A0A077YY73_TRITR Loading...

WD repeat domain-containing protein 83

AlphaFold DB , UniProt , Accession A0A077YY73, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 311 aa.

Structure Viewer

Loading PAE data...

(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	32.7	Very low	45.2	Very low	246 Å²	246	131.6 Å²	131.6	100%	1.212	69%	0.689	S	S	*	*				0	94.9	0	-76.9	175.2	172.2	0	0	108.4
2	S	36.8	Very low	49	Very low	116 Å²	116	130.5 Å²	130.5	81%	0.811	68%	0.675	S	S	*	*			trans	-171.7	50	164	52.9	0	0	0	0	110.2	T4	S2-T4 PolarHBondContact O-N 3.27Å
3	Q	29.2	Very low	52.4	Low	194 Å²	194	126 Å²	126	91%	0.907	65%	0.652	S	S	*	*			trans	-85.6	92.7	156.8	-83.2	-174.2	3.5	0	0	107.2
4	T	35.6	Very low	55.3	Low	108 Å²	108	119.1 Å²	119.1	66%	0.663	62%	0.618	S	S	*	*			trans	-176.2	61.7	150.3	31	0	0	0	0	108	S2 E6	S2-T4 PolarHBondContact O-N 3.27Å; T4-E6 HydrophobicContact CG2-CG 4.12Å
5	K	34.6	Very low	57.9	Low	211 Å²	211	111.4 Å²	111.4	92%	0.917	58%	0.579	S	S	*	*			trans	-90.9	67.8	140.1	-77.6	-170.6	177.4	-176.8	0	105.2	S7	K5-S7 PolarHBondContact O-N 3.39Å
6	E	34.3	Very low	60.3	Low	157 Å²	157	107.6 Å²	107.6	73%	0.734	56%	0.562	S	S	*	*			trans	-48.7	131.6	170.1	-93.1	171.9	147.8	0	0	107.6	T4 A8	T4-E6 HydrophobicContact CG2-CG 4.12Å; E6-A8 VanDerWaalsContact C-N 3.28Å; E6-A8 PolarHBondContact O-N 3.43Å
7	S	36.8	Very low	62.4	Low	104 Å²	104	101.2 Å²	101.2	73%	0.727	53%	0.529	S	S	*	.			trans	-45.5	91.7	171.4	45.9	0	0	0	0	109.7	K5 A9	K5-S7 PolarHBondContact O-N 3.39Å; S7-A9 PolarHBondContact O-N 3.22Å
8	A	45.1	Very low	64.3	Low	63 Å²	63	100.8 Å²	100.8	52%	0.521	53%	0.527	S	S	.	.			trans	-56.1	109.1	168.4	0	0	0	0	0	105.9	E6 R10	E6-A8 VanDerWaalsContact C-N 3.28Å; E6-A8 PolarHBondContact O-N 3.43Å; A8-R10 VanDerWaalsContact C-N 3.33Å; A8-R10 PolarHBondContact O-N 2.93Å
9	A	51.8	Low	65.9	Low	29 Å²	29	95.5 Å²	95.5	24%	0.24	50%	0.5	C	S	.	.			trans	-39.5	95.4	174.8	0	0	0	0	0	109.6	S7 M11 N305	S7-A9 PolarHBondContact O-N 3.22Å; A9-M11 VanDerWaalsContact C-N 3.33Å; A9-M11 PolarHBondContact O-N 2.89Å; A9-N305 VanDerWaalsContact CB-CG 3.48Å; A9-N305 WeakPolarHBondContact CB-ND2 3.13Å
10	R	72.8	Confident	67.4	Low	200 Å²	200	98.6 Å²	98.6	76%	0.755	51%	0.509	S	S	*	.			trans	-78	95.1	178.1	-88.2	-174.2	173.9	177.5	-1.6	105.7	A8 K12	A8-R10 VanDerWaalsContact C-N 3.33Å; A8-R10 PolarHBondContact O-N 2.93Å; R10-K12 PolarHBondContact O-N 3.36Å
11	M	87.3	Confident	68.6	Low	20 Å²	20	93.9 Å²	93.9	10%	0.099	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	131.1	168	-73.2	-151.3	-62.9	0	0	109.4	A9 F243 L272 V292 W303 K304	A9-M11 VanDerWaalsContact C-N 3.33Å; A9-M11 PolarHBondContact O-N 2.89Å; M11-F243 HydrophobicContact CE-CE1 4.27Å; M11-F243 HydrophobicContact CE-CZ 3.6Å; M11-F243 HydrophobicContact SD-CE1 4.17Å; M11-F243 HydrophobicContact SD-CZ 4.09Å; M11-L272 HydrophobicContact CB-CD2 3.8Å; M11-L272 HydrophobicContact CE-CD1 3.46Å; M11-L272 VanDerWaalsContact CE-CD1 3.46Å; M11-L272 HydrophobicContact CE-CD2 4.01Å; M11-L272 HydrophobicContact CE-CG 4.26Å; M11-V292 HydrophobicContact CE-CB 4.26Å; M11-V292 HydrophobicContact CE-CG2 3.81Å; M11-V292 HydrophobicContact SD-CG2 4.07Å; M11-W303 HydrophobicContact CB-CB 4.42Å; M11-W303 HydrophobicContact CE-CB 4.34Å; M11-W303 HydrophobicContact SD-CB 4.26Å; M11-K304 CarbonylContact C-O 3.56Å; M11-K304 VanDerWaalsContact CA-O 3.25Å; M11-K304 WeakPolarHBondContact CA-O 3.25Å
12	K	91.4	Very high	71.6	Confident	118 Å²	118	88 Å²	88	51%	0.513	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.2	179.2	-68.5	179.7	-177.5	173.6	0	109.5	R10 V14 W303 K304 A306	R10-K12 PolarHBondContact O-N 3.36Å; K12-V14 PolarHBondContact O-N 2.77Å; K12-W303 VanDerWaalsContact O-CA 3.31Å; K12-W303 WeakPolarHBondContact O-CA 3.07Å; K12-K304 PolarHBondContact N-O 2.86Å; K12-K304 PolarHBondContact O-N 2.75Å; K12-A306 HydrophobicContact CD-CB 3.99Å; K12-A306 HydrophobicContact CG-CB 4.4Å
13	L	93.1	Very high	74.4	Confident	72 Å²	72	84.2 Å²	84.2	38%	0.377	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	121.2	169.3	-179.1	61.3	0	0	0	108.9	A15 Y301 W303	L13-A15 WeakPolarHBondContact CD1-O 3.49Å; L13-Y301 HydrophobicContact CD1-CD1 3.83Å; L13-Y301 HydrophobicContact CD1-CG 4.33Å; L13-Y301 HydrophobicContact CD2-CD1 4.21Å; L13-W303 HydrophobicContact CB-CE3 3.89Å; L13-W303 HydrophobicContact CB-CH2 4.12Å; L13-W303 HydrophobicContact CB-CZ3 3.62Å; L13-W303 HydrophobicContact CD1-CD2 4.37Å; L13-W303 HydrophobicContact CD1-CE3 4.43Å; L13-W303 HydrophobicContact CD1-CH2 4.3Å; L13-W303 HydrophobicContact CD1-CZ2 4.23Å; L13-W303 HydrophobicContact CD1-CZ3 4.41Å
14	V	93.2	Very high	77.7	Confident	30 Å²	30	75 Å²	75	18%	0.182	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-38.6	-178.5	-178.1	0	0	0	0	111.6	K12 L302 K304 L309	K12-V14 PolarHBondContact O-N 2.77Å; V14-L302 PolarHBondContact N-O 3.31Å; V14-K304 HydrophobicContact CG2-CB 3.76Å; V14-K304 HydrophobicContact CG2-CD 4.21Å; V14-K304 HydrophobicContact CG2-CG 3.92Å; V14-L309 HydrophobicContact CG1-CD2 3.98Å; V14-L309 HydrophobicContact CG2-CD1 4.1Å; V14-L309 HydrophobicContact CG2-CD2 3.85Å; V14-L309 HydrophobicContact CG2-CG 4.43Å
15	A	94.5	Very high	80.6	Confident	3 Å²	3	75.1 Å²	75.1	3%	0.025	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.9	-179.2	0	0	0	0	0	112.6	L13 L17 N54 L302	L13-A15 WeakPolarHBondContact CD1-O 3.49Å; A15-L17 HydrophobicContact CB-CD1 4.22Å; A15-N54 WeakPolarHBondContact CA-O 3.29Å; A15-N54 WeakPolarHBondContact CB-O 3.45Å; A15-L302 HydrophobicContact CB-CB 3.92Å; A15-L302 HydrophobicContact CB-CD2 4Å; A15-L302 PolarHBondContact N-O 2.94Å; A15-L302 PolarHBondContact O-N 3.47Å
16	T	96.2	Very high	83.6	Confident	50 Å²	50	65.2 Å²	65.2	31%	0.307	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	113.5	171.3	-58.1	0	0	0	0	109.6	N54 C55 N299 V300 Y301	T16-N54 PolarHBondContact N-O 3.45Å; T16-N54 VanDerWaalsContact N-O 3.13Å; T16-C55 WeakPolarHBondContact O-CA 3.4Å; T16-N299 HydrophobicContact CG2-CB 4.31Å; T16-V300 CarbonylContact C-O 3.54Å; T16-V300 WeakPolarHBondContact CA-O 3.49Å; T16-Y301 HydrophobicContact CG2-CD1 3.96Å; T16-Y301 HydrophobicContact CG2-CE1 3.64Å
17	L	96.3	Very high	86.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	112.7	178	-73.8	65	0	0	0	108.6	A15 C19 W48 P50 C55 N299 V300	A15-L17 HydrophobicContact CB-CD1 4.22Å; L17-C19 PolarHBondContact O-N 2.87Å; L17-W48 HydrophobicContact CD2-CB 3.91Å; L17-W48 HydrophobicContact CD2-CD2 4.03Å; L17-W48 HydrophobicContact CD2-CE3 4.18Å; L17-W48 HydrophobicContact CD2-CG 3.9Å; L17-W48 HydrophobicContact CG-CE3 4.5Å; L17-P50 HydrophobicContact CD1-CB 4.49Å; L17-P50 HydrophobicContact CD2-CB 4.29Å; L17-C55 WeakPolarHBondContact CA-O 3.3Å; L17-C55 WeakPolarHBondContact CG-O 3.5Å; L17-N299 VanDerWaalsContact O-CA 3.3Å; L17-N299 WeakPolarHBondContact O-CA 3.3Å; L17-V300 HydrophobicContact CB-CB 4.13Å; L17-V300 PolarHBondContact N-O 2.85Å; L17-V300 PolarHBondContact O-N 3.31Å
18	N	95.7	Very high	89.6	Confident	93 Å²	93	53.4 Å²	53.4	50%	0.497	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	93.8	170.2	-176.8	-9.8	0	0	0	109.2	K20	N18-K20 VanDerWaalsContact C-N 3.29Å; N18-K20 PolarHBondContact O-N 2.84Å; N18-K20 WeakPolarHBondContact OD1-CG 3.44Å; N18-K20 PolarHBondContact OD1-N 3.41Å
19	C	95.6	Very high	92.1	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.007	25%	0.248	C	C	.	.			trans	-71.9	-24.6	-170.6	-59.4	0	0	0	0	112.9	L17 Q21 V24 K46 W48 G298	L17-C19 PolarHBondContact O-N 2.87Å; C19-Q21 VanDerWaalsContact C-N 3.29Å; C19-Q21 HydrophobicContact CB-CB 4.47Å; C19-Q21 HydrophobicContact CB-CG 4.12Å; C19-Q21 WeakPolarHBondContact O-CG 3.4Å; C19-Q21 PolarHBondContact O-N 2.85Å; C19-V24 HydrophobicContact CB-CG2 3.74Å; C19-K46 PolarHBondContact O-NZ 3.15Å; C19-W48 HydrophobicContact CB-CZ2 4.09Å; C19-G298 WeakPolarHBondContact CB-O 3.42Å; C19-G298 PolarHBondContact N-O 2.84Å; C19-G298 VanDerWaalsContact N-O 3.16Å
20	K	94.3	Very high	94.2	Very high	157 Å²	157	50.4 Å²	50.4	68%	0.683	24%	0.24	S	C	*	.			trans	50.9	47.2	-173.4	-56.2	179.8	-179.8	177.9	0	112.1	N18 K46	N18-K20 VanDerWaalsContact C-N 3.29Å; N18-K20 PolarHBondContact O-N 2.84Å; N18-K20 WeakPolarHBondContact OD1-CG 3.44Å; N18-K20 PolarHBondContact OD1-N 3.41Å; K20-K46 PolarHBondContact O-NZ 2.8Å
21	Q	93.9	Very high	95.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-117.7	27	-179.1	-64.5	-177.3	-89.2	0	0	113.1	C19 A23 V24 T38 G41 D42 T44 K46	C19-Q21 VanDerWaalsContact C-N 3.29Å; C19-Q21 HydrophobicContact CB-CB 4.47Å; C19-Q21 HydrophobicContact CB-CG 4.12Å; C19-Q21 WeakPolarHBondContact O-CG 3.4Å; C19-Q21 PolarHBondContact O-N 2.85Å; Q21-A23 PolarHBondContact O-N 3.23Å; Q21-V24 HydrophobicContact CB-CG2 4.47Å; Q21-T38 PolarHBondContact NE2-O 3.32Å; Q21-T38 VanDerWaalsContact NE2-O 3.16Å; Q21-T38 PolarHBondContact OE1-O 2.89Å; Q21-T38 PolarHBondContact OE1-OG1 3.37Å; Q21-G41 PolarHBondContact O-N 3.16Å; Q21-D42 VanDerWaalsContact CA-CG 3.45Å; Q21-D42 HydrophobicContact CB-CB 4.37Å; Q21-D42 WeakPolarHBondContact CB-OD1 3.32Å; Q21-D42 WeakPolarHBondContact CG-OD1 3.18Å; Q21-D42 WeakPolarHBondContact CG-OD2 3.41Å; Q21-D42 PolarHBondContact O-N 2.94Å; Q21-D42 VanDerWaalsContact O-N 3.17Å; Q21-T44 PolarHBondContact NE2-O 2.82Å; Q21-T44 PolarHBondContact NE2-OG1 3.39Å; Q21-T44 VanDerWaalsContact NE2-OG1 3.14Å; Q21-K46 HydrophobicContact CG-CD 3.78Å; Q21-K46 HydrophobicContact CG-CG 4.42Å
22	N	95.1	Very high	95.5	Very high	122 Å²	122	45.2 Å²	45.2	65%	0.652	23%	0.232	S	C	*	.	S	Bend	trans	55.7	-114.9	-164.2	-60.2	-26.3	0	0	0	110.6	G298	N22-G298 WeakPolarHBondContact O-CA 3.36Å; N22-G298 PolarHBondContact O-N 3.29Å
23	A	95.7	Very high	95.6	Very high	36 Å²	36	39.6 Å²	39.6	30%	0.298	21%	0.207	S	C	.	.	S	Bend	trans	-85.8	123.2	168.9	0	0	0	0	0	109.8	Q21 R25 G40 G41 R297	Q21-A23 PolarHBondContact O-N 3.23Å; A23-R25 PolarHBondContact O-N 3.27Å; A23-G40 CarbonylContact O-C 3.59Å; A23-G40 WeakPolarHBondContact O-CA 3.39Å; A23-G41 PolarHBondContact O-N 3.3Å; A23-R297 CarbonylContact C-O 3.57Å; A23-R297 WeakPolarHBondContact CA-O 3.21Å
24	V	97.6	Very high	95.7	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	116.5	166.6	-180	0	0	0	0	107.3	C19 Q21 S39 A295 R297 V300	C19-V24 HydrophobicContact CB-CG2 3.74Å; Q21-V24 HydrophobicContact CB-CG2 4.47Å; V24-S39 CarbonylContact C-O 3.58Å; V24-S39 WeakPolarHBondContact CA-O 3.29Å; V24-A295 HydrophobicContact CB-CB 4.16Å; V24-A295 HydrophobicContact CG1-CB 3.74Å; V24-R297 PolarHBondContact N-O 3.43Å; V24-V300 HydrophobicContact CG1-CG2 3.95Å
25	R	97.7	Very high	95.9	Very high	109 Å²	109	43.5 Å²	43.5	41%	0.411	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-40.4	-176.7	-67	-61.2	-173.8	164.7	11.5	112.6	A23 S39 E68 L70	A23-R25 PolarHBondContact O-N 3.27Å; R25-S39 PolarHBondContact N-O 2.71Å; R25-E68 HydrophobicContact CG-CG 4.07Å; R25-E68 WeakPolarHBondContact CG-OE1 3.4Å; R25-E68 IonicContact CZ-OE1 3.81Å; R25-E68 IonicContact CZ-OE2 3.75Å; R25-E68 IonicContact NE-OE1 3.14Å; R25-E68 PolarHBondContact NE-OE1 2.95Å; R25-E68 IonicContact NE-OE2 3.65Å; R25-E68 PolarHBondContact NE-OE2 3.28Å; R25-E68 IonicContact NH2-OE1 2.97Å; R25-E68 PolarHBondContact NH2-OE1 2.93Å; R25-E68 IonicContact NH2-OE2 3.18Å; R25-E68 PolarHBondContact NH2-OE2 2.82Å; R25-L70 HydrophobicContact CG-CD2 4.19Å
26	A	98.1	Very high	96.1	Very high	3 Å²	3	43.3 Å²	43.3	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	144.2	172.9	0	0	0	0	0	111.8	T38 S39 D71	A26-T38 WeakPolarHBondContact O-CA 3.2Å; A26-S39 WeakPolarHBondContact CB-OG 3.37Å; A26-S39 PolarHBondContact N-O 2.99Å; A26-S39 PolarHBondContact N-OG 3.14Å; A26-S39 PolarHBondContact O-N 3.46Å; A26-S39 PolarHBondContact O-OG 3.14Å; A26-D71 HydrophobicContact CB-CB 4.44Å; A26-D71 WeakPolarHBondContact CB-OD1 3.36Å
27	V	98.4	Very high	96.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.9	166	60.9	0	0	0	0	109.2	L37 T38 S282 S284 L293 A295 V300	V27-L37 VanDerWaalsContact CA-O 3.3Å; V27-L37 WeakPolarHBondContact CA-O 3.42Å; V27-T38 HydrophobicContact CB-CG2 4.46Å; V27-T38 HydrophobicContact CG2-CG2 4.11Å; V27-S282 PolarHBondContact N-OG 2.59Å; V27-S282 VanDerWaalsContact N-OG 3.14Å; V27-S282 PolarHBondContact O-OG 3.04Å; V27-S284 WeakPolarHBondContact O-CB 3.47Å; V27-L293 HydrophobicContact CG1-CB 4.16Å; V27-L293 HydrophobicContact CG2-CB 3.86Å; V27-L293 HydrophobicContact CG2-CD1 3.8Å; V27-L293 HydrophobicContact CG2-CG 4.35Å; V27-A295 HydrophobicContact CB-CB 4.33Å; V27-A295 HydrophobicContact CG1-CB 3.9Å; V27-V300 HydrophobicContact CB-CG2 4.06Å; V27-V300 HydrophobicContact CG2-CG1 3.86Å; V27-V300 HydrophobicContact CG2-CG2 4.1Å
28	R	98.1	Very high	96.3	Very high	14 Å²	14	41.2 Å²	41.2	5%	0.053	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	127	-177.7	-56.4	-67.9	176	-135.7	6	110.6	C36 L37 D71 A72 D239 S282 I283	R28-C36 CarbonylContact O-C 3.53Å; R28-C36 WeakPolarHBondContact O-CA 3.31Å; R28-C36 WeakPolarHBondContact O-CB 3.28Å; R28-L37 PolarHBondContact N-O 2.86Å; R28-L37 PolarHBondContact O-N 2.92Å; R28-D71 IonicContact CZ-OD1 3.28Å; R28-D71 IonicContact NE-OD1 2.7Å; R28-D71 PolarHBondContact NE-OD1 3.41Å; R28-D71 VanDerWaalsContact NE-OD1 3.14Å; R28-D71 IonicContact NH2-OD1 3.46Å; R28-D71 IonicContact NH2-OD2 3.58Å; R28-A72 WeakPolarHBondContact CG-O 3.27Å; R28-D239 IonicContact CZ-OD2 3.54Å; R28-D239 VanDerWaalsContact CZ-OD2 3.28Å; R28-D239 IonicContact NH1-OD2 3.97Å; R28-D239 PolarHBondContact NH1-OD2 3.25Å; R28-D239 IonicContact NH2-OD1 2.84Å; R28-D239 IonicContact NH2-OD2 2.73Å; R28-D239 PolarHBondContact NH2-OD2 2.87Å; R28-S282 PolarHBondContact NH1-OG 3.43Å; R28-S282 VanDerWaalsContact NH1-OG 3.13Å; R28-I283 PolarHBondContact NH1-O 2.87Å; R28-I283 VanDerWaalsContact NH1-O 3.09Å
29	F	98.1	Very high	96.4	Very high	18 Å²	18	36.8 Å²	36.8	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	149.6	162.5	-81.6	-68.4	0	0	0	110.6	G33 Y35 C36 P50 S284 H286 L293 L302	F29-G33 WeakPolarHBondContact CD1-O 3.04Å; F29-G33 VanDerWaalsContact CE1-O 3.24Å; F29-G33 WeakPolarHBondContact CE1-O 3.24Å; F29-Y35 WeakPolarHBondContact CA-O 3.26Å; F29-C36 HydrophobicContact CD1-CB 4.33Å; F29-P50 HydrophobicContact CE1-CG 4.02Å; F29-S284 WeakPolarHBondContact CE2-O 3.25Å; F29-S284 PolarHBondContact N-OG 2.91Å; F29-H286 HydrophobicContact CD2-CB 4.11Å; F29-H286 AromaticContact CE1-CD2 3.82Å; F29-H286 HydrophobicContact CE2-CB 3.74Å; F29-H286 HydrophobicContact CZ-CB 3.99Å; F29-H286 AromaticContact CZ-CD2 3.96Å; F29-L293 HydrophobicContact CD1-CD1 3.8Å; F29-L293 HydrophobicContact CD2-CD1 3.8Å; F29-L293 HydrophobicContact CD2-CG 4.24Å; F29-L293 HydrophobicContact CE1-CD1 3.53Å; F29-L293 HydrophobicContact CE1-CG 4.07Å; F29-L293 HydrophobicContact CE2-CB 4.13Å; F29-L293 HydrophobicContact CE2-CD1 3.52Å; F29-L293 HydrophobicContact CE2-CG 3.53Å; F29-L293 HydrophobicContact CG-CD1 3.94Å; F29-L293 HydrophobicContact CZ-CB 4.49Å; F29-L293 HydrophobicContact CZ-CD1 3.39Å; F29-L293 HydrophobicContact CZ-CD2 4.36Å; F29-L293 HydrophobicContact CZ-CG 3.43Å; F29-L293 VanDerWaalsContact CZ-CG 3.43Å; F29-L302 HydrophobicContact CZ-CD1 4.15Å
30	N	96.2	Very high	96.5	Very high	11 Å²	11	36.8 Å²	36.8	6%	0.059	18%	0.182	C	C	.	.			trans	-75.1	176	166.3	81.7	-51.2	0	0	0	110.7	D32 G33 N34 Y35 S74 N78	N30-D32 PolarHBondContact O-N 3.29Å; N30-D32 VanDerWaalsContact O-N 3.14Å; N30-G33 PolarHBondContact O-N 3.17Å; N30-G33 WeakPolarHBondContact OD1-CA 3.42Å; N30-G33 PolarHBondContact OD1-N 3.44Å; N30-G33 VanDerWaalsContact OD1-N 3.08Å; N30-N34 PolarHBondContact OD1-N 2.87Å; N30-N34 VanDerWaalsContact OD1-N 3.08Å; N30-Y35 PolarHBondContact N-O 3.36Å; N30-Y35 PolarHBondContact OD1-N 3.18Å; N30-Y35 PolarHBondContact OD1-O 2.85Å; N30-S74 WeakPolarHBondContact CA-OG 3.45Å; N30-N78 WeakPolarHBondContact CB-OD1 3.26Å; N30-N78 PolarHBondContact ND2-ND2 2.96Å; N30-N78 PolarHBondContact ND2-OD1 3.26Å
31	A	93.2	Very high	96.6	Very high	33 Å²	33	30.2 Å²	30.2	27%	0.273	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-34.8	-172.6	0	0	0	0	0	113.8	N78 P287	A31-N78 PolarHBondContact N-OD1 3.13Å; A31-P287 WeakPolarHBondContact O-CG 3.31Å
32	D	92.7	Very high	96.8	Very high	77 Å²	77	32.3 Å²	32.3	41%	0.412	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-3.6	-179.2	-44.9	-45.3	0	0	0	113.1	N30 N34 N78	N30-D32 PolarHBondContact O-N 3.29Å; N30-D32 VanDerWaalsContact O-N 3.14Å; D32-N34 PolarHBondContact O-N 3.21Å; D32-N34 VanDerWaalsContact O-N 3.16Å; D32-N78 PolarHBondContact OD2-ND2 2.89Å
33	G	94.8	Very high	96.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	74.9	-6.7	-179.7	0	0	0	0	0	116.6	F29 N30 Y35 H51 H286	F29-G33 WeakPolarHBondContact CD1-O 3.04Å; F29-G33 VanDerWaalsContact CE1-O 3.24Å; F29-G33 WeakPolarHBondContact CE1-O 3.24Å; N30-G33 PolarHBondContact O-N 3.17Å; N30-G33 WeakPolarHBondContact OD1-CA 3.42Å; N30-G33 PolarHBondContact OD1-N 3.44Å; N30-G33 VanDerWaalsContact OD1-N 3.08Å; G33-Y35 VanDerWaalsContact C-N 3.28Å; G33-Y35 PolarHBondContact O-N 3.19Å; G33-H51 PolarHBondContact O-NE2 3.28Å; G33-H286 WeakPolarHBondContact CA-NE2 3.34Å; G33-H286 PolarHBondContact O-CD2 2.96Å; G33-H286 PolarHBondContact O-NE2 3.33Å
34	N	95.1	Very high	97.1	Very high	85 Å²	85	30 Å²	30	46%	0.455	15%	0.149	S	C	.	.	S	Bend	trans	-68.4	-23.6	-179.9	-71	-48.9	0	0	0	114.6	N30 D32	N30-N34 PolarHBondContact OD1-N 2.87Å; N30-N34 VanDerWaalsContact OD1-N 3.08Å; D32-N34 PolarHBondContact O-N 3.21Å; D32-N34 VanDerWaalsContact O-N 3.16Å
35	Y	97.3	Very high	97.1	Very high	99 Å²	99	29.9 Å²	29.9	39%	0.388	15%	0.149	S	C	.	.			trans	-130.8	160.5	-179	-57	-74.2	0	0	0	110.6	F29 N30 G33 L47 W48 N49 L59	F29-Y35 WeakPolarHBondContact CA-O 3.26Å; N30-Y35 PolarHBondContact N-O 3.36Å; N30-Y35 PolarHBondContact OD1-N 3.18Å; N30-Y35 PolarHBondContact OD1-O 2.85Å; G33-Y35 VanDerWaalsContact C-N 3.28Å; G33-Y35 PolarHBondContact O-N 3.19Å; Y35-L47 HydrophobicContact CG-CD1 4.41Å; Y35-W48 CarbonylContact C-O 3.55Å; Y35-W48 VanDerWaalsContact CA-O 3.27Å; Y35-W48 WeakPolarHBondContact CA-O 3.44Å; Y35-W48 WeakPolarHBondContact CB-O 3.39Å; Y35-N49 HydrophobicContact CD1-CB 4.08Å; Y35-N49 HydrophobicContact CE1-CB 4.18Å; Y35-L59 HydrophobicContact CD1-CD1 3.45Å; Y35-L59 VanDerWaalsContact CD1-CD1 3.45Å; Y35-L59 HydrophobicContact CE1-CD1 3.41Å; Y35-L59 VanDerWaalsContact CE1-CD1 3.41Å
36	C	98	Very high	97.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.7	170.6	69.3	0	0	0	0	112.6	R28 F29 W48 P50 L293	R28-C36 CarbonylContact O-C 3.53Å; R28-C36 WeakPolarHBondContact O-CA 3.31Å; R28-C36 WeakPolarHBondContact O-CB 3.28Å; F29-C36 HydrophobicContact CD1-CB 4.33Å; C36-W48 PolarHBondContact N-O 2.67Å; C36-W48 PolarHBondContact O-N 2.89Å; C36-P50 HydrophobicContact CB-CG 4.36Å; C36-L293 HydrophobicContact CB-CD1 3.37Å
37	L	98.5	Very high	97.1	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.026	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.3	174	-62.5	173.2	0	0	0	109.3	V27 R28 I45 K46 L47 I81	V27-L37 VanDerWaalsContact CA-O 3.3Å; V27-L37 WeakPolarHBondContact CA-O 3.42Å; R28-L37 PolarHBondContact N-O 2.86Å; R28-L37 PolarHBondContact O-N 2.92Å; L37-I45 HydrophobicContact CB-CG2 4.41Å; L37-I45 HydrophobicContact CD2-CG2 4.18Å; L37-K46 CarbonylContact C-O 3.54Å; L37-K46 VanDerWaalsContact CA-O 3.31Å; L37-K46 WeakPolarHBondContact CA-O 3.28Å; L37-L47 HydrophobicContact CD2-CB 4.03Å; L37-L47 HydrophobicContact CD2-CD1 3.8Å; L37-I81 HydrophobicContact CD1-CD1 4.21Å; L37-I81 HydrophobicContact CD1-CG1 3.88Å; L37-I81 HydrophobicContact CD1-CG2 3.94Å; L37-I81 HydrophobicContact CD2-CD1 3.64Å; L37-I81 HydrophobicContact CD2-CG1 4.23Å
38	T	98.5	Very high	97.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	131.5	170.2	61.5	0	0	0	0	109.6	Q21 A26 V27 I45 K46 W48 V300	Q21-T38 PolarHBondContact NE2-O 3.32Å; Q21-T38 VanDerWaalsContact NE2-O 3.16Å; Q21-T38 PolarHBondContact OE1-O 2.89Å; Q21-T38 PolarHBondContact OE1-OG1 3.37Å; A26-T38 WeakPolarHBondContact O-CA 3.2Å; V27-T38 HydrophobicContact CB-CG2 4.46Å; V27-T38 HydrophobicContact CG2-CG2 4.11Å; T38-I45 CarbonylContact O-C 3.6Å; T38-I45 VanDerWaalsContact O-CA 3.27Å; T38-I45 WeakPolarHBondContact O-CA 3.42Å; T38-K46 PolarHBondContact N-O 3.2Å; T38-K46 PolarHBondContact O-N 2.97Å; T38-W48 PolarHBondContact OG1-NE1 2.62Å; T38-V300 HydrophobicContact CG2-CG2 3.78Å
39	S	98.1	Very high	97.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.007	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.2	175.7	54.5	0	0	0	0	109.3	V24 R25 A26	V24-S39 CarbonylContact C-O 3.58Å; V24-S39 WeakPolarHBondContact CA-O 3.29Å; R25-S39 PolarHBondContact N-O 2.71Å; A26-S39 WeakPolarHBondContact CB-OG 3.37Å; A26-S39 PolarHBondContact N-O 2.99Å; A26-S39 PolarHBondContact N-OG 3.14Å; A26-S39 PolarHBondContact O-N 3.46Å; A26-S39 PolarHBondContact O-OG 3.14Å
40	G	96.9	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	-173.3	-176.7	0	0	0	0	0	116.7	A23 D42 K43 T44 V69	A23-G40 CarbonylContact O-C 3.59Å; A23-G40 WeakPolarHBondContact O-CA 3.39Å; G40-D42 PolarHBondContact O-N 3.28Å; G40-K43 PolarHBondContact O-N 3.35Å; G40-T44 PolarHBondContact N-O 3.37Å; G40-V69 PolarHBondContact N-O 3.23Å; G40-V69 PolarHBondContact O-N 2.87Å
41	G	97.3	Very high	96.8	Very high	19 Å²	19	29.1 Å²	29.1	20%	0.196	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-10.6	-174.8	0	0	0	0	0	115.4	Q21 A23 K43 E68	Q21-G41 PolarHBondContact O-N 3.16Å; A23-G41 PolarHBondContact O-N 3.3Å; G41-K43 PolarHBondContact O-N 3.15Å; G41-E68 WeakPolarHBondContact CA-OE1 3.29Å; G41-E68 PolarHBondContact N-OE1 2.88Å
42	D	97.4	Very high	96.7	Very high	44 Å²	44	34.4 Å²	34.4	24%	0.235	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	6.3	170.5	80	-21.7	0	0	0	113.6	Q21 G40 T44 K46	Q21-D42 VanDerWaalsContact CA-CG 3.45Å; Q21-D42 HydrophobicContact CB-CB 4.37Å; Q21-D42 WeakPolarHBondContact CB-OD1 3.32Å; Q21-D42 WeakPolarHBondContact CG-OD1 3.18Å; Q21-D42 WeakPolarHBondContact CG-OD2 3.41Å; Q21-D42 PolarHBondContact O-N 2.94Å; Q21-D42 VanDerWaalsContact O-N 3.17Å; G40-D42 PolarHBondContact O-N 3.28Å; D42-T44 PolarHBondContact O-N 2.87Å; D42-T44 WeakPolarHBondContact OD1-CB 3.31Å; D42-T44 PolarHBondContact OD1-N 3.46Å; D42-T44 VanDerWaalsContact OD1-N 3.07Å; D42-T44 PolarHBondContact OD1-OG1 2.88Å; D42-T44 PolarHBondContact OD2-OG1 3.13Å; D42-K46 IonicContact OD2-NZ 2.75Å; D42-K46 PolarHBondContact OD2-NZ 3.4Å
43	K	98	Very high	96.2	Very high	93 Å²	93	36.5 Å²	36.5	40%	0.404	17%	0.174	S	C	.	.	S	Bend	trans	70	15.2	177.8	-39.5	175.8	177.8	-166.4	0	113.7	G40 G41 G66 Y67	G40-K43 PolarHBondContact O-N 3.35Å; G41-K43 PolarHBondContact O-N 3.15Å; K43-G66 WeakPolarHBondContact CD-O 3.42Å; K43-G66 WeakPolarHBondContact CE-O 3.22Å; K43-G66 PolarHBondContact NZ-O 2.88Å; K43-Y67 WeakPolarHBondContact CA-O 3.28Å; K43-Y67 VanDerWaalsContact CB-O 3.28Å; K43-Y67 WeakPolarHBondContact CB-O 3.37Å; K43-Y67 WeakPolarHBondContact CG-O 3.45Å
44	T	98.1	Very high	95.8	Very high	17 Å²	17	42.1 Å²	42.1	10%	0.104	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	162.5	-179	74.7	0	0	0	0	112.3	Q21 G40 D42 K46 T61 Y62	Q21-T44 PolarHBondContact NE2-O 2.82Å; Q21-T44 PolarHBondContact NE2-OG1 3.39Å; Q21-T44 VanDerWaalsContact NE2-OG1 3.14Å; G40-T44 PolarHBondContact N-O 3.37Å; D42-T44 PolarHBondContact O-N 2.87Å; D42-T44 WeakPolarHBondContact OD1-CB 3.31Å; D42-T44 PolarHBondContact OD1-N 3.46Å; D42-T44 VanDerWaalsContact OD1-N 3.07Å; D42-T44 PolarHBondContact OD1-OG1 2.88Å; D42-T44 PolarHBondContact OD2-OG1 3.13Å; T44-K46 WeakPolarHBondContact OG1-CE 3.29Å; T44-T61 HydrophobicContact CG2-CG2 3.98Å; T44-Y62 WeakPolarHBondContact CA-O 3.32Å; T44-Y62 WeakPolarHBondContact CB-O 3.41Å
45	I	98.5	Very high	95.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.9	161.8	-54.5	143.1	0	0	0	106.4	L37 T38 T61 Y62 V69 A72 S83 W93	L37-I45 HydrophobicContact CB-CG2 4.41Å; L37-I45 HydrophobicContact CD2-CG2 4.18Å; T38-I45 CarbonylContact O-C 3.6Å; T38-I45 VanDerWaalsContact O-CA 3.27Å; T38-I45 WeakPolarHBondContact O-CA 3.42Å; I45-T61 CarbonylContact O-C 3.54Å; I45-T61 WeakPolarHBondContact O-CA 3.17Å; I45-Y62 HydrophobicContact CB-CD2 4.24Å; I45-Y62 HydrophobicContact CG2-CD2 4.32Å; I45-Y62 PolarHBondContact N-O 2.99Å; I45-Y62 WeakPolarHBondContact O-CD2 3.1Å; I45-Y62 PolarHBondContact O-N 3.48Å; I45-V69 HydrophobicContact CD1-CG1 4.41Å; I45-V69 HydrophobicContact CG1-CG1 3.93Å; I45-V69 HydrophobicContact CG1-CG2 4.48Å; I45-A72 HydrophobicContact CD1-CB 4.43Å; I45-A72 HydrophobicContact CG1-CB 4.13Å; I45-A72 HydrophobicContact CG2-CB 4.01Å; I45-S83 VanDerWaalsContact CD1-OG 3.3Å; I45-S83 WeakPolarHBondContact CD1-OG 3.35Å; I45-W93 HydrophobicContact CD1-CZ2 4.03Å
46	K	98.4	Very high	95.2	Very high	19 Å²	19	36.9 Å²	36.9	8%	0.083	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.6	176.8	-65.5	-178.9	-173.2	175.6	0	109.9	C19 K20 Q21 L37 T38 D42 T44 W48 L58 K60 T61	C19-K46 PolarHBondContact O-NZ 3.15Å; K20-K46 PolarHBondContact O-NZ 2.8Å; Q21-K46 HydrophobicContact CG-CD 3.78Å; Q21-K46 HydrophobicContact CG-CG 4.42Å; L37-K46 CarbonylContact C-O 3.54Å; L37-K46 VanDerWaalsContact CA-O 3.31Å; L37-K46 WeakPolarHBondContact CA-O 3.28Å; T38-K46 PolarHBondContact N-O 3.2Å; T38-K46 PolarHBondContact O-N 2.97Å; D42-K46 IonicContact OD2-NZ 2.75Å; D42-K46 PolarHBondContact OD2-NZ 3.4Å; T44-K46 WeakPolarHBondContact OG1-CE 3.29Å; K46-W48 HydrophobicContact CB-CZ2 3.94Å; K46-W48 HydrophobicContact CD-CZ2 3.71Å; K46-W48 HydrophobicContact CG-CZ2 4.44Å; K46-L58 HydrophobicContact CB-CD1 3.81Å; K46-L58 HydrophobicContact CD-CD1 4.17Å; K46-L58 HydrophobicContact CG-CD1 4.15Å; K46-K60 CarbonylContact C-O 3.53Å; K46-K60 WeakPolarHBondContact CA-O 3.46Å; K46-T61 HydrophobicContact CG-CG2 4.04Å
47	L	98.4	Very high	95.1	Very high	25 Å²	25	40.4 Å²	40.4	13%	0.131	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.1	174.2	172.8	67.8	0	0	0	108.9	Y35 L37 L59 K60 Y62 V95	Y35-L47 HydrophobicContact CG-CD1 4.41Å; L37-L47 HydrophobicContact CD2-CB 4.03Å; L37-L47 HydrophobicContact CD2-CD1 3.8Å; L47-L59 HydrophobicContact CD2-CB 4.34Å; L47-L59 HydrophobicContact CD2-CD1 4.38Å; L47-L59 HydrophobicContact CG-CB 4.25Å; L47-L59 HydrophobicContact CG-CD1 4.19Å; L47-L59 PolarHBondContact O-N 2.79Å; L47-K60 HydrophobicContact CB-CB 4.35Å; L47-K60 PolarHBondContact N-O 3.31Å; L47-K60 PolarHBondContact O-N 3.13Å; L47-Y62 HydrophobicContact CB-CE2 3.87Å; L47-V95 HydrophobicContact CD2-CG1 4.27Å
48	W	98.2	Very high	95	Very high	13 Å²	13	43.7 Å²	43.7	5%	0.049	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.6	-176.5	-52.9	82.8	0	0	0	110.8	L17 C19 Y35 C36 T38 K46 P50 L57 L58	L17-W48 HydrophobicContact CD2-CB 3.91Å; L17-W48 HydrophobicContact CD2-CD2 4.03Å; L17-W48 HydrophobicContact CD2-CE3 4.18Å; L17-W48 HydrophobicContact CD2-CG 3.9Å; L17-W48 HydrophobicContact CG-CE3 4.5Å; C19-W48 HydrophobicContact CB-CZ2 4.09Å; Y35-W48 CarbonylContact C-O 3.55Å; Y35-W48 VanDerWaalsContact CA-O 3.27Å; Y35-W48 WeakPolarHBondContact CA-O 3.44Å; Y35-W48 WeakPolarHBondContact CB-O 3.39Å; C36-W48 PolarHBondContact N-O 2.67Å; C36-W48 PolarHBondContact O-N 2.89Å; T38-W48 PolarHBondContact OG1-NE1 2.62Å; K46-W48 HydrophobicContact CB-CZ2 3.94Å; K46-W48 HydrophobicContact CD-CZ2 3.71Å; K46-W48 HydrophobicContact CG-CZ2 4.44Å; W48-P50 WeakPolarHBondContact O-CD 3.19Å; W48-L57 CarbonylContact C-O 3.55Å; W48-L57 VanDerWaalsContact CA-O 3.27Å; W48-L57 WeakPolarHBondContact CA-O 3.44Å; W48-L58 HydrophobicContact CD2-CB 4.41Å; W48-L58 HydrophobicContact CD2-CD1 4.02Å; W48-L58 HydrophobicContact CE3-CB 3.75Å; W48-L58 HydrophobicContact CE3-CD1 4.21Å; W48-L58 HydrophobicContact CH2-CB 3.95Å; W48-L58 HydrophobicContact CH2-CD1 3.99Å; W48-L58 HydrophobicContact CH2-CD2 4.36Å; W48-L58 HydrophobicContact CH2-CG 4.32Å; W48-L58 HydrophobicContact CZ2-CD1 3.78Å; W48-L58 HydrophobicContact CZ3-CB 3.51Å; W48-L58 HydrophobicContact CZ3-CD1 4.21Å; W48-L58 HydrophobicContact CZ3-CG 4.33Å
49	N	96.9	Very high	94.9	Very high	23 Å²	23	47.4 Å²	47.4	12%	0.123	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	105	152.1	-176	-39.9	0	0	0	107.7	Y35 H51 R52 G56 L57 L59	Y35-N49 HydrophobicContact CD1-CB 4.08Å; Y35-N49 HydrophobicContact CE1-CB 4.18Å; N49-H51 PolarHBondContact O-N 2.82Å; N49-H51 WeakPolarHBondContact OD1-CB 3.35Å; N49-H51 PolarHBondContact OD1-N 3.27Å; N49-R52 HydrophobicContact CB-CG 4.09Å; N49-R52 PolarHBondContact OD1-N 3.39Å; N49-G56 CarbonylContact O-C 3.52Å; N49-G56 VanDerWaalsContact O-CA 3.23Å; N49-G56 WeakPolarHBondContact O-CA 3.44Å; N49-L57 HydrophobicContact CB-CB 4.34Å; N49-L57 PolarHBondContact N-O 3.24Å; N49-L57 PolarHBondContact O-N 3.42Å; N49-L59 HydrophobicContact CB-CD1 4.24Å
50	P	95.8	Very high	94.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.6	-176.2	29.3	-34.5	0	0	0	113.4	L17 F29 C36 W48 L293 L302	L17-P50 HydrophobicContact CD1-CB 4.49Å; L17-P50 HydrophobicContact CD2-CB 4.29Å; F29-P50 HydrophobicContact CE1-CG 4.02Å; C36-P50 HydrophobicContact CB-CG 4.36Å; W48-P50 WeakPolarHBondContact O-CD 3.19Å; P50-L293 HydrophobicContact CB-CD2 4.2Å; P50-L302 HydrophobicContact CB-CD2 4.46Å; P50-L302 WeakPolarHBondContact O-CD2 3.18Å
51	H	93.4	Very high	95	Very high	58 Å²	58	53.3 Å²	53.3	27%	0.269	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-7.3	-173.5	-56.6	-44.1	0	0	0	114.1	G33 N49 K304	G33-H51 PolarHBondContact O-NE2 3.28Å; N49-H51 PolarHBondContact O-N 2.82Å; N49-H51 WeakPolarHBondContact OD1-CB 3.35Å; N49-H51 PolarHBondContact OD1-N 3.27Å; H51-K304 PolarHBondContact ND1-NZ 2.91Å
52	R	90.5	Very high	95	Very high	145 Å²	145	52.5 Å²	52.5	55%	0.547	27%	0.267	S	S	.	.	S	Bend	trans	-86.9	138.7	178.8	-69.1	-75.6	-174.1	-157.6	-0.3	111.5	N49 N54 G56 L57	N49-R52 HydrophobicContact CB-CG 4.09Å; N49-R52 PolarHBondContact OD1-N 3.39Å; R52-N54 VanDerWaalsContact C-N 3.26Å; R52-N54 PolarHBondContact O-N 3.2Å; R52-G56 WeakPolarHBondContact O-CA 3.47Å; R52-G56 PolarHBondContact O-N 2.82Å; R52-L57 HydrophobicContact CB-CB 3.8Å; R52-L57 HydrophobicContact CG-CB 4.22Å
53	D	82.7	Confident	95	Very high	121 Å²	121	54.6 Å²	54.6	65%	0.647	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	21.5	163.3	-51	-36.4	0	0	0	117.5	C55	D53-C55 PolarHBondContact O-N 2.77Å; D53-C55 PolarHBondContact O-SG 2.89Å; D53-C55 VanDerWaalsContact O-SG 3.37Å
54	N	86.1	Confident	94.9	Very high	118 Å²	118	52.1 Å²	52.1	63%	0.631	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	0.7	-175.9	-61.7	-19.1	0	0	0	115.6	A15 T16 R52	A15-N54 WeakPolarHBondContact CA-O 3.29Å; A15-N54 WeakPolarHBondContact CB-O 3.45Å; T16-N54 PolarHBondContact N-O 3.45Å; T16-N54 VanDerWaalsContact N-O 3.13Å; R52-N54 VanDerWaalsContact C-N 3.26Å; R52-N54 PolarHBondContact O-N 3.2Å
55	C	88.3	Confident	94.8	Very high	65 Å²	65	52 Å²	52	44%	0.439	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-3.9	175.5	62.5	0	0	0	0	112.4	T16 L17 D53	T16-C55 WeakPolarHBondContact O-CA 3.4Å; L17-C55 WeakPolarHBondContact CA-O 3.3Å; L17-C55 WeakPolarHBondContact CG-O 3.5Å; D53-C55 PolarHBondContact O-N 2.77Å; D53-C55 PolarHBondContact O-SG 2.89Å; D53-C55 VanDerWaalsContact O-SG 3.37Å
56	G	90.4	Very high	94.7	Very high	8 Å²	8	53.7 Å²	53.7	8%	0.082	30%	0.302	C	S	.	.			trans	71.2	145.9	-172.1	0	0	0	0	0	112.3	N49 R52	N49-G56 CarbonylContact O-C 3.52Å; N49-G56 VanDerWaalsContact O-CA 3.23Å; N49-G56 WeakPolarHBondContact O-CA 3.44Å; R52-G56 WeakPolarHBondContact O-CA 3.47Å; R52-G56 PolarHBondContact O-N 2.82Å
57	L	96.1	Very high	94.7	Very high	75 Å²	75	59.8 Å²	59.8	39%	0.393	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.7	175.1	178.8	64.5	0	0	0	109.7	W48 N49 R52 L59	W48-L57 CarbonylContact C-O 3.55Å; W48-L57 VanDerWaalsContact CA-O 3.27Å; W48-L57 WeakPolarHBondContact CA-O 3.44Å; N49-L57 HydrophobicContact CB-CB 4.34Å; N49-L57 PolarHBondContact N-O 3.24Å; N49-L57 PolarHBondContact O-N 3.42Å; R52-L57 HydrophobicContact CB-CB 3.8Å; R52-L57 HydrophobicContact CG-CB 4.22Å; L57-L59 HydrophobicContact CD2-CD2 3.76Å; L57-L59 HydrophobicContact CG-CD2 3.97Å; L57-L59 PolarHBondContact O-N 3.27Å
58	L	97.2	Very high	94.7	Very high	74 Å²	74	60.4 Å²	60.4	39%	0.387	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	118.3	169.2	178.9	59.5	0	0	0	109.1	K46 W48	K46-L58 HydrophobicContact CB-CD1 3.81Å; K46-L58 HydrophobicContact CD-CD1 4.17Å; K46-L58 HydrophobicContact CG-CD1 4.15Å; W48-L58 HydrophobicContact CD2-CB 4.41Å; W48-L58 HydrophobicContact CD2-CD1 4.02Å; W48-L58 HydrophobicContact CE3-CB 3.75Å; W48-L58 HydrophobicContact CE3-CD1 4.21Å; W48-L58 HydrophobicContact CH2-CB 3.95Å; W48-L58 HydrophobicContact CH2-CD1 3.99Å; W48-L58 HydrophobicContact CH2-CD2 4.36Å; W48-L58 HydrophobicContact CH2-CG 4.32Å; W48-L58 HydrophobicContact CZ2-CD1 3.78Å; W48-L58 HydrophobicContact CZ3-CB 3.51Å; W48-L58 HydrophobicContact CZ3-CD1 4.21Å; W48-L58 HydrophobicContact CZ3-CG 4.33Å
59	L	96.8	Very high	94.7	Very high	78 Å²	78	59.8 Å²	59.8	41%	0.408	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-43.7	179.9	-61.1	173	0	0	0	111.3	Y35 L47 N49 L57	Y35-L59 HydrophobicContact CD1-CD1 3.45Å; Y35-L59 VanDerWaalsContact CD1-CD1 3.45Å; Y35-L59 HydrophobicContact CE1-CD1 3.41Å; Y35-L59 VanDerWaalsContact CE1-CD1 3.41Å; L47-L59 HydrophobicContact CD2-CB 4.34Å; L47-L59 HydrophobicContact CD2-CD1 4.38Å; L47-L59 HydrophobicContact CG-CB 4.25Å; L47-L59 HydrophobicContact CG-CD1 4.19Å; L47-L59 PolarHBondContact O-N 2.79Å; N49-L59 HydrophobicContact CB-CD1 4.24Å; L57-L59 HydrophobicContact CD2-CD2 3.76Å; L57-L59 HydrophobicContact CG-CD2 3.97Å; L57-L59 PolarHBondContact O-N 3.27Å
60	K	97.5	Very high	94.8	Very high	62 Å²	62	60.1 Å²	60.1	27%	0.27	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	149.4	-175.2	-147.3	166.4	-164.1	-176.1	0	112.9	K46 L47 Y62 V95 E96 T97 G98	K46-K60 CarbonylContact C-O 3.53Å; K46-K60 WeakPolarHBondContact CA-O 3.46Å; L47-K60 HydrophobicContact CB-CB 4.35Å; L47-K60 PolarHBondContact N-O 3.31Å; L47-K60 PolarHBondContact O-N 3.13Å; K60-Y62 HydrophobicContact CB-CE2 4.13Å; K60-Y62 HydrophobicContact CD-CE1 4.23Å; K60-V95 PolarHBondContact NZ-O 3.12Å; K60-E96 PolarHBondContact NZ-O 2.87Å; K60-T97 PolarHBondContact NZ-O 2.83Å; K60-T97 VanDerWaalsContact NZ-O 3.15Å; K60-G98 VanDerWaalsContact NZ-N 3.13Å
61	T	98.1	Very high	94.9	Very high	63 Å²	63	60.2 Å²	60.2	39%	0.387	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.7	171	-58	0	0	0	0	108.9	T44 I45 K46	T44-T61 HydrophobicContact CG2-CG2 3.98Å; I45-T61 CarbonylContact O-C 3.54Å; I45-T61 WeakPolarHBondContact O-CA 3.17Å; K46-T61 HydrophobicContact CG-CG2 4.04Å
62	Y	98.4	Very high	95.2	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.4	176	-51.6	-97.2	0	0	0	108.2	T44 I45 L47 K60 I81 W93 V95	T44-Y62 WeakPolarHBondContact CA-O 3.32Å; T44-Y62 WeakPolarHBondContact CB-O 3.41Å; I45-Y62 HydrophobicContact CB-CD2 4.24Å; I45-Y62 HydrophobicContact CG2-CD2 4.32Å; I45-Y62 PolarHBondContact N-O 2.99Å; I45-Y62 WeakPolarHBondContact O-CD2 3.1Å; I45-Y62 PolarHBondContact O-N 3.48Å; L47-Y62 HydrophobicContact CB-CE2 3.87Å; K60-Y62 HydrophobicContact CB-CE2 4.13Å; K60-Y62 HydrophobicContact CD-CE1 4.23Å; Y62-I81 HydrophobicContact CD2-CD1 4.21Å; Y62-I81 HydrophobicContact CE1-CD1 4.05Å; Y62-I81 HydrophobicContact CE2-CD1 3.62Å; Y62-W93 HydrophobicContact CD1-CB 4.34Å; Y62-W93 HydrophobicContact CD1-CE3 4.21Å; Y62-V95 PolarHBondContact OH-O 2.98Å
63	S	97.1	Very high	95.5	Very high	87 Å²	87	54 Å²	54	61%	0.608	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.5	-178.7	59.4	0	0	0	0	110.1	W93	S63-W93 WeakPolarHBondContact O-CZ3 3.2Å
64	G	95.3	Very high	96.2	Very high	42 Å²	42	49.1 Å²	49.1	43%	0.433	28%	0.277	S	S	.	.			trans	154.4	-14	-178.9	0	0	0	0	0	115.2
65	H	97.6	Very high	96.8	Very high	13 Å²	13	43.5 Å²	43.5	6%	0.06	25%	0.247	C	C	.	.			trans	-65.6	143.2	164.9	-83.1	-75.7	0	0	0	110.9	V69 S83 D87 W93	H65-V69 HydrophobicContact CB-CG2 3.83Å; H65-V69 WeakPolarHBondContact CD2-CG2 3.22Å; H65-S83 PolarHBondContact NE2-OG 3.5Å; H65-D87 WeakPolarHBondContact CA-OD2 3.32Å; H65-D87 IonicContact CE1-OD1 3.58Å; H65-D87 IonicContact CE1-OD2 3.36Å; H65-D87 IonicContact CG-OD2 3.91Å; H65-D87 VanDerWaalsContact ND1-CG 3.32Å; H65-D87 IonicContact ND1-OD1 3.73Å; H65-D87 PolarHBondContact ND1-OD1 2.81Å; H65-D87 VanDerWaalsContact ND1-OD1 3.12Å; H65-D87 IonicContact ND1-OD2 2.92Å; H65-D87 PolarHBondContact ND1-OD2 2.73Å; H65-W93 AromaticContact CD2-CZ2 3.81Å
66	G	96.3	Very high	97.1	Very high	37 Å²	37	44.3 Å²	44.3	38%	0.381	24%	0.244	S	C	.	.	S	Bend	trans	-79.4	-25.5	179.2	0	0	0	0	0	113.4	K43 D87	K43-G66 WeakPolarHBondContact CD-O 3.42Å; K43-G66 WeakPolarHBondContact CE-O 3.22Å; K43-G66 PolarHBondContact NZ-O 2.88Å; G66-D87 PolarHBondContact N-OD2 3.04Å
67	Y	97.8	Very high	97.3	Very high	147 Å²	147	48 Å²	48	58%	0.576	26%	0.263	S	S	*	.	S	Bend	trans	-140.1	-170	-176.4	-64.4	-83.8	0	0	0	110.7	K43 T86 D87	K43-Y67 WeakPolarHBondContact CA-O 3.28Å; K43-Y67 VanDerWaalsContact CB-O 3.28Å; K43-Y67 WeakPolarHBondContact CB-O 3.37Å; K43-Y67 WeakPolarHBondContact CG-O 3.45Å; Y67-T86 WeakPolarHBondContact CB-OG1 3.48Å; Y67-D87 HydrophobicContact CD2-CB 3.71Å; Y67-D87 HydrophobicContact CG-CB 4.39Å
68	E	98	Very high	97.2	Very high	37 Å²	37	46.3 Å²	46.3	17%	0.173	25%	0.254	C	S	.	.			trans	-57.8	134.1	-177.1	173.1	161.3	-125.5	0	0	112.4	R25 G41 L70 G85 T86	R25-E68 HydrophobicContact CG-CG 4.07Å; R25-E68 WeakPolarHBondContact CG-OE1 3.4Å; R25-E68 IonicContact CZ-OE1 3.81Å; R25-E68 IonicContact CZ-OE2 3.75Å; R25-E68 IonicContact NE-OE1 3.14Å; R25-E68 PolarHBondContact NE-OE1 2.95Å; R25-E68 IonicContact NE-OE2 3.65Å; R25-E68 PolarHBondContact NE-OE2 3.28Å; R25-E68 IonicContact NH2-OE1 2.97Å; R25-E68 PolarHBondContact NH2-OE1 2.93Å; R25-E68 IonicContact NH2-OE2 3.18Å; R25-E68 PolarHBondContact NH2-OE2 2.82Å; G41-E68 WeakPolarHBondContact CA-OE1 3.29Å; G41-E68 PolarHBondContact N-OE1 2.88Å; E68-L70 HydrophobicContact CG-CD2 4.09Å; E68-G85 CarbonylContact O-C 3.5Å; E68-G85 WeakPolarHBondContact O-CA 3.39Å; E68-T86 HydrophobicContact CB-CG2 4.32Å; E68-T86 PolarHBondContact N-OG1 3.06Å; E68-T86 VanDerWaalsContact N-OG1 3.08Å; E68-T86 PolarHBondContact O-N 2.87Å; E68-T86 PolarHBondContact O-OG1 3.28Å; E68-T86 VanDerWaalsContact O-OG1 3.08Å
69	V	98.6	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	122.1	175.8	-169	0	0	0	0	108.1	G40 I45 H65 C84	G40-V69 PolarHBondContact N-O 3.23Å; G40-V69 PolarHBondContact O-N 2.87Å; I45-V69 HydrophobicContact CD1-CG1 4.41Å; I45-V69 HydrophobicContact CG1-CG1 3.93Å; I45-V69 HydrophobicContact CG1-CG2 4.48Å; H65-V69 HydrophobicContact CB-CG2 3.83Å; H65-V69 WeakPolarHBondContact CD2-CG2 3.22Å; V69-C84 CarbonylContact C-O 3.58Å; V69-C84 VanDerWaalsContact CG1-O 3.29Å; V69-C84 WeakPolarHBondContact CG1-O 3.49Å
70	L	98.3	Very high	97.2	Very high	31 Å²	31	42.3 Å²	42.3	16%	0.162	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-32.4	-172.8	-65.9	179	0	0	0	112.8	R25 E68 C84 T86 C110 V111	R25-L70 HydrophobicContact CG-CD2 4.19Å; E68-L70 HydrophobicContact CG-CD2 4.09Å; L70-C84 PolarHBondContact N-O 3.14Å; L70-T86 HydrophobicContact CD1-CG2 3.83Å; L70-T86 HydrophobicContact CD2-CG2 4.11Å; L70-T86 HydrophobicContact CG-CG2 4.04Å; L70-C110 HydrophobicContact CD1-CB 4.28Å; L70-V111 WeakPolarHBondContact CD1-O 3.37Å
71	D	98.5	Very high	97.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	154.3	176.4	-155.5	-3.9	0	0	0	110.7	A26 R28 S83 C84 S113 I114	A26-D71 HydrophobicContact CB-CB 4.44Å; A26-D71 WeakPolarHBondContact CB-OD1 3.36Å; R28-D71 IonicContact CZ-OD1 3.28Å; R28-D71 IonicContact NE-OD1 2.7Å; R28-D71 PolarHBondContact NE-OD1 3.41Å; R28-D71 VanDerWaalsContact NE-OD1 3.14Å; R28-D71 IonicContact NH2-OD1 3.46Å; R28-D71 IonicContact NH2-OD2 3.58Å; D71-S83 WeakPolarHBondContact O-CA 3.33Å; D71-C84 PolarHBondContact N-O 3.25Å; D71-C84 PolarHBondContact O-N 3.06Å; D71-S113 PolarHBondContact OD2-OG 2.81Å; D71-I114 HydrophobicContact CB-CG2 4.06Å; D71-I114 PolarHBondContact OD2-N 3.37Å
72	A	98.5	Very high	97.3	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	129.8	175.8	0	0	0	0	0	110.8	R28 I45 I81 A82	R28-A72 WeakPolarHBondContact CG-O 3.27Å; I45-A72 HydrophobicContact CD1-CB 4.43Å; I45-A72 HydrophobicContact CG1-CB 4.13Å; I45-A72 HydrophobicContact CG2-CB 4.01Å; A72-I81 HydrophobicContact CB-CG2 4.36Å; A72-A82 CarbonylContact C-O 3.59Å; A72-A82 VanDerWaalsContact CA-O 3.28Å; A72-A82 WeakPolarHBondContact CA-O 3.39Å
73	R	98.3	Very high	97.3	Very high	70 Å²	70	36.3 Å²	36.3	26%	0.264	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.6	-179	-66.4	-72.5	-169.8	137.1	4.5	110.5	I81 A82 I114 F116	R73-I81 CarbonylContact O-C 3.5Å; R73-I81 WeakPolarHBondContact O-CA 3.29Å; R73-A82 PolarHBondContact N-O 2.9Å; R73-A82 PolarHBondContact O-N 2.97Å; R73-I114 HydrophobicContact CB-CG2 4.41Å; R73-I114 HydrophobicContact CG-CG2 3.96Å; R73-I114 VanDerWaalsContact CG-O 3.23Å; R73-I114 WeakPolarHBondContact CG-O 3.35Å; R73-F116 HydrophobicContact CB-CD2 4.3Å
74	S	97.7	Very high	97.4	Very high	20 Å²	20	32.2 Å²	32.2	14%	0.14	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	151.9	166.8	67.6	0	0	0	0	110.5	N30 Q80 F116	N30-S74 WeakPolarHBondContact CA-OG 3.45Å; S74-Q80 CarbonylContact C-O 3.58Å; S74-Q80 WeakPolarHBondContact CA-O 3.32Å; S74-F116 VanDerWaalsContact O-CD2 3.31Å; S74-F116 WeakPolarHBondContact O-CD2 3.22Å
75	S	97.1	Very high	97.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.			trans	-64.8	162.4	160.7	56.5	0	0	0	0	110.5	D77 N78 A79 Q80	S75-D77 VanDerWaalsContact C-N 3.29Å; S75-D77 VanDerWaalsContact CB-OD1 3.22Å; S75-D77 WeakPolarHBondContact CB-OD1 3.35Å; S75-D77 PolarHBondContact O-N 2.87Å; S75-D77 PolarHBondContact OG-OD1 2.73Å; S75-N78 PolarHBondContact O-N 2.88Å; S75-A79 PolarHBondContact OG-N 3.14Å; S75-Q80 PolarHBondContact N-O 2.86Å; S75-Q80 PolarHBondContact OG-N 2.6Å; S75-Q80 PolarHBondContact OG-O 2.85Å
76	H	94.8	Very high	97.5	Very high	81 Å²	81	31.5 Å²	31.5	38%	0.375	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-23.8	-180	-69.9	-64.4	0	0	0	113.6	N78 N117 K118 S120	H76-N78 VanDerWaalsContact C-N 3.27Å; H76-N117 PolarHBondContact CD2-O 2.73Å; H76-N117 VanDerWaalsContact CD2-O 3.32Å; H76-K118 PolarHBondContact CD2-O 2.88Å; H76-S120 WeakPolarHBondContact CB-OG 3.47Å; H76-S120 PolarHBondContact CD2-OG 2.84Å; H76-S120 PolarHBondContact N-OG 3.24Å
77	D	94.5	Very high	97.6	Very high	87 Å²	87	30.4 Å²	30.4	47%	0.465	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	1.1	170.3	61.8	7.3	0	0	0	112.8	S75 A79 K138	S75-D77 VanDerWaalsContact C-N 3.29Å; S75-D77 VanDerWaalsContact CB-OD1 3.22Å; S75-D77 WeakPolarHBondContact CB-OD1 3.35Å; S75-D77 PolarHBondContact O-N 2.87Å; S75-D77 PolarHBondContact OG-OD1 2.73Å; D77-A79 PolarHBondContact O-N 2.94Å; D77-A79 WeakPolarHBondContact OD1-CB 3.46Å; D77-A79 PolarHBondContact OD1-N 3.45Å; D77-A79 VanDerWaalsContact OD1-N 3.08Å; D77-K138 IonicContact OD2-NZ 3.59Å
78	N	95.6	Very high	97.6	Very high	38 Å²	38	28.2 Å²	28.2	20%	0.203	15%	0.145	C	C	.	.	S	Bend	trans	55	12.3	-174.7	-55.7	-59.8	0	0	0	115.5	N30 A31 D32 S75 H76 V95	N30-N78 WeakPolarHBondContact CB-OD1 3.26Å; N30-N78 PolarHBondContact ND2-ND2 2.96Å; N30-N78 PolarHBondContact ND2-OD1 3.26Å; A31-N78 PolarHBondContact N-OD1 3.13Å; D32-N78 PolarHBondContact OD2-ND2 2.89Å; S75-N78 PolarHBondContact O-N 2.88Å; H76-N78 VanDerWaalsContact C-N 3.27Å; N78-V95 WeakPolarHBondContact O-CG2 3.34Å
79	A	96.4	Very high	97.6	Very high	42 Å²	42	28.3 Å²	28.3	35%	0.347	15%	0.146	S	C	.	.	S	Bend	trans	-81	-25.6	-178.7	0	0	0	0	0	112.4	S75 D77 V95	S75-A79 PolarHBondContact OG-N 3.14Å; D77-A79 PolarHBondContact O-N 2.94Å; D77-A79 WeakPolarHBondContact OD1-CB 3.46Å; D77-A79 PolarHBondContact OD1-N 3.45Å; D77-A79 VanDerWaalsContact OD1-N 3.08Å; A79-V95 WeakPolarHBondContact O-CB 3.29Å; A79-V95 WeakPolarHBondContact O-CG2 3.43Å; A79-V95 PolarHBondContact O-N 2.79Å
80	Q	97.5	Very high	97.6	Very high	27 Å²	27	28.4 Å²	28.4	13%	0.126	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.1	-174.2	-62.3	-179	-14.8	0	0	111.9	S74 S75 L92 W93 L101 F116	S74-Q80 CarbonylContact C-O 3.58Å; S74-Q80 WeakPolarHBondContact CA-O 3.32Å; S75-Q80 PolarHBondContact N-O 2.86Å; S75-Q80 PolarHBondContact OG-N 2.6Å; S75-Q80 PolarHBondContact OG-O 2.85Å; Q80-L92 HydrophobicContact CB-CD1 4.18Å; Q80-W93 VanDerWaalsContact CA-O 3.23Å; Q80-W93 WeakPolarHBondContact CA-O 3.45Å; Q80-L101 HydrophobicContact CG-CD1 4.13Å; Q80-F116 HydrophobicContact CB-CZ 4.36Å
81	I	98.5	Very high	97.6	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.8	167.6	-64	160.7	0	0	0	107.4	L37 Y62 A72 R73 L92 W93 V95	L37-I81 HydrophobicContact CD1-CD1 4.21Å; L37-I81 HydrophobicContact CD1-CG1 3.88Å; L37-I81 HydrophobicContact CD1-CG2 3.94Å; L37-I81 HydrophobicContact CD2-CD1 3.64Å; L37-I81 HydrophobicContact CD2-CG1 4.23Å; Y62-I81 HydrophobicContact CD2-CD1 4.21Å; Y62-I81 HydrophobicContact CE1-CD1 4.05Å; Y62-I81 HydrophobicContact CE2-CD1 3.62Å; A72-I81 HydrophobicContact CB-CG2 4.36Å; R73-I81 CarbonylContact O-C 3.5Å; R73-I81 WeakPolarHBondContact O-CA 3.29Å; I81-L92 CarbonylContact O-C 3.6Å; I81-L92 WeakPolarHBondContact O-CA 3.28Å; I81-W93 HydrophobicContact CB-CB 4.19Å; I81-W93 HydrophobicContact CB-CG 4.48Å; I81-W93 PolarHBondContact N-O 2.7Å; I81-W93 VanDerWaalsContact O-CD1 3.3Å; I81-W93 PolarHBondContact O-N 2.87Å; I81-V95 HydrophobicContact CD1-CG2 3.79Å; I81-V95 HydrophobicContact CG1-CG2 3.64Å
82	A	98.6	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.5	165.6	0	0	0	0	0	108.5	A72 R73 L91 L92 I114 F116 V123	A72-A82 CarbonylContact C-O 3.59Å; A72-A82 VanDerWaalsContact CA-O 3.28Å; A72-A82 WeakPolarHBondContact CA-O 3.39Å; R73-A82 PolarHBondContact N-O 2.9Å; R73-A82 PolarHBondContact O-N 2.97Å; A82-L91 CarbonylContact C-O 3.56Å; A82-L91 WeakPolarHBondContact CA-O 3.44Å; A82-L92 HydrophobicContact CB-CD1 4.17Å; A82-I114 HydrophobicContact CB-CD1 3.61Å; A82-I114 HydrophobicContact CB-CG1 4.21Å; A82-F116 HydrophobicContact CB-CD2 4.26Å; A82-F116 HydrophobicContact CB-CE1 4.45Å; A82-F116 HydrophobicContact CB-CE2 3.43Å; A82-F116 VanDerWaalsContact CB-CE2 3.43Å; A82-F116 HydrophobicContact CB-CZ 3.56Å; A82-V123 HydrophobicContact CB-CG1 3.95Å; A82-V123 HydrophobicContact CB-CG2 3.81Å
83	S	98.7	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.8	179.1	64.9	0	0	0	0	112	I45 H65 D71 V90 L91 W93	I45-S83 VanDerWaalsContact CD1-OG 3.3Å; I45-S83 WeakPolarHBondContact CD1-OG 3.35Å; H65-S83 PolarHBondContact NE2-OG 3.5Å; D71-S83 WeakPolarHBondContact O-CA 3.33Å; S83-V90 CarbonylContact O-C 3.51Å; S83-V90 VanDerWaalsContact O-CA 3.32Å; S83-V90 WeakPolarHBondContact O-CA 3.35Å; S83-L91 PolarHBondContact N-O 3.12Å; S83-L91 PolarHBondContact O-N 2.84Å; S83-W93 PolarHBondContact OG-NE1 2.89Å
84	C	98.6	Very high	97.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	157.4	-178.6	72.2	0	0	0	0	111.5	V69 L70 D71 Q89 V90 V111 I114	V69-C84 CarbonylContact C-O 3.58Å; V69-C84 VanDerWaalsContact CG1-O 3.29Å; V69-C84 WeakPolarHBondContact CG1-O 3.49Å; L70-C84 PolarHBondContact N-O 3.14Å; D71-C84 PolarHBondContact N-O 3.25Å; D71-C84 PolarHBondContact O-N 3.06Å; C84-Q89 WeakPolarHBondContact CA-O 3.36Å; C84-V90 HydrophobicContact CB-CG2 4.21Å; C84-V111 HydrophobicContact CB-CB 3.71Å; C84-V111 HydrophobicContact CB-CG1 3.43Å; C84-V111 VanDerWaalsContact CB-CG1 3.43Å; C84-V111 PolarHBondContact SG-O 3.32Å; C84-I114 HydrophobicContact CB-CB 4.35Å; C84-I114 HydrophobicContact CB-CD1 4.16Å
85	G	98	Very high	97.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	-175.2	-174.2	0	0	0	0	0	115.7	E68 D87 K88 V111	E68-G85 CarbonylContact O-C 3.5Å; E68-G85 WeakPolarHBondContact O-CA 3.39Å; G85-D87 PolarHBondContact O-N 3.19Å; G85-K88 PolarHBondContact O-N 2.98Å; G85-V111 PolarHBondContact O-N 2.93Å
86	T	98.4	Very high	97.5	Very high	40 Å²	40	33.9 Å²	33.9	25%	0.245	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.4	175.5	52	0	0	0	0	112.9	Y67 E68 L70 K88 C110	Y67-T86 WeakPolarHBondContact CB-OG1 3.48Å; E68-T86 HydrophobicContact CB-CG2 4.32Å; E68-T86 PolarHBondContact N-OG1 3.06Å; E68-T86 VanDerWaalsContact N-OG1 3.08Å; E68-T86 PolarHBondContact O-N 2.87Å; E68-T86 PolarHBondContact O-OG1 3.28Å; E68-T86 VanDerWaalsContact O-OG1 3.08Å; L70-T86 HydrophobicContact CD1-CG2 3.83Å; L70-T86 HydrophobicContact CD2-CG2 4.11Å; L70-T86 HydrophobicContact CG-CG2 4.04Å; T86-K88 PolarHBondContact O-N 2.79Å; T86-C110 HydrophobicContact CG2-CB 4.49Å
87	D	97.8	Very high	97.6	Very high	15 Å²	15	33.4 Å²	33.4	8%	0.08	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	10.6	171.7	68	-12.4	0	0	0	113.9	H65 G66 Y67 G85 Q89	H65-D87 WeakPolarHBondContact CA-OD2 3.32Å; H65-D87 IonicContact CE1-OD1 3.58Å; H65-D87 IonicContact CE1-OD2 3.36Å; H65-D87 IonicContact CG-OD2 3.91Å; H65-D87 VanDerWaalsContact ND1-CG 3.32Å; H65-D87 IonicContact ND1-OD1 3.73Å; H65-D87 PolarHBondContact ND1-OD1 2.81Å; H65-D87 VanDerWaalsContact ND1-OD1 3.12Å; H65-D87 IonicContact ND1-OD2 2.92Å; H65-D87 PolarHBondContact ND1-OD2 2.73Å; G66-D87 PolarHBondContact N-OD2 3.04Å; Y67-D87 HydrophobicContact CD2-CB 3.71Å; Y67-D87 HydrophobicContact CG-CB 4.39Å; G85-D87 PolarHBondContact O-N 3.19Å; D87-Q89 PolarHBondContact O-N 2.97Å; D87-Q89 VanDerWaalsContact O-N 3.13Å; D87-Q89 PolarHBondContact O-NE2 3.01Å; D87-Q89 PolarHBondContact OD1-N 2.94Å
88	K	98.2	Very high	97.7	Very high	101 Å²	101	30.3 Å²	30.3	44%	0.439	17%	0.166	S	C	.	.	S	Bend	trans	62.3	17.1	174.2	-42.6	-177.1	178.4	-167.5	0	114	G85 T86 A108 G109	G85-K88 PolarHBondContact O-N 2.98Å; T86-K88 PolarHBondContact O-N 2.79Å; K88-A108 WeakPolarHBondContact CD-O 3.47Å; K88-A108 WeakPolarHBondContact CE-O 3.1Å; K88-A108 PolarHBondContact NZ-O 2.88Å; K88-G109 WeakPolarHBondContact CA-O 3.5Å; K88-G109 WeakPolarHBondContact CB-O 3.26Å; K88-G109 WeakPolarHBondContact CG-O 3.36Å
89	Q	97.1	Very high	97.8	Very high	39 Å²	39	37.3 Å²	37.3	18%	0.182	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	149.2	-173.9	-78.6	171.9	85.6	0	0	110.9	C84 D87 L91 R105	C84-Q89 WeakPolarHBondContact CA-O 3.36Å; D87-Q89 PolarHBondContact O-N 2.97Å; D87-Q89 VanDerWaalsContact O-N 3.13Å; D87-Q89 PolarHBondContact O-NE2 3.01Å; D87-Q89 PolarHBondContact OD1-N 2.94Å; Q89-L91 HydrophobicContact CB-CD2 4.37Å; Q89-R105 HydrophobicContact CG-CG 4.22Å
90	V	98.4	Very high	97.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.3	162.9	177.4	0	0	0	0	107.8	S83 C84 F104 V111 I114 V123	S83-V90 CarbonylContact O-C 3.51Å; S83-V90 VanDerWaalsContact O-CA 3.32Å; S83-V90 WeakPolarHBondContact O-CA 3.35Å; C84-V90 HydrophobicContact CB-CG2 4.21Å; V90-F104 HydrophobicContact CB-CB 4.11Å; V90-F104 HydrophobicContact CB-CD2 4.2Å; V90-F104 HydrophobicContact CG1-CD2 3.94Å; V90-F104 PolarHBondContact N-O 3.12Å; V90-F104 PolarHBondContact O-N 3.43Å; V90-V111 HydrophobicContact CG2-CG1 4.01Å; V90-I114 HydrophobicContact CB-CD1 4.47Å; V90-I114 HydrophobicContact CG1-CD1 3.39Å; V90-I114 HydrophobicContact CG2-CD1 4.36Å; V90-V123 HydrophobicContact CG1-CG1 3.98Å
91	L	98.2	Very high	97.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.5	-179.9	-60.7	-171.3	0	0	0	109.7	A82 S83 Q89 W93 I100 K103	A82-L91 CarbonylContact C-O 3.56Å; A82-L91 WeakPolarHBondContact CA-O 3.44Å; S83-L91 PolarHBondContact N-O 3.12Å; S83-L91 PolarHBondContact O-N 2.84Å; Q89-L91 HydrophobicContact CB-CD2 4.37Å; L91-W93 HydrophobicContact CB-CZ2 3.86Å; L91-W93 HydrophobicContact CD1-CH2 3.98Å; L91-W93 HydrophobicContact CD1-CZ2 3.46Å; L91-W93 VanDerWaalsContact CD1-CZ2 3.46Å; L91-W93 HydrophobicContact CG-CZ2 4.29Å; L91-I100 HydrophobicContact CD1-CD1 4.28Å; L91-K103 HydrophobicContact CD2-CB 3.8Å; L91-K103 HydrophobicContact CD2-CD 4.19Å; L91-K103 HydrophobicContact CD2-CG 3.64Å
92	L	98.1	Very high	97.7	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.5	171.4	-168.3	71.8	0	0	0	108.3	Q80 I81 A82 I100 L101 R102 F104 F116 V123	Q80-L92 HydrophobicContact CB-CD1 4.18Å; I81-L92 CarbonylContact O-C 3.6Å; I81-L92 WeakPolarHBondContact O-CA 3.28Å; A82-L92 HydrophobicContact CB-CD1 4.17Å; L92-I100 CarbonylContact O-C 3.58Å; L92-L101 HydrophobicContact CD2-CB 4.45Å; L92-L101 HydrophobicContact CD2-CD1 4.44Å; L92-L101 HydrophobicContact CG-CD1 4.49Å; L92-L101 PolarHBondContact O-N 2.89Å; L92-R102 HydrophobicContact CB-CB 4.12Å; L92-R102 PolarHBondContact N-O 3.43Å; L92-R102 PolarHBondContact O-N 3.1Å; L92-F104 HydrophobicContact CB-CE2 4.19Å; L92-F116 HydrophobicContact CD1-CE1 4.16Å; L92-F116 HydrophobicContact CD1-CZ 3.76Å; L92-V123 HydrophobicContact CD1-CG2 4.27Å
93	W	98.3	Very high	97.6	Very high	2 Å²	2	47 Å²	47	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.8	-176.1	-45.9	79	0	0	0	110.1	I45 Y62 S63 H65 Q80 I81 S83 L91 R99 I100	I45-W93 HydrophobicContact CD1-CZ2 4.03Å; Y62-W93 HydrophobicContact CD1-CB 4.34Å; Y62-W93 HydrophobicContact CD1-CE3 4.21Å; S63-W93 WeakPolarHBondContact O-CZ3 3.2Å; H65-W93 AromaticContact CD2-CZ2 3.81Å; Q80-W93 VanDerWaalsContact CA-O 3.23Å; Q80-W93 WeakPolarHBondContact CA-O 3.45Å; I81-W93 HydrophobicContact CB-CB 4.19Å; I81-W93 HydrophobicContact CB-CG 4.48Å; I81-W93 PolarHBondContact N-O 2.7Å; I81-W93 VanDerWaalsContact O-CD1 3.3Å; I81-W93 PolarHBondContact O-N 2.87Å; S83-W93 PolarHBondContact OG-NE1 2.89Å; L91-W93 HydrophobicContact CB-CZ2 3.86Å; L91-W93 HydrophobicContact CD1-CH2 3.98Å; L91-W93 HydrophobicContact CD1-CZ2 3.46Å; L91-W93 VanDerWaalsContact CD1-CZ2 3.46Å; L91-W93 HydrophobicContact CG-CZ2 4.29Å; W93-R99 WeakPolarHBondContact CA-O 2.99Å; W93-I100 HydrophobicContact CD2-CG1 4.02Å; W93-I100 HydrophobicContact CE3-CB 4.41Å; W93-I100 HydrophobicContact CE3-CD1 4.39Å; W93-I100 HydrophobicContact CE3-CG1 3.38Å; W93-I100 HydrophobicContact CH2-CD1 3.73Å; W93-I100 HydrophobicContact CH2-CG1 3.59Å; W93-I100 HydrophobicContact CZ2-CD1 4.5Å; W93-I100 HydrophobicContact CZ2-CG1 4.2Å; W93-I100 HydrophobicContact CZ3-CD1 3.68Å; W93-I100 HydrophobicContact CZ3-CG1 3.14Å
94	D	97.8	Very high	97.5	Very high	33 Å²	33	47.1 Å²	47.1	18%	0.176	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.5	164.9	179.4	57.2	0	0	0	109.6	T97 G98 R99 L101	D94-T97 WeakPolarHBondContact CB-OG1 3.48Å; D94-T97 WeakPolarHBondContact OD2-CA 3.39Å; D94-T97 WeakPolarHBondContact OD2-CB 3.35Å; D94-T97 WeakPolarHBondContact OD2-CG2 3.49Å; D94-T97 PolarHBondContact OD2-N 3.38Å; D94-T97 PolarHBondContact OD2-OG1 2.96Å; D94-G98 WeakPolarHBondContact O-CA 3.4Å; D94-G98 PolarHBondContact O-N 3.49Å; D94-R99 PolarHBondContact N-O 3.22Å; D94-L101 HydrophobicContact CB-CD1 3.91Å; D94-L101 HydrophobicContact CB-CD2 3.89Å; D94-L101 HydrophobicContact CB-CG 3.81Å
95	V	97.6	Very high	97.4	Very high	33 Å²	33	55.3 Å²	55.3	20%	0.2	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-47.4	-175.8	171.5	0	0	0	0	110.7	L47 K60 Y62 N78 A79 I81	L47-V95 HydrophobicContact CD2-CG1 4.27Å; K60-V95 PolarHBondContact NZ-O 3.12Å; Y62-V95 PolarHBondContact OH-O 2.98Å; N78-V95 WeakPolarHBondContact O-CG2 3.34Å; A79-V95 WeakPolarHBondContact O-CB 3.29Å; A79-V95 WeakPolarHBondContact O-CG2 3.43Å; A79-V95 PolarHBondContact O-N 2.79Å; I81-V95 HydrophobicContact CD1-CG2 3.79Å; I81-V95 HydrophobicContact CG1-CG2 3.64Å
96	E	96.7	Very high	97.2	Very high	168 Å²	168	57.2 Å²	57.2	79%	0.785	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-50.3	-174	-173.2	-176.7	167.9	0	0	112.1	K60	K60-E96 PolarHBondContact NZ-O 2.87Å
97	T	96.9	Very high	97.2	Very high	72 Å²	72	56 Å²	56	44%	0.442	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-24	-178	67	0	0	0	0	112.8	K60 D94 R99	K60-T97 PolarHBondContact NZ-O 2.83Å; K60-T97 VanDerWaalsContact NZ-O 3.15Å; D94-T97 WeakPolarHBondContact CB-OG1 3.48Å; D94-T97 WeakPolarHBondContact OD2-CA 3.39Å; D94-T97 WeakPolarHBondContact OD2-CB 3.35Å; D94-T97 WeakPolarHBondContact OD2-CG2 3.49Å; D94-T97 PolarHBondContact OD2-N 3.38Å; D94-T97 PolarHBondContact OD2-OG1 2.96Å; T97-R99 PolarHBondContact OG1-N 2.97Å
98	G	96.6	Very high	97.2	Very high	22 Å²	22	58.6 Å²	58.6	23%	0.227	29%	0.294	C	S	.	.			trans	76.2	9.5	-174.9	0	0	0	0	0	114	K60 D94	K60-G98 VanDerWaalsContact NZ-N 3.13Å; D94-G98 WeakPolarHBondContact O-CA 3.4Å; D94-G98 PolarHBondContact O-N 3.49Å
99	R	97.6	Very high	97.2	Very high	185 Å²	185	54.2 Å²	54.2	70%	0.698	28%	0.277	S	S	*	.			trans	-86.4	149.1	-177.8	-64.9	179.3	178.6	-171.9	0.5	110.9	W93 D94 T97 L101	W93-R99 WeakPolarHBondContact CA-O 2.99Å; D94-R99 PolarHBondContact N-O 3.22Å; T97-R99 PolarHBondContact OG1-N 2.97Å; R99-L101 PolarHBondContact O-N 2.88Å
100	I	97.5	Very high	97.2	Very high	52 Å²	52	53.8 Å²	53.8	27%	0.267	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	114.8	168.3	-62.4	163.2	0	0	0	107.7	L91 L92 W93 R102 K103	L91-I100 HydrophobicContact CD1-CD1 4.28Å; L92-I100 CarbonylContact O-C 3.58Å; W93-I100 HydrophobicContact CD2-CG1 4.02Å; W93-I100 HydrophobicContact CE3-CB 4.41Å; W93-I100 HydrophobicContact CE3-CD1 4.39Å; W93-I100 HydrophobicContact CE3-CG1 3.38Å; W93-I100 HydrophobicContact CH2-CD1 3.73Å; W93-I100 HydrophobicContact CH2-CG1 3.59Å; W93-I100 HydrophobicContact CZ2-CD1 4.5Å; W93-I100 HydrophobicContact CZ2-CG1 4.2Å; W93-I100 HydrophobicContact CZ3-CD1 3.68Å; W93-I100 HydrophobicContact CZ3-CG1 3.14Å; I100-R102 VanDerWaalsContact CG2-O 3.29Å; I100-R102 WeakPolarHBondContact CG2-O 3.38Å; I100-K103 HydrophobicContact CG2-CG 3.85Å
101	L	96.3	Very high	97.3	Very high	82 Å²	82	53.8 Å²	53.8	43%	0.429	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-44.9	172.1	-65.7	176.3	0	0	0	110.4	Q80 L92 D94 R99	Q80-L101 HydrophobicContact CG-CD1 4.13Å; L92-L101 HydrophobicContact CD2-CB 4.45Å; L92-L101 HydrophobicContact CD2-CD1 4.44Å; L92-L101 HydrophobicContact CG-CD1 4.49Å; L92-L101 PolarHBondContact O-N 2.89Å; D94-L101 HydrophobicContact CB-CD1 3.91Å; D94-L101 HydrophobicContact CB-CD2 3.89Å; D94-L101 HydrophobicContact CB-CG 3.81Å; R99-L101 PolarHBondContact O-N 2.88Å
102	R	96.1	Very high	97.3	Very high	38 Å²	38	55 Å²	55	14%	0.143	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	152	-176.3	-70.3	-162.3	-94.2	179	-15.3	114	L92 I100 F104 D136 A137 K138 G139	L92-R102 HydrophobicContact CB-CB 4.12Å; L92-R102 PolarHBondContact N-O 3.43Å; L92-R102 PolarHBondContact O-N 3.1Å; I100-R102 VanDerWaalsContact CG2-O 3.29Å; I100-R102 WeakPolarHBondContact CG2-O 3.38Å; R102-F104 HydrophobicContact CB-CE1 4.29Å; R102-F104 HydrophobicContact CB-CE2 4.23Å; R102-F104 HydrophobicContact CB-CZ 3.96Å; R102-D136 PolarHBondContact NH1-O 3.08Å; R102-D136 PolarHBondContact NH2-O 2.9Å; R102-A137 VanDerWaalsContact NH2-CA 3.27Å; R102-A137 PolarHBondContact NH2-O 3.36Å; R102-K138 VanDerWaalsContact NH2-C 3.27Å; R102-G139 PolarHBondContact NH1-O 3.08Å; R102-G139 PolarHBondContact NH2-O 2.68Å
103	K	96.2	Very high	97.3	Very high	100 Å²	100	55 Å²	55	44%	0.435	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	109.3	172	-51.3	-165.3	171.2	-178.6	0	108.4	L91 I100	L91-K103 HydrophobicContact CD2-CB 3.8Å; L91-K103 HydrophobicContact CD2-CD 4.19Å; L91-K103 HydrophobicContact CD2-CG 3.64Å; I100-K103 HydrophobicContact CG2-CG 3.85Å
104	F	97.2	Very high	97.3	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.9	175.1	-57.2	-65	0	0	0	109.1	V90 L92 R102 W135 D136	V90-F104 HydrophobicContact CB-CB 4.11Å; V90-F104 HydrophobicContact CB-CD2 4.2Å; V90-F104 HydrophobicContact CG1-CD2 3.94Å; V90-F104 PolarHBondContact N-O 3.12Å; V90-F104 PolarHBondContact O-N 3.43Å; L92-F104 HydrophobicContact CB-CE2 4.19Å; R102-F104 HydrophobicContact CB-CE1 4.29Å; R102-F104 HydrophobicContact CB-CE2 4.23Å; R102-F104 HydrophobicContact CB-CZ 3.96Å; F104-W135 HydrophobicContact CB-CD2 3.76Å; F104-W135 HydrophobicContact CB-CE3 3.59Å; F104-W135 HydrophobicContact CB-CG 4.34Å; F104-W135 HydrophobicContact CB-CH2 4.21Å; F104-W135 HydrophobicContact CB-CZ2 4.38Å; F104-W135 HydrophobicContact CB-CZ3 3.81Å; F104-W135 HydrophobicContact CD1-CB 4.17Å; F104-W135 HydrophobicContact CD1-CD2 4.23Å; F104-W135 AromaticContact CD1-CE3 3.78Å; F104-W135 HydrophobicContact CD1-CE3 3.78Å; F104-W135 HydrophobicContact CD1-CG 4.42Å; F104-W135 HydrophobicContact CD2-CB 4.14Å; F104-W135 HydrophobicContact CD2-CD2 4.48Å; F104-W135 HydrophobicContact CD2-CG 4.21Å; F104-W135 HydrophobicContact CE1-CB 4.14Å; F104-W135 HydrophobicContact CE2-CB 4.1Å; F104-W135 HydrophobicContact CG-CB 4.16Å; F104-W135 AromaticContact CG-CD2 3.92Å; F104-W135 HydrophobicContact CG-CD2 3.92Å; F104-W135 AromaticContact CG-CE3 3.83Å; F104-W135 HydrophobicContact CG-CE3 3.83Å; F104-W135 HydrophobicContact CG-CG 4.08Å; F104-W135 HydrophobicContact CG-CZ3 4.5Å; F104-W135 HydrophobicContact CZ-CB 4.1Å; F104-D136 WeakPolarHBondContact CZ-O 3.46Å
105	R	95.6	Very high	97.3	Very high	172 Å²	172	53.6 Å²	53.6	65%	0.649	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.2	178.6	-66.1	-179.8	176.6	179.3	-1.8	108	Q89	Q89-R105 HydrophobicContact CG-CG 4.22Å
106	G	94.4	Very high	97.3	Very high	39 Å²	39	52.6 Å²	52.6	40%	0.402	27%	0.271	S	S	.	.			trans	168.1	-25.5	178.5	0	0	0	0	0	113.4	R133	G106-R133 VanDerWaalsContact O-CZ 3.25Å; G106-R133 PolarHBondContact O-NH1 2.91Å; G106-R133 PolarHBondContact O-NH2 3.32Å
107	H	98	Very high	97.2	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.065	24%	0.24	C	C	.	.			trans	-68	135.1	171.8	-75.3	-72.1	0	0	0	112.5	V111 S125 S127 D129 T131 R133 W135	H107-V111 HydrophobicContact CB-CG2 3.74Å; H107-S125 PolarHBondContact NE2-OG 2.86Å; H107-S127 VanDerWaalsContact CE1-CB 3.42Å; H107-S127 WeakPolarHBondContact CE1-CB 3.17Å; H107-S127 WeakPolarHBondContact ND1-CB 3.21Å; H107-S127 PolarHBondContact ND1-OG 3.35Å; H107-D129 VanDerWaalsContact CA-OD2 3.25Å; H107-D129 WeakPolarHBondContact CA-OD2 3.29Å; H107-D129 IonicContact CE1-OD1 3.04Å; H107-D129 IonicContact CG-OD2 2.77Å; H107-D129 IonicContact ND1-OD1 3.67Å; H107-D129 PolarHBondContact ND1-OD1 2.92Å; H107-D129 IonicContact ND1-OD2 3.75Å; H107-D129 PolarHBondContact ND1-OD2 2.92Å; H107-T131 PolarHBondContact CE1-OG1 2.98Å; H107-T131 VanDerWaalsContact CE1-OG1 3.29Å; H107-T131 PolarHBondContact ND1-OG1 2.92Å; H107-R133 PolarHBondContact CE1-NH1 2.76Å; H107-R133 VanDerWaalsContact CG-NH1 3.34Å; H107-R133 PolarHBondContact ND1-NH1 3.1Å; H107-W135 AromaticContact CD2-CZ2 3.87Å; H107-W135 AromaticContact NE2-CZ2 3.97Å
108	A	97.7	Very high	96.9	Very high	71 Å²	71	48.3 Å²	48.3	59%	0.587	25%	0.245	S	C	*	.	S	Bend	trans	-89.2	-13.8	177.1	0	0	0	0	0	112.3	K88 D129	K88-A108 WeakPolarHBondContact CD-O 3.47Å; K88-A108 WeakPolarHBondContact CE-O 3.1Å; K88-A108 PolarHBondContact NZ-O 2.88Å; A108-D129 HydrophobicContact CB-CB 3.97Å; A108-D129 PolarHBondContact N-OD2 2.89Å
109	G	98.3	Very high	96.6	Very high	8 Å²	8	53.4 Å²	53.4	8%	0.082	27%	0.267	C	S	.	.	S	Bend	trans	-129.7	-179.8	-179.2	0	0	0	0	0	113	K88 S127	K88-G109 WeakPolarHBondContact CA-O 3.5Å; K88-G109 WeakPolarHBondContact CB-O 3.26Å; K88-G109 WeakPolarHBondContact CG-O 3.36Å; G109-S127 PolarHBondContact O-OG 2.77Å
110	C	98.3	Very high	96.5	Very high	31 Å²	31	44.7 Å²	44.7	21%	0.209	24%	0.235	C	C	.	.			trans	-56	141.6	174	-60.9	0	0	0	0	110.5	L70 T86 S127 L128	L70-C110 HydrophobicContact CD1-CB 4.28Å; T86-C110 HydrophobicContact CG2-CB 4.49Å; C110-S127 CarbonylContact O-C 3.51Å; C110-S127 VanDerWaalsContact O-CA 3.22Å; C110-S127 WeakPolarHBondContact O-CA 3.37Å; C110-S127 VanDerWaalsContact O-CB 3.29Å; C110-S127 WeakPolarHBondContact O-CB 3.39Å; C110-S127 PolarHBondContact O-OG 3.24Å; C110-L128 HydrophobicContact CB-CB 4.18Å; C110-L128 HydrophobicContact CB-CD2 4.29Å; C110-L128 PolarHBondContact O-N 2.84Å
111	V	98.8	Very high	96.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	110	177	-172.4	0	0	0	0	108.2	L70 C84 G85 V90 H107 G126	L70-V111 WeakPolarHBondContact CD1-O 3.37Å; C84-V111 HydrophobicContact CB-CB 3.71Å; C84-V111 HydrophobicContact CB-CG1 3.43Å; C84-V111 VanDerWaalsContact CB-CG1 3.43Å; C84-V111 PolarHBondContact SG-O 3.32Å; G85-V111 PolarHBondContact O-N 2.93Å; V90-V111 HydrophobicContact CG2-CG1 4.01Å; H107-V111 HydrophobicContact CB-CG2 3.74Å; V111-G126 CarbonylContact C-O 3.47Å; V111-G126 WeakPolarHBondContact CG1-O 3.09Å
112	N	98.3	Very high	96.3	Very high	28 Å²	28	41.7 Å²	41.7	15%	0.15	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-26.6	-164.4	-59.7	-41.1	0	0	0	113.6	G126 L128 S154 V155 K237	N112-G126 PolarHBondContact N-O 2.95Å; N112-L128 PolarHBondContact ND2-N 3.34Å; N112-S154 PolarHBondContact ND2-OG 3.36Å; N112-V155 WeakPolarHBondContact CB-O 3.34Å; N112-V155 PolarHBondContact ND2-O 3.26Å; N112-K237 PolarHBondContact O-NZ 3.33Å
113	S	98.3	Very high	96.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	151	-174.8	-168.3	0	0	0	0	111.3	D71 S125 G126 V158	D71-S113 PolarHBondContact OD2-OG 2.81Å; S113-S125 WeakPolarHBondContact O-CA 3.06Å; S113-G126 PolarHBondContact N-O 3.18Å; S113-G126 PolarHBondContact O-N 2.78Å; S113-V158 PolarHBondContact OG-N 2.91Å; S113-V158 VanDerWaalsContact OG-N 3.12Å
114	I	98.4	Very high	96.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	147.4	-177.5	-162.8	162.6	0	0	0	110.9	D71 R73 A82 C84 V90 V123 V124	D71-I114 HydrophobicContact CB-CG2 4.06Å; D71-I114 PolarHBondContact OD2-N 3.37Å; R73-I114 HydrophobicContact CB-CG2 4.41Å; R73-I114 HydrophobicContact CG-CG2 3.96Å; R73-I114 VanDerWaalsContact CG-O 3.23Å; R73-I114 WeakPolarHBondContact CG-O 3.35Å; A82-I114 HydrophobicContact CB-CD1 3.61Å; A82-I114 HydrophobicContact CB-CG1 4.21Å; C84-I114 HydrophobicContact CB-CB 4.35Å; C84-I114 HydrophobicContact CB-CD1 4.16Å; V90-I114 HydrophobicContact CB-CD1 4.47Å; V90-I114 HydrophobicContact CG1-CD1 3.39Å; V90-I114 HydrophobicContact CG2-CD1 4.36Å; I114-V123 HydrophobicContact CD1-CG1 3.56Å; I114-V123 HydrophobicContact CG1-CG1 3.59Å; I114-V124 CarbonylContact C-O 3.58Å; I114-V124 WeakPolarHBondContact CA-O 3.32Å
115	A	98.2	Very high	96.5	Very high	5 Å²	5	35 Å²	35	4%	0.041	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	151.2	174.8	0	0	0	0	0	110.9	V123 V124 V158 C160	A115-V123 CarbonylContact O-C 3.57Å; A115-V123 WeakPolarHBondContact O-CA 3.37Å; A115-V124 PolarHBondContact N-O 3.43Å; A115-V124 PolarHBondContact O-N 2.68Å; A115-V158 HydrophobicContact CB-CG1 4.37Å; A115-C160 HydrophobicContact CB-CB 4.46Å
116	F	97.3	Very high	96.7	Very high	12 Å²	12	26.9 Å²	26.9	5%	0.053	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	148.3	161.8	-81.4	-83.9	0	0	0	109.3	R73 S74 Q80 A82 L92 V123 A137 C160	R73-F116 HydrophobicContact CB-CD2 4.3Å; S74-F116 VanDerWaalsContact O-CD2 3.31Å; S74-F116 WeakPolarHBondContact O-CD2 3.22Å; Q80-F116 HydrophobicContact CB-CZ 4.36Å; A82-F116 HydrophobicContact CB-CD2 4.26Å; A82-F116 HydrophobicContact CB-CE1 4.45Å; A82-F116 HydrophobicContact CB-CE2 3.43Å; A82-F116 VanDerWaalsContact CB-CE2 3.43Å; A82-F116 HydrophobicContact CB-CZ 3.56Å; L92-F116 HydrophobicContact CD1-CE1 4.16Å; L92-F116 HydrophobicContact CD1-CZ 3.76Å; F116-V123 HydrophobicContact CD1-CG2 3.72Å; F116-V123 HydrophobicContact CE1-CG2 3.38Å; F116-V123 HydrophobicContact CG-CG2 4.47Å; F116-V123 HydrophobicContact CZ-CG2 3.85Å; F116-A137 HydrophobicContact CE1-CB 4.27Å; F116-C160 WeakPolarHBondContact O-CB 3.49Å
117	N	94.7	Very high	96.9	Very high	27 Å²	27	25 Å²	25	14%	0.144	15%	0.146	C	C	.	.			trans	-69.8	166.8	160.4	73.4	-24.8	0	0	0	110.8	H76 D119 S120 S121 V122	H76-N117 PolarHBondContact CD2-O 2.73Å; H76-N117 VanDerWaalsContact CD2-O 3.32Å; N117-D119 VanDerWaalsContact C-N 3.25Å; N117-D119 PolarHBondContact O-N 3.48Å; N117-D119 VanDerWaalsContact O-N 3.14Å; N117-S120 PolarHBondContact O-N 3.47Å; N117-S120 WeakPolarHBondContact OD1-CA 3.39Å; N117-S120 PolarHBondContact OD1-N 3.28Å; N117-S120 VanDerWaalsContact OD1-N 3.1Å; N117-S121 PolarHBondContact ND2-OG 2.88Å; N117-S121 PolarHBondContact OD1-N 3.17Å; N117-V122 HydrophobicContact CB-CB 4.3Å; N117-V122 PolarHBondContact N-O 2.91Å; N117-V122 PolarHBondContact OD1-N 2.86Å; N117-V122 PolarHBondContact OD1-O 2.84Å; N117-V122 VanDerWaalsContact OD1-O 3.12Å
118	K	91.4	Very high	96.9	Very high	124 Å²	124	28.5 Å²	28.5	54%	0.539	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-34.7	-174	-174.6	60.4	178.3	175.3	0	114.6	H76 S120 A162	H76-K118 PolarHBondContact CD2-O 2.88Å; K118-S120 VanDerWaalsContact C-N 3.32Å; K118-A162 HydrophobicContact CB-CB 4.31Å
119	D	91.1	Very high	97	Very high	128 Å²	128	27.1 Å²	27.1	68%	0.684	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	1.4	-179.6	-60	-14.6	0	0	0	112.9	N117 S121	N117-D119 VanDerWaalsContact C-N 3.25Å; N117-D119 PolarHBondContact O-N 3.48Å; N117-D119 VanDerWaalsContact O-N 3.14Å; D119-S121 PolarHBondContact O-N 2.88Å; D119-S121 VanDerWaalsContact O-N 3.12Å
120	S	94.3	Very high	97	Very high	3 Å²	3	27 Å²	27	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	53.3	29.3	-175.8	-50.9	0	0	0	0	114.1	H76 N117 K118 K138	H76-S120 WeakPolarHBondContact CB-OG 3.47Å; H76-S120 PolarHBondContact CD2-OG 2.84Å; H76-S120 PolarHBondContact N-OG 3.24Å; N117-S120 PolarHBondContact O-N 3.47Å; N117-S120 WeakPolarHBondContact OD1-CA 3.39Å; N117-S120 PolarHBondContact OD1-N 3.28Å; N117-S120 VanDerWaalsContact OD1-N 3.1Å; K118-S120 VanDerWaalsContact C-N 3.32Å; S120-K138 WeakPolarHBondContact O-CE 3.35Å
121	S	94.1	Very high	97	Very high	40 Å²	40	26.2 Å²	26.2	28%	0.28	14%	0.14	S	C	.	.	S	Bend	trans	-93.7	-18.9	176.3	60.2	0	0	0	0	112.7	N117 D119 A137	N117-S121 PolarHBondContact ND2-OG 2.88Å; N117-S121 PolarHBondContact OD1-N 3.17Å; D119-S121 PolarHBondContact O-N 2.88Å; D119-S121 VanDerWaalsContact O-N 3.12Å; S121-A137 WeakPolarHBondContact O-CA 3.34Å; S121-A137 WeakPolarHBondContact O-CB 3.31Å; S121-A137 PolarHBondContact O-N 3.26Å
122	V	95.6	Very high	97	Very high	31 Å²	31	26.2 Å²	26.2	19%	0.188	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.1	-179.8	179.4	0	0	0	0	109.4	N117 V124 A134 W135 I145	N117-V122 HydrophobicContact CB-CB 4.3Å; N117-V122 PolarHBondContact N-O 2.91Å; N117-V122 PolarHBondContact OD1-N 2.86Å; N117-V122 PolarHBondContact OD1-O 2.84Å; N117-V122 VanDerWaalsContact OD1-O 3.12Å; V122-V124 HydrophobicContact CG1-CG2 4.14Å; V122-A134 HydrophobicContact CG1-CB 3.86Å; V122-W135 CarbonylContact C-O 3.52Å; V122-W135 VanDerWaalsContact CA-O 3.29Å; V122-W135 WeakPolarHBondContact CA-O 3.28Å; V122-I145 HydrophobicContact CG2-CD1 4.09Å
123	V	97.7	Very high	97	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.4	167.1	172.4	0	0	0	0	108	A82 V90 L92 I114 A115 F116 A134 W135 A137	A82-V123 HydrophobicContact CB-CG1 3.95Å; A82-V123 HydrophobicContact CB-CG2 3.81Å; V90-V123 HydrophobicContact CG1-CG1 3.98Å; L92-V123 HydrophobicContact CD1-CG2 4.27Å; I114-V123 HydrophobicContact CD1-CG1 3.56Å; I114-V123 HydrophobicContact CG1-CG1 3.59Å; A115-V123 CarbonylContact O-C 3.57Å; A115-V123 WeakPolarHBondContact O-CA 3.37Å; F116-V123 HydrophobicContact CD1-CG2 3.72Å; F116-V123 HydrophobicContact CE1-CG2 3.38Å; F116-V123 HydrophobicContact CG-CG2 4.47Å; F116-V123 HydrophobicContact CZ-CG2 3.85Å; V123-A134 CarbonylContact O-C 3.57Å; V123-A134 WeakPolarHBondContact O-CA 3.3Å; V123-W135 HydrophobicContact CB-CB 4.39Å; V123-W135 PolarHBondContact N-O 2.98Å; V123-W135 VanDerWaalsContact O-CD1 3.27Å; V123-W135 PolarHBondContact O-N 3.14Å; V123-A137 HydrophobicContact CG2-CB 4.07Å
124	V	98.4	Very high	96.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.9	175.9	-171	0	0	0	0	109	I114 A115 V122 V132 R133 V158 I165	I114-V124 CarbonylContact C-O 3.58Å; I114-V124 WeakPolarHBondContact CA-O 3.32Å; A115-V124 PolarHBondContact N-O 3.43Å; A115-V124 PolarHBondContact O-N 2.68Å; V122-V124 HydrophobicContact CG1-CG2 4.14Å; V124-V132 HydrophobicContact CG1-CG1 3.46Å; V124-V132 VanDerWaalsContact CG1-CG1 3.46Å; V124-R133 CarbonylContact C-O 3.54Å; V124-R133 WeakPolarHBondContact CA-O 3.39Å; V124-V158 HydrophobicContact CB-CG1 4.14Å; V124-V158 HydrophobicContact CG1-CG1 3.71Å; V124-I165 HydrophobicContact CG1-CD1 4Å; V124-I165 HydrophobicContact CG1-CG2 3.95Å; V124-I165 HydrophobicContact CG2-CD1 3.88Å; V124-I165 HydrophobicContact CG2-CG1 4.28Å
125	S	98.7	Very high	96.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.4	-179.9	58.5	0	0	0	0	112.4	H107 S113 V132 R133 W135	H107-S125 PolarHBondContact NE2-OG 2.86Å; S113-S125 WeakPolarHBondContact O-CA 3.06Å; S125-V132 CarbonylContact O-C 3.55Å; S125-V132 VanDerWaalsContact O-CA 3.24Å; S125-V132 WeakPolarHBondContact O-CA 3.35Å; S125-R133 PolarHBondContact N-O 2.87Å; S125-R133 PolarHBondContact O-N 3.46Å; S125-R133 PolarHBondContact OG-O 3.47Å; S125-W135 PolarHBondContact OG-NE1 3.18Å
126	G	98.7	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.5	174	0	0	0	0	0	111.4	V111 N112 S113	V111-G126 CarbonylContact C-O 3.47Å; V111-G126 WeakPolarHBondContact CG1-O 3.09Å; N112-G126 PolarHBondContact N-O 2.95Å; S113-G126 PolarHBondContact N-O 3.18Å; S113-G126 PolarHBondContact O-N 2.78Å
127	S	98.8	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	159.5	-170.1	176.6	0	0	0	0	114.2	H107 G109 C110 D129 G130 T131 V155	H107-S127 VanDerWaalsContact CE1-CB 3.42Å; H107-S127 WeakPolarHBondContact CE1-CB 3.17Å; H107-S127 WeakPolarHBondContact ND1-CB 3.21Å; H107-S127 PolarHBondContact ND1-OG 3.35Å; G109-S127 PolarHBondContact O-OG 2.77Å; C110-S127 CarbonylContact O-C 3.51Å; C110-S127 VanDerWaalsContact O-CA 3.22Å; C110-S127 WeakPolarHBondContact O-CA 3.37Å; C110-S127 VanDerWaalsContact O-CB 3.29Å; C110-S127 WeakPolarHBondContact O-CB 3.39Å; C110-S127 PolarHBondContact O-OG 3.24Å; S127-D129 WeakPolarHBondContact CB-OD1 3.47Å; S127-D129 PolarHBondContact O-N 2.81Å; S127-D129 PolarHBondContact OG-N 3.31Å; S127-D129 PolarHBondContact OG-OD1 2.58Å; S127-G130 PolarHBondContact O-N 3.42Å; S127-T131 PolarHBondContact N-O 2.76Å; S127-V155 PolarHBondContact O-N 2.74Å
128	L	98.6	Very high	96.5	Very high	88 Å²	88	32.7 Å²	32.7	46%	0.461	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-18.8	166.7	-177.1	60	0	0	0	113.4	C110 N112 G130	C110-L128 HydrophobicContact CB-CB 4.18Å; C110-L128 HydrophobicContact CB-CD2 4.29Å; C110-L128 PolarHBondContact O-N 2.84Å; N112-L128 PolarHBondContact ND2-N 3.34Å; L128-G130 PolarHBondContact O-N 3.28Å
129	D	98.4	Very high	96.3	Very high	41 Å²	41	28 Å²	28	22%	0.219	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	6.5	175.2	70.2	4.3	0	0	0	114.5	H107 A108 S127 T131 R133	H107-D129 VanDerWaalsContact CA-OD2 3.25Å; H107-D129 WeakPolarHBondContact CA-OD2 3.29Å; H107-D129 IonicContact CE1-OD1 3.04Å; H107-D129 IonicContact CG-OD2 2.77Å; H107-D129 IonicContact ND1-OD1 3.67Å; H107-D129 PolarHBondContact ND1-OD1 2.92Å; H107-D129 IonicContact ND1-OD2 3.75Å; H107-D129 PolarHBondContact ND1-OD2 2.92Å; A108-D129 HydrophobicContact CB-CB 3.97Å; A108-D129 PolarHBondContact N-OD2 2.89Å; S127-D129 WeakPolarHBondContact CB-OD1 3.47Å; S127-D129 PolarHBondContact O-N 2.81Å; S127-D129 PolarHBondContact OG-N 3.31Å; S127-D129 PolarHBondContact OG-OD1 2.58Å; D129-T131 VanDerWaalsContact CG-OG1 3.26Å; D129-T131 PolarHBondContact O-N 3.27Å; D129-T131 WeakPolarHBondContact OD1-CB 3.48Å; D129-T131 PolarHBondContact OD1-N 3.38Å; D129-T131 PolarHBondContact OD1-OG1 2.78Å; D129-T131 PolarHBondContact OD2-OG1 3.12Å; D129-R133 IonicContact OD1-NH1 3.96Å; D129-R133 IonicContact OD2-CZ 3.91Å; D129-R133 IonicContact OD2-NH1 2.84Å; D129-R133 PolarHBondContact OD2-NH1 2.84Å
130	G	98.2	Very high	95.9	Very high	6 Å²	6	33.6 Å²	33.6	6%	0.062	17%	0.166	C	C	.	.	S	Bend	trans	76.2	8.2	-179.4	0	0	0	0	0	114.1	S127 L128 A151 D153	S127-G130 PolarHBondContact O-N 3.42Å; L128-G130 PolarHBondContact O-N 3.28Å; G130-A151 WeakPolarHBondContact O-CB 3.23Å; G130-D153 WeakPolarHBondContact CA-O 3.39Å
131	T	98.4	Very high	95.6	Very high	14 Å²	14	35.2 Å²	35.2	9%	0.086	18%	0.184	C	C	.	.			trans	-111.6	147.3	-178.9	71.8	0	0	0	0	112.9	H107 S127 D129 R133 V147 M148 D149	H107-T131 PolarHBondContact CE1-OG1 2.98Å; H107-T131 VanDerWaalsContact CE1-OG1 3.29Å; H107-T131 PolarHBondContact ND1-OG1 2.92Å; S127-T131 PolarHBondContact N-O 2.76Å; D129-T131 VanDerWaalsContact CG-OG1 3.26Å; D129-T131 PolarHBondContact O-N 3.27Å; D129-T131 WeakPolarHBondContact OD1-CB 3.48Å; D129-T131 PolarHBondContact OD1-N 3.38Å; D129-T131 PolarHBondContact OD1-OG1 2.78Å; D129-T131 PolarHBondContact OD2-OG1 3.12Å; T131-R133 PolarHBondContact OG1-NH1 2.86Å; T131-V147 HydrophobicContact CG2-CG1 4.3Å; T131-M148 WeakPolarHBondContact CA-O 3.46Å; T131-D149 HydrophobicContact CG2-CB 4.23Å
132	V	98.6	Very high	95.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.4	163.4	-169.8	0	0	0	0	107.5	V124 S125 M148 V155 V158 I165 T167	V124-V132 HydrophobicContact CG1-CG1 3.46Å; V124-V132 VanDerWaalsContact CG1-CG1 3.46Å; S125-V132 CarbonylContact O-C 3.55Å; S125-V132 VanDerWaalsContact O-CA 3.24Å; S125-V132 WeakPolarHBondContact O-CA 3.35Å; V132-M148 HydrophobicContact CB-CB 4.13Å; V132-M148 HydrophobicContact CB-CE 3.73Å; V132-M148 HydrophobicContact CG1-CE 3.48Å; V132-M148 VanDerWaalsContact CG1-CE 3.48Å; V132-M148 PolarHBondContact N-O 3.02Å; V132-M148 PolarHBondContact O-N 2.87Å; V132-V155 HydrophobicContact CG2-CG1 4.1Å; V132-V155 HydrophobicContact CG2-CG2 3.9Å; V132-V158 HydrophobicContact CG1-CG2 4.47Å; V132-I165 HydrophobicContact CG1-CG2 4.44Å; V132-T167 HydrophobicContact CG1-CG2 4.13Å; V132-T167 HydrophobicContact CG2-CG2 3.73Å
133	R	98.4	Very high	95.3	Very high	34 Å²	34	46.3 Å²	46.3	13%	0.128	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.4	-179.4	-68.7	-169	168	95.3	-1.3	111.3	G106 H107 V124 S125 D129 T131 W135 P144 Q146 V147	G106-R133 VanDerWaalsContact O-CZ 3.25Å; G106-R133 PolarHBondContact O-NH1 2.91Å; G106-R133 PolarHBondContact O-NH2 3.32Å; H107-R133 PolarHBondContact CE1-NH1 2.76Å; H107-R133 VanDerWaalsContact CG-NH1 3.34Å; H107-R133 PolarHBondContact ND1-NH1 3.1Å; V124-R133 CarbonylContact C-O 3.54Å; V124-R133 WeakPolarHBondContact CA-O 3.39Å; S125-R133 PolarHBondContact N-O 2.87Å; S125-R133 PolarHBondContact O-N 3.46Å; S125-R133 PolarHBondContact OG-O 3.47Å; D129-R133 IonicContact OD1-NH1 3.96Å; D129-R133 IonicContact OD2-CZ 3.91Å; D129-R133 IonicContact OD2-NH1 2.84Å; D129-R133 PolarHBondContact OD2-NH1 2.84Å; T131-R133 PolarHBondContact OG1-NH1 2.86Å; R133-W135 HydrophobicContact CB-CH2 4.4Å; R133-W135 HydrophobicContact CB-CZ2 3.56Å; R133-W135 VanDerWaalsContact CD-CZ2 3.46Å; R133-W135 HydrophobicContact CG-CZ2 4.13Å; R133-W135 PolarHBondContact O-NE1 3.36Å; R133-P144 HydrophobicContact CB-CB 4.22Å; R133-P144 HydrophobicContact CG-CB 4.41Å; R133-Q146 WeakPolarHBondContact CA-O 3.4Å; R133-V147 HydrophobicContact CG-CG1 4.23Å; R133-V147 HydrophobicContact CG-CG2 4.18Å
134	A	97.3	Very high	95.2	Very high	6 Å²	6	47.9 Å²	47.9	5%	0.05	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130	172	0	0	0	0	0	109.8	V122 V123 P144 I145 Q146	V122-A134 HydrophobicContact CG1-CB 3.86Å; V123-A134 CarbonylContact O-C 3.57Å; V123-A134 WeakPolarHBondContact O-CA 3.3Å; A134-P144 CarbonylContact O-C 3.53Å; A134-P144 VanDerWaalsContact O-CA 3.3Å; A134-P144 WeakPolarHBondContact O-CA 3.15Å; A134-I145 PolarHBondContact O-N 3.18Å; A134-Q146 HydrophobicContact CB-CB 4.22Å; A134-Q146 PolarHBondContact N-O 2.95Å
135	W	97.4	Very high	95.1	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.3	-176.4	-46.8	92.4	0	0	0	109.8	F104 H107 V122 V123 S125 R133 A137 P144	F104-W135 HydrophobicContact CB-CD2 3.76Å; F104-W135 HydrophobicContact CB-CE3 3.59Å; F104-W135 HydrophobicContact CB-CG 4.34Å; F104-W135 HydrophobicContact CB-CH2 4.21Å; F104-W135 HydrophobicContact CB-CZ2 4.38Å; F104-W135 HydrophobicContact CB-CZ3 3.81Å; F104-W135 HydrophobicContact CD1-CB 4.17Å; F104-W135 HydrophobicContact CD1-CD2 4.23Å; F104-W135 AromaticContact CD1-CE3 3.78Å; F104-W135 HydrophobicContact CD1-CE3 3.78Å; F104-W135 HydrophobicContact CD1-CG 4.42Å; F104-W135 HydrophobicContact CD2-CB 4.14Å; F104-W135 HydrophobicContact CD2-CD2 4.48Å; F104-W135 HydrophobicContact CD2-CG 4.21Å; F104-W135 HydrophobicContact CE1-CB 4.14Å; F104-W135 HydrophobicContact CE2-CB 4.1Å; F104-W135 HydrophobicContact CG-CB 4.16Å; F104-W135 AromaticContact CG-CD2 3.92Å; F104-W135 HydrophobicContact CG-CD2 3.92Å; F104-W135 AromaticContact CG-CE3 3.83Å; F104-W135 HydrophobicContact CG-CE3 3.83Å; F104-W135 HydrophobicContact CG-CG 4.08Å; F104-W135 HydrophobicContact CG-CZ3 4.5Å; F104-W135 HydrophobicContact CZ-CB 4.1Å; H107-W135 AromaticContact CD2-CZ2 3.87Å; H107-W135 AromaticContact NE2-CZ2 3.97Å; V122-W135 CarbonylContact C-O 3.52Å; V122-W135 VanDerWaalsContact CA-O 3.29Å; V122-W135 WeakPolarHBondContact CA-O 3.28Å; V123-W135 HydrophobicContact CB-CB 4.39Å; V123-W135 PolarHBondContact N-O 2.98Å; V123-W135 VanDerWaalsContact O-CD1 3.27Å; V123-W135 PolarHBondContact O-N 3.14Å; S125-W135 PolarHBondContact OG-NE1 3.18Å; R133-W135 HydrophobicContact CB-CH2 4.4Å; R133-W135 HydrophobicContact CB-CZ2 3.56Å; R133-W135 VanDerWaalsContact CD-CZ2 3.46Å; R133-W135 HydrophobicContact CG-CZ2 4.13Å; R133-W135 PolarHBondContact O-NE1 3.36Å; W135-A137 PolarHBondContact O-N 3.37Å; W135-P144 HydrophobicContact CD2-CB 4.37Å; W135-P144 HydrophobicContact CE3-CB 3.92Å; W135-P144 HydrophobicContact CH2-CB 4.18Å; W135-P144 HydrophobicContact CH2-CG 4.39Å; W135-P144 HydrophobicContact CZ3-CB 3.83Å; W135-P144 HydrophobicContact CZ3-CG 4.16Å
136	D	95.7	Very high	94.9	Very high	50 Å²	50	57.3 Å²	57.3	27%	0.267	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	121.2	173.2	-175.7	-13.4	0	0	0	109.5	R102 F104 K138 G139 I145	R102-D136 PolarHBondContact NH1-O 3.08Å; R102-D136 PolarHBondContact NH2-O 2.9Å; F104-D136 WeakPolarHBondContact CZ-O 3.46Å; D136-K138 PolarHBondContact OD1-N 3.24Å; D136-G139 PolarHBondContact OD1-N 3.07Å; D136-G139 WeakPolarHBondContact OD2-CA 3.23Å; D136-G139 PolarHBondContact OD2-N 3.17Å; D136-G139 VanDerWaalsContact OD2-N 3.15Å; D136-I145 HydrophobicContact CB-CD1 3.73Å; D136-I145 HydrophobicContact CB-CG1 3.98Å; D136-I145 VanDerWaalsContact N-CD1 3.34Å
137	A	94.9	Very high	94.8	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.008	30%	0.303	C	S	.	.	S	Bend	trans	-93.9	-5.5	178.4	0	0	0	0	0	113.9	R102 F116 S121 V123 W135	R102-A137 VanDerWaalsContact NH2-CA 3.27Å; R102-A137 PolarHBondContact NH2-O 3.36Å; F116-A137 HydrophobicContact CE1-CB 4.27Å; S121-A137 WeakPolarHBondContact O-CA 3.34Å; S121-A137 WeakPolarHBondContact O-CB 3.31Å; S121-A137 PolarHBondContact O-N 3.26Å; V123-A137 HydrophobicContact CG2-CB 4.07Å; W135-A137 PolarHBondContact O-N 3.37Å
138	K	92	Very high	94.8	Very high	116 Å²	116	60.4 Å²	60.4	50%	0.504	30%	0.304	S	S	.	.	S	Bend	trans	-112.5	-31.5	175.2	-57.9	-62.3	-177	-177.2	0	115.6	D77 R102 S120 D136	D77-K138 IonicContact OD2-NZ 3.59Å; R102-K138 VanDerWaalsContact NH2-C 3.27Å; S120-K138 WeakPolarHBondContact O-CE 3.35Å; D136-K138 PolarHBondContact OD1-N 3.24Å
139	G	86.9	Confident	94.7	Very high	26 Å²	26	61.8 Å²	61.8	27%	0.268	31%	0.312	S	S	.	.	S	Bend	trans	-78.1	-164.1	-178	0	0	0	0	0	115.6	R102 D136	R102-G139 PolarHBondContact NH1-O 3.08Å; R102-G139 PolarHBondContact NH2-O 2.68Å; D136-G139 PolarHBondContact OD1-N 3.07Å; D136-G139 WeakPolarHBondContact OD2-CA 3.23Å; D136-G139 PolarHBondContact OD2-N 3.17Å; D136-G139 VanDerWaalsContact OD2-N 3.15Å
140	R	83.7	Confident	94.7	Very high	245 Å²	245	63.7 Å²	63.7	93%	0.925	32%	0.319	S	S	*	.			trans	-114	3.7	175.8	-65.6	-170.8	-176.7	-95.9	0.9	113.7
141	G	87.9	Confident	94.7	Very high	38 Å²	38	63.9 Å²	63.9	39%	0.392	32%	0.32	S	S	.	.			trans	-61	137.5	176.2	0	0	0	0	0	111.6
142	Q	88.8	Confident	94.7	Very high	143 Å²	143	68.3 Å²	68.3	67%	0.668	35%	0.352	S	S	*	.			trans	-98.7	-22.3	173.4	-64.9	-175.2	6.1	0	0	112.5
143	H	94.2	Very high	94.6	Very high	160 Å²	160	72 Å²	72	74%	0.741	37%	0.371	S	S	*	.	S	Bend	trans	-79.3	149.4	176.8	-58.5	103.8	0	0	0	110.4
144	P	96.4	Very high	94.6	Very high	34 Å²	34	71 Å²	71	22%	0.221	37%	0.37	C	S	.	.			trans	-62	142.3	172.1	28.2	-33.8	0	0	0	109.9	R133 A134 W135 Q146 V147	R133-P144 HydrophobicContact CB-CB 4.22Å; R133-P144 HydrophobicContact CG-CB 4.41Å; A134-P144 CarbonylContact O-C 3.53Å; A134-P144 VanDerWaalsContact O-CA 3.3Å; A134-P144 WeakPolarHBondContact O-CA 3.15Å; W135-P144 HydrophobicContact CD2-CB 4.37Å; W135-P144 HydrophobicContact CE3-CB 3.92Å; W135-P144 HydrophobicContact CH2-CB 4.18Å; W135-P144 HydrophobicContact CH2-CG 4.39Å; W135-P144 HydrophobicContact CZ3-CB 3.83Å; W135-P144 HydrophobicContact CZ3-CG 4.16Å; P144-Q146 VanDerWaalsContact C-N 3.28Å; P144-V147 HydrophobicContact CB-CG2 4.01Å; P144-V147 HydrophobicContact CG-CG2 3.49Å; P144-V147 VanDerWaalsContact CG-CG2 3.49Å
145	I	94.7	Very high	94.7	Very high	106 Å²	106	70.8 Å²	70.8	54%	0.544	37%	0.368	S	S	.	.	S	Bend	trans	-64.5	-41.7	171.3	-57.3	165.3	0	0	0	109.1	V122 A134 D136	V122-I145 HydrophobicContact CG2-CD1 4.09Å; A134-I145 PolarHBondContact O-N 3.18Å; D136-I145 HydrophobicContact CB-CD1 3.73Å; D136-I145 HydrophobicContact CB-CG1 3.98Å; D136-I145 VanDerWaalsContact N-CD1 3.34Å
146	Q	95	Very high	94.7	Very high	93 Å²	93	71.5 Å²	71.5	44%	0.435	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	141.3	-177.4	-171	171	7.7	0	0	109.8	R133 A134 P144 M148	R133-Q146 WeakPolarHBondContact CA-O 3.4Å; A134-Q146 HydrophobicContact CB-CB 4.22Å; A134-Q146 PolarHBondContact N-O 2.95Å; P144-Q146 VanDerWaalsContact C-N 3.28Å; Q146-M148 HydrophobicContact CG-CG 4.41Å
147	V	97.5	Very high	94.9	Very high	62 Å²	62	69.4 Å²	69.4	38%	0.376	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.3	171.5	-174.7	0	0	0	0	106.6	T131 R133 P144	T131-V147 HydrophobicContact CG2-CG1 4.3Å; R133-V147 HydrophobicContact CG-CG1 4.23Å; R133-V147 HydrophobicContact CG-CG2 4.18Å; P144-V147 HydrophobicContact CB-CG2 4.01Å; P144-V147 HydrophobicContact CG-CG2 3.49Å; P144-V147 VanDerWaalsContact CG-CG2 3.49Å
148	M	97.7	Very high	95	Very high	3 Å²	3	69.4 Å²	69.4	2%	0.015	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.6	173.2	-66.3	161	-77.6	0	0	106	T131 V132 Q146 E150 I165 Y177	T131-M148 WeakPolarHBondContact CA-O 3.46Å; V132-M148 HydrophobicContact CB-CB 4.13Å; V132-M148 HydrophobicContact CB-CE 3.73Å; V132-M148 HydrophobicContact CG1-CE 3.48Å; V132-M148 VanDerWaalsContact CG1-CE 3.48Å; V132-M148 PolarHBondContact N-O 3.02Å; V132-M148 PolarHBondContact O-N 2.87Å; Q146-M148 HydrophobicContact CG-CG 4.41Å; M148-E150 VanDerWaalsContact CA-OE2 3.31Å; M148-E150 WeakPolarHBondContact CA-OE2 3.07Å; M148-E150 VanDerWaalsContact CB-OE2 3.26Å; M148-E150 WeakPolarHBondContact CB-OE2 3.41Å; M148-I165 HydrophobicContact CE-CD1 3.78Å; M148-I165 HydrophobicContact SD-CD1 4.24Å; M148-Y177 HydrophobicContact CB-CE1 3.89Å; M148-Y177 HydrophobicContact CG-CD1 3.99Å; M148-Y177 HydrophobicContact CG-CE1 3.82Å; M148-Y177 HydrophobicContact SD-CD1 3.52Å; M148-Y177 VanDerWaalsContact SD-CD1 3.52Å; M148-Y177 HydrophobicContact SD-CD2 3.73Å; M148-Y177 HydrophobicContact SD-CE1 3.75Å; M148-Y177 HydrophobicContact SD-CE2 3.95Å; M148-Y177 HydrophobicContact SD-CG 3.51Å; M148-Y177 VanDerWaalsContact SD-CG 3.51Å
149	D	97.6	Very high	95.3	Very high	117 Å²	117	64.7 Å²	64.7	63%	0.626	34%	0.342	S	S	*	.			trans	-118.8	24.5	-170.6	62.1	-11.4	0	0	0	112.9	T131 A151	T131-D149 HydrophobicContact CG2-CB 4.23Å; D149-A151 VanDerWaalsContact C-N 3.3Å; D149-A151 PolarHBondContact O-N 3.46Å
150	E	98	Very high	95.7	Very high	82 Å²	82	64.7 Å²	64.7	38%	0.383	34%	0.338	S	S	.	.			trans	-77.6	-12.1	-178.8	-59	83.8	170.8	0	0	113.7	M148 R175 Y177 F184	M148-E150 VanDerWaalsContact CA-OE2 3.31Å; M148-E150 WeakPolarHBondContact CA-OE2 3.07Å; M148-E150 VanDerWaalsContact CB-OE2 3.26Å; M148-E150 WeakPolarHBondContact CB-OE2 3.41Å; E150-R175 PolarHBondContact O-NE 3.35Å; E150-R175 PolarHBondContact O-NH2 3.37Å; E150-Y177 WeakPolarHBondContact OE2-CE1 3.26Å; E150-Y177 PolarHBondContact OE2-OH 3.14Å; E150-F184 HydrophobicContact CB-CE2 4.33Å; E150-F184 HydrophobicContact CB-CZ 4.07Å; E150-F184 HydrophobicContact CG-CE2 4.25Å; E150-F184 HydrophobicContact CG-CZ 4.12Å
151	A	97.9	Very high	96.1	Very high	10 Å²	10	54.6 Å²	54.6	8%	0.083	31%	0.305	C	S	.	.			trans	-84.7	129.3	176.4	0	0	0	0	0	111.2	G130 D149 V155 D171	G130-A151 WeakPolarHBondContact O-CB 3.23Å; D149-A151 VanDerWaalsContact C-N 3.3Å; D149-A151 PolarHBondContact O-N 3.46Å; A151-V155 HydrophobicContact CB-CG2 3.92Å; A151-D171 VanDerWaalsContact CA-OD2 3.32Å; A151-D171 WeakPolarHBondContact CA-OD2 3.36Å
152	S	97.6	Very high	96.1	Very high	106 Å²	106	55.6 Å²	55.6	74%	0.741	31%	0.309	S	S	*	.	S	Bend	trans	-90.5	-4.6	-179.5	56.8	0	0	0	0	113.2	D171	S152-D171 PolarHBondContact N-OD2 2.97Å; S152-D171 VanDerWaalsContact OG-CB 3.3Å; S152-D171 WeakPolarHBondContact OG-CB 3.28Å; S152-D171 PolarHBondContact OG-OD2 2.94Å
153	D	98	Very high	96.2	Very high	79 Å²	79	53.3 Å²	53.3	42%	0.422	30%	0.299	S	S	.	.	S	Bend	trans	-146.4	178.4	176.6	-157	-13.8	0	0	0	109.9	G130 V155 S169 A170 D171	G130-D153 WeakPolarHBondContact CA-O 3.39Å; D153-V155 PolarHBondContact O-N 3.02Å; D153-S169 PolarHBondContact O-OG 2.83Å; D153-S169 VanDerWaalsContact O-OG 3.14Å; D153-A170 HydrophobicContact CB-CB 4.1Å; D153-D171 HydrophobicContact CB-CB 3.84Å
154	S	98.3	Very high	96.2	Very high	14 Å²	14	46.5 Å²	46.5	10%	0.098	27%	0.267	C	S	.	.			trans	-45.9	120.6	-177	-170.6	0	0	0	0	113.8	N112 T156 S169 A170	N112-S154 PolarHBondContact ND2-OG 3.36Å; S154-T156 PolarHBondContact O-N 3.36Å; S154-S169 CarbonylContact O-C 3.59Å; S154-S169 WeakPolarHBondContact O-CA 3.45Å; S154-S169 PolarHBondContact O-OG 3.41Å; S154-A170 PolarHBondContact O-N 3.4Å
155	V	98.7	Very high	96.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	112.1	166.6	-177.4	0	0	0	0	108.2	N112 S127 V132 A151 D153 V158 T167	N112-V155 WeakPolarHBondContact CB-O 3.34Å; N112-V155 PolarHBondContact ND2-O 3.26Å; S127-V155 PolarHBondContact O-N 2.74Å; V132-V155 HydrophobicContact CG2-CG1 4.1Å; V132-V155 HydrophobicContact CG2-CG2 3.9Å; A151-V155 HydrophobicContact CB-CG2 3.92Å; D153-V155 PolarHBondContact O-N 3.02Å; V155-V158 HydrophobicContact CG1-CG2 3.77Å; V155-T167 HydrophobicContact CG1-CG2 4.49Å
156	T	98.2	Very high	96.5	Very high	17 Å²	17	40 Å²	40	10%	0.104	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-34	-171.6	53.9	0	0	0	0	112.3	S154 G168 A170 V193 K237	S154-T156 PolarHBondContact O-N 3.36Å; T156-G168 PolarHBondContact N-O 3.2Å; T156-G168 PolarHBondContact OG1-O 3.28Å; T156-G168 VanDerWaalsContact OG1-O 3.14Å; T156-A170 HydrophobicContact CG2-CB 4.48Å; T156-V193 WeakPolarHBondContact CB-O 3.25Å; T156-V193 WeakPolarHBondContact CG2-O 3.29Å; T156-V193 PolarHBondContact OG1-O 2.76Å; T156-K237 WeakPolarHBondContact O-CE 3.46Å; T156-K237 PolarHBondContact O-NZ 2.86Å
157	S	98.2	Very high	96.6	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	139.7	-175.4	-172.8	0	0	0	0	111.4	T167 G168 V196	S157-T167 VanDerWaalsContact O-CA 3.27Å; S157-T167 WeakPolarHBondContact O-CA 3.46Å; S157-G168 PolarHBondContact N-O 3.26Å; S157-G168 PolarHBondContact O-N 2.54Å; S157-V196 PolarHBondContact OG-N 2.91Å
158	V	98.4	Very high	96.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.5	177.3	178.6	0	0	0	0	109	S113 A115 V124 V132 V155 I165 L166 T167	S113-V158 PolarHBondContact OG-N 2.91Å; S113-V158 VanDerWaalsContact OG-N 3.12Å; A115-V158 HydrophobicContact CB-CG1 4.37Å; V124-V158 HydrophobicContact CB-CG1 4.14Å; V124-V158 HydrophobicContact CG1-CG1 3.71Å; V132-V158 HydrophobicContact CG1-CG2 4.47Å; V155-V158 HydrophobicContact CG1-CG2 3.77Å; V158-I165 HydrophobicContact CG1-CG2 4.16Å; V158-L166 WeakPolarHBondContact CA-O 3.08Å; V158-T167 HydrophobicContact CB-CG2 4.39Å; V158-T167 HydrophobicContact CG1-CG2 4.2Å; V158-T167 HydrophobicContact CG2-CG2 3.83Å
159	T	97.6	Very high	96.7	Very high	17 Å²	17	32.6 Å²	32.6	10%	0.104	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.9	170.9	-167.5	0	0	0	0	110.1	L166 V196 F198	T159-L166 HydrophobicContact CG2-CB 3.77Å; T159-L166 HydrophobicContact CG2-CD2 3.89Å; T159-L166 HydrophobicContact CG2-CG 4.23Å; T159-L166 PolarHBondContact N-O 3.36Å; T159-L166 PolarHBondContact O-N 2.95Å; T159-V196 HydrophobicContact CG2-CG2 4.31Å; T159-F198 HydrophobicContact CG2-CD2 3.84Å; T159-F198 HydrophobicContact CG2-CE2 4.05Å
160	C	96.3	Very high	96.7	Very high	27 Å²	27	27.7 Å²	27.7	18%	0.182	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.5	-178.2	-63.5	0	0	0	0	110.7	A115 F116 E164	A115-C160 HydrophobicContact CB-CB 4.46Å; F116-C160 WeakPolarHBondContact O-CB 3.49Å; C160-E164 WeakPolarHBondContact CA-O 3.41Å
161	S	92.3	Very high	96.7	Very high	33 Å²	33	24.5 Å²	24.5	23%	0.231	15%	0.154	C	C	.	.			trans	-98.8	-162.6	160.3	81.9	0	0	0	0	109.4	H163 E164	S161-H163 VanDerWaalsContact C-N 3.32Å; S161-H163 PolarHBondContact OG-N 2.96Å; S161-E164 PolarHBondContact N-O 3.11Å; S161-E164 WeakPolarHBondContact OG-CB 3.47Å; S161-E164 PolarHBondContact OG-N 2.79Å; S161-E164 VanDerWaalsContact OG-N 3.1Å
162	A	87.3	Confident	96.7	Very high	58 Å²	58	28.6 Å²	28.6	48%	0.479	17%	0.168	S	C	.	.	S	Bend	trans	-64	-36.3	174.8	0	0	0	0	0	113.1	K118	K118-A162 HydrophobicContact CB-CB 4.31Å
163	H	90	Very high	96.8	Very high	96 Å²	96	25.8 Å²	25.8	44%	0.444	14%	0.143	S	C	.	.	S	Bend	trans	-134.7	1.6	-171.8	-55.2	-45.6	0	0	0	113.4	S161 L179 R180	S161-H163 VanDerWaalsContact C-N 3.32Å; S161-H163 PolarHBondContact OG-N 2.96Å; H163-L179 WeakPolarHBondContact O-CB 3.42Å; H163-L179 PolarHBondContact O-N 3.45Å; H163-R180 HydrophobicContact CB-CB 4.3Å
164	E	95.5	Very high	96.8	Very high	17 Å²	17	22 Å²	22	8%	0.079	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.1	-175.7	-55.5	172.4	115.8	0	0	111	C160 S161 R176 Y177 D178 F198 K219	C160-E164 WeakPolarHBondContact CA-O 3.41Å; S161-E164 PolarHBondContact N-O 3.11Å; S161-E164 WeakPolarHBondContact OG-CB 3.47Å; S161-E164 PolarHBondContact OG-N 2.79Å; S161-E164 VanDerWaalsContact OG-N 3.1Å; E164-R176 HydrophobicContact CB-CG 4.37Å; E164-R176 WeakPolarHBondContact OE1-CD 3.17Å; E164-R176 IonicContact OE1-CZ 2.71Å; E164-R176 IonicContact OE1-NE 2.68Å; E164-R176 IonicContact OE1-NH1 2.99Å; E164-R176 PolarHBondContact OE1-NH1 3.29Å; E164-Y177 CarbonylContact C-O 3.58Å; E164-Y177 WeakPolarHBondContact CA-O 3.5Å; E164-D178 HydrophobicContact CG-CB 4.47Å; E164-F198 HydrophobicContact CB-CE1 4.49Å; E164-F198 HydrophobicContact CB-CE2 4.49Å; E164-F198 HydrophobicContact CB-CZ 3.77Å; E164-K219 IonicContact OE1-NZ 3.35Å; E164-K219 PolarHBondContact OE1-NZ 3.27Å; E164-K219 IonicContact OE2-NZ 2.94Å; E164-K219 PolarHBondContact OE2-NZ 2.98Å
165	I	97.5	Very high	96.7	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.6	166.7	-58.1	171.8	0	0	0	106.8	V124 V132 M148 V158 T167 R176 Y177 L179	V124-I165 HydrophobicContact CG1-CD1 4Å; V124-I165 HydrophobicContact CG1-CG2 3.95Å; V124-I165 HydrophobicContact CG2-CD1 3.88Å; V124-I165 HydrophobicContact CG2-CG1 4.28Å; V132-I165 HydrophobicContact CG1-CG2 4.44Å; M148-I165 HydrophobicContact CE-CD1 3.78Å; M148-I165 HydrophobicContact SD-CD1 4.24Å; V158-I165 HydrophobicContact CG1-CG2 4.16Å; I165-T167 HydrophobicContact CG2-CG2 3.82Å; I165-R176 CarbonylContact O-C 3.59Å; I165-R176 VanDerWaalsContact O-CA 3.28Å; I165-R176 WeakPolarHBondContact O-CA 3.17Å; I165-Y177 HydrophobicContact CB-CD2 4.13Å; I165-Y177 HydrophobicContact CG2-CD2 4.24Å; I165-Y177 PolarHBondContact N-O 3.06Å; I165-Y177 PolarHBondContact O-N 3.01Å; I165-L179 HydrophobicContact CD1-CD1 4.16Å; I165-L179 HydrophobicContact CD1-CD2 4.09Å; I165-L179 HydrophobicContact CD1-CG 4.5Å; I165-L179 HydrophobicContact CG1-CD1 4.2Å
166	L	98.3	Very high	96.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.9	174.2	177.5	73.4	0	0	0	109.1	V158 T159 V174 R175 R176 V196 F198 I205	V158-L166 WeakPolarHBondContact CA-O 3.08Å; T159-L166 HydrophobicContact CG2-CB 3.77Å; T159-L166 HydrophobicContact CG2-CD2 3.89Å; T159-L166 HydrophobicContact CG2-CG 4.23Å; T159-L166 PolarHBondContact N-O 3.36Å; T159-L166 PolarHBondContact O-N 2.95Å; L166-V174 HydrophobicContact CD1-CG1 3.39Å; L166-V174 HydrophobicContact CG-CG1 4.29Å; L166-R175 WeakPolarHBondContact CA-O 3.49Å; L166-R176 HydrophobicContact CD1-CB 4.25Å; L166-V196 HydrophobicContact CD2-CB 3.88Å; L166-V196 HydrophobicContact CD2-CG2 4.22Å; L166-V196 HydrophobicContact CG-CB 4.05Å; L166-V196 HydrophobicContact CG-CG2 4.02Å; L166-F198 HydrophobicContact CB-CD2 4.22Å; L166-F198 HydrophobicContact CB-CE1 4.06Å; L166-F198 HydrophobicContact CB-CE2 3.43Å; L166-F198 VanDerWaalsContact CB-CE2 3.43Å; L166-F198 HydrophobicContact CB-CZ 3.35Å; L166-F198 HydrophobicContact CD2-CD1 4.22Å; L166-F198 HydrophobicContact CD2-CD2 4.3Å; L166-F198 HydrophobicContact CD2-CE1 4.17Å; L166-F198 HydrophobicContact CD2-CE2 4.27Å; L166-F198 HydrophobicContact CD2-CG 4.3Å; L166-F198 HydrophobicContact CD2-CZ 4.23Å; L166-F198 HydrophobicContact CG-CE2 4.48Å; L166-F198 HydrophobicContact CG-CZ 4.29Å; L166-I205 HydrophobicContact CD1-CD1 4.1Å; L166-I205 HydrophobicContact CD1-CG2 4.16Å; L166-I205 HydrophobicContact CD2-CB 4.01Å; L166-I205 HydrophobicContact CD2-CG2 3.66Å
167	T	98.6	Very high	96.6	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.2	-177.2	65.9	0	0	0	0	111.7	V132 V155 S157 V158 I165 V174 R175 Y177	V132-T167 HydrophobicContact CG1-CG2 4.13Å; V132-T167 HydrophobicContact CG2-CG2 3.73Å; V155-T167 HydrophobicContact CG1-CG2 4.49Å; S157-T167 VanDerWaalsContact O-CA 3.27Å; S157-T167 WeakPolarHBondContact O-CA 3.46Å; V158-T167 HydrophobicContact CB-CG2 4.39Å; V158-T167 HydrophobicContact CG1-CG2 4.2Å; V158-T167 HydrophobicContact CG2-CG2 3.83Å; I165-T167 HydrophobicContact CG2-CG2 3.82Å; T167-V174 CarbonylContact O-C 3.58Å; T167-V174 WeakPolarHBondContact O-CA 3.47Å; T167-R175 PolarHBondContact N-O 2.93Å; T167-R175 PolarHBondContact O-N 2.95Å; T167-Y177 HydrophobicContact CG2-CE2 4.23Å
168	G	98.3	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	145.4	167.2	0	0	0	0	0	110.6	T156 S157	T156-G168 PolarHBondContact N-O 3.2Å; T156-G168 PolarHBondContact OG1-O 3.28Å; T156-G168 VanDerWaalsContact OG1-O 3.14Å; S157-G168 PolarHBondContact N-O 3.26Å; S157-G168 PolarHBondContact O-N 2.54Å
169	S	98.3	Very high	95.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	158	179.9	177.6	0	0	0	0	112.8	D153 S154 D171 Y172 H173 V193	D153-S169 PolarHBondContact O-OG 2.83Å; D153-S169 VanDerWaalsContact O-OG 3.14Å; S154-S169 CarbonylContact O-C 3.59Å; S154-S169 WeakPolarHBondContact O-CA 3.45Å; S154-S169 PolarHBondContact O-OG 3.41Å; S169-D171 WeakPolarHBondContact CB-OD1 3.48Å; S169-D171 PolarHBondContact O-N 3.42Å; S169-D171 PolarHBondContact OG-N 2.82Å; S169-D171 PolarHBondContact OG-OD1 2.85Å; S169-D171 PolarHBondContact OG-OD2 2.88Å; S169-Y172 PolarHBondContact O-N 2.88Å; S169-H173 PolarHBondContact N-O 2.68Å; S169-H173 VanDerWaalsContact N-O 3.13Å; S169-V193 PolarHBondContact O-N 2.9Å; S169-V193 VanDerWaalsContact O-N 3.14Å
170	A	97.9	Very high	95.5	Very high	15 Å²	15	35.6 Å²	35.6	12%	0.124	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.2	171.1	0	0	0	0	0	113.4	D153 S154 T156 Y172 T192	D153-A170 HydrophobicContact CB-CB 4.1Å; S154-A170 PolarHBondContact O-N 3.4Å; T156-A170 HydrophobicContact CG2-CB 4.48Å; A170-Y172 WeakPolarHBondContact O-CD1 3.28Å; A170-Y172 WeakPolarHBondContact O-CE1 3.5Å; A170-Y172 PolarHBondContact O-N 2.57Å; A170-Y172 VanDerWaalsContact O-N 3.13Å; A170-T192 HydrophobicContact CB-CG2 4.18Å
171	D	98.1	Very high	95.2	Very high	14 Å²	14	40.5 Å²	40.5	8%	0.075	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	13.8	173.5	68.2	16.1	0	0	0	114.3	A151 S152 D153 S169 H173 R175	A151-D171 VanDerWaalsContact CA-OD2 3.32Å; A151-D171 WeakPolarHBondContact CA-OD2 3.36Å; S152-D171 PolarHBondContact N-OD2 2.97Å; S152-D171 VanDerWaalsContact OG-CB 3.3Å; S152-D171 WeakPolarHBondContact OG-CB 3.28Å; S152-D171 PolarHBondContact OG-OD2 2.94Å; D153-D171 HydrophobicContact CB-CB 3.84Å; S169-D171 WeakPolarHBondContact CB-OD1 3.48Å; S169-D171 PolarHBondContact O-N 3.42Å; S169-D171 PolarHBondContact OG-N 2.82Å; S169-D171 PolarHBondContact OG-OD1 2.85Å; S169-D171 PolarHBondContact OG-OD2 2.88Å; D171-H173 VanDerWaalsContact C-N 3.29Å; D171-H173 PolarHBondContact O-CE1 2.96Å; D171-H173 PolarHBondContact O-N 3.19Å; D171-H173 PolarHBondContact O-ND1 2.77Å; D171-H173 WeakPolarHBondContact OD1-CB 3.46Å; D171-H173 IonicContact OD1-CG 3.37Å; D171-H173 PolarHBondContact OD1-N 2.85Å; D171-H173 VanDerWaalsContact OD1-N 3.15Å; D171-H173 IonicContact OD1-ND1 3.46Å; D171-H173 PolarHBondContact OD1-ND1 3.39Å; D171-R175 IonicContact OD1-CZ 3.93Å; D171-R175 IonicContact OD1-NH1 3.25Å; D171-R175 PolarHBondContact OD1-NH1 3.08Å; D171-R175 IonicContact OD1-NH2 3.25Å; D171-R175 IonicContact OD2-CZ 3.33Å; D171-R175 VanDerWaalsContact OD2-CZ 3.25Å; D171-R175 IonicContact OD2-NH1 2.81Å; D171-R175 PolarHBondContact OD2-NH1 3.15Å; D171-R175 IonicContact OD2-NH2 3.8Å; D171-R175 PolarHBondContact OD2-NH2 3.35Å
172	Y	98.1	Very high	95.1	Very high	97 Å²	97	42.1 Å²	42.1	38%	0.38	22%	0.218	S	C	.	.	S	Bend	trans	74.1	10.6	175.1	-41.7	-31.5	0	0	0	116.1	S169 A170 Y188 L189 K191 T192	S169-Y172 PolarHBondContact O-N 2.88Å; A170-Y172 WeakPolarHBondContact O-CD1 3.28Å; A170-Y172 WeakPolarHBondContact O-CE1 3.5Å; A170-Y172 PolarHBondContact O-N 2.57Å; A170-Y172 VanDerWaalsContact O-N 3.13Å; Y172-Y188 AromaticContact CD2-CE2 3.82Å; Y172-Y188 HydrophobicContact CD2-CE2 3.82Å; Y172-Y188 HydrophobicContact CG-CE2 4.27Å; Y172-L189 PolarHBondContact O-N 2.81Å; Y172-K191 VanDerWaalsContact CA-O 3.29Å; Y172-K191 WeakPolarHBondContact CA-O 3.29Å; Y172-T192 VanDerWaalsContact CD1-N 3.26Å; Y172-T192 WeakPolarHBondContact CE1-OG1 3.13Å
173	H	98.2	Very high	95.4	Very high	46 Å²	46	43.7 Å²	43.7	21%	0.213	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.9	179	-62.5	79.4	0	0	0	112.6	S169 D171 R175 S186 D187 Y188	S169-H173 PolarHBondContact N-O 2.68Å; S169-H173 VanDerWaalsContact N-O 3.13Å; D171-H173 VanDerWaalsContact C-N 3.29Å; D171-H173 PolarHBondContact O-CE1 2.96Å; D171-H173 PolarHBondContact O-N 3.19Å; D171-H173 PolarHBondContact O-ND1 2.77Å; D171-H173 WeakPolarHBondContact OD1-CB 3.46Å; D171-H173 IonicContact OD1-CG 3.37Å; D171-H173 PolarHBondContact OD1-N 2.85Å; D171-H173 VanDerWaalsContact OD1-N 3.15Å; D171-H173 IonicContact OD1-ND1 3.46Å; D171-H173 PolarHBondContact OD1-ND1 3.39Å; H173-R175 HydrophobicContact CB-CG 4.48Å; H173-S186 PolarHBondContact CD2-OG 3.49Å; H173-S186 VanDerWaalsContact CD2-OG 3.28Å; H173-D187 VanDerWaalsContact CA-O 3.28Å; H173-D187 WeakPolarHBondContact CA-O 2.92Å; H173-Y188 AromaticContact CE1-CD2 3.51Å; H173-Y188 AromaticContact NE2-CD2 3.58Å
174	V	98	Very high	95.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.9	157.8	179.9	0	0	0	0	107.8	L166 T167 S186 D187 L189 V193 V196 I205 V207	L166-V174 HydrophobicContact CD1-CG1 3.39Å; L166-V174 HydrophobicContact CG-CG1 4.29Å; T167-V174 CarbonylContact O-C 3.58Å; T167-V174 WeakPolarHBondContact O-CA 3.47Å; V174-S186 WeakPolarHBondContact O-CA 3.37Å; V174-D187 PolarHBondContact N-O 3.16Å; V174-D187 PolarHBondContact O-N 3.02Å; V174-L189 HydrophobicContact CG2-CD1 3.72Å; V174-V193 HydrophobicContact CG2-CG1 4.19Å; V174-V193 HydrophobicContact CG2-CG2 3.86Å; V174-V196 HydrophobicContact CG1-CG1 4.26Å; V174-V196 HydrophobicContact CG2-CG1 4.13Å; V174-I205 HydrophobicContact CG1-CD1 3.94Å; V174-V207 HydrophobicContact CG2-CB 4.4Å; V174-V207 HydrophobicContact CG2-CG1 3.6Å; V174-V207 HydrophobicContact CG2-CG2 3.87Å
175	R	97.9	Very high	95.7	Very high	10 Å²	10	45.8 Å²	45.8	4%	0.038	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.2	-179.5	-64.3	174.7	179	77.4	1	110.3	E150 L166 T167 D171 H173 Y177 F184 Y185	E150-R175 PolarHBondContact O-NE 3.35Å; E150-R175 PolarHBondContact O-NH2 3.37Å; L166-R175 WeakPolarHBondContact CA-O 3.49Å; T167-R175 PolarHBondContact N-O 2.93Å; T167-R175 PolarHBondContact O-N 2.95Å; D171-R175 IonicContact OD1-CZ 3.93Å; D171-R175 IonicContact OD1-NH1 3.25Å; D171-R175 PolarHBondContact OD1-NH1 3.08Å; D171-R175 IonicContact OD1-NH2 3.25Å; D171-R175 IonicContact OD2-CZ 3.33Å; D171-R175 VanDerWaalsContact OD2-CZ 3.25Å; D171-R175 IonicContact OD2-NH1 2.81Å; D171-R175 PolarHBondContact OD2-NH1 3.15Å; D171-R175 IonicContact OD2-NH2 3.8Å; D171-R175 PolarHBondContact OD2-NH2 3.35Å; H173-R175 HydrophobicContact CB-CG 4.48Å; R175-Y177 HydrophobicContact CB-CE2 3.85Å; R175-Y177 VanDerWaalsContact CD-OH 3.29Å; R175-Y177 WeakPolarHBondContact CD-OH 3.49Å; R175-F184 HydrophobicContact CB-CE2 3.95Å; R175-F184 HydrophobicContact CG-CE2 3.94Å; R175-F184 HydrophobicContact CG-CZ 4.09Å; R175-Y185 CarbonylContact C-O 3.45Å; R175-Y185 VanDerWaalsContact CA-O 3.31Å; R175-Y185 WeakPolarHBondContact CA-O 3.46Å
176	R	97.2	Very high	95.6	Very high	17 Å²	17	47.9 Å²	47.9	6%	0.064	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.1	176	-177.9	170.2	60.4	76.9	5	109.8	E164 I165 L166 Y185 K219	E164-R176 HydrophobicContact CB-CG 4.37Å; E164-R176 WeakPolarHBondContact OE1-CD 3.17Å; E164-R176 IonicContact OE1-CZ 2.71Å; E164-R176 IonicContact OE1-NE 2.68Å; E164-R176 IonicContact OE1-NH1 2.99Å; E164-R176 PolarHBondContact OE1-NH1 3.29Å; I165-R176 CarbonylContact O-C 3.59Å; I165-R176 VanDerWaalsContact O-CA 3.28Å; I165-R176 WeakPolarHBondContact O-CA 3.17Å; L166-R176 HydrophobicContact CD1-CB 4.25Å; R176-Y185 PolarHBondContact N-O 2.97Å; R176-Y185 VanDerWaalsContact NH1-CE2 3.31Å; R176-Y185 VanDerWaalsContact NH2-CG 3.28Å; R176-Y185 PolarHBondContact O-N 3.14Å; R176-K219 VanDerWaalsContact NE-CG 3.3Å; R176-K219 PolarHBondContact NH2-O 2.85Å
177	Y	96.4	Very high	95.5	Very high	13 Å²	13	49.9 Å²	49.9	5%	0.051	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	110.8	178.7	-51	-94.8	0	0	0	108.2	M148 E150 E164 I165 T167 R175 F184	M148-Y177 HydrophobicContact CB-CE1 3.89Å; M148-Y177 HydrophobicContact CG-CD1 3.99Å; M148-Y177 HydrophobicContact CG-CE1 3.82Å; M148-Y177 HydrophobicContact SD-CD1 3.52Å; M148-Y177 VanDerWaalsContact SD-CD1 3.52Å; M148-Y177 HydrophobicContact SD-CD2 3.73Å; M148-Y177 HydrophobicContact SD-CE1 3.75Å; M148-Y177 HydrophobicContact SD-CE2 3.95Å; M148-Y177 HydrophobicContact SD-CG 3.51Å; M148-Y177 VanDerWaalsContact SD-CG 3.51Å; E150-Y177 WeakPolarHBondContact OE2-CE1 3.26Å; E150-Y177 PolarHBondContact OE2-OH 3.14Å; E164-Y177 CarbonylContact C-O 3.58Å; E164-Y177 WeakPolarHBondContact CA-O 3.5Å; I165-Y177 HydrophobicContact CB-CD2 4.13Å; I165-Y177 HydrophobicContact CG2-CD2 4.24Å; I165-Y177 PolarHBondContact N-O 3.06Å; I165-Y177 PolarHBondContact O-N 3.01Å; T167-Y177 HydrophobicContact CG2-CE2 4.23Å; R175-Y177 HydrophobicContact CB-CE2 3.85Å; R175-Y177 VanDerWaalsContact CD-OH 3.29Å; R175-Y177 WeakPolarHBondContact CD-OH 3.49Å; Y177-F184 AromaticContact CD1-CD2 3.61Å; Y177-F184 HydrophobicContact CD1-CD2 3.61Å; Y177-F184 HydrophobicContact CD1-CE2 4.19Å; Y177-F184 AromaticContact CE1-CD2 3.41Å; Y177-F184 HydrophobicContact CE1-CD2 3.41Å; Y177-F184 VanDerWaalsContact CE1-CD2 3.41Å; Y177-F184 AromaticContact CE1-CE2 3.53Å; Y177-F184 HydrophobicContact CE1-CE2 3.53Å; Y177-F184 HydrophobicContact CG-CD2 4.44Å; Y177-F184 AromaticContact CZ-CE2 3.83Å
178	D	93.5	Very high	95.4	Very high	15 Å²	15	56.9 Å²	56.9	8%	0.08	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	106.3	172.2	-175	-29.6	0	0	0	108.7	E164 R180 Q181 G182 M183	E164-D178 HydrophobicContact CG-CB 4.47Å; D178-R180 VanDerWaalsContact C-N 3.27Å; D178-R180 PolarHBondContact O-N 3.03Å; D178-R180 WeakPolarHBondContact OD1-CA 3.38Å; D178-R180 WeakPolarHBondContact OD1-CB 3.47Å; D178-R180 PolarHBondContact OD1-N 2.78Å; D178-Q181 HydrophobicContact CB-CB 4.43Å; D178-Q181 PolarHBondContact OD1-N 2.86Å; D178-Q181 WeakPolarHBondContact OD2-CG 3.21Å; D178-Q181 PolarHBondContact OD2-NE2 3.2Å; D178-G182 VanDerWaalsContact O-CA 3.28Å; D178-G182 WeakPolarHBondContact O-CA 3.22Å; D178-G182 PolarHBondContact O-N 3.46Å; D178-M183 HydrophobicContact CB-CB 4.2Å; D178-M183 PolarHBondContact N-O 2.52Å; D178-M183 PolarHBondContact O-N 2.92Å; D178-M183 VanDerWaalsContact O-N 3.17Å
179	L	89.1	Confident	95.3	Very high	91 Å²	91	58 Å²	58	48%	0.476	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-21.7	-176.4	-57	177.6	0	0	0	112.6	H163 I165	H163-L179 WeakPolarHBondContact O-CB 3.42Å; H163-L179 PolarHBondContact O-N 3.45Å; I165-L179 HydrophobicContact CD1-CD1 4.16Å; I165-L179 HydrophobicContact CD1-CD2 4.09Å; I165-L179 HydrophobicContact CD1-CG 4.5Å; I165-L179 HydrophobicContact CG1-CD1 4.2Å
180	R	87.8	Confident	95.2	Very high	193 Å²	193	59.2 Å²	59.2	73%	0.728	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-41.3	-179.1	-179.3	177.5	175	157.5	-1	111.1	H163 D178	H163-R180 HydrophobicContact CB-CB 4.3Å; D178-R180 VanDerWaalsContact C-N 3.27Å; D178-R180 PolarHBondContact O-N 3.03Å; D178-R180 WeakPolarHBondContact OD1-CA 3.38Å; D178-R180 WeakPolarHBondContact OD1-CB 3.47Å; D178-R180 PolarHBondContact OD1-N 2.78Å
181	Q	90.3	Very high	95.1	Very high	129 Å²	129	62.9 Å²	62.9	60%	0.603	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-13	-179.9	-57.9	-174.1	34.9	0	0	112.7	D178 M183	D178-Q181 HydrophobicContact CB-CB 4.43Å; D178-Q181 PolarHBondContact OD1-N 2.86Å; D178-Q181 WeakPolarHBondContact OD2-CG 3.21Å; D178-Q181 PolarHBondContact OD2-NE2 3.2Å; Q181-M183 HydrophobicContact CB-CB 4.22Å; Q181-M183 HydrophobicContact CB-CG 3.6Å; Q181-M183 PolarHBondContact O-N 2.67Å
182	G	90.9	Very high	95.1	Very high	68 Å²	68	64 Å²	64	70%	0.701	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	27.4	-171.7	0	0	0	0	0	112.1	D178	D178-G182 VanDerWaalsContact O-CA 3.28Å; D178-G182 WeakPolarHBondContact O-CA 3.22Å; D178-G182 PolarHBondContact O-N 3.46Å
183	M	94.2	Very high	95.1	Very high	90 Å²	90	59.3 Å²	59.3	44%	0.443	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	143.4	-175.5	-65.7	-62.6	-66.3	0	0	110.6	D178 Q181 Y185	D178-M183 HydrophobicContact CB-CB 4.2Å; D178-M183 PolarHBondContact N-O 2.52Å; D178-M183 PolarHBondContact O-N 2.92Å; D178-M183 VanDerWaalsContact O-N 3.17Å; Q181-M183 HydrophobicContact CB-CB 4.22Å; Q181-M183 HydrophobicContact CB-CG 3.6Å; Q181-M183 PolarHBondContact O-N 2.67Å; M183-Y185 HydrophobicContact CB-CE2 3.61Å
184	F	94.1	Very high	95.1	Very high	87 Å²	87	57.2 Å²	57.2	38%	0.382	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.5	177.7	168.3	-105.9	0	0	0	109.6	E150 R175 Y177	E150-F184 HydrophobicContact CB-CE2 4.33Å; E150-F184 HydrophobicContact CB-CZ 4.07Å; E150-F184 HydrophobicContact CG-CE2 4.25Å; E150-F184 HydrophobicContact CG-CZ 4.12Å; R175-F184 HydrophobicContact CB-CE2 3.95Å; R175-F184 HydrophobicContact CG-CE2 3.94Å; R175-F184 HydrophobicContact CG-CZ 4.09Å; Y177-F184 AromaticContact CD1-CD2 3.61Å; Y177-F184 HydrophobicContact CD1-CD2 3.61Å; Y177-F184 HydrophobicContact CD1-CE2 4.19Å; Y177-F184 AromaticContact CE1-CD2 3.41Å; Y177-F184 HydrophobicContact CE1-CD2 3.41Å; Y177-F184 VanDerWaalsContact CE1-CD2 3.41Å; Y177-F184 AromaticContact CE1-CE2 3.53Å; Y177-F184 HydrophobicContact CE1-CE2 3.53Å; Y177-F184 HydrophobicContact CG-CD2 4.44Å; Y177-F184 AromaticContact CZ-CE2 3.83Å
185	Y	96.1	Very high	95	Very high	71 Å²	71	57.2 Å²	57.2	28%	0.278	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.2	177.1	-53.7	-93.4	0	0	0	109.1	R175 R176 M183	R175-Y185 CarbonylContact C-O 3.45Å; R175-Y185 VanDerWaalsContact CA-O 3.31Å; R175-Y185 WeakPolarHBondContact CA-O 3.46Å; R176-Y185 PolarHBondContact N-O 2.97Å; R176-Y185 VanDerWaalsContact NH1-CE2 3.31Å; R176-Y185 VanDerWaalsContact NH2-CG 3.28Å; R176-Y185 PolarHBondContact O-N 3.14Å; M183-Y185 HydrophobicContact CB-CE2 3.61Å
186	S	96.8	Very high	95.1	Very high	48 Å²	48	56.8 Å²	56.8	34%	0.336	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	121.4	-179.3	-177.6	0	0	0	0	110	H173 V174	H173-S186 PolarHBondContact CD2-OG 3.49Å; H173-S186 VanDerWaalsContact CD2-OG 3.28Å; V174-S186 WeakPolarHBondContact O-CA 3.37Å
187	D	96.6	Very high	95.1	Very high	42 Å²	42	57.2 Å²	57.2	23%	0.225	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.8	-179	-64.3	-57.1	0	0	0	109.8	H173 V174	H173-D187 VanDerWaalsContact CA-O 3.28Å; H173-D187 WeakPolarHBondContact CA-O 2.92Å; V174-D187 PolarHBondContact N-O 3.16Å; V174-D187 PolarHBondContact O-N 3.02Å
188	Y	96.5	Very high	95.1	Very high	147 Å²	147	58 Å²	58	58%	0.576	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	124	178.1	179.5	-102.1	0	0	0	111.2	Y172 H173 G190	Y172-Y188 AromaticContact CD2-CE2 3.82Å; Y172-Y188 HydrophobicContact CD2-CE2 3.82Å; Y172-Y188 HydrophobicContact CG-CE2 4.27Å; H173-Y188 AromaticContact CE1-CD2 3.51Å; H173-Y188 AromaticContact NE2-CD2 3.58Å; Y188-G190 VanDerWaalsContact CE1-CA 3.48Å; Y188-G190 VanDerWaalsContact CZ-CA 3.44Å
189	L	95.4	Very high	95.1	Very high	24 Å²	24	57.7 Å²	57.7	13%	0.126	29%	0.291	C	S	.	.			trans	-107.3	-9.4	-178.1	-59.7	-178.4	0	0	0	113.8	Y172 V174 K191 V193 V207 R215 L217	Y172-L189 PolarHBondContact O-N 2.81Å; V174-L189 HydrophobicContact CG2-CD1 3.72Å; L189-K191 PolarHBondContact O-N 2.85Å; L189-V193 HydrophobicContact CD1-CG2 4.13Å; L189-V207 HydrophobicContact CD1-CB 4.23Å; L189-V207 HydrophobicContact CD1-CG1 3.55Å; L189-V207 HydrophobicContact CD1-CG2 4.5Å; L189-R215 PolarHBondContact O-NH1 3.04Å; L189-L217 HydrophobicContact CD1-CD1 4.45Å; L189-L217 HydrophobicContact CD2-CD1 3.97Å
190	G	95.9	Very high	95.2	Very high	26 Å²	26	59.7 Å²	59.7	27%	0.268	30%	0.296	S	S	.	.	S	Bend	trans	68.3	12.3	-179.2	0	0	0	0	0	115.2	Y188	Y188-G190 VanDerWaalsContact CE1-CA 3.48Å; Y188-G190 VanDerWaalsContact CZ-CA 3.44Å
191	K	97	Very high	95.3	Very high	91 Å²	91	55.2 Å²	55.2	40%	0.396	29%	0.287	S	S	.	.	S	Bend	trans	-144.9	145.7	-176.5	-60.7	-66.9	-172.2	-178	0	110.2	Y172 L189 V193 C209 D211	Y172-K191 VanDerWaalsContact CA-O 3.29Å; Y172-K191 WeakPolarHBondContact CA-O 3.29Å; L189-K191 PolarHBondContact O-N 2.85Å; K191-V193 PolarHBondContact O-N 2.96Å; K191-C209 HydrophobicContact CB-CB 3.96Å; K191-D211 HydrophobicContact CD-CB 3.85Å; K191-D211 WeakPolarHBondContact CE-OD2 3.48Å; K191-D211 HydrophobicContact CG-CB 4.21Å; K191-D211 VanDerWaalsContact CG-OD2 3.32Å; K191-D211 WeakPolarHBondContact CG-OD2 3.48Å
192	T	97.7	Very high	95.3	Very high	37 Å²	37	49.8 Å²	49.8	23%	0.227	27%	0.265	C	S	.	.			trans	-58	124	176.9	-63.4	0	0	0	0	110.3	A170 Y172 C209 L210	A170-T192 HydrophobicContact CB-CG2 4.18Å; Y172-T192 VanDerWaalsContact CD1-N 3.26Å; Y172-T192 WeakPolarHBondContact CE1-OG1 3.13Å; T192-C209 CarbonylContact O-C 3.55Å; T192-C209 VanDerWaalsContact O-CA 3.26Å; T192-C209 WeakPolarHBondContact O-CA 3.4Å; T192-L210 HydrophobicContact CG2-CB 4.49Å; T192-L210 HydrophobicContact CG2-CD1 3.46Å; T192-L210 VanDerWaalsContact CG2-CD1 3.46Å; T192-L210 HydrophobicContact CG2-CG 3.87Å; T192-L210 PolarHBondContact O-N 3.46Å
193	V	98.1	Very high	95.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	124.8	176.9	-178.5	0	0	0	0	108.7	T156 S169 V174 L189 K191 V196 V207 S208	T156-V193 WeakPolarHBondContact CB-O 3.25Å; T156-V193 WeakPolarHBondContact CG2-O 3.29Å; T156-V193 PolarHBondContact OG1-O 2.76Å; S169-V193 PolarHBondContact O-N 2.9Å; S169-V193 VanDerWaalsContact O-N 3.14Å; V174-V193 HydrophobicContact CG2-CG1 4.19Å; V174-V193 HydrophobicContact CG2-CG2 3.86Å; L189-V193 HydrophobicContact CD1-CG2 4.13Å; K191-V193 PolarHBondContact O-N 2.96Å; V193-V196 HydrophobicContact CG1-CG1 3.62Å; V193-V207 HydrophobicContact CB-CG1 4.45Å; V193-V207 HydrophobicContact CG1-CG1 3.57Å; V193-V207 HydrophobicContact CG2-CG1 4.12Å; V193-S208 CarbonylContact C-O 3.57Å; V193-S208 WeakPolarHBondContact CA-O 3.42Å
194	S	96.8	Very high	95.5	Very high	1 Å²	1	49 Å²	49	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-37.2	179.7	58.3	0	0	0	0	112.6	S208 N233 K237	S194-S208 PolarHBondContact N-O 3.04Å; S194-S208 WeakPolarHBondContact OG-CB 3.44Å; S194-S208 PolarHBondContact OG-O 3.12Å; S194-N233 PolarHBondContact OG-OD1 3.19Å; S194-K237 WeakPolarHBondContact O-CE 3.4Å
195	S	97.7	Very high	95.6	Very high	2 Å²	2	45 Å²	45	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	149.7	-178.4	-161.7	0	0	0	0	112.2	V207 S208 T238	S195-V207 WeakPolarHBondContact O-CA 3.45Å; S195-S208 PolarHBondContact O-N 3.33Å; S195-T238 WeakPolarHBondContact CB-O 3.45Å
196	V	98.3	Very high	95.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	140.7	179.3	-66.2	0	0	0	0	111.1	S157 T159 L166 V174 V193 L206 V207	S157-V196 PolarHBondContact OG-N 2.91Å; T159-V196 HydrophobicContact CG2-CG2 4.31Å; L166-V196 HydrophobicContact CD2-CB 3.88Å; L166-V196 HydrophobicContact CD2-CG2 4.22Å; L166-V196 HydrophobicContact CG-CB 4.05Å; L166-V196 HydrophobicContact CG-CG2 4.02Å; V174-V196 HydrophobicContact CG1-CG1 4.26Å; V174-V196 HydrophobicContact CG2-CG1 4.13Å; V193-V196 HydrophobicContact CG1-CG1 3.62Å; V196-L206 CarbonylContact C-O 3.49Å; V196-L206 VanDerWaalsContact CA-O 3.29Å; V196-L206 WeakPolarHBondContact CA-O 3.27Å; V196-V207 HydrophobicContact CG1-CG1 4.22Å; V196-V207 HydrophobicContact CG1-CG2 4.48Å
197	N	97.5	Very high	95.8	Very high	27 Å²	27	39.4 Å²	39.4	14%	0.144	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	148.7	174.9	-74.2	-80.4	0	0	0	111.9	I205 L206 S240	N197-I205 CarbonylContact O-C 3.52Å; N197-I205 VanDerWaalsContact O-CA 3.28Å; N197-I205 WeakPolarHBondContact O-CA 3.33Å; N197-L206 HydrophobicContact CB-CB 4.46Å; N197-L206 PolarHBondContact N-O 3.39Å; N197-L206 PolarHBondContact O-N 3.46Å; N197-S240 PolarHBondContact ND2-O 2.78Å
198	F	96.1	Very high	95.8	Very high	28 Å²	28	37.4 Å²	37.4	12%	0.123	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	147.4	165.8	-69.7	-73.3	0	0	0	110.6	T159 E164 L166 I205 K219 F242	T159-F198 HydrophobicContact CG2-CD2 3.84Å; T159-F198 HydrophobicContact CG2-CE2 4.05Å; E164-F198 HydrophobicContact CB-CE1 4.49Å; E164-F198 HydrophobicContact CB-CE2 4.49Å; E164-F198 HydrophobicContact CB-CZ 3.77Å; L166-F198 HydrophobicContact CB-CD2 4.22Å; L166-F198 HydrophobicContact CB-CE1 4.06Å; L166-F198 HydrophobicContact CB-CE2 3.43Å; L166-F198 VanDerWaalsContact CB-CE2 3.43Å; L166-F198 HydrophobicContact CB-CZ 3.35Å; L166-F198 HydrophobicContact CD2-CD1 4.22Å; L166-F198 HydrophobicContact CD2-CD2 4.3Å; L166-F198 HydrophobicContact CD2-CE1 4.17Å; L166-F198 HydrophobicContact CD2-CE2 4.27Å; L166-F198 HydrophobicContact CD2-CG 4.3Å; L166-F198 HydrophobicContact CD2-CZ 4.23Å; L166-F198 HydrophobicContact CG-CE2 4.48Å; L166-F198 HydrophobicContact CG-CZ 4.29Å; F198-I205 HydrophobicContact CD1-CG2 3.66Å; F198-I205 HydrophobicContact CE1-CG2 3.94Å; F198-K219 HydrophobicContact CD1-CD 4.34Å; F198-K219 HydrophobicContact CE1-CD 4.01Å; F198-F242 WeakPolarHBondContact O-CD2 3.41Å
199	S	94.8	Very high	95.9	Very high	9 Å²	9	30.4 Å²	30.4	6%	0.063	16%	0.16	C	C	.	.			trans	-68.3	159	160	59.2	0	0	0	0	110.4	D201 G202 Q203 C204	S199-D201 VanDerWaalsContact C-N 3.31Å; S199-D201 WeakPolarHBondContact CB-OD1 3.3Å; S199-D201 PolarHBondContact O-N 3.13Å; S199-D201 PolarHBondContact OG-OD1 2.7Å; S199-G202 PolarHBondContact O-N 3.14Å; S199-Q203 PolarHBondContact OG-N 2.74Å; S199-C204 PolarHBondContact N-O 2.96Å; S199-C204 PolarHBondContact OG-N 2.67Å; S199-C204 PolarHBondContact OG-O 2.83Å; S199-C204 VanDerWaalsContact OG-O 3.11Å
200	K	90	Very high	95.9	Very high	134 Å²	134	31.5 Å²	31.5	58%	0.583	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-33.3	-176.6	-64.2	179.7	168.4	-164.4	0	113	G202 N244 D246	K200-G202 PolarHBondContact O-N 3.33Å; K200-N244 VanDerWaalsContact CE-O 3.25Å; K200-N244 WeakPolarHBondContact CE-O 3.2Å; K200-N244 PolarHBondContact NZ-O 3.09Å; K200-D246 WeakPolarHBondContact CB-OD2 3.45Å; K200-D246 WeakPolarHBondContact CD-OD1 3.42Å; K200-D246 WeakPolarHBondContact CG-OD1 3.41Å; K200-D246 WeakPolarHBondContact CG-OD2 3.42Å; K200-D246 PolarHBondContact N-OD2 2.88Å; K200-D246 VanDerWaalsContact N-OD2 3.1Å
201	D	90	Very high	96	Very high	99 Å²	99	32.1 Å²	32.1	53%	0.529	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-8.4	174	69.3	-2	0	0	0	113.4	S199 Q203	S199-D201 VanDerWaalsContact C-N 3.31Å; S199-D201 WeakPolarHBondContact CB-OD1 3.3Å; S199-D201 PolarHBondContact O-N 3.13Å; S199-D201 PolarHBondContact OG-OD1 2.7Å; D201-Q203 HydrophobicContact CB-CG 4.26Å; D201-Q203 PolarHBondContact O-N 3.49Å; D201-Q203 PolarHBondContact O-NE2 3.37Å; D201-Q203 PolarHBondContact OD1-N 3.44Å
202	G	91.2	Very high	96	Very high	15 Å²	15	29 Å²	29	16%	0.155	15%	0.152	C	C	.	.	S	Bend	trans	65.6	15.8	-178.6	0	0	0	0	0	114.5	S199 K200 K219	S199-G202 PolarHBondContact O-N 3.14Å; K200-G202 PolarHBondContact O-N 3.33Å; G202-K219 VanDerWaalsContact O-CD 3.26Å; G202-K219 WeakPolarHBondContact O-CD 3.49Å; G202-K219 WeakPolarHBondContact O-CE 3.42Å; G202-K219 PolarHBondContact O-NZ 3.48Å
203	Q	93.3	Very high	96	Very high	118 Å²	118	27.6 Å²	27.6	55%	0.551	14%	0.144	S	C	*	.	S	Bend	trans	-90	-24.4	179.4	-59.6	-53.7	-46.5	0	0	113	S199 D201 K219	S199-Q203 PolarHBondContact OG-N 2.74Å; D201-Q203 HydrophobicContact CB-CG 4.26Å; D201-Q203 PolarHBondContact O-N 3.49Å; D201-Q203 PolarHBondContact O-NE2 3.37Å; D201-Q203 PolarHBondContact OD1-N 3.44Å; Q203-K219 WeakPolarHBondContact O-CB 3.18Å; Q203-K219 PolarHBondContact O-N 2.85Å
204	C	95.5	Very high	95.9	Very high	23 Å²	23	27.6 Å²	27.6	16%	0.155	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160.7	-178	-61.3	0	0	0	0	111.6	S199 L216 L217	S199-C204 PolarHBondContact N-O 2.96Å; S199-C204 PolarHBondContact OG-N 2.67Å; S199-C204 PolarHBondContact OG-O 2.83Å; S199-C204 VanDerWaalsContact OG-O 3.11Å; C204-L216 HydrophobicContact CB-CD1 3.8Å; C204-L216 HydrophobicContact CB-CG 4.29Å; C204-L217 CarbonylContact C-O 3.58Å; C204-L217 VanDerWaalsContact CA-O 3.25Å; C204-L217 WeakPolarHBondContact CA-O 3.39Å
205	I	97	Very high	95.9	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.2	167	59.5	176	0	0	0	109.5	L166 V174 N197 F198 V207 L216 L217 K219	L166-I205 HydrophobicContact CD1-CD1 4.1Å; L166-I205 HydrophobicContact CD1-CG2 4.16Å; L166-I205 HydrophobicContact CD2-CB 4.01Å; L166-I205 HydrophobicContact CD2-CG2 3.66Å; V174-I205 HydrophobicContact CG1-CD1 3.94Å; N197-I205 CarbonylContact O-C 3.52Å; N197-I205 VanDerWaalsContact O-CA 3.28Å; N197-I205 WeakPolarHBondContact O-CA 3.33Å; F198-I205 HydrophobicContact CD1-CG2 3.66Å; F198-I205 HydrophobicContact CE1-CG2 3.94Å; I205-V207 HydrophobicContact CD1-CG2 4.27Å; I205-V207 HydrophobicContact CG1-CG2 4.28Å; I205-L216 WeakPolarHBondContact O-CA 3.35Å; I205-L217 HydrophobicContact CD1-CB 4.21Å; I205-L217 HydrophobicContact CD1-CD1 4.03Å; I205-L217 HydrophobicContact CG1-CB 3.72Å; I205-L217 HydrophobicContact CG1-CD1 4.28Å; I205-L217 HydrophobicContact CG1-CG 4.3Å; I205-L217 PolarHBondContact N-O 3.1Å; I205-L217 PolarHBondContact O-N 3.21Å; I205-K219 HydrophobicContact CG2-CG 4.39Å
206	L	97.7	Very high	95.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.6	172.6	-167.7	74.1	0	0	0	108.7	V196 N197 I214 L216 F228 F242 V249	V196-L206 CarbonylContact C-O 3.49Å; V196-L206 VanDerWaalsContact CA-O 3.29Å; V196-L206 WeakPolarHBondContact CA-O 3.27Å; N197-L206 HydrophobicContact CB-CB 4.46Å; N197-L206 PolarHBondContact N-O 3.39Å; N197-L206 PolarHBondContact O-N 3.46Å; L206-I214 HydrophobicContact CD1-CG2 3.48Å; L206-I214 VanDerWaalsContact CD1-CG2 3.48Å; L206-I214 HydrophobicContact CD2-CG2 4.15Å; L206-I214 HydrophobicContact CG-CG2 3.64Å; L206-L216 HydrophobicContact CD1-CD1 4.25Å; L206-F228 HydrophobicContact CD1-CE2 4.36Å; L206-F242 HydrophobicContact CB-CD2 4.26Å; L206-F242 HydrophobicContact CB-CE1 4.47Å; L206-F242 HydrophobicContact CB-CE2 3.46Å; L206-F242 VanDerWaalsContact CB-CE2 3.46Å; L206-F242 HydrophobicContact CB-CZ 3.6Å; L206-F242 HydrophobicContact CD1-CE1 4.41Å; L206-F242 HydrophobicContact CD1-CZ 4.24Å; L206-F242 HydrophobicContact CD2-CD2 4.48Å; L206-F242 HydrophobicContact CD2-CE2 4.4Å; L206-F242 HydrophobicContact CG-CE2 4.42Å; L206-F242 HydrophobicContact CG-CZ 4.37Å; L206-V249 HydrophobicContact CD1-CG1 4.01Å; L206-V249 HydrophobicContact CD1-CG2 3.97Å; L206-V249 HydrophobicContact CD2-CG1 3.72Å; L206-V249 HydrophobicContact CD2-CG2 4.44Å; L206-V249 HydrophobicContact CG-CG1 4.47Å
207	V	98.1	Very high	95.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.3	-175.1	-171.8	0	0	0	0	109.4	V174 L189 V193 S195 V196 I205 I214 R215 L217	V174-V207 HydrophobicContact CG2-CB 4.4Å; V174-V207 HydrophobicContact CG2-CG1 3.6Å; V174-V207 HydrophobicContact CG2-CG2 3.87Å; L189-V207 HydrophobicContact CD1-CB 4.23Å; L189-V207 HydrophobicContact CD1-CG1 3.55Å; L189-V207 HydrophobicContact CD1-CG2 4.5Å; V193-V207 HydrophobicContact CB-CG1 4.45Å; V193-V207 HydrophobicContact CG1-CG1 3.57Å; V193-V207 HydrophobicContact CG2-CG1 4.12Å; S195-V207 WeakPolarHBondContact O-CA 3.45Å; V196-V207 HydrophobicContact CG1-CG1 4.22Å; V196-V207 HydrophobicContact CG1-CG2 4.48Å; I205-V207 HydrophobicContact CD1-CG2 4.27Å; I205-V207 HydrophobicContact CG1-CG2 4.28Å; V207-I214 CarbonylContact O-C 3.59Å; V207-I214 WeakPolarHBondContact O-CA 3.14Å; V207-R215 PolarHBondContact N-O 3.04Å; V207-R215 PolarHBondContact O-N 3.3Å; V207-L217 HydrophobicContact CG2-CD1 3.93Å; V207-L217 HydrophobicContact CG2-CG 4.35Å
208	S	97.7	Very high	95.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	137.7	169.5	-67.7	0	0	0	0	110.5	V193 S194 S195 S240	V193-S208 CarbonylContact C-O 3.57Å; V193-S208 WeakPolarHBondContact CA-O 3.42Å; S194-S208 PolarHBondContact N-O 3.04Å; S194-S208 WeakPolarHBondContact OG-CB 3.44Å; S194-S208 PolarHBondContact OG-O 3.12Å; S195-S208 PolarHBondContact O-N 3.33Å; S208-S240 WeakPolarHBondContact OG-CB 3.47Å; S208-S240 PolarHBondContact OG-OG 2.99Å
209	C	97.7	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.5	-179.9	-67.9	0	0	0	0	111	K191 T192 D211 S212 T213 N233	K191-C209 HydrophobicContact CB-CB 3.96Å; T192-C209 CarbonylContact O-C 3.55Å; T192-C209 VanDerWaalsContact O-CA 3.26Å; T192-C209 WeakPolarHBondContact O-CA 3.4Å; C209-D211 WeakPolarHBondContact CB-OD1 2.93Å; C209-D211 PolarHBondContact O-N 2.85Å; C209-S212 PolarHBondContact O-N 3.47Å; C209-T213 PolarHBondContact N-O 2.9Å; C209-N233 PolarHBondContact O-OD1 3.23Å
210	L	96.8	Very high	95.3	Very high	47 Å²	47	34 Å²	34	25%	0.246	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	46.6	173.9	-60.7	-175.3	0	0	0	112.8	T192 N233 Y236	T192-L210 HydrophobicContact CG2-CB 4.49Å; T192-L210 HydrophobicContact CG2-CD1 3.46Å; T192-L210 VanDerWaalsContact CG2-CD1 3.46Å; T192-L210 HydrophobicContact CG2-CG 3.87Å; T192-L210 PolarHBondContact O-N 3.46Å; L210-N233 CarbonylContact C-O 3.56Å; L210-N233 VanDerWaalsContact C-O 3.29Å; L210-N233 WeakPolarHBondContact CA-O 3.48Å; L210-Y236 WeakPolarHBondContact CD2-O 3.44Å
211	D	96.9	Very high	95.3	Very high	40 Å²	40	35.4 Å²	35.4	21%	0.214	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.5	20.7	168.6	66.1	-15.5	0	0	0	111	K191 C209 T213 R215 N233	K191-D211 HydrophobicContact CD-CB 3.85Å; K191-D211 WeakPolarHBondContact CE-OD2 3.48Å; K191-D211 HydrophobicContact CG-CB 4.21Å; K191-D211 VanDerWaalsContact CG-OD2 3.32Å; K191-D211 WeakPolarHBondContact CG-OD2 3.48Å; C209-D211 WeakPolarHBondContact CB-OD1 2.93Å; C209-D211 PolarHBondContact O-N 2.85Å; D211-T213 PolarHBondContact O-N 3.37Å; D211-T213 VanDerWaalsContact OD1-CB 3.32Å; D211-T213 WeakPolarHBondContact OD1-CB 3.32Å; D211-T213 WeakPolarHBondContact OD1-CG2 3.35Å; D211-T213 PolarHBondContact OD1-N 3.41Å; D211-T213 PolarHBondContact OD1-OG1 2.98Å; D211-T213 PolarHBondContact OD2-OG1 2.95Å; D211-R215 IonicContact OD2-NH2 3.77Å; D211-R215 PolarHBondContact OD2-NH2 2.62Å; D211-N233 PolarHBondContact N-O 2.86Å
212	S	97.3	Very high	95.3	Very high	24 Å²	24	31.6 Å²	31.6	17%	0.168	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	26.9	-175.9	-55.1	0	0	0	0	114.1	C209 H231 N233 V234	C209-S212 PolarHBondContact O-N 3.47Å; S212-H231 VanDerWaalsContact C-CE1 3.48Å; S212-H231 WeakPolarHBondContact CB-O 3.4Å; S212-H231 PolarHBondContact O-CE1 2.99Å; S212-N233 WeakPolarHBondContact CA-O 3.37Å; S212-N233 PolarHBondContact N-O 3.01Å; S212-N233 PolarHBondContact OG-N 3.08Å; S212-N233 PolarHBondContact OG-O 3.41Å; S212-V234 WeakPolarHBondContact OG-CG1 3.18Å
213	T	97	Very high	95.4	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.055	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	141.8	176.6	76.1	0	0	0	0	111.5	C209 D211 R215 E227 T229	C209-T213 PolarHBondContact N-O 2.9Å; D211-T213 PolarHBondContact O-N 3.37Å; D211-T213 VanDerWaalsContact OD1-CB 3.32Å; D211-T213 WeakPolarHBondContact OD1-CB 3.32Å; D211-T213 WeakPolarHBondContact OD1-CG2 3.35Å; D211-T213 PolarHBondContact OD1-N 3.41Å; D211-T213 PolarHBondContact OD1-OG1 2.98Å; D211-T213 PolarHBondContact OD2-OG1 2.95Å; T213-R215 PolarHBondContact OG1-NE 3.06Å; T213-E227 HydrophobicContact CG2-CG 4.19Å; T213-E227 WeakPolarHBondContact CG2-OE1 3.33Å; T213-T229 HydrophobicContact CG2-CG2 4.21Å
214	I	97.4	Very high	95.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.8	164.3	-52.3	162.5	0	0	0	106.9	L206 V207 E227 F228 V249 W261	L206-I214 HydrophobicContact CD1-CG2 3.48Å; L206-I214 VanDerWaalsContact CD1-CG2 3.48Å; L206-I214 HydrophobicContact CD2-CG2 4.15Å; L206-I214 HydrophobicContact CG-CG2 3.64Å; V207-I214 CarbonylContact O-C 3.59Å; V207-I214 WeakPolarHBondContact O-CA 3.14Å; I214-E227 CarbonylContact O-C 3.57Å; I214-E227 VanDerWaalsContact O-CA 3.28Å; I214-E227 WeakPolarHBondContact O-CA 3.3Å; I214-F228 HydrophobicContact CB-CB 4.23Å; I214-F228 HydrophobicContact CB-CD2 4.2Å; I214-F228 HydrophobicContact CG2-CD2 4.3Å; I214-F228 PolarHBondContact N-O 2.54Å; I214-F228 WeakPolarHBondContact O-CD2 3.35Å; I214-F228 PolarHBondContact O-N 2.92Å; I214-V249 HydrophobicContact CD1-CG1 4.35Å; I214-V249 HydrophobicContact CG2-CG1 4.35Å; I214-W261 HydrophobicContact CD1-CE3 4.27Å; I214-W261 HydrophobicContact CD1-CH2 3.63Å; I214-W261 HydrophobicContact CD1-CZ2 4.49Å; I214-W261 HydrophobicContact CD1-CZ3 3.52Å
215	R	97	Very high	95.4	Very high	34 Å²	34	37.6 Å²	37.6	13%	0.128	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.2	-173.5	-61.6	-179.4	-170.2	-175	3.2	109.5	L189 V207 D211 T213 L217 L224 T226 E227	L189-R215 PolarHBondContact O-NH1 3.04Å; V207-R215 PolarHBondContact N-O 3.04Å; V207-R215 PolarHBondContact O-N 3.3Å; D211-R215 IonicContact OD2-NH2 3.77Å; D211-R215 PolarHBondContact OD2-NH2 2.62Å; T213-R215 PolarHBondContact OG1-NE 3.06Å; R215-L217 HydrophobicContact CB-CD2 4.3Å; R215-L224 HydrophobicContact CB-CD1 3.71Å; R215-L224 HydrophobicContact CG-CD1 4.03Å; R215-T226 WeakPolarHBondContact CA-O 3.02Å; R215-E227 HydrophobicContact CG-CG 4.25Å
216	L	96.8	Very high	95.3	Very high	13 Å²	13	37.9 Å²	37.9	7%	0.068	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	120	169.1	-173	74.1	0	0	0	108.1	C204 I205 L206 L225 T226 F228 F242 L263	C204-L216 HydrophobicContact CB-CD1 3.8Å; C204-L216 HydrophobicContact CB-CG 4.29Å; I205-L216 WeakPolarHBondContact O-CA 3.35Å; L206-L216 HydrophobicContact CD1-CD1 4.25Å; L216-L225 HydrophobicContact CD2-CB 4.29Å; L216-L225 HydrophobicContact CD2-CD1 4.2Å; L216-L225 HydrophobicContact CG-CB 4.48Å; L216-L225 HydrophobicContact CG-CD1 4.36Å; L216-L225 WeakPolarHBondContact O-CB 3.18Å; L216-L225 PolarHBondContact O-N 2.75Å; L216-T226 HydrophobicContact CB-CG2 3.61Å; L216-T226 HydrophobicContact CD2-CG2 3.87Å; L216-T226 HydrophobicContact CG-CG2 4.4Å; L216-T226 PolarHBondContact N-O 2.56Å; L216-T226 PolarHBondContact O-N 2.87Å; L216-F228 HydrophobicContact CB-CE2 4.34Å; L216-F242 HydrophobicContact CD1-CE1 3.78Å; L216-F242 HydrophobicContact CD1-CZ 3.56Å; L216-L263 HydrophobicContact CD1-CD1 4.32Å; L216-L263 HydrophobicContact CD2-CD1 3.98Å; L216-L263 HydrophobicContact CD2-CG 4.49Å
217	L	96.9	Very high	95.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.3	179.1	-46.2	175.8	0	0	0	110.3	L189 C204 I205 V207 R215 K219 Q223 L224	L189-L217 HydrophobicContact CD1-CD1 4.45Å; L189-L217 HydrophobicContact CD2-CD1 3.97Å; C204-L217 CarbonylContact C-O 3.58Å; C204-L217 VanDerWaalsContact CA-O 3.25Å; C204-L217 WeakPolarHBondContact CA-O 3.39Å; I205-L217 HydrophobicContact CD1-CB 4.21Å; I205-L217 HydrophobicContact CD1-CD1 4.03Å; I205-L217 HydrophobicContact CG1-CB 3.72Å; I205-L217 HydrophobicContact CG1-CD1 4.28Å; I205-L217 HydrophobicContact CG1-CG 4.3Å; I205-L217 PolarHBondContact N-O 3.1Å; I205-L217 PolarHBondContact O-N 3.21Å; V207-L217 HydrophobicContact CG2-CD1 3.93Å; V207-L217 HydrophobicContact CG2-CG 4.35Å; R215-L217 HydrophobicContact CB-CD2 4.3Å; L217-K219 PolarHBondContact O-N 3.31Å; L217-Q223 CarbonylContact C-O 3.56Å; L217-Q223 VanDerWaalsContact CA-O 3.26Å; L217-Q223 WeakPolarHBondContact CA-O 3.46Å; L217-L224 HydrophobicContact CD2-CB 3.94Å; L217-L224 HydrophobicContact CD2-CD1 3.62Å; L217-L224 HydrophobicContact CD2-CG 4.41Å
218	E	95.5	Very high	95.2	Very high	59 Å²	59	41.5 Å²	41.5	28%	0.276	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.2	165.7	-171.7	-156.9	175.8	0	0	109	G220 G222 Q223 L225	E218-G220 VanDerWaalsContact C-N 3.29Å; E218-G220 PolarHBondContact O-N 2.78Å; E218-G222 WeakPolarHBondContact O-CA 3.2Å; E218-G222 PolarHBondContact O-N 3.14Å; E218-Q223 HydrophobicContact CB-CB 4.37Å; E218-Q223 PolarHBondContact N-O 3.47Å; E218-L225 HydrophobicContact CB-CD1 4.12Å; E218-L225 HydrophobicContact CB-CD2 4.16Å; E218-L225 HydrophobicContact CB-CG 4.17Å
219	K	93.3	Very high	95.1	Very high	39 Å²	39	45.1 Å²	45.1	17%	0.17	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-32.4	-174.5	-170	-176.9	78.4	177.4	0	113.5	E164 R176 F198 G202 Q203 I205 L217	E164-K219 IonicContact OE1-NZ 3.35Å; E164-K219 PolarHBondContact OE1-NZ 3.27Å; E164-K219 IonicContact OE2-NZ 2.94Å; E164-K219 PolarHBondContact OE2-NZ 2.98Å; R176-K219 VanDerWaalsContact NE-CG 3.3Å; R176-K219 PolarHBondContact NH2-O 2.85Å; F198-K219 HydrophobicContact CD1-CD 4.34Å; F198-K219 HydrophobicContact CE1-CD 4.01Å; G202-K219 VanDerWaalsContact O-CD 3.26Å; G202-K219 WeakPolarHBondContact O-CD 3.49Å; G202-K219 WeakPolarHBondContact O-CE 3.42Å; G202-K219 PolarHBondContact O-NZ 3.48Å; Q203-K219 WeakPolarHBondContact O-CB 3.18Å; Q203-K219 PolarHBondContact O-N 2.85Å; I205-K219 HydrophobicContact CG2-CG 4.39Å; L217-K219 PolarHBondContact O-N 3.31Å
220	G	87.5	Confident	94.9	Very high	54 Å²	54	47.5 Å²	47.5	56%	0.557	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-42.3	-173.4	0	0	0	0	0	113.7	E218	E218-G220 VanDerWaalsContact C-N 3.29Å; E218-G220 PolarHBondContact O-N 2.78Å
221	K	90	Very high	94.9	Very high	164 Å²	164	45.5 Å²	45.5	71%	0.713	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-5.5	-174.8	-63.5	179.3	-176.8	170.2	0	114.4	Q223	K221-Q223 HydrophobicContact CB-CB 4.44Å; K221-Q223 PolarHBondContact O-N 3.18Å
222	G	90	Very high	94.9	Very high	19 Å²	19	46.2 Å²	46.2	20%	0.196	26%	0.263	C	S	.	.			trans	68.7	16.1	-172.3	0	0	0	0	0	113.2	E218	E218-G222 WeakPolarHBondContact O-CA 3.2Å; E218-G222 PolarHBondContact O-N 3.14Å
223	Q	93.5	Very high	94.8	Very high	116 Å²	116	45.1 Å²	45.1	54%	0.542	26%	0.255	S	S	.	.			trans	-73.7	130.7	-175.3	-175	173.9	22.6	0	0	110.9	L217 E218 K221 L225	L217-Q223 CarbonylContact C-O 3.56Å; L217-Q223 VanDerWaalsContact CA-O 3.26Å; L217-Q223 WeakPolarHBondContact CA-O 3.46Å; E218-Q223 HydrophobicContact CB-CB 4.37Å; E218-Q223 PolarHBondContact N-O 3.47Å; K221-Q223 HydrophobicContact CB-CB 4.44Å; K221-Q223 PolarHBondContact O-N 3.18Å; Q223-L225 PolarHBondContact O-N 2.83Å
224	L	95.6	Very high	94.8	Very high	85 Å²	85	48.1 Å²	48.1	45%	0.445	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	116	170	-179.2	66.2	0	0	0	110.6	R215 L217 T226	R215-L224 HydrophobicContact CB-CD1 3.71Å; R215-L224 HydrophobicContact CG-CD1 4.03Å; L217-L224 HydrophobicContact CD2-CB 3.94Å; L217-L224 HydrophobicContact CD2-CD1 3.62Å; L217-L224 HydrophobicContact CD2-CG 4.41Å; L224-T226 WeakPolarHBondContact CD1-O 3.1Å
225	L	94.5	Very high	94.6	Very high	81 Å²	81	54.7 Å²	54.7	42%	0.424	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-45.7	177.1	-61.3	178.2	0	0	0	111.1	L216 E218 Q223	L216-L225 HydrophobicContact CD2-CB 4.29Å; L216-L225 HydrophobicContact CD2-CD1 4.2Å; L216-L225 HydrophobicContact CG-CB 4.48Å; L216-L225 HydrophobicContact CG-CD1 4.36Å; L216-L225 WeakPolarHBondContact O-CB 3.18Å; L216-L225 PolarHBondContact O-N 2.75Å; E218-L225 HydrophobicContact CB-CD1 4.12Å; E218-L225 HydrophobicContact CB-CD2 4.16Å; E218-L225 HydrophobicContact CB-CG 4.17Å; Q223-L225 PolarHBondContact O-N 2.83Å
226	T	95.3	Very high	94.4	Very high	11 Å²	11	58.9 Å²	58.9	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	162.4	179	-170.2	0	0	0	0	112.6	R215 L216 L224 F228 K266	R215-T226 WeakPolarHBondContact CA-O 3.02Å; L216-T226 HydrophobicContact CB-CG2 3.61Å; L216-T226 HydrophobicContact CD2-CG2 3.87Å; L216-T226 HydrophobicContact CG-CG2 4.4Å; L216-T226 PolarHBondContact N-O 2.56Å; L216-T226 PolarHBondContact O-N 2.87Å; L224-T226 WeakPolarHBondContact CD1-O 3.1Å; T226-F228 HydrophobicContact CG2-CE1 4.3Å; T226-F228 HydrophobicContact CG2-CE2 3.72Å; T226-F228 HydrophobicContact CG2-CZ 3.5Å; T226-F228 VanDerWaalsContact CG2-CZ 3.5Å; T226-K266 WeakPolarHBondContact OG1-CD 3.43Å; T226-K266 WeakPolarHBondContact OG1-CE 3.25Å; T226-K266 PolarHBondContact OG1-NZ 2.8Å
227	E	95.6	Very high	94.2	Very high	74 Å²	74	61.6 Å²	61.6	35%	0.346	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.9	174.5	-167.5	178.8	120.2	0	0	109.9	T213 I214 R215 T229	T213-E227 HydrophobicContact CG2-CG 4.19Å; T213-E227 WeakPolarHBondContact CG2-OE1 3.33Å; I214-E227 CarbonylContact O-C 3.57Å; I214-E227 VanDerWaalsContact O-CA 3.28Å; I214-E227 WeakPolarHBondContact O-CA 3.3Å; R215-E227 HydrophobicContact CG-CG 4.25Å; E227-T229 HydrophobicContact CG-CG2 4.13Å; E227-T229 VanDerWaalsContact OE1-CG2 3.29Å; E227-T229 WeakPolarHBondContact OE1-CG2 3.27Å
228	F	97	Very high	94.1	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.6	174.3	-49.9	-83.8	0	0	0	109.2	L206 I214 L216 T226 V249 W261 L263 K266	L206-F228 HydrophobicContact CD1-CE2 4.36Å; I214-F228 HydrophobicContact CB-CB 4.23Å; I214-F228 HydrophobicContact CB-CD2 4.2Å; I214-F228 HydrophobicContact CG2-CD2 4.3Å; I214-F228 PolarHBondContact N-O 2.54Å; I214-F228 WeakPolarHBondContact O-CD2 3.35Å; I214-F228 PolarHBondContact O-N 2.92Å; L216-F228 HydrophobicContact CB-CE2 4.34Å; T226-F228 HydrophobicContact CG2-CE1 4.3Å; T226-F228 HydrophobicContact CG2-CE2 3.72Å; T226-F228 HydrophobicContact CG2-CZ 3.5Å; T226-F228 VanDerWaalsContact CG2-CZ 3.5Å; F228-V249 HydrophobicContact CE2-CG2 3.99Å; F228-V249 HydrophobicContact CZ-CG2 4.12Å; F228-W261 HydrophobicContact CB-CD2 4.03Å; F228-W261 HydrophobicContact CB-CG 4.08Å; F228-W261 HydrophobicContact CD1-CB 3.66Å; F228-W261 AromaticContact CD1-CG 3.84Å; F228-W261 HydrophobicContact CD1-CG 3.84Å; F228-W261 HydrophobicContact CE1-CB 4.12Å; F228-W261 HydrophobicContact CG-CB 4.39Å; F228-W261 HydrophobicContact CG-CG 4.26Å; F228-L263 HydrophobicContact CE2-CD1 4.45Å; F228-L263 HydrophobicContact CZ-CD1 3.94Å; F228-K266 HydrophobicContact CD1-CB 4.45Å; F228-K266 HydrophobicContact CE1-CB 4.43Å; F228-K266 HydrophobicContact CE1-CG 4.46Å
229	T	96.3	Very high	94.1	Very high	76 Å²	76	59.1 Å²	59.1	47%	0.466	32%	0.32	S	S	.	.			trans	-133.4	175.3	-175.7	60.4	0	0	0	0	110.8	T213 E227 W261	T213-T229 HydrophobicContact CG2-CG2 4.21Å; E227-T229 HydrophobicContact CG-CG2 4.13Å; E227-T229 VanDerWaalsContact OE1-CG2 3.29Å; E227-T229 WeakPolarHBondContact OE1-CG2 3.27Å; T229-W261 PolarHBondContact O-NE1 2.75Å
230	G	93.4	Very high	94.3	Very high	51 Å²	51	57.4 Å²	57.4	53%	0.526	31%	0.313	S	S	.	.	S	Bend	trans	104.3	-14.8	176.2	0	0	0	0	0	115.1	Y259	G230-Y259 VanDerWaalsContact O-CE1 3.27Å; G230-Y259 WeakPolarHBondContact O-CE1 3.36Å; G230-Y259 VanDerWaalsContact O-CZ 3.27Å; G230-Y259 PolarHBondContact O-OH 2.93Å; G230-Y259 VanDerWaalsContact O-OH 3.06Å
231	H	95.7	Very high	94.7	Very high	5 Å²	5	56 Å²	56	2%	0.023	30%	0.295	C	S	.	.	S	Bend	trans	-84.1	169.2	163.6	74.7	-64.1	0	0	0	110.2	S212 Y259 W261	S212-H231 VanDerWaalsContact C-CE1 3.48Å; S212-H231 WeakPolarHBondContact CB-O 3.4Å; S212-H231 PolarHBondContact O-CE1 2.99Å; H231-Y259 HydrophobicContact CB-CD1 4.27Å; H231-Y259 HydrophobicContact CB-CD2 3.52Å; H231-Y259 HydrophobicContact CB-CE1 4.5Å; H231-Y259 HydrophobicContact CB-CE2 3.81Å; H231-Y259 HydrophobicContact CB-CG 3.78Å; H231-W261 HydrophobicContact CB-CH2 3.86Å; H231-W261 HydrophobicContact CB-CZ2 4.01Å; H231-W261 AromaticContact CG-CH2 3.74Å; H231-W261 AromaticContact ND1-CH2 3.6Å; H231-W261 AromaticContact ND1-CZ2 3.66Å
232	V	96.9	Very high	94.9	Very high	55 Å²	55	49 Å²	49	33%	0.333	26%	0.264	S	S	.	.			trans	-110.4	117.5	176	-175.9	0	0	0	0	108.7	V234 S253 E254 D255	V232-V234 HydrophobicContact CG1-CG2 4.17Å; V232-S253 PolarHBondContact N-OG 2.88Å; V232-S253 WeakPolarHBondContact O-CA 3.31Å; V232-S253 PolarHBondContact O-OG 2.89Å; V232-E254 HydrophobicContact CB-CB 4.22Å; V232-E254 HydrophobicContact CG1-CB 3.98Å; V232-E254 PolarHBondContact O-N 3.08Å; V232-D255 HydrophobicContact CG2-CB 4.38Å
233	N	96.1	Very high	95.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.256	C	S	.	.			trans	-145.5	95.7	171.5	-170.5	-140.7	0	0	0	110.3	S194 C209 L210 D211 S212 Y236 T238 E254	S194-N233 PolarHBondContact OG-OD1 3.19Å; C209-N233 PolarHBondContact O-OD1 3.23Å; L210-N233 CarbonylContact C-O 3.56Å; L210-N233 VanDerWaalsContact C-O 3.29Å; L210-N233 WeakPolarHBondContact CA-O 3.48Å; D211-N233 PolarHBondContact N-O 2.86Å; S212-N233 WeakPolarHBondContact CA-O 3.37Å; S212-N233 PolarHBondContact N-O 3.01Å; S212-N233 PolarHBondContact OG-N 3.08Å; S212-N233 PolarHBondContact OG-O 3.41Å; N233-Y236 PolarHBondContact ND2-O 3.16Å; N233-T238 PolarHBondContact ND2-OG1 2.7Å; N233-E254 WeakPolarHBondContact CA-OE1 3.35Å; N233-E254 PolarHBondContact ND2-OE1 2.9Å
234	V	96.3	Very high	94.6	Very high	73 Å²	73	43.9 Å²	43.9	44%	0.442	24%	0.236	S	C	.	.	S	Bend	trans	-133.8	-30.2	-172.3	-69.8	0	0	0	0	113.5	S212 V232 E254	S212-V234 WeakPolarHBondContact OG-CG1 3.18Å; V232-V234 HydrophobicContact CG1-CG2 4.17Å; V234-E254 VanDerWaalsContact CG2-OE2 3.22Å; V234-E254 WeakPolarHBondContact CG2-OE2 3.47Å; V234-E254 PolarHBondContact N-OE1 3.2Å
235	E	93.5	Very high	94.1	Very high	137 Å²	137	42 Å²	42	64%	0.64	23%	0.23	S	C	*	.	S	Bend	trans	-116.5	-39.5	-174.5	-74.2	-177.3	-175.2	0	0	112.5	E254	E235-E254 PolarHBondContact N-OE1 3.37Å
236	Y	92.8	Very high	93.5	Very high	122 Å²	122	39.9 Å²	39.9	48%	0.478	22%	0.219	S	C	.	.	S	Bend	trans	-110.1	145.7	-169.2	-61.4	-80.7	0	0	0	111.4	L210 N233 T238 E254 V279	L210-Y236 WeakPolarHBondContact CD2-O 3.44Å; N233-Y236 PolarHBondContact ND2-O 3.16Å; Y236-T238 PolarHBondContact O-N 2.93Å; Y236-E254 HydrophobicContact CD2-CG 4.12Å; Y236-E254 PolarHBondContact N-OE1 3.22Å; Y236-V279 HydrophobicContact CD2-CG1 4.41Å; Y236-V279 HydrophobicContact CD2-CG2 3.69Å; Y236-V279 HydrophobicContact CE2-CG2 4.07Å; Y236-V279 HydrophobicContact CG-CG1 4.26Å; Y236-V279 HydrophobicContact CG-CG2 4.21Å
237	K	92.7	Very high	93.2	Very high	71 Å²	71	48.4 Å²	48.4	31%	0.309	25%	0.25	S	S	.	.			trans	-62.8	125.1	166.2	176.3	-177.6	171.3	-173.8	0	109.2	N112 T156 S194	N112-K237 PolarHBondContact O-NZ 3.33Å; T156-K237 WeakPolarHBondContact O-CE 3.46Å; T156-K237 PolarHBondContact O-NZ 2.86Å; S194-K237 WeakPolarHBondContact O-CE 3.4Å
238	T	94.3	Very high	93.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.			trans	-124.6	150.1	168.3	66.7	0	0	0	0	109.4	S195 N233 Y236 G252 V279 I280	S195-T238 WeakPolarHBondContact CB-O 3.45Å; N233-T238 PolarHBondContact ND2-OG1 2.7Å; Y236-T238 PolarHBondContact O-N 2.93Å; T238-G252 PolarHBondContact OG1-O 3.11Å; T238-V279 HydrophobicContact CG2-CG1 4.04Å; T238-I280 VanDerWaalsContact CG2-O 3.29Å; T238-I280 WeakPolarHBondContact CG2-O 3.25Å
239	D	96.5	Very high	93	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.037	24%	0.242	C	C	.	.			trans	-84.8	143	175.2	-72.2	-32.1	0	0	0	110.9	R28 G252 S282 I283	R28-D239 IonicContact CZ-OD2 3.54Å; R28-D239 VanDerWaalsContact CZ-OD2 3.28Å; R28-D239 IonicContact NH1-OD2 3.97Å; R28-D239 PolarHBondContact NH1-OD2 3.25Å; R28-D239 IonicContact NH2-OD1 2.84Å; R28-D239 IonicContact NH2-OD2 2.73Å; R28-D239 PolarHBondContact NH2-OD2 2.87Å; D239-G252 PolarHBondContact O-N 3.13Å; D239-G252 VanDerWaalsContact O-N 3.12Å; D239-S282 VanDerWaalsContact OD2-CA 3.3Å; D239-S282 WeakPolarHBondContact OD2-CA 3.39Å; D239-S282 WeakPolarHBondContact OD2-CB 3.4Å; D239-S282 PolarHBondContact OD2-OG 3.09Å; D239-I283 HydrophobicContact CB-CB 4.24Å; D239-I283 PolarHBondContact OD2-N 3.34Å
240	S	96.8	Very high	93	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	163.1	159.6	61.9	0	0	0	0	110.1	N197 S208 V250	N197-S240 PolarHBondContact ND2-O 2.78Å; S208-S240 WeakPolarHBondContact OG-CB 3.47Å; S208-S240 PolarHBondContact OG-OG 2.99Å; S240-V250 CarbonylContact C-O 3.59Å; S240-V250 WeakPolarHBondContact CA-O 3.39Å; S240-V250 WeakPolarHBondContact CB-O 3.33Å
241	S	96.4	Very high	93.2	Very high	26 Å²	26	40.7 Å²	40.7	18%	0.182	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	158.2	175.7	-175.5	0	0	0	0	110.5	V250	S241-V250 PolarHBondContact N-O 3.02Å; S241-V250 WeakPolarHBondContact O-CG1 3.38Å; S241-V250 PolarHBondContact O-N 3.26Å
242	F	95.2	Very high	93.2	Very high	15 Å²	15	40.4 Å²	40.4	7%	0.066	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	150.3	158.6	-63.4	-83.6	0	0	0	110	F198 L206 L216 V249 L263 V285	F198-F242 WeakPolarHBondContact O-CD2 3.41Å; L206-F242 HydrophobicContact CB-CD2 4.26Å; L206-F242 HydrophobicContact CB-CE1 4.47Å; L206-F242 HydrophobicContact CB-CE2 3.46Å; L206-F242 VanDerWaalsContact CB-CE2 3.46Å; L206-F242 HydrophobicContact CB-CZ 3.6Å; L206-F242 HydrophobicContact CD1-CE1 4.41Å; L206-F242 HydrophobicContact CD1-CZ 4.24Å; L206-F242 HydrophobicContact CD2-CD2 4.48Å; L206-F242 HydrophobicContact CD2-CE2 4.4Å; L206-F242 HydrophobicContact CG-CE2 4.42Å; L206-F242 HydrophobicContact CG-CZ 4.37Å; L216-F242 HydrophobicContact CD1-CE1 3.78Å; L216-F242 HydrophobicContact CD1-CZ 3.56Å; F242-V249 HydrophobicContact CD1-CG2 4.16Å; F242-V249 HydrophobicContact CE1-CG2 4.3Å; F242-L263 HydrophobicContact CD1-CD1 4.37Å; F242-L263 HydrophobicContact CE1-CD1 3.89Å; F242-V285 WeakPolarHBondContact O-CG2 3.41Å
243	F	92.3	Very high	93.3	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.013	18%	0.178	C	C	.	.			trans	-70.6	162.9	160	-94.6	-91.3	0	0	0	111.2	M11 S245 D246 Q248 V250 C260 V285 V292	M11-F243 HydrophobicContact CE-CE1 4.27Å; M11-F243 HydrophobicContact CE-CZ 3.6Å; M11-F243 HydrophobicContact SD-CE1 4.17Å; M11-F243 HydrophobicContact SD-CZ 4.09Å; F243-S245 PolarHBondContact O-N 2.96Å; F243-S245 VanDerWaalsContact O-N 3.13Å; F243-D246 PolarHBondContact O-N 2.81Å; F243-D246 VanDerWaalsContact O-N 3.1Å; F243-Q248 HydrophobicContact CB-CB 3.97Å; F243-Q248 HydrophobicContact CD2-CB 3.58Å; F243-Q248 HydrophobicContact CE2-CB 4.37Å; F243-Q248 HydrophobicContact CG-CB 4.03Å; F243-Q248 PolarHBondContact N-O 2.97Å; F243-V250 HydrophobicContact CD2-CB 4.11Å; F243-V250 HydrophobicContact CD2-CG1 4.33Å; F243-V250 HydrophobicContact CE2-CB 3.69Å; F243-V250 HydrophobicContact CE2-CG1 4.18Å; F243-V250 HydrophobicContact CE2-CG2 4.22Å; F243-C260 HydrophobicContact CE2-CB 4.41Å; F243-V285 HydrophobicContact CD1-CG1 4.05Å; F243-V285 HydrophobicContact CG-CG1 4.45Å; F243-V292 HydrophobicContact CE1-CG2 3.53Å; F243-V292 HydrophobicContact CE2-CG2 4.38Å; F243-V292 HydrophobicContact CZ-CG2 3.43Å; F243-V292 VanDerWaalsContact CZ-CG2 3.43Å
244	N	84.2	Confident	93.3	Very high	25 Å²	25	39 Å²	39	13%	0.134	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.1	177.6	64.8	5.6	0	0	0	114.5	K200 D246 P287 E288 I289 E290	K200-N244 VanDerWaalsContact CE-O 3.25Å; K200-N244 WeakPolarHBondContact CE-O 3.2Å; K200-N244 PolarHBondContact NZ-O 3.09Å; N244-D246 VanDerWaalsContact C-N 3.29Å; N244-P287 WeakPolarHBondContact CB-O 3.5Å; N244-E288 PolarHBondContact ND2-O 3.32Å; N244-I289 VanDerWaalsContact ND2-CA 3.34Å; N244-I289 WeakPolarHBondContact ND2-CA 3.46Å; N244-I289 PolarHBondContact ND2-N 2.88Å; N244-I289 PolarHBondContact ND2-O 2.89Å; N244-E290 PolarHBondContact ND2-N 2.82Å
245	S	83.8	Confident	93.2	Very high	45 Å²	45	37.6 Å²	37.6	32%	0.315	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.9	-177.8	59.1	0	0	0	0	112.6	F243 R247	F243-S245 PolarHBondContact O-N 2.96Å; F243-S245 VanDerWaalsContact O-N 3.13Å; S245-R247 PolarHBondContact O-N 2.9Å
246	D	83.6	Confident	93.3	Very high	38 Å²	38	31.2 Å²	31.2	20%	0.203	14%	0.144	C	C	.	.	S	Bend	trans	52.9	17.9	-170.7	-76.1	6.8	0	0	0	113.9	K200 F243 N244 L263	K200-D246 WeakPolarHBondContact CB-OD2 3.45Å; K200-D246 WeakPolarHBondContact CD-OD1 3.42Å; K200-D246 WeakPolarHBondContact CG-OD1 3.41Å; K200-D246 WeakPolarHBondContact CG-OD2 3.42Å; K200-D246 PolarHBondContact N-OD2 2.88Å; K200-D246 VanDerWaalsContact N-OD2 3.1Å; F243-D246 PolarHBondContact O-N 2.81Å; F243-D246 VanDerWaalsContact O-N 3.1Å; N244-D246 VanDerWaalsContact C-N 3.29Å; D246-L263 WeakPolarHBondContact O-CD2 3.44Å
247	R	88.7	Confident	93.4	Very high	189 Å²	189	28.4 Å²	28.4	71%	0.713	14%	0.135	S	C	*	.	S	Bend	trans	-100.2	-12	177	-69.9	176.6	-179.9	-179.4	-0.8	113	S245 L263	S245-R247 PolarHBondContact O-N 2.9Å; R247-L263 WeakPolarHBondContact O-CB 3.49Å; R247-L263 PolarHBondContact O-N 3.1Å
248	Q	93.4	Very high	93.6	Very high	40 Å²	40	25 Å²	25	19%	0.187	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.3	-174	-56.6	173.4	-11.7	0	0	110.8	F243 W261 L269	F243-Q248 HydrophobicContact CB-CB 3.97Å; F243-Q248 HydrophobicContact CD2-CB 3.58Å; F243-Q248 HydrophobicContact CE2-CB 4.37Å; F243-Q248 HydrophobicContact CG-CB 4.03Å; F243-Q248 PolarHBondContact N-O 2.97Å; Q248-W261 CarbonylContact C-O 3.59Å; Q248-W261 WeakPolarHBondContact CA-O 3.31Å; Q248-W261 WeakPolarHBondContact CB-O 3.45Å; Q248-L269 HydrophobicContact CG-CD1 3.72Å
249	V	95.4	Very high	93.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.3	172.1	172.6	0	0	0	0	107.9	L206 I214 F228 F242 C260 W261 L263	L206-V249 HydrophobicContact CD1-CG1 4.01Å; L206-V249 HydrophobicContact CD1-CG2 3.97Å; L206-V249 HydrophobicContact CD2-CG1 3.72Å; L206-V249 HydrophobicContact CD2-CG2 4.44Å; L206-V249 HydrophobicContact CG-CG1 4.47Å; I214-V249 HydrophobicContact CD1-CG1 4.35Å; I214-V249 HydrophobicContact CG2-CG1 4.35Å; F228-V249 HydrophobicContact CE2-CG2 3.99Å; F228-V249 HydrophobicContact CZ-CG2 4.12Å; F242-V249 HydrophobicContact CD1-CG2 4.16Å; F242-V249 HydrophobicContact CE1-CG2 4.3Å; V249-C260 CarbonylContact O-C 3.54Å; V249-C260 VanDerWaalsContact O-CA 3.28Å; V249-C260 WeakPolarHBondContact O-CA 3.43Å; V249-W261 HydrophobicContact CG1-CE3 4.29Å; V249-W261 PolarHBondContact N-O 3.13Å; V249-W261 PolarHBondContact O-N 3.43Å; V249-L263 HydrophobicContact CG2-CD1 3.53Å
250	V	96.3	Very high	93.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.7	176.1	65.6	0	0	0	0	110.8	S240 S241 F243 V258 Y259 I283 V285	S240-V250 CarbonylContact C-O 3.59Å; S240-V250 WeakPolarHBondContact CA-O 3.39Å; S240-V250 WeakPolarHBondContact CB-O 3.33Å; S241-V250 PolarHBondContact N-O 3.02Å; S241-V250 WeakPolarHBondContact O-CG1 3.38Å; S241-V250 PolarHBondContact O-N 3.26Å; F243-V250 HydrophobicContact CD2-CB 4.11Å; F243-V250 HydrophobicContact CD2-CG1 4.33Å; F243-V250 HydrophobicContact CE2-CB 3.69Å; F243-V250 HydrophobicContact CE2-CG1 4.18Å; F243-V250 HydrophobicContact CE2-CG2 4.22Å; V250-V258 HydrophobicContact CG2-CG1 3.26Å; V250-Y259 VanDerWaalsContact CA-O 3.3Å; V250-Y259 WeakPolarHBondContact CA-O 3.21Å; V250-I283 HydrophobicContact CG1-CG2 4.02Å; V250-I283 HydrophobicContact CG2-CD1 4.12Å; V250-I283 HydrophobicContact CG2-CG2 4.41Å; V250-V285 HydrophobicContact CG1-CG2 3.57Å
251	S	96.9	Very high	93.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	148.6	175.1	-168.5	0	0	0	0	112.9	V258 Y259	S251-V258 WeakPolarHBondContact O-CA 3.3Å; S251-Y259 PolarHBondContact N-O 3.22Å; S251-Y259 PolarHBondContact O-N 3.05Å
252	G	96.4	Very high	93.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	146.5	171.6	0	0	0	0	0	110.4	T238 D239	T238-G252 PolarHBondContact OG1-O 3.11Å; D239-G252 PolarHBondContact O-N 3.13Å; D239-G252 VanDerWaalsContact O-N 3.12Å
253	S	97.1	Very high	93.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.			trans	-123.6	150.6	179.7	-174.2	0	0	0	0	111	V232 D255 G256 K257 I280	V232-S253 PolarHBondContact N-OG 2.88Å; V232-S253 WeakPolarHBondContact O-CA 3.31Å; V232-S253 PolarHBondContact O-OG 2.89Å; S253-D255 WeakPolarHBondContact CB-OD1 3.42Å; S253-D255 PolarHBondContact O-N 3Å; S253-D255 PolarHBondContact OG-OD1 2.97Å; S253-G256 PolarHBondContact O-N 3.37Å; S253-K257 WeakPolarHBondContact CB-O 3.16Å; S253-K257 PolarHBondContact N-O 2.75Å; S253-I280 PolarHBondContact O-N 2.82Å
254	E	97	Very high	93.1	Very high	25 Å²	25	34.8 Å²	34.8	12%	0.117	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-23.4	177.1	-69.7	174.2	-166.4	0	0	112.6	V232 N233 V234 E235 Y236 G256 V279	V232-E254 HydrophobicContact CB-CB 4.22Å; V232-E254 HydrophobicContact CG1-CB 3.98Å; V232-E254 PolarHBondContact O-N 3.08Å; N233-E254 WeakPolarHBondContact CA-OE1 3.35Å; N233-E254 PolarHBondContact ND2-OE1 2.9Å; V234-E254 VanDerWaalsContact CG2-OE2 3.22Å; V234-E254 WeakPolarHBondContact CG2-OE2 3.47Å; V234-E254 PolarHBondContact N-OE1 3.2Å; E235-E254 PolarHBondContact N-OE1 3.37Å; Y236-E254 HydrophobicContact CD2-CG 4.12Å; Y236-E254 PolarHBondContact N-OE1 3.22Å; E254-G256 PolarHBondContact O-N 2.98Å; E254-V279 HydrophobicContact CB-CG2 4.12Å; E254-V279 HydrophobicContact CG-CG1 4.02Å; E254-V279 HydrophobicContact CG-CG2 4.11Å; E254-V279 PolarHBondContact O-N 2.77Å
255	D	95.3	Very high	93.2	Very high	44 Å²	44	35.5 Å²	35.5	24%	0.235	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	7	176.9	79.2	-27.5	0	0	0	114.2	V232 S253 K257 Y259	V232-D255 HydrophobicContact CG2-CB 4.38Å; S253-D255 WeakPolarHBondContact CB-OD1 3.42Å; S253-D255 PolarHBondContact O-N 3Å; S253-D255 PolarHBondContact OG-OD1 2.97Å; D255-K257 PolarHBondContact OD1-N 2.84Å; D255-K257 WeakPolarHBondContact OD2-CD 3.31Å; D255-K257 WeakPolarHBondContact OD2-CE 3.5Å; D255-K257 IonicContact OD2-NZ 3.12Å; D255-K257 PolarHBondContact OD2-NZ 3.4Å; D255-Y259 PolarHBondContact OD2-OH 3.37Å
256	G	94.5	Very high	93.5	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.021	19%	0.189	C	C	.	.	S	Bend	trans	75.6	29.4	178.4	0	0	0	0	0	114.9	S253 E254 H274 F278	S253-G256 PolarHBondContact O-N 3.37Å; E254-G256 PolarHBondContact O-N 2.98Å; G256-H274 WeakPolarHBondContact O-CB 3.27Å; G256-H274 PolarHBondContact O-N 2.83Å; G256-F278 WeakPolarHBondContact CA-O 3.24Å
257	K	95.9	Very high	93.9	Very high	63 Å²	63	42.3 Å²	42.3	27%	0.274	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	157.7	171.8	-57.7	-179.5	-165.8	128.2	0	111.5	S253 D255 Y259 L272 N273 I280	S253-K257 WeakPolarHBondContact CB-O 3.16Å; S253-K257 PolarHBondContact N-O 2.75Å; D255-K257 PolarHBondContact OD1-N 2.84Å; D255-K257 WeakPolarHBondContact OD2-CD 3.31Å; D255-K257 WeakPolarHBondContact OD2-CE 3.5Å; D255-K257 IonicContact OD2-NZ 3.12Å; D255-K257 PolarHBondContact OD2-NZ 3.4Å; K257-Y259 HydrophobicContact CB-CD2 4.11Å; K257-Y259 HydrophobicContact CB-CE2 3.74Å; K257-Y259 HydrophobicContact CD-CE2 4.22Å; K257-L272 WeakPolarHBondContact CA-O 3.34Å; K257-N273 VanDerWaalsContact CD-OD1 3.31Å; K257-N273 WeakPolarHBondContact CD-OD1 3.34Å; K257-N273 WeakPolarHBondContact CE-OD1 3.28Å; K257-N273 WeakPolarHBondContact CG-OD1 3.34Å; K257-I280 WeakPolarHBondContact O-CG1 3.14Å
258	V	96.5	Very high	94	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.8	163.6	176.8	0	0	0	0	107.9	V250 S251 T271 L272 I280 I283	V250-V258 HydrophobicContact CG2-CG1 3.26Å; S251-V258 WeakPolarHBondContact O-CA 3.3Å; V258-T271 CarbonylContact O-C 3.5Å; V258-T271 VanDerWaalsContact O-CA 3.31Å; V258-T271 WeakPolarHBondContact O-CA 3.34Å; V258-L272 HydrophobicContact CB-CB 4.01Å; V258-L272 HydrophobicContact CB-CD1 3.91Å; V258-L272 HydrophobicContact CB-CG 4.06Å; V258-L272 HydrophobicContact CG1-CD1 3.93Å; V258-L272 HydrophobicContact CG1-CG 4.36Å; V258-L272 PolarHBondContact N-O 2.8Å; V258-L272 PolarHBondContact O-N 2.9Å; V258-I280 HydrophobicContact CG2-CG1 4.26Å; V258-I280 HydrophobicContact CG2-CG2 4.08Å; V258-I283 HydrophobicContact CB-CD1 4.42Å; V258-I283 HydrophobicContact CG1-CD1 3.71Å; V258-I283 HydrophobicContact CG2-CD1 3.96Å
259	Y	96.1	Very high	93.9	Very high	25 Å²	25	37.2 Å²	37.2	10%	0.098	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.3	179	-76.7	-108.4	0	0	0	109.6	G230 H231 V250 S251 D255 K257 W261 V268 T271	G230-Y259 VanDerWaalsContact O-CE1 3.27Å; G230-Y259 WeakPolarHBondContact O-CE1 3.36Å; G230-Y259 VanDerWaalsContact O-CZ 3.27Å; G230-Y259 PolarHBondContact O-OH 2.93Å; G230-Y259 VanDerWaalsContact O-OH 3.06Å; H231-Y259 HydrophobicContact CB-CD1 4.27Å; H231-Y259 HydrophobicContact CB-CD2 3.52Å; H231-Y259 HydrophobicContact CB-CE1 4.5Å; H231-Y259 HydrophobicContact CB-CE2 3.81Å; H231-Y259 HydrophobicContact CB-CG 3.78Å; V250-Y259 VanDerWaalsContact CA-O 3.3Å; V250-Y259 WeakPolarHBondContact CA-O 3.21Å; S251-Y259 PolarHBondContact N-O 3.22Å; S251-Y259 PolarHBondContact O-N 3.05Å; D255-Y259 PolarHBondContact OD2-OH 3.37Å; K257-Y259 HydrophobicContact CB-CD2 4.11Å; K257-Y259 HydrophobicContact CB-CE2 3.74Å; K257-Y259 HydrophobicContact CD-CE2 4.22Å; Y259-W261 VanDerWaalsContact CB-CZ2 3.46Å; Y259-W261 VanDerWaalsContact CB-CZ3 3.48Å; Y259-W261 HydrophobicContact CD1-CZ2 4.06Å; Y259-W261 HydrophobicContact CG-CH2 4.01Å; Y259-W261 HydrophobicContact CG-CZ2 4Å; Y259-W261 VanDerWaalsContact O-CZ3 3.25Å; Y259-W261 WeakPolarHBondContact O-CZ3 3.31Å; Y259-V268 HydrophobicContact CD1-CG1 4.19Å; Y259-V268 HydrophobicContact CD1-CG2 4.23Å; Y259-T271 HydrophobicContact CD1-CG2 3.7Å; Y259-T271 HydrophobicContact CE1-CG2 3.78Å; Y259-T271 HydrophobicContact CG-CG2 4.12Å
260	C	95.3	Very high	93.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123.8	174.8	-54.4	0	0	0	0	109.3	F243 V249 V268 L269 C270	F243-C260 HydrophobicContact CE2-CB 4.41Å; V249-C260 CarbonylContact O-C 3.54Å; V249-C260 VanDerWaalsContact O-CA 3.28Å; V249-C260 WeakPolarHBondContact O-CA 3.43Å; C260-V268 CarbonylContact O-C 3.57Å; C260-V268 WeakPolarHBondContact O-CA 3.43Å; C260-L269 PolarHBondContact O-N 2.96Å; C260-C270 VanDerWaalsContact CB-SG 3.58Å; C260-C270 PolarHBondContact N-O 2.96Å; C260-C270 PolarHBondContact O-N 3.08Å
261	W	95.3	Very high	93.6	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	150.8	179.6	-61.5	-98.7	0	0	0	111.2	I214 F228 T229 H231 Q248 V249 Y259 E267 V268	I214-W261 HydrophobicContact CD1-CE3 4.27Å; I214-W261 HydrophobicContact CD1-CH2 3.63Å; I214-W261 HydrophobicContact CD1-CZ2 4.49Å; I214-W261 HydrophobicContact CD1-CZ3 3.52Å; F228-W261 HydrophobicContact CB-CD2 4.03Å; F228-W261 HydrophobicContact CB-CG 4.08Å; F228-W261 HydrophobicContact CD1-CB 3.66Å; F228-W261 AromaticContact CD1-CG 3.84Å; F228-W261 HydrophobicContact CD1-CG 3.84Å; F228-W261 HydrophobicContact CE1-CB 4.12Å; F228-W261 HydrophobicContact CG-CB 4.39Å; F228-W261 HydrophobicContact CG-CG 4.26Å; T229-W261 PolarHBondContact O-NE1 2.75Å; H231-W261 HydrophobicContact CB-CH2 3.86Å; H231-W261 HydrophobicContact CB-CZ2 4.01Å; H231-W261 AromaticContact CG-CH2 3.74Å; H231-W261 AromaticContact ND1-CH2 3.6Å; H231-W261 AromaticContact ND1-CZ2 3.66Å; Q248-W261 CarbonylContact C-O 3.59Å; Q248-W261 WeakPolarHBondContact CA-O 3.31Å; Q248-W261 WeakPolarHBondContact CB-O 3.45Å; V249-W261 HydrophobicContact CG1-CE3 4.29Å; V249-W261 PolarHBondContact N-O 3.13Å; V249-W261 PolarHBondContact O-N 3.43Å; Y259-W261 VanDerWaalsContact CB-CZ2 3.46Å; Y259-W261 VanDerWaalsContact CB-CZ3 3.48Å; Y259-W261 HydrophobicContact CD1-CZ2 4.06Å; Y259-W261 HydrophobicContact CG-CH2 4.01Å; Y259-W261 HydrophobicContact CG-CZ2 4Å; Y259-W261 VanDerWaalsContact O-CZ3 3.25Å; Y259-W261 WeakPolarHBondContact O-CZ3 3.31Å; W261-E267 WeakPolarHBondContact CA-O 3.45Å; W261-V268 HydrophobicContact CG-CG2 4.47Å
262	N	93.3	Very high	93.4	Very high	44 Å²	44	41.7 Å²	41.7	24%	0.235	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	127	162.3	-172.7	-40.3	0	0	0	108.9	L264 G265 K266 E267 L269	N262-L264 VanDerWaalsContact C-N 3.31Å; N262-L264 PolarHBondContact O-N 2.89Å; N262-L264 PolarHBondContact OD1-N 3.35Å; N262-G265 PolarHBondContact OD1-N 2.89Å; N262-G265 VanDerWaalsContact OD1-N 3.08Å; N262-K266 WeakPolarHBondContact O-CA 3.48Å; N262-K266 PolarHBondContact O-N 3.35Å; N262-E267 HydrophobicContact CB-CG 4.15Å; N262-E267 PolarHBondContact N-O 3.22Å; N262-L269 HydrophobicContact CB-CD1 3.89Å; N262-L269 HydrophobicContact CB-CD2 4Å; N262-L269 HydrophobicContact CB-CG 3.87Å
263	L	92.3	Very high	93.3	Very high	33 Å²	33	46.3 Å²	46.3	17%	0.173	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-41.6	-178.7	-173	75.9	0	0	0	112.1	L216 F228 F242 D246 R247 V249	L216-L263 HydrophobicContact CD1-CD1 4.32Å; L216-L263 HydrophobicContact CD2-CD1 3.98Å; L216-L263 HydrophobicContact CD2-CG 4.49Å; F228-L263 HydrophobicContact CE2-CD1 4.45Å; F228-L263 HydrophobicContact CZ-CD1 3.94Å; F242-L263 HydrophobicContact CD1-CD1 4.37Å; F242-L263 HydrophobicContact CE1-CD1 3.89Å; D246-L263 WeakPolarHBondContact O-CD2 3.44Å; R247-L263 WeakPolarHBondContact O-CB 3.49Å; R247-L263 PolarHBondContact O-N 3.1Å; V249-L263 HydrophobicContact CG2-CD1 3.53Å
264	L	87.4	Confident	93.1	Very high	155 Å²	155	47 Å²	47	81%	0.812	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-45.1	-177.9	-64.7	175.1	0	0	0	111.8	N262	N262-L264 VanDerWaalsContact C-N 3.31Å; N262-L264 PolarHBondContact O-N 2.89Å; N262-L264 PolarHBondContact OD1-N 3.35Å
265	G	87.6	Confident	92.6	Very high	40 Å²	40	50 Å²	50	41%	0.412	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-20.3	-175.4	0	0	0	0	0	114.1	N262 E267	N262-G265 PolarHBondContact OD1-N 2.89Å; N262-G265 VanDerWaalsContact OD1-N 3.08Å; G265-E267 PolarHBondContact O-N 3.42Å
266	K	88.8	Confident	92.2	Very high	108 Å²	108	50.6 Å²	50.6	47%	0.47	28%	0.278	S	S	.	.			trans	61.8	-8.2	-175.4	-44.3	-179.9	-170.7	-153.7	0	115.2	T226 F228 N262	T226-K266 WeakPolarHBondContact OG1-CD 3.43Å; T226-K266 WeakPolarHBondContact OG1-CE 3.25Å; T226-K266 PolarHBondContact OG1-NZ 2.8Å; F228-K266 HydrophobicContact CD1-CB 4.45Å; F228-K266 HydrophobicContact CE1-CB 4.43Å; F228-K266 HydrophobicContact CE1-CG 4.46Å; N262-K266 WeakPolarHBondContact O-CA 3.48Å; N262-K266 PolarHBondContact O-N 3.35Å
267	E	91.8	Very high	92	Very high	118 Å²	118	55.2 Å²	55.2	55%	0.551	31%	0.308	S	S	*	.	S	Bend	trans	-69.7	144	175.7	63.7	-164.9	-176.3	0	0	111.6	W261 N262 G265 L269	W261-E267 WeakPolarHBondContact CA-O 3.45Å; N262-E267 HydrophobicContact CB-CG 4.15Å; N262-E267 PolarHBondContact N-O 3.22Å; G265-E267 PolarHBondContact O-N 3.42Å; E267-L269 HydrophobicContact CG-CD2 4.5Å; E267-L269 PolarHBondContact O-N 3.16Å
268	V	92.4	Very high	91.9	Very high	65 Å²	65	55.9 Å²	55.9	39%	0.394	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	111.7	171.6	178.9	0	0	0	0	107.9	Y259 C260 W261 T271	Y259-V268 HydrophobicContact CD1-CG1 4.19Å; Y259-V268 HydrophobicContact CD1-CG2 4.23Å; C260-V268 CarbonylContact O-C 3.57Å; C260-V268 WeakPolarHBondContact O-CA 3.43Å; W261-V268 HydrophobicContact CG-CG2 4.47Å; V268-T271 HydrophobicContact CG1-CG2 3.88Å
269	L	91	Very high	91.9	Very high	57 Å²	57	57.6 Å²	57.6	30%	0.298	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-43.8	177.5	-69.3	174	0	0	0	111.1	Q248 C260 N262 E267	Q248-L269 HydrophobicContact CG-CD1 3.72Å; C260-L269 PolarHBondContact O-N 2.96Å; N262-L269 HydrophobicContact CB-CD1 3.89Å; N262-L269 HydrophobicContact CB-CD2 4Å; N262-L269 HydrophobicContact CB-CG 3.87Å; E267-L269 HydrophobicContact CG-CD2 4.5Å; E267-L269 PolarHBondContact O-N 3.16Å
270	C	91.1	Very high	91.9	Very high	31 Å²	31	56.4 Å²	56.4	21%	0.209	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	159.8	178.2	66.6	0	0	0	0	112	C260	C260-C270 VanDerWaalsContact CB-SG 3.58Å; C260-C270 PolarHBondContact N-O 2.96Å; C260-C270 PolarHBondContact O-N 3.08Å
271	T	93.3	Very high	91.9	Very high	57 Å²	57	57.6 Å²	57.6	35%	0.35	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.1	169.6	49.6	0	0	0	0	109	V258 Y259 V268	V258-T271 CarbonylContact O-C 3.5Å; V258-T271 VanDerWaalsContact O-CA 3.31Å; V258-T271 WeakPolarHBondContact O-CA 3.34Å; Y259-T271 HydrophobicContact CD1-CG2 3.7Å; Y259-T271 HydrophobicContact CE1-CG2 3.78Å; Y259-T271 HydrophobicContact CG-CG2 4.12Å; V268-T271 HydrophobicContact CG1-CG2 3.88Å
272	L	93.9	Very high	92	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.031	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.5	174.7	-38.3	174.6	0	0	0	107.5	M11 K257 V258 W303	M11-L272 HydrophobicContact CB-CD2 3.8Å; M11-L272 HydrophobicContact CE-CD1 3.46Å; M11-L272 VanDerWaalsContact CE-CD1 3.46Å; M11-L272 HydrophobicContact CE-CD2 4.01Å; M11-L272 HydrophobicContact CE-CG 4.26Å; K257-L272 WeakPolarHBondContact CA-O 3.34Å; V258-L272 HydrophobicContact CB-CB 4.01Å; V258-L272 HydrophobicContact CB-CD1 3.91Å; V258-L272 HydrophobicContact CB-CG 4.06Å; V258-L272 HydrophobicContact CG1-CD1 3.93Å; V258-L272 HydrophobicContact CG1-CG 4.36Å; V258-L272 PolarHBondContact N-O 2.8Å; V258-L272 PolarHBondContact O-N 2.9Å; L272-W303 HydrophobicContact CB-CD2 4.05Å; L272-W303 HydrophobicContact CB-CE3 3.91Å; L272-W303 HydrophobicContact CB-CH2 4.03Å; L272-W303 HydrophobicContact CB-CZ2 4.16Å; L272-W303 HydrophobicContact CB-CZ3 3.89Å; L272-W303 HydrophobicContact CD1-CB 3.99Å; L272-W303 HydrophobicContact CD1-CD2 3.72Å; L272-W303 HydrophobicContact CD1-CE3 4.14Å; L272-W303 HydrophobicContact CD1-CG 3.61Å; L272-W303 HydrophobicContact CD2-CE3 4.34Å; L272-W303 HydrophobicContact CG-CD2 4.37Å; L272-W303 HydrophobicContact CG-CE3 4.35Å
273	N	93.4	Very high	92.2	Very high	97 Å²	97	55.7 Å²	55.7	52%	0.519	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.9	-177.6	-61.8	-61.5	0	0	0	109.3	K257 W303	K257-N273 VanDerWaalsContact CD-OD1 3.31Å; K257-N273 WeakPolarHBondContact CD-OD1 3.34Å; K257-N273 WeakPolarHBondContact CE-OD1 3.28Å; K257-N273 WeakPolarHBondContact CG-OD1 3.34Å; N273-W303 WeakPolarHBondContact O-CH2 3.4Å
274	H	91.8	Very high	92.4	Very high	15 Å²	15	54.9 Å²	54.9	7%	0.069	31%	0.313	C	S	.	.			trans	-70.6	153.2	173.4	-78.3	-120.5	0	0	0	110.5	G256 V276 I280 S294 Y301 W303	G256-H274 WeakPolarHBondContact O-CB 3.27Å; G256-H274 PolarHBondContact O-N 2.83Å; H274-V276 PolarHBondContact O-N 3.44Å; H274-V276 VanDerWaalsContact O-N 3.08Å; H274-I280 HydrophobicContact CB-CD1 4.39Å; H274-I280 WeakPolarHBondContact NE2-CD1 3.3Å; H274-S294 PolarHBondContact CE1-OG 3.42Å; H274-S294 PolarHBondContact NE2-OG 3.37Å; H274-S294 VanDerWaalsContact NE2-OG 3.13Å; H274-Y301 AromaticContact CE1-CD2 3.31Å; H274-Y301 WeakPolarHBondContact CE1-CD2 3.42Å; H274-Y301 AromaticContact CE1-CG 3.7Å; H274-Y301 AromaticContact ND1-CD2 3.21Å; H274-Y301 WeakPolarHBondContact ND1-CD2 3.39Å; H274-Y301 AromaticContact ND1-CE2 3.45Å; H274-Y301 WeakPolarHBondContact ND1-CE2 3.27Å; H274-Y301 AromaticContact ND1-CG 3.69Å; H274-W303 AromaticContact CD2-CZ2 3.63Å; H274-W303 AromaticContact CE1-CZ2 3.99Å; H274-W303 AromaticContact NE2-CE2 3.94Å; H274-W303 AromaticContact NE2-CZ2 3.52Å; H274-W303 AromaticContact NE2-NE1 3.77Å
275	P	88.5	Confident	92.9	Very high	88 Å²	88	48.4 Å²	48.4	57%	0.571	28%	0.28	S	S	*	.	S	Bend	trans	-61.5	-17.6	177.8	-24.3	34.7	0	0	0	114.3	Y301	P275-Y301 HydrophobicContact CG-CE1 3.86Å
276	V	86.1	Confident	93.3	Very high	56 Å²	56	47 Å²	47	34%	0.339	26%	0.263	S	S	.	.	S	Bend	trans	-135.9	130.3	-178.6	-157.4	0	0	0	0	108.9	H274 F278	H274-V276 PolarHBondContact O-N 3.44Å; H274-V276 VanDerWaalsContact O-N 3.08Å; V276-F278 VanDerWaalsContact C-N 3.26Å; V276-F278 HydrophobicContact CB-CD2 4.04Å; V276-F278 HydrophobicContact CB-CE2 4.48Å; V276-F278 HydrophobicContact CG1-CD2 3.32Å; V276-F278 HydrophobicContact CG1-CE2 3.32Å; V276-F278 PolarHBondContact O-N 2.96Å
277	P	89.3	Confident	93.5	Very high	99 Å²	99	44.1 Å²	44.1	64%	0.643	26%	0.255	S	S	*	.			trans	-81.7	66.9	-173.2	33.9	-37.5	0	0	0	111.7
278	F	95.1	Very high	93.4	Very high	78 Å²	78	45.6 Å²	45.6	34%	0.342	26%	0.262	S	S	.	.			trans	-118.6	155.2	173.4	-73.5	-77.2	0	0	0	111	G256 V276 I280 C296 R297	G256-F278 WeakPolarHBondContact CA-O 3.24Å; V276-F278 VanDerWaalsContact C-N 3.26Å; V276-F278 HydrophobicContact CB-CD2 4.04Å; V276-F278 HydrophobicContact CB-CE2 4.48Å; V276-F278 HydrophobicContact CG1-CD2 3.32Å; V276-F278 HydrophobicContact CG1-CE2 3.32Å; V276-F278 PolarHBondContact O-N 2.96Å; F278-I280 PolarHBondContact O-N 3.03Å; F278-C296 PolarHBondContact O-SG 3.37Å; F278-R297 HydrophobicContact CB-CG 4.03Å; F278-R297 HydrophobicContact CD2-CG 4.38Å; F278-R297 VanDerWaalsContact CE2-NH2 3.3Å; F278-R297 HydrophobicContact CG-CG 4.13Å
279	V	96	Very high	93.2	Very high	36 Å²	36	45.9 Å²	45.9	22%	0.218	26%	0.261	C	S	.	.			trans	-43.9	127.7	180	-174	0	0	0	0	112.8	Y236 T238 E254 A281	Y236-V279 HydrophobicContact CD2-CG1 4.41Å; Y236-V279 HydrophobicContact CD2-CG2 3.69Å; Y236-V279 HydrophobicContact CE2-CG2 4.07Å; Y236-V279 HydrophobicContact CG-CG1 4.26Å; Y236-V279 HydrophobicContact CG-CG2 4.21Å; T238-V279 HydrophobicContact CG2-CG1 4.04Å; E254-V279 HydrophobicContact CB-CG2 4.12Å; E254-V279 HydrophobicContact CG-CG1 4.02Å; E254-V279 HydrophobicContact CG-CG2 4.11Å; E254-V279 PolarHBondContact O-N 2.77Å; V279-A281 PolarHBondContact O-N 3.27Å
280	I	97.1	Very high	93.1	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	97.2	169.8	-51.7	-50.9	0	0	0	108.5	T238 S253 K257 V258 H274 F278 I283 A295 C296	T238-I280 VanDerWaalsContact CG2-O 3.29Å; T238-I280 WeakPolarHBondContact CG2-O 3.25Å; S253-I280 PolarHBondContact O-N 2.82Å; K257-I280 WeakPolarHBondContact O-CG1 3.14Å; V258-I280 HydrophobicContact CG2-CG1 4.26Å; V258-I280 HydrophobicContact CG2-CG2 4.08Å; H274-I280 HydrophobicContact CB-CD1 4.39Å; H274-I280 WeakPolarHBondContact NE2-CD1 3.3Å; F278-I280 PolarHBondContact O-N 3.03Å; I280-I283 HydrophobicContact CG2-CD1 4.28Å; I280-I283 HydrophobicContact CG2-CG1 3.96Å; I280-A295 CarbonylContact C-O 3.57Å; I280-A295 WeakPolarHBondContact CA-O 3.49Å; I280-C296 HydrophobicContact CD1-CB 3.72Å
281	A	94.7	Very high	93.2	Very high	26 Å²	26	44.5 Å²	44.5	22%	0.215	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	-33.8	-171.8	0	0	0	0	0	113	V279 A295	V279-A281 PolarHBondContact O-N 3.27Å; A281-A295 PolarHBondContact N-O 3.13Å
282	S	97.7	Very high	93.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	146.4	-173.9	-175.7	0	0	0	0	112	V27 R28 D239 S294 A295	V27-S282 PolarHBondContact N-OG 2.59Å; V27-S282 VanDerWaalsContact N-OG 3.14Å; V27-S282 PolarHBondContact O-OG 3.04Å; R28-S282 PolarHBondContact NH1-OG 3.43Å; R28-S282 VanDerWaalsContact NH1-OG 3.13Å; D239-S282 VanDerWaalsContact OD2-CA 3.3Å; D239-S282 WeakPolarHBondContact OD2-CA 3.39Å; D239-S282 WeakPolarHBondContact OD2-CB 3.4Å; D239-S282 PolarHBondContact OD2-OG 3.09Å; S282-S294 CarbonylContact O-C 3.59Å; S282-S294 WeakPolarHBondContact O-CA 3.4Å; S282-A295 PolarHBondContact O-N 3.24Å
283	I	97.1	Very high	93.5	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143	177.5	-64.6	-168	0	0	0	108.6	R28 D239 V250 V258 I280 V292 L293	R28-I283 PolarHBondContact NH1-O 2.87Å; R28-I283 VanDerWaalsContact NH1-O 3.09Å; D239-I283 HydrophobicContact CB-CB 4.24Å; D239-I283 PolarHBondContact OD2-N 3.34Å; V250-I283 HydrophobicContact CG1-CG2 4.02Å; V250-I283 HydrophobicContact CG2-CD1 4.12Å; V250-I283 HydrophobicContact CG2-CG2 4.41Å; V258-I283 HydrophobicContact CB-CD1 4.42Å; V258-I283 HydrophobicContact CG1-CD1 3.71Å; V258-I283 HydrophobicContact CG2-CD1 3.96Å; I280-I283 HydrophobicContact CG2-CD1 4.28Å; I280-I283 HydrophobicContact CG2-CG1 3.96Å; I283-V292 HydrophobicContact CG2-CG1 3.65Å; I283-L293 CarbonylContact C-O 3.54Å; I283-L293 WeakPolarHBondContact CA-O 3.37Å
284	S	97.3	Very high	93.7	Very high	16 Å²	16	36.9 Å²	36.9	11%	0.112	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	123.3	168.9	-175.8	0	0	0	0	110.2	V27 F29 L293	V27-S284 WeakPolarHBondContact O-CB 3.47Å; F29-S284 WeakPolarHBondContact CE2-O 3.25Å; F29-S284 PolarHBondContact N-OG 2.91Å; S284-L293 PolarHBondContact N-O 3.39Å; S284-L293 PolarHBondContact O-N 2.9Å
285	V	96.4	Very high	94	Very high	20 Å²	20	36.2 Å²	36.2	12%	0.121	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	138.5	175.9	-178.2	0	0	0	0	109.1	F242 F243 V250 V292	F242-V285 WeakPolarHBondContact O-CG2 3.41Å; F243-V285 HydrophobicContact CD1-CG1 4.05Å; F243-V285 HydrophobicContact CG-CG1 4.45Å; V250-V285 HydrophobicContact CG1-CG2 3.57Å; V285-V292 HydrophobicContact CG2-CG2 4.26Å
286	H	95.9	Very high	94.4	Very high	9 Å²	9	32.1 Å²	32.1	4%	0.042	18%	0.177	C	C	.	.			trans	-67.1	139.3	174.8	-172.9	-68.4	0	0	0	110.6	F29 G33 E288 I289 C291	F29-H286 HydrophobicContact CD2-CB 4.11Å; F29-H286 AromaticContact CE1-CD2 3.82Å; F29-H286 HydrophobicContact CE2-CB 3.74Å; F29-H286 HydrophobicContact CZ-CB 3.99Å; F29-H286 AromaticContact CZ-CD2 3.96Å; G33-H286 WeakPolarHBondContact CA-NE2 3.34Å; G33-H286 PolarHBondContact O-CD2 2.96Å; G33-H286 PolarHBondContact O-NE2 3.33Å; H286-E288 PolarHBondContact ND1-N 2.9Å; H286-E288 PolarHBondContact O-N 2.82Å; H286-I289 HydrophobicContact CB-CG1 4.28Å; H286-I289 WeakPolarHBondContact ND1-CG1 3.33Å; H286-I289 PolarHBondContact ND1-N 3.08Å; H286-C291 HydrophobicContact CB-CB 3.66Å; H286-C291 WeakPolarHBondContact CB-O 3.46Å; H286-C291 PolarHBondContact N-O 3.48Å
287	P	92.8	Very high	94.8	Very high	48 Å²	48	36.2 Å²	36.2	31%	0.312	19%	0.187	S	C	.	.	S	Bend	trans	-61.1	-39	-174.5	20.4	-33.1	0	0	0	114.4	A31 N244	A31-P287 WeakPolarHBondContact O-CG 3.31Å; N244-P287 WeakPolarHBondContact CB-O 3.5Å
288	E	89.7	Confident	95	Very high	150 Å²	150	32.2 Å²	32.2	70%	0.701	16%	0.164	S	C	*	.	S	Bend	trans	-111	-38	-170.1	-58.7	-173.5	160.5	0	0	116.4	N244 H286	N244-E288 PolarHBondContact ND2-O 3.32Å; H286-E288 PolarHBondContact ND1-N 2.9Å; H286-E288 PolarHBondContact O-N 2.82Å
289	I	89.8	Confident	95.1	Very high	71 Å²	71	30.6 Å²	30.6	36%	0.364	16%	0.158	S	C	.	.	S	Bend	trans	-112	157.7	-176.8	60.6	163.3	0	0	0	112.4	N244 H286 C291	N244-I289 VanDerWaalsContact ND2-CA 3.34Å; N244-I289 WeakPolarHBondContact ND2-CA 3.46Å; N244-I289 PolarHBondContact ND2-N 2.88Å; N244-I289 PolarHBondContact ND2-O 2.89Å; H286-I289 HydrophobicContact CB-CG1 4.28Å; H286-I289 WeakPolarHBondContact ND1-CG1 3.33Å; H286-I289 PolarHBondContact ND1-N 3.08Å; I289-C291 VanDerWaalsContact C-N 3.27Å; I289-C291 HydrophobicContact CD1-CB 3.93Å; I289-C291 HydrophobicContact CG1-CB 3.83Å; I289-C291 PolarHBondContact O-N 3.05Å
290	E	89.2	Confident	95.2	Very high	59 Å²	59	28.9 Å²	28.9	28%	0.276	15%	0.148	S	C	.	.	S	Bend	trans	-69.8	83.8	176	-71.2	-171.2	161	0	0	111.1	N244 N305	N244-E290 PolarHBondContact ND2-N 2.82Å; E290-N305 HydrophobicContact CB-CB 4.1Å; E290-N305 PolarHBondContact O-N 3.24Å; E290-N305 PolarHBondContact OE2-ND2 3.26Å
291	C	93	Very high	95.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	136.3	-173	174.3	0	0	0	0	109.3	H286 I289 L302 W303 K304	H286-C291 HydrophobicContact CB-CB 3.66Å; H286-C291 WeakPolarHBondContact CB-O 3.46Å; H286-C291 PolarHBondContact N-O 3.48Å; I289-C291 VanDerWaalsContact C-N 3.27Å; I289-C291 HydrophobicContact CD1-CB 3.93Å; I289-C291 HydrophobicContact CG1-CB 3.83Å; I289-C291 PolarHBondContact O-N 3.05Å; C291-L302 WeakPolarHBondContact SG-CD1 3.43Å; C291-W303 CarbonylContact C-O 3.52Å; C291-W303 VanDerWaalsContact CA-O 3.25Å; C291-W303 WeakPolarHBondContact CA-O 3.33Å; C291-K304 HydrophobicContact CB-CG 4.25Å
292	V	96	Very high	95.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133.8	-175.6	-179	0	0	0	0	110	M11 F243 I283 V285 W303	M11-V292 HydrophobicContact CE-CB 4.26Å; M11-V292 HydrophobicContact CE-CG2 3.81Å; M11-V292 HydrophobicContact SD-CG2 4.07Å; F243-V292 HydrophobicContact CE1-CG2 3.53Å; F243-V292 HydrophobicContact CE2-CG2 4.38Å; F243-V292 HydrophobicContact CZ-CG2 3.43Å; F243-V292 VanDerWaalsContact CZ-CG2 3.43Å; I283-V292 HydrophobicContact CG2-CG1 3.65Å; V285-V292 HydrophobicContact CG2-CG2 4.26Å; V292-W303 HydrophobicContact CB-CB 4.46Å; V292-W303 PolarHBondContact N-O 2.8Å; V292-W303 PolarHBondContact O-N 2.98Å
293	L	97.5	Very high	95.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140.9	163.8	-70.9	168.1	0	0	0	109.2	V27 F29 C36 P50 I283 S284 V300 Y301 L302	V27-L293 HydrophobicContact CG1-CB 4.16Å; V27-L293 HydrophobicContact CG2-CB 3.86Å; V27-L293 HydrophobicContact CG2-CD1 3.8Å; V27-L293 HydrophobicContact CG2-CG 4.35Å; F29-L293 HydrophobicContact CD1-CD1 3.8Å; F29-L293 HydrophobicContact CD2-CD1 3.8Å; F29-L293 HydrophobicContact CD2-CG 4.24Å; F29-L293 HydrophobicContact CE1-CD1 3.53Å; F29-L293 HydrophobicContact CE1-CG 4.07Å; F29-L293 HydrophobicContact CE2-CB 4.13Å; F29-L293 HydrophobicContact CE2-CD1 3.52Å; F29-L293 HydrophobicContact CE2-CG 3.53Å; F29-L293 HydrophobicContact CG-CD1 3.94Å; F29-L293 HydrophobicContact CZ-CB 4.49Å; F29-L293 HydrophobicContact CZ-CD1 3.39Å; F29-L293 HydrophobicContact CZ-CD2 4.36Å; F29-L293 HydrophobicContact CZ-CG 3.43Å; F29-L293 VanDerWaalsContact CZ-CG 3.43Å; C36-L293 HydrophobicContact CB-CD1 3.37Å; P50-L293 HydrophobicContact CB-CD2 4.2Å; I283-L293 CarbonylContact C-O 3.54Å; I283-L293 WeakPolarHBondContact CA-O 3.37Å; S284-L293 PolarHBondContact N-O 3.39Å; S284-L293 PolarHBondContact O-N 2.9Å; L293-V300 HydrophobicContact CB-CG1 4.32Å; L293-V300 HydrophobicContact CD2-CG1 3.65Å; L293-V300 HydrophobicContact CG-CG1 4.5Å; L293-Y301 WeakPolarHBondContact CA-O 3.25Å; L293-L302 HydrophobicContact CD2-CB 4.03Å; L293-L302 HydrophobicContact CD2-CD1 3.57Å; L293-L302 HydrophobicContact CD2-CG 4.42Å; L293-L302 HydrophobicContact CG-CD1 4.08Å
294	S	97.7	Very high	94.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	134.7	175.8	53.5	0	0	0	0	109.9	H274 S282 V300 Y301 W303	H274-S294 PolarHBondContact CE1-OG 3.42Å; H274-S294 PolarHBondContact NE2-OG 3.37Å; H274-S294 VanDerWaalsContact NE2-OG 3.13Å; S282-S294 CarbonylContact O-C 3.59Å; S282-S294 WeakPolarHBondContact O-CA 3.4Å; S294-V300 CarbonylContact O-C 3.29Å; S294-V300 WeakPolarHBondContact O-CA 3.23Å; S294-Y301 PolarHBondContact N-O 3.26Å; S294-Y301 PolarHBondContact O-N 2.95Å; S294-Y301 PolarHBondContact OG-O 2.83Å; S294-W303 PolarHBondContact OG-NE1 2.78Å
295	A	97.3	Very high	94.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.2	179.9	0	0	0	0	0	110.3	V24 V27 I280 A281 S282 V300	V24-A295 HydrophobicContact CB-CB 4.16Å; V24-A295 HydrophobicContact CG1-CB 3.74Å; V27-A295 HydrophobicContact CB-CB 4.33Å; V27-A295 HydrophobicContact CG1-CB 3.9Å; I280-A295 CarbonylContact C-O 3.57Å; I280-A295 WeakPolarHBondContact CA-O 3.49Å; A281-A295 PolarHBondContact N-O 3.13Å; S282-A295 PolarHBondContact O-N 3.24Å; A295-V300 HydrophobicContact CB-CG2 4.09Å
296	C	96.2	Very high	93.1	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.02	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	121.1	175.2	-179.8	0	0	0	0	108.9	F278 I280 G298 N299 Y301	F278-C296 PolarHBondContact O-SG 3.37Å; I280-C296 HydrophobicContact CD1-CB 3.72Å; C296-G298 PolarHBondContact O-N 2.86Å; C296-N299 PolarHBondContact N-O 3.18Å; C296-N299 PolarHBondContact O-N 3.36Å; C296-N299 VanDerWaalsContact O-N 3.11Å; C296-N299 VanDerWaalsContact O-O 3.13Å; C296-Y301 HydrophobicContact CB-CD2 4.45Å; C296-Y301 HydrophobicContact CB-CE2 4.01Å
297	R	94.4	Very high	91.7	Very high	141 Å²	141	35.1 Å²	35.1	53%	0.532	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	-123.5	-172.1	-65.5	-178.7	149.4	-168.5	-9.1	111.1	A23 V24 F278	A23-R297 CarbonylContact C-O 3.57Å; A23-R297 WeakPolarHBondContact CA-O 3.21Å; V24-R297 PolarHBondContact N-O 3.43Å; F278-R297 HydrophobicContact CB-CG 4.03Å; F278-R297 HydrophobicContact CD2-CG 4.38Å; F278-R297 VanDerWaalsContact CE2-NH2 3.3Å; F278-R297 HydrophobicContact CG-CG 4.13Å
298	G	94.6	Very high	90	Very high	16 Å²	16	35 Å²	35	17%	0.165	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	5.2	-178	0	0	0	0	0	115.5	C19 N22 C296	C19-G298 WeakPolarHBondContact CB-O 3.42Å; C19-G298 PolarHBondContact N-O 2.84Å; C19-G298 VanDerWaalsContact N-O 3.16Å; N22-G298 WeakPolarHBondContact O-CA 3.36Å; N22-G298 PolarHBondContact O-N 3.29Å; C296-G298 PolarHBondContact O-N 2.86Å
299	N	96.7	Very high	88.3	Confident	43 Å²	43	31.9 Å²	31.9	23%	0.23	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	151.5	-174.5	-64.1	-29.2	0	0	0	111.5	T16 L17 C296 Y301	T16-N299 HydrophobicContact CG2-CB 4.31Å; L17-N299 VanDerWaalsContact O-CA 3.3Å; L17-N299 WeakPolarHBondContact O-CA 3.3Å; C296-N299 PolarHBondContact N-O 3.18Å; C296-N299 PolarHBondContact O-N 3.36Å; C296-N299 VanDerWaalsContact O-N 3.11Å; C296-N299 VanDerWaalsContact O-O 3.13Å; N299-Y301 HydrophobicContact CB-CD2 4.4Å; N299-Y301 HydrophobicContact CB-CE2 3.62Å; N299-Y301 PolarHBondContact ND2-OH 3.03Å
300	V	97.5	Very high	86.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.8	167.3	166.9	0	0	0	0	109	T16 L17 V24 V27 T38 L293 S294 A295	T16-V300 CarbonylContact C-O 3.54Å; T16-V300 WeakPolarHBondContact CA-O 3.49Å; L17-V300 HydrophobicContact CB-CB 4.13Å; L17-V300 PolarHBondContact N-O 2.85Å; L17-V300 PolarHBondContact O-N 3.31Å; V24-V300 HydrophobicContact CG1-CG2 3.95Å; V27-V300 HydrophobicContact CB-CG2 4.06Å; V27-V300 HydrophobicContact CG2-CG1 3.86Å; V27-V300 HydrophobicContact CG2-CG2 4.1Å; T38-V300 HydrophobicContact CG2-CG2 3.78Å; L293-V300 HydrophobicContact CB-CG1 4.32Å; L293-V300 HydrophobicContact CD2-CG1 3.65Å; L293-V300 HydrophobicContact CG-CG1 4.5Å; S294-V300 CarbonylContact O-C 3.29Å; S294-V300 WeakPolarHBondContact O-CA 3.23Å; A295-V300 HydrophobicContact CB-CG2 4.09Å
301	Y	96.7	Very high	83.6	Confident	9 Å²	9	39.5 Å²	39.5	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.8	-177.3	-60.4	-94.7	0	0	0	109.2	L13 T16 H274 P275 L293 S294 C296 N299	L13-Y301 HydrophobicContact CD1-CD1 3.83Å; L13-Y301 HydrophobicContact CD1-CG 4.33Å; L13-Y301 HydrophobicContact CD2-CD1 4.21Å; T16-Y301 HydrophobicContact CG2-CD1 3.96Å; T16-Y301 HydrophobicContact CG2-CE1 3.64Å; H274-Y301 AromaticContact CE1-CD2 3.31Å; H274-Y301 WeakPolarHBondContact CE1-CD2 3.42Å; H274-Y301 AromaticContact CE1-CG 3.7Å; H274-Y301 AromaticContact ND1-CD2 3.21Å; H274-Y301 WeakPolarHBondContact ND1-CD2 3.39Å; H274-Y301 AromaticContact ND1-CE2 3.45Å; H274-Y301 WeakPolarHBondContact ND1-CE2 3.27Å; H274-Y301 AromaticContact ND1-CG 3.69Å; P275-Y301 HydrophobicContact CG-CE1 3.86Å; L293-Y301 WeakPolarHBondContact CA-O 3.25Å; S294-Y301 PolarHBondContact N-O 3.26Å; S294-Y301 PolarHBondContact O-N 2.95Å; S294-Y301 PolarHBondContact OG-O 2.83Å; C296-Y301 HydrophobicContact CB-CD2 4.45Å; C296-Y301 HydrophobicContact CB-CE2 4.01Å; N299-Y301 HydrophobicContact CB-CD2 4.4Å; N299-Y301 HydrophobicContact CB-CE2 3.62Å; N299-Y301 PolarHBondContact ND2-OH 3.03Å
302	L	96.6	Very high	83.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.3	177.3	-179.6	71.7	0	0	0	109.9	V14 A15 F29 P50 C291 L293 K304	V14-L302 PolarHBondContact N-O 3.31Å; A15-L302 HydrophobicContact CB-CB 3.92Å; A15-L302 HydrophobicContact CB-CD2 4Å; A15-L302 PolarHBondContact N-O 2.94Å; A15-L302 PolarHBondContact O-N 3.47Å; F29-L302 HydrophobicContact CZ-CD1 4.15Å; P50-L302 HydrophobicContact CB-CD2 4.46Å; P50-L302 WeakPolarHBondContact O-CD2 3.18Å; C291-L302 WeakPolarHBondContact SG-CD1 3.43Å; L293-L302 HydrophobicContact CD2-CB 4.03Å; L293-L302 HydrophobicContact CD2-CD1 3.57Å; L293-L302 HydrophobicContact CD2-CG 4.42Å; L293-L302 HydrophobicContact CG-CD1 4.08Å; L302-K304 HydrophobicContact CG-CG 4.49Å
303	W	95.1	Very high	82.5	Confident	12 Å²	12	43.7 Å²	43.7	5%	0.045	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.5	178.3	-50.1	90.9	0	0	0	109.1	M11 K12 L13 L272 N273 H274 C291 V292 S294	M11-W303 HydrophobicContact CB-CB 4.42Å; M11-W303 HydrophobicContact CE-CB 4.34Å; M11-W303 HydrophobicContact SD-CB 4.26Å; K12-W303 VanDerWaalsContact O-CA 3.31Å; K12-W303 WeakPolarHBondContact O-CA 3.07Å; L13-W303 HydrophobicContact CB-CE3 3.89Å; L13-W303 HydrophobicContact CB-CH2 4.12Å; L13-W303 HydrophobicContact CB-CZ3 3.62Å; L13-W303 HydrophobicContact CD1-CD2 4.37Å; L13-W303 HydrophobicContact CD1-CE3 4.43Å; L13-W303 HydrophobicContact CD1-CH2 4.3Å; L13-W303 HydrophobicContact CD1-CZ2 4.23Å; L13-W303 HydrophobicContact CD1-CZ3 4.41Å; L272-W303 HydrophobicContact CB-CD2 4.05Å; L272-W303 HydrophobicContact CB-CE3 3.91Å; L272-W303 HydrophobicContact CB-CH2 4.03Å; L272-W303 HydrophobicContact CB-CZ2 4.16Å; L272-W303 HydrophobicContact CB-CZ3 3.89Å; L272-W303 HydrophobicContact CD1-CB 3.99Å; L272-W303 HydrophobicContact CD1-CD2 3.72Å; L272-W303 HydrophobicContact CD1-CE3 4.14Å; L272-W303 HydrophobicContact CD1-CG 3.61Å; L272-W303 HydrophobicContact CD2-CE3 4.34Å; L272-W303 HydrophobicContact CG-CD2 4.37Å; L272-W303 HydrophobicContact CG-CE3 4.35Å; N273-W303 WeakPolarHBondContact O-CH2 3.4Å; H274-W303 AromaticContact CD2-CZ2 3.63Å; H274-W303 AromaticContact CE1-CZ2 3.99Å; H274-W303 AromaticContact NE2-CE2 3.94Å; H274-W303 AromaticContact NE2-CZ2 3.52Å; H274-W303 AromaticContact NE2-NE1 3.77Å; C291-W303 CarbonylContact C-O 3.52Å; C291-W303 VanDerWaalsContact CA-O 3.25Å; C291-W303 WeakPolarHBondContact CA-O 3.33Å; V292-W303 HydrophobicContact CB-CB 4.46Å; V292-W303 PolarHBondContact N-O 2.8Å; V292-W303 PolarHBondContact O-N 2.98Å; S294-W303 PolarHBondContact OG-NE1 2.78Å
304	K	92.3	Very high	81.6	Confident	35 Å²	35	46.1 Å²	46.1	15%	0.152	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.2	173.5	-62.1	-173.1	171.8	-174.7	0	110.5	M11 K12 V14 H51 C291 L302 A306	M11-K304 CarbonylContact C-O 3.56Å; M11-K304 VanDerWaalsContact CA-O 3.25Å; M11-K304 WeakPolarHBondContact CA-O 3.25Å; K12-K304 PolarHBondContact N-O 2.86Å; K12-K304 PolarHBondContact O-N 2.75Å; V14-K304 HydrophobicContact CG2-CB 3.76Å; V14-K304 HydrophobicContact CG2-CD 4.21Å; V14-K304 HydrophobicContact CG2-CG 3.92Å; H51-K304 PolarHBondContact ND1-NZ 2.91Å; C291-K304 HydrophobicContact CB-CG 4.25Å; L302-K304 HydrophobicContact CG-CG 4.49Å; K304-A306 PolarHBondContact O-N 2.75Å
305	N	85.3	Confident	80.7	Confident	17 Å²	17	48.8 Å²	48.8	9%	0.091	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	135.5	167.4	-170.8	-6.9	0	0	0	110.3	A9 E290 D307 A308	A9-N305 VanDerWaalsContact CB-CG 3.48Å; A9-N305 WeakPolarHBondContact CB-ND2 3.13Å; E290-N305 HydrophobicContact CB-CB 4.1Å; E290-N305 PolarHBondContact O-N 3.24Å; E290-N305 PolarHBondContact OE2-ND2 3.26Å; N305-D307 PolarHBondContact O-N 3.3Å; N305-D307 PolarHBondContact OD1-N 3.44Å; N305-A308 PolarHBondContact O-N 3.45Å; N305-A308 VanDerWaalsContact O-N 3.15Å
306	A	71.4	Confident	79.6	Confident	20 Å²	20	51.9 Å²	51.9	17%	0.165	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-59.7	-31.7	-177.4	0	0	0	0	0	112.8	K12 K304 A308 L309	K12-A306 HydrophobicContact CD-CB 3.99Å; K12-A306 HydrophobicContact CG-CB 4.4Å; K304-A306 PolarHBondContact O-N 2.75Å; A306-A308 VanDerWaalsContact C-N 3.29Å; A306-A308 PolarHBondContact O-N 3.15Å; A306-L309 WeakPolarHBondContact O-CB 3.46Å; A306-L309 PolarHBondContact O-N 3.31Å
307	D	66.1	Low	78.5	Confident	113 Å²	113	55.1 Å²	55.1	60%	0.604	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-70.2	-29.2	-179.5	-60.8	-25.3	0	0	0	111.9	N305 L309 V310	N305-D307 PolarHBondContact O-N 3.3Å; N305-D307 PolarHBondContact OD1-N 3.44Å; D307-L309 PolarHBondContact O-N 3.4Å; D307-V310 PolarHBondContact O-N 3.44Å
308	A	57.7	Low	77.4	Confident	47 Å²	47	49 Å²	49	39%	0.388	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-75.8	-4.6	176.4	0	0	0	0	0	113.7	N305 A306	N305-A308 PolarHBondContact O-N 3.45Å; N305-A308 VanDerWaalsContact O-N 3.15Å; A306-A308 VanDerWaalsContact C-N 3.29Å; A306-A308 PolarHBondContact O-N 3.15Å
309	L	53.6	Low	76.1	Confident	84 Å²	84	51.5 Å²	51.5	44%	0.44	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-87.2	-7.7	175.9	-69.6	167.1	0	0	0	113.1	V14 A306 D307	V14-L309 HydrophobicContact CG1-CD2 3.98Å; V14-L309 HydrophobicContact CG2-CD1 4.1Å; V14-L309 HydrophobicContact CG2-CD2 3.85Å; V14-L309 HydrophobicContact CG2-CG 4.43Å; A306-L309 WeakPolarHBondContact O-CB 3.46Å; A306-L309 PolarHBondContact O-N 3.31Å; D307-L309 PolarHBondContact O-N 3.4Å
310	V	42.5	Very low	74.4	Confident	131 Å²	131	52.3 Å²	52.3	79%	0.794	32%	0.319	S	S	*	.			trans	-100.7	-6.2	-174.3	-172.2	0	0	0	0	112.7	D307	D307-V310 PolarHBondContact O-N 3.44Å
311	S	37.5	Very low	72.3	Confident	159 Å²	159	57 Å²	57	100%	1.112	35%	0.348	S	S	*	.			trans	-93.7	0	172.5	64.4	0	0	0	0	112.5

Retrieved 311 of 311 residues in 128.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).