A0A077ZC13_TRITR Loading...

Ribosome biogenesis protein WDR12 homolog

AlphaFold DB , UniProt , Accession A0A077ZC13, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	57	Low	238 Å²	238	180.5 Å²	180.5	100%	1.172	83%	0.832	S	S	*	*				0	92.7	0	-92.7	-176.2	-99.8	0	0	107.4	F3	M1-F3 PolarHBondContact O-N 3.49Å
2	E	41.9	Very low	58.3	Low	193 Å²	193	179.1 Å²	179.1	90%	0.902	81%	0.814	S	S	*	*			trans	-63.5	119.1	169.6	-77.3	175.3	133.9	0	0	107.5	N4	E2-N4 PolarHBondContact O-N 2.84Å
3	F	45.3	Very low	59.9	Low	203 Å²	203	172.6 Å²	172.6	89%	0.89	80%	0.797	S	S	*	*			trans	-57.4	108	165.9	-90.9	-97.7	0	0	0	106.3	M1 R5	M1-F3 PolarHBondContact O-N 3.49Å; F3-R5 PolarHBondContact O-N 3.33Å
4	N	49.8	Very low	61.3	Low	154 Å²	154	164 Å²	164	82%	0.824	76%	0.757	S	S	*	*			trans	-52.2	98.1	166.4	-99.1	-35	0	0	0	106.3	E2 L6	E2-N4 PolarHBondContact O-N 2.84Å; N4-L6 PolarHBondContact O-N 3.21Å
5	R	54.2	Low	62.9	Low	233 Å²	233	155.5 Å²	155.5	88%	0.879	72%	0.721	S	S	*	*			trans	-59.7	87.8	160.2	-85.2	-179.9	172.9	174.8	-2.4	104.1	F3 R7	F3-R5 PolarHBondContact O-N 3.33Å; R5-R7 VanDerWaalsContact C-N 3.3Å; R5-R7 PolarHBondContact O-N 3.16Å
6	L	54.7	Low	64.1	Low	148 Å²	148	148.8 Å²	148.8	78%	0.775	71%	0.707	S	S	*	*			trans	-40	112.3	147.9	-80.5	157.7	0	0	0	103.5	N4 S8	N4-L6 PolarHBondContact O-N 3.21Å; L6-S8 PolarHBondContact O-N 3.07Å; L6-S8 PolarHBondContact O-OG 2.91Å
7	R	56.9	Low	65.3	Low	238 Å²	238	148.2 Å²	148.2	90%	0.898	70%	0.704	S	S	*	*			trans	-69.5	66.6	178.3	-77.5	-176.4	171.3	-179	-2.3	106.6	R5 K9	R5-R7 VanDerWaalsContact C-N 3.3Å; R5-R7 PolarHBondContact O-N 3.16Å; R7-K9 VanDerWaalsContact C-N 3.3Å; R7-K9 PolarHBondContact O-N 2.8Å
8	S	62.7	Low	66.3	Low	72 Å²	72	141.4 Å²	141.4	50%	0.503	68%	0.68	S	S	.	*			trans	-62.5	100.6	168.3	-48.7	0	0	0	0	104.5	L6 F10	L6-S8 PolarHBondContact O-N 3.07Å; L6-S8 PolarHBondContact O-OG 2.91Å; S8-F10 VanDerWaalsContact O-CD2 3.3Å; S8-F10 WeakPolarHBondContact O-CD2 3.27Å; S8-F10 PolarHBondContact O-N 3.34Å; S8-F10 VanDerWaalsContact O-N 3.12Å
9	K	73.3	Confident	67.5	Low	181 Å²	181	135.8 Å²	135.8	79%	0.787	65%	0.653	S	S	*	*			trans	-72.6	103.7	170.1	-73.9	-175.4	177.6	-178.7	0	105.8	R7 I11	R7-K9 VanDerWaalsContact C-N 3.3Å; R7-K9 PolarHBondContact O-N 2.8Å; K9-I11 PolarHBondContact O-N 2.99Å
10	F	72.3	Confident	68.6	Low	194 Å²	194	137 Å²	137	85%	0.851	66%	0.657	S	S	*	*			trans	-73.7	120.3	168.6	-63.1	-83	0	0	0	107.4	S8	S8-F10 VanDerWaalsContact O-CD2 3.3Å; S8-F10 WeakPolarHBondContact O-CD2 3.27Å; S8-F10 PolarHBondContact O-N 3.34Å; S8-F10 VanDerWaalsContact O-N 3.12Å
11	I	79.3	Confident	69.7	Low	131 Å²	131	136 Å²	136	67%	0.672	65%	0.652	S	S	*	*			trans	-114.9	130.3	179.4	-61	166.5	0	0	0	106	K9 T13	K9-I11 PolarHBondContact O-N 2.99Å; I11-T13 PolarHBondContact O-N 2.83Å; I11-T13 VanDerWaalsContact O-N 3.15Å
12	R	73.1	Confident	72.4	Confident	164 Å²	164	127.9 Å²	127.9	62%	0.619	62%	0.619	S	S	*	*			trans	-67.8	110.4	169.1	-173.6	-174.2	179.1	-171.2	4.5	107.3	V74	R12-V74 HydrophobicContact CB-CG2 4.01Å; R12-V74 HydrophobicContact CG-CG1 4.06Å; R12-V74 HydrophobicContact CG-CG2 4.01Å; R12-V74 WeakPolarHBondContact O-CG1 3.48Å; R12-V74 VanDerWaalsContact O-CG2 3.27Å; R12-V74 WeakPolarHBondContact O-CG2 3.29Å
13	T	78.8	Confident	75	Confident	95 Å²	95	122 Å²	122	58%	0.583	60%	0.596	S	S	*	*			trans	-86.5	-40.5	-174	50.2	0	0	0	0	112.8	I11 V74	I11-T13 PolarHBondContact O-N 2.83Å; I11-T13 VanDerWaalsContact O-N 3.15Å; T13-V74 WeakPolarHBondContact O-CG1 3.22Å
14	H	80.2	Confident	77.3	Confident	52 Å²	52	116 Å²	116	24%	0.241	57%	0.573	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.4	156.9	-176.8	-60.9	-60.6	0	0	0	113.1	A49 S51 V74 A75 I77	H14-A49 PolarHBondContact CD2-O 2.98Å; H14-A49 VanDerWaalsContact CD2-O 3.31Å; H14-S51 PolarHBondContact CE1-OG 2.98Å; H14-V74 VanDerWaalsContact CA-CG1 3.43Å; H14-V74 VanDerWaalsContact N-CG1 3.33Å; H14-A75 WeakPolarHBondContact CA-O 3.34Å; H14-I77 HydrophobicContact CB-CD1 4.21Å; H14-I77 HydrophobicContact CB-CG1 4.41Å; H14-I77 HydrophobicContact CB-CG2 4.14Å
15	V	84.2	Confident	79.3	Confident	36 Å²	36	109.3 Å²	109.3	22%	0.218	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.2	169.2	-170.5	0	0	0	0	109	Q17 V74 A75 T76 I77	V15-Q17 PolarHBondContact O-N 2.99Å; V15-V74 HydrophobicContact CG2-CB 3.9Å; V15-V74 HydrophobicContact CG2-CG1 3.7Å; V15-A75 PolarHBondContact N-O 2.9Å; V15-T76 CarbonylContact O-C 3.58Å; V15-T76 VanDerWaalsContact O-CA 3.27Å; V15-T76 WeakPolarHBondContact O-CA 3.39Å; V15-I77 PolarHBondContact O-N 2.95Å
16	G	81.9	Confident	81.3	Confident	49 Å²	49	103.3 Å²	103.3	51%	0.505	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	121.8	171.5	0	0	0	0	0	110.9	I77	G16-I77 WeakPolarHBondContact CA-O 3.41Å
17	Q	84.6	Confident	83.1	Confident	138 Å²	138	97.3 Å²	97.3	65%	0.645	50%	0.497	S	S	*	.			trans	-121.5	124.7	170	-171.8	171.8	4.3	0	0	109	V15 T76 I77	V15-Q17 PolarHBondContact O-N 2.99Å; Q17-T76 HydrophobicContact CB-CG2 3.75Å; Q17-I77 PolarHBondContact N-O 3.36Å
18	G	84	Confident	84.8	Confident	27 Å²	27	89.4 Å²	89.4	28%	0.278	48%	0.478	S	S	.	.			trans	165.1	-13.2	179.8	0	0	0	0	0	116.6	K45	G18-K45 WeakPolarHBondContact O-CE 3.43Å; G18-K45 PolarHBondContact O-NZ 3.48Å
19	H	88.4	Confident	86.2	Confident	35 Å²	35	86.1 Å²	86.1	16%	0.162	46%	0.455	C	S	.	.			trans	-77.5	140.6	164.5	-81.4	-78.6	0	0	0	110.2	E21 V23 T37 D41 W47	H19-E21 WeakPolarHBondContact CB-O 3.27Å; H19-V23 HydrophobicContact CB-CG2 3.96Å; H19-V23 WeakPolarHBondContact CD2-CG2 3.42Å; H19-T37 WeakPolarHBondContact NE2-CB 3.2Å; H19-T37 PolarHBondContact NE2-OG1 2.89Å; H19-D41 WeakPolarHBondContact CA-OD2 3.29Å; H19-D41 IonicContact CE1-OD1 3.8Å; H19-D41 IonicContact CE1-OD2 3.84Å; H19-D41 IonicContact CG-OD2 3.96Å; H19-D41 VanDerWaalsContact ND1-CG 3.26Å; H19-D41 IonicContact ND1-OD1 2.74Å; H19-D41 PolarHBondContact ND1-OD1 2.81Å; H19-D41 VanDerWaalsContact ND1-OD1 3.07Å; H19-D41 IonicContact ND1-OD2 3.24Å; H19-D41 PolarHBondContact ND1-OD2 3.23Å; H19-W47 AromaticContact CD2-CZ2 3.9Å
20	E	89.2	Confident	86.8	Confident	158 Å²	158	82.5 Å²	82.5	74%	0.738	46%	0.459	S	S	*	.	S	Bend	trans	-85.4	-20.7	178.6	-63.3	-179.6	175.4	0	0	111.7	D41	E20-D41 HydrophobicContact CB-CB 4.41Å; E20-D41 PolarHBondContact N-OD2 2.97Å
21	E	93.2	Very high	87.4	Confident	117 Å²	117	76 Å²	76	55%	0.547	45%	0.447	S	S	.	.	S	Bend	trans	-133.9	-175.3	-178	-76.5	-73.5	171.7	0	0	111	H19 V23 L40 D41	H19-E21 WeakPolarHBondContact CB-O 3.27Å; E21-V23 PolarHBondContact O-N 3.44Å; E21-L40 HydrophobicContact CB-CB 3.71Å; E21-L40 HydrophobicContact CG-CB 4.46Å; E21-D41 HydrophobicContact CB-CB 4.07Å; E21-D41 HydrophobicContact CG-CB 4.48Å
22	S	93.3	Very high	87.6	Confident	68 Å²	68	71.4 Å²	71.4	48%	0.476	43%	0.432	S	S	.	.			trans	-60.9	132.8	-178.3	-58.2	0	0	0	0	112.9	G39 L40	S22-G39 CarbonylContact O-C 3.58Å; S22-G39 WeakPolarHBondContact O-CA 3.32Å; S22-L40 PolarHBondContact O-N 3.42Å
23	V	94.6	Very high	88.3	Confident	70 Å²	70	66 Å²	66	42%	0.424	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.1	170.2	-173.9	0	0	0	0	108.9	H19 E21 V26	H19-V23 HydrophobicContact CB-CG2 3.96Å; H19-V23 WeakPolarHBondContact CD2-CG2 3.42Å; E21-V23 PolarHBondContact O-N 3.44Å; V23-V26 HydrophobicContact CG1-CG1 3.77Å
24	L	94	Very high	88.9	Confident	76 Å²	76	65.3 Å²	65.3	40%	0.398	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-30.4	-176.9	-64.6	-177	0	0	0	112.6	G38 L40 R89	L24-G38 PolarHBondContact N-O 3.31Å; L24-L40 HydrophobicContact CD1-CD2 3.75Å; L24-L40 HydrophobicContact CD1-CG 4.07Å; L24-L40 HydrophobicContact CD2-CG 4.33Å; L24-L40 HydrophobicContact CG-CD2 4.43Å; L24-L40 HydrophobicContact CG-CG 4.23Å; L24-R89 HydrophobicContact CD1-CB 4.15Å; L24-R89 HydrophobicContact CD1-CG 4.34Å
25	C	93.4	Very high	89.5	Confident	14 Å²	14	65.6 Å²	65.6	10%	0.095	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	144.5	-176.8	59.7	0	0	0	0	111.2	T37 G38 G92 T93	C25-T37 WeakPolarHBondContact O-CA 3.44Å; C25-G38 PolarHBondContact N-O 2.74Å; C25-G38 VanDerWaalsContact N-O 3.13Å; C25-G38 PolarHBondContact O-N 3.13Å; C25-G38 VanDerWaalsContact SG-CA 3.6Å; C25-G92 VanDerWaalsContact SG-C 3.54Å; C25-T93 HydrophobicContact CB-CG2 3.91Å; C25-T93 VanDerWaalsContact SG-CG2 3.59Å
26	V	94.6	Very high	90	Very high	106 Å²	106	63.9 Å²	63.9	64%	0.642	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.8	144.3	178	-56.2	0	0	0	0	108.8	V23 A36 T37	V23-V26 HydrophobicContact CG1-CG1 3.77Å; V26-A36 CarbonylContact C-O 3.58Å; V26-A36 WeakPolarHBondContact CA-O 3.34Å; V26-T37 HydrophobicContact CB-CG2 4.25Å; V26-T37 HydrophobicContact CG1-CG2 3.79Å
27	S	94.1	Very high	90.7	Very high	23 Å²	23	62.2 Å²	62.2	16%	0.161	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	148.1	172.5	67.5	0	0	0	0	111.1	L35 A36 T93 W95	S27-L35 CarbonylContact O-C 3.51Å; S27-L35 WeakPolarHBondContact O-CA 3.45Å; S27-A36 PolarHBondContact N-O 3.47Å; S27-A36 PolarHBondContact O-N 2.77Å; S27-T93 WeakPolarHBondContact CB-O 3.49Å; S27-W95 PolarHBondContact O-NE1 2.82Å; S27-W95 PolarHBondContact OG-NE1 3.05Å
28	S	92.6	Very high	91.2	Very high	72 Å²	72	55.6 Å²	55.6	50%	0.503	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	149.8	171.8	59.2	0	0	0	0	110.4	R34	S28-R34 WeakPolarHBondContact CA-O 3.12Å
29	N	91.3	Very high	91.7	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.016	33%	0.334	C	S	.	.			trans	-65.9	168.4	165.7	65.3	-21.3	0	0	0	110.8	G31 G32 S33 R34 W95 E98	N29-G31 VanDerWaalsContact C-N 3.26Å; N29-G31 PolarHBondContact O-N 3.1Å; N29-G32 PolarHBondContact O-N 3.31Å; N29-G32 VanDerWaalsContact OD1-C 3.32Å; N29-G32 VanDerWaalsContact OD1-CA 3.3Å; N29-G32 WeakPolarHBondContact OD1-CA 3.01Å; N29-G32 PolarHBondContact OD1-N 2.87Å; N29-S33 PolarHBondContact ND2-OG 2.75Å; N29-S33 PolarHBondContact OD1-N 2.88Å; N29-R34 PolarHBondContact N-O 3.26Å; N29-R34 PolarHBondContact OD1-N 3.5Å; N29-R34 PolarHBondContact OD1-O 2.87Å; N29-W95 HydrophobicContact CB-CD2 3.78Å; N29-W95 HydrophobicContact CB-CE3 4Å; N29-W95 HydrophobicContact CB-CG 4.11Å; N29-W95 HydrophobicContact CB-CZ2 4.47Å; N29-W95 HydrophobicContact CB-CZ3 4.42Å; N29-E98 PolarHBondContact ND2-OE2 3.09Å
30	A	85.5	Confident	92	Very high	104 Å²	104	55.8 Å²	55.8	86%	0.86	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-34.3	-178	0	0	0	0	0	112	G32 E98	A30-G32 VanDerWaalsContact C-N 3.28Å; A30-G32 PolarHBondContact O-N 2.87Å; A30-E98 PolarHBondContact N-OE1 2.8Å
31	G	84.9	Confident	92.2	Very high	59 Å²	59	49 Å²	49	61%	0.608	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-12.3	174.4	0	0	0	0	0	115.3	N29 S33 E98	N29-G31 VanDerWaalsContact C-N 3.26Å; N29-G31 PolarHBondContact O-N 3.1Å; G31-S33 PolarHBondContact O-N 2.7Å; G31-S33 VanDerWaalsContact O-N 3.16Å; G31-E98 PolarHBondContact N-OE1 3.15Å
32	G	84.4	Confident	92.3	Very high	34 Å²	34	44.8 Å²	44.8	35%	0.351	30%	0.295	S	S	.	.	S	Bend	trans	67.4	5.1	-176.2	0	0	0	0	0	115.1	N29 A30 A49	N29-G32 PolarHBondContact O-N 3.31Å; N29-G32 VanDerWaalsContact OD1-C 3.32Å; N29-G32 VanDerWaalsContact OD1-CA 3.3Å; N29-G32 WeakPolarHBondContact OD1-CA 3.01Å; N29-G32 PolarHBondContact OD1-N 2.87Å; A30-G32 VanDerWaalsContact C-N 3.28Å; A30-G32 PolarHBondContact O-N 2.87Å; G32-A49 WeakPolarHBondContact O-CB 3.2Å
33	S	87.7	Confident	92.4	Very high	49 Å²	49	45.2 Å²	45.2	34%	0.343	29%	0.287	S	S	.	.	S	Bend	trans	-79.7	-25.8	-179.1	58.3	0	0	0	0	113.1	N29 G31 N48 A49	N29-S33 PolarHBondContact ND2-OG 2.75Å; N29-S33 PolarHBondContact OD1-N 2.88Å; G31-S33 PolarHBondContact O-N 2.7Å; G31-S33 VanDerWaalsContact O-N 3.16Å; S33-N48 WeakPolarHBondContact O-CA 3.47Å; S33-A49 PolarHBondContact O-N 3.16Å
34	R	91.4	Very high	92.4	Very high	81 Å²	81	41.9 Å²	41.9	31%	0.306	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143	-177.8	-65.8	-173.2	175.8	-156.5	-0.6	111.4	S28 N29 W47 W95	S28-R34 WeakPolarHBondContact CA-O 3.12Å; N29-R34 PolarHBondContact N-O 3.26Å; N29-R34 PolarHBondContact OD1-N 3.5Å; N29-R34 PolarHBondContact OD1-O 2.87Å; R34-W47 CarbonylContact C-O 3.51Å; R34-W47 VanDerWaalsContact CA-O 3.29Å; R34-W47 WeakPolarHBondContact CA-O 3.35Å; R34-W95 HydrophobicContact CB-CH2 3.68Å; R34-W95 HydrophobicContact CB-CZ2 3.78Å
35	L	92.8	Very high	92.5	Very high	58 Å²	58	38.9 Å²	38.9	30%	0.304	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.6	175.8	-51.4	175.2	0	0	0	108.9	S27 I46 W47 A49	S27-L35 CarbonylContact O-C 3.51Å; S27-L35 WeakPolarHBondContact O-CA 3.45Å; L35-I46 CarbonylContact O-C 3.51Å; L35-I46 VanDerWaalsContact O-CA 3.3Å; L35-I46 WeakPolarHBondContact O-CA 3.26Å; L35-W47 HydrophobicContact CB-CB 4.19Å; L35-W47 HydrophobicContact CB-CG 4.49Å; L35-W47 PolarHBondContact N-O 3.43Å; L35-W47 PolarHBondContact O-N 2.87Å; L35-A49 HydrophobicContact CD1-CB 4.36Å; L35-A49 HydrophobicContact CD2-CB 4.37Å; L35-A49 HydrophobicContact CG-CB 4.15Å
36	A	95.2	Very high	92.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.1	171.3	0	0	0	0	0	108.5	V26 S27 L44 K45 I46 W95 V101	V26-A36 CarbonylContact C-O 3.58Å; V26-A36 WeakPolarHBondContact CA-O 3.34Å; S27-A36 PolarHBondContact N-O 3.47Å; S27-A36 PolarHBondContact O-N 2.77Å; A36-L44 HydrophobicContact CB-CD1 4.12Å; A36-K45 WeakPolarHBondContact CA-O 3.3Å; A36-I46 HydrophobicContact CB-CD1 3.74Å; A36-W95 HydrophobicContact CB-CZ2 3.79Å; A36-V101 HydrophobicContact CB-CG1 3.88Å; A36-V101 HydrophobicContact CB-CG2 4.15Å
37	T	96	Very high	92.4	Very high	14 Å²	14	33.7 Å²	33.7	9%	0.086	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.1	178.3	64.3	0	0	0	0	110.7	H19 C25 V26 L44 K45 W47	H19-T37 WeakPolarHBondContact NE2-CB 3.2Å; H19-T37 PolarHBondContact NE2-OG1 2.89Å; C25-T37 WeakPolarHBondContact O-CA 3.44Å; V26-T37 HydrophobicContact CB-CG2 4.25Å; V26-T37 HydrophobicContact CG1-CG2 3.79Å; T37-L44 WeakPolarHBondContact O-CA 3.46Å; T37-K45 PolarHBondContact N-O 2.92Å; T37-K45 PolarHBondContact O-N 2.95Å; T37-K45 PolarHBondContact OG1-O 3.07Å; T37-W47 PolarHBondContact OG1-NE1 2.88Å
38	G	95.3	Very high	92.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	148.1	175.6	0	0	0	0	0	110.1	L24 C25	L24-G38 PolarHBondContact N-O 3.31Å; C25-G38 PolarHBondContact N-O 2.74Å; C25-G38 VanDerWaalsContact N-O 3.13Å; C25-G38 PolarHBondContact O-N 3.13Å; C25-G38 VanDerWaalsContact SG-CA 3.6Å
39	G	93.9	Very high	91.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	-176.1	-173.9	0	0	0	0	0	114.5	S22 D41 S42 R89 I90	S22-G39 CarbonylContact O-C 3.58Å; S22-G39 WeakPolarHBondContact O-CA 3.32Å; G39-D41 PolarHBondContact O-N 2.91Å; G39-S42 PolarHBondContact O-N 3.29Å; G39-R89 WeakPolarHBondContact O-CA 3.32Å; G39-I90 PolarHBondContact O-N 3.37Å
40	L	95.1	Very high	91.1	Very high	66 Å²	66	38.9 Å²	38.9	35%	0.346	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.9	172.1	-75	-179.4	0	0	0	112.8	E21 S22 L24 S42 R89	E21-L40 HydrophobicContact CB-CB 3.71Å; E21-L40 HydrophobicContact CG-CB 4.46Å; S22-L40 PolarHBondContact O-N 3.42Å; L24-L40 HydrophobicContact CD1-CD2 3.75Å; L24-L40 HydrophobicContact CD1-CG 4.07Å; L24-L40 HydrophobicContact CD2-CG 4.33Å; L24-L40 HydrophobicContact CG-CD2 4.43Å; L24-L40 HydrophobicContact CG-CG 4.23Å; L40-S42 PolarHBondContact O-N 3.31Å; L40-R89 HydrophobicContact CD2-CB 3.8Å; L40-R89 HydrophobicContact CD2-CG 4.25Å
41	D	94.2	Very high	89.9	Confident	14 Å²	14	35.4 Å²	35.4	8%	0.075	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	1	176.2	63.7	-1.7	0	0	0	113.9	H19 E20 E21 G39 Y43	H19-D41 WeakPolarHBondContact CA-OD2 3.29Å; H19-D41 IonicContact CE1-OD1 3.8Å; H19-D41 IonicContact CE1-OD2 3.84Å; H19-D41 IonicContact CG-OD2 3.96Å; H19-D41 VanDerWaalsContact ND1-CG 3.26Å; H19-D41 IonicContact ND1-OD1 2.74Å; H19-D41 PolarHBondContact ND1-OD1 2.81Å; H19-D41 VanDerWaalsContact ND1-OD1 3.07Å; H19-D41 IonicContact ND1-OD2 3.24Å; H19-D41 PolarHBondContact ND1-OD2 3.23Å; E20-D41 HydrophobicContact CB-CB 4.41Å; E20-D41 PolarHBondContact N-OD2 2.97Å; E21-D41 HydrophobicContact CB-CB 4.07Å; E21-D41 HydrophobicContact CG-CB 4.48Å; G39-D41 PolarHBondContact O-N 2.91Å; D41-Y43 HydrophobicContact CB-CD2 3.92Å; D41-Y43 WeakPolarHBondContact O-CD2 3.4Å; D41-Y43 WeakPolarHBondContact O-CE2 3.5Å; D41-Y43 PolarHBondContact O-N 3.02Å; D41-Y43 VanDerWaalsContact O-N 3.1Å; D41-Y43 PolarHBondContact OD1-N 3.19Å
42	S	94.7	Very high	88.3	Confident	29 Å²	29	37.1 Å²	37.1	20%	0.203	21%	0.211	C	C	.	.			trans	63.9	7.5	178.9	69.1	0	0	0	0	115.6	G39 L40 S88	G39-S42 PolarHBondContact O-N 3.29Å; L40-S42 PolarHBondContact O-N 3.31Å; S42-S88 WeakPolarHBondContact CB-O 3.45Å
43	Y	95.3	Very high	86.5	Confident	78 Å²	78	45 Å²	45	31%	0.306	24%	0.235	S	C	.	.			trans	-95.2	138.1	178.2	-67.6	-68.9	0	0	0	111.5	D41 T82 A84 I90	D41-Y43 HydrophobicContact CB-CD2 3.92Å; D41-Y43 WeakPolarHBondContact O-CD2 3.4Å; D41-Y43 WeakPolarHBondContact O-CE2 3.5Å; D41-Y43 PolarHBondContact O-N 3.02Å; D41-Y43 VanDerWaalsContact O-N 3.1Å; D41-Y43 PolarHBondContact OD1-N 3.19Å; Y43-T82 HydrophobicContact CD1-CG2 3.66Å; Y43-T82 HydrophobicContact CE1-CG2 4.36Å; Y43-T82 HydrophobicContact CG-CG2 3.82Å; Y43-A84 HydrophobicContact CD1-CB 4Å; Y43-A84 HydrophobicContact CE1-CB 3.61Å; Y43-I90 VanDerWaalsContact C-CD1 3.45Å; Y43-I90 WeakPolarHBondContact O-CD1 3.11Å
44	L	94.9	Very high	84.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124	162.8	170.1	63.1	0	0	0	107.9	A36 T37 I46 L83 I90 V101 T103 W113	A36-L44 HydrophobicContact CB-CD1 4.12Å; T37-L44 WeakPolarHBondContact O-CA 3.46Å; L44-I46 HydrophobicContact CD1-CD1 4.14Å; L44-I46 HydrophobicContact CD2-CD1 4.48Å; L44-I46 HydrophobicContact CG-CD1 4.22Å; L44-L83 HydrophobicContact CB-CB 4.25Å; L44-L83 HydrophobicContact CD2-CD1 3.99Å; L44-L83 PolarHBondContact N-O 3.34Å; L44-L83 VanDerWaalsContact N-O 3.13Å; L44-L83 PolarHBondContact O-N 3.16Å; L44-I90 HydrophobicContact CB-CD1 4.02Å; L44-V101 HydrophobicContact CD1-CG1 3.98Å; L44-V101 HydrophobicContact CD2-CB 4.14Å; L44-V101 HydrophobicContact CD2-CG1 3.85Å; L44-T103 HydrophobicContact CB-CG2 4.28Å; L44-T103 HydrophobicContact CD1-CG2 3.92Å; L44-T103 HydrophobicContact CD2-CG2 3.87Å; L44-T103 HydrophobicContact CG-CG2 4.24Å; L44-W113 HydrophobicContact CD2-CB 3.92Å; L44-W113 VanDerWaalsContact CD2-CD1 3.46Å; L44-W113 HydrophobicContact CD2-CD2 3.98Å; L44-W113 HydrophobicContact CD2-CG 3.51Å
45	K	94.7	Very high	81.7	Confident	12 Å²	12	50.2 Å²	50.2	5%	0.052	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.3	177.9	-67.6	179.1	-171.4	-90.9	0	110.6	G18 A36 T37 W47 P79 V81 T82	G18-K45 WeakPolarHBondContact O-CE 3.43Å; G18-K45 PolarHBondContact O-NZ 3.48Å; A36-K45 WeakPolarHBondContact CA-O 3.3Å; T37-K45 PolarHBondContact N-O 2.92Å; T37-K45 PolarHBondContact O-N 2.95Å; T37-K45 PolarHBondContact OG1-O 3.07Å; K45-W47 HydrophobicContact CB-CZ2 3.76Å; K45-W47 HydrophobicContact CD-CH2 4.43Å; K45-W47 HydrophobicContact CD-CZ2 3.95Å; K45-W47 HydrophobicContact CG-CZ2 4.49Å; K45-W47 PolarHBondContact O-NE1 2.91Å; K45-P79 HydrophobicContact CB-CB 4.03Å; K45-P79 HydrophobicContact CD-CB 4.27Å; K45-P79 HydrophobicContact CD-CG 4.23Å; K45-P79 HydrophobicContact CG-CB 4.29Å; K45-V81 WeakPolarHBondContact CA-O 3.14Å; K45-T82 HydrophobicContact CG-CG2 4.19Å; K45-T82 PolarHBondContact NZ-OG1 3.47Å; K45-T82 VanDerWaalsContact NZ-OG1 3.09Å
46	I	93.9	Very high	79.1	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.2	177.3	-51.4	-58.4	0	0	0	109.4	L35 A36 L44 P79 I80 V81 W95 V101 T115	L35-I46 CarbonylContact O-C 3.51Å; L35-I46 VanDerWaalsContact O-CA 3.3Å; L35-I46 WeakPolarHBondContact O-CA 3.26Å; A36-I46 HydrophobicContact CB-CD1 3.74Å; L44-I46 HydrophobicContact CD1-CD1 4.14Å; L44-I46 HydrophobicContact CD2-CD1 4.48Å; L44-I46 HydrophobicContact CG-CD1 4.22Å; I46-P79 CarbonylContact O-C 3.59Å; I46-I80 PolarHBondContact O-N 2.89Å; I46-V81 HydrophobicContact CB-CB 4.18Å; I46-V81 HydrophobicContact CG1-CB 4.37Å; I46-V81 PolarHBondContact N-O 2.84Å; I46-V81 PolarHBondContact O-N 2.94Å; I46-W95 HydrophobicContact CD1-CH2 4.32Å; I46-W95 HydrophobicContact CD1-CZ2 4.29Å; I46-W95 HydrophobicContact CG2-CH2 4.23Å; I46-V101 HydrophobicContact CD1-CG2 4.01Å; I46-T115 HydrophobicContact CD1-CG2 4.09Å; I46-T115 HydrophobicContact CG1-CG2 4.09Å
47	W	92	Very high	76.1	Confident	11 Å²	11	60.7 Å²	60.7	4%	0.042	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	154	-175.6	-38.6	74.3	0	0	0	109.6	H19 R34 L35 T37 K45 I77 P79	H19-W47 AromaticContact CD2-CZ2 3.9Å; R34-W47 CarbonylContact C-O 3.51Å; R34-W47 VanDerWaalsContact CA-O 3.29Å; R34-W47 WeakPolarHBondContact CA-O 3.35Å; L35-W47 HydrophobicContact CB-CB 4.19Å; L35-W47 HydrophobicContact CB-CG 4.49Å; L35-W47 PolarHBondContact N-O 3.43Å; L35-W47 PolarHBondContact O-N 2.87Å; T37-W47 PolarHBondContact OG1-NE1 2.88Å; K45-W47 HydrophobicContact CB-CZ2 3.76Å; K45-W47 HydrophobicContact CD-CH2 4.43Å; K45-W47 HydrophobicContact CD-CZ2 3.95Å; K45-W47 HydrophobicContact CG-CZ2 4.49Å; K45-W47 PolarHBondContact O-NE1 2.91Å; W47-I77 HydrophobicContact CB-CD1 4.35Å; W47-I77 HydrophobicContact CE3-CD1 4.4Å; W47-I77 HydrophobicContact CE3-CG1 4.21Å; W47-P79 HydrophobicContact CD2-CB 4.15Å; W47-P79 HydrophobicContact CE3-CB 4Å; W47-P79 HydrophobicContact CH2-CB 3.96Å; W47-P79 HydrophobicContact CH2-CG 4.1Å; W47-P79 HydrophobicContact CZ2-CB 4.08Å; W47-P79 HydrophobicContact CZ3-CB 3.92Å; W47-P79 HydrophobicContact CZ3-CG 4.16Å; W47-P79 VanDerWaalsContact CZ3-N 3.25Å
48	N	89.2	Confident	73	Confident	62 Å²	62	67 Å²	67	33%	0.332	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.8	163.3	-79.3	-19.3	0	0	0	107.6	S33 D50 I80	S33-N48 WeakPolarHBondContact O-CA 3.47Å; N48-D50 VanDerWaalsContact C-N 3.29Å; N48-D50 VanDerWaalsContact CB-O 3.32Å; N48-D50 WeakPolarHBondContact CB-O 3.5Å; N48-I80 HydrophobicContact CB-CD1 3.95Å; N48-I80 WeakPolarHBondContact ND2-CD1 3.4Å; N48-I80 WeakPolarHBondContact OD1-CD1 3.46Å
49	A	82.6	Confident	70.1	Confident	24 Å²	24	79.1 Å²	79.1	20%	0.198	41%	0.411	C	S	.	.	S	Bend	trans	-68.2	-35.2	172.2	0	0	0	0	0	111.1	H14 G32 S33 L35	H14-A49 PolarHBondContact CD2-O 2.98Å; H14-A49 VanDerWaalsContact CD2-O 3.31Å; G32-A49 WeakPolarHBondContact O-CB 3.2Å; S33-A49 PolarHBondContact O-N 3.16Å; L35-A49 HydrophobicContact CD1-CB 4.36Å; L35-A49 HydrophobicContact CD2-CB 4.37Å; L35-A49 HydrophobicContact CG-CB 4.15Å
50	D	79.6	Confident	67.1	Low	120 Å²	120	83.3 Å²	83.3	64%	0.642	45%	0.446	S	S	*	.	S	Bend	trans	-93.8	109.5	170.7	-65.1	-46.1	0	0	0	109.3	N48	N48-D50 VanDerWaalsContact C-N 3.29Å; N48-D50 VanDerWaalsContact CB-O 3.32Å; N48-D50 WeakPolarHBondContact CB-O 3.5Å
51	S	61.4	Low	64	Low	31 Å²	31	90 Å²	90	22%	0.217	48%	0.475	C	S	.	.			trans	-66.8	139.4	161.3	69.6	0	0	0	0	108.1	H14 K53	H14-S51 PolarHBondContact CE1-OG 2.98Å; S51-K53 PolarHBondContact O-N 3.03Å
52	P	50.3	Low	61.1	Low	96 Å²	96	92.8 Å²	92.8	62%	0.623	51%	0.507	S	S	*	.			trans	-50.1	125	165.7	-20.1	30	0	0	0	108	D54	P52-D54 PolarHBondContact O-N 2.97Å
53	K	47.1	Very low	58.2	Low	198 Å²	198	100.6 Å²	100.6	86%	0.861	54%	0.541	S	S	*	.	S	Bend	trans	-61.9	-2.6	179.7	-78.4	-179.1	175	173.4	0	113.2	S51	S51-K53 PolarHBondContact O-N 3.03Å
54	D	37.6	Very low	55.2	Low	124 Å²	124	103 Å²	103	66%	0.663	57%	0.565	S	S	*	*			trans	-137.1	72.3	-164.3	-58.3	-55.1	0	0	0	112.7	P52	P52-D54 PolarHBondContact O-N 2.97Å
55	V	39.9	Very low	52.3	Low	117 Å²	117	108.1 Å²	108.1	71%	0.709	60%	0.601	S	S	*	*	S	Bend	trans	-132.2	-17	151.6	-174.1	0	0	0	0	111.8	K57	V55-K57 PolarHBondContact O-N 2.91Å
56	A	37.6	Very low	49.6	Very low	102 Å²	102	119.3 Å²	119.3	84%	0.843	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	8.3	178.2	0	0	0	0	0	114.9
57	K	32.3	Very low	46.7	Very low	176 Å²	176	126.2 Å²	126.2	77%	0.765	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-12.1	177.8	-97.4	-171.5	176	-179.1	0	116.2	V55	V55-K57 PolarHBondContact O-N 2.91Å
58	D	32.3	Very low	44.1	Very low	146 Å²	146	130.4 Å²	130.4	78%	0.781	72%	0.717	S	S	*	*	S	Bend	trans	-102.6	4.7	-173.2	-70.6	-7.5	0	0	0	115.1
59	W	32.8	Very low	41.5	Very low	254 Å²	254	135.5 Å²	135.5	96%	0.962	74%	0.736	S	S	*	*	S	Bend	trans	-130.2	64.4	170.5	-99.5	-63.1	0	0	0	112.4
60	A	32	Very low	39.3	Very low	89 Å²	89	140.4 Å²	140.4	74%	0.736	76%	0.763	S	S	*	*			trans	-143.6	51.6	165.5	0	0	0	0	0	112
61	E	30.1	Very low	37.7	Very low	206 Å²	206	140.9 Å²	140.9	96%	0.963	77%	0.771	S	S	*	*	S	Bend	trans	-109.7	100.9	153.1	-77.6	-169.4	165.8	0	0	109.2
62	G	32.6	Very low	37.5	Very low	73 Å²	73	146.5 Å²	146.5	75%	0.753	80%	0.799	S	S	*	*	S	Bend	trans	95.9	64.2	150.7	0	0	0	0	0	118.7
63	Q	33.5	Very low	38.1	Very low	193 Å²	193	148 Å²	148	90%	0.902	81%	0.811	S	S	*	*			trans	-145.5	139.1	139.4	-77.2	-156.4	-11.5	0	0	111.6
64	P	32.2	Very low	39.2	Very low	127 Å²	127	139.8 Å²	139.8	83%	0.825	78%	0.777	S	S	*	*			trans	-79.8	143.5	-167.7	31	-33.7	0	0	0	113.6	R66	P64-R66 PolarHBondContact O-N 2.85Å
65	S	35.5	Very low	41.2	Very low	108 Å²	108	136.3 Å²	136.3	76%	0.755	77%	0.766	S	S	*	*			trans	-58.8	122.2	-174.7	58.8	0	0	0	0	114.3
66	R	37.7	Very low	43.2	Very low	247 Å²	247	134.7 Å²	134.7	93%	0.932	76%	0.757	S	S	*	*			trans	-90.2	114.5	152.1	-158.2	174	-173.6	174.6	1.3	107.7	P64 A68	P64-R66 PolarHBondContact O-N 2.85Å; R66-A68 VanDerWaalsContact C-N 3.32Å; R66-A68 PolarHBondContact O-N 2.78Å
67	L	31.4	Very low	45.5	Very low	147 Å²	147	130.9 Å²	130.9	77%	0.77	72%	0.722	S	S	*	*			trans	-64.9	80	-174.5	-154	84	0	0	0	111.5	K69	L67-K69 PolarHBondContact O-N 3.21Å
68	A	37.8	Very low	48.2	Very low	99 Å²	99	127.5 Å²	127.5	82%	0.818	72%	0.716	S	S	*	*			trans	-80.9	101.6	165.5	0	0	0	0	0	108.2	R66	R66-A68 VanDerWaalsContact C-N 3.32Å; R66-A68 PolarHBondContact O-N 2.78Å
69	K	35	Very low	50.9	Low	168 Å²	168	122 Å²	122	73%	0.73	69%	0.688	S	S	*	*			trans	-60.5	147.6	166.4	-71.4	171.3	170.8	172.4	0	109.2	L67	L67-K69 PolarHBondContact O-N 3.21Å
70	T	36.7	Very low	53.6	Low	127 Å²	127	114.2 Å²	114.2	78%	0.779	66%	0.664	S	S	*	*			trans	92.1	138.5	151.1	69.2	0	0	0	0	120.4
71	T	46.7	Very low	56.5	Low	130 Å²	130	111 Å²	111	80%	0.798	64%	0.635	S	S	*	*	S	Bend	trans	73.6	105.6	169.1	73.4	0	0	0	0	117.3	S73	T71-S73 PolarHBondContact O-N 2.78Å; T71-S73 VanDerWaalsContact O-N 3.16Å
72	D	55.9	Low	59.5	Low	150 Å²	150	104.2 Å²	104.2	80%	0.802	61%	0.608	S	S	*	*			trans	5.2	92.7	161.2	-66.5	-16.5	0	0	0	114.7	V74	D72-V74 HydrophobicContact CB-CG2 4.22Å; D72-V74 PolarHBondContact O-N 2.79Å
73	S	62.6	Low	62.4	Low	126 Å²	126	101.2 Å²	101.2	88%	0.881	58%	0.575	S	S	*	*			trans	-70.8	77.7	172.4	59.3	0	0	0	0	109.4	T71	T71-S73 PolarHBondContact O-N 2.78Å; T71-S73 VanDerWaalsContact O-N 3.16Å
74	V	71.9	Confident	65.2	Low	26 Å²	26	95.2 Å²	95.2	16%	0.158	56%	0.559	C	S	.	*	P	Polyproline II helix	trans	-71.9	137.1	173.3	179.6	0	0	0	0	108.7	R12 T13 H14 V15 D72 T76	R12-V74 HydrophobicContact CB-CG2 4.01Å; R12-V74 HydrophobicContact CG-CG1 4.06Å; R12-V74 HydrophobicContact CG-CG2 4.01Å; R12-V74 WeakPolarHBondContact O-CG1 3.48Å; R12-V74 VanDerWaalsContact O-CG2 3.27Å; R12-V74 WeakPolarHBondContact O-CG2 3.29Å; T13-V74 WeakPolarHBondContact O-CG1 3.22Å; H14-V74 VanDerWaalsContact CA-CG1 3.43Å; H14-V74 VanDerWaalsContact N-CG1 3.33Å; V15-V74 HydrophobicContact CG2-CB 3.9Å; V15-V74 HydrophobicContact CG2-CG1 3.7Å; D72-V74 HydrophobicContact CB-CG2 4.22Å; D72-V74 PolarHBondContact O-N 2.79Å; V74-T76 PolarHBondContact O-N 3.13Å
75	A	79.4	Confident	67.9	Low	51 Å²	51	91.3 Å²	91.3	42%	0.421	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	127.2	-179.9	0	0	0	0	0	111.5	H14 V15	H14-A75 WeakPolarHBondContact CA-O 3.34Å; V15-A75 PolarHBondContact N-O 2.9Å
76	T	81.9	Confident	70.7	Confident	84 Å²	84	86.7 Å²	86.7	52%	0.515	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	127.4	174.2	-54.5	0	0	0	0	109.6	V15 Q17 V74	V15-T76 CarbonylContact O-C 3.58Å; V15-T76 VanDerWaalsContact O-CA 3.27Å; V15-T76 WeakPolarHBondContact O-CA 3.39Å; Q17-T76 HydrophobicContact CB-CG2 3.75Å; V74-T76 PolarHBondContact O-N 3.13Å
77	I	86	Confident	73.4	Confident	21 Å²	21	86 Å²	86	11%	0.108	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.3	172.9	63.7	174.7	0	0	0	109.7	H14 V15 G16 Q17 W47	H14-I77 HydrophobicContact CB-CD1 4.21Å; H14-I77 HydrophobicContact CB-CG1 4.41Å; H14-I77 HydrophobicContact CB-CG2 4.14Å; V15-I77 PolarHBondContact O-N 2.95Å; G16-I77 WeakPolarHBondContact CA-O 3.41Å; Q17-I77 PolarHBondContact N-O 3.36Å; W47-I77 HydrophobicContact CB-CD1 4.35Å; W47-I77 HydrophobicContact CE3-CD1 4.4Å; W47-I77 HydrophobicContact CE3-CG1 4.21Å
78	T	87.5	Confident	76.4	Confident	106 Å²	106	81.2 Å²	81.2	65%	0.65	48%	0.484	S	S	*	.			trans	-99.2	155.2	172.2	52.6	0	0	0	0	109.9
79	P	89.7	Confident	79.2	Confident	29 Å²	29	80.5 Å²	80.5	19%	0.188	46%	0.46	C	S	.	.			trans	-65	140.3	175.9	29.3	-34.6	0	0	0	109.5	K45 I46 W47	K45-P79 HydrophobicContact CB-CB 4.03Å; K45-P79 HydrophobicContact CD-CB 4.27Å; K45-P79 HydrophobicContact CD-CG 4.23Å; K45-P79 HydrophobicContact CG-CB 4.29Å; I46-P79 CarbonylContact O-C 3.59Å; W47-P79 HydrophobicContact CD2-CB 4.15Å; W47-P79 HydrophobicContact CE3-CB 4Å; W47-P79 HydrophobicContact CH2-CB 3.96Å; W47-P79 HydrophobicContact CH2-CG 4.1Å; W47-P79 HydrophobicContact CZ2-CB 4.08Å; W47-P79 HydrophobicContact CZ3-CB 3.92Å; W47-P79 HydrophobicContact CZ3-CG 4.16Å; W47-P79 VanDerWaalsContact CZ3-N 3.25Å
80	I	90.2	Very high	82.2	Confident	91 Å²	91	72.5 Å²	72.5	47%	0.467	43%	0.425	S	S	.	.	S	Bend	trans	-74.1	-40.4	174.2	-53.3	166.3	0	0	0	109.1	I46 N48	I46-I80 PolarHBondContact O-N 2.89Å; N48-I80 HydrophobicContact CB-CD1 3.95Å; N48-I80 WeakPolarHBondContact ND2-CD1 3.4Å; N48-I80 WeakPolarHBondContact OD1-CD1 3.46Å
81	V	91.4	Very high	85	Confident	21 Å²	21	67.5 Å²	67.5	13%	0.127	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136	-175.5	-177.5	0	0	0	0	108.3	K45 I46 L83 L118	K45-V81 WeakPolarHBondContact CA-O 3.14Å; I46-V81 HydrophobicContact CB-CB 4.18Å; I46-V81 HydrophobicContact CG1-CB 4.37Å; I46-V81 PolarHBondContact N-O 2.84Å; I46-V81 PolarHBondContact O-N 2.94Å; V81-L83 HydrophobicContact CG1-CD1 4.39Å; V81-L83 HydrophobicContact CG1-CD2 3.49Å; V81-L83 VanDerWaalsContact CG1-CD2 3.49Å; V81-L83 HydrophobicContact CG1-CG 3.63Å; V81-L118 HydrophobicContact CB-CD2 4.1Å; V81-L118 HydrophobicContact CG1-CD2 3.52Å; V81-L118 HydrophobicContact CG2-CD2 3.42Å; V81-L118 VanDerWaalsContact CG2-CD2 3.42Å
82	T	93.6	Very high	87.3	Confident	65 Å²	65	61.6 Å²	61.6	40%	0.399	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	114.6	165.2	-63.2	0	0	0	0	107.9	Y43 K45	Y43-T82 HydrophobicContact CD1-CG2 3.66Å; Y43-T82 HydrophobicContact CE1-CG2 4.36Å; Y43-T82 HydrophobicContact CG-CG2 3.82Å; K45-T82 HydrophobicContact CG-CG2 4.19Å; K45-T82 PolarHBondContact NZ-OG1 3.47Å; K45-T82 VanDerWaalsContact NZ-OG1 3.09Å
83	L	93.2	Very high	89.2	Confident	10 Å²	10	55 Å²	55	5%	0.052	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.1	179.7	-61.6	177.7	0	0	0	110	L44 V81 W113 L118	L44-L83 HydrophobicContact CB-CB 4.25Å; L44-L83 HydrophobicContact CD2-CD1 3.99Å; L44-L83 PolarHBondContact N-O 3.34Å; L44-L83 VanDerWaalsContact N-O 3.13Å; L44-L83 PolarHBondContact O-N 3.16Å; V81-L83 HydrophobicContact CG1-CD1 4.39Å; V81-L83 HydrophobicContact CG1-CD2 3.49Å; V81-L83 VanDerWaalsContact CG1-CD2 3.49Å; V81-L83 HydrophobicContact CG1-CG 3.63Å; L83-W113 HydrophobicContact CB-CE3 3.89Å; L83-W113 HydrophobicContact CB-CZ3 3.87Å; L83-W113 HydrophobicContact CD1-CB 4Å; L83-W113 HydrophobicContact CD1-CD2 4.19Å; L83-W113 HydrophobicContact CD1-CE3 3.82Å; L83-W113 HydrophobicContact CD1-CG 4.31Å; L83-W113 HydrophobicContact CG-CE3 4.36Å; L83-L118 HydrophobicContact CD2-CB 3.96Å; L83-L118 WeakPolarHBondContact CD2-O 3.43Å
84	A	92.4	Very high	90.8	Very high	67 Å²	67	49.9 Å²	49.9	55%	0.554	29%	0.289	S	S	*	.			trans	-99.7	145.5	177.4	0	0	0	0	0	110.4	Y43	Y43-A84 HydrophobicContact CD1-CB 4Å; Y43-A84 HydrophobicContact CE1-CB 3.61Å
85	G	90	Very high	91.9	Very high	44 Å²	44	49.9 Å²	49.9	45%	0.454	29%	0.286	S	S	.	.			trans	155.4	-12.6	170.1	0	0	0	0	0	115.9
86	H	93.1	Very high	92.5	Very high	11 Å²	11	49.5 Å²	49.5	5%	0.051	28%	0.276	C	S	.	.			trans	-77.2	149.5	164.7	-81.6	-63.8	0	0	0	110.8	I90 T103 S105 D107 T109 C111 W113	H86-I90 HydrophobicContact CB-CG1 4.42Å; H86-T103 PolarHBondContact NE2-OG1 2.07Å; H86-S105 VanDerWaalsContact CE1-CB 3.48Å; H86-S105 WeakPolarHBondContact CE1-CB 3.41Å; H86-S105 WeakPolarHBondContact ND1-CB 3.33Å; H86-D107 VanDerWaalsContact CA-OD2 3.25Å; H86-D107 WeakPolarHBondContact CA-OD2 3.25Å; H86-D107 WeakPolarHBondContact CB-OD2 2.99Å; H86-D107 IonicContact CE1-OD1 3.52Å; H86-D107 IonicContact CE1-OD2 2.64Å; H86-D107 IonicContact CG-OD2 2.93Å; H86-D107 IonicContact ND1-OD1 3.94Å; H86-D107 PolarHBondContact ND1-OD1 2.74Å; H86-D107 IonicContact ND1-OD2 2.81Å; H86-D107 PolarHBondContact ND1-OD2 3.2Å; H86-T109 PolarHBondContact CE1-OG1 2.98Å; H86-T109 PolarHBondContact ND1-OG1 3.13Å; H86-C111 PolarHBondContact CE1-SG 2.71Å; H86-W113 AromaticContact CD2-CZ2 3.75Å; H86-W113 AromaticContact NE2-CZ2 3.96Å
87	R	94.2	Very high	93	Very high	233 Å²	233	48.6 Å²	48.6	88%	0.879	27%	0.268	S	S	*	.	S	Bend	trans	-96.9	-4.9	178.1	-58.6	-177	-178.8	-160.1	-0.1	113.2	D107	R87-D107 HydrophobicContact CB-CB 3.92Å; R87-D107 PolarHBondContact N-OD2 3.46Å
88	S	95.4	Very high	93.2	Very high	46 Å²	46	51.2 Å²	51.2	32%	0.322	28%	0.279	S	S	.	.	S	Bend	trans	-152.9	176.2	-178.9	-161.6	0	0	0	0	110.3	S42 S105 W106	S42-S88 WeakPolarHBondContact CB-O 3.45Å; S88-S105 PolarHBondContact O-OG 2.77Å; S88-W106 WeakPolarHBondContact OG-CB 3.38Å
89	R	96.1	Very high	93.3	Very high	84 Å²	84	49 Å²	49	32%	0.317	26%	0.264	S	S	.	.			trans	-51.9	137.6	-177	64.4	-179.9	-179.9	-173.2	-1.4	113	L24 G39 L40 T91 S105 W106	L24-R89 HydrophobicContact CD1-CB 4.15Å; L24-R89 HydrophobicContact CD1-CG 4.34Å; G39-R89 WeakPolarHBondContact O-CA 3.32Å; L40-R89 HydrophobicContact CD2-CB 3.8Å; L40-R89 HydrophobicContact CD2-CG 4.25Å; R89-T91 HydrophobicContact CG-CG2 4.41Å; R89-S105 VanDerWaalsContact O-CA 3.3Å; R89-S105 WeakPolarHBondContact O-CA 3.46Å; R89-S105 WeakPolarHBondContact O-CB 3.42Å; R89-S105 PolarHBondContact O-OG 3.33Å; R89-W106 HydrophobicContact CG-CB 3.85Å; R89-W106 HydrophobicContact CG-CG 3.72Å; R89-W106 VanDerWaalsContact NE-CD1 3.32Å; R89-W106 PolarHBondContact O-N 2.69Å
90	I	97.3	Very high	93.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.2	171.4	-58	178.9	0	0	0	107.6	G39 Y43 L44 H86 G92 T103 S104	G39-I90 PolarHBondContact O-N 3.37Å; Y43-I90 VanDerWaalsContact C-CD1 3.45Å; Y43-I90 WeakPolarHBondContact O-CD1 3.11Å; L44-I90 HydrophobicContact CB-CD1 4.02Å; H86-I90 HydrophobicContact CB-CG1 4.42Å; I90-G92 WeakPolarHBondContact CG2-O 3.35Å; I90-T103 HydrophobicContact CD1-CG2 4.32Å; I90-T103 HydrophobicContact CG2-CG2 4.09Å; I90-S104 CarbonylContact C-O 3.56Å; I90-S104 WeakPolarHBondContact CA-O 3.46Å; I90-S104 WeakPolarHBondContact CG2-O 3.42Å
91	T	96.1	Very high	93.8	Very high	23 Å²	23	45.3 Å²	45.3	14%	0.141	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-24.4	-176.3	42.3	0	0	0	0	114.3	R89 S104 W106 L130 T131	R89-T91 HydrophobicContact CG-CG2 4.41Å; T91-S104 PolarHBondContact N-O 3.1Å; T91-S104 PolarHBondContact OG1-O 2.93Å; T91-S104 PolarHBondContact OG1-OG 2.67Å; T91-W106 HydrophobicContact CG2-CG 4.45Å; T91-W106 VanDerWaalsContact CG2-NE1 3.27Å; T91-L130 PolarHBondContact OG1-O 3.4Å; T91-T131 WeakPolarHBondContact CB-O 3.35Å
92	G	95.1	Very high	94	Very high	6 Å²	6	44.3 Å²	44.3	6%	0.062	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	146.7	-179.1	0	0	0	0	0	110.1	C25 I90 T103 S104	C25-G92 VanDerWaalsContact SG-C 3.54Å; I90-G92 WeakPolarHBondContact CG2-O 3.35Å; G92-T103 CarbonylContact O-C 3.59Å; G92-T103 VanDerWaalsContact O-CA 3.31Å; G92-T103 WeakPolarHBondContact O-CA 3.47Å; G92-S104 WeakPolarHBondContact CA-OG 3.3Å; G92-S104 PolarHBondContact N-O 3.12Å; G92-S104 PolarHBondContact N-OG 3.44Å; G92-S104 PolarHBondContact O-N 2.96Å
93	T	96.5	Very high	94.1	Very high	12 Å²	12	41.2 Å²	41.2	7%	0.074	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140.9	174.9	-175.5	0	0	0	0	109.7	C25 S27 V101 I102	C25-T93 HydrophobicContact CB-CG2 3.91Å; C25-T93 VanDerWaalsContact SG-CG2 3.59Å; S27-T93 WeakPolarHBondContact CB-O 3.49Å; T93-V101 WeakPolarHBondContact OG1-CG1 3.37Å; T93-I102 CarbonylContact C-O 3.53Å; T93-I102 WeakPolarHBondContact CA-O 3.21Å; T93-I102 PolarHBondContact OG1-O 2.83Å
94	C	95.7	Very high	94.2	Very high	18 Å²	18	40.7 Å²	40.7	12%	0.122	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	151.6	173.7	55.8	0	0	0	0	110.5	I102	C94-I102 PolarHBondContact N-O 3.38Å; C94-I102 PolarHBondContact O-N 2.8Å
95	W	95.2	Very high	94.4	Very high	26 Å²	26	37.5 Å²	37.5	10%	0.098	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.8	175.4	-68.1	80.1	0	0	0	109.9	S27 N29 R34 A36 I46 E98 V101 T115	S27-W95 PolarHBondContact O-NE1 2.82Å; S27-W95 PolarHBondContact OG-NE1 3.05Å; N29-W95 HydrophobicContact CB-CD2 3.78Å; N29-W95 HydrophobicContact CB-CE3 4Å; N29-W95 HydrophobicContact CB-CG 4.11Å; N29-W95 HydrophobicContact CB-CZ2 4.47Å; N29-W95 HydrophobicContact CB-CZ3 4.42Å; R34-W95 HydrophobicContact CB-CH2 3.68Å; R34-W95 HydrophobicContact CB-CZ2 3.78Å; A36-W95 HydrophobicContact CB-CZ2 3.79Å; I46-W95 HydrophobicContact CD1-CH2 4.32Å; I46-W95 HydrophobicContact CD1-CZ2 4.29Å; I46-W95 HydrophobicContact CG2-CH2 4.23Å; W95-E98 VanDerWaalsContact CZ3-O 3.24Å; W95-E98 WeakPolarHBondContact CZ3-O 3.37Å; W95-V101 HydrophobicContact CD2-CG2 3.62Å; W95-V101 HydrophobicContact CE3-CG2 3.44Å; W95-V101 VanDerWaalsContact CE3-CG2 3.44Å; W95-V101 HydrophobicContact CG-CG2 4.39Å; W95-V101 HydrophobicContact CH2-CG2 3.71Å; W95-V101 HydrophobicContact CZ2-CG2 3.86Å; W95-V101 HydrophobicContact CZ3-CG2 3.49Å; W95-V101 VanDerWaalsContact CZ3-CG2 3.49Å; W95-T115 HydrophobicContact CH2-CG2 4.15Å; W95-T115 HydrophobicContact CZ3-CG2 4.04Å
96	M	93	Very high	94.7	Very high	42 Å²	42	38.4 Å²	38.4	21%	0.207	18%	0.177	C	C	.	.	S	Bend	trans	-83.3	-44.3	171.8	-170.9	174.7	63.5	0	0	110.7	H100 I102 V112 Y135 P156	M96-H100 HydrophobicContact CB-CB 4.04Å; M96-H100 HydrophobicContact CE-CB 3.51Å; M96-H100 PolarHBondContact N-O 2.98Å; M96-I102 HydrophobicContact CB-CD1 3.7Å; M96-I102 HydrophobicContact CB-CG1 4.12Å; M96-I102 HydrophobicContact CG-CD1 4.07Å; M96-I102 HydrophobicContact SD-CD1 4.16Å; M96-V112 HydrophobicContact CE-CG1 4.21Å; M96-Y135 HydrophobicContact CB-CE1 4.32Å; M96-Y135 HydrophobicContact CG-CD1 4.44Å; M96-Y135 HydrophobicContact CG-CE1 3.82Å; M96-Y135 HydrophobicContact CG-CE2 3.89Å; M96-Y135 WeakPolarHBondContact O-CE1 3.24Å; M96-P156 HydrophobicContact SD-CB 4.11Å; M96-P156 HydrophobicContact SD-CG 4.06Å
97	N	91.2	Very high	94.8	Very high	65 Å²	65	39.1 Å²	39.1	35%	0.348	18%	0.182	S	C	.	.	S	Bend	trans	-150.8	-171	175.4	60.4	41.3	0	0	0	107.9	D99 H100	N97-D99 PolarHBondContact O-N 3.42Å; N97-D99 PolarHBondContact OD1-N 2.59Å; N97-H100 PolarHBondContact ND2-ND1 3.16Å; N97-H100 VanDerWaalsContact ND2-ND1 3.13Å; N97-H100 VanDerWaalsContact OD1-CB 3.29Å; N97-H100 WeakPolarHBondContact OD1-CB 3.42Å; N97-H100 PolarHBondContact OD1-N 3.24Å; N97-H100 PolarHBondContact OD1-ND1 3.25Å
98	E	89.5	Confident	94.8	Very high	76 Å²	76	31.6 Å²	31.6	36%	0.355	16%	0.156	S	C	.	.	S	Bend	trans	-63.2	-22.2	-178.1	-69.4	-62.6	131.1	0	0	114.3	N29 A30 G31 W95	N29-E98 PolarHBondContact ND2-OE2 3.09Å; A30-E98 PolarHBondContact N-OE1 2.8Å; G31-E98 PolarHBondContact N-OE1 3.15Å; W95-E98 VanDerWaalsContact CZ3-O 3.24Å; W95-E98 WeakPolarHBondContact CZ3-O 3.37Å
99	D	91.3	Very high	94.7	Very high	60 Å²	60	30.4 Å²	30.4	32%	0.321	15%	0.147	S	C	.	.	S	Bend	trans	-114	-16.5	-173.1	-57.9	-45	0	0	0	113.3	N97 T115 I116	N97-D99 PolarHBondContact O-N 3.42Å; N97-D99 PolarHBondContact OD1-N 2.59Å; D99-T115 WeakPolarHBondContact CA-OG1 3.21Å; D99-T115 WeakPolarHBondContact O-CB 3.48Å; D99-T115 WeakPolarHBondContact O-CG2 3.29Å; D99-T115 PolarHBondContact O-N 3.19Å; D99-T115 PolarHBondContact O-OG1 2.93Å; D99-I116 HydrophobicContact CB-CD1 3.91Å; D99-I116 HydrophobicContact CB-CG1 4.19Å; D99-I116 WeakPolarHBondContact OD1-CD1 3.36Å
100	H	93.8	Very high	94.6	Very high	42 Å²	42	26.4 Å²	26.4	19%	0.194	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.6	-172	-62.9	61.8	0	0	0	111.7	M96 N97 V112 W113	M96-H100 HydrophobicContact CB-CB 4.04Å; M96-H100 HydrophobicContact CE-CB 3.51Å; M96-H100 PolarHBondContact N-O 2.98Å; N97-H100 PolarHBondContact ND2-ND1 3.16Å; N97-H100 VanDerWaalsContact ND2-ND1 3.13Å; N97-H100 VanDerWaalsContact OD1-CB 3.29Å; N97-H100 WeakPolarHBondContact OD1-CB 3.42Å; N97-H100 PolarHBondContact OD1-N 3.24Å; N97-H100 PolarHBondContact OD1-ND1 3.25Å; H100-V112 HydrophobicContact CB-CG1 4.37Å; H100-W113 CarbonylContact C-O 3.57Å; H100-W113 WeakPolarHBondContact CA-O 3.3Å
101	V	95.7	Very high	94.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.3	178.4	178.4	0	0	0	0	109.7	A36 L44 I46 T93 W95 T103 V112 W113 T115	A36-V101 HydrophobicContact CB-CG1 3.88Å; A36-V101 HydrophobicContact CB-CG2 4.15Å; L44-V101 HydrophobicContact CD1-CG1 3.98Å; L44-V101 HydrophobicContact CD2-CB 4.14Å; L44-V101 HydrophobicContact CD2-CG1 3.85Å; I46-V101 HydrophobicContact CD1-CG2 4.01Å; T93-V101 WeakPolarHBondContact OG1-CG1 3.37Å; W95-V101 HydrophobicContact CD2-CG2 3.62Å; W95-V101 HydrophobicContact CE3-CG2 3.44Å; W95-V101 VanDerWaalsContact CE3-CG2 3.44Å; W95-V101 HydrophobicContact CG-CG2 4.39Å; W95-V101 HydrophobicContact CH2-CG2 3.71Å; W95-V101 HydrophobicContact CZ2-CG2 3.86Å; W95-V101 HydrophobicContact CZ3-CG2 3.49Å; W95-V101 VanDerWaalsContact CZ3-CG2 3.49Å; V101-T103 HydrophobicContact CG1-CG2 4.4Å; V101-V112 CarbonylContact O-C 3.54Å; V101-V112 WeakPolarHBondContact O-CA 3.42Å; V101-W113 PolarHBondContact N-O 2.94Å; V101-W113 PolarHBondContact O-N 3.46Å; V101-T115 HydrophobicContact CG2-CG2 3.72Å
102	I	95.6	Very high	94.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.9	178.5	-57.4	176	0	0	0	107.8	T93 C94 M96 I110 C111 V112 V133 Y135 L142	T93-I102 CarbonylContact C-O 3.53Å; T93-I102 WeakPolarHBondContact CA-O 3.21Å; T93-I102 PolarHBondContact OG1-O 2.83Å; C94-I102 PolarHBondContact N-O 3.38Å; C94-I102 PolarHBondContact O-N 2.8Å; M96-I102 HydrophobicContact CB-CD1 3.7Å; M96-I102 HydrophobicContact CB-CG1 4.12Å; M96-I102 HydrophobicContact CG-CD1 4.07Å; M96-I102 HydrophobicContact SD-CD1 4.16Å; I102-I110 HydrophobicContact CG2-CG2 3.55Å; I102-C111 WeakPolarHBondContact CA-O 3.44Å; I102-V112 HydrophobicContact CG1-CG1 4.39Å; I102-V112 HydrophobicContact CG1-CG2 4.21Å; I102-V133 HydrophobicContact CG2-CG2 4.28Å; I102-Y135 HydrophobicContact CD1-CD2 4.15Å; I102-Y135 HydrophobicContact CD1-CG 4.4Å; I102-L142 HydrophobicContact CD1-CD1 3.94Å; I102-L142 HydrophobicContact CD1-CD2 3.56Å; I102-L142 HydrophobicContact CD1-CG 4.09Å; I102-L142 HydrophobicContact CG2-CD1 4.16Å; I102-L142 HydrophobicContact CG2-CD2 3.95Å
103	T	96.6	Very high	94.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.6	177.7	55.7	0	0	0	0	110.4	L44 H86 I90 G92 V101 I110 C111 W113	L44-T103 HydrophobicContact CB-CG2 4.28Å; L44-T103 HydrophobicContact CD1-CG2 3.92Å; L44-T103 HydrophobicContact CD2-CG2 3.87Å; L44-T103 HydrophobicContact CG-CG2 4.24Å; H86-T103 PolarHBondContact NE2-OG1 2.07Å; I90-T103 HydrophobicContact CD1-CG2 4.32Å; I90-T103 HydrophobicContact CG2-CG2 4.09Å; G92-T103 CarbonylContact O-C 3.59Å; G92-T103 VanDerWaalsContact O-CA 3.31Å; G92-T103 WeakPolarHBondContact O-CA 3.47Å; V101-T103 HydrophobicContact CG1-CG2 4.4Å; T103-I110 CarbonylContact O-C 3.57Å; T103-I110 WeakPolarHBondContact O-CA 3.43Å; T103-C111 PolarHBondContact N-O 2.99Å; T103-C111 PolarHBondContact O-N 3.37Å; T103-C111 PolarHBondContact OG1-O 3.22Å; T103-W113 PolarHBondContact OG1-NE1 2.98Å
104	S	95.6	Very high	94.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.3	165.8	59.8	0	0	0	0	110.3	I90 T91 G92	I90-S104 CarbonylContact C-O 3.56Å; I90-S104 WeakPolarHBondContact CA-O 3.46Å; I90-S104 WeakPolarHBondContact CG2-O 3.42Å; T91-S104 PolarHBondContact N-O 3.1Å; T91-S104 PolarHBondContact OG1-O 2.93Å; T91-S104 PolarHBondContact OG1-OG 2.67Å; G92-S104 WeakPolarHBondContact CA-OG 3.3Å; G92-S104 PolarHBondContact N-O 3.12Å; G92-S104 PolarHBondContact N-OG 3.44Å; G92-S104 PolarHBondContact O-N 2.96Å
105	S	96.5	Very high	93.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	160.1	-178.7	173.2	0	0	0	0	113	H86 S88 R89 D107 H108 T109 L130	H86-S105 VanDerWaalsContact CE1-CB 3.48Å; H86-S105 WeakPolarHBondContact CE1-CB 3.41Å; H86-S105 WeakPolarHBondContact ND1-CB 3.33Å; S88-S105 PolarHBondContact O-OG 2.77Å; R89-S105 VanDerWaalsContact O-CA 3.3Å; R89-S105 WeakPolarHBondContact O-CA 3.46Å; R89-S105 WeakPolarHBondContact O-CB 3.42Å; R89-S105 PolarHBondContact O-OG 3.33Å; S105-D107 WeakPolarHBondContact CB-OD1 3.19Å; S105-D107 PolarHBondContact O-N 2.98Å; S105-D107 PolarHBondContact OG-N 3.31Å; S105-D107 VanDerWaalsContact OG-N 3.16Å; S105-D107 PolarHBondContact OG-OD1 3.37Å; S105-H108 PolarHBondContact O-N 3.04Å; S105-T109 PolarHBondContact N-O 2.88Å; S105-L130 PolarHBondContact O-N 3.03Å
106	W	95.9	Very high	93.6	Very high	62 Å²	62	29.1 Å²	29.1	24%	0.235	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.2	169.6	-89.7	55.1	0	0	0	113.7	S88 R89 T91 H108 S129 T147 W174	S88-W106 WeakPolarHBondContact OG-CB 3.38Å; R89-W106 HydrophobicContact CG-CB 3.85Å; R89-W106 HydrophobicContact CG-CG 3.72Å; R89-W106 VanDerWaalsContact NE-CD1 3.32Å; R89-W106 PolarHBondContact O-N 2.69Å; T91-W106 HydrophobicContact CG2-CG 4.45Å; T91-W106 VanDerWaalsContact CG2-NE1 3.27Å; W106-H108 PolarHBondContact O-N 3.37Å; W106-H108 VanDerWaalsContact O-N 3.1Å; W106-S129 PolarHBondContact O-OG 2.85Å; W106-T147 HydrophobicContact CH2-CG2 4.04Å; W106-T147 HydrophobicContact CZ2-CG2 3.95Å; W106-W174 HydrophobicContact CH2-CH2 4.28Å; W106-W174 HydrophobicContact CH2-CZ3 4.33Å
107	D	95	Very high	93.6	Very high	26 Å²	26	33.3 Å²	33.3	14%	0.139	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	10.6	174.5	70.9	6.9	0	0	0	114.3	H86 R87 S105 T109	H86-D107 VanDerWaalsContact CA-OD2 3.25Å; H86-D107 WeakPolarHBondContact CA-OD2 3.25Å; H86-D107 WeakPolarHBondContact CB-OD2 2.99Å; H86-D107 IonicContact CE1-OD1 3.52Å; H86-D107 IonicContact CE1-OD2 2.64Å; H86-D107 IonicContact CG-OD2 2.93Å; H86-D107 IonicContact ND1-OD1 3.94Å; H86-D107 PolarHBondContact ND1-OD1 2.74Å; H86-D107 IonicContact ND1-OD2 2.81Å; H86-D107 PolarHBondContact ND1-OD2 3.2Å; R87-D107 HydrophobicContact CB-CB 3.92Å; R87-D107 PolarHBondContact N-OD2 3.46Å; S105-D107 WeakPolarHBondContact CB-OD1 3.19Å; S105-D107 PolarHBondContact O-N 2.98Å; S105-D107 PolarHBondContact OG-N 3.31Å; S105-D107 VanDerWaalsContact OG-N 3.16Å; S105-D107 PolarHBondContact OG-OD1 3.37Å; D107-T109 VanDerWaalsContact C-N 3.33Å; D107-T109 VanDerWaalsContact CG-OG1 3.31Å; D107-T109 WeakPolarHBondContact OD1-CB 3.19Å; D107-T109 PolarHBondContact OD1-N 2.89Å; D107-T109 PolarHBondContact OD1-OG1 2.78Å; D107-T109 PolarHBondContact OD2-OG1 2.78Å
108	H	93.6	Very high	93.6	Very high	76 Å²	76	34.5 Å²	34.5	35%	0.352	17%	0.172	S	C	.	.	S	Bend	trans	70.8	24	179.7	-38.5	-61	0	0	0	113.9	S105 W106 C126 C128 S129	S105-H108 PolarHBondContact O-N 3.04Å; W106-H108 PolarHBondContact O-N 3.37Å; W106-H108 VanDerWaalsContact O-N 3.1Å; H108-C126 HydrophobicContact CB-CB 4.49Å; H108-C126 VanDerWaalsContact CB-O 3.32Å; H108-C126 WeakPolarHBondContact CB-O 3.48Å; H108-C126 WeakPolarHBondContact O-CA 3.41Å; H108-C126 WeakPolarHBondContact O-CB 3.21Å; H108-C126 PolarHBondContact O-N 2.74Å; H108-C128 WeakPolarHBondContact CA-O 3.45Å; H108-C128 WeakPolarHBondContact CB-O 3.42Å; H108-C128 PolarHBondContact ND1-O 3.17Å; H108-C128 VanDerWaalsContact ND1-O 3.1Å; H108-S129 PolarHBondContact CE1-OG 3.33Å; H108-S129 WeakPolarHBondContact ND1-CA 3.47Å; H108-S129 PolarHBondContact ND1-N 3.2Å; H108-S129 PolarHBondContact ND1-OG 2.72Å
109	T	93.1	Very high	93.6	Very high	20 Å²	20	36 Å²	36	12%	0.123	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.1	-178.8	74.7	0	0	0	0	113.9	H86 S105 D107 C111 C123 L124	H86-T109 PolarHBondContact CE1-OG1 2.98Å; H86-T109 PolarHBondContact ND1-OG1 3.13Å; S105-T109 PolarHBondContact N-O 2.88Å; D107-T109 VanDerWaalsContact C-N 3.33Å; D107-T109 VanDerWaalsContact CG-OG1 3.31Å; D107-T109 WeakPolarHBondContact OD1-CB 3.19Å; D107-T109 PolarHBondContact OD1-N 2.89Å; D107-T109 PolarHBondContact OD1-OG1 2.78Å; D107-T109 PolarHBondContact OD2-OG1 2.78Å; T109-C111 PolarHBondContact OG1-SG 3.23Å; T109-C123 WeakPolarHBondContact CB-SG 3.21Å; T109-L124 WeakPolarHBondContact CA-O 3.29Å
110	I	94.3	Very high	93.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.3	162.9	-57.3	-178.7	0	0	0	107.1	I102 T103 C123 L124 L130 L142 W154	I102-I110 HydrophobicContact CG2-CG2 3.55Å; T103-I110 CarbonylContact O-C 3.57Å; T103-I110 WeakPolarHBondContact O-CA 3.43Å; I110-C123 VanDerWaalsContact C-SG 3.57Å; I110-C123 CarbonylContact O-C 3.58Å; I110-C123 WeakPolarHBondContact O-CA 3.49Å; I110-C123 PolarHBondContact O-SG 3.32Å; I110-L124 HydrophobicContact CB-CB 4.44Å; I110-L124 PolarHBondContact N-O 3.25Å; I110-L124 PolarHBondContact O-N 3.08Å; I110-L130 HydrophobicContact CB-CD1 4.47Å; I110-L130 HydrophobicContact CD1-CD1 3.82Å; I110-L130 HydrophobicContact CG1-CD1 3.18Å; I110-L142 HydrophobicContact CG2-CD1 4.38Å; I110-W154 HydrophobicContact CD1-CD2 3.85Å; I110-W154 HydrophobicContact CD1-CG 3.89Å; I110-W154 HydrophobicContact CD1-CZ2 4.06Å; I110-W154 VanDerWaalsContact CD1-NE1 3.34Å
111	C	93.7	Very high	93.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.7	179.4	-54.4	0	0	0	0	111.6	H86 I102 T103 T109 W113 K120 S122 C123	H86-C111 PolarHBondContact CE1-SG 2.71Å; I102-C111 WeakPolarHBondContact CA-O 3.44Å; T103-C111 PolarHBondContact N-O 2.99Å; T103-C111 PolarHBondContact O-N 3.37Å; T103-C111 PolarHBondContact OG1-O 3.22Å; T109-C111 PolarHBondContact OG1-SG 3.23Å; C111-W113 HydrophobicContact CB-CZ2 4.19Å; C111-K120 HydrophobicContact CB-CD 4.31Å; C111-K120 HydrophobicContact CB-CG 4.39Å; C111-K120 WeakPolarHBondContact SG-CE 3.35Å; C111-K120 PolarHBondContact SG-NZ 3.06Å; C111-S122 WeakPolarHBondContact CA-O 3.3Å; C111-C123 VanDerWaalsContact CA-SG 3.59Å; C111-C123 HydrophobicContact CB-CB 3.84Å; C111-C123 WeakPolarHBondContact CB-SG 3.42Å; C111-C123 WeakPolarHBondContact SG-CB 3.35Å; C111-C123 CovalentContact SG-SG 2.07Å; C111-C123 PolarHBondContact SG-SG 3.12Å
112	V	94.1	Very high	93.1	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.9	172.6	-172.6	0	0	0	0	107.6	M96 H100 V101 I102 K120 V121 S122 P156	M96-V112 HydrophobicContact CE-CG1 4.21Å; H100-V112 HydrophobicContact CB-CG1 4.37Å; V101-V112 CarbonylContact O-C 3.54Å; V101-V112 WeakPolarHBondContact O-CA 3.42Å; I102-V112 HydrophobicContact CG1-CG1 4.39Å; I102-V112 HydrophobicContact CG1-CG2 4.21Å; V112-K120 CarbonylContact O-C 3.53Å; V112-V121 HydrophobicContact CG1-CB 4.49Å; V112-V121 PolarHBondContact O-N 2.78Å; V112-S122 WeakPolarHBondContact CG2-OG 3.33Å; V112-S122 PolarHBondContact N-O 2.75Å; V112-S122 PolarHBondContact O-N 3.08Å; V112-P156 HydrophobicContact CG2-CB 4.27Å
113	W	94.5	Very high	92.8	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.4	-175.9	-55.4	85.8	0	0	0	109.4	L44 L83 H86 H100 V101 T103 C111 K120	L44-W113 HydrophobicContact CD2-CB 3.92Å; L44-W113 VanDerWaalsContact CD2-CD1 3.46Å; L44-W113 HydrophobicContact CD2-CD2 3.98Å; L44-W113 HydrophobicContact CD2-CG 3.51Å; L83-W113 HydrophobicContact CB-CE3 3.89Å; L83-W113 HydrophobicContact CB-CZ3 3.87Å; L83-W113 HydrophobicContact CD1-CB 4Å; L83-W113 HydrophobicContact CD1-CD2 4.19Å; L83-W113 HydrophobicContact CD1-CE3 3.82Å; L83-W113 HydrophobicContact CD1-CG 4.31Å; L83-W113 HydrophobicContact CG-CE3 4.36Å; H86-W113 AromaticContact CD2-CZ2 3.75Å; H86-W113 AromaticContact NE2-CZ2 3.96Å; H100-W113 CarbonylContact C-O 3.57Å; H100-W113 WeakPolarHBondContact CA-O 3.3Å; V101-W113 PolarHBondContact N-O 2.94Å; V101-W113 PolarHBondContact O-N 3.46Å; T103-W113 PolarHBondContact OG1-NE1 2.98Å; C111-W113 HydrophobicContact CB-CZ2 4.19Å; W113-K120 HydrophobicContact CE3-CB 4.05Å; W113-K120 HydrophobicContact CZ3-CB 4.08Å
114	D	93.3	Very high	92.5	Very high	20 Å²	20	40.9 Å²	40.9	11%	0.107	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120	168.7	-174.7	-29.1	0	0	0	108.5	I116 L117 L118 D119 V121	D114-I116 VanDerWaalsContact C-N 3.32Å; D114-I116 WeakPolarHBondContact OD1-CA 3.37Å; D114-I116 WeakPolarHBondContact OD1-CB 3.42Å; D114-I116 PolarHBondContact OD1-N 2.87Å; D114-L117 HydrophobicContact CB-CB 4.08Å; D114-L117 PolarHBondContact OD1-N 3.32Å; D114-L117 WeakPolarHBondContact OD2-CD1 3.46Å; D114-L117 WeakPolarHBondContact OD2-CG 3.34Å; D114-L118 VanDerWaalsContact O-CA 3.29Å; D114-L118 WeakPolarHBondContact O-CA 3.22Å; D114-L118 PolarHBondContact O-N 3.31Å; D114-D119 PolarHBondContact N-O 2.94Å; D114-D119 PolarHBondContact O-N 3.43Å; D114-V121 HydrophobicContact CB-CG2 3.53Å
115	T	90.1	Very high	92.2	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.037	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.2	-178.6	65.9	0	0	0	0	113.5	I46 W95 D99 V101 L118	I46-T115 HydrophobicContact CD1-CG2 4.09Å; I46-T115 HydrophobicContact CG1-CG2 4.09Å; W95-T115 HydrophobicContact CH2-CG2 4.15Å; W95-T115 HydrophobicContact CZ3-CG2 4.04Å; D99-T115 WeakPolarHBondContact CA-OG1 3.21Å; D99-T115 WeakPolarHBondContact O-CB 3.48Å; D99-T115 WeakPolarHBondContact O-CG2 3.29Å; D99-T115 PolarHBondContact O-N 3.19Å; D99-T115 PolarHBondContact O-OG1 2.93Å; V101-T115 HydrophobicContact CG2-CG2 3.72Å; T115-L118 VanDerWaalsContact O-CD2 3.26Å; T115-L118 WeakPolarHBondContact O-CD2 3.31Å
116	I	90.2	Very high	91.6	Very high	110 Å²	110	44.8 Å²	44.8	56%	0.564	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-49.9	171.8	-59.5	172.4	0	0	0	109.4	D99 D114 L118	D99-I116 HydrophobicContact CB-CD1 3.91Å; D99-I116 HydrophobicContact CB-CG1 4.19Å; D99-I116 WeakPolarHBondContact OD1-CD1 3.36Å; D114-I116 VanDerWaalsContact C-N 3.32Å; D114-I116 WeakPolarHBondContact OD1-CA 3.37Å; D114-I116 WeakPolarHBondContact OD1-CB 3.42Å; D114-I116 PolarHBondContact OD1-N 2.87Å; I116-L118 VanDerWaalsContact C-N 3.25Å; I116-L118 PolarHBondContact O-N 2.95Å
117	L	92	Very high	91.3	Very high	129 Å²	129	47.6 Å²	47.6	68%	0.675	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.8	178.9	-64.6	179	0	0	0	113.1	D114 D119	D114-L117 HydrophobicContact CB-CB 4.08Å; D114-L117 PolarHBondContact OD1-N 3.32Å; D114-L117 WeakPolarHBondContact OD2-CD1 3.46Å; D114-L117 WeakPolarHBondContact OD2-CG 3.34Å; L117-D119 PolarHBondContact O-N 2.91Å
118	L	91	Very high	91	Very high	90 Å²	90	47.3 Å²	47.3	47%	0.471	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	34.2	-179.4	-48.7	176.2	0	0	0	112.5	V81 L83 D114 T115 I116	V81-L118 HydrophobicContact CB-CD2 4.1Å; V81-L118 HydrophobicContact CG1-CD2 3.52Å; V81-L118 HydrophobicContact CG2-CD2 3.42Å; V81-L118 VanDerWaalsContact CG2-CD2 3.42Å; L83-L118 HydrophobicContact CD2-CB 3.96Å; L83-L118 WeakPolarHBondContact CD2-O 3.43Å; D114-L118 VanDerWaalsContact O-CA 3.29Å; D114-L118 WeakPolarHBondContact O-CA 3.22Å; D114-L118 PolarHBondContact O-N 3.31Å; T115-L118 VanDerWaalsContact O-CD2 3.26Å; T115-L118 WeakPolarHBondContact O-CD2 3.31Å; I116-L118 VanDerWaalsContact C-N 3.25Å; I116-L118 PolarHBondContact O-N 2.95Å
119	D	90.3	Very high	91.1	Very high	108 Å²	108	44.4 Å²	44.4	58%	0.578	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.6	164.5	-177.6	-157.3	2.2	0	0	0	111.6	D114 L117	D114-D119 PolarHBondContact N-O 2.94Å; D114-D119 PolarHBondContact O-N 3.43Å; L117-D119 PolarHBondContact O-N 2.91Å
120	K	90.5	Very high	91.2	Very high	65 Å²	65	43.4 Å²	43.4	28%	0.283	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.1	176.8	176.4	-179	-79.7	-169.1	0	109.8	C111 V112 W113 S122 C123	C111-K120 HydrophobicContact CB-CD 4.31Å; C111-K120 HydrophobicContact CB-CG 4.39Å; C111-K120 WeakPolarHBondContact SG-CE 3.35Å; C111-K120 PolarHBondContact SG-NZ 3.06Å; V112-K120 CarbonylContact O-C 3.53Å; W113-K120 HydrophobicContact CE3-CB 4.05Å; W113-K120 HydrophobicContact CZ3-CB 4.08Å; K120-S122 WeakPolarHBondContact CG-O 3.41Å; K120-C123 HydrophobicContact CD-CB 3.69Å; K120-C123 HydrophobicContact CG-CB 4.3Å
121	V	90	Very high	91.3	Very high	84 Å²	84	44.5 Å²	44.5	51%	0.509	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-46.8	175.5	-179.3	0	0	0	0	110.8	V112 D114	V112-V121 HydrophobicContact CG1-CB 4.49Å; V112-V121 PolarHBondContact O-N 2.78Å; D114-V121 HydrophobicContact CB-CG2 3.53Å
122	S	89.7	Confident	91.4	Very high	21 Å²	21	45 Å²	45	15%	0.147	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156.4	-178.2	70.4	0	0	0	0	110.1	C111 V112 K120	C111-S122 WeakPolarHBondContact CA-O 3.3Å; V112-S122 WeakPolarHBondContact CG2-OG 3.33Å; V112-S122 PolarHBondContact N-O 2.75Å; V112-S122 PolarHBondContact O-N 3.08Å; K120-S122 WeakPolarHBondContact CG-O 3.41Å
123	C	89.1	Confident	91.5	Very high	33 Å²	33	45.6 Å²	45.6	22%	0.223	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	127.7	168.7	-163.8	0	0	0	0	111.8	T109 I110 C111 K120	T109-C123 WeakPolarHBondContact CB-SG 3.21Å; I110-C123 VanDerWaalsContact C-SG 3.57Å; I110-C123 CarbonylContact O-C 3.58Å; I110-C123 WeakPolarHBondContact O-CA 3.49Å; I110-C123 PolarHBondContact O-SG 3.32Å; C111-C123 VanDerWaalsContact CA-SG 3.59Å; C111-C123 HydrophobicContact CB-CB 3.84Å; C111-C123 WeakPolarHBondContact CB-SG 3.42Å; C111-C123 WeakPolarHBondContact SG-CB 3.35Å; C111-C123 CovalentContact SG-SG 2.07Å; C111-C123 PolarHBondContact SG-SG 3.12Å; K120-C123 HydrophobicContact CD-CB 3.69Å; K120-C123 HydrophobicContact CG-CB 4.3Å
124	L	90.2	Very high	91.6	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.8	-176.1	-55.4	174	0	0	0	107.7	T109 I110 W154	T109-L124 WeakPolarHBondContact CA-O 3.29Å; I110-L124 HydrophobicContact CB-CB 4.44Å; I110-L124 PolarHBondContact N-O 3.25Å; I110-L124 PolarHBondContact O-N 3.08Å; L124-W154 HydrophobicContact CB-CE3 4.03Å; L124-W154 HydrophobicContact CB-CZ3 4.09Å; L124-W154 HydrophobicContact CD1-CB 4.07Å; L124-W154 HydrophobicContact CD1-CE3 4.03Å
125	S	89.2	Confident	91.7	Very high	60 Å²	60	45.9 Å²	45.9	42%	0.42	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	143.3	179.8	-60.4	0	0	0	0	111.9	G161	S125-G161 PolarHBondContact N-O 3.1Å; S125-G161 VanDerWaalsContact N-O 3.17Å
126	C	84.4	Confident	91.9	Very high	22 Å²	22	45.6 Å²	45.6	15%	0.149	26%	0.261	C	S	.	.			trans	-122	171.1	176.3	-162.5	0	0	0	0	110.6	H108 R152 W154	H108-C126 HydrophobicContact CB-CB 4.49Å; H108-C126 VanDerWaalsContact CB-O 3.32Å; H108-C126 WeakPolarHBondContact CB-O 3.48Å; H108-C126 WeakPolarHBondContact O-CA 3.41Å; H108-C126 WeakPolarHBondContact O-CB 3.21Å; H108-C126 PolarHBondContact O-N 2.74Å; C126-R152 VanDerWaalsContact SG-CD 3.58Å; C126-R152 PolarHBondContact SG-NE 2.79Å; C126-W154 HydrophobicContact CB-CH2 3.72Å; C126-W154 HydrophobicContact CB-CZ2 4.23Å
127	T	88.1	Confident	91.9	Very high	122 Å²	122	44.4 Å²	44.4	75%	0.748	26%	0.26	S	S	*	.	S	Bend	trans	-96.3	1.2	173.6	53.8	0	0	0	0	113.2
128	C	90.1	Very high	91.9	Very high	19 Å²	19	42.3 Å²	42.3	13%	0.128	25%	0.249	C	C	.	.	S	Bend	trans	-138.5	153.5	-170.6	-55.8	0	0	0	0	110.7	H108 D148	H108-C128 WeakPolarHBondContact CA-O 3.45Å; H108-C128 WeakPolarHBondContact CB-O 3.42Å; H108-C128 PolarHBondContact ND1-O 3.17Å; H108-C128 VanDerWaalsContact ND1-O 3.1Å; C128-D148 HydrophobicContact CB-CB 4.23Å; C128-D148 PolarHBondContact SG-OD2 3.19Å
129	S	94.6	Very high	91.9	Very high	15 Å²	15	39.1 Å²	39.1	11%	0.105	23%	0.232	C	C	.	.			trans	-74.5	134.1	178.8	-66.6	0	0	0	0	110	W106 H108 S146 T147	W106-S129 PolarHBondContact O-OG 2.85Å; H108-S129 PolarHBondContact CE1-OG 3.33Å; H108-S129 WeakPolarHBondContact ND1-CA 3.47Å; H108-S129 PolarHBondContact ND1-N 3.2Å; H108-S129 PolarHBondContact ND1-OG 2.72Å; S129-S146 VanDerWaalsContact O-CA 3.31Å; S129-S146 WeakPolarHBondContact O-CA 3.31Å; S129-S146 WeakPolarHBondContact O-CB 3.35Å; S129-T147 PolarHBondContact O-N 2.88Å; S129-T147 VanDerWaalsContact O-N 3.12Å
130	L	96	Very high	92	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133.9	-177.5	-55.8	179.2	0	0	0	110.1	T91 S105 I110 G145	T91-L130 PolarHBondContact OG1-O 3.4Å; S105-L130 PolarHBondContact O-N 3.03Å; I110-L130 HydrophobicContact CB-CD1 4.47Å; I110-L130 HydrophobicContact CD1-CD1 3.82Å; I110-L130 HydrophobicContact CG1-CD1 3.18Å; L130-G145 WeakPolarHBondContact CA-O 3.32Å
131	T	96.3	Very high	92.2	Very high	22 Å²	22	35.6 Å²	35.6	14%	0.135	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-24.9	-173.8	50	0	0	0	0	112.7	T91 G145 S146 T147 V175	T91-T131 WeakPolarHBondContact CB-O 3.35Å; T131-G145 PolarHBondContact N-O 3.23Å; T131-G145 PolarHBondContact OG1-O 3.31Å; T131-G145 VanDerWaalsContact OG1-O 3.12Å; T131-S146 PolarHBondContact OG1-N 2.92Å; T131-T147 HydrophobicContact CG2-CG2 3.68Å; T131-V175 VanDerWaalsContact CB-O 3.24Å; T131-V175 WeakPolarHBondContact CB-O 3.37Å; T131-V175 PolarHBondContact OG1-O 3.22Å
132	A	95.8	Very high	92.4	Very high	12 Å²	12	31.6 Å²	31.6	10%	0.099	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	158.3	178.4	0	0	0	0	0	110.3	S144 G145 V178	A132-S144 CarbonylContact O-C 3.59Å; A132-S144 WeakPolarHBondContact O-CA 3.31Å; A132-S144 WeakPolarHBondContact O-CB 3.49Å; A132-G145 PolarHBondContact O-N 3.45Å; A132-V178 HydrophobicContact CB-CG2 3.95Å
133	V	96.2	Very high	92.6	Very high	14 Å²	14	30.6 Å²	30.6	9%	0.085	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	144	172.2	66.5	0	0	0	0	110	I102 L142 I143	I102-V133 HydrophobicContact CG2-CG2 4.28Å; V133-L142 HydrophobicContact CG2-CD2 4.02Å; V133-I143 CarbonylContact C-O 3.57Å; V133-I143 VanDerWaalsContact CA-O 3.31Å; V133-I143 WeakPolarHBondContact CA-O 3.35Å; V133-I143 WeakPolarHBondContact CG2-O 3.24Å
134	S	96.4	Very high	93	Very high	8 Å²	8	29 Å²	29	6%	0.056	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	140.5	170.2	-175.7	0	0	0	0	109.7	L142 I143 D179 W180	S134-L142 WeakPolarHBondContact O-CA 3.42Å; S134-I143 PolarHBondContact N-O 3.37Å; S134-I143 PolarHBondContact O-N 2.59Å; S134-D179 PolarHBondContact OG-OD1 3.32Å; S134-W180 VanDerWaalsContact O-CD1 3.29Å; S134-W180 PolarHBondContact O-NE1 2.75Å; S134-W180 PolarHBondContact OG-N 2.88Å
135	Y	95.3	Very high	93.2	Very high	22 Å²	22	29 Å²	29	9%	0.086	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.8	176.4	179.2	-110.8	0	0	0	109.6	M96 I102 P137 Q140 L141 L142 P156	M96-Y135 HydrophobicContact CB-CE1 4.32Å; M96-Y135 HydrophobicContact CG-CD1 4.44Å; M96-Y135 HydrophobicContact CG-CE1 3.82Å; M96-Y135 HydrophobicContact CG-CE2 3.89Å; M96-Y135 WeakPolarHBondContact O-CE1 3.24Å; I102-Y135 HydrophobicContact CD1-CD2 4.15Å; I102-Y135 HydrophobicContact CD1-CG 4.4Å; Y135-P137 HydrophobicContact CE1-CB 4.18Å; Y135-Q140 HydrophobicContact CE2-CB 4.48Å; Y135-Q140 WeakPolarHBondContact OH-CA 3.31Å; Y135-Q140 WeakPolarHBondContact OH-CB 3.48Å; Y135-Q140 WeakPolarHBondContact OH-CG 3.27Å; Y135-L141 VanDerWaalsContact CD2-O 3.31Å; Y135-L141 WeakPolarHBondContact CD2-O 3.37Å; Y135-L142 HydrophobicContact CD2-CD2 3.62Å; Y135-L142 HydrophobicContact CD2-CG 3.89Å; Y135-L142 HydrophobicContact CG-CD2 4.08Å; Y135-P156 HydrophobicContact CE2-CG 4.27Å
136	S	94.3	Very high	93.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119	169.3	171.8	0	0	0	0	109.9	L138 N139 Q140 L141 W180	S136-L138 PolarHBondContact O-N 2.97Å; S136-L138 PolarHBondContact OG-N 2.92Å; S136-N139 WeakPolarHBondContact CB-OD1 3.39Å; S136-N139 PolarHBondContact O-OD1 3.15Å; S136-N139 PolarHBondContact OG-OD1 2.9Å; S136-Q140 WeakPolarHBondContact O-CA 3.16Å; S136-Q140 PolarHBondContact O-N 3.49Å; S136-L141 PolarHBondContact N-O 3.42Å; S136-W180 VanDerWaalsContact CB-CG 3.47Å
137	P	91.2	Very high	94.1	Very high	84 Å²	84	26.5 Å²	26.5	55%	0.545	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.3	174.1	29.9	-34.8	0	0	0	112.7	Y135	Y135-P137 HydrophobicContact CE1-CB 4.18Å
138	L	91.5	Very high	94.4	Very high	85 Å²	85	22.6 Å²	22.6	45%	0.445	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-48.6	-178.4	-63.6	174.6	0	0	0	111.7	S136 E185	S136-L138 PolarHBondContact O-N 2.97Å; S136-L138 PolarHBondContact OG-N 2.92Å; L138-E185 HydrophobicContact CB-CB 3.75Å; L138-E185 HydrophobicContact CD1-CB 4.31Å
139	N	91.7	Very high	94.6	Very high	24 Å²	24	23.9 Å²	23.9	13%	0.128	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-7.4	180	61.8	20.4	0	0	0	112.9	S136 L141 W180 E185	S136-N139 WeakPolarHBondContact CB-OD1 3.39Å; S136-N139 PolarHBondContact O-OD1 3.15Å; S136-N139 PolarHBondContact OG-OD1 2.9Å; N139-L141 VanDerWaalsContact C-N 3.26Å; N139-L141 HydrophobicContact CB-CD1 4.24Å; N139-L141 HydrophobicContact CB-CG 4.33Å; N139-L141 PolarHBondContact O-N 3.11Å; N139-L141 WeakPolarHBondContact OD1-CB 3.31Å; N139-L141 PolarHBondContact OD1-N 3.18Å; N139-W180 WeakPolarHBondContact ND2-CH2 3.45Å; N139-W180 WeakPolarHBondContact ND2-CZ3 3.19Å; N139-E185 HydrophobicContact CB-CB 4.28Å; N139-E185 PolarHBondContact ND2-O 3.38Å
140	Q	92.1	Very high	94.7	Very high	84 Å²	84	25.6 Å²	25.6	39%	0.393	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	35.2	-176.8	-58.6	170.2	7.6	0	0	113.3	Y135 S136 R157	Y135-Q140 HydrophobicContact CE2-CB 4.48Å; Y135-Q140 WeakPolarHBondContact OH-CA 3.31Å; Y135-Q140 WeakPolarHBondContact OH-CB 3.48Å; Y135-Q140 WeakPolarHBondContact OH-CG 3.27Å; S136-Q140 WeakPolarHBondContact O-CA 3.16Å; S136-Q140 PolarHBondContact O-N 3.49Å; Q140-R157 PolarHBondContact O-NH2 3.48Å
141	L	93.3	Very high	94.7	Very high	14 Å²	14	25.6 Å²	25.6	7%	0.073	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	159.9	177.4	-62.7	171.7	0	0	0	111.6	Y135 S136 N139 L153 D155 W180 F202	Y135-L141 VanDerWaalsContact CD2-O 3.31Å; Y135-L141 WeakPolarHBondContact CD2-O 3.37Å; S136-L141 PolarHBondContact N-O 3.42Å; N139-L141 VanDerWaalsContact C-N 3.26Å; N139-L141 HydrophobicContact CB-CD1 4.24Å; N139-L141 HydrophobicContact CB-CG 4.33Å; N139-L141 PolarHBondContact O-N 3.11Å; N139-L141 WeakPolarHBondContact OD1-CB 3.31Å; N139-L141 PolarHBondContact OD1-N 3.18Å; L141-L153 HydrophobicContact CB-CD1 4.04Å; L141-L153 HydrophobicContact CD1-CD1 4.18Å; L141-L153 HydrophobicContact CD1-CD2 4.38Å; L141-D155 HydrophobicContact CD2-CB 4.29Å; L141-W180 HydrophobicContact CB-CZ2 4.08Å; L141-F202 HydrophobicContact CD1-CE2 4.44Å
142	L	94.1	Very high	94.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.2	179.2	-74.3	166.3	0	0	0	110.8	I102 I110 V133 S134 Y135 L153 W154 P156	I102-L142 HydrophobicContact CD1-CD1 3.94Å; I102-L142 HydrophobicContact CD1-CD2 3.56Å; I102-L142 HydrophobicContact CD1-CG 4.09Å; I102-L142 HydrophobicContact CG2-CD1 4.16Å; I102-L142 HydrophobicContact CG2-CD2 3.95Å; I110-L142 HydrophobicContact CG2-CD1 4.38Å; V133-L142 HydrophobicContact CG2-CD2 4.02Å; S134-L142 WeakPolarHBondContact O-CA 3.42Å; Y135-L142 HydrophobicContact CD2-CD2 3.62Å; Y135-L142 HydrophobicContact CD2-CG 3.89Å; Y135-L142 HydrophobicContact CG-CD2 4.08Å; L142-L153 CarbonylContact O-C 3.55Å; L142-L153 WeakPolarHBondContact O-CA 3.45Å; L142-W154 HydrophobicContact CB-CB 3.95Å; L142-W154 HydrophobicContact CD1-CB 4.44Å; L142-W154 PolarHBondContact N-O 2.92Å; L142-W154 PolarHBondContact O-N 2.53Å; L142-P156 HydrophobicContact CD1-CB 3.78Å; L142-P156 HydrophobicContact CD1-CG 4.06Å; L142-P156 HydrophobicContact CG-CG 4.34Å
143	I	95.5	Very high	94.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146.8	164.6	60.1	-175.3	0	0	0	110.1	V133 S134 V151 R152 L153 V178 W180 F188	V133-I143 CarbonylContact C-O 3.57Å; V133-I143 VanDerWaalsContact CA-O 3.31Å; V133-I143 WeakPolarHBondContact CA-O 3.35Å; V133-I143 WeakPolarHBondContact CG2-O 3.24Å; S134-I143 PolarHBondContact N-O 3.37Å; S134-I143 PolarHBondContact O-N 2.59Å; I143-V151 HydrophobicContact CB-CG1 4.12Å; I143-R152 CarbonylContact C-O 3.48Å; I143-R152 WeakPolarHBondContact CA-O 3.46Å; I143-L153 HydrophobicContact CG2-CD1 3.82Å; I143-V178 HydrophobicContact CD1-CB 3.89Å; I143-V178 HydrophobicContact CD1-CG2 4.26Å; I143-V178 HydrophobicContact CG1-CB 4.06Å; I143-V178 HydrophobicContact CG1-CG2 3.89Å; I143-W180 HydrophobicContact CD1-CD2 4.26Å; I143-W180 HydrophobicContact CD1-CG 4.05Å; I143-W180 HydrophobicContact CG1-CG 4.43Å; I143-W180 HydrophobicContact CG2-CH2 4.44Å; I143-W180 HydrophobicContact CG2-CZ2 3.52Å; I143-F188 HydrophobicContact CD1-CB 3.53Å; I143-F188 HydrophobicContact CD1-CD2 3.53Å; I143-F188 HydrophobicContact CD1-CE2 4.37Å; I143-F188 HydrophobicContact CD1-CG 3.62Å; I143-F188 HydrophobicContact CG2-CD1 4.43Å; I143-F188 HydrophobicContact CG2-CG 4.45Å
144	S	95.8	Very high	94.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140	171.3	69.3	0	0	0	0	111.7	A132 V151 R152 W154	A132-S144 CarbonylContact O-C 3.59Å; A132-S144 WeakPolarHBondContact O-CA 3.31Å; A132-S144 WeakPolarHBondContact O-CB 3.49Å; S144-V151 WeakPolarHBondContact O-CA 3.49Å; S144-V151 WeakPolarHBondContact O-CG1 3.09Å; S144-R152 PolarHBondContact N-O 3.12Å; S144-R152 PolarHBondContact O-N 3.35Å; S144-W154 PolarHBondContact OG-NE1 2.73Å
145	G	96	Very high	94.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	153.4	164	0	0	0	0	0	111.1	L130 T131 A132	L130-G145 WeakPolarHBondContact CA-O 3.32Å; T131-G145 PolarHBondContact N-O 3.23Å; T131-G145 PolarHBondContact OG1-O 3.31Å; T131-G145 VanDerWaalsContact OG1-O 3.12Å; A132-G145 PolarHBondContact O-N 3.45Å
146	S	95.6	Very high	93.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	166.7	179.1	47.2	0	0	0	0	113.5	S129 T131 D148 H150 R152 V175	S129-S146 VanDerWaalsContact O-CA 3.31Å; S129-S146 WeakPolarHBondContact O-CA 3.31Å; S129-S146 WeakPolarHBondContact O-CB 3.35Å; T131-S146 PolarHBondContact OG1-N 2.92Å; S146-D148 WeakPolarHBondContact CB-OD1 3.29Å; S146-D148 PolarHBondContact O-N 3.38Å; S146-D148 PolarHBondContact OG-OD1 3.37Å; S146-H150 PolarHBondContact N-O 2.81Å; S146-H150 PolarHBondContact OG-O 3.39Å; S146-R152 PolarHBondContact OG-NH1 2.93Å; S146-V175 PolarHBondContact O-N 3.34Å
147	T	96.2	Very high	93.1	Very high	30 Å²	30	31 Å²	31	18%	0.184	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	0.7	179.7	60.3	0	0	0	0	114.4	W106 S129 T131 W174	W106-T147 HydrophobicContact CH2-CG2 4.04Å; W106-T147 HydrophobicContact CZ2-CG2 3.95Å; S129-T147 PolarHBondContact O-N 2.88Å; S129-T147 VanDerWaalsContact O-N 3.12Å; T131-T147 HydrophobicContact CG2-CG2 3.68Å; T147-W174 HydrophobicContact CG2-CD2 4.12Å; T147-W174 HydrophobicContact CG2-CE3 4.33Å; T147-W174 HydrophobicContact CG2-CG 4.5Å; T147-W174 PolarHBondContact O-NE1 3.42Å
148	D	94.9	Very high	92.4	Very high	41 Å²	41	27.7 Å²	27.7	22%	0.219	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	22.8	175.5	72.1	-28.9	0	0	0	112.1	C128 S146 H150 R152	C128-D148 HydrophobicContact CB-CB 4.23Å; C128-D148 PolarHBondContact SG-OD2 3.19Å; S146-D148 WeakPolarHBondContact CB-OD1 3.29Å; S146-D148 PolarHBondContact O-N 3.38Å; S146-D148 PolarHBondContact OG-OD1 3.37Å; D148-H150 PolarHBondContact O-CD2 2.82Å; D148-H150 PolarHBondContact O-N 3.02Å; D148-H150 IonicContact OD2-CD2 2.91Å; D148-R152 VanDerWaalsContact CG-NH1 3.27Å; D148-R152 IonicContact OD1-CZ 3.5Å; D148-R152 IonicContact OD1-NH1 2.8Å; D148-R152 PolarHBondContact OD1-NH1 2.5Å; D148-R152 IonicContact OD1-NH2 3.07Å; D148-R152 IonicContact OD2-CZ 3.61Å; D148-R152 VanDerWaalsContact OD2-CZ 3.24Å; D148-R152 IonicContact OD2-NH1 3.49Å; D148-R152 PolarHBondContact OD2-NH1 3.3Å; D148-R152 IonicContact OD2-NH2 3.96Å; D148-R152 PolarHBondContact OD2-NH2 3.39Å
149	D	94.9	Very high	91.2	Very high	45 Å²	45	32.1 Å²	32.1	24%	0.241	15%	0.154	C	C	.	.	S	Bend	trans	68.7	15.6	172.2	-40.3	-25	0	0	0	114.4	H171 K173 W174	D149-H171 WeakPolarHBondContact O-CB 3.39Å; D149-K173 WeakPolarHBondContact CA-O 3.45Å; D149-K173 WeakPolarHBondContact CB-O 3.4Å; D149-K173 WeakPolarHBondContact OD1-CA 3.42Å; D149-W174 PolarHBondContact OD1-N 2.91Å
150	H	94.7	Very high	90	Very high	51 Å²	51	38.2 Å²	38.2	24%	0.236	18%	0.181	C	C	.	.			trans	-114.5	152.9	-179.4	-63.5	-27.8	0	0	0	112.4	S146 D148 I167 V175	S146-H150 PolarHBondContact N-O 2.81Å; S146-H150 PolarHBondContact OG-O 3.39Å; D148-H150 PolarHBondContact O-CD2 2.82Å; D148-H150 PolarHBondContact O-N 3.02Å; D148-H150 IonicContact OD2-CD2 2.91Å; H150-I167 HydrophobicContact CB-CG2 3.75Å; H150-V175 WeakPolarHBondContact O-CG2 3.15Å
151	V	96.4	Very high	88.3	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.2	162.2	-176.1	0	0	0	0	107.3	I143 S144 F168 V175 V178 F188	I143-V151 HydrophobicContact CB-CG1 4.12Å; S144-V151 WeakPolarHBondContact O-CA 3.49Å; S144-V151 WeakPolarHBondContact O-CG1 3.09Å; V151-F168 HydrophobicContact CB-CB 4.06Å; V151-F168 HydrophobicContact CB-CD2 3.96Å; V151-F168 HydrophobicContact CB-CG 4.41Å; V151-F168 HydrophobicContact CG1-CD2 4.04Å; V151-F168 PolarHBondContact N-O 2.64Å; V151-F168 WeakPolarHBondContact O-CD2 3.2Å; V151-F168 PolarHBondContact O-N 2.81Å; V151-V175 HydrophobicContact CG2-CG1 4.03Å; V151-V175 HydrophobicContact CG2-CG2 3.98Å; V151-V178 HydrophobicContact CG1-CG1 4.12Å; V151-V178 HydrophobicContact CG2-CG1 4.18Å; V151-F188 HydrophobicContact CB-CE2 4.46Å; V151-F188 HydrophobicContact CG1-CE2 3.88Å; V151-F188 HydrophobicContact CG1-CZ 4.4Å
152	R	94.8	Very high	86.9	Confident	11 Å²	11	43.3 Å²	43.3	4%	0.042	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.3	179.5	-69.6	176.4	167.1	79.6	-3.5	110.5	C126 I143 S144 S146 D148 W154 V164 I167	C126-R152 VanDerWaalsContact SG-CD 3.58Å; C126-R152 PolarHBondContact SG-NE 2.79Å; I143-R152 CarbonylContact C-O 3.48Å; I143-R152 WeakPolarHBondContact CA-O 3.46Å; S144-R152 PolarHBondContact N-O 3.12Å; S144-R152 PolarHBondContact O-N 3.35Å; S146-R152 PolarHBondContact OG-NH1 2.93Å; D148-R152 VanDerWaalsContact CG-NH1 3.27Å; D148-R152 IonicContact OD1-CZ 3.5Å; D148-R152 IonicContact OD1-NH1 2.8Å; D148-R152 PolarHBondContact OD1-NH1 2.5Å; D148-R152 IonicContact OD1-NH2 3.07Å; D148-R152 IonicContact OD2-CZ 3.61Å; D148-R152 VanDerWaalsContact OD2-CZ 3.24Å; D148-R152 IonicContact OD2-NH1 3.49Å; D148-R152 PolarHBondContact OD2-NH1 3.3Å; D148-R152 IonicContact OD2-NH2 3.96Å; D148-R152 PolarHBondContact OD2-NH2 3.39Å; R152-W154 HydrophobicContact CB-CZ2 3.85Å; R152-W154 HydrophobicContact CG-CZ2 4.36Å; R152-W154 PolarHBondContact O-NE1 2.74Å; R152-V164 HydrophobicContact CB-CG1 4.01Å; R152-V164 HydrophobicContact CG-CG1 3.98Å; R152-V164 HydrophobicContact CG-CG2 4.38Å; R152-I167 HydrophobicContact CG-CG1 4.43Å
153	L	94.4	Very high	85.5	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.7	170.2	-170	66.7	0	0	0	109.6	L141 L142 I143 V164 R165 S166 F168 W180 F202	L141-L153 HydrophobicContact CB-CD1 4.04Å; L141-L153 HydrophobicContact CD1-CD1 4.18Å; L141-L153 HydrophobicContact CD1-CD2 4.38Å; L142-L153 CarbonylContact O-C 3.55Å; L142-L153 WeakPolarHBondContact O-CA 3.45Å; I143-L153 HydrophobicContact CG2-CD1 3.82Å; L153-V164 CarbonylContact O-C 3.54Å; L153-R165 HydrophobicContact CB-CB 4.32Å; L153-R165 HydrophobicContact CD2-CB 4.26Å; L153-R165 HydrophobicContact CD2-CG 4.16Å; L153-R165 HydrophobicContact CG-CB 4.25Å; L153-R165 PolarHBondContact O-N 3.16Å; L153-S166 PolarHBondContact N-O 2.8Å; L153-F168 HydrophobicContact CB-CE2 3.88Å; L153-F168 HydrophobicContact CB-CZ 4.37Å; L153-W180 HydrophobicContact CD1-CH2 4.23Å; L153-W180 HydrophobicContact CD1-CZ2 3.75Å; L153-F202 HydrophobicContact CD2-CD2 4.2Å
154	W	93	Very high	84.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.8	179	-43.6	80.5	0	0	0	110.7	I110 L124 C126 L142 S144 R152 V164	I110-W154 HydrophobicContact CD1-CD2 3.85Å; I110-W154 HydrophobicContact CD1-CG 3.89Å; I110-W154 HydrophobicContact CD1-CZ2 4.06Å; I110-W154 VanDerWaalsContact CD1-NE1 3.34Å; L124-W154 HydrophobicContact CB-CE3 4.03Å; L124-W154 HydrophobicContact CB-CZ3 4.09Å; L124-W154 HydrophobicContact CD1-CB 4.07Å; L124-W154 HydrophobicContact CD1-CE3 4.03Å; C126-W154 HydrophobicContact CB-CH2 3.72Å; C126-W154 HydrophobicContact CB-CZ2 4.23Å; L142-W154 HydrophobicContact CB-CB 3.95Å; L142-W154 HydrophobicContact CD1-CB 4.44Å; L142-W154 PolarHBondContact N-O 2.92Å; L142-W154 PolarHBondContact O-N 2.53Å; S144-W154 PolarHBondContact OG-NE1 2.73Å; R152-W154 HydrophobicContact CB-CZ2 3.85Å; R152-W154 HydrophobicContact CG-CZ2 4.36Å; R152-W154 PolarHBondContact O-NE1 2.74Å; W154-V164 HydrophobicContact CD2-CG2 4.45Å; W154-V164 HydrophobicContact CE3-CG2 4.02Å; W154-V164 HydrophobicContact CH2-CG2 3.29Å; W154-V164 HydrophobicContact CZ2-CG2 3.78Å; W154-V164 HydrophobicContact CZ3-CB 4.4Å; W154-V164 HydrophobicContact CZ3-CG2 3.42Å; W154-V164 VanDerWaalsContact CZ3-CG2 3.42Å
155	D	90.2	Very high	83.9	Confident	38 Å²	38	56.8 Å²	56.8	20%	0.203	27%	0.271	C	S	.	.			trans	-109.2	112.1	167.4	-169.7	-15.2	0	0	0	108.5	L141 R157 S158	L141-D155 HydrophobicContact CD2-CB 4.29Å; D155-R157 PolarHBondContact O-N 3.32Å; D155-R157 WeakPolarHBondContact OD1-CB 3.23Å; D155-R157 PolarHBondContact OD1-N 2.94Å; D155-R157 VanDerWaalsContact OD1-N 3.11Å; D155-R157 IonicContact OD1-NE 3.94Å; D155-R157 PolarHBondContact OD1-NE 3.08Å; D155-S158 WeakPolarHBondContact O-CB 3.27Å; D155-S158 PolarHBondContact O-N 3.34Å
156	P	85.6	Confident	83.7	Confident	11 Å²	11	58.6 Å²	58.6	7%	0.071	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19	-178.9	23.7	-31.2	0	0	0	113.6	M96 V112 Y135 L142 S158	M96-P156 HydrophobicContact SD-CB 4.11Å; M96-P156 HydrophobicContact SD-CG 4.06Å; V112-P156 HydrophobicContact CG2-CB 4.27Å; Y135-P156 HydrophobicContact CE2-CG 4.27Å; L142-P156 HydrophobicContact CD1-CB 3.78Å; L142-P156 HydrophobicContact CD1-CG 4.06Å; L142-P156 HydrophobicContact CG-CG 4.34Å; P156-S158 VanDerWaalsContact C-N 3.27Å
157	R	82.3	Confident	83.6	Confident	130 Å²	130	62 Å²	62	49%	0.491	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.4	-179.6	-66.5	170.6	-79.7	-165.4	-13.7	113.1	Q140 D155	Q140-R157 PolarHBondContact O-NH2 3.48Å; D155-R157 PolarHBondContact O-N 3.32Å; D155-R157 WeakPolarHBondContact OD1-CB 3.23Å; D155-R157 PolarHBondContact OD1-N 2.94Å; D155-R157 VanDerWaalsContact OD1-N 3.11Å; D155-R157 IonicContact OD1-NE 3.94Å; D155-R157 PolarHBondContact OD1-NE 3.08Å
158	S	77.1	Confident	83.6	Confident	15 Å²	15	60.7 Å²	60.7	11%	0.105	29%	0.292	C	S	.	.			trans	-72.9	130	175.2	176.1	0	0	0	0	111.5	D155 P156 E160 M163	D155-S158 WeakPolarHBondContact O-CB 3.27Å; D155-S158 PolarHBondContact O-N 3.34Å; P156-S158 VanDerWaalsContact C-N 3.27Å; S158-E160 PolarHBondContact OG-N 3.05Å; S158-M163 VanDerWaalsContact CB-SD 3.55Å; S158-M163 VanDerWaalsContact OG-CG 3.29Å; S158-M163 WeakPolarHBondContact OG-CG 3.18Å; S158-M163 PolarHBondContact OG-SD 3.02Å
159	H	67.4	Low	83.5	Confident	178 Å²	178	62.3 Å²	62.3	82%	0.824	30%	0.304	S	S	*	.			trans	-94.5	-5.2	177.2	-60.6	-70.9	0	0	0	113.8	G161	H159-G161 VanDerWaalsContact C-N 3.26Å; H159-G161 PolarHBondContact O-N 2.96Å
160	E	65.4	Low	83.4	Confident	152 Å²	152	61.7 Å²	61.7	71%	0.71	31%	0.308	S	S	*	.	S	Bend	trans	-82.9	10.8	-170.6	-68.5	-168.4	165.7	0	0	114.9	S158 K162 M163	S158-E160 PolarHBondContact OG-N 3.05Å; E160-K162 PolarHBondContact O-N 3.01Å; E160-M163 HydrophobicContact CB-CE 4.22Å; E160-M163 HydrophobicContact CB-CG 4.4Å; E160-M163 HydrophobicContact CG-CE 4.4Å; E160-M163 WeakPolarHBondContact OE2-CE 3.44Å
161	G	57.2	Low	83.4	Confident	30 Å²	30	60 Å²	60	31%	0.309	30%	0.3	S	S	.	.	S	Bend	trans	69	-17.5	169.4	0	0	0	0	0	116.8	S125 H159	S125-G161 PolarHBondContact N-O 3.1Å; S125-G161 VanDerWaalsContact N-O 3.17Å; H159-G161 VanDerWaalsContact C-N 3.26Å; H159-G161 PolarHBondContact O-N 2.96Å
162	K	62.7	Low	83.4	Confident	175 Å²	175	63.8 Å²	63.8	76%	0.761	33%	0.327	S	S	*	.			trans	-140.5	86.6	176.7	-68.1	-176.3	-178.9	179.6	0	110	E160	E160-K162 PolarHBondContact O-N 3.01Å
163	M	65.4	Low	83.5	Confident	73 Å²	73	68.6 Å²	68.6	36%	0.36	35%	0.348	S	S	.	.			trans	-138.2	81.1	178.1	-77.4	-154.2	157	0	0	113	S158 E160 R165	S158-M163 VanDerWaalsContact CB-SD 3.55Å; S158-M163 VanDerWaalsContact OG-CG 3.29Å; S158-M163 WeakPolarHBondContact OG-CG 3.18Å; S158-M163 PolarHBondContact OG-SD 3.02Å; E160-M163 HydrophobicContact CB-CE 4.22Å; E160-M163 HydrophobicContact CB-CG 4.4Å; E160-M163 HydrophobicContact CG-CE 4.4Å; E160-M163 WeakPolarHBondContact OE2-CE 3.44Å; M163-R165 PolarHBondContact O-N 2.91Å
164	V	74.3	Confident	83.6	Confident	53 Å²	53	73.9 Å²	73.9	32%	0.321	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	111.9	153.4	-179.7	0	0	0	0	106.9	R152 L153 W154 S166 I167	R152-V164 HydrophobicContact CB-CG1 4.01Å; R152-V164 HydrophobicContact CG-CG1 3.98Å; R152-V164 HydrophobicContact CG-CG2 4.38Å; L153-V164 CarbonylContact O-C 3.54Å; W154-V164 HydrophobicContact CD2-CG2 4.45Å; W154-V164 HydrophobicContact CE3-CG2 4.02Å; W154-V164 HydrophobicContact CH2-CG2 3.29Å; W154-V164 HydrophobicContact CZ2-CG2 3.78Å; W154-V164 HydrophobicContact CZ3-CB 4.4Å; W154-V164 HydrophobicContact CZ3-CG2 3.42Å; W154-V164 VanDerWaalsContact CZ3-CG2 3.42Å; V164-S166 VanDerWaalsContact CG1-O 3.28Å; V164-S166 WeakPolarHBondContact CG1-O 3.32Å; V164-I167 HydrophobicContact CG1-CD1 4.42Å; V164-I167 HydrophobicContact CG1-CG1 3.61Å
165	R	83.6	Confident	83.9	Confident	157 Å²	157	73.9 Å²	73.9	59%	0.592	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	-37.9	177.6	-174.7	176.1	179.3	88.8	3.1	111.3	L153 M163	L153-R165 HydrophobicContact CB-CB 4.32Å; L153-R165 HydrophobicContact CD2-CB 4.26Å; L153-R165 HydrophobicContact CD2-CG 4.16Å; L153-R165 HydrophobicContact CG-CB 4.25Å; L153-R165 PolarHBondContact O-N 3.16Å; M163-R165 PolarHBondContact O-N 2.91Å
166	S	91.4	Very high	84.2	Confident	38 Å²	38	73 Å²	73	27%	0.266	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	149.6	-178.4	-75.2	0	0	0	0	110.7	L153 V164	L153-S166 PolarHBondContact N-O 2.8Å; V164-S166 VanDerWaalsContact CG1-O 3.28Å; V164-S166 WeakPolarHBondContact CG1-O 3.32Å
167	I	93.9	Very high	84.7	Confident	72 Å²	72	73.2 Å²	73.2	37%	0.369	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.5	176	-59	174.6	0	0	0	107.3	H150 R152 V164 V169 T205	H150-I167 HydrophobicContact CB-CG2 3.75Å; R152-I167 HydrophobicContact CG-CG1 4.43Å; V164-I167 HydrophobicContact CG1-CD1 4.42Å; V164-I167 HydrophobicContact CG1-CG1 3.61Å; I167-V169 HydrophobicContact CG2-CG2 4.24Å; I167-T205 WeakPolarHBondContact O-CB 3.43Å
168	F	95.1	Very high	85.4	Confident	1 Å²	1	67.5 Å²	67.5	0%	0.004	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.6	175	-57.6	-87	0	0	0	109.7	V151 L153 F188 W200 F202 S204 T205	V151-F168 HydrophobicContact CB-CB 4.06Å; V151-F168 HydrophobicContact CB-CD2 3.96Å; V151-F168 HydrophobicContact CB-CG 4.41Å; V151-F168 HydrophobicContact CG1-CD2 4.04Å; V151-F168 PolarHBondContact N-O 2.64Å; V151-F168 WeakPolarHBondContact O-CD2 3.2Å; V151-F168 PolarHBondContact O-N 2.81Å; L153-F168 HydrophobicContact CB-CE2 3.88Å; L153-F168 HydrophobicContact CB-CZ 4.37Å; F168-F188 HydrophobicContact CD1-CE1 4.38Å; F168-F188 AromaticContact CD1-CZ 3.82Å; F168-F188 HydrophobicContact CD1-CZ 3.82Å; F168-F188 HydrophobicContact CD2-CE1 4.43Å; F168-F188 HydrophobicContact CD2-CE2 4.44Å; F168-F188 AromaticContact CD2-CZ 3.64Å; F168-F188 HydrophobicContact CD2-CZ 3.64Å; F168-F188 AromaticContact CE1-CE1 3.86Å; F168-F188 HydrophobicContact CE1-CE1 3.86Å; F168-F188 AromaticContact CE1-CZ 3.75Å; F168-F188 HydrophobicContact CE1-CZ 3.75Å; F168-F188 AromaticContact CE2-CE1 3.85Å; F168-F188 HydrophobicContact CE2-CE1 3.85Å; F168-F188 AromaticContact CE2-CZ 3.5Å; F168-F188 HydrophobicContact CE2-CZ 3.5Å; F168-F188 AromaticContact CG-CZ 3.81Å; F168-F188 HydrophobicContact CG-CZ 3.81Å; F168-F188 AromaticContact CZ-CE1 3.57Å; F168-F188 HydrophobicContact CZ-CE1 3.57Å; F168-F188 AromaticContact CZ-CZ 3.6Å; F168-F188 HydrophobicContact CZ-CZ 3.6Å; F168-W200 HydrophobicContact CB-CD2 4.43Å; F168-W200 HydrophobicContact CB-CE3 4.14Å; F168-W200 HydrophobicContact CB-CH2 4.18Å; F168-W200 HydrophobicContact CB-CZ2 4.45Å; F168-W200 HydrophobicContact CB-CZ3 4.01Å; F168-W200 HydrophobicContact CD1-CD2 4.36Å; F168-W200 AromaticContact CD1-CE3 3.83Å; F168-W200 HydrophobicContact CD1-CE3 3.83Å; F168-W200 HydrophobicContact CD1-CZ3 4.3Å; F168-W200 HydrophobicContact CG-CE3 4.35Å; F168-F202 HydrophobicContact CE1-CB 4.48Å; F168-F202 HydrophobicContact CZ-CB 3.97Å; F168-S204 WeakPolarHBondContact CD1-O 3.44Å; F168-T205 VanDerWaalsContact CA-O 3.25Å; F168-T205 WeakPolarHBondContact CA-O 3.39Å; F168-T205 HydrophobicContact CD1-CG2 4.39Å; F168-T205 HydrophobicContact CE1-CG2 4.12Å
169	V	94.4	Very high	86.4	Confident	75 Å²	75	67.8 Å²	67.8	46%	0.455	35%	0.348	S	S	.	.			trans	-104.9	126.4	-178.5	-177.3	0	0	0	0	108.3	I167 T205	I167-V169 HydrophobicContact CG2-CG2 4.24Å; V169-T205 PolarHBondContact N-O 3.06Å
170	G	92.2	Very high	87.8	Confident	33 Å²	33	59.3 Å²	59.3	34%	0.34	31%	0.309	S	S	.	.			trans	165.5	-19.1	175.9	0	0	0	0	0	115.2	K198	G170-K198 WeakPolarHBondContact O-CE 3.45Å; G170-K198 PolarHBondContact O-NZ 2.78Å
171	H	95.6	Very high	89.2	Confident	14 Å²	14	52.1 Å²	52.1	7%	0.065	28%	0.275	C	S	.	.			trans	-78.5	153.8	165.3	-79.8	-61.8	0	0	0	110.9	D149 V175 S190 S192 D194 L196	D149-H171 WeakPolarHBondContact O-CB 3.39Å; H171-V175 HydrophobicContact CB-CG2 4.36Å; H171-S190 PolarHBondContact CD2-OG 3.28Å; H171-S190 PolarHBondContact NE2-OG 3.37Å; H171-S192 WeakPolarHBondContact CE1-CB 3.46Å; H171-S192 WeakPolarHBondContact ND1-CB 3.37Å; H171-D194 WeakPolarHBondContact CA-OD2 3.44Å; H171-D194 IonicContact CE1-OD1 3.34Å; H171-D194 IonicContact CE1-OD2 2.82Å; H171-D194 IonicContact CG-OD2 3.83Å; H171-D194 IonicContact ND1-OD1 3.85Å; H171-D194 PolarHBondContact ND1-OD1 3.02Å; H171-D194 IonicContact ND1-OD2 3.57Å; H171-D194 PolarHBondContact ND1-OD2 3.3Å; H171-L196 PolarHBondContact CE1-O 3.37Å
172	S	96.1	Very high	90.8	Very high	82 Å²	82	55 Å²	55	57%	0.573	28%	0.279	S	S	*	.	S	Bend	trans	-115.4	0.8	-178.3	60.4	0	0	0	0	114	D194	S172-D194 PolarHBondContact N-OD2 2.81Å; S172-D194 VanDerWaalsContact N-OD2 3.08Å; S172-D194 VanDerWaalsContact OG-CB 3.24Å; S172-D194 WeakPolarHBondContact OG-CB 3Å
173	K	97.2	Very high	92.1	Very high	112 Å²	112	50.6 Å²	50.6	49%	0.487	27%	0.267	S	S	.	.	S	Bend	trans	-149.8	174.7	175.8	-65	-176	-178.6	171.1	0	109.8	D149 V175 S192 Y193 D194	D149-K173 WeakPolarHBondContact CA-O 3.45Å; D149-K173 WeakPolarHBondContact CB-O 3.4Å; D149-K173 WeakPolarHBondContact OD1-CA 3.42Å; K173-V175 PolarHBondContact O-N 3.36Å; K173-S192 PolarHBondContact O-OG 3.44Å; K173-Y193 VanDerWaalsContact CD-O 3.31Å; K173-Y193 WeakPolarHBondContact CD-O 3.28Å; K173-D194 HydrophobicContact CB-CB 4.18Å; K173-D194 HydrophobicContact CD-CB 4.47Å; K173-D194 HydrophobicContact CG-CB 4.28Å
174	W	96.4	Very high	93.3	Very high	112 Å²	112	50 Å²	50	42%	0.424	27%	0.265	S	S	.	.			trans	-46.6	128.3	-176.5	-64.4	2.5	0	0	0	111.9	W106 T147 D149 S176 S192 Y193	W106-W174 HydrophobicContact CH2-CH2 4.28Å; W106-W174 HydrophobicContact CH2-CZ3 4.33Å; T147-W174 HydrophobicContact CG2-CD2 4.12Å; T147-W174 HydrophobicContact CG2-CE3 4.33Å; T147-W174 HydrophobicContact CG2-CG 4.5Å; T147-W174 PolarHBondContact O-NE1 3.42Å; D149-W174 PolarHBondContact OD1-N 2.91Å; W174-S176 PolarHBondContact O-N 3.39Å; W174-S192 VanDerWaalsContact O-CA 3.28Å; W174-S192 WeakPolarHBondContact O-CA 3.42Å; W174-S192 WeakPolarHBondContact O-CB 3.42Å; W174-S192 PolarHBondContact O-OG 3.39Å; W174-Y193 HydrophobicContact CB-CD1 4.38Å; W174-Y193 HydrophobicContact CB-CG 4.2Å; W174-Y193 HydrophobicContact CE3-CD1 4.43Å; W174-Y193 HydrophobicContact CE3-CE1 4.02Å; W174-Y193 PolarHBondContact O-N 3.21Å
175	V	97.8	Very high	94.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	122.8	168.7	-178.2	0	0	0	0	106.7	T131 S146 H150 V151 H171 K173 V178 A191	T131-V175 VanDerWaalsContact CB-O 3.24Å; T131-V175 WeakPolarHBondContact CB-O 3.37Å; T131-V175 PolarHBondContact OG1-O 3.22Å; S146-V175 PolarHBondContact O-N 3.34Å; H150-V175 WeakPolarHBondContact O-CG2 3.15Å; V151-V175 HydrophobicContact CG2-CG1 4.03Å; V151-V175 HydrophobicContact CG2-CG2 3.98Å; H171-V175 HydrophobicContact CB-CG2 4.36Å; K173-V175 PolarHBondContact O-N 3.36Å; V175-V178 HydrophobicContact CG1-CG1 3.69Å; V175-A191 CarbonylContact C-O 3.6Å; V175-A191 WeakPolarHBondContact CA-O 3.47Å; V175-A191 WeakPolarHBondContact CG1-O 3.47Å
176	S	97	Very high	94.7	Very high	20 Å²	20	46.1 Å²	46.1	14%	0.14	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-36.9	-175.1	54	0	0	0	0	112.7	W174 A191 I219	W174-S176 PolarHBondContact O-N 3.39Å; S176-A191 PolarHBondContact N-O 2.86Å; S176-A191 PolarHBondContact OG-O 2.96Å; S176-I219 VanDerWaalsContact CB-O 3.27Å; S176-I219 WeakPolarHBondContact CB-O 3.24Å; S176-I219 PolarHBondContact OG-O 3.13Å
177	A	96.8	Very high	94.8	Very high	15 Å²	15	45.8 Å²	45.8	12%	0.124	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	153.7	179.9	0	0	0	0	0	110.9	S190 A191	A177-S190 WeakPolarHBondContact O-CA 3.28Å; A177-A191 HydrophobicContact CB-CB 4.25Å; A177-A191 PolarHBondContact N-O 3.37Å; A177-A191 PolarHBondContact O-N 2.81Å
178	V	97.5	Very high	94.9	Very high	11 Å²	11	42.3 Å²	42.3	7%	0.067	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.6	175.2	-65.1	0	0	0	0	108.7	A132 I143 V151 V175 I189	A132-V178 HydrophobicContact CB-CG2 3.95Å; I143-V178 HydrophobicContact CD1-CB 3.89Å; I143-V178 HydrophobicContact CD1-CG2 4.26Å; I143-V178 HydrophobicContact CG1-CB 4.06Å; I143-V178 HydrophobicContact CG1-CG2 3.89Å; V151-V178 HydrophobicContact CG1-CG1 4.12Å; V151-V178 HydrophobicContact CG2-CG1 4.18Å; V175-V178 HydrophobicContact CG1-CG1 3.69Å; V178-I189 WeakPolarHBondContact CA-O 3.11Å
179	D	96.9	Very high	95	Very high	21 Å²	21	42.3 Å²	42.3	11%	0.112	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	137.5	171.3	-166.7	28.6	0	0	0	112.6	S134 K182 F188 I189 F224	S134-D179 PolarHBondContact OG-OD1 3.32Å; D179-K182 IonicContact OD1-NZ 3.97Å; D179-K182 PolarHBondContact OD1-NZ 2.89Å; D179-K182 IonicContact OD2-NZ 3.17Å; D179-F188 CarbonylContact O-C 3.53Å; D179-F188 WeakPolarHBondContact O-CA 3.19Å; D179-F188 WeakPolarHBondContact O-CB 3.49Å; D179-I189 HydrophobicContact CB-CG1 4.25Å; D179-I189 PolarHBondContact N-O 3.17Å; D179-I189 PolarHBondContact O-N 2.93Å; D179-F224 HydrophobicContact CB-CB 4.41Å; D179-F224 PolarHBondContact OD2-N 3.4Å
180	W	96.4	Very high	95.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	140.9	174	-83.7	105.4	0	0	0	111.6	S134 S136 N139 L141 I143 L153 K182 E185 L187 F188 F202	S134-W180 VanDerWaalsContact O-CD1 3.29Å; S134-W180 PolarHBondContact O-NE1 2.75Å; S134-W180 PolarHBondContact OG-N 2.88Å; S136-W180 VanDerWaalsContact CB-CG 3.47Å; N139-W180 WeakPolarHBondContact ND2-CH2 3.45Å; N139-W180 WeakPolarHBondContact ND2-CZ3 3.19Å; L141-W180 HydrophobicContact CB-CZ2 4.08Å; I143-W180 HydrophobicContact CD1-CD2 4.26Å; I143-W180 HydrophobicContact CD1-CG 4.05Å; I143-W180 HydrophobicContact CG1-CG 4.43Å; I143-W180 HydrophobicContact CG2-CH2 4.44Å; I143-W180 HydrophobicContact CG2-CZ2 3.52Å; L153-W180 HydrophobicContact CD1-CH2 4.23Å; L153-W180 HydrophobicContact CD1-CZ2 3.75Å; W180-K182 WeakPolarHBondContact O-CE 3.43Å; W180-K182 PolarHBondContact O-N 3.32Å; W180-K182 PolarHBondContact O-NZ 2.86Å; W180-E185 WeakPolarHBondContact CZ3-O 3.46Å; W180-L187 VanDerWaalsContact CE3-O 3.31Å; W180-F188 HydrophobicContact CD2-CB 3.99Å; W180-F188 HydrophobicContact CE3-CB 3.84Å; W180-F188 HydrophobicContact CE3-CD1 4.43Å; W180-F188 HydrophobicContact CG-CB 4.37Å; W180-F188 HydrophobicContact CH2-CD1 4.13Å; W180-F188 HydrophobicContact CZ3-CB 4.3Å; W180-F188 HydrophobicContact CZ3-CD1 4.05Å; W180-F202 HydrophobicContact CH2-CB 3.85Å; W180-F202 AromaticContact CH2-CD1 3.77Å; W180-F202 HydrophobicContact CH2-CD1 3.77Å; W180-F202 HydrophobicContact CH2-CG 4.08Å; W180-F202 HydrophobicContact CZ3-CB 4.43Å; W180-F202 AromaticContact CZ3-CD1 3.99Å; W180-F202 HydrophobicContact CZ3-CD1 3.99Å
181	S	94.6	Very high	95.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	19%	0.189	C	C	.	.			trans	-59.2	133.7	166.5	-175.3	0	0	0	0	110.5	T183 N184 L187	S181-T183 VanDerWaalsContact C-N 3.29Å; S181-T183 PolarHBondContact OG-N 3.01Å; S181-T183 PolarHBondContact OG-OG1 2.97Å; S181-N184 WeakPolarHBondContact CB-O 3.36Å; S181-N184 PolarHBondContact OG-N 3.19Å; S181-L187 WeakPolarHBondContact CB-O 3.4Å; S181-L187 PolarHBondContact N-O 3.34Å
182	K	91.2	Very high	95.5	Very high	89 Å²	89	36.5 Å²	36.5	39%	0.387	19%	0.186	S	C	.	.	S	Bend	trans	-84.5	-3.2	176	-49.5	-52.5	175.4	-149.2	0	113.6	D179 W180	D179-K182 IonicContact OD1-NZ 3.97Å; D179-K182 PolarHBondContact OD1-NZ 2.89Å; D179-K182 IonicContact OD2-NZ 3.17Å; W180-K182 WeakPolarHBondContact O-CE 3.43Å; W180-K182 PolarHBondContact O-N 3.32Å; W180-K182 PolarHBondContact O-NZ 2.86Å
183	T	89.9	Confident	95.6	Very high	83 Å²	83	35.8 Å²	35.8	51%	0.509	17%	0.172	S	C	.	.	S	Bend	trans	-119.9	-27.2	-177.4	54.7	0	0	0	0	114.1	S181 P227	S181-T183 VanDerWaalsContact C-N 3.29Å; S181-T183 PolarHBondContact OG-N 3.01Å; S181-T183 PolarHBondContact OG-OG1 2.97Å; T183-P227 HydrophobicContact CG2-CB 3.7Å; T183-P227 HydrophobicContact CG2-CG 3.82Å
184	N	91.6	Very high	95.6	Very high	60 Å²	60	31.6 Å²	31.6	32%	0.321	15%	0.154	S	C	.	.			trans	-120.7	117.6	179.1	-172.6	-26.3	0	0	0	109.4	S181 H186 L187	S181-N184 WeakPolarHBondContact CB-O 3.36Å; S181-N184 PolarHBondContact OG-N 3.19Å; N184-H186 PolarHBondContact O-N 3.37Å; N184-H186 VanDerWaalsContact O-N 3.13Å; N184-H186 WeakPolarHBondContact OD1-CB 3.21Å; N184-H186 PolarHBondContact OD1-N 2.87Å; N184-L187 HydrophobicContact CB-CB 4.25Å; N184-L187 HydrophobicContact CB-CD1 4.02Å; N184-L187 HydrophobicContact CB-CG 4.07Å; N184-L187 WeakPolarHBondContact ND2-CD1 3.36Å; N184-L187 PolarHBondContact O-N 3.01Å
185	E	92.8	Very high	95.7	Very high	87 Å²	87	27.1 Å²	27.1	41%	0.407	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.4	-178.6	70.4	179.3	166.8	0	0	114	L138 N139 W180 F202	L138-E185 HydrophobicContact CB-CB 3.75Å; L138-E185 HydrophobicContact CD1-CB 4.31Å; N139-E185 HydrophobicContact CB-CB 4.28Å; N139-E185 PolarHBondContact ND2-O 3.38Å; W180-E185 WeakPolarHBondContact CZ3-O 3.46Å; E185-F202 WeakPolarHBondContact O-CE1 3.39Å
186	H	93.1	Very high	95.6	Very high	43 Å²	43	29.2 Å²	29.2	20%	0.199	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-20.4	-178.8	-60.9	-50.2	0	0	0	114.1	N184 D201 F202	N184-H186 PolarHBondContact O-N 3.37Å; N184-H186 VanDerWaalsContact O-N 3.13Å; N184-H186 WeakPolarHBondContact OD1-CB 3.21Å; N184-H186 PolarHBondContact OD1-N 2.87Å; H186-D201 CarbonylContact O-C 3.57Å; H186-D201 WeakPolarHBondContact O-CA 3.36Å; H186-F202 VanDerWaalsContact CA-CD1 3.5Å; H186-F202 HydrophobicContact CB-CD1 4.25Å; H186-F202 HydrophobicContact CB-CE1 4.22Å; H186-F202 AromaticContact ND1-CD1 3.93Å; H186-F202 AromaticContact ND1-CE1 3.09Å; H186-F202 WeakPolarHBondContact ND1-CE1 3.31Å; H186-F202 AromaticContact ND1-CZ 3.56Å; H186-F202 PolarHBondContact O-N 2.85Å
187	L	94.9	Very high	95.6	Very high	30 Å²	30	28.2 Å²	28.2	16%	0.157	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.9	-165.9	-60.7	-178.5	0	0	0	113	W180 S181 N184 L199 W200 D201 L209 F224	W180-L187 VanDerWaalsContact CE3-O 3.31Å; S181-L187 WeakPolarHBondContact CB-O 3.4Å; S181-L187 PolarHBondContact N-O 3.34Å; N184-L187 HydrophobicContact CB-CB 4.25Å; N184-L187 HydrophobicContact CB-CD1 4.02Å; N184-L187 HydrophobicContact CB-CG 4.07Å; N184-L187 WeakPolarHBondContact ND2-CD1 3.36Å; N184-L187 PolarHBondContact O-N 3.01Å; L187-L199 HydrophobicContact CB-CD1 4.26Å; L187-W200 VanDerWaalsContact CA-O 3.31Å; L187-W200 WeakPolarHBondContact CA-O 3.49Å; L187-W200 WeakPolarHBondContact CD2-O 3.23Å; L187-D201 HydrophobicContact CD2-CB 4.33Å; L187-L209 HydrophobicContact CD2-CD1 3.43Å; L187-L209 VanDerWaalsContact CD2-CD1 3.43Å; L187-F224 HydrophobicContact CB-CE1 4.22Å
188	F	96.2	Very high	95.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	162	169.2	68	-89.9	0	0	0	110.8	I143 V151 F168 D179 W180 W200 F202	I143-F188 HydrophobicContact CD1-CB 3.53Å; I143-F188 HydrophobicContact CD1-CD2 3.53Å; I143-F188 HydrophobicContact CD1-CE2 4.37Å; I143-F188 HydrophobicContact CD1-CG 3.62Å; I143-F188 HydrophobicContact CG2-CD1 4.43Å; I143-F188 HydrophobicContact CG2-CG 4.45Å; V151-F188 HydrophobicContact CB-CE2 4.46Å; V151-F188 HydrophobicContact CG1-CE2 3.88Å; V151-F188 HydrophobicContact CG1-CZ 4.4Å; F168-F188 HydrophobicContact CD1-CE1 4.38Å; F168-F188 AromaticContact CD1-CZ 3.82Å; F168-F188 HydrophobicContact CD1-CZ 3.82Å; F168-F188 HydrophobicContact CD2-CE1 4.43Å; F168-F188 HydrophobicContact CD2-CE2 4.44Å; F168-F188 AromaticContact CD2-CZ 3.64Å; F168-F188 HydrophobicContact CD2-CZ 3.64Å; F168-F188 AromaticContact CE1-CE1 3.86Å; F168-F188 HydrophobicContact CE1-CE1 3.86Å; F168-F188 AromaticContact CE1-CZ 3.75Å; F168-F188 HydrophobicContact CE1-CZ 3.75Å; F168-F188 AromaticContact CE2-CE1 3.85Å; F168-F188 HydrophobicContact CE2-CE1 3.85Å; F168-F188 AromaticContact CE2-CZ 3.5Å; F168-F188 HydrophobicContact CE2-CZ 3.5Å; F168-F188 AromaticContact CG-CZ 3.81Å; F168-F188 HydrophobicContact CG-CZ 3.81Å; F168-F188 AromaticContact CZ-CE1 3.57Å; F168-F188 HydrophobicContact CZ-CE1 3.57Å; F168-F188 AromaticContact CZ-CZ 3.6Å; F168-F188 HydrophobicContact CZ-CZ 3.6Å; D179-F188 CarbonylContact O-C 3.53Å; D179-F188 WeakPolarHBondContact O-CA 3.19Å; D179-F188 WeakPolarHBondContact O-CB 3.49Å; W180-F188 HydrophobicContact CD2-CB 3.99Å; W180-F188 HydrophobicContact CE3-CB 3.84Å; W180-F188 HydrophobicContact CE3-CD1 4.43Å; W180-F188 HydrophobicContact CG-CB 4.37Å; W180-F188 HydrophobicContact CH2-CD1 4.13Å; W180-F188 HydrophobicContact CZ3-CB 4.3Å; W180-F188 HydrophobicContact CZ3-CD1 4.05Å; F188-W200 HydrophobicContact CD1-CB 3.91Å; F188-W200 HydrophobicContact CD2-CB 3.97Å; F188-W200 AromaticContact CD2-CD1 3.84Å; F188-W200 HydrophobicContact CD2-CG 4.16Å; F188-W200 HydrophobicContact CE1-CB 3.43Å; F188-W200 VanDerWaalsContact CE1-CB 3.43Å; F188-W200 HydrophobicContact CE1-CG 4.23Å; F188-W200 HydrophobicContact CE2-CB 3.5Å; F188-W200 AromaticContact CE2-CD1 3.32Å; F188-W200 HydrophobicContact CE2-CD2 4.36Å; F188-W200 AromaticContact CE2-CG 3.45Å; F188-W200 HydrophobicContact CE2-CG 3.45Å; F188-W200 VanDerWaalsContact CE2-CG 3.45Å; F188-W200 HydrophobicContact CG-CB 4.15Å; F188-W200 HydrophobicContact CZ-CB 3.21Å; F188-W200 AromaticContact CZ-CD1 3.87Å; F188-W200 HydrophobicContact CZ-CD2 4.24Å; F188-W200 AromaticContact CZ-CG 3.49Å; F188-W200 HydrophobicContact CZ-CG 3.49Å; F188-W200 VanDerWaalsContact CZ-CG 3.49Å; F188-W200 PolarHBondContact N-O 2.89Å; F188-W200 VanDerWaalsContact N-O 3.15Å; F188-W200 PolarHBondContact O-N 3.04Å; F188-F202 HydrophobicContact CD1-CB 4.28Å; F188-F202 HydrophobicContact CE1-CB 3.93Å
189	I	97	Very high	95.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	153.1	175.4	59.8	172.7	0	0	0	110.9	V178 D179 M197 K198 L199 C222 F224 M230	V178-I189 WeakPolarHBondContact CA-O 3.11Å; D179-I189 HydrophobicContact CB-CG1 4.25Å; D179-I189 PolarHBondContact N-O 3.17Å; D179-I189 PolarHBondContact O-N 2.93Å; I189-M197 HydrophobicContact CB-CG 4.43Å; I189-M197 HydrophobicContact CD1-SD 3.87Å; I189-K198 CarbonylContact C-O 3.58Å; I189-K198 VanDerWaalsContact CA-O 3.24Å; I189-K198 WeakPolarHBondContact CA-O 3.33Å; I189-L199 HydrophobicContact CG2-CB 4.47Å; I189-L199 HydrophobicContact CG2-CD1 3.86Å; I189-C222 HydrophobicContact CD1-CB 3.71Å; I189-C222 HydrophobicContact CG1-CB 4.42Å; I189-F224 HydrophobicContact CB-CD1 4.45Å; I189-F224 HydrophobicContact CD1-CB 3.7Å; I189-F224 HydrophobicContact CD1-CG 4.38Å; I189-F224 HydrophobicContact CG1-CB 3.88Å; I189-F224 HydrophobicContact CG1-CD1 4.22Å; I189-F224 HydrophobicContact CG1-CG 4.44Å; I189-F224 HydrophobicContact CG2-CD1 3.68Å; I189-F224 HydrophobicContact CG2-CE1 4.03Å; I189-F224 HydrophobicContact CG2-CG 4.36Å; I189-M230 HydrophobicContact CG2-CG 4.23Å; I189-M230 HydrophobicContact CG2-SD 3.73Å
190	S	97.5	Very high	95.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136.8	169.7	60.5	0	0	0	0	110.5	H171 A177 M197 K198 W200	H171-S190 PolarHBondContact CD2-OG 3.28Å; H171-S190 PolarHBondContact NE2-OG 3.37Å; A177-S190 WeakPolarHBondContact O-CA 3.28Å; S190-M197 CarbonylContact O-C 3.6Å; S190-M197 VanDerWaalsContact O-CA 3.24Å; S190-M197 WeakPolarHBondContact O-CA 3.44Å; S190-M197 WeakPolarHBondContact O-CG 3.43Å; S190-K198 PolarHBondContact N-O 2.88Å; S190-K198 PolarHBondContact O-N 2.91Å; S190-W200 PolarHBondContact OG-NE1 3.2Å
191	A	97.7	Very high	95.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	144.7	172.4	0	0	0	0	0	109.8	V175 S176 A177 I219 C222	V175-A191 CarbonylContact C-O 3.6Å; V175-A191 WeakPolarHBondContact CA-O 3.47Å; V175-A191 WeakPolarHBondContact CG1-O 3.47Å; S176-A191 PolarHBondContact N-O 2.86Å; S176-A191 PolarHBondContact OG-O 2.96Å; A177-A191 HydrophobicContact CB-CB 4.25Å; A177-A191 PolarHBondContact N-O 3.37Å; A177-A191 PolarHBondContact O-N 2.81Å; A191-I219 HydrophobicContact CB-CB 3.93Å; A191-I219 HydrophobicContact CB-CG2 3.49Å; A191-I219 VanDerWaalsContact CB-CG2 3.49Å; A191-C222 HydrophobicContact CB-CB 3.97Å
192	S	98	Very high	95.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	163.7	-178.4	172.2	0	0	0	0	113.2	H171 K173 W174 D194 A195 L196 I219	H171-S192 WeakPolarHBondContact CE1-CB 3.46Å; H171-S192 WeakPolarHBondContact ND1-CB 3.37Å; K173-S192 PolarHBondContact O-OG 3.44Å; W174-S192 VanDerWaalsContact O-CA 3.28Å; W174-S192 WeakPolarHBondContact O-CA 3.42Å; W174-S192 WeakPolarHBondContact O-CB 3.42Å; W174-S192 PolarHBondContact O-OG 3.39Å; S192-D194 VanDerWaalsContact CB-OD1 3.23Å; S192-D194 WeakPolarHBondContact CB-OD1 3.07Å; S192-D194 PolarHBondContact O-N 2.98Å; S192-D194 VanDerWaalsContact OG-CG 3.29Å; S192-D194 PolarHBondContact OG-N 2.92Å; S192-D194 PolarHBondContact OG-OD1 3.35Å; S192-A195 PolarHBondContact O-N 2.78Å; S192-L196 PolarHBondContact N-O 2.9Å; S192-I219 PolarHBondContact O-N 3.3Å
193	Y	98.1	Very high	95.3	Very high	68 Å²	68	33 Å²	33	27%	0.267	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-7.3	172.4	-82	-147.6	0	0	0	112.9	K173 W174 A195 R218 L220	K173-Y193 VanDerWaalsContact CD-O 3.31Å; K173-Y193 WeakPolarHBondContact CD-O 3.28Å; W174-Y193 HydrophobicContact CB-CD1 4.38Å; W174-Y193 HydrophobicContact CB-CG 4.2Å; W174-Y193 HydrophobicContact CE3-CD1 4.43Å; W174-Y193 HydrophobicContact CE3-CE1 4.02Å; W174-Y193 PolarHBondContact O-N 3.21Å; Y193-A195 PolarHBondContact O-N 3.06Å; Y193-R218 VanDerWaalsContact CD1-CD 3.43Å; Y193-R218 HydrophobicContact CD1-CG 3.96Å; Y193-R218 HydrophobicContact CD2-CB 4.11Å; Y193-R218 HydrophobicContact CD2-CG 4.28Å; Y193-R218 HydrophobicContact CG-CB 4.09Å; Y193-R218 HydrophobicContact CG-CG 3.73Å; Y193-R218 WeakPolarHBondContact O-CG 3.37Å; Y193-L220 HydrophobicContact CE2-CD2 3.9Å
194	D	97.1	Very high	95.4	Very high	23 Å²	23	31.1 Å²	31.1	12%	0.123	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	8.1	171.9	66.1	11.7	0	0	0	113.9	H171 S172 K173 S192 L196	H171-D194 WeakPolarHBondContact CA-OD2 3.44Å; H171-D194 IonicContact CE1-OD1 3.34Å; H171-D194 IonicContact CE1-OD2 2.82Å; H171-D194 IonicContact CG-OD2 3.83Å; H171-D194 IonicContact ND1-OD1 3.85Å; H171-D194 PolarHBondContact ND1-OD1 3.02Å; H171-D194 IonicContact ND1-OD2 3.57Å; H171-D194 PolarHBondContact ND1-OD2 3.3Å; S172-D194 PolarHBondContact N-OD2 2.81Å; S172-D194 VanDerWaalsContact N-OD2 3.08Å; S172-D194 VanDerWaalsContact OG-CB 3.24Å; S172-D194 WeakPolarHBondContact OG-CB 3Å; K173-D194 HydrophobicContact CB-CB 4.18Å; K173-D194 HydrophobicContact CD-CB 4.47Å; K173-D194 HydrophobicContact CG-CB 4.28Å; S192-D194 VanDerWaalsContact CB-OD1 3.23Å; S192-D194 WeakPolarHBondContact CB-OD1 3.07Å; S192-D194 PolarHBondContact O-N 2.98Å; S192-D194 VanDerWaalsContact OG-CG 3.29Å; S192-D194 PolarHBondContact OG-N 2.92Å; S192-D194 PolarHBondContact OG-OD1 3.35Å; D194-L196 PolarHBondContact O-N 3.31Å; D194-L196 VanDerWaalsContact OD1-CB 3.32Å; D194-L196 WeakPolarHBondContact OD1-CB 3.21Å; D194-L196 PolarHBondContact OD1-N 2.79Å
195	A	96.9	Very high	95.2	Very high	19 Å²	19	30.3 Å²	30.3	16%	0.157	15%	0.146	C	C	.	.	S	Bend	trans	66.3	14.1	-178	0	0	0	0	0	114.3	S192 Y193 D217	S192-A195 PolarHBondContact O-N 2.78Å; Y193-A195 PolarHBondContact O-N 3.06Å; A195-D217 WeakPolarHBondContact CA-O 3.24Å; A195-D217 WeakPolarHBondContact CB-O 3.43Å
196	L	96.9	Very high	95.1	Very high	43 Å²	43	34.4 Å²	34.4	23%	0.225	16%	0.162	C	C	.	.			trans	-110.7	139.2	175.5	-59.6	172.6	0	0	0	110.9	H171 S192 D194	H171-L196 PolarHBondContact CE1-O 3.37Å; S192-L196 PolarHBondContact N-O 2.9Å; D194-L196 PolarHBondContact O-N 3.31Å; D194-L196 VanDerWaalsContact OD1-CB 3.32Å; D194-L196 WeakPolarHBondContact OD1-CB 3.21Å; D194-L196 PolarHBondContact OD1-N 2.79Å
197	M	97.1	Very high	94.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.3	158.7	-175	171.1	74.3	0	0	107.4	I189 S190 L212 I219 C222 M230 Y242	I189-M197 HydrophobicContact CB-CG 4.43Å; I189-M197 HydrophobicContact CD1-SD 3.87Å; S190-M197 CarbonylContact O-C 3.6Å; S190-M197 VanDerWaalsContact O-CA 3.24Å; S190-M197 WeakPolarHBondContact O-CA 3.44Å; S190-M197 WeakPolarHBondContact O-CG 3.43Å; M197-L212 HydrophobicContact CB-CB 4.19Å; M197-L212 HydrophobicContact CE-CB 4.33Å; M197-L212 HydrophobicContact CE-CD1 3.4Å; M197-L212 VanDerWaalsContact CE-CD1 3.4Å; M197-L212 HydrophobicContact CG-CD1 4.38Å; M197-L212 PolarHBondContact N-O 3.28Å; M197-L212 WeakPolarHBondContact O-CA 3.19Å; M197-L212 WeakPolarHBondContact O-CB 3.12Å; M197-L212 PolarHBondContact O-N 2.82Å; M197-I219 HydrophobicContact CB-CD1 3.83Å; M197-I219 VanDerWaalsContact N-CD1 3.35Å; M197-C222 HydrophobicContact SD-CB 3.74Å; M197-M230 HydrophobicContact CE-CB 3.82Å; M197-Y242 HydrophobicContact CE-CD2 3.33Å; M197-Y242 HydrophobicContact CE-CE2 3.58Å; M197-Y242 HydrophobicContact CE-CG 4.25Å
198	K	96.3	Very high	94.8	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.035	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.5	-178.5	-69.8	179.8	-177.2	-86.2	0	109.8	G170 I189 S190 W200 P208 Y210 D211	G170-K198 WeakPolarHBondContact O-CE 3.45Å; G170-K198 PolarHBondContact O-NZ 2.78Å; I189-K198 CarbonylContact C-O 3.58Å; I189-K198 VanDerWaalsContact CA-O 3.24Å; I189-K198 WeakPolarHBondContact CA-O 3.33Å; S190-K198 PolarHBondContact N-O 2.88Å; S190-K198 PolarHBondContact O-N 2.91Å; K198-W200 HydrophobicContact CB-CZ2 4.03Å; K198-W200 VanDerWaalsContact CB-NE1 3.33Å; K198-W200 HydrophobicContact CD-CH2 4.42Å; K198-W200 HydrophobicContact CD-CZ2 3.68Å; K198-W200 HydrophobicContact CG-CZ2 4.48Å; K198-P208 HydrophobicContact CB-CB 4.17Å; K198-P208 HydrophobicContact CD-CB 4.29Å; K198-P208 HydrophobicContact CD-CG 4.19Å; K198-P208 HydrophobicContact CG-CB 4.43Å; K198-Y210 WeakPolarHBondContact CA-O 3.46Å; K198-D211 IonicContact NZ-OD1 3.38Å; K198-D211 PolarHBondContact NZ-OD1 2.93Å; K198-D211 IonicContact NZ-OD2 2.69Å; K198-D211 PolarHBondContact NZ-OD2 3.38Å
199	L	95.9	Very high	94.7	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.052	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.7	168.9	176.1	60.8	0	0	0	108.6	L187 I189 L209 Y210 F224 M230	L187-L199 HydrophobicContact CB-CD1 4.26Å; I189-L199 HydrophobicContact CG2-CB 4.47Å; I189-L199 HydrophobicContact CG2-CD1 3.86Å; L199-L209 HydrophobicContact CD2-CD1 4.48Å; L199-L209 HydrophobicContact CG-CB 4.34Å; L199-L209 HydrophobicContact CG-CD1 4.25Å; L199-L209 WeakPolarHBondContact O-CB 3.24Å; L199-L209 PolarHBondContact O-N 3.16Å; L199-Y210 HydrophobicContact CD2-CD2 4Å; L199-Y210 PolarHBondContact N-O 2.84Å; L199-Y210 PolarHBondContact O-N 3.19Å; L199-F224 HydrophobicContact CD1-CE1 3.8Å; L199-F224 HydrophobicContact CD1-CZ 4.44Å; L199-M230 HydrophobicContact CD1-SD 4.21Å; L199-M230 HydrophobicContact CD2-CE 4.5Å; L199-M230 HydrophobicContact CD2-SD 4.25Å
200	W	96.2	Very high	94.5	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	148.9	-175.9	-61.3	91.6	0	0	0	111.3	F168 L187 F188 S190 K198 P208	F168-W200 HydrophobicContact CB-CD2 4.43Å; F168-W200 HydrophobicContact CB-CE3 4.14Å; F168-W200 HydrophobicContact CB-CH2 4.18Å; F168-W200 HydrophobicContact CB-CZ2 4.45Å; F168-W200 HydrophobicContact CB-CZ3 4.01Å; F168-W200 HydrophobicContact CD1-CD2 4.36Å; F168-W200 AromaticContact CD1-CE3 3.83Å; F168-W200 HydrophobicContact CD1-CE3 3.83Å; F168-W200 HydrophobicContact CD1-CZ3 4.3Å; F168-W200 HydrophobicContact CG-CE3 4.35Å; L187-W200 VanDerWaalsContact CA-O 3.31Å; L187-W200 WeakPolarHBondContact CA-O 3.49Å; L187-W200 WeakPolarHBondContact CD2-O 3.23Å; F188-W200 HydrophobicContact CD1-CB 3.91Å; F188-W200 HydrophobicContact CD2-CB 3.97Å; F188-W200 AromaticContact CD2-CD1 3.84Å; F188-W200 HydrophobicContact CD2-CG 4.16Å; F188-W200 HydrophobicContact CE1-CB 3.43Å; F188-W200 VanDerWaalsContact CE1-CB 3.43Å; F188-W200 HydrophobicContact CE1-CG 4.23Å; F188-W200 HydrophobicContact CE2-CB 3.5Å; F188-W200 AromaticContact CE2-CD1 3.32Å; F188-W200 HydrophobicContact CE2-CD2 4.36Å; F188-W200 AromaticContact CE2-CG 3.45Å; F188-W200 HydrophobicContact CE2-CG 3.45Å; F188-W200 VanDerWaalsContact CE2-CG 3.45Å; F188-W200 HydrophobicContact CG-CB 4.15Å; F188-W200 HydrophobicContact CZ-CB 3.21Å; F188-W200 AromaticContact CZ-CD1 3.87Å; F188-W200 HydrophobicContact CZ-CD2 4.24Å; F188-W200 AromaticContact CZ-CG 3.49Å; F188-W200 HydrophobicContact CZ-CG 3.49Å; F188-W200 VanDerWaalsContact CZ-CG 3.49Å; F188-W200 PolarHBondContact N-O 2.89Å; F188-W200 VanDerWaalsContact N-O 3.15Å; F188-W200 PolarHBondContact O-N 3.04Å; S190-W200 PolarHBondContact OG-NE1 3.2Å; K198-W200 HydrophobicContact CB-CZ2 4.03Å; K198-W200 VanDerWaalsContact CB-NE1 3.33Å; K198-W200 HydrophobicContact CD-CH2 4.42Å; K198-W200 HydrophobicContact CD-CZ2 3.68Å; K198-W200 HydrophobicContact CG-CZ2 4.48Å; W200-P208 HydrophobicContact CD2-CB 4Å; W200-P208 HydrophobicContact CE3-CB 3.88Å; W200-P208 HydrophobicContact CH2-CB 3.92Å; W200-P208 HydrophobicContact CH2-CG 4.2Å; W200-P208 HydrophobicContact CZ2-CB 4.04Å; W200-P208 HydrophobicContact CZ3-CB 3.84Å; W200-P208 HydrophobicContact CZ3-CG 4.34Å
201	D	94.5	Very high	94.4	Very high	19 Å²	19	51.7 Å²	51.7	10%	0.102	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.5	157.5	-174.8	-28.8	0	0	0	107	H186 L187 R203 S204 L209	H186-D201 CarbonylContact O-C 3.57Å; H186-D201 WeakPolarHBondContact O-CA 3.36Å; L187-D201 HydrophobicContact CD2-CB 4.33Å; D201-R203 PolarHBondContact O-N 2.83Å; D201-R203 VanDerWaalsContact OD1-CB 3.29Å; D201-R203 WeakPolarHBondContact OD1-CB 3.21Å; D201-R203 WeakPolarHBondContact OD1-CG 3.36Å; D201-R203 IonicContact OD1-CZ 3.9Å; D201-R203 PolarHBondContact OD1-N 3.39Å; D201-R203 IonicContact OD1-NE 2.81Å; D201-R203 PolarHBondContact OD1-NE 3.27Å; D201-R203 IonicContact OD1-NH2 2.96Å; D201-R203 IonicContact OD2-CZ 3.32Å; D201-R203 VanDerWaalsContact OD2-CZ 3.32Å; D201-R203 IonicContact OD2-NE 3.12Å; D201-R203 PolarHBondContact OD2-NE 3.22Å; D201-R203 VanDerWaalsContact OD2-NE 3.12Å; D201-R203 IonicContact OD2-NH2 2.68Å; D201-R203 PolarHBondContact OD2-NH2 3.39Å; D201-S204 CarbonylContact O-C 3.56Å; D201-S204 PolarHBondContact O-N 3.47Å; D201-S204 VanDerWaalsContact O-O 3.05Å; D201-L209 HydrophobicContact CB-CD1 4.01Å; D201-L209 HydrophobicContact CB-CD2 4.24Å; D201-L209 HydrophobicContact CB-CG 4.11Å
202	F	91.8	Very high	94.2	Very high	40 Å²	40	52.8 Å²	52.8	18%	0.175	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.7	-176.7	83.8	-106.9	0	0	0	113.3	L141 L153 F168 W180 E185 H186 F188 S204	L141-F202 HydrophobicContact CD1-CE2 4.44Å; L153-F202 HydrophobicContact CD2-CD2 4.2Å; F168-F202 HydrophobicContact CE1-CB 4.48Å; F168-F202 HydrophobicContact CZ-CB 3.97Å; W180-F202 HydrophobicContact CH2-CB 3.85Å; W180-F202 AromaticContact CH2-CD1 3.77Å; W180-F202 HydrophobicContact CH2-CD1 3.77Å; W180-F202 HydrophobicContact CH2-CG 4.08Å; W180-F202 HydrophobicContact CZ3-CB 4.43Å; W180-F202 AromaticContact CZ3-CD1 3.99Å; W180-F202 HydrophobicContact CZ3-CD1 3.99Å; E185-F202 WeakPolarHBondContact O-CE1 3.39Å; H186-F202 VanDerWaalsContact CA-CD1 3.5Å; H186-F202 HydrophobicContact CB-CD1 4.25Å; H186-F202 HydrophobicContact CB-CE1 4.22Å; H186-F202 AromaticContact ND1-CD1 3.93Å; H186-F202 AromaticContact ND1-CE1 3.09Å; H186-F202 WeakPolarHBondContact ND1-CE1 3.31Å; H186-F202 AromaticContact ND1-CZ 3.56Å; H186-F202 PolarHBondContact O-N 2.85Å; F188-F202 HydrophobicContact CD1-CB 4.28Å; F188-F202 HydrophobicContact CE1-CB 3.93Å; F202-S204 VanDerWaalsContact C-N 3.26Å; F202-S204 PolarHBondContact O-N 3.23Å
203	R	91.8	Very high	94	Very high	160 Å²	160	56.8 Å²	56.8	60%	0.604	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-18	176.5	-56.9	173.5	-65.1	-179.8	6.3	112.4	D201	D201-R203 PolarHBondContact O-N 2.83Å; D201-R203 VanDerWaalsContact OD1-CB 3.29Å; D201-R203 WeakPolarHBondContact OD1-CB 3.21Å; D201-R203 WeakPolarHBondContact OD1-CG 3.36Å; D201-R203 IonicContact OD1-CZ 3.9Å; D201-R203 PolarHBondContact OD1-N 3.39Å; D201-R203 IonicContact OD1-NE 2.81Å; D201-R203 PolarHBondContact OD1-NE 3.27Å; D201-R203 IonicContact OD1-NH2 2.96Å; D201-R203 IonicContact OD2-CZ 3.32Å; D201-R203 VanDerWaalsContact OD2-CZ 3.32Å; D201-R203 IonicContact OD2-NE 3.12Å; D201-R203 PolarHBondContact OD2-NE 3.22Å; D201-R203 VanDerWaalsContact OD2-NE 3.12Å; D201-R203 IonicContact OD2-NH2 2.68Å; D201-R203 PolarHBondContact OD2-NH2 3.39Å
204	S	91.3	Very high	93.7	Very high	43 Å²	43	55.7 Å²	55.7	30%	0.301	29%	0.294	S	S	.	.			trans	-114.1	109.8	177.2	177.6	0	0	0	0	110.9	F168 D201 F202 V207	F168-S204 WeakPolarHBondContact CD1-O 3.44Å; D201-S204 CarbonylContact O-C 3.56Å; D201-S204 PolarHBondContact O-N 3.47Å; D201-S204 VanDerWaalsContact O-O 3.05Å; F202-S204 VanDerWaalsContact C-N 3.26Å; F202-S204 PolarHBondContact O-N 3.23Å; S204-V207 PolarHBondContact OG-O 3.29Å
205	T	88.9	Confident	93.6	Very high	43 Å²	43	55.4 Å²	55.4	26%	0.264	29%	0.291	S	S	.	.	S	Bend	trans	-90.6	-23.2	-174.9	54.8	0	0	0	0	114.4	I167 F168 V169	I167-T205 WeakPolarHBondContact O-CB 3.43Å; F168-T205 VanDerWaalsContact CA-O 3.25Å; F168-T205 WeakPolarHBondContact CA-O 3.39Å; F168-T205 HydrophobicContact CD1-CG2 4.39Å; F168-T205 HydrophobicContact CE1-CG2 4.12Å; V169-T205 PolarHBondContact N-O 3.06Å
206	K	89.2	Confident	93.5	Very high	172 Å²	172	59 Å²	59	75%	0.748	32%	0.315	S	S	*	.	S	Bend	trans	-102.2	-18.2	-172.2	-63.4	-173.7	-179.7	-177.5	0	114.1
207	V	90.6	Very high	93.5	Very high	94 Å²	94	59.7 Å²	59.7	57%	0.57	32%	0.319	S	S	*	.			trans	-133.5	117.2	-173.1	-176.3	0	0	0	0	108.7	S204	S204-V207 PolarHBondContact OG-O 3.29Å
208	P	92.5	Very high	93.5	Very high	25 Å²	25	64.4 Å²	64.4	16%	0.162	34%	0.337	C	S	.	.			trans	-67.9	152.7	170.2	30.3	-34.2	0	0	0	110	K198 W200 D211	K198-P208 HydrophobicContact CB-CB 4.17Å; K198-P208 HydrophobicContact CD-CB 4.29Å; K198-P208 HydrophobicContact CD-CG 4.19Å; K198-P208 HydrophobicContact CG-CB 4.43Å; W200-P208 HydrophobicContact CD2-CB 4Å; W200-P208 HydrophobicContact CE3-CB 3.88Å; W200-P208 HydrophobicContact CH2-CB 3.92Å; W200-P208 HydrophobicContact CH2-CG 4.2Å; W200-P208 HydrophobicContact CZ2-CB 4.04Å; W200-P208 HydrophobicContact CZ3-CB 3.84Å; W200-P208 HydrophobicContact CZ3-CG 4.34Å; P208-D211 WeakPolarHBondContact CG-OD1 3.34Å
209	L	93	Very high	93.5	Very high	81 Å²	81	64 Å²	64	42%	0.424	34%	0.336	S	S	.	.	S	Bend	trans	-68.5	-42.7	174.9	-67.2	177.7	0	0	0	111.4	L187 L199 D201	L187-L209 HydrophobicContact CD2-CD1 3.43Å; L187-L209 VanDerWaalsContact CD2-CD1 3.43Å; L199-L209 HydrophobicContact CD2-CD1 4.48Å; L199-L209 HydrophobicContact CG-CB 4.34Å; L199-L209 HydrophobicContact CG-CD1 4.25Å; L199-L209 WeakPolarHBondContact O-CB 3.24Å; L199-L209 PolarHBondContact O-N 3.16Å; D201-L209 HydrophobicContact CB-CD1 4.01Å; D201-L209 HydrophobicContact CB-CD2 4.24Å; D201-L209 HydrophobicContact CB-CG 4.11Å
210	Y	93.5	Very high	93.6	Very high	155 Å²	155	67.6 Å²	67.6	61%	0.608	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.8	141.3	-179	-66.5	-85.1	0	0	0	111.7	K198 L199	K198-Y210 WeakPolarHBondContact CA-O 3.46Å; L199-Y210 HydrophobicContact CD2-CD2 4Å; L199-Y210 PolarHBondContact N-O 2.84Å; L199-Y210 PolarHBondContact O-N 3.19Å
211	D	94.9	Very high	93.5	Very high	81 Å²	81	71 Å²	71	43%	0.433	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	101.7	166.8	-75.7	4.4	0	0	0	108.8	K198 P208 S213	K198-D211 IonicContact NZ-OD1 3.38Å; K198-D211 PolarHBondContact NZ-OD1 2.93Å; K198-D211 IonicContact NZ-OD2 2.69Å; K198-D211 PolarHBondContact NZ-OD2 3.38Å; P208-D211 WeakPolarHBondContact CG-OD1 3.34Å; D211-S213 PolarHBondContact O-N 3.36Å; D211-S213 VanDerWaalsContact O-N 3.08Å
212	L	94.1	Very high	93.6	Very high	24 Å²	24	71.1 Å²	71.1	13%	0.126	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	85.1	-179.9	-54.3	172.5	0	0	0	108.7	M197 M230 Y242	M197-L212 HydrophobicContact CB-CB 4.19Å; M197-L212 HydrophobicContact CE-CB 4.33Å; M197-L212 HydrophobicContact CE-CD1 3.4Å; M197-L212 VanDerWaalsContact CE-CD1 3.4Å; M197-L212 HydrophobicContact CG-CD1 4.38Å; M197-L212 PolarHBondContact N-O 3.28Å; M197-L212 WeakPolarHBondContact O-CA 3.19Å; M197-L212 WeakPolarHBondContact O-CB 3.12Å; M197-L212 PolarHBondContact O-N 2.82Å; L212-M230 HydrophobicContact CD1-CE 3.93Å; L212-M230 HydrophobicContact CD1-SD 3.93Å; L212-Y242 HydrophobicContact CB-CD1 3.93Å; L212-Y242 HydrophobicContact CB-CD2 4.36Å; L212-Y242 HydrophobicContact CB-CE1 3.74Å; L212-Y242 HydrophobicContact CB-CE2 4.19Å; L212-Y242 HydrophobicContact CB-CG 4.23Å; L212-Y242 HydrophobicContact CD1-CD2 4.34Å; L212-Y242 HydrophobicContact CD1-CG 4.18Å; L212-Y242 HydrophobicContact CD2-CD1 3.93Å; L212-Y242 HydrophobicContact CD2-CG 4.23Å; L212-Y242 HydrophobicContact CG-CD1 4.36Å; L212-Y242 HydrophobicContact CG-CG 4.45Å; L212-Y242 PolarHBondContact O-OH 3.49Å
213	S	93.5	Very high	93.8	Very high	83 Å²	83	71.8 Å²	71.8	58%	0.58	39%	0.385	S	S	*	.			trans	-78.4	162.9	174.9	61.1	0	0	0	0	111.9	D211 Y242	D211-S213 PolarHBondContact O-N 3.36Å; D211-S213 VanDerWaalsContact O-N 3.08Å; S213-Y242 VanDerWaalsContact O-CE1 3.28Å; S213-Y242 WeakPolarHBondContact O-CE1 3.34Å; S213-Y242 PolarHBondContact O-OH 3.24Å
214	G	91.8	Very high	93.9	Very high	46 Å²	46	64.5 Å²	64.5	47%	0.474	36%	0.357	S	S	.	.			trans	148.1	-23.4	175.6	0	0	0	0	0	114
215	H	94.4	Very high	93.7	Very high	16 Å²	16	64.9 Å²	64.9	7%	0.074	36%	0.36	C	S	.	.			trans	-81.8	145.2	170.3	-74.4	-71.4	0	0	0	111.1	D217 I219 S232 G234 D236 K238 N240	H215-D217 WeakPolarHBondContact CB-O 3.32Å; H215-I219 HydrophobicContact CB-CD1 4.49Å; H215-I219 HydrophobicContact CB-CG1 4.13Å; H215-S232 PolarHBondContact CD2-OG 3.32Å; H215-S232 VanDerWaalsContact CD2-OG 3.32Å; H215-S232 PolarHBondContact NE2-O 3.08Å; H215-S232 PolarHBondContact NE2-OG 3.15Å; H215-G234 PolarHBondContact CE1-N 3.31Å; H215-G234 VanDerWaalsContact CE1-N 3.32Å; H215-D236 VanDerWaalsContact CA-OD2 3.32Å; H215-D236 WeakPolarHBondContact CA-OD2 3.34Å; H215-D236 IonicContact CE1-OD1 2.93Å; H215-D236 IonicContact CG-OD2 3.68Å; H215-D236 IonicContact ND1-OD1 3.39Å; H215-D236 PolarHBondContact ND1-OD1 2.98Å; H215-D236 IonicContact ND1-OD2 3.78Å; H215-D236 PolarHBondContact ND1-OD2 2.78Å; H215-D236 VanDerWaalsContact ND1-OD2 3.17Å; H215-K238 PolarHBondContact CE1-O 2.81Å; H215-K238 VanDerWaalsContact CE1-O 3.32Å; H215-N240 PolarHBondContact CD2-ND2 2.97Å; H215-N240 VanDerWaalsContact CD2-ND2 3.28Å; H215-N240 PolarHBondContact N-ND2 2.69Å; H215-N240 PolarHBondContact NE2-ND2 2.95Å
216	S	95.3	Very high	93.6	Very high	94 Å²	94	64.3 Å²	64.3	66%	0.657	36%	0.358	S	S	*	.	S	Bend	trans	-96.4	-5.9	174.4	50.5	0	0	0	0	113.6	D236	S216-D236 PolarHBondContact N-OD2 3.42Å; S216-D236 WeakPolarHBondContact OG-CB 3.09Å; S216-D236 PolarHBondContact OG-OD2 2.98Å
217	D	96.2	Very high	93.2	Very high	58 Å²	58	59.4 Å²	59.4	31%	0.31	34%	0.343	S	S	.	.	S	Bend	trans	-143.5	-179.6	177.2	-162.1	-7.6	0	0	0	109.4	A195 H215 V235 D236	A195-D217 WeakPolarHBondContact CA-O 3.24Å; A195-D217 WeakPolarHBondContact CB-O 3.43Å; H215-D217 WeakPolarHBondContact CB-O 3.32Å; D217-V235 HydrophobicContact CB-CB 4.2Å; D217-V235 VanDerWaalsContact OD2-CG1 3.31Å; D217-V235 WeakPolarHBondContact OD2-CG1 3.31Å; D217-D236 HydrophobicContact CB-CB 4.25Å
218	R	96.9	Very high	93	Very high	100 Å²	100	58.4 Å²	58.4	38%	0.377	34%	0.341	S	S	.	.			trans	-46.3	135.1	179.3	-63.5	166.4	-76.9	-178.4	2	112.1	Y193 G234 V235	Y193-R218 VanDerWaalsContact CD1-CD 3.43Å; Y193-R218 HydrophobicContact CD1-CG 3.96Å; Y193-R218 HydrophobicContact CD2-CB 4.11Å; Y193-R218 HydrophobicContact CD2-CG 4.28Å; Y193-R218 HydrophobicContact CG-CB 4.09Å; Y193-R218 HydrophobicContact CG-CG 3.73Å; Y193-R218 WeakPolarHBondContact O-CG 3.37Å; R218-G234 WeakPolarHBondContact O-CA 3.37Å; R218-V235 HydrophobicContact CB-CG2 3.98Å; R218-V235 WeakPolarHBondContact O-CG2 3.48Å; R218-V235 PolarHBondContact O-N 2.9Å
219	I	97.8	Very high	92.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.4	169.9	-50	-176.2	0	0	0	107.9	S176 A191 S192 M197 H215 C221 G233	S176-I219 VanDerWaalsContact CB-O 3.27Å; S176-I219 WeakPolarHBondContact CB-O 3.24Å; S176-I219 PolarHBondContact OG-O 3.13Å; A191-I219 HydrophobicContact CB-CB 3.93Å; A191-I219 HydrophobicContact CB-CG2 3.49Å; A191-I219 VanDerWaalsContact CB-CG2 3.49Å; S192-I219 PolarHBondContact O-N 3.3Å; M197-I219 HydrophobicContact CB-CD1 3.83Å; M197-I219 VanDerWaalsContact N-CD1 3.35Å; H215-I219 HydrophobicContact CB-CD1 4.49Å; H215-I219 HydrophobicContact CB-CG1 4.13Å; I219-C221 WeakPolarHBondContact CG2-O 3.2Å; I219-G233 WeakPolarHBondContact CG2-O 3.19Å
220	L	96.6	Very high	92.9	Very high	85 Å²	85	57 Å²	57	45%	0.445	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-31.5	-177.5	-62.4	-175.7	0	0	0	113.1	Y193 G233 V235	Y193-L220 HydrophobicContact CE2-CD2 3.9Å; L220-G233 PolarHBondContact N-O 3.01Å; L220-V235 HydrophobicContact CD1-CG2 3.76Å; L220-V235 HydrophobicContact CD2-CG2 3.83Å; L220-V235 HydrophobicContact CG-CG2 3.7Å
221	C	95.5	Very high	93	Very high	72 Å²	72	52 Å²	52	49%	0.486	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	154.3	-177.8	60.3	0	0	0	0	111.4	I219 S232 G233	I219-C221 WeakPolarHBondContact CG2-O 3.2Å; C221-S232 WeakPolarHBondContact O-CA 3.28Å; C221-G233 PolarHBondContact N-O 2.75Å; C221-G233 PolarHBondContact O-N 3.34Å
222	C	96.2	Very high	93.1	Very high	22 Å²	22	48.2 Å²	48.2	15%	0.149	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.8	173.4	62.8	0	0	0	0	110.8	I189 A191 M197 L231	I189-C222 HydrophobicContact CD1-CB 3.71Å; I189-C222 HydrophobicContact CG1-CB 4.42Å; A191-C222 HydrophobicContact CB-CB 3.97Å; M197-C222 HydrophobicContact SD-CB 3.74Å; C222-L231 CarbonylContact C-O 3.57Å; C222-L231 WeakPolarHBondContact CA-O 3.37Å
223	D	95.6	Very high	93.3	Very high	53 Å²	53	47.6 Å²	47.6	28%	0.283	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131.9	176	177.3	33.5	0	0	0	110.6	S225 L231	D223-S225 VanDerWaalsContact OD1-CB 3.23Å; D223-S225 WeakPolarHBondContact OD1-CB 3.36Å; D223-S225 PolarHBondContact OD1-N 3.3Å; D223-S225 PolarHBondContact OD1-OG 2.97Å; D223-S225 PolarHBondContact OD2-OG 2.76Å; D223-L231 HydrophobicContact CB-CB 4.27Å; D223-L231 HydrophobicContact CB-CD1 4.46Å; D223-L231 PolarHBondContact N-O 2.79Å; D223-L231 PolarHBondContact O-N 3.31Å
224	F	94.4	Very high	93.4	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	35.7	173.5	-155.8	176.5	0	0	0	112.3	D179 L187 I189 L199 S226 M230	D179-F224 HydrophobicContact CB-CB 4.41Å; D179-F224 PolarHBondContact OD2-N 3.4Å; L187-F224 HydrophobicContact CB-CE1 4.22Å; I189-F224 HydrophobicContact CB-CD1 4.45Å; I189-F224 HydrophobicContact CD1-CB 3.7Å; I189-F224 HydrophobicContact CD1-CG 4.38Å; I189-F224 HydrophobicContact CG1-CB 3.88Å; I189-F224 HydrophobicContact CG1-CD1 4.22Å; I189-F224 HydrophobicContact CG1-CG 4.44Å; I189-F224 HydrophobicContact CG2-CD1 3.68Å; I189-F224 HydrophobicContact CG2-CE1 4.03Å; I189-F224 HydrophobicContact CG2-CG 4.36Å; L199-F224 HydrophobicContact CD1-CE1 3.8Å; L199-F224 HydrophobicContact CD1-CZ 4.44Å; F224-S226 VanDerWaalsContact C-N 3.3Å; F224-S226 PolarHBondContact O-N 3.32Å; F224-M230 HydrophobicContact CD1-CG 4.4Å; F224-M230 HydrophobicContact CD2-CG 3.68Å; F224-M230 HydrophobicContact CE1-CG 4.34Å; F224-M230 HydrophobicContact CE1-SD 4.22Å; F224-M230 HydrophobicContact CE2-CG 3.62Å; F224-M230 HydrophobicContact CE2-SD 4.28Å; F224-M230 HydrophobicContact CG-CG 4.09Å; F224-M230 HydrophobicContact CZ-CG 3.96Å; F224-M230 HydrophobicContact CZ-SD 4.01Å
225	S	87.5	Confident	93.6	Very high	52 Å²	52	45 Å²	45	36%	0.364	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	-36.4	175.3	60.9	0	0	0	0	114	D223	D223-S225 VanDerWaalsContact OD1-CB 3.23Å; D223-S225 WeakPolarHBondContact OD1-CB 3.36Å; D223-S225 PolarHBondContact OD1-N 3.3Å; D223-S225 PolarHBondContact OD1-OG 2.97Å; D223-S225 PolarHBondContact OD2-OG 2.76Å
226	S	86.3	Confident	93.7	Very high	31 Å²	31	46 Å²	46	22%	0.217	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	140.8	-172.7	-65.9	0	0	0	0	112.7	F224 S228 F229	F224-S226 VanDerWaalsContact C-N 3.3Å; F224-S226 PolarHBondContact O-N 3.32Å; S226-S228 PolarHBondContact O-N 2.96Å; S226-F229 VanDerWaalsContact CB-CE1 3.45Å; S226-F229 VanDerWaalsContact CB-CE2 3.47Å; S226-F229 WeakPolarHBondContact OG-CE2 3.48Å; S226-F229 WeakPolarHBondContact OG-CZ 3.45Å
227	P	80.2	Confident	93.7	Very high	68 Å²	68	45 Å²	45	44%	0.442	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.1	178.9	22.8	-32.1	0	0	0	113.5	T183 T244	T183-P227 HydrophobicContact CG2-CB 3.7Å; T183-P227 HydrophobicContact CG2-CG 3.82Å; P227-T244 PolarHBondContact O-OG1 2.82Å
228	S	86.2	Confident	93.7	Very high	74 Å²	74	47.1 Å²	47.1	52%	0.517	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-21.2	-170.5	-55.5	0	0	0	0	113.8	S226 R243	S226-S228 PolarHBondContact O-N 2.96Å; S228-R243 WeakPolarHBondContact O-CA 3.5Å
229	F	90.3	Very high	93.7	Very high	72 Å²	72	47.4 Å²	47.4	32%	0.316	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	142.4	-175.6	51.6	-94.9	0	0	0	112.3	S226 L231 V241 Y242	S226-F229 VanDerWaalsContact CB-CE1 3.45Å; S226-F229 VanDerWaalsContact CB-CE2 3.47Å; S226-F229 WeakPolarHBondContact OG-CE2 3.48Å; S226-F229 WeakPolarHBondContact OG-CZ 3.45Å; F229-L231 HydrophobicContact CD2-CD1 4.22Å; F229-L231 HydrophobicContact CD2-CD2 3.98Å; F229-L231 HydrophobicContact CD2-CG 3.98Å; F229-L231 HydrophobicContact CE2-CD1 4.25Å; F229-L231 HydrophobicContact CE2-CG 4.49Å; F229-V241 HydrophobicContact CB-CG1 4Å; F229-Y242 CarbonylContact C-O 3.58Å; F229-Y242 WeakPolarHBondContact CA-O 3.25Å
230	M	94.1	Very high	93.6	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.025	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.1	168.4	-61.4	165	-75.1	0	0	107.5	I189 M197 L199 L212 F224 Y242 T244	I189-M230 HydrophobicContact CG2-CG 4.23Å; I189-M230 HydrophobicContact CG2-SD 3.73Å; M197-M230 HydrophobicContact CE-CB 3.82Å; L199-M230 HydrophobicContact CD1-SD 4.21Å; L199-M230 HydrophobicContact CD2-CE 4.5Å; L199-M230 HydrophobicContact CD2-SD 4.25Å; L212-M230 HydrophobicContact CD1-CE 3.93Å; L212-M230 HydrophobicContact CD1-SD 3.93Å; F224-M230 HydrophobicContact CD1-CG 4.4Å; F224-M230 HydrophobicContact CD2-CG 3.68Å; F224-M230 HydrophobicContact CE1-CG 4.34Å; F224-M230 HydrophobicContact CE1-SD 4.22Å; F224-M230 HydrophobicContact CE2-CG 3.62Å; F224-M230 HydrophobicContact CE2-SD 4.28Å; F224-M230 HydrophobicContact CG-CG 4.09Å; F224-M230 HydrophobicContact CZ-CG 3.96Å; F224-M230 HydrophobicContact CZ-SD 4.01Å; M230-Y242 PolarHBondContact N-O 2.74Å; M230-Y242 PolarHBondContact O-N 3.38Å; M230-T244 HydrophobicContact CE-CG2 3.98Å
231	L	96.1	Very high	93.5	Very high	48 Å²	48	48.9 Å²	48.9	25%	0.251	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.9	-176.2	-53.6	176.8	0	0	0	110.2	C222 D223 F229 N240 V241	C222-L231 CarbonylContact C-O 3.57Å; C222-L231 WeakPolarHBondContact CA-O 3.37Å; D223-L231 HydrophobicContact CB-CB 4.27Å; D223-L231 HydrophobicContact CB-CD1 4.46Å; D223-L231 PolarHBondContact N-O 2.79Å; D223-L231 PolarHBondContact O-N 3.31Å; F229-L231 HydrophobicContact CD2-CD1 4.22Å; F229-L231 HydrophobicContact CD2-CD2 3.98Å; F229-L231 HydrophobicContact CD2-CG 3.98Å; F229-L231 HydrophobicContact CE2-CD1 4.25Å; F229-L231 HydrophobicContact CE2-CG 4.49Å; L231-N240 WeakPolarHBondContact CA-O 3.4Å; L231-V241 HydrophobicContact CD2-CB 4.08Å; L231-V241 HydrophobicContact CD2-CG1 3.82Å; L231-V241 HydrophobicContact CD2-CG2 3.66Å
232	S	96.7	Very high	93.4	Very high	2 Å²	2	47 Å²	47	1%	0.014	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.5	169.1	62.2	0	0	0	0	111.5	H215 C221 V239 N240 Y242	H215-S232 PolarHBondContact CD2-OG 3.32Å; H215-S232 VanDerWaalsContact CD2-OG 3.32Å; H215-S232 PolarHBondContact NE2-O 3.08Å; H215-S232 PolarHBondContact NE2-OG 3.15Å; C221-S232 WeakPolarHBondContact O-CA 3.28Å; S232-V239 CarbonylContact O-C 3.5Å; S232-V239 VanDerWaalsContact O-CA 3.27Å; S232-V239 WeakPolarHBondContact O-CA 3.29Å; S232-N240 PolarHBondContact N-O 2.84Å; S232-N240 PolarHBondContact O-N 2.82Å; S232-Y242 WeakPolarHBondContact OG-CE2 3.41Å
233	G	96.9	Very high	93	Very high	12 Å²	12	55.6 Å²	55.6	12%	0.124	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.9	174.3	0	0	0	0	0	111.2	I219 L220 C221	I219-G233 WeakPolarHBondContact CG2-O 3.19Å; L220-G233 PolarHBondContact N-O 3.01Å; C221-G233 PolarHBondContact N-O 2.75Å; C221-G233 PolarHBondContact O-N 3.34Å
234	G	96.5	Very high	92	Very high	13 Å²	13	56.4 Å²	56.4	13%	0.134	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	159.9	-175.1	0	0	0	0	0	114.3	H215 R218 D236 G237 K238	H215-G234 PolarHBondContact CE1-N 3.31Å; H215-G234 VanDerWaalsContact CE1-N 3.32Å; R218-G234 WeakPolarHBondContact O-CA 3.37Å; G234-D236 WeakPolarHBondContact CA-OD1 3.48Å; G234-D236 PolarHBondContact O-N 3.08Å; G234-G237 PolarHBondContact O-N 2.99Å; G234-K238 PolarHBondContact N-O 3.44Å; G234-K238 VanDerWaalsContact N-O 3.08Å
235	V	97	Very high	90.8	Very high	61 Å²	61	61.8 Å²	61.8	37%	0.37	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.9	171.5	178.7	0	0	0	0	111.8	D217 R218 L220 G237	D217-V235 HydrophobicContact CB-CB 4.2Å; D217-V235 VanDerWaalsContact OD2-CG1 3.31Å; D217-V235 WeakPolarHBondContact OD2-CG1 3.31Å; R218-V235 HydrophobicContact CB-CG2 3.98Å; R218-V235 WeakPolarHBondContact O-CG2 3.48Å; R218-V235 PolarHBondContact O-N 2.9Å; L220-V235 HydrophobicContact CD1-CG2 3.76Å; L220-V235 HydrophobicContact CD2-CG2 3.83Å; L220-V235 HydrophobicContact CG-CG2 3.7Å; V235-G237 PolarHBondContact O-N 2.87Å
236	D	95.3	Very high	89.4	Confident	36 Å²	36	68.9 Å²	68.9	19%	0.193	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	3.7	173.7	63.3	-6.3	0	0	0	114.3	H215 S216 D217 G234 K238	H215-D236 VanDerWaalsContact CA-OD2 3.32Å; H215-D236 WeakPolarHBondContact CA-OD2 3.34Å; H215-D236 IonicContact CE1-OD1 2.93Å; H215-D236 IonicContact CG-OD2 3.68Å; H215-D236 IonicContact ND1-OD1 3.39Å; H215-D236 PolarHBondContact ND1-OD1 2.98Å; H215-D236 IonicContact ND1-OD2 3.78Å; H215-D236 PolarHBondContact ND1-OD2 2.78Å; H215-D236 VanDerWaalsContact ND1-OD2 3.17Å; S216-D236 PolarHBondContact N-OD2 3.42Å; S216-D236 WeakPolarHBondContact OG-CB 3.09Å; S216-D236 PolarHBondContact OG-OD2 2.98Å; D217-D236 HydrophobicContact CB-CB 4.25Å; G234-D236 WeakPolarHBondContact CA-OD1 3.48Å; G234-D236 PolarHBondContact O-N 3.08Å; D236-K238 PolarHBondContact O-N 2.96Å; D236-K238 PolarHBondContact OD1-N 2.89Å
237	G	95.2	Very high	87.3	Confident	74 Å²	74	76.2 Å²	76.2	76%	0.763	42%	0.415	S	S	*	.	S	Bend	trans	74.8	12.8	178.9	0	0	0	0	0	113.4	G234 V235	G234-G237 PolarHBondContact O-N 2.99Å; V235-G237 PolarHBondContact O-N 2.87Å
238	K	96.4	Very high	85	Confident	103 Å²	103	81.9 Å²	81.9	45%	0.448	46%	0.456	S	S	.	.			trans	-103.8	153.9	-179	-62.5	178.2	-174.4	164.9	0	111.2	H215 G234 D236	H215-K238 PolarHBondContact CE1-O 2.81Å; H215-K238 VanDerWaalsContact CE1-O 3.32Å; G234-K238 PolarHBondContact N-O 3.44Å; G234-K238 VanDerWaalsContact N-O 3.08Å; D236-K238 PolarHBondContact O-N 2.96Å; D236-K238 PolarHBondContact OD1-N 2.89Å
239	V	96.6	Very high	85	Confident	106 Å²	106	82.3 Å²	82.3	64%	0.642	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.2	164.9	177.4	0	0	0	0	107.1	S232	S232-V239 CarbonylContact O-C 3.5Å; S232-V239 VanDerWaalsContact O-CA 3.27Å; S232-V239 WeakPolarHBondContact O-CA 3.29Å
240	N	95.3	Very high	84.7	Confident	31 Å²	31	82.8 Å²	82.8	17%	0.166	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	140.5	176.1	-65.6	-19.8	0	0	0	110	H215 L231 S232 Y242	H215-N240 PolarHBondContact CD2-ND2 2.97Å; H215-N240 VanDerWaalsContact CD2-ND2 3.28Å; H215-N240 PolarHBondContact N-ND2 2.69Å; H215-N240 PolarHBondContact NE2-ND2 2.95Å; L231-N240 WeakPolarHBondContact CA-O 3.4Å; S232-N240 PolarHBondContact N-O 2.84Å; S232-N240 PolarHBondContact O-N 2.82Å; N240-Y242 HydrophobicContact CB-CD2 4.36Å; N240-Y242 HydrophobicContact CB-CE2 3.52Å; N240-Y242 PolarHBondContact ND2-OH 3.37Å; N240-Y242 VanDerWaalsContact ND2-OH 3.16Å
241	V	95.1	Very high	84.1	Confident	84 Å²	84	87.1 Å²	87.1	51%	0.509	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.4	177.4	-175.1	0	0	0	0	107.9	F229 L231	F229-V241 HydrophobicContact CB-CG1 4Å; L231-V241 HydrophobicContact CD2-CB 4.08Å; L231-V241 HydrophobicContact CD2-CG1 3.82Å; L231-V241 HydrophobicContact CD2-CG2 3.66Å
242	Y	93.1	Very high	83.4	Confident	34 Å²	34	89.4 Å²	89.4	13%	0.133	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.9	177.7	-56.9	-86.7	0	0	0	108.9	M197 L212 S213 F229 M230 S232 N240	M197-Y242 HydrophobicContact CE-CD2 3.33Å; M197-Y242 HydrophobicContact CE-CE2 3.58Å; M197-Y242 HydrophobicContact CE-CG 4.25Å; L212-Y242 HydrophobicContact CB-CD1 3.93Å; L212-Y242 HydrophobicContact CB-CD2 4.36Å; L212-Y242 HydrophobicContact CB-CE1 3.74Å; L212-Y242 HydrophobicContact CB-CE2 4.19Å; L212-Y242 HydrophobicContact CB-CG 4.23Å; L212-Y242 HydrophobicContact CD1-CD2 4.34Å; L212-Y242 HydrophobicContact CD1-CG 4.18Å; L212-Y242 HydrophobicContact CD2-CD1 3.93Å; L212-Y242 HydrophobicContact CD2-CG 4.23Å; L212-Y242 HydrophobicContact CG-CD1 4.36Å; L212-Y242 HydrophobicContact CG-CG 4.45Å; L212-Y242 PolarHBondContact O-OH 3.49Å; S213-Y242 VanDerWaalsContact O-CE1 3.28Å; S213-Y242 WeakPolarHBondContact O-CE1 3.34Å; S213-Y242 PolarHBondContact O-OH 3.24Å; F229-Y242 CarbonylContact C-O 3.58Å; F229-Y242 WeakPolarHBondContact CA-O 3.25Å; M230-Y242 PolarHBondContact N-O 2.74Å; M230-Y242 PolarHBondContact O-N 3.38Å; S232-Y242 WeakPolarHBondContact OG-CE2 3.41Å; N240-Y242 HydrophobicContact CB-CD2 4.36Å; N240-Y242 HydrophobicContact CB-CE2 3.52Å; N240-Y242 PolarHBondContact ND2-OH 3.37Å; N240-Y242 VanDerWaalsContact ND2-OH 3.16Å
243	R	88.8	Confident	82.6	Confident	201 Å²	201	94.9 Å²	94.9	76%	0.758	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.3	176	-68.4	-175	-173.8	153.5	2.6	110.5	S228 T245	S228-R243 WeakPolarHBondContact O-CA 3.5Å; R243-T245 PolarHBondContact O-N 2.68Å
244	T	75.1	Confident	81.7	Confident	70 Å²	70	100.4 Å²	100.4	43%	0.429	56%	0.555	S	S	.	*			trans	-80.6	107.8	167.3	53.6	0	0	0	0	107.8	P227 M230 K246	P227-T244 PolarHBondContact O-OG1 2.82Å; M230-T244 HydrophobicContact CE-CG2 3.98Å; T244-K246 PolarHBondContact O-N 3.12Å
245	T	68.5	Low	80.6	Confident	121 Å²	121	106.6 Å²	106.6	74%	0.742	59%	0.585	S	S	*	*			trans	-74.4	109.2	163.9	52.6	0	0	0	0	106.3	R243 Q247	R243-T245 PolarHBondContact O-N 2.68Å; T245-Q247 PolarHBondContact O-N 2.98Å
246	K	57.5	Low	79.3	Confident	201 Å²	201	110.2 Å²	110.2	87%	0.874	60%	0.602	S	S	*	*			trans	-55.8	112	158.4	-74.3	-173.6	176.3	-176.3	0	105.7	T244 S248	T244-K246 PolarHBondContact O-N 3.12Å; K246-S248 PolarHBondContact O-N 3.22Å
247	Q	42	Very low	78	Confident	185 Å²	185	116.3 Å²	116.3	86%	0.864	64%	0.636	S	S	*	*			trans	-63.8	118.5	154.9	-75.8	-171.2	-9.8	0	0	104.7	T245	T245-Q247 PolarHBondContact O-N 2.98Å
248	S	32.7	Very low	76.5	Confident	186 Å²	186	120.2 Å²	120.2	100%	1.301	62%	0.624	S	S	*	*			trans	-51.4	0	177	55	0	0	0	0	112.1	K246	K246-S248 PolarHBondContact O-N 3.22Å

Retrieved 248 of 248 residues in 210.9 ms (Link to these results)

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