1 3.39Å
750	R	88.8	Confident	87.9	Confident	120 Å²	120	55.8 Å²	55.8	45%	0.453	27%	0.265	S	S	.	.			trans	-80.4	53.4	175.8	-74	179.8	165.5	-121.7	-0.7	111.3	L745 T748 P752 E753 A754	L745-R750 HydrophobicContact CB-CB 4.44Å; L745-R750 HydrophobicContact CD2-CB 4.04Å; L745-R750 PolarHBondContact O-N 2.97Å; T748-R750 PolarHBondContact O-N 2.99Å; T748-R750 VanDerWaalsContact O-N 3.1Å; R750-P752 VanDerWaalsContact C-CD 3.49Å; R750-E753 HydrophobicContact CB-CB 4.28Å; R750-E753 WeakPolarHBondContact CD-OE1 3.35Å; R750-E753 WeakPolarHBondContact CG-OE1 3.27Å; R750-E753 IonicContact CZ-OE1 3.64Å; R750-E753 IonicContact CZ-OE2 3.35Å; R750-E753 IonicContact NE-OE1 2.94Å; R750-E753 IonicContact NH1-OE1 3.13Å; R750-E753 PolarHBondContact NH1-OE1 2.92Å; R750-E753 IonicContact NH1-OE2 2.68Å; R750-E753 PolarHBondContact NH1-OE2 2.86Å; R750-E753 PolarHBondContact O-N 2.98Å; R750-A754 PolarHBondContact O-N 2.69Å
751	L	88.9	Confident	87.6	Confident	10 Å²	10	57.7 Å²	57.7	5%	0.052	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-34.6	-172	-59.1	173.2	0	0	0	114.8	I746 N749 A755 L772 W773	I746-L751 HydrophobicContact CG1-CD2 4.3Å; I746-L751 HydrophobicContact CG2-CD2 4.41Å; N749-L751 PolarHBondContact O-N 2.84Å; N749-L751 WeakPolarHBondContact OD1-CD1 3.39Å; L751-A755 WeakPolarHBondContact O-CB 3.45Å; L751-A755 PolarHBondContact O-N 3.5Å; L751-L772 HydrophobicContact CD2-CB 4.28Å; L751-W773 HydrophobicContact CB-CB 3.96Å; L751-W773 HydrophobicContact CB-CG 4.12Å
752	P	88.6	Confident	87.3	Confident	51 Å²	51	58.1 Å²	58.1	33%	0.331	27%	0.272	S	S	.	.	H	α-helix	trans	-64.7	-44.7	171.7	-19.4	31.4	0	0	0	112.5	R750 A754 A755 F756 W773	R750-P752 VanDerWaalsContact C-CD 3.49Å; P752-A754 VanDerWaalsContact C-N 3.35Å; P752-A754 PolarHBondContact O-N 3.05Å; P752-A755 WeakPolarHBondContact O-CB 3.17Å; P752-A755 PolarHBondContact O-N 3.03Å; P752-A755 VanDerWaalsContact O-N 3.11Å; P752-F756 WeakPolarHBondContact O-CD2 3.25Å; P752-F756 PolarHBondContact O-N 2.79Å; P752-W773 HydrophobicContact CB-CH2 4.2Å; P752-W773 HydrophobicContact CB-CZ2 3.92Å; P752-W773 HydrophobicContact CG-CD2 4.5Å; P752-W773 HydrophobicContact CG-CZ2 3.89Å
753	E	89.6	Confident	86.9	Confident	86 Å²	86	58.8 Å²	58.8	40%	0.402	28%	0.277	S	S	.	.	H	α-helix	trans	-63.7	-41.8	177.3	-64.5	167	-121.6	0	0	110.9	L745 R750 A755 F756 L757	L745-E753 HydrophobicContact CD1-CB 4.22Å; L745-E753 HydrophobicContact CD2-CB 4.43Å; R750-E753 HydrophobicContact CB-CB 4.28Å; R750-E753 WeakPolarHBondContact CD-OE1 3.35Å; R750-E753 WeakPolarHBondContact CG-OE1 3.27Å; R750-E753 IonicContact CZ-OE1 3.64Å; R750-E753 IonicContact CZ-OE2 3.35Å; R750-E753 IonicContact NE-OE1 2.94Å; R750-E753 IonicContact NH1-OE1 3.13Å; R750-E753 PolarHBondContact NH1-OE1 2.92Å; R750-E753 IonicContact NH1-OE2 2.68Å; R750-E753 PolarHBondContact NH1-OE2 2.86Å; R750-E753 PolarHBondContact O-N 2.98Å; E753-A755 VanDerWaalsContact C-N 3.28Å; E753-A755 PolarHBondContact O-N 2.92Å; E753-F756 PolarHBondContact O-N 3.05Å; E753-L757 WeakPolarHBondContact O-CB 3.08Å; E753-L757 PolarHBondContact O-N 2.8Å
754	A	88.4	Confident	86.6	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.9	-38.9	172.1	0	0	0	0	0	111.9	L742 L745 I746 R750 P752 L757 A758 V769	L742-A754 HydrophobicContact CD1-CB 3.86Å; L742-A754 VanDerWaalsContact CD1-O 3.28Å; L742-A754 WeakPolarHBondContact CD1-O 3.4Å; L745-A754 HydrophobicContact CB-CB 3.81Å; L745-A754 HydrophobicContact CD1-CB 4.38Å; I746-A754 HydrophobicContact CG1-CB 4.34Å; R750-A754 PolarHBondContact O-N 2.69Å; P752-A754 VanDerWaalsContact C-N 3.35Å; P752-A754 PolarHBondContact O-N 3.05Å; A754-L757 PolarHBondContact O-N 2.97Å; A754-A758 VanDerWaalsContact O-CB 3.26Å; A754-A758 WeakPolarHBondContact O-CB 3.35Å; A754-A758 PolarHBondContact O-N 2.79Å; A754-V769 HydrophobicContact CB-CG1 3.63Å
755	A	86.2	Confident	86.3	Confident	10 Å²	10	59.7 Å²	59.7	8%	0.083	29%	0.287	C	S	.	.	H	α-helix	trans	-69.2	-37.3	178.1	0	0	0	0	0	112.1	L751 P752 E753 R759 V769 V770 W773	L751-A755 WeakPolarHBondContact O-CB 3.45Å; L751-A755 PolarHBondContact O-N 3.5Å; P752-A755 WeakPolarHBondContact O-CB 3.17Å; P752-A755 PolarHBondContact O-N 3.03Å; P752-A755 VanDerWaalsContact O-N 3.11Å; E753-A755 VanDerWaalsContact C-N 3.28Å; E753-A755 PolarHBondContact O-N 2.92Å; A755-R759 VanDerWaalsContact O-CB 3.23Å; A755-R759 WeakPolarHBondContact O-CB 3.3Å; A755-R759 PolarHBondContact O-N 2.83Å; A755-V769 HydrophobicContact CB-CG1 4.01Å; A755-V770 HydrophobicContact CB-CG2 4.48Å; A755-W773 HydrophobicContact CB-CE3 3.96Å; A755-W773 HydrophobicContact CB-CZ3 4.12Å
756	F	88.2	Confident	86.1	Confident	132 Å²	132	59.7 Å²	59.7	58%	0.579	29%	0.287	S	S	*	.	H	α-helix	trans	-67.6	-43.6	171.8	-78	-69.6	0	0	0	112.3	P752 E753 R759 T760	P752-F756 WeakPolarHBondContact O-CD2 3.25Å; P752-F756 PolarHBondContact O-N 2.79Å; E753-F756 PolarHBondContact O-N 3.05Å; F756-R759 PolarHBondContact O-N 2.87Å; F756-T760 WeakPolarHBondContact O-CB 3.21Å; F756-T760 PolarHBondContact O-N 3.13Å; F756-T760 PolarHBondContact O-OG1 2.9Å
757	L	87.4	Confident	85.8	Confident	18 Å²	18	59.1 Å²	59.1	9%	0.094	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-48.6	176.1	-172.7	76.7	0	0	0	111	F729 C741 L742 L745 E753 A754 T760 Y761	F729-L757 HydrophobicContact CE2-CD2 4.1Å; F729-L757 HydrophobicContact CZ-CD1 4.2Å; F729-L757 HydrophobicContact CZ-CD2 4.37Å; C741-L757 HydrophobicContact CB-CD2 3.86Å; L742-L757 HydrophobicContact CB-CD2 4.37Å; L742-L757 HydrophobicContact CD1-CD2 4.23Å; L745-L757 HydrophobicContact CD1-CB 4.24Å; L745-L757 HydrophobicContact CD1-CD2 3.89Å; E753-L757 WeakPolarHBondContact O-CB 3.08Å; E753-L757 PolarHBondContact O-N 2.8Å; A754-L757 PolarHBondContact O-N 2.97Å; L757-T760 PolarHBondContact O-N 3.31Å; L757-Y761 HydrophobicContact CD1-CD2 3.72Å; L757-Y761 HydrophobicContact CD1-CE2 4.12Å; L757-Y761 HydrophobicContact CG-CD2 4.42Å; L757-Y761 PolarHBondContact O-N 2.69Å
758	A	85.8	Confident	85.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-47.7	175.1	0	0	0	0	0	111.1	L742 A754 T760 Y761 L762 Q765 V766 V769	L742-A758 HydrophobicContact CD1-CB 4.1Å; L742-A758 HydrophobicContact CD2-CB 4.47Å; A754-A758 VanDerWaalsContact O-CB 3.26Å; A754-A758 WeakPolarHBondContact O-CB 3.35Å; A754-A758 PolarHBondContact O-N 2.79Å; A758-T760 PolarHBondContact O-N 3.44Å; A758-T760 VanDerWaalsContact O-N 3.13Å; A758-Y761 PolarHBondContact O-N 2.82Å; A758-L762 CarbonylContact O-C 3.48Å; A758-L762 WeakPolarHBondContact O-CA 3.47Å; A758-L762 PolarHBondContact O-N 2.88Å; A758-L762 VanDerWaalsContact O-O 3.08Å; A758-Q765 HydrophobicContact CB-CB 4.44Å; A758-V766 VanDerWaalsContact C-CG2 3.46Å; A758-V766 HydrophobicContact CB-CB 4.47Å; A758-V766 HydrophobicContact CB-CG2 3.68Å; A758-V769 HydrophobicContact CB-CG2 4.35Å
759	R	84.1	Confident	85.7	Confident	167 Å²	167	54.7 Å²	54.7	63%	0.63	26%	0.26	S	S	*	.	H	α-helix	trans	-59.6	-29.2	179.3	-177.7	177.2	176.2	-174	-0.9	113.1	A755 F756 V766	A755-R759 VanDerWaalsContact O-CB 3.23Å; A755-R759 WeakPolarHBondContact O-CB 3.3Å; A755-R759 PolarHBondContact O-N 2.83Å; F756-R759 PolarHBondContact O-N 2.87Å; R759-V766 HydrophobicContact CB-CG2 4.22Å
760	T	82.6	Confident	85.7	Confident	91 Å²	91	50.2 Å²	50.2	56%	0.558	24%	0.237	S	C	*	.	H	α-helix	trans	-91.4	-38.5	-175.9	-49.1	0	0	0	0	112.7	F756 L757 A758	F756-T760 WeakPolarHBondContact O-CB 3.21Å; F756-T760 PolarHBondContact O-N 3.13Å; F756-T760 PolarHBondContact O-OG1 2.9Å; L757-T760 PolarHBondContact O-N 3.31Å; A758-T760 PolarHBondContact O-N 3.44Å; A758-T760 VanDerWaalsContact O-N 3.13Å
761	Y	79.7	Confident	85.6	Confident	110 Å²	110	48.2 Å²	48.2	43%	0.431	23%	0.231	S	C	.	.	H	α-helix	trans	-128.2	-19.9	-168.3	-60.3	-78.4	0	0	0	115.5	F733 L738 L757 A758	F733-Y761 HydrophobicContact CE2-CE2 4.1Å; F733-Y761 HydrophobicContact CZ-CE2 4.42Å; L738-Y761 HydrophobicContact CD2-CD1 4.46Å; L738-Y761 HydrophobicContact CD2-CG 4.12Å; L757-Y761 HydrophobicContact CD1-CD2 3.72Å; L757-Y761 HydrophobicContact CD1-CE2 4.12Å; L757-Y761 HydrophobicContact CG-CD2 4.42Å; L757-Y761 PolarHBondContact O-N 2.69Å; A758-Y761 PolarHBondContact O-N 2.82Å
762	L	83.4	Confident	85.6	Confident	9 Å²	9	50.4 Å²	50.4	5%	0.047	24%	0.243	C	C	.	.			trans	-137.7	65.1	177.1	-72.3	172.6	0	0	0	111.6	L738 L742 A758 S764 Q765	L738-L762 HydrophobicContact CB-CD1 3.74Å; L738-L762 HydrophobicContact CB-CD2 4.42Å; L738-L762 HydrophobicContact CB-CG 3.99Å; L742-L762 HydrophobicContact CB-CD1 4.46Å; L742-L762 HydrophobicContact CD2-CD1 4.24Å; A758-L762 CarbonylContact O-C 3.48Å; A758-L762 WeakPolarHBondContact O-CA 3.47Å; A758-L762 PolarHBondContact O-N 2.88Å; A758-L762 VanDerWaalsContact O-O 3.08Å; L762-S764 PolarHBondContact O-N 3.13Å; L762-Q765 HydrophobicContact CB-CB 4.45Å; L762-Q765 HydrophobicContact CB-CG 4.34Å; L762-Q765 PolarHBondContact O-N 2.8Å
763	P	81.3	Confident	85.5	Confident	16 Å²	16	50.9 Å²	50.9	10%	0.104	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-47.1	-37.8	-179.8	-31.4	35.4	0	0	0	114.1	Q765 V766 A804 F805 E808	P763-Q765 PolarHBondContact O-N 2.85Å; P763-V766 WeakPolarHBondContact O-CB 3.19Å; P763-V766 WeakPolarHBondContact O-CG2 3.24Å; P763-V766 PolarHBondContact O-N 3.28Å; P763-V766 VanDerWaalsContact O-N 3.13Å; P763-A804 HydrophobicContact CB-CB 4.32Å; P763-A804 HydrophobicContact CG-CB 3.99Å; P763-F805 HydrophobicContact CB-CD1 3.85Å; P763-F805 HydrophobicContact CB-CE1 3.93Å; P763-E808 VanDerWaalsContact CD-OE2 3.26Å; P763-E808 WeakPolarHBondContact CD-OE2 3.29Å
764	S	83.3	Confident	85.4	Confident	53 Å²	53	49.7 Å²	49.7	37%	0.371	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-54.7	-31.5	177.9	66.2	0	0	0	0	114.4	L762 E808	L762-S764 PolarHBondContact O-N 3.13Å; S764-E808 VanDerWaalsContact CB-OE1 3.3Å; S764-E808 WeakPolarHBondContact CB-OE1 3.41Å; S764-E808 VanDerWaalsContact CB-OE2 3.31Å; S764-E808 WeakPolarHBondContact CB-OE2 3.23Å; S764-E808 PolarHBondContact N-OE2 3.05Å; S764-E808 PolarHBondContact OG-OE1 2.85Å; S764-E808 PolarHBondContact OG-OE2 3.18Å
765	Q	83.6	Confident	85.3	Confident	42 Å²	42	55.5 Å²	55.5	20%	0.196	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-90.5	-9.7	-177.8	-62.1	-64.1	-41.9	0	0	113.4	L742 A758 L762 P763 S767 R768 V769	L742-Q765 HydrophobicContact CD2-CB 3.5Å; L742-Q765 HydrophobicContact CD2-CG 3.78Å; A758-Q765 HydrophobicContact CB-CB 4.44Å; L762-Q765 HydrophobicContact CB-CB 4.45Å; L762-Q765 HydrophobicContact CB-CG 4.34Å; L762-Q765 PolarHBondContact O-N 2.8Å; P763-Q765 PolarHBondContact O-N 2.85Å; Q765-S767 VanDerWaalsContact C-N 3.33Å; Q765-S767 PolarHBondContact O-N 2.82Å; Q765-R768 WeakPolarHBondContact O-CB 3.5Å; Q765-R768 PolarHBondContact O-N 3.4Å; Q765-R768 VanDerWaalsContact OE1-CD 3.29Å; Q765-V769 WeakPolarHBondContact O-CG2 3.23Å; Q765-V769 PolarHBondContact O-N 2.86Å; Q765-V769 VanDerWaalsContact O-N 3.07Å
766	V	85.1	Confident	85.3	Confident	12 Å²	12	56.5 Å²	56.5	7%	0.073	26%	0.263	C	S	.	.	H	α-helix	trans	-57.2	-43.9	-172.4	179.2	0	0	0	0	112.1	A758 R759 P763 R768 V769 V770 P791	A758-V766 VanDerWaalsContact C-CG2 3.46Å; A758-V766 HydrophobicContact CB-CB 4.47Å; A758-V766 HydrophobicContact CB-CG2 3.68Å; R759-V766 HydrophobicContact CB-CG2 4.22Å; P763-V766 WeakPolarHBondContact O-CB 3.19Å; P763-V766 WeakPolarHBondContact O-CG2 3.24Å; P763-V766 PolarHBondContact O-N 3.28Å; P763-V766 VanDerWaalsContact O-N 3.13Å; V766-R768 VanDerWaalsContact C-N 3.34Å; V766-R768 PolarHBondContact O-N 3.18Å; V766-V769 PolarHBondContact O-N 2.83Å; V766-V770 HydrophobicContact CG1-CG2 3.91Å; V766-V770 WeakPolarHBondContact O-CB 3.37Å; V766-V770 VanDerWaalsContact O-CG2 3.28Å; V766-V770 WeakPolarHBondContact O-CG2 3.27Å; V766-V770 PolarHBondContact O-N 2.8Å; V766-P791 HydrophobicContact CB-CG 4.45Å; V766-P791 HydrophobicContact CG1-CG 3.74Å
767	S	83.7	Confident	85.2	Confident	19 Å²	19	52.3 Å²	52.3	13%	0.133	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-38.6	178.3	177.5	0	0	0	0	112.9	Q765 K771 D790 T792	Q765-S767 VanDerWaalsContact C-N 3.33Å; Q765-S767 PolarHBondContact O-N 2.82Å; S767-K771 WeakPolarHBondContact O-CB 3.41Å; S767-K771 WeakPolarHBondContact O-CD 3.46Å; S767-K771 VanDerWaalsContact O-CG 3.3Å; S767-K771 WeakPolarHBondContact O-CG 3.27Å; S767-K771 PolarHBondContact O-N 2.77Å; S767-K771 PolarHBondContact OG-NZ 3.39Å; S767-D790 WeakPolarHBondContact CB-OD1 3.35Å; S767-D790 VanDerWaalsContact OG-CG 3.22Å; S767-D790 PolarHBondContact OG-OD1 2.95Å; S767-D790 PolarHBondContact OG-OD2 3.47Å; S767-T792 PolarHBondContact OG-OG1 3.07Å
768	R	87.6	Confident	85.1	Confident	98 Å²	98	53.7 Å²	53.7	37%	0.37	26%	0.261	S	S	.	.	H	α-helix	trans	-62	-47.6	174.9	175.9	-172.2	168.6	-153.6	-6.7	110.7	E743 Q765 V766 K771 L772	E743-R768 VanDerWaalsContact CD-NH2 3.27Å; E743-R768 IonicContact OE1-CZ 3.34Å; E743-R768 IonicContact OE1-NH1 2.71Å; E743-R768 PolarHBondContact OE1-NH1 3.14Å; E743-R768 IonicContact OE1-NH2 3.33Å; E743-R768 PolarHBondContact OE1-NH2 2.81Å; E743-R768 IonicContact OE2-CZ 2.7Å; E743-R768 IonicContact OE2-NH2 3.85Å; E743-R768 PolarHBondContact OE2-NH2 2.84Å; Q765-R768 WeakPolarHBondContact O-CB 3.5Å; Q765-R768 PolarHBondContact O-N 3.4Å; Q765-R768 VanDerWaalsContact OE1-CD 3.29Å; V766-R768 VanDerWaalsContact C-N 3.34Å; V766-R768 PolarHBondContact O-N 3.18Å; R768-K771 PolarHBondContact O-N 2.91Å; R768-L772 HydrophobicContact CG-CD1 4.38Å; R768-L772 WeakPolarHBondContact O-CG 3.5Å; R768-L772 PolarHBondContact O-N 3.32Å; R768-L772 VanDerWaalsContact O-N 3.13Å
769	V	86.9	Confident	85.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-69.6	-41.7	-177.7	-176	0	0	0	0	111.5	L742 I746 A754 A755 A758 Q765 V766 K771 L772 W773	L742-V769 HydrophobicContact CD1-CG2 4.07Å; L742-V769 HydrophobicContact CD2-CG2 4.1Å; L742-V769 HydrophobicContact CG-CG2 4.35Å; I746-V769 HydrophobicContact CD1-CG2 4.31Å; A754-V769 HydrophobicContact CB-CG1 3.63Å; A755-V769 HydrophobicContact CB-CG1 4.01Å; A758-V769 HydrophobicContact CB-CG2 4.35Å; Q765-V769 WeakPolarHBondContact O-CG2 3.23Å; Q765-V769 PolarHBondContact O-N 2.86Å; Q765-V769 VanDerWaalsContact O-N 3.07Å; V766-V769 PolarHBondContact O-N 2.83Å; V769-K771 VanDerWaalsContact C-N 3.31Å; V769-K771 PolarHBondContact O-N 2.71Å; V769-L772 PolarHBondContact O-N 2.92Å; V769-W773 WeakPolarHBondContact O-CB 3.48Å; V769-W773 PolarHBondContact O-N 2.81Å
770	V	86.8	Confident	85.2	Confident	11 Å²	11	60 Å²	60	7%	0.067	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-33.8	177.2	171.2	0	0	0	0	111.5	A755 V766 W773 R774 L788 D790	A755-V770 HydrophobicContact CB-CG2 4.48Å; V766-V770 HydrophobicContact CG1-CG2 3.91Å; V766-V770 WeakPolarHBondContact O-CB 3.37Å; V766-V770 VanDerWaalsContact O-CG2 3.28Å; V766-V770 WeakPolarHBondContact O-CG2 3.27Å; V766-V770 PolarHBondContact O-N 2.8Å; V770-W773 PolarHBondContact O-N 2.81Å; V770-R774 VanDerWaalsContact O-CB 3.23Å; V770-R774 WeakPolarHBondContact O-CB 3.35Å; V770-R774 PolarHBondContact O-N 2.91Å; V770-L788 HydrophobicContact CG1-CB 4.5Å; V770-D790 HydrophobicContact CG1-CB 4.41Å
771	K	87	Confident	85.3	Confident	77 Å²	77	58.4 Å²	58.4	34%	0.335	29%	0.291	S	S	.	.	H	α-helix	trans	-64.8	-50	171.1	-77.7	166.4	177	136.4	0	112.2	S767 R768 V769 W773 R774 E775 D790	S767-K771 WeakPolarHBondContact O-CB 3.41Å; S767-K771 WeakPolarHBondContact O-CD 3.46Å; S767-K771 VanDerWaalsContact O-CG 3.3Å; S767-K771 WeakPolarHBondContact O-CG 3.27Å; S767-K771 PolarHBondContact O-N 2.77Å; S767-K771 PolarHBondContact OG-NZ 3.39Å; R768-K771 PolarHBondContact O-N 2.91Å; V769-K771 VanDerWaalsContact C-N 3.31Å; V769-K771 PolarHBondContact O-N 2.71Å; K771-W773 VanDerWaalsContact C-N 3.28Å; K771-W773 PolarHBondContact O-N 3.33Å; K771-R774 PolarHBondContact O-N 2.9Å; K771-E775 WeakPolarHBondContact O-CB 3.44Å; K771-E775 WeakPolarHBondContact O-CG 3.48Å; K771-E775 PolarHBondContact O-N 2.82Å; K771-D790 WeakPolarHBondContact CE-OD2 3.39Å; K771-D790 IonicContact NZ-OD2 2.87Å; K771-D790 PolarHBondContact NZ-OD2 2.82Å
772	L	87.8	Confident	85.5	Confident	57 Å²	57	58.7 Å²	58.7	30%	0.298	30%	0.296	S	S	.	.	H	α-helix	trans	-59.2	-39.4	175.2	-67.7	170.5	0	0	0	111.9	I746 L751 R768 V769 E775 S776	I746-L772 HydrophobicContact CD1-CD1 4.46Å; I746-L772 HydrophobicContact CG2-CD1 4.21Å; L751-L772 HydrophobicContact CD2-CB 4.28Å; R768-L772 HydrophobicContact CG-CD1 4.38Å; R768-L772 WeakPolarHBondContact O-CG 3.5Å; R768-L772 PolarHBondContact O-N 3.32Å; R768-L772 VanDerWaalsContact O-N 3.13Å; V769-L772 PolarHBondContact O-N 2.92Å; L772-E775 PolarHBondContact O-N 2.7Å; L772-S776 VanDerWaalsContact O-CB 3.32Å; L772-S776 WeakPolarHBondContact O-CB 3.46Å; L772-S776 PolarHBondContact O-N 3.34Å
773	W	88.3	Confident	85.4	Confident	61 Å²	61	63.9 Å²	63.9	23%	0.231	32%	0.318	C	S	.	.	H	α-helix	trans	-66	-45.3	175.1	-173.1	15.6	0	0	0	111.9	L751 P752 A755 V769 V770 K771 E775 S776 L777 L788	L751-W773 HydrophobicContact CB-CB 3.96Å; L751-W773 HydrophobicContact CB-CG 4.12Å; P752-W773 HydrophobicContact CB-CH2 4.2Å; P752-W773 HydrophobicContact CB-CZ2 3.92Å; P752-W773 HydrophobicContact CG-CD2 4.5Å; P752-W773 HydrophobicContact CG-CZ2 3.89Å; A755-W773 HydrophobicContact CB-CE3 3.96Å; A755-W773 HydrophobicContact CB-CZ3 4.12Å; V769-W773 WeakPolarHBondContact O-CB 3.48Å; V769-W773 PolarHBondContact O-N 2.81Å; V770-W773 PolarHBondContact O-N 2.81Å; K771-W773 VanDerWaalsContact C-N 3.28Å; K771-W773 PolarHBondContact O-N 3.33Å; W773-E775 VanDerWaalsContact C-N 3.35Å; W773-E775 PolarHBondContact O-N 2.9Å; W773-S776 PolarHBondContact O-N 2.89Å; W773-L777 WeakPolarHBondContact O-CB 3.25Å; W773-L777 PolarHBondContact O-N 2.94Å; W773-L788 HydrophobicContact CB-CD1 4.4Å; W773-L788 HydrophobicContact CD2-CD1 3.54Å; W773-L788 HydrophobicContact CD2-CD2 4.32Å; W773-L788 HydrophobicContact CE3-CD1 3.9Å; W773-L788 HydrophobicContact CE3-CD2 4.04Å; W773-L788 HydrophobicContact CG-CD1 3.79Å; W773-L788 HydrophobicContact CH2-CD2 3.64Å; W773-L788 HydrophobicContact CZ2-CD1 4.26Å; W773-L788 HydrophobicContact CZ2-CD2 3.93Å; W773-L788 HydrophobicContact CZ3-CD1 4.4Å; W773-L788 HydrophobicContact CZ3-CD2 3.7Å
774	R	85.9	Confident	85.4	Confident	60 Å²	60	64.5 Å²	64.5	23%	0.226	33%	0.325	C	S	.	.	H	α-helix	trans	-59	-44.3	174.7	-175	-171.8	-74.3	172.5	-4.8	111.1	V770 K771 A778 A785 L788 E793	V770-R774 VanDerWaalsContact O-CB 3.23Å; V770-R774 WeakPolarHBondContact O-CB 3.35Å; V770-R774 PolarHBondContact O-N 2.91Å; K771-R774 PolarHBondContact O-N 2.9Å; R774-A778 WeakPolarHBondContact O-CB 3.43Å; R774-A778 PolarHBondContact O-N 2.92Å; R774-A785 HydrophobicContact CG-CB 4.14Å; R774-A785 WeakPolarHBondContact O-CB 3.44Å; R774-L788 PolarHBondContact NE-O 2.71Å; R774-L788 PolarHBondContact NH2-O 2.66Å; R774-E793 IonicContact CZ-OE1 2.89Å; R774-E793 IonicContact CZ-OE2 2.67Å; R774-E793 VanDerWaalsContact NH1-CD 3.34Å; R774-E793 IonicContact NH1-OE1 3.68Å; R774-E793 PolarHBondContact NH1-OE1 3.25Å; R774-E793 IonicContact NH1-OE2 3.44Å; R774-E793 PolarHBondContact NH1-OE2 3.13Å; R774-E793 IonicContact NH2-OE1 3.94Å; R774-E793 IonicContact NH2-OE2 2.88Å; R774-E793 PolarHBondContact NH2-OE2 2.61Å
775	E	87.4	Confident	85.1	Confident	123 Å²	123	62.1 Å²	62.1	58%	0.575	31%	0.309	S	S	*	.	H	α-helix	trans	-66.5	-40.1	177.2	-73.5	171.5	-162.7	0	0	113.3	K771 L772 W773	K771-E775 WeakPolarHBondContact O-CB 3.44Å; K771-E775 WeakPolarHBondContact O-CG 3.48Å; K771-E775 PolarHBondContact O-N 2.82Å; L772-E775 PolarHBondContact O-N 2.7Å; W773-E775 VanDerWaalsContact C-N 3.35Å; W773-E775 PolarHBondContact O-N 2.9Å
776	S	85.6	Confident	84.9	Confident	30 Å²	30	66.6 Å²	66.6	21%	0.21	33%	0.33	C	S	.	.	H	α-helix	trans	-69.8	-47.6	176.7	-164.4	0	0	0	0	111.1	L772 W773 A778 K779	L772-S776 VanDerWaalsContact O-CB 3.32Å; L772-S776 WeakPolarHBondContact O-CB 3.46Å; L772-S776 PolarHBondContact O-N 3.34Å; W773-S776 PolarHBondContact O-N 2.89Å; S776-A778 VanDerWaalsContact C-N 3.34Å; S776-A778 PolarHBondContact O-N 2.89Å; S776-K779 WeakPolarHBondContact O-CB 3.27Å; S776-K779 PolarHBondContact O-N 2.93Å
777	L	85.8	Confident	84.7	Confident	44 Å²	44	70.4 Å²	70.4	23%	0.23	36%	0.357	C	S	.	.	H	α-helix	trans	-67.1	-32	-179.9	-171.8	59.6	0	0	0	112.4	W773 K779 V780 N781 A784 A785 L788	W773-L777 WeakPolarHBondContact O-CB 3.25Å; W773-L777 PolarHBondContact O-N 2.94Å; L777-K779 PolarHBondContact O-N 3.03Å; L777-V780 PolarHBondContact O-N 2.88Å; L777-N781 CarbonylContact O-C 3.58Å; L777-N781 PolarHBondContact O-N 2.84Å; L777-A784 HydrophobicContact CD1-CB 4.38Å; L777-A784 HydrophobicContact CD2-CB 3.82Å; L777-A784 HydrophobicContact CG-CB 4.11Å; L777-A785 HydrophobicContact CB-CB 4.25Å; L777-A785 HydrophobicContact CG-CB 4.35Å; L777-L788 HydrophobicContact CD2-CD1 3.72Å; L777-L788 HydrophobicContact CD2-CG 4.32Å
778	A	86.9	Confident	84.6	Confident	48 Å²	48	70.8 Å²	70.8	40%	0.397	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.6	176.8	0	0	0	0	0	113.5	R774 S776 V780 A785	R774-A778 WeakPolarHBondContact O-CB 3.43Å; R774-A778 PolarHBondContact O-N 2.92Å; S776-A778 VanDerWaalsContact C-N 3.34Å; S776-A778 PolarHBondContact O-N 2.89Å; A778-V780 VanDerWaalsContact C-N 3.3Å; A778-A785 HydrophobicContact CB-CB 3.78Å
779	K	86.1	Confident	84.1	Confident	176 Å²	176	67.5 Å²	67.5	77%	0.765	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-23.3	173	-58.9	170.4	-173.6	174.3	0	112.8	S776 L777	S776-K779 WeakPolarHBondContact O-CB 3.27Å; S776-K779 PolarHBondContact O-N 2.93Å; L777-K779 PolarHBondContact O-N 3.03Å
780	V	83.9	Confident	83.7	Confident	124 Å²	124	67.5 Å²	67.5	75%	0.752	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-49.2	-174.8	-176.1	0	0	0	0	111.2	L777 A778	L777-V780 PolarHBondContact O-N 2.88Å; A778-V780 VanDerWaalsContact C-N 3.3Å
781	N	85.7	Confident	83	Confident	57 Å²	57	67.2 Å²	67.2	31%	0.305	35%	0.349	S	S	.	.			trans	-147.4	105.5	177.6	-176.9	-15.8	0	0	0	111	L777 K783 A784 A785	L777-N781 CarbonylContact O-C 3.58Å; L777-N781 PolarHBondContact O-N 2.84Å; N781-K783 PolarHBondContact O-N 3.1Å; N781-K783 WeakPolarHBondContact OD1-CB 3.38Å; N781-K783 PolarHBondContact OD1-N 2.84Å; N781-A784 HydrophobicContact CB-CB 3.95Å; N781-A784 PolarHBondContact O-N 3.15Å; N781-A784 PolarHBondContact OD1-N 3.12Å; N781-A785 PolarHBondContact O-N 2.88Å; N781-A785 VanDerWaalsContact O-N 3.11Å
782	Q	83.4	Confident	82.2	Confident	116 Å²	116	68 Å²	68	54%	0.542	36%	0.361	S	S	.	.	H	α-helix	trans	-62.5	-37.3	-180	-175.8	170.3	-1.7	0	0	113.4	A784 A785 E786	Q782-A784 VanDerWaalsContact C-N 3.32Å; Q782-A784 PolarHBondContact O-N 2.73Å; Q782-A785 PolarHBondContact O-N 3.06Å; Q782-E786 HydrophobicContact CG-CG 4.49Å; Q782-E786 WeakPolarHBondContact CG-OE1 3.47Å; Q782-E786 PolarHBondContact NE2-OE1 2.92Å; Q782-E786 WeakPolarHBondContact O-CG 3.43Å; Q782-E786 PolarHBondContact O-N 3.28Å
783	K	82.6	Confident	81.5	Confident	117 Å²	117	69.7 Å²	69.7	51%	0.509	37%	0.367	S	S	.	.	H	α-helix	trans	-62.4	-41.4	176.2	-62.1	-177	-171.9	172.3	0	111.2	N781 E786 S787 E881	N781-K783 PolarHBondContact O-N 3.1Å; N781-K783 WeakPolarHBondContact OD1-CB 3.38Å; N781-K783 PolarHBondContact OD1-N 2.84Å; K783-E786 PolarHBondContact O-N 3.12Å; K783-S787 PolarHBondContact O-N 3.34Å; K783-S787 VanDerWaalsContact O-N 3.16Å; K783-E881 IonicContact NZ-OE1 2.69Å; K783-E881 PolarHBondContact NZ-OE1 2.66Å; K783-E881 IonicContact NZ-OE2 2.75Å
784	A	79.3	Confident	80.9	Confident	29 Å²	29	72.9 Å²	72.9	24%	0.24	38%	0.38	C	S	.	.	H	α-helix	trans	-67.3	-41.4	-179.4	0	0	0	0	0	111	L777 N781 Q782 E786 S787	L777-A784 HydrophobicContact CD1-CB 4.38Å; L777-A784 HydrophobicContact CD2-CB 3.82Å; L777-A784 HydrophobicContact CG-CB 4.11Å; N781-A784 HydrophobicContact CB-CB 3.95Å; N781-A784 PolarHBondContact O-N 3.15Å; N781-A784 PolarHBondContact OD1-N 3.12Å; Q782-A784 VanDerWaalsContact C-N 3.32Å; Q782-A784 PolarHBondContact O-N 2.73Å; A784-E786 PolarHBondContact O-N 2.92Å; A784-S787 PolarHBondContact O-N 3.37Å; A784-S787 VanDerWaalsContact O-N 3.16Å; A784-S787 PolarHBondContact O-OG 3.08Å
785	A	78.5	Confident	79.9	Confident	4 Å²	4	73.9 Å²	73.9	3%	0.033	39%	0.387	C	S	.	.	H	α-helix	trans	-60.8	-42.2	172.5	0	0	0	0	0	112.9	R774 L777 A778 N781 Q782 S787 L788	R774-A785 HydrophobicContact CG-CB 4.14Å; R774-A785 WeakPolarHBondContact O-CB 3.44Å; L777-A785 HydrophobicContact CB-CB 4.25Å; L777-A785 HydrophobicContact CG-CB 4.35Å; A778-A785 HydrophobicContact CB-CB 3.78Å; N781-A785 PolarHBondContact O-N 2.88Å; N781-A785 VanDerWaalsContact O-N 3.11Å; Q782-A785 PolarHBondContact O-N 3.06Å; A785-S787 PolarHBondContact O-N 2.82Å; A785-L788 PolarHBondContact O-N 3.28Å
786	E	79.4	Confident	79.2	Confident	136 Å²	136	75.8 Å²	75.8	64%	0.636	40%	0.401	S	S	*	.	H	α-helix	trans	-65.1	-21.1	176.2	-73.2	170.1	-170.7	0	0	112.9	Q782 K783 A784	Q782-E786 HydrophobicContact CG-CG 4.49Å; Q782-E786 WeakPolarHBondContact CG-OE1 3.47Å; Q782-E786 PolarHBondContact NE2-OE1 2.92Å; Q782-E786 WeakPolarHBondContact O-CG 3.43Å; Q782-E786 PolarHBondContact O-N 3.28Å; K783-E786 PolarHBondContact O-N 3.12Å; A784-E786 PolarHBondContact O-N 2.92Å
787	S	80.9	Confident	78.6	Confident	92 Å²	92	79.8 Å²	79.8	64%	0.643	42%	0.42	S	S	*	.	H	α-helix	trans	-80.4	-15.1	174.9	79.4	0	0	0	0	114.7	K783 A784 A785 A789	K783-S787 PolarHBondContact O-N 3.34Å; K783-S787 VanDerWaalsContact O-N 3.16Å; A784-S787 PolarHBondContact O-N 3.37Å; A784-S787 VanDerWaalsContact O-N 3.16Å; A784-S787 PolarHBondContact O-OG 3.08Å; A785-S787 PolarHBondContact O-N 2.82Å; S787-A789 PolarHBondContact O-N 3.2Å
788	L	80.5	Confident	78.1	Confident	27 Å²	27	80 Å²	80	14%	0.141	42%	0.419	C	S	.	.			trans	-80	95.9	179.2	-65.7	178.3	0	0	0	111.1	V770 W773 R774 L777 A785	V770-L788 HydrophobicContact CG1-CB 4.5Å; W773-L788 HydrophobicContact CB-CD1 4.4Å; W773-L788 HydrophobicContact CD2-CD1 3.54Å; W773-L788 HydrophobicContact CD2-CD2 4.32Å; W773-L788 HydrophobicContact CE3-CD1 3.9Å; W773-L788 HydrophobicContact CE3-CD2 4.04Å; W773-L788 HydrophobicContact CG-CD1 3.79Å; W773-L788 HydrophobicContact CH2-CD2 3.64Å; W773-L788 HydrophobicContact CZ2-CD1 4.26Å; W773-L788 HydrophobicContact CZ2-CD2 3.93Å; W773-L788 HydrophobicContact CZ3-CD1 4.4Å; W773-L788 HydrophobicContact CZ3-CD2 3.7Å; R774-L788 PolarHBondContact NE-O 2.71Å; R774-L788 PolarHBondContact NH2-O 2.66Å; L777-L788 HydrophobicContact CD2-CD1 3.72Å; L777-L788 HydrophobicContact CD2-CG 4.32Å; A785-L788 PolarHBondContact O-N 3.28Å
789	A	77.5	Confident	77.4	Confident	28 Å²	28	83.5 Å²	83.5	23%	0.231	44%	0.438	C	S	.	.			trans	-69	126.2	175.5	0	0	0	0	0	112.2	S787 Y794 L797 F798	S787-A789 PolarHBondContact O-N 3.2Å; A789-Y794 HydrophobicContact CB-CD2 3.97Å; A789-Y794 HydrophobicContact CB-CG 4.42Å; A789-L797 HydrophobicContact CB-CD1 3.89Å; A789-F798 HydrophobicContact CB-CE2 4.2Å
790	D	77.4	Confident	76.7	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	42%	0.419	C	S	.	.			trans	-80.2	130.9	170.6	-174.5	-43.1	0	0	0	109.5	S767 V770 K771 T792 E793 Y794	S767-D790 WeakPolarHBondContact CB-OD1 3.35Å; S767-D790 VanDerWaalsContact OG-CG 3.22Å; S767-D790 PolarHBondContact OG-OD1 2.95Å; S767-D790 PolarHBondContact OG-OD2 3.47Å; V770-D790 HydrophobicContact CG1-CB 4.41Å; K771-D790 WeakPolarHBondContact CE-OD2 3.39Å; K771-D790 IonicContact NZ-OD2 2.87Å; K771-D790 PolarHBondContact NZ-OD2 2.82Å; D790-T792 VanDerWaalsContact CG-OG1 3.23Å; D790-T792 PolarHBondContact O-N 3.21Å; D790-T792 VanDerWaalsContact O-N 3.12Å; D790-T792 WeakPolarHBondContact OD1-CB 3.36Å; D790-T792 PolarHBondContact OD1-N 3.05Å; D790-T792 PolarHBondContact OD1-OG1 3.21Å; D790-T792 PolarHBondContact OD2-OG1 2.65Å; D790-E793 HydrophobicContact CB-CB 4.15Å; D790-E793 HydrophobicContact CB-CG 3.9Å; D790-E793 PolarHBondContact O-N 2.86Å; D790-Y794 PolarHBondContact O-N 2.93Å
791	P	73.3	Confident	76.2	Confident	6 Å²	6	72.3 Å²	72.3	4%	0.039	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-23.9	176.4	-23.8	32.7	0	0	0	115.4	V766 E795 F798 L801	V766-P791 HydrophobicContact CB-CG 4.45Å; V766-P791 HydrophobicContact CG1-CG 3.74Å; P791-E795 WeakPolarHBondContact O-CA 3.07Å; P791-E795 PolarHBondContact O-N 3.18Å; P791-F798 HydrophobicContact CB-CB 4.48Å; P791-F798 HydrophobicContact CB-CD1 4.43Å; P791-F798 HydrophobicContact CB-CD2 3.87Å; P791-F798 HydrophobicContact CB-CE2 4.16Å; P791-F798 HydrophobicContact CB-CG 4.01Å; P791-F798 HydrophobicContact CG-CD1 4.12Å; P791-F798 HydrophobicContact CG-CD2 4.08Å; P791-F798 HydrophobicContact CG-CE1 3.98Å; P791-F798 HydrophobicContact CG-CE2 3.93Å; P791-F798 HydrophobicContact CG-CG 4.16Å; P791-F798 HydrophobicContact CG-CZ 3.88Å; P791-L801 HydrophobicContact CB-CD1 4.48Å; P791-L801 HydrophobicContact CB-CD2 3.66Å
792	T	71	Confident	75.5	Confident	94 Å²	94	77.7 Å²	77.7	58%	0.577	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-23.1	176.1	60.2	0	0	0	0	113.6	S767 D790	S767-T792 PolarHBondContact OG-OG1 3.07Å; D790-T792 VanDerWaalsContact CG-OG1 3.23Å; D790-T792 PolarHBondContact O-N 3.21Å; D790-T792 VanDerWaalsContact O-N 3.12Å; D790-T792 WeakPolarHBondContact OD1-CB 3.36Å; D790-T792 PolarHBondContact OD1-N 3.05Å; D790-T792 PolarHBondContact OD1-OG1 3.21Å; D790-T792 PolarHBondContact OD2-OG1 2.65Å
793	E	72.9	Confident	75	Confident	91 Å²	91	78 Å²	78	43%	0.425	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-34.4	175.4	-65.5	171.7	171	0	0	111.4	R774 D790	R774-E793 IonicContact CZ-OE1 2.89Å; R774-E793 IonicContact CZ-OE2 2.67Å; R774-E793 VanDerWaalsContact NH1-CD 3.34Å; R774-E793 IonicContact NH1-OE1 3.68Å; R774-E793 PolarHBondContact NH1-OE1 3.25Å; R774-E793 IonicContact NH1-OE2 3.44Å; R774-E793 PolarHBondContact NH1-OE2 3.13Å; R774-E793 IonicContact NH2-OE1 3.94Å; R774-E793 IonicContact NH2-OE2 2.88Å; R774-E793 PolarHBondContact NH2-OE2 2.61Å; D790-E793 HydrophobicContact CB-CB 4.15Å; D790-E793 HydrophobicContact CB-CG 3.9Å; D790-E793 PolarHBondContact O-N 2.86Å
794	Y	73.9	Confident	74.7	Confident	128 Å²	128	74 Å²	74	50%	0.502	40%	0.397	S	S	.	.			trans	-131	55.1	-171.1	-59.6	-81.8	0	0	0	112.8	A789 D790 N796 L797	A789-Y794 HydrophobicContact CB-CD2 3.97Å; A789-Y794 HydrophobicContact CB-CG 4.42Å; D790-Y794 PolarHBondContact O-N 2.93Å; Y794-N796 PolarHBondContact O-N 3.46Å; Y794-L797 HydrophobicContact CG-CD1 4.28Å; Y794-L797 WeakPolarHBondContact O-CB 3.47Å; Y794-L797 PolarHBondContact O-N 3.14Å
795	E	66	Low	74.6	Confident	82 Å²	82	75.1 Å²	75.1	38%	0.383	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-49.6	-34.6	-178.3	-171.8	174.9	-140.9	0	0	113.6	P791 L797 F798 R802	P791-E795 WeakPolarHBondContact O-CA 3.07Å; P791-E795 PolarHBondContact O-N 3.18Å; E795-L797 PolarHBondContact O-N 2.95Å; E795-L797 VanDerWaalsContact O-N 3.13Å; E795-F798 PolarHBondContact O-N 2.92Å; E795-R802 IonicContact OE1-CZ 3.72Å; E795-R802 VanDerWaalsContact OE1-CZ 3.23Å; E795-R802 IonicContact OE1-NE 3.94Å; E795-R802 PolarHBondContact OE1-NE 2.87Å; E795-R802 IonicContact OE1-NH2 2.73Å; E795-R802 PolarHBondContact OE1-NH2 3.04Å; E795-R802 IonicContact OE2-CZ 2.69Å; E795-R802 IonicContact OE2-NE 3.97Å; E795-R802 IonicContact OE2-NH2 2.62Å; E795-R802 PolarHBondContact OE2-NH2 3.35Å
796	N	73.1	Confident	74.4	Confident	162 Å²	162	76.6 Å²	76.6	87%	0.866	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-60.1	-20.2	176.2	-66.4	-30.7	0	0	0	114.8	Y794	Y794-N796 PolarHBondContact O-N 3.46Å
797	L	72.5	Confident	74.2	Confident	114 Å²	114	70.7 Å²	70.7	60%	0.597	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-88.9	-9.6	176.9	-62.1	179.1	0	0	0	113	A789 Y794 E795 P799	A789-L797 HydrophobicContact CB-CD1 3.89Å; Y794-L797 HydrophobicContact CG-CD1 4.28Å; Y794-L797 WeakPolarHBondContact O-CB 3.47Å; Y794-L797 PolarHBondContact O-N 3.14Å; E795-L797 PolarHBondContact O-N 2.95Å; E795-L797 VanDerWaalsContact O-N 3.13Å; L797-P799 VanDerWaalsContact C-CD 3.45Å; L797-P799 WeakPolarHBondContact O-CD 3.41Å
798	F	74.8	Confident	74.1	Confident	49 Å²	49	67.4 Å²	67.4	22%	0.215	36%	0.358	C	S	.	.	S	Bend	trans	-124	67.4	-175.3	-64.3	-88.3	0	0	0	111.3	A789 P791 E795 L801	A789-F798 HydrophobicContact CB-CE2 4.2Å; P791-F798 HydrophobicContact CB-CB 4.48Å; P791-F798 HydrophobicContact CB-CD1 4.43Å; P791-F798 HydrophobicContact CB-CD2 3.87Å; P791-F798 HydrophobicContact CB-CE2 4.16Å; P791-F798 HydrophobicContact CB-CG 4.01Å; P791-F798 HydrophobicContact CG-CD1 4.12Å; P791-F798 HydrophobicContact CG-CD2 4.08Å; P791-F798 HydrophobicContact CG-CE1 3.98Å; P791-F798 HydrophobicContact CG-CE2 3.93Å; P791-F798 HydrophobicContact CG-CG 4.16Å; P791-F798 HydrophobicContact CG-CZ 3.88Å; E795-F798 PolarHBondContact O-N 2.92Å; F798-L801 HydrophobicContact CB-CB 4.36Å; F798-L801 HydrophobicContact CB-CD2 4.46Å; F798-L801 WeakPolarHBondContact O-CB 3.25Å; F798-L801 PolarHBondContact O-N 3.21Å
799	P	72.1	Confident	73.8	Confident	122 Å²	122	69.4 Å²	69.4	79%	0.792	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	142.7	176.7	26.7	-35.1	0	0	0	111.4	L797 L801	L797-P799 VanDerWaalsContact C-CD 3.45Å; L797-P799 WeakPolarHBondContact O-CD 3.41Å; P799-L801 VanDerWaalsContact C-N 3.33Å; P799-L801 PolarHBondContact O-N 2.81Å
800	G	72.6	Confident	73.8	Confident	37 Å²	37	70.2 Å²	70.2	38%	0.381	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-5.5	-177.8	0	0	0	0	0	115.5	R802 E803 A804	G800-R802 VanDerWaalsContact C-N 3.31Å; G800-R802 PolarHBondContact O-N 2.96Å; G800-E803 WeakPolarHBondContact O-CB 3.47Å; G800-E803 PolarHBondContact O-N 2.91Å; G800-A804 PolarHBondContact O-N 2.9Å
801	L	72.8	Confident	73.6	Confident	27 Å²	27	72.6 Å²	72.6	14%	0.141	38%	0.376	C	S	.	.	H	α-helix	trans	-55.8	-39.2	-175.2	-174.5	69.9	0	0	0	114.1	P791 F798 P799 A804 F805	P791-L801 HydrophobicContact CB-CD1 4.48Å; P791-L801 HydrophobicContact CB-CD2 3.66Å; F798-L801 HydrophobicContact CB-CB 4.36Å; F798-L801 HydrophobicContact CB-CD2 4.46Å; F798-L801 WeakPolarHBondContact O-CB 3.25Å; F798-L801 PolarHBondContact O-N 3.21Å; P799-L801 VanDerWaalsContact C-N 3.33Å; P799-L801 PolarHBondContact O-N 2.81Å; L801-A804 WeakPolarHBondContact O-CB 3.36Å; L801-A804 PolarHBondContact O-N 3.4Å; L801-F805 HydrophobicContact CD1-CE1 4.2Å; L801-F805 HydrophobicContact CD1-CE2 4.42Å; L801-F805 HydrophobicContact CD1-CZ 3.91Å; L801-F805 HydrophobicContact CD2-CE2 4.03Å; L801-F805 HydrophobicContact CD2-CZ 3.93Å; L801-F805 HydrophobicContact CG-CD2 4.44Å; L801-F805 HydrophobicContact CG-CE1 4.38Å; L801-F805 HydrophobicContact CG-CE2 3.72Å; L801-F805 HydrophobicContact CG-CZ 3.68Å; L801-F805 WeakPolarHBondContact O-CD2 3.46Å; L801-F805 WeakPolarHBondContact O-CG 3.37Å; L801-F805 PolarHBondContact O-N 2.89Å
802	R	71.4	Confident	73.6	Confident	170 Å²	170	77.1 Å²	77.1	64%	0.642	39%	0.392	S	S	*	.	H	α-helix	trans	-68	-34.3	177.8	-62.8	-174.4	-173.3	177.4	4.5	113.1	E795 G800 A806	E795-R802 IonicContact OE1-CZ 3.72Å; E795-R802 VanDerWaalsContact OE1-CZ 3.23Å; E795-R802 IonicContact OE1-NE 3.94Å; E795-R802 PolarHBondContact OE1-NE 2.87Å; E795-R802 IonicContact OE1-NH2 2.73Å; E795-R802 PolarHBondContact OE1-NH2 3.04Å; E795-R802 IonicContact OE2-CZ 2.69Å; E795-R802 IonicContact OE2-NE 3.97Å; E795-R802 IonicContact OE2-NH2 2.62Å; E795-R802 PolarHBondContact OE2-NH2 3.35Å; G800-R802 VanDerWaalsContact C-N 3.31Å; G800-R802 PolarHBondContact O-N 2.96Å; R802-A806 PolarHBondContact O-N 2.84Å
803	E	73.2	Confident	73.5	Confident	123 Å²	123	77.4 Å²	77.4	58%	0.575	39%	0.387	S	S	*	.	H	α-helix	trans	-72.1	-38	176.1	-64.3	163.4	-167.9	0	0	109.8	G800 A806 A807 L837	G800-E803 WeakPolarHBondContact O-CB 3.47Å; G800-E803 PolarHBondContact O-N 2.91Å; E803-A806 PolarHBondContact O-N 2.93Å; E803-A807 WeakPolarHBondContact O-CB 3.26Å; E803-A807 PolarHBondContact O-N 2.91Å; E803-L837 HydrophobicContact CB-CD2 4.08Å
804	A	75.3	Confident	73.2	Confident	33 Å²	33	75.7 Å²	75.7	27%	0.273	38%	0.383	S	S	.	.	H	α-helix	trans	-62.6	-39.3	172.5	0	0	0	0	0	112.9	P763 G800 L801 A807 E808	P763-A804 HydrophobicContact CB-CB 4.32Å; P763-A804 HydrophobicContact CG-CB 3.99Å; G800-A804 PolarHBondContact O-N 2.9Å; L801-A804 WeakPolarHBondContact O-CB 3.36Å; L801-A804 PolarHBondContact O-N 3.4Å; A804-A807 PolarHBondContact O-N 3.44Å; A804-E808 WeakPolarHBondContact O-CB 3.33Å; A804-E808 PolarHBondContact O-N 3.28Å
805	F	76.9	Confident	72.6	Confident	52 Å²	52	72.4 Å²	72.4	23%	0.228	38%	0.378	C	S	.	.	H	α-helix	trans	-64.2	-38.5	172.7	-64.5	-42.1	0	0	0	112.7	P763 L801 E808 H809	P763-F805 HydrophobicContact CB-CD1 3.85Å; P763-F805 HydrophobicContact CB-CE1 3.93Å; L801-F805 HydrophobicContact CD1-CE1 4.2Å; L801-F805 HydrophobicContact CD1-CE2 4.42Å; L801-F805 HydrophobicContact CD1-CZ 3.91Å; L801-F805 HydrophobicContact CD2-CE2 4.03Å; L801-F805 HydrophobicContact CD2-CZ 3.93Å; L801-F805 HydrophobicContact CG-CD2 4.44Å; L801-F805 HydrophobicContact CG-CE1 4.38Å; L801-F805 HydrophobicContact CG-CE2 3.72Å; L801-F805 HydrophobicContact CG-CZ 3.68Å; L801-F805 WeakPolarHBondContact O-CD2 3.46Å; L801-F805 WeakPolarHBondContact O-CG 3.37Å; L801-F805 PolarHBondContact O-N 2.89Å; F805-E808 PolarHBondContact O-N 2.83Å; F805-H809 PolarHBondContact O-N 3.31Å
806	A	74.6	Confident	72	Confident	36 Å²	36	73.8 Å²	73.8	30%	0.298	39%	0.387	S	S	.	.	H	α-helix	trans	-66.7	-42.4	176.4	0	0	0	0	0	111.5	R802 E803 H809 Y810	R802-A806 PolarHBondContact O-N 2.84Å; E803-A806 PolarHBondContact O-N 2.93Å; A806-H809 PolarHBondContact O-N 3.46Å; A806-Y810 WeakPolarHBondContact O-CB 3.22Å; A806-Y810 PolarHBondContact O-N 2.9Å
807	A	75.4	Confident	71	Confident	12 Å²	12	70 Å²	70	10%	0.099	39%	0.386	C	S	.	.	H	α-helix	trans	-62.5	-42.2	172.9	0	0	0	0	0	112.4	E803 A804 Y810 L811 I836 L837	E803-A807 WeakPolarHBondContact O-CB 3.26Å; E803-A807 PolarHBondContact O-N 2.91Å; A804-A807 PolarHBondContact O-N 3.44Å; A807-Y810 PolarHBondContact O-N 3.29Å; A807-L811 WeakPolarHBondContact O-CB 3.37Å; A807-L811 WeakPolarHBondContact O-CG 3.44Å; A807-L811 PolarHBondContact O-N 3.25Å; A807-I836 HydrophobicContact CB-CG2 3.92Å; A807-L837 HydrophobicContact CB-CD2 4.24Å
808	E	78.2	Confident	70.2	Confident	22 Å²	22	67.6 Å²	67.6	10%	0.103	38%	0.379	C	S	.	.	H	α-helix	trans	-59.6	-49.1	174.4	-173	-170.2	159.3	0	0	110.7	P763 S764 A804 F805 Y810 L811 R812	P763-E808 VanDerWaalsContact CD-OE2 3.26Å; P763-E808 WeakPolarHBondContact CD-OE2 3.29Å; S764-E808 VanDerWaalsContact CB-OE1 3.3Å; S764-E808 WeakPolarHBondContact CB-OE1 3.41Å; S764-E808 VanDerWaalsContact CB-OE2 3.31Å; S764-E808 WeakPolarHBondContact CB-OE2 3.23Å; S764-E808 PolarHBondContact N-OE2 3.05Å; S764-E808 PolarHBondContact OG-OE1 2.85Å; S764-E808 PolarHBondContact OG-OE2 3.18Å; A804-E808 WeakPolarHBondContact O-CB 3.33Å; A804-E808 PolarHBondContact O-N 3.28Å; F805-E808 PolarHBondContact O-N 2.83Å; E808-Y810 VanDerWaalsContact C-N 3.29Å; E808-Y810 PolarHBondContact O-N 3.01Å; E808-L811 PolarHBondContact O-N 2.76Å; E808-R812 VanDerWaalsContact O-CB 3.27Å; E808-R812 WeakPolarHBondContact O-CB 3.49Å; E808-R812 PolarHBondContact O-N 2.94Å
809	H	75.4	Confident	69.5	Low	69 Å²	69	70.2 Å²	70.2	32%	0.319	40%	0.403	S	S	.	.	H	α-helix	trans	-65.8	-31.8	178.7	-158.2	-78.6	0	0	0	112.3	F805 A806 R812 E813 Y843 P845	F805-H809 PolarHBondContact O-N 3.31Å; A806-H809 PolarHBondContact O-N 3.46Å; H809-R812 PolarHBondContact O-N 3.44Å; H809-E813 IonicContact CE1-OE1 3.23Å; H809-E813 PolarHBondContact CE1-OE1 2.85Å; H809-E813 IonicContact ND1-OE1 2.95Å; H809-E813 PolarHBondContact O-N 2.82Å; H809-E813 VanDerWaalsContact O-N 3.16Å; H809-Y843 HydrophobicContact CB-CE1 4.09Å; H809-Y843 AromaticContact ND1-CE1 3.72Å; H809-Y843 AromaticContact ND1-CZ 3.64Å; H809-Y843 PolarHBondContact ND1-OH 3.37Å; H809-Y843 PolarHBondContact O-OH 2.82Å; H809-P845 HydrophobicContact CB-CB 4.49Å
810	Y	76.4	Confident	69.2	Low	46 Å²	46	71.6 Å²	71.6	18%	0.18	39%	0.392	C	S	.	.	H	α-helix	trans	-67.4	-48.9	174.2	176.5	-99.9	0	0	0	111.5	A806 A807 E808 R812 E813 T814 E839 A840 Y843	A806-Y810 WeakPolarHBondContact O-CB 3.22Å; A806-Y810 PolarHBondContact O-N 2.9Å; A807-Y810 PolarHBondContact O-N 3.29Å; E808-Y810 VanDerWaalsContact C-N 3.29Å; E808-Y810 PolarHBondContact O-N 3.01Å; Y810-R812 VanDerWaalsContact C-N 3.27Å; Y810-R812 PolarHBondContact O-N 3.31Å; Y810-E813 PolarHBondContact O-N 2.85Å; Y810-T814 HydrophobicContact CD2-CG2 4.17Å; Y810-T814 HydrophobicContact CE1-CG2 4.34Å; Y810-T814 HydrophobicContact CE2-CG2 3.86Å; Y810-T814 WeakPolarHBondContact O-CB 3.37Å; Y810-T814 WeakPolarHBondContact O-CG2 3.41Å; Y810-T814 PolarHBondContact O-N 3.22Å; Y810-T814 PolarHBondContact O-OG1 3.2Å; Y810-E839 HydrophobicContact CE1-CB 3.73Å; Y810-E839 PolarHBondContact OH-O 3.13Å; Y810-A840 HydrophobicContact CD1-CB 4.26Å; Y810-A840 HydrophobicContact CD2-CB 4.39Å; Y810-A840 HydrophobicContact CG-CB 4Å; Y810-Y843 HydrophobicContact CD2-CD1 4.1Å; Y810-Y843 HydrophobicContact CD2-CD2 4.01Å; Y810-Y843 HydrophobicContact CD2-CE1 4.44Å; Y810-Y843 HydrophobicContact CD2-CE2 4.37Å; Y810-Y843 AromaticContact CD2-CG 3.84Å; Y810-Y843 HydrophobicContact CD2-CG 3.84Å; Y810-Y843 HydrophobicContact CG-CD1 4.46Å; Y810-Y843 VanDerWaalsContact N-CE1 3.32Å
811	L	74.3	Confident	69.1	Low	50 Å²	50	73.2 Å²	73.2	26%	0.262	40%	0.396	S	S	.	.	H	α-helix	trans	-62	-35.5	173.5	-68.5	174	0	0	0	111.9	A807 E808 T814 C815 I836	A807-L811 WeakPolarHBondContact O-CB 3.37Å; A807-L811 WeakPolarHBondContact O-CG 3.44Å; A807-L811 PolarHBondContact O-N 3.25Å; E808-L811 PolarHBondContact O-N 2.76Å; L811-T814 PolarHBondContact O-N 3.38Å; L811-C815 WeakPolarHBondContact O-CA 3.14Å; L811-C815 VanDerWaalsContact O-CB 3.27Å; L811-C815 WeakPolarHBondContact O-CB 3.48Å; L811-C815 PolarHBondContact O-N 3.37Å; L811-I836 HydrophobicContact CD1-CD1 4.28Å; L811-I836 HydrophobicContact CD1-CG2 4.1Å; L811-I836 HydrophobicContact CD2-CG2 4.17Å; L811-I836 HydrophobicContact CG-CG2 4.04Å
812	R	71.9	Confident	68.8	Low	100 Å²	100	76 Å²	76	38%	0.377	42%	0.423	S	S	.	.	H	α-helix	trans	-65.4	-41.5	179.3	-157.9	162.1	-168.4	123.4	12.9	112.2	D739 E808 H809 Y810 I816	D739-R812 IonicContact OD1-NH1 2.87Å; D739-R812 IonicContact OD1-NH2 3.01Å; D739-R812 IonicContact OD2-CZ 3.88Å; D739-R812 IonicContact OD2-NH1 3.01Å; D739-R812 IonicContact OD2-NH2 3.95Å; D739-R812 PolarHBondContact OD2-NH2 3.5Å; E808-R812 VanDerWaalsContact O-CB 3.27Å; E808-R812 WeakPolarHBondContact O-CB 3.49Å; E808-R812 PolarHBondContact O-N 2.94Å; H809-R812 PolarHBondContact O-N 3.44Å; Y810-R812 VanDerWaalsContact C-N 3.27Å; Y810-R812 PolarHBondContact O-N 3.31Å; R812-I816 HydrophobicContact CG-CD1 3.89Å; R812-I816 WeakPolarHBondContact O-CB 3.21Å
813	E	69.9	Low	69	Low	100 Å²	100	75.5 Å²	75.5	47%	0.467	43%	0.425	S	S	.	.	H	α-helix	trans	-79.4	-30.1	174	-73	-167	-162.5	0	0	113.9	H809 Y810 Y843	H809-E813 IonicContact CE1-OE1 3.23Å; H809-E813 PolarHBondContact CE1-OE1 2.85Å; H809-E813 IonicContact ND1-OE1 2.95Å; H809-E813 PolarHBondContact O-N 2.82Å; H809-E813 VanDerWaalsContact O-N 3.16Å; Y810-E813 PolarHBondContact O-N 2.85Å; E813-Y843 WeakPolarHBondContact CB-OH 3.47Å; E813-Y843 VanDerWaalsContact CG-OH 3.22Å; E813-Y843 WeakPolarHBondContact CG-OH 3.31Å; E813-Y843 PolarHBondContact OE1-OH 2.86Å
814	T	66.3	Low	69.1	Low	56 Å²	56	71.8 Å²	71.8	34%	0.344	41%	0.41	S	S	.	.	H	α-helix	trans	-93.7	-27.5	-174	57.7	0	0	0	0	115.1	Y810 L811	Y810-T814 HydrophobicContact CD2-CG2 4.17Å; Y810-T814 HydrophobicContact CE1-CG2 4.34Å; Y810-T814 HydrophobicContact CE2-CG2 3.86Å; Y810-T814 WeakPolarHBondContact O-CB 3.37Å; Y810-T814 WeakPolarHBondContact O-CG2 3.41Å; Y810-T814 PolarHBondContact O-N 3.22Å; Y810-T814 PolarHBondContact O-OG1 3.2Å; L811-T814 PolarHBondContact O-N 3.38Å
815	C	61.6	Low	69.1	Low	59 Å²	59	78.6 Å²	78.6	40%	0.399	43%	0.43	S	S	.	.	H	α-helix	trans	-105.9	-37.7	-177.8	-61.6	0	0	0	0	113.3	L811 G817	L811-C815 WeakPolarHBondContact O-CA 3.14Å; L811-C815 VanDerWaalsContact O-CB 3.27Å; L811-C815 WeakPolarHBondContact O-CB 3.48Å; L811-C815 PolarHBondContact O-N 3.37Å; C815-G817 PolarHBondContact O-N 3Å
816	I	52.5	Low	69.2	Low	111 Å²	111	81.4 Å²	81.4	57%	0.569	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	93.2	-178.7	-51.6	-167.4	0	0	0	110.6	R812	R812-I816 HydrophobicContact CG-CD1 3.89Å; R812-I816 WeakPolarHBondContact O-CB 3.21Å
817	G	53.3	Low	69.3	Low	81 Å²	81	86.2 Å²	86.2	84%	0.835	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	149	-21.7	174.5	0	0	0	0	0	114	C815	C815-G817 PolarHBondContact O-N 3Å
818	S	55.3	Low	69.3	Low	65 Å²	65	88.7 Å²	88.7	46%	0.455	49%	0.486	S	S	.	.			trans	-114.2	86.4	177.3	69.6	0	0	0	0	112.3	R820	S818-R820 VanDerWaalsContact C-N 3.29Å; S818-R820 PolarHBondContact O-N 3.26Å
819	S	60.3	Low	69.3	Low	104 Å²	104	91.5 Å²	91.5	73%	0.727	51%	0.505	S	S	*	.			trans	-64.9	93.8	158.5	178.6	0	0	0	0	108
820	R	66.6	Low	69.4	Low	150 Å²	150	91.5 Å²	91.5	57%	0.566	51%	0.511	S	S	*	.			trans	-64.1	130	-179	-64.3	-173.5	-176.4	-174.2	4.4	109.6	S818 A822	S818-R820 VanDerWaalsContact C-N 3.29Å; S818-R820 PolarHBondContact O-N 3.26Å; R820-A822 PolarHBondContact O-N 2.73Å
821	P	69.6	Low	69.2	Low	71 Å²	71	96 Å²	96	46%	0.461	54%	0.538	S	S	.	.			trans	-55.1	138	173.3	-25.6	33.8	0	0	0	111.5	K823 D824	P821-K823 HydrophobicContact CB-CD 4.15Å; P821-K823 HydrophobicContact CB-CG 4.15Å; P821-K823 PolarHBondContact O-N 3.29Å; P821-D824 WeakPolarHBondContact CD-OD2 3.39Å; P821-D824 WeakPolarHBondContact O-CB 3.32Å; P821-D824 PolarHBondContact O-N 2.79Å
822	A	67.4	Low	69.3	Low	85 Å²	85	102.7 Å²	102.7	70%	0.702	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-56	-24.9	-173.8	0	0	0	0	0	114.6	R820 D824 Y825	R820-A822 PolarHBondContact O-N 2.73Å; A822-D824 PolarHBondContact O-N 3.46Å; A822-Y825 VanDerWaalsContact O-CB 3.23Å; A822-Y825 WeakPolarHBondContact O-CB 3.45Å; A822-Y825 PolarHBondContact O-N 2.8Å; A822-Y825 VanDerWaalsContact O-N 3.15Å
823	K	73.7	Confident	69.6	Low	160 Å²	160	104 Å²	104	70%	0.696	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-55.6	-27.8	172.1	81.1	-167.6	-177.7	-178.9	0	113.4	P821 Y825 P826	P821-K823 HydrophobicContact CB-CD 4.15Å; P821-K823 HydrophobicContact CB-CG 4.15Å; P821-K823 PolarHBondContact O-N 3.29Å; K823-Y825 VanDerWaalsContact C-N 3.32Å; K823-P826 WeakPolarHBondContact O-CD 3.49Å
824	D	77.2	Confident	70	Confident	45 Å²	45	101.8 Å²	101.8	24%	0.241	57%	0.571	C	S	.	*	G	3₁₀ helix	trans	-90.4	2.1	-174.7	-57.4	-46.5	0	0	0	111.5	P821 A822 P826 L827	P821-D824 WeakPolarHBondContact CD-OD2 3.39Å; P821-D824 WeakPolarHBondContact O-CB 3.32Å; P821-D824 PolarHBondContact O-N 2.79Å; A822-D824 PolarHBondContact O-N 3.46Å; D824-P826 VanDerWaalsContact C-CD 3.43Å; D824-P826 VanDerWaalsContact C-N 3.35Å; D824-L827 WeakPolarHBondContact O-CA 3.21Å; D824-L827 WeakPolarHBondContact O-CB 3.42Å; D824-L827 PolarHBondContact O-N 2.95Å
825	Y	74.2	Confident	70.5	Confident	177 Å²	177	102.4 Å²	102.4	69%	0.694	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-51.3	-40.5	175.2	177	-96.5	0	0	0	114.1	A822 K823 L827 V828	A822-Y825 VanDerWaalsContact O-CB 3.23Å; A822-Y825 WeakPolarHBondContact O-CB 3.45Å; A822-Y825 PolarHBondContact O-N 2.8Å; A822-Y825 VanDerWaalsContact O-N 3.15Å; K823-Y825 VanDerWaalsContact C-N 3.32Å; Y825-L827 PolarHBondContact O-N 2.83Å; Y825-V828 WeakPolarHBondContact O-CB 3.49Å; Y825-V828 PolarHBondContact O-N 2.92Å
826	P	79.6	Confident	71	Confident	110 Å²	110	102.2 Å²	102.2	71%	0.714	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-65.8	-5.6	174.9	-20.6	34.5	0	0	0	115	K823 D824	K823-P826 WeakPolarHBondContact O-CD 3.49Å; D824-P826 VanDerWaalsContact C-CD 3.43Å; D824-P826 VanDerWaalsContact C-N 3.35Å
827	L	77.1	Confident	72	Confident	138 Å²	138	101.1 Å²	101.1	72%	0.723	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-109	7.6	175.4	-53.8	173.3	0	0	0	112	D824 Y825	D824-L827 WeakPolarHBondContact O-CA 3.21Å; D824-L827 WeakPolarHBondContact O-CB 3.42Å; D824-L827 PolarHBondContact O-N 2.95Å; Y825-L827 PolarHBondContact O-N 2.83Å
828	V	74.2	Confident	72.9	Confident	63 Å²	63	103.2 Å²	103.2	38%	0.382	55%	0.549	S	S	.	.	S	Bend	trans	-100.1	123.3	173.6	178.8	0	0	0	0	108.2	Y825	Y825-V828 WeakPolarHBondContact O-CB 3.49Å; Y825-V828 PolarHBondContact O-N 2.92Å
829	T	78.1	Confident	73.7	Confident	81 Å²	81	103.3 Å²	103.3	50%	0.497	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-66	131	169.1	32.5	0	0	0	0	109.8
830	P	77.3	Confident	74	Confident	69 Å²	69	99 Å²	99	45%	0.448	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-56.4	147.3	172	-25	35.2	0	0	0	111.4	E832 D833 R834	P830-E832 PolarHBondContact O-N 2.72Å; P830-E832 VanDerWaalsContact O-N 3.14Å; P830-D833 WeakPolarHBondContact CD-OD2 3.48Å; P830-D833 WeakPolarHBondContact CG-OD2 3.49Å; P830-D833 PolarHBondContact O-N 2.75Å; P830-D833 VanDerWaalsContact O-N 3.08Å; P830-R834 WeakPolarHBondContact O-CB 3.23Å; P830-R834 PolarHBondContact O-N 2.88Å
831	N	73.2	Confident	74	Confident	140 Å²	140	99.1 Å²	99.1	75%	0.749	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.4	178.1	-72.2	-26	0	0	0	112.9
832	E	76.3	Confident	73.5	Confident	192 Å²	192	99.7 Å²	99.7	90%	0.897	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-34.6	176.4	-62.6	176.9	-169.4	0	0	112.5	P830	P830-E832 PolarHBondContact O-N 2.72Å; P830-E832 VanDerWaalsContact O-N 3.14Å
833	D	78.4	Confident	73.4	Confident	128 Å²	128	98.2 Å²	98.2	68%	0.684	52%	0.515	S	S	*	.	S	Bend	trans	-87.7	-3.2	178	-64.1	-53.8	0	0	0	112.8	P830	P830-D833 WeakPolarHBondContact CD-OD2 3.48Å; P830-D833 WeakPolarHBondContact CG-OD2 3.49Å; P830-D833 PolarHBondContact O-N 2.75Å; P830-D833 VanDerWaalsContact O-N 3.08Å
834	R	77.1	Confident	72.7	Confident	53 Å²	53	98.6 Å²	98.6	20%	0.2	52%	0.52	C	S	.	.			trans	-99.9	97.9	-165.6	-166.7	-175.2	178.5	-159.8	-5.4	113.2	P830 I836 E839	P830-R834 WeakPolarHBondContact O-CB 3.23Å; P830-R834 PolarHBondContact O-N 2.88Å; R834-I836 HydrophobicContact CG-CG1 4.24Å; R834-I836 PolarHBondContact O-N 2.83Å; R834-I836 VanDerWaalsContact O-N 3.09Å; R834-E839 WeakPolarHBondContact CG-OE1 3.33Å; R834-E839 IonicContact CZ-OE1 3.17Å; R834-E839 IonicContact CZ-OE2 3.85Å; R834-E839 VanDerWaalsContact NE-CD 3.31Å; R834-E839 IonicContact NE-OE1 2.98Å; R834-E839 PolarHBondContact NE-OE1 2.71Å; R834-E839 IonicContact NE-OE2 2.76Å; R834-E839 PolarHBondContact NE-OE2 3.23Å; R834-E839 IonicContact NH2-OE2 3.78Å; R834-E839 PolarHBondContact NH2-OE2 3.05Å
835	N	78.4	Confident	71.8	Confident	68 Å²	68	99.8 Å²	99.8	36%	0.364	53%	0.53	S	S	.	.			trans	-80.8	88.6	170.7	-166.4	-7	0	0	0	112.4	L837 E838 E839	N835-L837 PolarHBondContact O-N 2.92Å; N835-L837 PolarHBondContact OD1-N 2.84Å; N835-E838 HydrophobicContact CB-CB 4.19Å; N835-E838 HydrophobicContact CB-CG 4.34Å; N835-E838 WeakPolarHBondContact ND2-CG 3.47Å; N835-E838 PolarHBondContact ND2-OE1 2.98Å; N835-E838 PolarHBondContact O-N 2.93Å; N835-E839 PolarHBondContact O-N 3.34Å; N835-E839 VanDerWaalsContact O-N 3.1Å
836	I	72.3	Confident	70.7	Confident	55 Å²	55	99.9 Å²	99.9	28%	0.282	53%	0.534	S	S	.	.	H	α-helix	trans	-58.2	-30.6	179.7	-57.9	155.5	0	0	0	112.2	A807 L811 R834 E838 E839 A840	A807-I836 HydrophobicContact CB-CG2 3.92Å; L811-I836 HydrophobicContact CD1-CD1 4.28Å; L811-I836 HydrophobicContact CD1-CG2 4.1Å; L811-I836 HydrophobicContact CD2-CG2 4.17Å; L811-I836 HydrophobicContact CG-CG2 4.04Å; R834-I836 HydrophobicContact CG-CG1 4.24Å; R834-I836 PolarHBondContact O-N 2.83Å; R834-I836 VanDerWaalsContact O-N 3.09Å; I836-E838 VanDerWaalsContact C-N 3.33Å; I836-E839 PolarHBondContact O-N 3.38Å; I836-A840 WeakPolarHBondContact O-CB 3.44Å; I836-A840 PolarHBondContact O-N 2.84Å
837	L	71.5	Confident	69.2	Low	88 Å²	88	97.5 Å²	97.5	46%	0.461	53%	0.529	S	S	.	.	H	α-helix	trans	-73.6	-23.1	178.3	-67.4	173.9	0	0	0	113	E803 A807 N835 Q841	E803-L837 HydrophobicContact CB-CD2 4.08Å; A807-L837 HydrophobicContact CB-CD2 4.24Å; N835-L837 PolarHBondContact O-N 2.92Å; N835-L837 PolarHBondContact OD1-N 2.84Å; L837-Q841 WeakPolarHBondContact O-CG 3.15Å
838	E	73.1	Confident	67.2	Low	125 Å²	125	97.3 Å²	97.3	58%	0.584	53%	0.534	S	S	*	.	H	α-helix	trans	-82.3	-41.5	169.9	-77.2	170.7	-152.1	0	0	111.1	N835 I836 A840 Q841	N835-E838 HydrophobicContact CB-CB 4.19Å; N835-E838 HydrophobicContact CB-CG 4.34Å; N835-E838 WeakPolarHBondContact ND2-CG 3.47Å; N835-E838 PolarHBondContact ND2-OE1 2.98Å; N835-E838 PolarHBondContact O-N 2.93Å; I836-E838 VanDerWaalsContact C-N 3.33Å; E838-A840 PolarHBondContact O-N 2.92Å; E838-Q841 WeakPolarHBondContact O-CB 3.4Å; E838-Q841 PolarHBondContact O-N 2.87Å; E838-Q841 VanDerWaalsContact O-N 3.12Å
839	E	71.8	Confident	65.6	Low	67 Å²	67	102.3 Å²	102.3	31%	0.313	55%	0.551	S	S	.	*	H	α-helix	trans	-59.6	-31.9	175.8	-69.5	-176	-179.7	0	0	113.5	Y810 R834 N835 I836	Y810-E839 HydrophobicContact CE1-CB 3.73Å; Y810-E839 PolarHBondContact OH-O 3.13Å; R834-E839 WeakPolarHBondContact CG-OE1 3.33Å; R834-E839 IonicContact CZ-OE1 3.17Å; R834-E839 IonicContact CZ-OE2 3.85Å; R834-E839 VanDerWaalsContact NE-CD 3.31Å; R834-E839 IonicContact NE-OE1 2.98Å; R834-E839 PolarHBondContact NE-OE1 2.71Å; R834-E839 IonicContact NE-OE2 2.76Å; R834-E839 PolarHBondContact NE-OE2 3.23Å; R834-E839 IonicContact NH2-OE2 3.78Å; R834-E839 PolarHBondContact NH2-OE2 3.05Å; N835-E839 PolarHBondContact O-N 3.34Å; N835-E839 VanDerWaalsContact O-N 3.1Å; I836-E839 PolarHBondContact O-N 3.38Å
840	A	67.6	Low	63.5	Low	15 Å²	15	104.1 Å²	104.1	12%	0.124	56%	0.561	C	S	.	*	T	Hydrogen-bonded Turn	trans	-83	-2.8	178.6	0	0	0	0	0	114.5	Y810 I836 E838 G842 Y843	Y810-A840 HydrophobicContact CD1-CB 4.26Å; Y810-A840 HydrophobicContact CD2-CB 4.39Å; Y810-A840 HydrophobicContact CG-CB 4Å; I836-A840 WeakPolarHBondContact O-CB 3.44Å; I836-A840 PolarHBondContact O-N 2.84Å; E838-A840 PolarHBondContact O-N 2.92Å; A840-G842 PolarHBondContact O-N 3.01Å; A840-Y843 WeakPolarHBondContact O-CB 3.33Å; A840-Y843 PolarHBondContact O-N 3.34Å; A840-Y843 VanDerWaalsContact O-N 3.13Å
841	Q	65.1	Low	61.3	Low	151 Å²	151	106 Å²	106	71%	0.706	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	117.5	-177.8	-67.8	-174.1	14.5	0	0	111.8	L837 E838	L837-Q841 WeakPolarHBondContact O-CG 3.15Å; E838-Q841 WeakPolarHBondContact O-CB 3.4Å; E838-Q841 PolarHBondContact O-N 2.87Å; E838-Q841 VanDerWaalsContact O-N 3.12Å
842	G	60.8	Low	59.2	Low	83 Å²	83	108.1 Å²	108.1	86%	0.856	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	95.4	4.7	-176.8	0	0	0	0	0	114.8	A840	A840-G842 PolarHBondContact O-N 3.01Å
843	Y	63.5	Low	56.8	Low	54 Å²	54	107 Å²	107	21%	0.212	57%	0.573	C	S	.	*			trans	-86	112.9	173	178.1	-110.1	0	0	0	111.5	H809 Y810 E813 A840	H809-Y843 HydrophobicContact CB-CE1 4.09Å; H809-Y843 AromaticContact ND1-CE1 3.72Å; H809-Y843 AromaticContact ND1-CZ 3.64Å; H809-Y843 PolarHBondContact ND1-OH 3.37Å; H809-Y843 PolarHBondContact O-OH 2.82Å; Y810-Y843 HydrophobicContact CD2-CD1 4.1Å; Y810-Y843 HydrophobicContact CD2-CD2 4.01Å; Y810-Y843 HydrophobicContact CD2-CE1 4.44Å; Y810-Y843 HydrophobicContact CD2-CE2 4.37Å; Y810-Y843 AromaticContact CD2-CG 3.84Å; Y810-Y843 HydrophobicContact CD2-CG 3.84Å; Y810-Y843 HydrophobicContact CG-CD1 4.46Å; Y810-Y843 VanDerWaalsContact N-CE1 3.32Å; E813-Y843 WeakPolarHBondContact CB-OH 3.47Å; E813-Y843 VanDerWaalsContact CG-OH 3.22Å; E813-Y843 WeakPolarHBondContact CG-OH 3.31Å; E813-Y843 PolarHBondContact OE1-OH 2.86Å; A840-Y843 WeakPolarHBondContact O-CB 3.33Å; A840-Y843 PolarHBondContact O-N 3.34Å; A840-Y843 VanDerWaalsContact O-N 3.13Å
844	E	59.3	Low	54.5	Low	169 Å²	169	105.6 Å²	105.6	79%	0.79	57%	0.571	S	S	*	*			trans	-93.5	120.6	170.3	-68.4	-171.5	153.9	0	0	110.4	K846	E844-K846 PolarHBondContact O-N 3.27Å
845	P	59.5	Low	52.1	Low	69 Å²	69	111.9 Å²	111.9	45%	0.448	60%	0.603	S	S	.	*			trans	-70.8	129.9	-179.5	28.3	-34.2	0	0	0	111.5	H809 G847	H809-P845 HydrophobicContact CB-CB 4.49Å; P845-G847 VanDerWaalsContact C-N 3.31Å; P845-G847 PolarHBondContact O-N 3.32Å
846	K	50.2	Low	49.6	Very low	180 Å²	180	114.4 Å²	114.4	78%	0.783	62%	0.621	S	S	*	*	S	Bend	trans	-82.9	63.7	-175.3	-69.5	173.7	-175	151.6	0	113.4	E844	E844-K846 PolarHBondContact O-N 3.27Å
847	G	48.3	Very low	47.4	Very low	59 Å²	59	121.8 Å²	121.8	61%	0.608	65%	0.651	S	S	*	*	S	Bend	trans	179.3	145.8	170.9	0	0	0	0	0	114.7	P845	P845-G847 VanDerWaalsContact C-N 3.31Å; P845-G847 PolarHBondContact O-N 3.32Å
848	T	36.1	Very low	45.2	Very low	135 Å²	135	126.1 Å²	126.1	83%	0.828	67%	0.669	S	S	*	*			trans	-70	141	164.4	-35.6	0	0	0	0	109.1	V850	T848-V850 PolarHBondContact O-N 2.79Å; T848-V850 VanDerWaalsContact O-N 3.07Å
849	F	40.7	Very low	43.1	Very low	167 Å²	167	125.4 Å²	125.4	73%	0.732	68%	0.678	S	S	*	*			trans	-58.3	112.4	179.3	-130	-97.7	0	0	0	111.2
850	V	33.8	Very low	40.9	Very low	119 Å²	119	129.7 Å²	129.7	72%	0.721	70%	0.703	S	S	*	*			trans	-123	119.8	168.2	-177	0	0	0	0	106.9	T848 F852	T848-V850 PolarHBondContact O-N 2.79Å; T848-V850 VanDerWaalsContact O-N 3.07Å; V850-F852 PolarHBondContact O-N 3Å
851	P	30.2	Very low	38.9	Very low	108 Å²	108	137.4 Å²	137.4	70%	0.701	74%	0.736	S	S	*	*			trans	-57.6	123.7	172.4	-23.2	34	0	0	0	109.7	M853	P851-M853 VanDerWaalsContact C-N 3.32Å; P851-M853 PolarHBondContact O-N 3.07Å
852	F	30.2	Very low	37	Very low	185 Å²	185	135.2 Å²	135.2	81%	0.811	74%	0.738	S	S	*	*			trans	-72.8	87.6	-177.8	-165	-88.1	0	0	0	109.9	V850 P854	V850-F852 PolarHBondContact O-N 3Å; F852-P854 WeakPolarHBondContact O-CD 3.36Å
853	M	24.8	Very low	35.4	Very low	168 Å²	168	136.5 Å²	136.5	83%	0.828	73%	0.734	S	S	*	*			trans	-63.3	118	161.4	-75.7	-176.4	168.2	0	0	107.5	P851 Q855	P851-M853 VanDerWaalsContact C-N 3.32Å; P851-M853 PolarHBondContact O-N 3.07Å; M853-Q855 PolarHBondContact O-N 2.95Å
854	P	29.3	Very low	33.5	Very low	100 Å²	100	138.8 Å²	138.8	65%	0.649	76%	0.757	S	S	*	*			trans	-62.2	131.5	173.6	26.9	-33	0	0	0	108.5	F852 T856	F852-P854 WeakPolarHBondContact O-CD 3.36Å; P854-T856 PolarHBondContact O-N 2.8Å
855	Q	27.1	Very low	31.9	Very low	184 Å²	184	137.3 Å²	137.3	86%	0.86	76%	0.76	S	S	*	*			trans	-64.1	103.1	172.3	-72.3	-179.1	-23.7	0	0	108.9	M853 K857	M853-Q855 PolarHBondContact O-N 2.95Å; Q855-K857 PolarHBondContact O-N 2.76Å; Q855-K857 VanDerWaalsContact O-N 3.14Å
856	T	25.6	Very low	30.8	Very low	121 Å²	121	139.2 Å²	139.2	74%	0.742	77%	0.772	S	S	*	*			trans	-56.6	117	158.3	40.4	0	0	0	0	107.5	P854 E858	P854-T856 PolarHBondContact O-N 2.8Å; T856-E858 PolarHBondContact O-N 2.73Å
857	K	26	Very low	29.6	Very low	210 Å²	210	135.3 Å²	135.3	91%	0.913	77%	0.774	S	S	*	*			trans	-68.5	87.4	163.8	-75.4	-177.2	175.8	179	0	107.6	Q855 S859	Q855-K857 PolarHBondContact O-N 2.76Å; Q855-K857 VanDerWaalsContact O-N 3.14Å; K857-S859 PolarHBondContact O-N 3.45Å
858	E	25.9	Very low	28.6	Very low	179 Å²	179	137.2 Å²	137.2	84%	0.836	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-59.9	126	158.4	-69.5	-173.6	131.3	0	0	107.5	T856	T856-E858 PolarHBondContact O-N 2.73Å
859	S	29.6	Very low	28.1	Very low	111 Å²	111	135.6 Å²	135.6	78%	0.776	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-89.8	120.1	162.1	51.1	0	0	0	0	107.8	K857	K857-S859 PolarHBondContact O-N 3.45Å
860	D	25.1	Very low	27.4	Very low	156 Å²	156	136.7 Å²	136.7	83%	0.834	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-50.7	144	157.5	-68.6	-58.5	0	0	0	109.4
861	E	26.9	Very low	27	Very low	177 Å²	177	137.3 Å²	137.3	83%	0.827	79%	0.789	S	S	*	*			cis	-140	168.6	21.5	-66	179.5	118.3	0	0	114.6
862	S	25.1	Very low	27.5	Very low	106 Å²	106	137.4 Å²	137.4	74%	0.741	79%	0.79	S	S	*	*			trans	88.9	82.3	144.1	72.5	0	0	0	0	122.7
863	S	25.5	Very low	27.2	Very low	109 Å²	109	134.2 Å²	134.2	76%	0.762	79%	0.79	S	S	*	*				40	134.9	122.9	70.3	0	0	0	0	121.2
864	S	24.1	Very low	27.3	Very low	102 Å²	102	134.4 Å²	134.4	71%	0.713	79%	0.789	S	S	*	*				174	133.5	64.4	46.6	0	0	0	0	116.2
865	V	26.8	Very low	28	Very low	139 Å²	139	134.5 Å²	134.5	84%	0.842	79%	0.79	S	S	*	*			trans	64.5	166.7	153.5	-102.8	0	0	0	0	121.3
866	P	35.6	Very low	27.8	Very low	109 Å²	109	134.1 Å²	134.1	71%	0.708	79%	0.785	S	S	*	*				-141.2	-179.6	-122.5	46.6	-26.3	0	0	0	119.8
867	A	25.6	Very low	28.5	Very low	98 Å²	98	133.6 Å²	133.6	81%	0.81	78%	0.784	S	S	*	*			trans	57	144.1	145.1	0	0	0	0	0	121.2
868	A	27.6	Very low	28.5	Very low	99 Å²	99	128.3 Å²	128.3	82%	0.818	78%	0.779	S	S	*	*			cis	-165.2	-156.8	-10.8	0	0	0	0	0	107.3
869	S	25.5	Very low	29.3	Very low	100 Å²	100	125 Å²	125	70%	0.699	77%	0.772	S	S	*	*			cis	-167.9	150.3	6.3	48.3	0	0	0	0	112.6
870	E	25.6	Very low	29.8	Very low	190 Å²	190	124.2 Å²	124.2	89%	0.888	76%	0.764	S	S	*	*			trans	72.8	169.7	150.9	-71.9	179.6	-166.6	0	0	122.7
871	T	24.4	Very low	30	Very low	132 Å²	132	123.2 Å²	123.2	81%	0.81	75%	0.754	S	S	*	*			trans	-133.2	-158.9	-153.6	58.1	0	0	0	0	110.5
872	P	41.5	Very low	30	Very low	110 Å²	110	119.6 Å²	119.6	71%	0.714	75%	0.754	S	S	*	*			cis	-144	-173.8	-1.8	43.5	-23.3	0	0	0	118.8
873	S	23.6	Very low	30.1	Very low	118 Å²	118	119.1 Å²	119.1	83%	0.825	76%	0.757	S	S	*	*			trans	110.4	160.1	144.9	78.4	0	0	0	0	121.1
874	Q	26.4	Very low	30.3	Very low	173 Å²	173	120.6 Å²	120.6	81%	0.808	76%	0.761	S	S	*	*			trans	-129.5	-156.6	-160.1	-60.7	-171.6	-24	0	0	110.3
875	P	43.8	Very low	30.8	Very low	101 Å²	101	123.9 Å²	123.9	66%	0.656	77%	0.765	S	S	*	*			cis	-150.4	162.6	-0.4	42.4	-20.5	0	0	0	122.1
876	K	23.5	Very low	30.9	Very low	176 Å²	176	123.4 Å²	123.4	77%	0.765	76%	0.757	S	S	*	*			trans	69.8	165.5	138.2	-83	-175.8	178.3	-171.3	0	121.6
877	P	39.9	Very low	30.8	Very low	111 Å²	111	127.2 Å²	127.2	72%	0.721	77%	0.766	S	S	*	*			cis	-146.3	170.4	-27.7	38.8	-20.4	0	0	0	118.6
878	A	26.8	Very low	31.3	Very low	98 Å²	98	131.1 Å²	131.1	81%	0.81	77%	0.767	S	S	*	*			trans	80.5	145	136.7	0	0	0	0	0	124.9
879	T	42.3	Very low	31.6	Very low	111 Å²	111	133.7 Å²	133.7	68%	0.681	76%	0.763	S	S	*	*			trans	-117.8	173.6	164.2	53.1	0	0	0	0	110.4
880	P	40.6	Very low	32.1	Very low	94 Å²	94	137 Å²	137	61%	0.61	77%	0.767	S	S	*	*				-157.4	150.3	122.1	37.9	-18.7	0	0	0	119.8
881	E	29.5	Very low	32.6	Very low	135 Å²	135	136.6 Å²	136.6	63%	0.631	77%	0.765	S	S	*	*			trans	63.5	99.2	132.3	-66.8	145.3	-132.1	0	0	124.8	K783	K783-E881 IonicContact NZ-OE1 2.69Å; K783-E881 PolarHBondContact NZ-OE1 2.66Å; K783-E881 IonicContact NZ-OE2 2.75Å
882	A	26.9	Very low	33.2	Very low	100 Å²	100	136.5 Å²	136.5	83%	0.826	76%	0.756	S	S	*	*				82	127.9	106.2	0	0	0	0	0	125.9
883	A	27.2	Very low	33	Very low	97 Å²	97	138.2 Å²	138.2	80%	0.802	75%	0.754	S	S	*	*			trans	83.2	121.4	137.2	0	0	0	0	0	123.3
884	V	28.2	Very low	33.7	Very low	140 Å²	140	140 Å²	140	85%	0.848	75%	0.749	S	S	*	*				-176.7	151	114.4	149.9	0	0	0	0	109.2
885	H	35	Very low	34.3	Very low	171 Å²	171	138.8 Å²	138.8	79%	0.792	74%	0.744	S	S	*	*			trans	-90.5	147	171.4	-100.4	-76.7	0	0	0	111.5
886	N	28.9	Very low	34.1	Very low	128 Å²	128	138.9 Å²	138.9	68%	0.684	73%	0.734	S	S	*	*			trans	-132.4	155.5	151.9	-95.2	1.9	0	0	0	107.8
887	E	35.1	Very low	35	Very low	190 Å²	190	136.4 Å²	136.4	89%	0.888	73%	0.725	S	S	*	*	S	Bend	trans	-114.4	48.3	-174	-62.9	173.4	137.9	0	0	111
888	E	34.2	Very low	35	Very low	179 Å²	179	138 Å²	138	84%	0.836	72%	0.723	S	S	*	*	S	Bend	trans	-136.3	15.2	-175.8	-67.6	-174.2	145.9	0	0	113.9
889	E	35.3	Very low	35.7	Very low	154 Å²	154	140 Å²	140	72%	0.72	72%	0.715	S	S	*	*	S	Bend	trans	-116.2	-10.8	-178.6	-69.3	178.2	149.3	0	0	114.3	E891 E892	E889-E891 PolarHBondContact O-N 3.29Å; E889-E892 PolarHBondContact O-N 2.76Å
890	E	35.7	Very low	35.8	Very low	170 Å²	170	141.7 Å²	141.7	79%	0.794	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-20.3	-175.9	-67.6	-176.5	157	0	0	114.5
891	E	36.3	Very low	35.9	Very low	180 Å²	180	142.7 Å²	142.7	84%	0.841	71%	0.71	S	S	*	*	H	α-helix	trans	-82	-11	174.7	-69.4	-173.4	161.5	0	0	113.4	E889	E889-E891 PolarHBondContact O-N 3.29Å
892	E	37.4	Very low	36.5	Very low	131 Å²	131	143.4 Å²	143.4	61%	0.612	71%	0.713	S	S	*	*	H	α-helix	trans	-99	-8.3	178.5	-99.7	-152.9	-136.8	0	0	114.1	E889 K896	E889-E892 PolarHBondContact O-N 2.76Å; E892-K896 WeakPolarHBondContact O-CG 3.31Å; E892-K896 PolarHBondContact O-NZ 3.27Å; E892-K896 IonicContact OE2-NZ 3.38Å; E892-K896 PolarHBondContact OE2-NZ 2.98Å
893	E	37.6	Very low	37.3	Very low	146 Å²	146	145.4 Å²	145.4	68%	0.682	71%	0.706	S	S	*	*	H	α-helix	trans	-94.7	-30.1	176.2	-66.6	-164.7	143	0	0	113.1	K896 E897	E893-K896 PolarHBondContact O-N 3.06Å; E893-E897 PolarHBondContact O-N 2.95Å; E893-E897 VanDerWaalsContact O-N 3.11Å
894	E	38	Very low	38.1	Very low	156 Å²	156	146.7 Å²	146.7	73%	0.729	70%	0.695	S	S	*	*	H	α-helix	trans	-66.9	-41.8	177.5	-69.5	-163.9	144.3	0	0	113	K896 E897 E898	E894-K896 VanDerWaalsContact C-N 3.3Å; E894-K896 PolarHBondContact O-N 2.92Å; E894-E897 PolarHBondContact O-N 3.17Å; E894-E898 PolarHBondContact O-N 3.19Å
895	E	38.4	Very low	38.8	Very low	147 Å²	147	146.4 Å²	146.4	69%	0.687	68%	0.684	S	S	*	*	H	α-helix	trans	-62.5	-35.3	176.8	-70.3	-168.4	149.2	0	0	112.3	E898 E899	E895-E898 PolarHBondContact O-N 3.06Å; E895-E899 PolarHBondContact O-N 3.14Å
896	K	40.4	Very low	39.1	Very low	102 Å²	102	145 Å²	145	44%	0.443	68%	0.678	S	S	.	*	H	α-helix	trans	-74.4	-33.7	179.4	-62.2	-175.5	-173.9	84.3	0	112.1	E892 E893 E894 E898 E900	E892-K896 WeakPolarHBondContact O-CG 3.31Å; E892-K896 PolarHBondContact O-NZ 3.27Å; E892-K896 IonicContact OE2-NZ 3.38Å; E892-K896 PolarHBondContact OE2-NZ 2.98Å; E893-K896 PolarHBondContact O-N 3.06Å; E894-K896 VanDerWaalsContact C-N 3.3Å; E894-K896 PolarHBondContact O-N 2.92Å; K896-E898 VanDerWaalsContact C-N 3.27Å; K896-E898 PolarHBondContact O-N 3.37Å; K896-E900 PolarHBondContact O-N 3.39Å; K896-E900 VanDerWaalsContact O-N 3.1Å
897	E	40.6	Very low	39.9	Very low	124 Å²	124	145.9 Å²	145.9	58%	0.579	68%	0.678	S	S	*	*	H	α-helix	trans	-71.5	-17.2	173.4	-99.7	-145.9	-146.2	0	0	113.1	E893 E894 K901	E893-E897 PolarHBondContact O-N 2.95Å; E893-E897 VanDerWaalsContact O-N 3.11Å; E894-E897 PolarHBondContact O-N 3.17Å; E897-K901 WeakPolarHBondContact O-CD 3.31Å; E897-K901 VanDerWaalsContact O-CG 3.25Å; E897-K901 WeakPolarHBondContact O-CG 3.44Å; E897-K901 PolarHBondContact O-NZ 2.72Å; E897-K901 IonicContact OE2-NZ 2.63Å; E897-K901 PolarHBondContact OE2-NZ 3.27Å
898	E	41.2	Very low	40.4	Very low	145 Å²	145	142.3 Å²	142.3	68%	0.678	66%	0.66	S	S	*	*	H	α-helix	trans	-84.8	-43.5	168.5	-65.6	-160.3	141	0	0	112.1	E894 E895 K896 E900 K901 E902	E894-E898 PolarHBondContact O-N 3.19Å; E895-E898 PolarHBondContact O-N 3.06Å; K896-E898 VanDerWaalsContact C-N 3.27Å; K896-E898 PolarHBondContact O-N 3.37Å; E898-E900 PolarHBondContact O-N 3.17Å; E898-K901 PolarHBondContact O-N 3.46Å; E898-E902 PolarHBondContact O-N 3.36Å; E898-E902 VanDerWaalsContact O-N 3.1Å
899	E	41.3	Very low	40.8	Very low	140 Å²	140	139 Å²	139	65%	0.654	65%	0.647	S	S	*	*	H	α-helix	trans	-58.4	-45.9	175.8	-73.3	-169.6	144.2	0	0	112.7	E895 K901 E902 E903	E895-E899 PolarHBondContact O-N 3.14Å; E899-K901 PolarHBondContact O-N 2.98Å; E899-E902 PolarHBondContact O-N 2.88Å; E899-E903 PolarHBondContact O-N 2.87Å; E899-E903 VanDerWaalsContact O-N 3.09Å
900	E	43.3	Very low	41.3	Very low	146 Å²	146	135.5 Å²	135.5	68%	0.682	64%	0.636	S	S	*	*	H	α-helix	trans	-64.3	-20.1	177.4	-74.8	-166.8	165.3	0	0	113.2	K896 E898 E904	K896-E900 PolarHBondContact O-N 3.39Å; K896-E900 VanDerWaalsContact O-N 3.1Å; E898-E900 PolarHBondContact O-N 3.17Å; E900-E904 PolarHBondContact O-N 2.83Å
901	K	43.8	Very low	41.5	Very low	115 Å²	115	133.4 Å²	133.4	50%	0.5	63%	0.625	S	S	.	*	H	α-helix	trans	-86.6	-34.3	176.6	-70.1	-179	-168.9	87.4	0	112.5	E897 E898 E899 E905	E897-K901 WeakPolarHBondContact O-CD 3.31Å; E897-K901 VanDerWaalsContact O-CG 3.25Å; E897-K901 WeakPolarHBondContact O-CG 3.44Å; E897-K901 PolarHBondContact O-NZ 2.72Å; E897-K901 IonicContact OE2-NZ 2.63Å; E897-K901 PolarHBondContact OE2-NZ 3.27Å; E898-K901 PolarHBondContact O-N 3.46Å; E899-K901 PolarHBondContact O-N 2.98Å; K901-E905 PolarHBondContact O-N 2.89Å
902	E	42.6	Very low	41.8	Very low	150 Å²	150	127.2 Å²	127.2	70%	0.701	61%	0.605	S	S	*	*	H	α-helix	trans	-69.4	-42.1	173.1	-66.8	-159.3	144.9	0	0	111.5	E898 E899 E904 E905 E906	E898-E902 PolarHBondContact O-N 3.36Å; E898-E902 VanDerWaalsContact O-N 3.1Å; E899-E902 PolarHBondContact O-N 2.88Å; E902-E904 VanDerWaalsContact C-N 3.32Å; E902-E904 PolarHBondContact O-N 2.83Å; E902-E905 PolarHBondContact O-N 3.49Å; E902-E905 VanDerWaalsContact O-N 3.11Å; E902-E906 PolarHBondContact O-N 2.78Å
903	E	43.3	Very low	42.1	Very low	143 Å²	143	126.7 Å²	126.7	67%	0.668	60%	0.602	S	S	*	*	H	α-helix	trans	-60.7	-39.7	173.3	-71.5	-160.6	149.7	0	0	111.9	E899 E905 E906 E907	E899-E903 PolarHBondContact O-N 2.87Å; E899-E903 VanDerWaalsContact O-N 3.09Å; E903-E905 VanDerWaalsContact C-N 3.3Å; E903-E905 PolarHBondContact O-N 2.83Å; E903-E906 PolarHBondContact O-N 3.24Å; E903-E907 PolarHBondContact O-N 3.2Å
904	E	42.6	Very low	42.3	Very low	123 Å²	123	121.3 Å²	121.3	58%	0.575	58%	0.581	S	S	*	*	H	α-helix	trans	-67.4	-24.3	176	-114.8	-151.5	-152	0	0	113.2	E900 E902 K908	E900-E904 PolarHBondContact O-N 2.83Å; E902-E904 VanDerWaalsContact C-N 3.32Å; E902-E904 PolarHBondContact O-N 2.83Å; E904-K908 WeakPolarHBondContact O-CD 3.5Å; E904-K908 VanDerWaalsContact O-CG 3.24Å; E904-K908 WeakPolarHBondContact O-CG 3.38Å; E904-K908 PolarHBondContact O-NZ 2.95Å; E904-K908 IonicContact OE2-NZ 3.67Å; E904-K908 PolarHBondContact OE2-NZ 2.89Å
905	E	43.7	Very low	42.6	Very low	134 Å²	134	119.3 Å²	119.3	63%	0.626	57%	0.571	S	S	*	*	H	α-helix	trans	-83.2	-36	171.7	-69.1	-147.2	146.3	0	0	112.6	K901 E902 E903 K908 L909	K901-E905 PolarHBondContact O-N 2.89Å; E902-E905 PolarHBondContact O-N 3.49Å; E902-E905 VanDerWaalsContact O-N 3.11Å; E903-E905 VanDerWaalsContact C-N 3.3Å; E903-E905 PolarHBondContact O-N 2.83Å; E905-K908 PolarHBondContact O-N 3.48Å; E905-L909 WeakPolarHBondContact O-CB 3.42Å; E905-L909 WeakPolarHBondContact O-CG 3.4Å; E905-L909 PolarHBondContact O-N 2.78Å
906	E	41.7	Very low	42.8	Very low	141 Å²	141	119.2 Å²	119.2	66%	0.659	57%	0.569	S	S	*	*	H	α-helix	trans	-64.8	-39.8	173.8	-71.7	-143.8	138	0	0	112.7	E902 E903 K908 L909 T910	E902-E906 PolarHBondContact O-N 2.78Å; E903-E906 PolarHBondContact O-N 3.24Å; E906-K908 VanDerWaalsContact C-N 3.32Å; E906-K908 PolarHBondContact O-N 3.47Å; E906-L909 PolarHBondContact O-N 2.92Å; E906-T910 WeakPolarHBondContact O-CB 3.24Å; E906-T910 WeakPolarHBondContact O-CG2 3.48Å; E906-T910 PolarHBondContact O-N 3.25Å; E906-T910 PolarHBondContact O-OG1 2.7Å
907	E	45	Very low	42.9	Very low	148 Å²	148	120.5 Å²	120.5	69%	0.692	58%	0.576	S	S	*	*	H	α-helix	trans	-62.1	-38.3	172.9	-78.9	-145.6	139.9	0	0	112	E903 T910 F911	E903-E907 PolarHBondContact O-N 3.2Å; E907-T910 WeakPolarHBondContact CA-OG1 3.28Å; E907-T910 PolarHBondContact O-OG1 2.73Å; E907-T910 VanDerWaalsContact O-OG1 3.13Å; E907-F911 VanDerWaalsContact O-CB 3.3Å; E907-F911 WeakPolarHBondContact O-CB 3.4Å; E907-F911 PolarHBondContact O-N 2.85Å
908	K	45.2	Very low	43	Very low	115 Å²	115	120.3 Å²	120.3	50%	0.5	57%	0.574	S	S	.	*	H	α-helix	trans	-70.2	-38.1	177.3	-69	177.8	-162.8	88.4	0	112	E904 E905 E906 A912	E904-K908 WeakPolarHBondContact O-CD 3.5Å; E904-K908 VanDerWaalsContact O-CG 3.24Å; E904-K908 WeakPolarHBondContact O-CG 3.38Å; E904-K908 PolarHBondContact O-NZ 2.95Å; E904-K908 IonicContact OE2-NZ 3.67Å; E904-K908 PolarHBondContact OE2-NZ 2.89Å; E905-K908 PolarHBondContact O-N 3.48Å; E906-K908 VanDerWaalsContact C-N 3.32Å; E906-K908 PolarHBondContact O-N 3.47Å; K908-A912 WeakPolarHBondContact O-CB 3.39Å; K908-A912 PolarHBondContact O-N 3.49Å; K908-A912 VanDerWaalsContact O-N 3.11Å
909	L	42.9	Very low	43.2	Very low	108 Å²	108	117 Å²	117	57%	0.565	56%	0.564	S	S	*	*	H	α-helix	trans	-67.9	-43.9	176.2	-79.9	164	0	0	0	112.2	E905 E906 A912 Q913	E905-L909 WeakPolarHBondContact O-CB 3.42Å; E905-L909 WeakPolarHBondContact O-CG 3.4Å; E905-L909 PolarHBondContact O-N 2.78Å; E906-L909 PolarHBondContact O-N 2.92Å; L909-A912 PolarHBondContact O-N 3.46Å; L909-Q913 WeakPolarHBondContact O-CG 3.46Å; L909-Q913 PolarHBondContact O-N 2.86Å
910	T	45.9	Very low	43.2	Very low	81 Å²	81	115.3 Å²	115.3	50%	0.497	56%	0.558	S	S	.	*	H	α-helix	trans	-69	-37.5	177.1	51.2	0	0	0	0	112.2	E906 E907 A912 Q913 S914	E906-T910 WeakPolarHBondContact O-CB 3.24Å; E906-T910 WeakPolarHBondContact O-CG2 3.48Å; E906-T910 PolarHBondContact O-N 3.25Å; E906-T910 PolarHBondContact O-OG1 2.7Å; E907-T910 WeakPolarHBondContact CA-OG1 3.28Å; E907-T910 PolarHBondContact O-OG1 2.73Å; E907-T910 VanDerWaalsContact O-OG1 3.13Å; T910-A912 PolarHBondContact O-N 3.37Å; T910-Q913 PolarHBondContact O-N 2.99Å; T910-S914 PolarHBondContact O-N 3.37Å
911	F	41.3	Very low	43.3	Very low	127 Å²	127	113.4 Å²	113.4	56%	0.557	55%	0.553	S	S	*	*	H	α-helix	trans	-59.7	-47	172.1	-164.1	-86	0	0	0	111.5	E907 Q913 S914 E915	E907-F911 VanDerWaalsContact O-CB 3.3Å; E907-F911 WeakPolarHBondContact O-CB 3.4Å; E907-F911 PolarHBondContact O-N 2.85Å; F911-Q913 VanDerWaalsContact C-N 3.31Å; F911-Q913 PolarHBondContact O-N 3.35Å; F911-S914 PolarHBondContact O-N 2.8Å; F911-S914 VanDerWaalsContact O-N 3.1Å; F911-S914 PolarHBondContact O-OG 2.91Å; F911-E915 HydrophobicContact CD1-CG 4.32Å; F911-E915 HydrophobicContact CE1-CG 4.04Å; F911-E915 PolarHBondContact O-N 2.98Å; F911-E915 VanDerWaalsContact O-N 3.08Å
912	A	42.4	Very low	43.3	Very low	50 Å²	50	114.7 Å²	114.7	41%	0.413	56%	0.561	S	S	.	*	H	α-helix	trans	-68.1	-23.9	178.3	0	0	0	0	0	114.2	K908 L909 T910	K908-A912 WeakPolarHBondContact O-CB 3.39Å; K908-A912 PolarHBondContact O-N 3.49Å; K908-A912 VanDerWaalsContact O-N 3.11Å; L909-A912 PolarHBondContact O-N 3.46Å; T910-A912 PolarHBondContact O-N 3.37Å
913	Q	43.4	Very low	43.3	Very low	119 Å²	119	112.6 Å²	112.6	56%	0.556	55%	0.554	S	S	*	*	H	α-helix	trans	-73.7	-43.4	167	-73.4	176.6	3.7	0	0	110.9	L909 T910 F911 E915 K916 E917	L909-Q913 WeakPolarHBondContact O-CG 3.46Å; L909-Q913 PolarHBondContact O-N 2.86Å; T910-Q913 PolarHBondContact O-N 2.99Å; F911-Q913 VanDerWaalsContact C-N 3.31Å; F911-Q913 PolarHBondContact O-N 3.35Å; Q913-E915 VanDerWaalsContact C-N 3.29Å; Q913-E915 PolarHBondContact O-N 2.73Å; Q913-K916 WeakPolarHBondContact O-CA 3.48Å; Q913-K916 WeakPolarHBondContact O-CB 3.26Å; Q913-K916 PolarHBondContact O-N 3.28Å; Q913-E917 PolarHBondContact O-N 3.33Å
914	S	42	Very low	43.3	Very low	34 Å²	34	112 Å²	112	24%	0.238	55%	0.551	C	S	.	*	H	α-helix	trans	-64.9	-27.8	-179.6	87.4	0	0	0	0	114.1	T910 F911 K918	T910-S914 PolarHBondContact O-N 3.37Å; F911-S914 PolarHBondContact O-N 2.8Å; F911-S914 VanDerWaalsContact O-N 3.1Å; F911-S914 PolarHBondContact O-OG 2.91Å; S914-K918 WeakPolarHBondContact O-CD 3.11Å; S914-K918 VanDerWaalsContact O-CG 3.29Å; S914-K918 WeakPolarHBondContact O-CG 3.45Å; S914-K918 PolarHBondContact O-N 2.93Å
915	E	42.8	Very low	43.5	Very low	113 Å²	113	110.5 Å²	110.5	53%	0.528	55%	0.55	S	S	.	.	H	α-helix	trans	-73.7	-37.4	170.7	-70	-164.5	143	0	0	111.6	F911 Q913 K918 T919	F911-E915 HydrophobicContact CD1-CG 4.32Å; F911-E915 HydrophobicContact CE1-CG 4.04Å; F911-E915 PolarHBondContact O-N 2.98Å; F911-E915 VanDerWaalsContact O-N 3.08Å; Q913-E915 VanDerWaalsContact C-N 3.29Å; Q913-E915 PolarHBondContact O-N 2.73Å; E915-K918 PolarHBondContact O-N 3Å; E915-T919 WeakPolarHBondContact O-CG2 3.37Å; E915-T919 PolarHBondContact O-N 3.34Å; E915-T919 PolarHBondContact O-OG1 2.74Å
916	K	42.4	Very low	43.4	Very low	146 Å²	146	110 Å²	110	64%	0.635	55%	0.551	S	S	*	*	H	α-helix	trans	-66.3	-43	175.8	-77.7	178.8	178.6	173.7	0	112.7	Q913 T919 L920	Q913-K916 WeakPolarHBondContact O-CA 3.48Å; Q913-K916 WeakPolarHBondContact O-CB 3.26Å; Q913-K916 PolarHBondContact O-N 3.28Å; K916-T919 WeakPolarHBondContact CA-OG1 3.48Å; K916-T919 PolarHBondContact O-N 3.12Å; K916-T919 PolarHBondContact O-OG1 3.31Å; K916-L920 PolarHBondContact O-N 3.18Å
917	E	42.8	Very low	43.5	Very low	129 Å²	129	109.3 Å²	109.3	60%	0.603	55%	0.552	S	S	*	*	H	α-helix	trans	-60.7	-44.1	175.8	-70.7	-176.6	144.1	0	0	111.1	Q913 T919 L920 D921	Q913-E917 PolarHBondContact O-N 3.33Å; E917-T919 PolarHBondContact O-N 3.2Å; E917-L920 WeakPolarHBondContact O-CA 3.32Å; E917-L920 WeakPolarHBondContact O-CB 3.44Å; E917-L920 PolarHBondContact O-N 2.87Å; E917-D921 PolarHBondContact O-N 3.38Å
918	K	42.5	Very low	43.3	Very low	120 Å²	120	109.8 Å²	109.8	52%	0.522	56%	0.559	S	S	.	*	H	α-helix	trans	-59.2	-42	173.6	-72.3	164.9	-169.1	147.6	0	113	S914 E915 L920 D921 E922	S914-K918 WeakPolarHBondContact O-CD 3.11Å; S914-K918 VanDerWaalsContact O-CG 3.29Å; S914-K918 WeakPolarHBondContact O-CG 3.45Å; S914-K918 PolarHBondContact O-N 2.93Å; E915-K918 PolarHBondContact O-N 3Å; K918-L920 PolarHBondContact O-N 3.08Å; K918-D921 PolarHBondContact O-N 3.3Å; K918-E922 WeakPolarHBondContact O-CB 3.47Å; K918-E922 WeakPolarHBondContact O-CG 3.47Å; K918-E922 PolarHBondContact O-N 3.34Å
919	T	45.5	Very low	43	Very low	76 Å²	76	110 Å²	110	47%	0.466	57%	0.566	S	S	.	*	H	α-helix	trans	-70.1	-14.6	175.5	57.4	0	0	0	0	114	E915 K916 E917 L923	E915-T919 WeakPolarHBondContact O-CG2 3.37Å; E915-T919 PolarHBondContact O-N 3.34Å; E915-T919 PolarHBondContact O-OG1 2.74Å; K916-T919 WeakPolarHBondContact CA-OG1 3.48Å; K916-T919 PolarHBondContact O-N 3.12Å; K916-T919 PolarHBondContact O-OG1 3.31Å; E917-T919 PolarHBondContact O-N 3.2Å; T919-L923 VanDerWaalsContact O-CD1 3.27Å; T919-L923 WeakPolarHBondContact O-CD1 3.29Å; T919-L923 VanDerWaalsContact O-CG 3.24Å; T919-L923 WeakPolarHBondContact O-CG 3.28Å
920	L	42.4	Very low	42.9	Very low	104 Å²	104	112.2 Å²	112.2	55%	0.545	58%	0.575	S	S	.	*	H	α-helix	trans	-87.9	-45.3	172.2	-91	152.3	0	0	0	111.1	K916 E917 K918 E922 L923 E924	K916-L920 PolarHBondContact O-N 3.18Å; E917-L920 WeakPolarHBondContact O-CA 3.32Å; E917-L920 WeakPolarHBondContact O-CB 3.44Å; E917-L920 PolarHBondContact O-N 2.87Å; K918-L920 PolarHBondContact O-N 3.08Å; L920-E922 VanDerWaalsContact C-N 3.32Å; L920-E922 PolarHBondContact O-N 2.94Å; L920-L923 PolarHBondContact O-N 3.36Å; L920-E924 PolarHBondContact O-N 3.34Å
921	D	44.4	Very low	42.5	Very low	106 Å²	106	117.3 Å²	117.3	57%	0.567	59%	0.593	S	S	*	*	H	α-helix	trans	-57.7	-42.6	173.7	-76.3	-9.7	0	0	0	111.6	E917 K918 L923 E924 V925	E917-D921 PolarHBondContact O-N 3.38Å; K918-D921 PolarHBondContact O-N 3.3Å; D921-L923 VanDerWaalsContact C-N 3.27Å; D921-L923 PolarHBondContact O-N 2.59Å; D921-E924 PolarHBondContact O-N 3.38Å; D921-V925 WeakPolarHBondContact O-CG2 3.4Å; D921-V925 PolarHBondContact O-N 3.25Å; D921-V925 VanDerWaalsContact O-N 3.13Å
922	E	44.6	Very low	42.7	Very low	141 Å²	141	119 Å²	119	66%	0.659	61%	0.607	S	S	*	*	H	α-helix	trans	-64.9	-28.9	175.3	-73.5	-176.3	160.7	0	0	112.7	K918 L920 D926	K918-E922 WeakPolarHBondContact O-CB 3.47Å; K918-E922 WeakPolarHBondContact O-CG 3.47Å; K918-E922 PolarHBondContact O-N 3.34Å; L920-E922 VanDerWaalsContact C-N 3.32Å; L920-E922 PolarHBondContact O-N 2.94Å; E922-D926 PolarHBondContact O-N 3.45Å
923	L	42.7	Very low	42.6	Very low	107 Å²	107	123.9 Å²	123.9	56%	0.56	63%	0.626	S	S	*	*	H	α-helix	trans	-82.3	-32.2	176.6	-75.9	173	0	0	0	113.6	T919 L920 D921 L927	T919-L923 VanDerWaalsContact O-CD1 3.27Å; T919-L923 WeakPolarHBondContact O-CD1 3.29Å; T919-L923 VanDerWaalsContact O-CG 3.24Å; T919-L923 WeakPolarHBondContact O-CG 3.28Å; L920-L923 PolarHBondContact O-N 3.36Å; D921-L923 VanDerWaalsContact C-N 3.27Å; D921-L923 PolarHBondContact O-N 2.59Å; L923-L927 WeakPolarHBondContact O-CG 3.46Å; L923-L927 PolarHBondContact O-N 3.04Å
924	E	44.3	Very low	42.5	Very low	131 Å²	131	126.1 Å²	126.1	61%	0.612	64%	0.642	S	S	*	*	H	α-helix	trans	-70.2	-36.6	173.6	-68.1	-161.4	161.3	0	0	111.2	L920 D921 D926 L927 D928	L920-E924 PolarHBondContact O-N 3.34Å; D921-E924 PolarHBondContact O-N 3.38Å; E924-D926 PolarHBondContact O-N 2.98Å; E924-L927 PolarHBondContact O-N 3.37Å; E924-D928 PolarHBondContact O-N 2.83Å; E924-D928 VanDerWaalsContact O-N 3.13Å
925	V	44.9	Very low	42.4	Very low	90 Å²	90	131.6 Å²	131.6	55%	0.545	67%	0.667	S	S	.	*	H	α-helix	trans	-66.9	-33.9	175.8	172.8	0	0	0	0	112.8	D921 N929	D921-V925 WeakPolarHBondContact O-CG2 3.4Å; D921-V925 PolarHBondContact O-N 3.25Å; D921-V925 VanDerWaalsContact O-N 3.13Å; V925-N929 PolarHBondContact O-ND2 2.89Å
926	D	42.7	Very low	41.9	Very low	123 Å²	123	132.6 Å²	132.6	66%	0.658	68%	0.676	S	S	*	*	H	α-helix	trans	-74.6	-23	174.3	-95.1	-1.9	0	0	0	113.1	E922 E924	E922-D926 PolarHBondContact O-N 3.45Å; E924-D926 PolarHBondContact O-N 2.98Å
927	L	43.1	Very low	41.8	Very low	128 Å²	128	132 Å²	132	67%	0.67	69%	0.685	S	S	*	*	H	α-helix	trans	-81.2	-39.5	177.3	-82.2	165.8	0	0	0	113.2	L923 E924 N929	L923-L927 WeakPolarHBondContact O-CG 3.46Å; L923-L927 PolarHBondContact O-N 3.04Å; E924-L927 PolarHBondContact O-N 3.37Å; L927-N929 PolarHBondContact O-N 2.84Å
928	D	40.3	Very low	41.4	Very low	157 Å²	157	130.6 Å²	130.6	84%	0.84	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-8.4	-179.9	-96.9	2.2	0	0	0	113.9	E924	E924-D928 PolarHBondContact O-N 2.83Å; E924-D928 VanDerWaalsContact O-N 3.13Å
929	N	39.9	Very low	41	Very low	120 Å²	120	131.8 Å²	131.8	64%	0.642	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	7	179.6	-80.6	-69.6	0	0	0	115.1	V925 L927 E931	V925-N929 PolarHBondContact O-ND2 2.89Å; L927-N929 PolarHBondContact O-N 2.84Å; N929-E931 PolarHBondContact O-N 2.76Å
930	M	40.9	Very low	40.4	Very low	155 Å²	155	134.5 Å²	134.5	76%	0.764	71%	0.713	S	S	*	*			trans	-78.5	85.3	173.9	-76.3	-161.3	165	0	0	112.4	L932	M930-L932 PolarHBondContact O-N 3.37Å
931	E	37.9	Very low	39.9	Very low	188 Å²	188	136.7 Å²	136.7	88%	0.879	73%	0.726	S	S	*	*			trans	-63.4	127.4	170.1	-70.2	-167.4	130.4	0	0	111.7	N929 D933	N929-E931 PolarHBondContact O-N 2.76Å; E931-D933 PolarHBondContact O-N 3.24Å; E931-D933 VanDerWaalsContact O-N 3.1Å
932	L	45.9	Very low	39.4	Very low	161 Å²	161	138.7 Å²	138.7	84%	0.843	74%	0.736	S	S	*	*	S	Bend	trans	-84.5	65.6	-177.8	-92.6	163.4	0	0	0	112.3	M930	M930-L932 PolarHBondContact O-N 3.37Å
933	D	39.8	Very low	38.8	Very low	153 Å²	153	139.2 Å²	139.2	82%	0.818	74%	0.743	S	S	*	*			trans	-150.1	65.5	174.2	-101	-33.6	0	0	0	112.3	E931	E931-D933 PolarHBondContact O-N 3.24Å; E931-D933 VanDerWaalsContact O-N 3.1Å
934	D	41.9	Very low	38.5	Very low	167 Å²	167	141.5 Å²	141.5	89%	0.893	76%	0.756	S	S	*	*			trans	-174.1	85.5	149.9	-104.7	-19.9	0	0	0	111.1
935	I	38.3	Very low	38	Very low	149 Å²	149	141.4 Å²	141.4	76%	0.764	76%	0.759	S	S	*	*			trans	-122.5	103.9	162.5	-64.5	-178.4	0	0	0	107.8
936	D	33.6	Very low	37.4	Very low	134 Å²	134	145 Å²	145	72%	0.717	77%	0.768	S	S	*	*			trans	-65.6	141	178	-159.6	-8.6	0	0	0	110.8
937	T	39.1	Very low	37.3	Very low	133 Å²	133	145.1 Å²	145.1	82%	0.816	77%	0.768	S	S	*	*			trans	-110.8	32.3	-169.9	42.4	0	0	0	0	112.8
938	T	35.3	Very low	37.4	Very low	99 Å²	99	145.5 Å²	145.5	61%	0.607	77%	0.771	S	S	*	*			trans	-117.3	90.4	177.5	62.6	0	0	0	0	112.7
939	D	33.1	Very low	37.2	Very low	146 Å²	146	149.6 Å²	149.6	78%	0.781	79%	0.792	S	S	*	*			trans	178.9	61.1	134.6	-96	-9	0	0	0	111.5
940	V	33.3	Very low	37.1	Very low	132 Å²	132	151.1 Å²	151.1	80%	0.8	80%	0.8	S	S	*	*			trans	-110.6	82.4	163.2	-176.5	0	0	0	0	108	L942	V940-L942 PolarHBondContact O-N 3.07Å
941	N	31.4	Very low	36.9	Very low	151 Å²	151	150.8 Å²	150.8	81%	0.807	80%	0.802	S	S	*	*			trans	-71.7	110.8	173.3	-91.8	-35.5	0	0	0	110.2
942	L	34.6	Very low	36.8	Very low	148 Å²	148	148.8 Å²	148.8	78%	0.775	80%	0.798	S	S	*	*			trans	-102	119.2	159.3	-81.6	163.7	0	0	0	108.3	V940	V940-L942 PolarHBondContact O-N 3.07Å
943	D	31.4	Very low	36.3	Very low	152 Å²	152	148.1 Å²	148.1	81%	0.813	80%	0.795	S	S	*	*			trans	-155.8	104.8	150.9	-86.4	-35.8	0	0	0	103.2
944	D	36.5	Very low	36	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	79%	0.794	S	S	*	*				56.5	119.7	89.1	-87	-1.4	0	0	0	113.9
945	D	33.9	Very low	35.7	Very low	128 Å²	128	146.5 Å²	146.5	68%	0.684	79%	0.787	S	S	*	*				-171.6	154.2	112.4	-141.9	-18.3	0	0	0	113.6
946	F	32.3	Very low	35.5	Very low	165 Å²	165	146.3 Å²	146.3	72%	0.724	79%	0.789	S	S	*	*			trans	61.5	143.3	169.2	-57.7	-74.7	0	0	0	122.2
947	L	41.1	Very low	35.6	Very low	127 Å²	127	147.2 Å²	147.2	67%	0.665	79%	0.794	S	S	*	*			cis	-170.7	154.2	-38.8	-113.2	-162.6	0	0	0	109
948	D	44.1	Very low	35.3	Very low	135 Å²	135	148.4 Å²	148.4	72%	0.722	79%	0.792	S	S	*	*			trans	48.2	137.5	154.1	-61.9	-24.6	0	0	0	124.3
949	D	36.8	Very low	35.3	Very low	243 Å²	243	152.9 Å²	152.9	100%	1.299	81%	0.809	S	S	*	*			trans	83.9	0	165.8	-71.4	-13.3	0	0	0	120.9

Retrieved 949 of 949 residues in 295.8 ms (Link to these results)

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