A0A096M3B1_POEFO Loading...

Beta-crystallin B3

Crystallins are the dominant structural components of the vertebrate eye lens.

AlphaFold DB , UniProt , Accession A0A096M3B1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 246 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.2	Very low	33.5	Very low	243 Å²	243	166.4 Å²	166.4	100%	1.197	89%	0.894	S	S	*	*				0	108.5	0	-72.2	-159.8	-92	0	0	106
2	S	37.1	Very low	33.3	Very low	123 Å²	123	160.2 Å²	160.2	86%	0.86	88%	0.883	S	S	*	*			trans	-116.6	113.5	-174.8	-59.3	0	0	0	0	107.3	Q4	S2-Q4 PolarHBondContact O-N 3.06Å
3	E	34.3	Very low	33.1	Very low	200 Å²	200	155.6 Å²	155.6	94%	0.935	88%	0.879	S	S	*	*			trans	-76.8	117.6	178.7	-71.4	176.8	95.1	0	0	109.6
4	Q	33.8	Very low	32.8	Very low	190 Å²	190	149.8 Å²	149.8	89%	0.888	87%	0.871	S	S	*	*			trans	-81.7	111.7	167.9	-87.6	175.1	-55.1	0	0	109.1	S2 S6	S2-Q4 PolarHBondContact O-N 3.06Å; Q4-S6 PolarHBondContact O-N 3.27Å
5	Q	31.9	Very low	32.8	Very low	195 Å²	195	153.2 Å²	153.2	91%	0.911	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-67	122.7	163.5	-79.3	173.1	-31.9	0	0	109.6
6	S	29.3	Very low	32.9	Very low	121 Å²	121	149.3 Å²	149.3	85%	0.846	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-92.9	126.8	167.7	-67.4	0	0	0	0	109.5	Q4	Q4-S6 PolarHBondContact O-N 3.27Å
7	A	34.5	Very low	32.9	Very low	93 Å²	93	151.9 Å²	151.9	77%	0.769	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-73.9	151.7	177	0	0	0	0	0	111.5
8	P	31.3	Very low	32.9	Very low	124 Å²	124	146.3 Å²	146.3	81%	0.805	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-76.5	127.8	176.6	27.4	-27.2	0	0	0	111.2	Q10	P8-Q10 PolarHBondContact O-N 3.2Å
9	E	30.7	Very low	32.8	Very low	184 Å²	184	142.1 Å²	142.1	86%	0.86	83%	0.832	S	S	*	*			trans	-66.7	114.4	178	-155.5	171.2	116.2	0	0	110.1	L11	E9-L11 PolarHBondContact O-N 3.42Å
10	Q	31.3	Very low	33.1	Very low	189 Å²	189	140.3 Å²	140.3	88%	0.883	83%	0.834	S	S	*	*			trans	-70.5	108.5	172.6	-82	-176.7	-12.8	0	0	109.6	P8 A12	P8-Q10 PolarHBondContact O-N 3.2Å; Q10-A12 PolarHBondContact O-N 3.49Å
11	L	32.6	Very low	33.8	Very low	168 Å²	168	137.5 Å²	137.5	88%	0.88	84%	0.835	S	S	*	*			trans	-69.4	112.5	167.5	-86.3	156.4	0	0	0	109.6	E9	E9-L11 PolarHBondContact O-N 3.42Å
12	A	30.8	Very low	34.6	Very low	92 Å²	92	129 Å²	129	76%	0.76	80%	0.803	S	S	*	*			trans	-57.4	136.3	176.5	0	0	0	0	0	111.7	Q10 G14	Q10-A12 PolarHBondContact O-N 3.49Å; A12-G14 PolarHBondContact O-N 2.73Å
13	A	30.7	Very low	36.9	Very low	101 Å²	101	127 Å²	127	84%	0.835	79%	0.794	S	S	*	*			trans	-54.8	109.2	170.6	0	0	0	0	0	110.1	K15	A13-K15 PolarHBondContact O-N 3.19Å; A13-K15 VanDerWaalsContact O-N 3.13Å
14	G	28.8	Very low	39.7	Very low	74 Å²	74	119.7 Å²	119.7	76%	0.763	76%	0.758	S	S	*	*			trans	-62.4	113	174.3	0	0	0	0	0	110	A12 S16	A12-G14 PolarHBondContact O-N 2.73Å; G14-S16 PolarHBondContact O-N 2.88Å
15	K	32.3	Very low	42.6	Very low	201 Å²	201	113.7 Å²	113.7	87%	0.874	73%	0.73	S	S	*	*			trans	-56.1	112	164.9	-75.1	177.5	175.9	177.2	0	108	A13 Q17	A13-K15 PolarHBondContact O-N 3.19Å; A13-K15 VanDerWaalsContact O-N 3.13Å; K15-Q17 PolarHBondContact O-N 2.88Å
16	S	34.5	Very low	45.8	Very low	91 Å²	91	104.5 Å²	104.5	64%	0.636	69%	0.687	S	S	*	*			trans	-70.8	102.4	173.5	113.9	0	0	0	0	108.1	G14 G18 K108	G14-S16 PolarHBondContact O-N 2.88Å; S16-G18 PolarHBondContact O-N 3.06Å; S16-K108 PolarHBondContact OG-NZ 3.32Å
17	Q	33	Very low	49	Very low	193 Å²	193	99.4 Å²	99.4	90%	0.902	65%	0.65	S	S	*	*			trans	-79	104.5	172.2	-129.7	167.9	-26.6	0	0	107.4	K15	K15-Q17 PolarHBondContact O-N 2.88Å
18	G	32.4	Very low	52	Low	51 Å²	51	95 Å²	95	53%	0.526	61%	0.614	S	S	.	*			trans	-79.5	145.5	176.2	0	0	0	0	0	111.8	S16	S16-G18 PolarHBondContact O-N 3.06Å
19	G	32.8	Very low	55.2	Low	66 Å²	66	90 Å²	90	68%	0.68	58%	0.579	S	S	*	*	S	Bend	trans	-57.7	154.5	164.3	0	0	0	0	0	111.4	G21	G19-G21 PolarHBondContact O-N 2.95Å
20	A	38.2	Very low	58.3	Low	106 Å²	106	82.6 Å²	82.6	88%	0.876	55%	0.545	S	S	*	.	S	Bend	trans	-29.5	111.5	-171.9	0	0	0	0	0	117.1	A22	A20-A22 PolarHBondContact O-N 3.13Å
21	G	47.5	Very low	61.4	Low	83 Å²	83	79.1 Å²	79.1	86%	0.856	53%	0.527	S	S	*	.			trans	72.4	4.5	131.5	0	0	0	0	0	121	G19 A23	G19-G21 PolarHBondContact O-N 2.95Å; G21-A23 PolarHBondContact O-N 3.07Å
22	A	59.7	Low	64.4	Low	64 Å²	64	74.8 Å²	74.8	53%	0.529	50%	0.503	S	S	.	.			trans	-76	106.8	173.2	0	0	0	0	0	110.4	A20 Y24	A20-A22 PolarHBondContact O-N 3.13Å; A22-Y24 WeakPolarHBondContact O-CD2 2.98Å; A22-Y24 PolarHBondContact O-N 3.02Å
23	A	85.2	Confident	67.6	Low	81 Å²	81	74.9 Å²	74.9	67%	0.669	49%	0.49	S	S	*	.			trans	-72.8	106	172	0	0	0	0	0	108.9	G21 S63	G21-A23 PolarHBondContact O-N 3.07Å; A23-S63 WeakPolarHBondContact O-CB 3.25Å; A23-S63 PolarHBondContact O-OG 3.29Å
24	Y	92.3	Very high	70.8	Confident	46 Å²	46	72.4 Å²	72.4	18%	0.18	46%	0.46	C	S	.	.			trans	-73	140.8	172.1	-70.3	-91.4	0	0	0	110.1	A22 S42 P65 P106 L107	A22-Y24 WeakPolarHBondContact O-CD2 2.98Å; A22-Y24 PolarHBondContact O-N 3.02Å; Y24-S42 VanDerWaalsContact O-CA 3.27Å; Y24-S42 WeakPolarHBondContact O-CA 3.31Å; Y24-S42 WeakPolarHBondContact O-CB 3.32Å; Y24-P65 WeakPolarHBondContact CE1-O 3.47Å; Y24-P106 HydrophobicContact CD1-CB 3.69Å; Y24-P106 HydrophobicContact CD1-CG 4.45Å; Y24-P106 HydrophobicContact CD2-CB 3.81Å; Y24-P106 HydrophobicContact CD2-CG 4.33Å; Y24-P106 HydrophobicContact CE1-CB 3.9Å; Y24-P106 HydrophobicContact CE2-CB 4.02Å; Y24-P106 HydrophobicContact CG-CB 3.64Å; Y24-P106 HydrophobicContact CG-CG 4.05Å; Y24-L107 PolarHBondContact OH-O 2.91Å
25	K	95.9	Very high	74	Confident	65 Å²	65	74.5 Å²	74.5	28%	0.283	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	126.1	177.4	-172.2	179.8	-178.7	-136	0	111.4	E40 F41 D62 S63	K25-E40 WeakPolarHBondContact CE-OE1 3.4Å; K25-E40 WeakPolarHBondContact CE-OE2 3.44Å; K25-E40 HydrophobicContact CG-CG 4.16Å; K25-E40 IonicContact NZ-OE2 3.87Å; K25-F41 WeakPolarHBondContact CA-O 3.43Å; K25-D62 HydrophobicContact CB-CB 4.05Å; K25-D62 HydrophobicContact CD-CB 4.03Å; K25-D62 WeakPolarHBondContact CD-OD2 3.5Å; K25-D62 VanDerWaalsContact CE-OD2 3.31Å; K25-D62 WeakPolarHBondContact CE-OD2 3.43Å; K25-D62 HydrophobicContact CG-CB 4.11Å; K25-D62 IonicContact NZ-OD2 2.66Å; K25-D62 PolarHBondContact NZ-OD2 3.22Å; K25-D62 PolarHBondContact O-N 2.58Å; K25-S63 PolarHBondContact N-O 3.23Å; K25-S63 PolarHBondContact O-N 3.46Å; K25-S63 VanDerWaalsContact O-O 3.13Å
26	V	97.3	Very high	77	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.006	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.1	169.3	63.6	0	0	0	0	109.4	V28 E40 F41 L59 I60 V61 W66 L104	V26-V28 HydrophobicContact CG2-CG1 4.43Å; V26-E40 WeakPolarHBondContact O-CA 3.48Å; V26-F41 HydrophobicContact CG1-CB 3.86Å; V26-F41 HydrophobicContact CG1-CD2 4.37Å; V26-F41 PolarHBondContact N-O 3.48Å; V26-F41 PolarHBondContact O-N 3.01Å; V26-L59 HydrophobicContact CG2-CD1 4.34Å; V26-I60 WeakPolarHBondContact CA-O 3.26Å; V26-I60 WeakPolarHBondContact CG2-O 3.29Å; V26-V61 HydrophobicContact CG2-CG2 3.95Å; V26-W66 HydrophobicContact CB-CD2 4.09Å; V26-W66 HydrophobicContact CB-CG 4.3Å; V26-W66 HydrophobicContact CB-CZ2 4.16Å; V26-W66 HydrophobicContact CG1-CD2 3.69Å; V26-W66 HydrophobicContact CG1-CE3 3.86Å; V26-W66 HydrophobicContact CG1-CG 4.32Å; V26-W66 HydrophobicContact CG1-CH2 3.83Å; V26-W66 HydrophobicContact CG1-CZ2 3.65Å; V26-W66 HydrophobicContact CG1-CZ3 3.94Å; V26-L104 HydrophobicContact CG1-CD1 3.83Å
27	V	97.7	Very high	80	Confident	14 Å²	14	66.2 Å²	66.2	9%	0.085	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.5	174	-172.9	0	0	0	0	107.6	F29 K38 A39 E40 L59 I60	V27-F29 HydrophobicContact CB-CE2 4.07Å; V27-F29 HydrophobicContact CB-CZ 4.45Å; V27-F29 HydrophobicContact CG1-CD2 4.32Å; V27-F29 HydrophobicContact CG1-CE1 4.41Å; V27-F29 HydrophobicContact CG1-CE2 3.61Å; V27-F29 HydrophobicContact CG1-CZ 3.67Å; V27-K38 HydrophobicContact CG1-CB 4.27Å; V27-K38 HydrophobicContact CG1-CD 4.24Å; V27-A39 WeakPolarHBondContact CA-O 3.33Å; V27-E40 HydrophobicContact CG2-CG 4.31Å; V27-L59 CarbonylContact O-C 3.51Å; V27-L59 VanDerWaalsContact O-CA 3.26Å; V27-L59 WeakPolarHBondContact O-CA 3.27Å; V27-L59 WeakPolarHBondContact O-CB 2.99Å; V27-I60 PolarHBondContact N-O 3.19Å; V27-I60 PolarHBondContact O-N 2.84Å
28	V	97.8	Very high	82.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	148.4	174.7	-55.8	0	0	0	0	109.4	V26 K38 A39 F41 L53 V56 L59 L104	V26-V28 HydrophobicContact CG2-CG1 4.43Å; V28-K38 VanDerWaalsContact O-CA 3.22Å; V28-K38 WeakPolarHBondContact O-CA 3.07Å; V28-K38 WeakPolarHBondContact O-CB 3.27Å; V28-A39 HydrophobicContact CG2-CB 4.11Å; V28-A39 PolarHBondContact N-O 2.92Å; V28-A39 PolarHBondContact O-N 3.47Å; V28-F41 HydrophobicContact CG1-CD2 4.47Å; V28-F41 HydrophobicContact CG1-CE2 4.37Å; V28-F41 HydrophobicContact CG2-CD2 4.31Å; V28-F41 HydrophobicContact CG2-CE2 3.6Å; V28-L53 HydrophobicContact CG2-CD1 3.36Å; V28-V56 HydrophobicContact CB-CG1 4.14Å; V28-V56 HydrophobicContact CB-CG2 4.37Å; V28-V56 HydrophobicContact CG1-CG1 4.45Å; V28-L59 HydrophobicContact CB-CB 4.46Å; V28-L59 HydrophobicContact CG1-CB 4.06Å; V28-L104 HydrophobicContact CG1-CD2 4.23Å
29	F	97.3	Very high	86	Confident	19 Å²	19	62.2 Å²	62.2	8%	0.083	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.5	-177.5	-62.3	-98.6	0	0	0	109.8	V27 F34 C37 K38 G57 S58 I60	V27-F29 HydrophobicContact CB-CE2 4.07Å; V27-F29 HydrophobicContact CB-CZ 4.45Å; V27-F29 HydrophobicContact CG1-CD2 4.32Å; V27-F29 HydrophobicContact CG1-CE1 4.41Å; V27-F29 HydrophobicContact CG1-CE2 3.61Å; V27-F29 HydrophobicContact CG1-CZ 3.67Å; F29-F34 HydrophobicContact CD1-CB 4.15Å; F29-F34 WeakPolarHBondContact CD1-O 3.33Å; F29-F34 HydrophobicContact CD2-CB 4.15Å; F29-F34 AromaticContact CD2-CD1 3.97Å; F29-F34 HydrophobicContact CD2-CD1 3.97Å; F29-F34 HydrophobicContact CE1-CB 4Å; F29-F34 WeakPolarHBondContact CE1-O 3.44Å; F29-F34 HydrophobicContact CE2-CB 4.02Å; F29-F34 AromaticContact CE2-CD1 3.98Å; F29-F34 HydrophobicContact CE2-CD1 3.98Å; F29-F34 HydrophobicContact CE2-CG 4.43Å; F29-F34 HydrophobicContact CG-CB 4.22Å; F29-F34 HydrophobicContact CZ-CB 3.94Å; F29-C37 WeakPolarHBondContact CA-O 3.49Å; F29-K38 HydrophobicContact CD1-CB 3.78Å; F29-K38 HydrophobicContact CE1-CB 3.94Å; F29-K38 HydrophobicContact CE1-CD 3.92Å; F29-K38 HydrophobicContact CG-CB 4.37Å; F29-K38 HydrophobicContact CZ-CD 4.45Å; F29-G57 PolarHBondContact O-N 3.03Å; F29-S58 WeakPolarHBondContact CB-OG 3.08Å; F29-S58 PolarHBondContact N-O 3.16Å; F29-S58 PolarHBondContact O-N 3.38Å; F29-I60 HydrophobicContact CE2-CB 4.49Å; F29-I60 HydrophobicContact CE2-CD1 3.85Å; F29-I60 HydrophobicContact CE2-CG1 3.9Å; F29-I60 HydrophobicContact CZ-CD1 4.11Å
30	E	95.9	Very high	89.1	Confident	30 Å²	30	64.5 Å²	64.5	14%	0.14	39%	0.385	C	S	.	.	S	Bend	trans	-64.5	-40.7	-178.7	-170.7	175.5	-166.3	0	0	112.6	C37 L53 K55 G57	E30-C37 HydrophobicContact CB-CB 4.3Å; E30-C37 WeakPolarHBondContact CB-O 3.5Å; E30-C37 PolarHBondContact N-O 2.81Å; E30-C37 VanDerWaalsContact OE2-CB 3.32Å; E30-C37 WeakPolarHBondContact OE2-CB 3.28Å; E30-C37 PolarHBondContact OE2-N 2.99Å; E30-C37 PolarHBondContact OE2-SG 3.05Å; E30-L53 HydrophobicContact CB-CD2 3.92Å; E30-K55 WeakPolarHBondContact CA-O 3.32Å; E30-G57 WeakPolarHBondContact O-CA 3.37Å; E30-G57 PolarHBondContact O-N 3.09Å; E30-G57 VanDerWaalsContact O-N 3.15Å
31	F	96.1	Very high	91.9	Very high	115 Å²	115	60 Å²	60	50%	0.504	35%	0.345	S	S	.	.	S	Bend	trans	-109.4	166.7	-178.4	-54.8	-38.7	0	0	0	112.2	Q35 G57 S58	F31-Q35 HydrophobicContact CB-CB 4.04Å; F31-Q35 HydrophobicContact CD2-CB 4.37Å; F31-Q35 PolarHBondContact N-O 2.83Å; F31-Q35 VanDerWaalsContact N-O 3.08Å; F31-G57 CarbonylContact O-C 3.57Å; F31-S58 WeakPolarHBondContact O-CB 3.39Å; F31-S58 PolarHBondContact O-N 3.38Å; F31-S58 PolarHBondContact O-OG 3.23Å
32	E	97.1	Very high	94.2	Very high	78 Å²	78	60 Å²	60	36%	0.364	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-62.5	158.7	171.8	-63.5	-173.1	169.5	0	0	111.2	F34 P87 R88	E32-F34 VanDerWaalsContact C-N 3.27Å; E32-F34 PolarHBondContact O-N 2.89Å; E32-P87 CarbonylContact C-O 3.59Å; E32-P87 WeakPolarHBondContact CA-O 3.42Å; E32-P87 WeakPolarHBondContact CB-O 3.37Å; E32-R88 HydrophobicContact CB-CG 4.08Å; E32-R88 VanDerWaalsContact CD-CD 3.46Å; E32-R88 VanDerWaalsContact CD-CG 3.49Å; E32-R88 HydrophobicContact CG-CB 4.41Å; E32-R88 HydrophobicContact CG-CG 3.9Å; E32-R88 WeakPolarHBondContact OE2-CD 3.24Å; E32-R88 WeakPolarHBondContact OE2-CG 3.35Å
33	N	97.6	Very high	95.9	Very high	93 Å²	93	60.4 Å²	60.4	50%	0.497	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	56.5	37.3	177.3	-49.4	-64.1	0	0	0	114.1	Q35 P87	N33-Q35 WeakPolarHBondContact O-CG 3.5Å; N33-Q35 PolarHBondContact O-N 3.16Å; N33-Q35 PolarHBondContact O-NE2 2.85Å; N33-Q35 VanDerWaalsContact O-NE2 3.16Å; N33-P87 PolarHBondContact N-O 2.88Å
34	F	97.6	Very high	96.4	Very high	49 Å²	49	61.7 Å²	61.7	22%	0.215	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	63.3	38.8	171	-37.1	-62.3	0	0	0	113.9	F29 E32 S58 L59 I60 E85 P87	F29-F34 HydrophobicContact CD1-CB 4.15Å; F29-F34 WeakPolarHBondContact CD1-O 3.33Å; F29-F34 HydrophobicContact CD2-CB 4.15Å; F29-F34 AromaticContact CD2-CD1 3.97Å; F29-F34 HydrophobicContact CD2-CD1 3.97Å; F29-F34 HydrophobicContact CE1-CB 4Å; F29-F34 WeakPolarHBondContact CE1-O 3.44Å; F29-F34 HydrophobicContact CE2-CB 4.02Å; F29-F34 AromaticContact CE2-CD1 3.98Å; F29-F34 HydrophobicContact CE2-CD1 3.98Å; F29-F34 HydrophobicContact CE2-CG 4.43Å; F29-F34 HydrophobicContact CG-CB 4.22Å; F29-F34 HydrophobicContact CZ-CB 3.94Å; E32-F34 VanDerWaalsContact C-N 3.27Å; E32-F34 PolarHBondContact O-N 2.89Å; F34-S58 VanDerWaalsContact CA-OG 3.25Å; F34-S58 WeakPolarHBondContact CA-OG 3.32Å; F34-S58 PolarHBondContact N-OG 3.01Å; F34-L59 WeakPolarHBondContact CE1-O 3.25Å; F34-I60 HydrophobicContact CB-CD1 4.44Å; F34-I60 HydrophobicContact CD1-CD1 3.74Å; F34-I60 HydrophobicContact CD1-CG1 3.51Å; F34-I60 HydrophobicContact CD2-CD1 4.44Å; F34-I60 HydrophobicContact CE1-CD1 4.13Å; F34-I60 HydrophobicContact CE1-CG1 3.54Å; F34-I60 HydrophobicContact CG-CD1 3.93Å; F34-I60 HydrophobicContact CG-CG1 4.22Å; F34-I60 HydrophobicContact CZ-CG1 4.27Å; F34-E85 HydrophobicContact CE1-CB 4.45Å; F34-E85 HydrophobicContact CE2-CB 4.41Å; F34-E85 HydrophobicContact CZ-CB 3.74Å; F34-E85 HydrophobicContact CZ-CG 4.2Å; F34-P87 HydrophobicContact CE2-CB 4.24Å; F34-P87 HydrophobicContact CZ-CB 3.86Å
35	Q	96.8	Very high	96.6	Very high	119 Å²	119	60.1 Å²	60.1	56%	0.556	32%	0.319	S	S	*	.			trans	-112	166.2	-177.9	-57.8	-58.7	-46.5	0	0	112.6	F31 N33	F31-Q35 HydrophobicContact CB-CB 4.04Å; F31-Q35 HydrophobicContact CD2-CB 4.37Å; F31-Q35 PolarHBondContact N-O 2.83Å; F31-Q35 VanDerWaalsContact N-O 3.08Å; N33-Q35 WeakPolarHBondContact O-CG 3.5Å; N33-Q35 PolarHBondContact O-N 3.16Å; N33-Q35 PolarHBondContact O-NE2 2.85Å; N33-Q35 VanDerWaalsContact O-NE2 3.16Å
36	G	95.4	Very high	96.7	Very high	46 Å²	46	62.9 Å²	62.9	47%	0.474	33%	0.331	S	S	.	.	S	Bend	trans	82.4	-158.8	176	0	0	0	0	0	113.7
37	C	95.5	Very high	96.6	Very high	71 Å²	71	64.5 Å²	64.5	48%	0.48	34%	0.339	S	S	.	.	S	Bend	trans	-63.4	148.1	174.3	-61.1	0	0	0	0	110.2	F29 E30 L53	F29-C37 WeakPolarHBondContact CA-O 3.49Å; E30-C37 HydrophobicContact CB-CB 4.3Å; E30-C37 WeakPolarHBondContact CB-O 3.5Å; E30-C37 PolarHBondContact N-O 2.81Å; E30-C37 VanDerWaalsContact OE2-CB 3.32Å; E30-C37 WeakPolarHBondContact OE2-CB 3.28Å; E30-C37 PolarHBondContact OE2-N 2.99Å; E30-C37 PolarHBondContact OE2-SG 3.05Å; C37-L53 HydrophobicContact CB-CD2 3.98Å; C37-L53 WeakPolarHBondContact O-CD2 3.45Å
38	K	95.9	Very high	96.5	Very high	149 Å²	149	63.9 Å²	63.9	65%	0.648	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.6	177.4	71.2	179.1	-178.3	179.5	0	111.8	V27 V28 F29	V27-K38 HydrophobicContact CG1-CB 4.27Å; V27-K38 HydrophobicContact CG1-CD 4.24Å; V28-K38 VanDerWaalsContact O-CA 3.22Å; V28-K38 WeakPolarHBondContact O-CA 3.07Å; V28-K38 WeakPolarHBondContact O-CB 3.27Å; F29-K38 HydrophobicContact CD1-CB 3.78Å; F29-K38 HydrophobicContact CE1-CB 3.94Å; F29-K38 HydrophobicContact CE1-CD 3.92Å; F29-K38 HydrophobicContact CG-CB 4.37Å; F29-K38 HydrophobicContact CZ-CD 4.45Å
39	A	96.9	Very high	96.2	Very high	11 Å²	11	66.2 Å²	66.2	9%	0.091	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.1	170.4	0	0	0	0	0	110.2	V27 V28 F41 K51 L53	V27-A39 WeakPolarHBondContact CA-O 3.33Å; V28-A39 HydrophobicContact CG2-CB 4.11Å; V28-A39 PolarHBondContact N-O 2.92Å; V28-A39 PolarHBondContact O-N 3.47Å; A39-F41 HydrophobicContact CB-CE2 3.9Å; A39-F41 HydrophobicContact CB-CZ 4Å; A39-K51 HydrophobicContact CB-CB 3.66Å; A39-K51 HydrophobicContact CB-CG 4.03Å; A39-L53 HydrophobicContact CB-CD1 3.62Å; A39-L53 HydrophobicContact CB-CG 4.45Å
40	E	96.9	Very high	95.8	Very high	115 Å²	115	72.7 Å²	72.7	54%	0.537	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138	176.1	-177	176.2	134.8	0	0	110.1	K25 V26 V27	K25-E40 WeakPolarHBondContact CE-OE1 3.4Å; K25-E40 WeakPolarHBondContact CE-OE2 3.44Å; K25-E40 HydrophobicContact CG-CG 4.16Å; K25-E40 IonicContact NZ-OE2 3.87Å; V26-E40 WeakPolarHBondContact O-CA 3.48Å; V27-E40 HydrophobicContact CG2-CG 4.31Å
41	F	96.6	Very high	95.3	Very high	11 Å²	11	77.6 Å²	77.6	5%	0.048	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.4	177.3	-57.6	-82.6	0	0	0	110.9	K25 V26 V28 A39 C45 V48 K51 W66 L104	K25-F41 WeakPolarHBondContact CA-O 3.43Å; V26-F41 HydrophobicContact CG1-CB 3.86Å; V26-F41 HydrophobicContact CG1-CD2 4.37Å; V26-F41 PolarHBondContact N-O 3.48Å; V26-F41 PolarHBondContact O-N 3.01Å; V28-F41 HydrophobicContact CG1-CD2 4.47Å; V28-F41 HydrophobicContact CG1-CE2 4.37Å; V28-F41 HydrophobicContact CG2-CD2 4.31Å; V28-F41 HydrophobicContact CG2-CE2 3.6Å; A39-F41 HydrophobicContact CB-CE2 3.9Å; A39-F41 HydrophobicContact CB-CZ 4Å; F41-C45 HydrophobicContact CD1-CB 3.68Å; F41-C45 HydrophobicContact CE1-CB 3.68Å; F41-C45 WeakPolarHBondContact CE1-SG 3.37Å; F41-C45 HydrophobicContact CG-CB 4.47Å; F41-C45 HydrophobicContact CZ-CB 4.45Å; F41-V48 HydrophobicContact CE2-CG1 4.44Å; F41-V48 HydrophobicContact CZ-CB 4.34Å; F41-V48 HydrophobicContact CZ-CG1 4.32Å; F41-K51 HydrophobicContact CE1-CG 3.79Å; F41-K51 HydrophobicContact CZ-CB 4.45Å; F41-K51 HydrophobicContact CZ-CG 3.72Å; F41-W66 HydrophobicContact CB-CH2 3.99Å; F41-W66 HydrophobicContact CB-CZ3 4.33Å; F41-W66 WeakPolarHBondContact O-CH2 3.45Å; F41-W66 VanDerWaalsContact O-CZ2 3.27Å; F41-W66 WeakPolarHBondContact O-CZ2 3.26Å; F41-L104 HydrophobicContact CB-CD1 4.03Å; F41-L104 HydrophobicContact CD2-CD1 4.34Å; F41-L104 HydrophobicContact CD2-CD2 4.23Å; F41-L104 HydrophobicContact CE2-CD2 4.4Å; F41-L104 HydrophobicContact CG-CD1 4.19Å
42	S	96	Very high	94.6	Very high	83 Å²	83	74.9 Å²	74.9	58%	0.58	41%	0.405	S	S	*	.	S	Bend	trans	-122.1	-2.3	173.3	57.8	0	0	0	0	113.3	Y24	Y24-S42 VanDerWaalsContact O-CA 3.27Å; Y24-S42 WeakPolarHBondContact O-CA 3.31Å; Y24-S42 WeakPolarHBondContact O-CB 3.32Å
43	S	95.4	Very high	94.1	Very high	72 Å²	72	71.3 Å²	71.3	50%	0.503	39%	0.389	S	S	.	.	S	Bend	trans	-137.9	176.8	176.9	65.6	0	0	0	0	110.3	W66	S43-W66 WeakPolarHBondContact O-CZ3 3.44Å
44	E	96.8	Very high	93.6	Very high	109 Å²	109	75 Å²	75	51%	0.509	40%	0.403	S	S	.	.			trans	-55.9	145.9	171.9	64.7	174.3	-163	0	0	112.7	L104 R105	E44-L104 WeakPolarHBondContact CA-O 3.48Å; E44-R105 HydrophobicContact CB-CB 3.79Å
45	C	96.9	Very high	93.4	Very high	13 Å²	13	77.2 Å²	77.2	9%	0.088	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-138.4	118.1	175.9	177.9	0	0	0	0	108.5	F41 D47 S103 L104	F41-C45 HydrophobicContact CD1-CB 3.68Å; F41-C45 HydrophobicContact CE1-CB 3.68Å; F41-C45 WeakPolarHBondContact CE1-SG 3.37Å; F41-C45 HydrophobicContact CG-CB 4.47Å; F41-C45 HydrophobicContact CZ-CB 4.45Å; C45-D47 PolarHBondContact SG-O 3.22Å; C45-S103 CarbonylContact O-C 3.51Å; C45-S103 VanDerWaalsContact O-CA 3.32Å; C45-S103 WeakPolarHBondContact O-CA 3.45Å; C45-S103 VanDerWaalsContact O-CB 3.23Å; C45-S103 WeakPolarHBondContact O-CB 3.44Å; C45-L104 HydrophobicContact CB-CD1 4.44Å; C45-L104 HydrophobicContact CB-CG 4.37Å; C45-L104 PolarHBondContact N-O 2.89Å; C45-L104 PolarHBondContact O-N 2.93Å
46	K	97.1	Very high	93.4	Very high	122 Å²	122	71.7 Å²	71.7	53%	0.53	39%	0.387	S	S	.	.	S	Bend	trans	-85.5	-14.7	-178.1	-68.1	-178.5	-178.7	177.1	0	113.2	H72 G73 L74 S103	K46-H72 CarbonylContact O-C 3.52Å; K46-H72 WeakPolarHBondContact O-CA 3.34Å; K46-G73 PolarHBondContact O-N 2.82Å; K46-L74 HydrophobicContact CG-CD1 4.44Å; K46-L74 HydrophobicContact CG-CG 4.33Å; K46-S103 WeakPolarHBondContact O-CB 3.4Å
47	D	96.4	Very high	93.4	Very high	35 Å²	35	69.8 Å²	69.8	19%	0.187	37%	0.367	C	S	.	.			trans	-152.2	105	176	-172	-8.1	0	0	0	109.8	C45 T49 E50 H72 L102	C45-D47 PolarHBondContact SG-O 3.22Å; D47-T49 VanDerWaalsContact CG-OG1 3.28Å; D47-T49 PolarHBondContact O-N 3.2Å; D47-T49 WeakPolarHBondContact OD1-CB 3.22Å; D47-T49 PolarHBondContact OD1-N 3.35Å; D47-T49 PolarHBondContact OD1-OG1 3.49Å; D47-T49 PolarHBondContact OD2-OG1 3.46Å; D47-E50 HydrophobicContact CB-CG 3.9Å; D47-E50 PolarHBondContact O-N 3.36Å; D47-H72 IonicContact OD1-CE1 3.87Å; D47-H72 PolarHBondContact OD1-CE1 3.31Å; D47-H72 IonicContact OD1-ND1 2.82Å; D47-H72 PolarHBondContact OD1-ND1 3.43Å; D47-H72 VanDerWaalsContact OD1-ND1 3.11Å; D47-H72 IonicContact OD2-CE1 3.77Å; D47-H72 IonicContact OD2-ND1 3.26Å; D47-H72 PolarHBondContact OD2-ND1 3.01Å; D47-L102 WeakPolarHBondContact CA-O 3.26Å
48	V	94.9	Very high	93.5	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.012	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-67.7	-20.6	179.5	-59.2	0	0	0	0	112.5	F41 E50 K51 V56 L101 L102 L104	F41-V48 HydrophobicContact CE2-CG1 4.44Å; F41-V48 HydrophobicContact CZ-CB 4.34Å; F41-V48 HydrophobicContact CZ-CG1 4.32Å; V48-E50 VanDerWaalsContact C-N 3.28Å; V48-E50 PolarHBondContact O-N 2.94Å; V48-K51 PolarHBondContact O-N 3.23Å; V48-V56 HydrophobicContact CG2-CG2 3.9Å; V48-L101 HydrophobicContact CG1-CD2 4.3Å; V48-L101 WeakPolarHBondContact CG2-O 3.43Å; V48-L102 PolarHBondContact N-O 2.96Å; V48-L104 HydrophobicContact CG1-CD2 3.63Å; V48-L104 HydrophobicContact CG1-CG 4.29Å
49	T	90.4	Very high	93.6	Very high	49 Å²	49	59.3 Å²	59.3	30%	0.301	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-74.3	-20.9	-176.9	72.2	0	0	0	0	112.5	D47 K51 G52 L53 L102	D47-T49 VanDerWaalsContact CG-OG1 3.28Å; D47-T49 PolarHBondContact O-N 3.2Å; D47-T49 WeakPolarHBondContact OD1-CB 3.22Å; D47-T49 PolarHBondContact OD1-N 3.35Å; D47-T49 PolarHBondContact OD1-OG1 3.49Å; D47-T49 PolarHBondContact OD2-OG1 3.46Å; T49-K51 PolarHBondContact O-N 3.31Å; T49-G52 PolarHBondContact O-N 3.48Å; T49-L53 VanDerWaalsContact CA-O 3.3Å; T49-L53 WeakPolarHBondContact CA-O 3.45Å; T49-L53 WeakPolarHBondContact CB-O 3.5Å; T49-L102 HydrophobicContact CG2-CD2 4.21Å
50	E	89.6	Confident	93.7	Very high	155 Å²	155	60.4 Å²	60.4	72%	0.724	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-60	-15.9	173.7	-68.7	-178.5	169.6	0	0	113.2	D47 V48 G52	D47-E50 HydrophobicContact CB-CG 3.9Å; D47-E50 PolarHBondContact O-N 3.36Å; V48-E50 VanDerWaalsContact C-N 3.28Å; V48-E50 PolarHBondContact O-N 2.94Å; E50-G52 VanDerWaalsContact C-N 3.29Å
51	K	85.4	Confident	93.7	Very high	133 Å²	133	55 Å²	55	58%	0.578	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-89.5	13.7	174.7	-62.4	-60.1	-173	-177.2	0	113.9	A39 F41 V48 T49 L53	A39-K51 HydrophobicContact CB-CB 3.66Å; A39-K51 HydrophobicContact CB-CG 4.03Å; F41-K51 HydrophobicContact CE1-CG 3.79Å; F41-K51 HydrophobicContact CZ-CB 4.45Å; F41-K51 HydrophobicContact CZ-CG 3.72Å; V48-K51 PolarHBondContact O-N 3.23Å; T49-K51 PolarHBondContact O-N 3.31Å; K51-L53 VanDerWaalsContact C-N 3.33Å
52	G	82.3	Confident	93.5	Very high	57 Å²	57	57 Å²	57	59%	0.588	30%	0.304	S	S	*	.	S	Bend	trans	76.7	21.1	179.9	0	0	0	0	0	113.4	T49 E50	T49-G52 PolarHBondContact O-N 3.48Å; E50-G52 VanDerWaalsContact C-N 3.29Å
53	L	86	Confident	93.4	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.016	29%	0.293	C	S	.	.			trans	-96.3	119.3	173.9	-67.4	165.7	0	0	0	108.7	V28 E30 C37 A39 T49 K51 K55	V28-L53 HydrophobicContact CG2-CD1 3.36Å; E30-L53 HydrophobicContact CB-CD2 3.92Å; C37-L53 HydrophobicContact CB-CD2 3.98Å; C37-L53 WeakPolarHBondContact O-CD2 3.45Å; A39-L53 HydrophobicContact CB-CD1 3.62Å; A39-L53 HydrophobicContact CB-CG 4.45Å; T49-L53 VanDerWaalsContact CA-O 3.3Å; T49-L53 WeakPolarHBondContact CA-O 3.45Å; T49-L53 WeakPolarHBondContact CB-O 3.5Å; K51-L53 VanDerWaalsContact C-N 3.33Å; L53-K55 VanDerWaalsContact C-N 3.3Å
54	E	87.7	Confident	93.1	Very high	171 Å²	171	52.9 Å²	52.9	80%	0.799	28%	0.277	S	S	*	.	S	Bend	trans	-70.4	-32.5	174.7	-63.7	-170.5	169.4	0	0	111.8
55	K	92.8	Very high	93	Very high	95 Å²	95	48 Å²	48	41%	0.413	26%	0.255	S	S	.	.			trans	-154.1	159.3	-179.2	179.6	176.7	172.1	-176.3	0	110	E30 L53 F99	E30-K55 WeakPolarHBondContact CA-O 3.32Å; L53-K55 VanDerWaalsContact C-N 3.3Å; K55-F99 HydrophobicContact CD-CE2 4.41Å
56	V	96.6	Very high	92.9	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.018	25%	0.251	C	S	.	.			trans	-98.8	118.2	166	-179.5	0	0	0	0	109.5	V28 V48 W92 L101	V28-V56 HydrophobicContact CB-CG1 4.14Å; V28-V56 HydrophobicContact CB-CG2 4.37Å; V28-V56 HydrophobicContact CG1-CG1 4.45Å; V48-V56 HydrophobicContact CG2-CG2 3.9Å; V56-W92 HydrophobicContact CG1-CH2 4.02Å; V56-L101 HydrophobicContact CB-CB 4.37Å; V56-L101 HydrophobicContact CG2-CD2 4.21Å; V56-L101 WeakPolarHBondContact CG2-O 3.45Å
57	G	96	Very high	92.9	Very high	6 Å²	6	41.6 Å²	41.6	6%	0.062	23%	0.226	C	C	.	.			trans	-101.7	-33.8	178.2	0	0	0	0	0	113.5	F29 E30 F31 R88	F29-G57 PolarHBondContact O-N 3.03Å; E30-G57 WeakPolarHBondContact O-CA 3.37Å; E30-G57 PolarHBondContact O-N 3.09Å; E30-G57 VanDerWaalsContact O-N 3.15Å; F31-G57 CarbonylContact O-C 3.57Å; G57-R88 WeakPolarHBondContact O-CA 3.35Å
58	S	97.9	Very high	92.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162.5	175.4	58.7	0	0	0	0	111.4	F29 F31 F34 Y86 P87	F29-S58 WeakPolarHBondContact CB-OG 3.08Å; F29-S58 PolarHBondContact N-O 3.16Å; F29-S58 PolarHBondContact O-N 3.38Å; F31-S58 WeakPolarHBondContact O-CB 3.39Å; F31-S58 PolarHBondContact O-N 3.38Å; F31-S58 PolarHBondContact O-OG 3.23Å; F34-S58 VanDerWaalsContact CA-OG 3.25Å; F34-S58 WeakPolarHBondContact CA-OG 3.32Å; F34-S58 PolarHBondContact N-OG 3.01Å; S58-Y86 VanDerWaalsContact CA-O 3.29Å; S58-Y86 WeakPolarHBondContact CA-O 3.48Å; S58-Y86 VanDerWaalsContact CB-O 3.26Å; S58-Y86 WeakPolarHBondContact CB-O 3.48Å; S58-P87 WeakPolarHBondContact CB-O 3.49Å
59	L	97.9	Very high	93	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	154.7	176.1	65.8	88.5	0	0	0	112.6	V26 V27 V28 F34 V61 L81 Y86 W92 L101	V26-L59 HydrophobicContact CG2-CD1 4.34Å; V27-L59 CarbonylContact O-C 3.51Å; V27-L59 VanDerWaalsContact O-CA 3.26Å; V27-L59 WeakPolarHBondContact O-CA 3.27Å; V27-L59 WeakPolarHBondContact O-CB 2.99Å; V28-L59 HydrophobicContact CB-CB 4.46Å; V28-L59 HydrophobicContact CG1-CB 4.06Å; F34-L59 WeakPolarHBondContact CE1-O 3.25Å; L59-V61 HydrophobicContact CD1-CG2 3.72Å; L59-L81 HydrophobicContact CD1-CD1 4.47Å; L59-L81 HydrophobicContact CD1-CD2 4.44Å; L59-L81 HydrophobicContact CD2-CD1 4.06Å; L59-L81 HydrophobicContact CD2-CD2 4.28Å; L59-Y86 HydrophobicContact CD1-CD2 3.32Å; L59-Y86 HydrophobicContact CD1-CE2 4.01Å; L59-Y86 HydrophobicContact CD1-CG 3.8Å; L59-Y86 HydrophobicContact CG-CD2 4.25Å; L59-Y86 HydrophobicContact CG-CG 4.28Å; L59-Y86 PolarHBondContact N-O 2.85Å; L59-Y86 WeakPolarHBondContact O-CA 3.27Å; L59-Y86 WeakPolarHBondContact O-CB 3.48Å; L59-Y86 PolarHBondContact O-N 3.28Å; L59-W92 HydrophobicContact CD2-CD2 4.26Å; L59-W92 HydrophobicContact CD2-CE3 3.82Å; L59-W92 HydrophobicContact CD2-CZ3 4.09Å; L59-W92 HydrophobicContact CG-CE3 4.12Å; L59-W92 HydrophobicContact CG-CZ3 4.29Å; L59-L101 HydrophobicContact CD2-CD1 3.55Å
60	I	97.8	Very high	93.2	Very high	33 Å²	33	38.9 Å²	38.9	17%	0.169	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.2	174.2	-57.6	176.9	0	0	0	107.7	V26 V27 F29 F34 G84 E85	V26-I60 WeakPolarHBondContact CA-O 3.26Å; V26-I60 WeakPolarHBondContact CG2-O 3.29Å; V27-I60 PolarHBondContact N-O 3.19Å; V27-I60 PolarHBondContact O-N 2.84Å; F29-I60 HydrophobicContact CE2-CB 4.49Å; F29-I60 HydrophobicContact CE2-CD1 3.85Å; F29-I60 HydrophobicContact CE2-CG1 3.9Å; F29-I60 HydrophobicContact CZ-CD1 4.11Å; F34-I60 HydrophobicContact CB-CD1 4.44Å; F34-I60 HydrophobicContact CD1-CD1 3.74Å; F34-I60 HydrophobicContact CD1-CG1 3.51Å; F34-I60 HydrophobicContact CD2-CD1 4.44Å; F34-I60 HydrophobicContact CE1-CD1 4.13Å; F34-I60 HydrophobicContact CE1-CG1 3.54Å; F34-I60 HydrophobicContact CG-CD1 3.93Å; F34-I60 HydrophobicContact CG-CG1 4.22Å; F34-I60 HydrophobicContact CZ-CG1 4.27Å; I60-G84 WeakPolarHBondContact CA-O 3.38Å; I60-E85 HydrophobicContact CG1-CG 4.27Å; I60-E85 HydrophobicContact CG2-CG 4.37Å
61	V	96.6	Very high	93.5	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	104.2	171.9	-178.6	0	0	0	0	108	V26 L59 L81 E82 K83 G84 Y86	V26-V61 HydrophobicContact CG2-CG2 3.95Å; L59-V61 HydrophobicContact CD1-CG2 3.72Å; V61-L81 HydrophobicContact CG2-CB 3.89Å; V61-E82 VanDerWaalsContact CB-O 3.28Å; V61-E82 WeakPolarHBondContact CB-O 3.46Å; V61-E82 WeakPolarHBondContact CG2-O 3.39Å; V61-K83 WeakPolarHBondContact O-CA 3.3Å; V61-K83 WeakPolarHBondContact O-CG 3.4Å; V61-G84 PolarHBondContact N-O 3.11Å; V61-G84 PolarHBondContact O-N 3.34Å; V61-G84 VanDerWaalsContact O-N 3.09Å; V61-Y86 HydrophobicContact CG2-CE2 4.07Å
62	D	93.8	Very high	94	Very high	53 Å²	53	35.9 Å²	35.9	28%	0.283	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-42.3	176.6	-76.1	-23.4	0	0	0	111.1	K25 K83	K25-D62 HydrophobicContact CB-CB 4.05Å; K25-D62 HydrophobicContact CD-CB 4.03Å; K25-D62 WeakPolarHBondContact CD-OD2 3.5Å; K25-D62 VanDerWaalsContact CE-OD2 3.31Å; K25-D62 WeakPolarHBondContact CE-OD2 3.43Å; K25-D62 HydrophobicContact CG-CB 4.11Å; K25-D62 IonicContact NZ-OD2 2.66Å; K25-D62 PolarHBondContact NZ-OD2 3.22Å; K25-D62 PolarHBondContact O-N 2.58Å; D62-K83 VanDerWaalsContact O-CE 3.32Å; D62-K83 WeakPolarHBondContact O-CE 3.36Å
63	S	92.2	Very high	94.7	Very high	52 Å²	52	35 Å²	35	36%	0.364	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	116.3	-178.5	-60.6	0	0	0	0	109.6	A23 K25 W66	A23-S63 WeakPolarHBondContact O-CB 3.25Å; A23-S63 PolarHBondContact O-OG 3.29Å; K25-S63 PolarHBondContact N-O 3.23Å; K25-S63 PolarHBondContact O-N 3.46Å; K25-S63 VanDerWaalsContact O-O 3.13Å; S63-W66 PolarHBondContact O-NE1 2.85Å
64	G	90.9	Very high	95.2	Very high	16 Å²	16	36.2 Å²	36.2	17%	0.165	19%	0.188	C	C	.	.			trans	-142	-156.6	-171.5	0	0	0	0	0	112.2
65	P	93.6	Very high	95.6	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.039	17%	0.167	C	C	.	.			cis	-74.8	157.3	1.1	29.3	-32.4	0	0	0	113.1	Y24 I80 L81 L107 V109 V197	Y24-P65 WeakPolarHBondContact CE1-O 3.47Å; P65-I80 HydrophobicContact CB-CD1 4.02Å; P65-L81 CarbonylContact C-O 3.37Å; P65-L81 WeakPolarHBondContact CA-O 3.48Å; P65-L107 HydrophobicContact CG-CB 4.33Å; P65-L107 HydrophobicContact CG-CD2 4.43Å; P65-L107 PolarHBondContact O-N 3.23Å; P65-V109 HydrophobicContact CG-CG2 3.49Å; P65-V109 VanDerWaalsContact CG-CG2 3.49Å; P65-V197 HydrophobicContact CB-CG1 4.46Å; P65-V197 HydrophobicContact CG-CG1 3.77Å
66	W	95.6	Very high	95.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	154.1	170.7	-69.3	74.1	0	0	0	110.2	V26 F41 S43 S63 L81 L104 R105 P106	V26-W66 HydrophobicContact CB-CD2 4.09Å; V26-W66 HydrophobicContact CB-CG 4.3Å; V26-W66 HydrophobicContact CB-CZ2 4.16Å; V26-W66 HydrophobicContact CG1-CD2 3.69Å; V26-W66 HydrophobicContact CG1-CE3 3.86Å; V26-W66 HydrophobicContact CG1-CG 4.32Å; V26-W66 HydrophobicContact CG1-CH2 3.83Å; V26-W66 HydrophobicContact CG1-CZ2 3.65Å; V26-W66 HydrophobicContact CG1-CZ3 3.94Å; F41-W66 HydrophobicContact CB-CH2 3.99Å; F41-W66 HydrophobicContact CB-CZ3 4.33Å; F41-W66 WeakPolarHBondContact O-CH2 3.45Å; F41-W66 VanDerWaalsContact O-CZ2 3.27Å; F41-W66 WeakPolarHBondContact O-CZ2 3.26Å; S43-W66 WeakPolarHBondContact O-CZ3 3.44Å; S63-W66 PolarHBondContact O-NE1 2.85Å; W66-L81 HydrophobicContact CB-CB 4.06Å; W66-L81 HydrophobicContact CB-CD1 4.33Å; W66-L81 PolarHBondContact N-O 3.26Å; W66-L81 PolarHBondContact O-N 3.02Å; W66-L104 HydrophobicContact CD2-CD1 4.38Å; W66-L104 HydrophobicContact CE3-CD1 3.31Å; W66-L104 HydrophobicContact CH2-CD1 4.2Å; W66-L104 HydrophobicContact CZ3-CD1 3.21Å; W66-R105 WeakPolarHBondContact CA-O 3.33Å; W66-P106 HydrophobicContact CE3-CG 4.14Å; W66-P106 HydrophobicContact CH2-CG 3.79Å; W66-P106 HydrophobicContact CZ2-CG 4.26Å; W66-P106 VanDerWaalsContact CZ3-CD 3.4Å; W66-P106 HydrophobicContact CZ3-CG 3.7Å
67	M	96	Very high	95.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.8	166.2	-167.6	176.3	-50.7	0	0	108.6	Y69 Q78 F79 L104 R105 L107 I172	M67-Y69 HydrophobicContact CB-CE2 4.11Å; M67-Y69 HydrophobicContact CG-CD2 4.49Å; M67-Y69 HydrophobicContact CG-CE1 4.41Å; M67-Y69 HydrophobicContact CG-CE2 3.79Å; M67-Y69 HydrophobicContact SD-CE1 3.92Å; M67-Y69 HydrophobicContact SD-CE2 4.03Å; M67-Y69 PolarHBondContact SD-OH 2.98Å; M67-Q78 HydrophobicContact SD-CB 4.47Å; M67-Q78 HydrophobicContact SD-CG 4.37Å; M67-F79 WeakPolarHBondContact CA-O 3.39Å; M67-L104 CarbonylContact O-C 3.44Å; M67-L104 WeakPolarHBondContact O-CA 3.43Å; M67-R105 HydrophobicContact CB-CG 4.24Å; M67-R105 VanDerWaalsContact CE-NH2 3.28Å; M67-R105 PolarHBondContact N-O 2.92Å; M67-R105 PolarHBondContact O-N 3.23Å; M67-L107 HydrophobicContact CE-CD1 3.78Å; M67-L107 HydrophobicContact CE-CD2 4.26Å; M67-I172 HydrophobicContact CE-CB 3.5Å; M67-I172 VanDerWaalsContact CE-CB 3.5Å; M67-I172 HydrophobicContact CE-CD1 4.02Å; M67-I172 HydrophobicContact CE-CG1 3.66Å; M67-I172 HydrophobicContact CE-CG2 3.41Å; M67-I172 VanDerWaalsContact CE-CG2 3.41Å; M67-I172 HydrophobicContact CG-CD1 4.26Å; M67-I172 HydrophobicContact SD-CB 4.3Å; M67-I172 HydrophobicContact SD-CD1 3.99Å; M67-I172 HydrophobicContact SD-CG1 4.3Å
68	G	96.9	Very high	95.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	154.4	171.2	0	0	0	0	0	111.3	Q78 F79	G68-Q78 CarbonylContact O-C 3.58Å; G68-Q78 WeakPolarHBondContact O-CA 3.18Å; G68-F79 PolarHBondContact N-O 3.21Å; G68-F79 PolarHBondContact O-N 3.34Å
69	Y	96.9	Very high	95.2	Very high	12 Å²	12	27.3 Å²	27.3	5%	0.047	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	142.9	-178.9	-61.3	-97	0	0	0	111.2	M67 R71 L74 E77 Q78 L101 L102 S103 R105	M67-Y69 HydrophobicContact CB-CE2 4.11Å; M67-Y69 HydrophobicContact CG-CD2 4.49Å; M67-Y69 HydrophobicContact CG-CE1 4.41Å; M67-Y69 HydrophobicContact CG-CE2 3.79Å; M67-Y69 HydrophobicContact SD-CE1 3.92Å; M67-Y69 HydrophobicContact SD-CE2 4.03Å; M67-Y69 PolarHBondContact SD-OH 2.98Å; Y69-R71 VanDerWaalsContact C-N 3.31Å; Y69-R71 PolarHBondContact O-N 3.3Å; Y69-L74 WeakPolarHBondContact CD1-O 3.35Å; Y69-L74 HydrophobicContact CD2-CB 4.12Å; Y69-L74 HydrophobicContact CD2-CD2 3.75Å; Y69-L74 HydrophobicContact CE1-CB 4.33Å; Y69-L74 VanDerWaalsContact CE1-O 3.23Å; Y69-L74 WeakPolarHBondContact CE1-O 3.46Å; Y69-L74 HydrophobicContact CE2-CB 3.84Å; Y69-L74 HydrophobicContact CE2-CD2 3.63Å; Y69-L74 HydrophobicContact CE2-CG 4.33Å; Y69-L74 HydrophobicContact CG-CB 4.48Å; Y69-E77 VanDerWaalsContact CA-O 3.28Å; Y69-E77 WeakPolarHBondContact CA-O 3.48Å; Y69-Q78 HydrophobicContact CD1-CG 3.96Å; Y69-Q78 HydrophobicContact CE1-CG 3.81Å; Y69-L101 WeakPolarHBondContact O-CA 3.34Å; Y69-L102 PolarHBondContact O-N 3.42Å; Y69-S103 WeakPolarHBondContact CB-OG 3.44Å; Y69-S103 PolarHBondContact N-O 2.84Å; Y69-S103 PolarHBondContact O-N 2.74Å; Y69-R105 HydrophobicContact CE2-CG 4.19Å; Y69-R105 PolarHBondContact OH-NE 2.66Å
70	D	95.5	Very high	95.1	Very high	17 Å²	17	27.8 Å²	27.8	9%	0.091	15%	0.154	C	C	.	.	S	Bend	trans	-77.1	-13.5	-179.5	81.7	-29.8	0	0	0	114.6	G76 E77 F79 S98 S100 L102	D70-G76 WeakPolarHBondContact OD1-CA 3.35Å; D70-E77 HydrophobicContact CB-CB 4.15Å; D70-E77 PolarHBondContact N-O 2.84Å; D70-E77 PolarHBondContact OD1-N 2.84Å; D70-F79 HydrophobicContact CB-CE2 4.05Å; D70-F79 HydrophobicContact CB-CZ 4.04Å; D70-S98 WeakPolarHBondContact CB-OG 3.48Å; D70-S100 WeakPolarHBondContact CA-O 3.43Å; D70-L102 WeakPolarHBondContact O-CD1 3.23Å
71	R	96	Very high	94.9	Very high	143 Å²	143	26.2 Å²	26.2	54%	0.54	15%	0.146	S	C	.	.	S	Bend	trans	-118.2	165.8	174.7	-60.1	172.6	-149.4	-73	-15.9	111.5	Y69 T75 S103	Y69-R71 VanDerWaalsContact C-N 3.31Å; Y69-R71 PolarHBondContact O-N 3.3Å; R71-T75 WeakPolarHBondContact CB-O 3.34Å; R71-T75 WeakPolarHBondContact CB-OG1 3.32Å; R71-T75 PolarHBondContact N-O 2.84Å; R71-S103 PolarHBondContact O-OG 2.89Å
72	H	96	Very high	94.7	Very high	83 Å²	83	27.1 Å²	27.1	38%	0.384	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-64.3	162.2	169.1	-55	-83.2	0	0	0	111.2	K46 D47 L74 T75	K46-H72 CarbonylContact O-C 3.52Å; K46-H72 WeakPolarHBondContact O-CA 3.34Å; D47-H72 IonicContact OD1-CE1 3.87Å; D47-H72 PolarHBondContact OD1-CE1 3.31Å; D47-H72 IonicContact OD1-ND1 2.82Å; D47-H72 PolarHBondContact OD1-ND1 3.43Å; D47-H72 VanDerWaalsContact OD1-ND1 3.11Å; D47-H72 IonicContact OD2-CE1 3.77Å; D47-H72 IonicContact OD2-ND1 3.26Å; D47-H72 PolarHBondContact OD2-ND1 3.01Å; H72-L74 VanDerWaalsContact C-N 3.3Å; H72-L74 PolarHBondContact O-N 3.45Å; H72-T75 PolarHBondContact O-OG1 3.3Å
73	G	96.6	Very high	94.7	Very high	39 Å²	39	29.8 Å²	29.8	40%	0.402	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	71.3	18.6	172.1	0	0	0	0	0	115.4	K46	K46-G73 PolarHBondContact O-N 2.82Å
74	L	96.5	Very high	94.8	Very high	28 Å²	28	28.4 Å²	28.4	15%	0.147	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	65.2	44.2	179.7	-48.6	169.4	0	0	0	113	K46 Y69 H72 S103 R105	K46-L74 HydrophobicContact CG-CD1 4.44Å; K46-L74 HydrophobicContact CG-CG 4.33Å; Y69-L74 WeakPolarHBondContact CD1-O 3.35Å; Y69-L74 HydrophobicContact CD2-CB 4.12Å; Y69-L74 HydrophobicContact CD2-CD2 3.75Å; Y69-L74 HydrophobicContact CE1-CB 4.33Å; Y69-L74 VanDerWaalsContact CE1-O 3.23Å; Y69-L74 WeakPolarHBondContact CE1-O 3.46Å; Y69-L74 HydrophobicContact CE2-CB 3.84Å; Y69-L74 HydrophobicContact CE2-CD2 3.63Å; Y69-L74 HydrophobicContact CE2-CG 4.33Å; Y69-L74 HydrophobicContact CG-CB 4.48Å; H72-L74 VanDerWaalsContact C-N 3.3Å; H72-L74 PolarHBondContact O-N 3.45Å; L74-S103 VanDerWaalsContact CA-OG 3.26Å; L74-S103 WeakPolarHBondContact CA-OG 3.23Å; L74-S103 PolarHBondContact N-OG 2.87Å; L74-R105 HydrophobicContact CD2-CB 4.15Å; L74-R105 HydrophobicContact CD2-CG 4.46Å
75	T	94.9	Very high	95	Very high	59 Å²	59	32.9 Å²	32.9	36%	0.362	17%	0.169	S	C	.	.			trans	-127.7	160.9	-176.5	62.7	0	0	0	0	112.4	R71 H72	R71-T75 WeakPolarHBondContact CB-O 3.34Å; R71-T75 WeakPolarHBondContact CB-OG1 3.32Å; R71-T75 PolarHBondContact N-O 2.84Å; H72-T75 PolarHBondContact O-OG1 3.3Å
76	G	93.8	Very high	95.2	Very high	6 Å²	6	33.4 Å²	33.4	6%	0.062	17%	0.171	C	C	.	.	S	Bend	trans	99.5	-139.4	169.8	0	0	0	0	0	114.5	D70 R169 E185	D70-G76 WeakPolarHBondContact OD1-CA 3.35Å; G76-R169 PolarHBondContact O-NH2 2.82Å; G76-E185 PolarHBondContact N-OE2 3.35Å
77	E	94.2	Very high	95.3	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.037	18%	0.177	C	C	.	.	S	Bend	trans	-74.8	133.2	175	-175	163.5	-155.8	0	0	110.6	Y69 D70 F79 S95 R169	Y69-E77 VanDerWaalsContact CA-O 3.28Å; Y69-E77 WeakPolarHBondContact CA-O 3.48Å; D70-E77 HydrophobicContact CB-CB 4.15Å; D70-E77 PolarHBondContact N-O 2.84Å; D70-E77 PolarHBondContact OD1-N 2.84Å; E77-F79 HydrophobicContact CB-CE1 4.49Å; E77-F79 HydrophobicContact CB-CZ 4.26Å; E77-F79 HydrophobicContact CG-CD1 4.49Å; E77-F79 HydrophobicContact CG-CE1 3.7Å; E77-F79 HydrophobicContact CG-CZ 3.96Å; E77-S95 VanDerWaalsContact CD-OG 3.27Å; E77-S95 WeakPolarHBondContact OE1-CB 3.43Å; E77-S95 PolarHBondContact OE1-OG 3.16Å; E77-S95 PolarHBondContact OE2-OG 3.29Å; E77-R169 HydrophobicContact CG-CG 4.08Å
78	Q	94.5	Very high	95.3	Very high	14 Å²	14	39.5 Å²	39.5	7%	0.065	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	143.5	-174.5	-57.8	168.7	14.6	0	0	110.3	M67 G68 Y69 I172	M67-Q78 HydrophobicContact SD-CB 4.47Å; M67-Q78 HydrophobicContact SD-CG 4.37Å; G68-Q78 CarbonylContact O-C 3.58Å; G68-Q78 WeakPolarHBondContact O-CA 3.18Å; Y69-Q78 HydrophobicContact CD1-CG 3.96Å; Y69-Q78 HydrophobicContact CE1-CG 3.81Å; Q78-I172 HydrophobicContact CB-CD1 3.58Å; Q78-I172 HydrophobicContact CG-CD1 4.42Å; Q78-I172 VanDerWaalsContact OE1-N 3.14Å
79	F	94	Very high	95.1	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.2	177.3	-44.5	-66.6	0	0	0	109.6	M67 G68 D70 E77 L81	M67-F79 WeakPolarHBondContact CA-O 3.39Å; G68-F79 PolarHBondContact N-O 3.21Å; G68-F79 PolarHBondContact O-N 3.34Å; D70-F79 HydrophobicContact CB-CE2 4.05Å; D70-F79 HydrophobicContact CB-CZ 4.04Å; E77-F79 HydrophobicContact CB-CE1 4.49Å; E77-F79 HydrophobicContact CB-CZ 4.26Å; E77-F79 HydrophobicContact CG-CD1 4.49Å; E77-F79 HydrophobicContact CG-CE1 3.7Å; E77-F79 HydrophobicContact CG-CZ 3.96Å; F79-L81 HydrophobicContact CB-CD2 4.24Å
80	I	94.3	Very high	94.8	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.051	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	122	167	-165.5	65.7	0	0	0	109.5	P65 E82 L107 V159 Q170 V197	P65-I80 HydrophobicContact CB-CD1 4.02Å; I80-E82 HydrophobicContact CG1-CG 4.25Å; I80-L107 HydrophobicContact CD1-CD2 3.36Å; I80-V159 HydrophobicContact CB-CG2 4.4Å; I80-V159 HydrophobicContact CG1-CG2 4.44Å; I80-Q170 VanDerWaalsContact N-OE1 3.07Å; I80-V197 HydrophobicContact CD1-CG1 4.26Å; I80-V197 HydrophobicContact CD1-CG2 4.29Å
81	L	94.8	Very high	94.7	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	93.4	-179.4	-54.6	174.4	0	0	0	107.9	L59 V61 P65 W66 F79 W92 L101	L59-L81 HydrophobicContact CD1-CD1 4.47Å; L59-L81 HydrophobicContact CD1-CD2 4.44Å; L59-L81 HydrophobicContact CD2-CD1 4.06Å; L59-L81 HydrophobicContact CD2-CD2 4.28Å; V61-L81 HydrophobicContact CG2-CB 3.89Å; P65-L81 CarbonylContact C-O 3.37Å; P65-L81 WeakPolarHBondContact CA-O 3.48Å; W66-L81 HydrophobicContact CB-CB 4.06Å; W66-L81 HydrophobicContact CB-CD1 4.33Å; W66-L81 PolarHBondContact N-O 3.26Å; W66-L81 PolarHBondContact O-N 3.02Å; F79-L81 HydrophobicContact CB-CD2 4.24Å; L81-W92 HydrophobicContact CD2-CB 3.54Å; L81-W92 HydrophobicContact CD2-CG 4.3Å; L81-L101 HydrophobicContact CD1-CD1 4.01Å
82	E	92.8	Very high	94.5	Very high	21 Å²	21	38.6 Å²	38.6	10%	0.098	20%	0.199	C	C	.	.			trans	-78.3	167.7	176.4	-66.8	176.1	166.9	0	0	109.8	V61 I80 G84 Y86 R195	V61-E82 VanDerWaalsContact CB-O 3.28Å; V61-E82 WeakPolarHBondContact CB-O 3.46Å; V61-E82 WeakPolarHBondContact CG2-O 3.39Å; I80-E82 HydrophobicContact CG1-CG 4.25Å; E82-G84 PolarHBondContact O-N 2.72Å; E82-Y86 PolarHBondContact N-OH 2.67Å; E82-Y86 WeakPolarHBondContact O-CE2 3.37Å; E82-Y86 PolarHBondContact O-OH 3.08Å; E82-R195 IonicContact OE1-CZ 3.2Å; E82-R195 VanDerWaalsContact OE1-CZ 3.26Å; E82-R195 IonicContact OE1-NH1 3.92Å; E82-R195 PolarHBondContact OE1-NH1 3.09Å; E82-R195 IonicContact OE1-NH2 3.76Å; E82-R195 PolarHBondContact OE1-NH2 3.27Å; E82-R195 IonicContact OE2-NH2 3.11Å
83	K	92.7	Very high	94.2	Very high	109 Å²	109	34.9 Å²	34.9	47%	0.474	18%	0.182	S	C	.	.	S	Bend	trans	-56.2	126.9	177	-176.3	179.8	-179.9	167.7	0	110.1	V61 D62 W202	V61-K83 WeakPolarHBondContact O-CA 3.3Å; V61-K83 WeakPolarHBondContact O-CG 3.4Å; D62-K83 VanDerWaalsContact O-CE 3.32Å; D62-K83 WeakPolarHBondContact O-CE 3.36Å; K83-W202 HydrophobicContact CB-CH2 3.68Å; K83-W202 HydrophobicContact CB-CZ2 4.42Å; K83-W202 HydrophobicContact CB-CZ3 3.89Å; K83-W202 HydrophobicContact CD-CH2 3.82Å; K83-W202 HydrophobicContact CD-CZ2 3.93Å; K83-W202 HydrophobicContact CG-CH2 4.34Å
84	G	93.7	Very high	93.7	Very high	22 Å²	22	36.4 Å²	36.4	23%	0.227	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155	-175.4	-179.3	0	0	0	0	0	113.9	I60 V61 E82	I60-G84 WeakPolarHBondContact CA-O 3.38Å; V61-G84 PolarHBondContact N-O 3.11Å; V61-G84 PolarHBondContact O-N 3.34Å; V61-G84 VanDerWaalsContact O-N 3.09Å; E82-G84 PolarHBondContact O-N 2.72Å
85	E	96.7	Very high	93.2	Very high	110 Å²	110	36.4 Å²	36.4	51%	0.514	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.4	-178.8	-72.2	-176.6	-165	0	0	110.1	F34 I60	F34-E85 HydrophobicContact CE1-CB 4.45Å; F34-E85 HydrophobicContact CE2-CB 4.41Å; F34-E85 HydrophobicContact CZ-CB 3.74Å; F34-E85 HydrophobicContact CZ-CG 4.2Å; I60-E85 HydrophobicContact CG1-CG 4.27Å; I60-E85 HydrophobicContact CG2-CG 4.37Å
86	Y	97.1	Very high	92.7	Very high	18 Å²	18	40 Å²	40	7%	0.071	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	85.5	-179	-64.1	-95.5	0	0	0	108.6	S58 L59 V61 E82 R88 T91 W92	S58-Y86 VanDerWaalsContact CA-O 3.29Å; S58-Y86 WeakPolarHBondContact CA-O 3.48Å; S58-Y86 VanDerWaalsContact CB-O 3.26Å; S58-Y86 WeakPolarHBondContact CB-O 3.48Å; L59-Y86 HydrophobicContact CD1-CD2 3.32Å; L59-Y86 HydrophobicContact CD1-CE2 4.01Å; L59-Y86 HydrophobicContact CD1-CG 3.8Å; L59-Y86 HydrophobicContact CG-CD2 4.25Å; L59-Y86 HydrophobicContact CG-CG 4.28Å; L59-Y86 PolarHBondContact N-O 2.85Å; L59-Y86 WeakPolarHBondContact O-CA 3.27Å; L59-Y86 WeakPolarHBondContact O-CB 3.48Å; L59-Y86 PolarHBondContact O-N 3.28Å; V61-Y86 HydrophobicContact CG2-CE2 4.07Å; E82-Y86 PolarHBondContact N-OH 2.67Å; E82-Y86 WeakPolarHBondContact O-CE2 3.37Å; E82-Y86 PolarHBondContact O-OH 3.08Å; Y86-R88 PolarHBondContact O-N 2.91Å; Y86-T91 VanDerWaalsContact CA-OG1 3.24Å; Y86-T91 WeakPolarHBondContact CA-OG1 3.35Å; Y86-T91 WeakPolarHBondContact CB-OG1 3.2Å; Y86-T91 WeakPolarHBondContact CD1-O 3.49Å; Y86-T91 WeakPolarHBondContact CE1-O 3.48Å; Y86-W92 HydrophobicContact CD1-CB 3.8Å; Y86-W92 HydrophobicContact CE1-CB 4.13Å
87	P	96.9	Very high	92.2	Very high	21 Å²	21	49.6 Å²	49.6	14%	0.136	23%	0.23	C	C	.	.			trans	-70.3	-15.7	-169.2	26.7	-35.7	0	0	0	113.9	E32 N33 F34 S58 T91	E32-P87 CarbonylContact C-O 3.59Å; E32-P87 WeakPolarHBondContact CA-O 3.42Å; E32-P87 WeakPolarHBondContact CB-O 3.37Å; N33-P87 PolarHBondContact N-O 2.88Å; F34-P87 HydrophobicContact CE2-CB 4.24Å; F34-P87 HydrophobicContact CZ-CB 3.86Å; S58-P87 WeakPolarHBondContact CB-O 3.49Å; P87-T91 HydrophobicContact CG-CG2 4.13Å
88	R	95.8	Very high	91.8	Very high	107 Å²	107	50 Å²	50	40%	0.404	23%	0.234	S	C	.	.	S	Bend	trans	-151.1	164.7	179.8	-60.7	-164.9	-53.4	-140.7	-5.2	111.9	E32 G57 Y86 D90 T91 W92	E32-R88 HydrophobicContact CB-CG 4.08Å; E32-R88 VanDerWaalsContact CD-CD 3.46Å; E32-R88 VanDerWaalsContact CD-CG 3.49Å; E32-R88 HydrophobicContact CG-CB 4.41Å; E32-R88 HydrophobicContact CG-CG 3.9Å; E32-R88 WeakPolarHBondContact OE2-CD 3.24Å; E32-R88 WeakPolarHBondContact OE2-CG 3.35Å; G57-R88 WeakPolarHBondContact O-CA 3.35Å; Y86-R88 PolarHBondContact O-N 2.91Å; R88-D90 VanDerWaalsContact C-N 3.3Å; R88-D90 WeakPolarHBondContact CB-OD1 3.43Å; R88-D90 IonicContact CZ-OD1 3.55Å; R88-D90 IonicContact CZ-OD2 2.96Å; R88-D90 IonicContact NE-OD1 3.73Å; R88-D90 PolarHBondContact NE-OD1 2.83Å; R88-D90 IonicContact NE-OD2 3.62Å; R88-D90 IonicContact NH2-OD1 2.89Å; R88-D90 IonicContact NH2-OD2 3.75Å; R88-D90 PolarHBondContact NH2-OD2 3.31Å; R88-D90 PolarHBondContact O-N 3.15Å; R88-T91 HydrophobicContact CB-CG2 4.46Å; R88-T91 WeakPolarHBondContact O-CB 3.08Å; R88-T91 PolarHBondContact O-N 2.97Å; R88-T91 PolarHBondContact O-OG1 2.95Å; R88-W92 WeakPolarHBondContact O-CZ3 3.34Å
89	W	92.9	Very high	91.6	Very high	69 Å²	69	54.1 Å²	54.1	26%	0.261	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-59.8	-35.5	-178.6	72.4	-85.8	0	0	0	114.7	T91 W92 T93 Q96 F99	W89-T91 PolarHBondContact O-N 2.91Å; W89-T91 VanDerWaalsContact O-N 3.13Å; W89-W92 VanDerWaalsContact CA-CE2 3.48Å; W89-W92 HydrophobicContact CB-CH2 3.77Å; W89-W92 HydrophobicContact CB-CZ2 3.43Å; W89-W92 VanDerWaalsContact CB-CZ2 3.43Å; W89-W92 HydrophobicContact CB-CZ3 4.49Å; W89-W92 PolarHBondContact O-N 3.38Å; W89-T93 HydrophobicContact CE3-CG2 3.6Å; W89-T93 HydrophobicContact CZ3-CG2 3.63Å; W89-T93 WeakPolarHBondContact O-CG2 3.36Å; W89-T93 PolarHBondContact O-N 3.34Å; W89-Q96 HydrophobicContact CH2-CB 4.21Å; W89-Q96 HydrophobicContact CZ3-CB 4.23Å; W89-F99 HydrophobicContact CB-CB 4.04Å; W89-F99 HydrophobicContact CD2-CB 3.46Å; W89-F99 VanDerWaalsContact CD2-CB 3.46Å; W89-F99 HydrophobicContact CE3-CB 3.59Å; W89-F99 HydrophobicContact CG-CB 3.65Å; W89-F99 HydrophobicContact CZ3-CB 4.23Å
90	D	91.3	Very high	91.6	Very high	50 Å²	50	55.6 Å²	55.6	27%	0.267	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-66.3	-13.2	178.8	60	-64.9	0	0	0	113.2	R88	R88-D90 VanDerWaalsContact C-N 3.3Å; R88-D90 WeakPolarHBondContact CB-OD1 3.43Å; R88-D90 IonicContact CZ-OD1 3.55Å; R88-D90 IonicContact CZ-OD2 2.96Å; R88-D90 IonicContact NE-OD1 3.73Å; R88-D90 PolarHBondContact NE-OD1 2.83Å; R88-D90 IonicContact NE-OD2 3.62Å; R88-D90 IonicContact NH2-OD1 2.89Å; R88-D90 IonicContact NH2-OD2 3.75Å; R88-D90 PolarHBondContact NH2-OD2 3.31Å; R88-D90 PolarHBondContact O-N 3.15Å
91	T	92.9	Very high	91.7	Very high	31 Å²	31	55.2 Å²	55.2	19%	0.19	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-86.6	-18.2	-179.7	68.5	0	0	0	0	113.9	Y86 P87 R88 W89	Y86-T91 VanDerWaalsContact CA-OG1 3.24Å; Y86-T91 WeakPolarHBondContact CA-OG1 3.35Å; Y86-T91 WeakPolarHBondContact CB-OG1 3.2Å; Y86-T91 WeakPolarHBondContact CD1-O 3.49Å; Y86-T91 WeakPolarHBondContact CE1-O 3.48Å; P87-T91 HydrophobicContact CG-CG2 4.13Å; R88-T91 HydrophobicContact CB-CG2 4.46Å; R88-T91 WeakPolarHBondContact O-CB 3.08Å; R88-T91 PolarHBondContact O-N 2.97Å; R88-T91 PolarHBondContact O-OG1 2.95Å; W89-T91 PolarHBondContact O-N 2.91Å; W89-T91 VanDerWaalsContact O-N 3.13Å
92	W	92.5	Very high	91.8	Very high	4 Å²	4	57 Å²	57	2%	0.015	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-18.6	174.6	62.1	73	0	0	0	114.1	V56 L59 L81 Y86 R88 W89 L101	V56-W92 HydrophobicContact CG1-CH2 4.02Å; L59-W92 HydrophobicContact CD2-CD2 4.26Å; L59-W92 HydrophobicContact CD2-CE3 3.82Å; L59-W92 HydrophobicContact CD2-CZ3 4.09Å; L59-W92 HydrophobicContact CG-CE3 4.12Å; L59-W92 HydrophobicContact CG-CZ3 4.29Å; L81-W92 HydrophobicContact CD2-CB 3.54Å; L81-W92 HydrophobicContact CD2-CG 4.3Å; Y86-W92 HydrophobicContact CD1-CB 3.8Å; Y86-W92 HydrophobicContact CE1-CB 4.13Å; R88-W92 WeakPolarHBondContact O-CZ3 3.34Å; W89-W92 VanDerWaalsContact CA-CE2 3.48Å; W89-W92 HydrophobicContact CB-CH2 3.77Å; W89-W92 HydrophobicContact CB-CZ2 3.43Å; W89-W92 VanDerWaalsContact CB-CZ2 3.43Å; W89-W92 HydrophobicContact CB-CZ3 4.49Å; W89-W92 PolarHBondContact O-N 3.38Å; W92-L101 HydrophobicContact CZ2-CB 4.32Å
93	T	89.1	Confident	92	Very high	4 Å²	4	56 Å²	56	3%	0.025	27%	0.265	C	S	.	.			trans	-96.8	132.2	177.3	-175.8	0	0	0	0	112.2	W89 S95 Q96	W89-T93 HydrophobicContact CE3-CG2 3.6Å; W89-T93 HydrophobicContact CZ3-CG2 3.63Å; W89-T93 WeakPolarHBondContact O-CG2 3.36Å; W89-T93 PolarHBondContact O-N 3.34Å; T93-S95 PolarHBondContact OG1-N 2.83Å; T93-S95 PolarHBondContact OG1-OG 2.64Å; T93-Q96 HydrophobicContact CG2-CG 4.4Å; T93-Q96 PolarHBondContact OG1-N 2.93Å
94	N	85.4	Confident	92.3	Very high	71 Å²	71	50.9 Å²	50.9	38%	0.38	24%	0.243	S	C	.	.	S	Bend	trans	-96.6	-4.8	173.9	-75.6	3.2	0	0	0	112.7	Y161 Y166 G168 Q170	N94-Y161 WeakPolarHBondContact ND2-CE1 3.16Å; N94-Y166 PolarHBondContact ND2-O 3.2Å; N94-G168 CarbonylContact C-O 3.6Å; N94-G168 WeakPolarHBondContact CB-O 3.23Å; N94-G168 WeakPolarHBondContact O-CA 3.48Å; N94-G168 PolarHBondContact O-N 2.82Å; N94-Q170 HydrophobicContact CB-CG 4.48Å
95	S	86.3	Confident	92.5	Very high	28 Å²	28	51.9 Å²	51.9	20%	0.196	24%	0.24	C	C	.	.	S	Bend	trans	-107.3	-21.3	-178.3	75.8	0	0	0	0	113.8	E77 T93 R97	E77-S95 VanDerWaalsContact CD-OG 3.27Å; E77-S95 WeakPolarHBondContact OE1-CB 3.43Å; E77-S95 PolarHBondContact OE1-OG 3.16Å; E77-S95 PolarHBondContact OE2-OG 3.29Å; T93-S95 PolarHBondContact OG1-N 2.83Å; T93-S95 PolarHBondContact OG1-OG 2.64Å; S95-R97 PolarHBondContact O-N 3.11Å; S95-R97 VanDerWaalsContact O-N 3.08Å; S95-R97 PolarHBondContact OG-N 2.93Å; S95-R97 VanDerWaalsContact OG-N 3.16Å
96	Q	84.3	Confident	92.4	Very high	136 Å²	136	47.9 Å²	47.9	64%	0.636	22%	0.223	S	C	*	.			trans	53.6	20	-171.4	-59.1	179	7	0	0	114.3	W89 T93	W89-Q96 HydrophobicContact CH2-CB 4.21Å; W89-Q96 HydrophobicContact CZ3-CB 4.23Å; T93-Q96 HydrophobicContact CG2-CG 4.4Å; T93-Q96 PolarHBondContact OG1-N 2.93Å
97	R	84.8	Confident	92.2	Very high	207 Å²	207	47 Å²	47	78%	0.781	22%	0.22	S	C	*	.	S	Bend	trans	-80.9	-33	179.3	-81.6	-177.3	158.6	-96	-1.7	113.4	S95	S95-R97 PolarHBondContact O-N 3.11Å; S95-R97 VanDerWaalsContact O-N 3.08Å; S95-R97 PolarHBondContact OG-N 2.93Å; S95-R97 VanDerWaalsContact OG-N 3.16Å
98	S	86.1	Confident	91.8	Very high	16 Å²	16	49.7 Å²	49.7	11%	0.112	23%	0.229	C	C	.	.			trans	-133.9	135.8	-180	-169.9	0	0	0	0	110	D70 S100	D70-S98 WeakPolarHBondContact CB-OG 3.48Å; S98-S100 PolarHBondContact OG-N 3.01Å
99	F	89.2	Confident	91.3	Very high	101 Å²	101	45.6 Å²	45.6	44%	0.443	22%	0.216	S	C	.	.			trans	-94.9	-6.3	170.7	64	-96.1	0	0	0	112	K55 W89	K55-F99 HydrophobicContact CD-CE2 4.41Å; W89-F99 HydrophobicContact CB-CB 4.04Å; W89-F99 HydrophobicContact CD2-CB 3.46Å; W89-F99 VanDerWaalsContact CD2-CB 3.46Å; W89-F99 HydrophobicContact CE3-CB 3.59Å; W89-F99 HydrophobicContact CG-CB 3.65Å; W89-F99 HydrophobicContact CZ3-CB 4.23Å
100	S	94.1	Very high	90.3	Very high	32 Å²	32	48 Å²	48	22%	0.224	23%	0.234	C	C	.	.			trans	-82.1	141	-174.5	-62	0	0	0	0	111.3	D70 S98	D70-S100 WeakPolarHBondContact CA-O 3.43Å; S98-S100 PolarHBondContact OG-N 3.01Å
101	L	96.4	Very high	89.1	Confident	2 Å²	2	48 Å²	48	1%	0.01	24%	0.238	C	C	.	.			trans	-133.9	106.2	166.3	-175.3	153.6	0	0	0	105.9	V48 V56 L59 Y69 L81 W92 L104	V48-L101 HydrophobicContact CG1-CD2 4.3Å; V48-L101 WeakPolarHBondContact CG2-O 3.43Å; V56-L101 HydrophobicContact CB-CB 4.37Å; V56-L101 HydrophobicContact CG2-CD2 4.21Å; V56-L101 WeakPolarHBondContact CG2-O 3.45Å; L59-L101 HydrophobicContact CD2-CD1 3.55Å; Y69-L101 WeakPolarHBondContact O-CA 3.34Å; L81-L101 HydrophobicContact CD1-CD1 4.01Å; W92-L101 HydrophobicContact CZ2-CB 4.32Å; L101-L104 HydrophobicContact CD2-CD2 3.79Å
102	L	96.7	Very high	88.4	Confident	37 Å²	37	51.5 Å²	51.5	19%	0.194	27%	0.27	C	S	.	.			trans	-116.5	-18.3	-168.2	-67.6	179.7	0	0	0	113.3	D47 V48 T49 Y69 D70	D47-L102 WeakPolarHBondContact CA-O 3.26Å; V48-L102 PolarHBondContact N-O 2.96Å; T49-L102 HydrophobicContact CG2-CD2 4.21Å; Y69-L102 PolarHBondContact O-N 3.42Å; D70-L102 WeakPolarHBondContact O-CD1 3.23Å
103	S	97.8	Very high	88.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	157.8	171.6	63.2	0	0	0	0	110.8	C45 K46 Y69 R71 L74	C45-S103 CarbonylContact O-C 3.51Å; C45-S103 VanDerWaalsContact O-CA 3.32Å; C45-S103 WeakPolarHBondContact O-CA 3.45Å; C45-S103 VanDerWaalsContact O-CB 3.23Å; C45-S103 WeakPolarHBondContact O-CB 3.44Å; K46-S103 WeakPolarHBondContact O-CB 3.4Å; Y69-S103 WeakPolarHBondContact CB-OG 3.44Å; Y69-S103 PolarHBondContact N-O 2.84Å; Y69-S103 PolarHBondContact O-N 2.74Å; R71-S103 PolarHBondContact O-OG 2.89Å; L74-S103 VanDerWaalsContact CA-OG 3.26Å; L74-S103 WeakPolarHBondContact CA-OG 3.23Å; L74-S103 PolarHBondContact N-OG 2.87Å
104	L	97.9	Very high	88.5	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	151.9	-175.3	58.2	96.7	0	0	0	111.7	V26 V28 F41 E44 C45 V48 W66 M67 L101	V26-L104 HydrophobicContact CG1-CD1 3.83Å; V28-L104 HydrophobicContact CG1-CD2 4.23Å; F41-L104 HydrophobicContact CB-CD1 4.03Å; F41-L104 HydrophobicContact CD2-CD1 4.34Å; F41-L104 HydrophobicContact CD2-CD2 4.23Å; F41-L104 HydrophobicContact CE2-CD2 4.4Å; F41-L104 HydrophobicContact CG-CD1 4.19Å; E44-L104 WeakPolarHBondContact CA-O 3.48Å; C45-L104 HydrophobicContact CB-CD1 4.44Å; C45-L104 HydrophobicContact CB-CG 4.37Å; C45-L104 PolarHBondContact N-O 2.89Å; C45-L104 PolarHBondContact O-N 2.93Å; V48-L104 HydrophobicContact CG1-CD2 3.63Å; V48-L104 HydrophobicContact CG1-CG 4.29Å; W66-L104 HydrophobicContact CD2-CD1 4.38Å; W66-L104 HydrophobicContact CE3-CD1 3.31Å; W66-L104 HydrophobicContact CH2-CD1 4.2Å; W66-L104 HydrophobicContact CZ3-CD1 3.21Å; M67-L104 CarbonylContact O-C 3.44Å; M67-L104 WeakPolarHBondContact O-CA 3.43Å; L101-L104 HydrophobicContact CD2-CD2 3.79Å
105	R	97.5	Very high	89.1	Confident	43 Å²	43	55.6 Å²	55.6	16%	0.162	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	152.9	173.9	69.5	177.6	176.8	100.8	-10.9	112.4	E44 W66 M67 Y69 L74 L107 E174	E44-R105 HydrophobicContact CB-CB 3.79Å; W66-R105 WeakPolarHBondContact CA-O 3.33Å; M67-R105 HydrophobicContact CB-CG 4.24Å; M67-R105 VanDerWaalsContact CE-NH2 3.28Å; M67-R105 PolarHBondContact N-O 2.92Å; M67-R105 PolarHBondContact O-N 3.23Å; Y69-R105 HydrophobicContact CE2-CG 4.19Å; Y69-R105 PolarHBondContact OH-NE 2.66Å; L74-R105 HydrophobicContact CD2-CB 4.15Å; L74-R105 HydrophobicContact CD2-CG 4.46Å; R105-L107 PolarHBondContact O-N 3Å; R105-E174 IonicContact CZ-OE2 3Å; R105-E174 IonicContact NH1-OE1 3.19Å; R105-E174 PolarHBondContact NH1-OE1 2.91Å; R105-E174 IonicContact NH1-OE2 3.89Å; R105-E174 IonicContact NH2-OE1 3.66Å; R105-E174 IonicContact NH2-OE2 3.75Å; R105-E174 PolarHBondContact NH2-OE2 2.89Å
106	P	95.9	Very high	89.7	Confident	26 Å²	26	54.3 Å²	54.3	17%	0.169	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	136.3	164.3	-26.3	37.4	0	0	0	110.9	Y24 W66	Y24-P106 HydrophobicContact CD1-CB 3.69Å; Y24-P106 HydrophobicContact CD1-CG 4.45Å; Y24-P106 HydrophobicContact CD2-CB 3.81Å; Y24-P106 HydrophobicContact CD2-CG 4.33Å; Y24-P106 HydrophobicContact CE1-CB 3.9Å; Y24-P106 HydrophobicContact CE2-CB 4.02Å; Y24-P106 HydrophobicContact CG-CB 3.64Å; Y24-P106 HydrophobicContact CG-CG 4.05Å; W66-P106 HydrophobicContact CE3-CG 4.14Å; W66-P106 HydrophobicContact CH2-CG 3.79Å; W66-P106 HydrophobicContact CZ2-CG 4.26Å; W66-P106 VanDerWaalsContact CZ3-CD 3.4Å; W66-P106 HydrophobicContact CZ3-CG 3.7Å
107	L	93.1	Very high	90.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-101.5	119	171.7	-179.5	59.7	0	0	0	109.2	Y24 P65 M67 I80 R105 V109 T157 I172 E174 V197	Y24-L107 PolarHBondContact OH-O 2.91Å; P65-L107 HydrophobicContact CG-CB 4.33Å; P65-L107 HydrophobicContact CG-CD2 4.43Å; P65-L107 PolarHBondContact O-N 3.23Å; M67-L107 HydrophobicContact CE-CD1 3.78Å; M67-L107 HydrophobicContact CE-CD2 4.26Å; I80-L107 HydrophobicContact CD1-CD2 3.36Å; R105-L107 PolarHBondContact O-N 3Å; L107-V109 HydrophobicContact CG-CG2 4.4Å; L107-T157 HydrophobicContact CD1-CG2 4.17Å; L107-T157 HydrophobicContact CD2-CG2 4Å; L107-T157 HydrophobicContact CG-CG2 4.33Å; L107-I172 HydrophobicContact CD1-CG2 4.46Å; L107-I172 HydrophobicContact CD2-CG2 4.43Å; L107-E174 HydrophobicContact CD1-CG 3.95Å; L107-V197 HydrophobicContact CD2-CG1 4.27Å; L107-V197 HydrophobicContact CD2-CG2 4.48Å
108	K	88	Confident	91	Very high	78 Å²	78	38.8 Å²	38.8	34%	0.339	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-74.7	127	174.8	-65.2	-178.4	-176.5	174.4	0	109.1	S16 T157	S16-K108 PolarHBondContact OG-NZ 3.32Å; K108-T157 PolarHBondContact O-OG1 2.97Å
109	V	85.2	Confident	91.6	Very high	21 Å²	21	39.2 Å²	39.2	13%	0.127	21%	0.212	C	C	.	.			trans	-118.8	83	179.2	-175.2	0	0	0	0	107.9	P65 L107 V197 D199	P65-V109 HydrophobicContact CG-CG2 3.49Å; P65-V109 VanDerWaalsContact CG-CG2 3.49Å; L107-V109 HydrophobicContact CG-CG2 4.4Å; V109-V197 HydrophobicContact CG1-CG1 4.48Å; V109-V197 VanDerWaalsContact CG1-O 3.27Å; V109-V197 WeakPolarHBondContact CG1-O 3.27Å; V109-V197 HydrophobicContact CG2-CB 4.48Å; V109-V197 HydrophobicContact CG2-CG1 3.69Å; V109-D199 HydrophobicContact CB-CB 4.32Å; V109-D199 HydrophobicContact CG1-CB 4.31Å
110	D	71.4	Confident	92	Very high	119 Å²	119	36.9 Å²	36.9	64%	0.636	20%	0.203	S	C	*	.			trans	-105.4	87.4	-177.3	-69	-19.5	0	0	0	109.6
111	S	67.5	Low	92.2	Very high	51 Å²	51	37.1 Å²	37.1	36%	0.357	21%	0.205	S	C	.	.			trans	-180	134.6	158	-91.7	0	0	0	0	114	E113 H114 G156	S111-E113 VanDerWaalsContact C-N 3.3Å; S111-E113 WeakPolarHBondContact CB-O 3.5Å; S111-E113 PolarHBondContact OG-O 3.19Å; S111-H114 PolarHBondContact O-CE1 3.28Å; S111-H114 VanDerWaalsContact O-CE1 3.29Å; S111-G156 PolarHBondContact OG-N 3.24Å
112	A	77.4	Confident	92.3	Very high	103 Å²	103	39.4 Å²	39.4	85%	0.851	22%	0.219	S	C	*	.	S	Bend	trans	-70.5	-28.6	158.1	0	0	0	0	0	112.2
113	E	89.7	Confident	92.4	Very high	102 Å²	102	39.6 Å²	39.6	48%	0.477	23%	0.23	S	C	.	.	S	Bend	trans	-114.3	136.9	-175.3	-64	177.1	-170.6	0	0	112.1	S111 K155	S111-E113 VanDerWaalsContact C-N 3.3Å; S111-E113 WeakPolarHBondContact CB-O 3.5Å; S111-E113 PolarHBondContact OG-O 3.19Å; E113-K155 HydrophobicContact CB-CD 4.09Å; E113-K155 VanDerWaalsContact O-CB 3.25Å; E113-K155 WeakPolarHBondContact O-CB 3.43Å; E113-K155 IonicContact OE2-NZ 2.73Å; E113-K155 PolarHBondContact OE2-NZ 3.15Å
114	H	94.4	Very high	92.4	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.037	24%	0.239	C	C	.	.			trans	-120.4	129.4	-177.6	-67.4	72.4	0	0	0	110	S111 V132 D133 W158 R196 V197	S111-H114 PolarHBondContact O-CE1 3.28Å; S111-H114 VanDerWaalsContact O-CE1 3.29Å; H114-V132 WeakPolarHBondContact O-CA 3.26Å; H114-D133 PolarHBondContact N-OD1 2.87Å; H114-D133 IonicContact ND1-OD1 2.78Å; H114-D133 PolarHBondContact O-N 2.9Å; H114-W158 HydrophobicContact CB-CH2 4.03Å; H114-W158 HydrophobicContact CB-CZ2 3.46Å; H114-W158 VanDerWaalsContact CB-CZ2 3.46Å; H114-R196 VanDerWaalsContact CB-CD 3.4Å; H114-R196 HydrophobicContact CB-CG 3.79Å; H114-R196 VanDerWaalsContact CG-CD 3.42Å; H114-V197 PolarHBondContact NE2-O 2.96Å
115	K	97.3	Very high	92.5	Very high	56 Å²	56	45.1 Å²	45.1	24%	0.243	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	123	175.2	-174.7	166.2	-175.4	147.9	0	111.9	H117 E130 I131 V132 L154 K155	K115-H117 WeakPolarHBondContact CE-NE2 3.48Å; K115-E130 VanDerWaalsContact CE-CD 3.44Å; K115-E130 VanDerWaalsContact CE-OE1 3.24Å; K115-E130 WeakPolarHBondContact CE-OE1 3.34Å; K115-E130 WeakPolarHBondContact CE-OE2 3.49Å; K115-E130 IonicContact NZ-OE1 3.79Å; K115-E130 PolarHBondContact NZ-OE1 3.11Å; K115-E130 IonicContact NZ-OE2 3.56Å; K115-E130 PolarHBondContact NZ-OE2 3.05Å; K115-I131 WeakPolarHBondContact CA-O 3.28Å; K115-V132 HydrophobicContact CD-CG2 4.27Å; K115-V132 HydrophobicContact CG-CG2 4.14Å; K115-L154 HydrophobicContact CB-CB 4.22Å; K115-L154 HydrophobicContact CD-CD1 3.96Å; K115-L154 HydrophobicContact CG-CB 4.22Å; K115-L154 HydrophobicContact CG-CD1 4.02Å; K115-L154 PolarHBondContact O-N 3.33Å; K115-K155 HydrophobicContact CB-CB 4.19Å; K115-K155 HydrophobicContact CB-CG 4.4Å; K115-K155 PolarHBondContact N-O 2.87Å; K115-K155 PolarHBondContact O-N 2.81Å; K115-K155 VanDerWaalsContact O-N 3.1Å
116	L	98.3	Very high	92.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.5	-179.4	-166.9	67.9	0	0	0	110.8	L118 I131 V151 K152 A153 W158 V194	L116-L118 HydrophobicContact CD2-CD2 3.69Å; L116-L118 HydrophobicContact CD2-CG 4.36Å; L116-L118 HydrophobicContact CG-CD2 3.95Å; L116-I131 HydrophobicContact CB-CB 4.47Å; L116-I131 PolarHBondContact N-O 2.85Å; L116-I131 PolarHBondContact O-N 2.85Å; L116-V151 HydrophobicContact CD1-CG1 3.46Å; L116-V151 VanDerWaalsContact CD1-CG1 3.46Å; L116-V151 HydrophobicContact CG-CG1 4.2Å; L116-K152 WeakPolarHBondContact CA-O 3.34Å; L116-A153 HydrophobicContact CD1-CB 3.84Å; L116-W158 HydrophobicContact CB-CD2 3.92Å; L116-W158 HydrophobicContact CB-CE3 4.37Å; L116-W158 HydrophobicContact CB-CG 4.39Å; L116-W158 HydrophobicContact CB-CH2 4.11Å; L116-W158 HydrophobicContact CB-CZ2 3.62Å; L116-W158 HydrophobicContact CB-CZ3 4.46Å; L116-W158 HydrophobicContact CD1-CD2 4.47Å; L116-W158 HydrophobicContact CD1-CG 4.08Å; L116-W158 HydrophobicContact CD2-CB 4.22Å; L116-W158 HydrophobicContact CD2-CD2 3.86Å; L116-W158 HydrophobicContact CD2-CE3 3.97Å; L116-W158 HydrophobicContact CD2-CG 3.99Å; L116-W158 HydrophobicContact CG-CD2 4.32Å; L116-W158 HydrophobicContact CG-CG 4.41Å; L116-V194 HydrophobicContact CD2-CG1 4.5Å; L116-V194 HydrophobicContact CD2-CG2 3.62Å
117	H	98.6	Very high	92.5	Very high	16 Å²	16	49.4 Å²	49.4	7%	0.074	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.5	166.8	-61.7	165.4	0	0	0	110	K115 Y119 K128 M129 E130 V151 K152 L154	K115-H117 WeakPolarHBondContact CE-NE2 3.48Å; H117-Y119 HydrophobicContact CB-CD2 4.32Å; H117-Y119 HydrophobicContact CB-CE2 3.51Å; H117-K128 PolarHBondContact CE1-NZ 3.47Å; H117-K128 WeakPolarHBondContact ND1-CE 3.33Å; H117-K128 PolarHBondContact NE2-NZ 2.78Å; H117-M129 CarbonylContact C-O 3.6Å; H117-M129 WeakPolarHBondContact CA-O 3.28Å; H117-E130 IonicContact CD2-OE2 2.73Å; H117-E130 IonicContact CE1-OE2 3.52Å; H117-E130 IonicContact NE2-OE2 3.56Å; H117-E130 PolarHBondContact NE2-OE2 2.88Å; H117-V151 CarbonylContact O-C 3.59Å; H117-V151 WeakPolarHBondContact O-CA 3.46Å; H117-K152 HydrophobicContact CB-CB 4.16Å; H117-K152 PolarHBondContact N-O 3.32Å; H117-K152 PolarHBondContact O-N 2.82Å; H117-L154 WeakPolarHBondContact CE1-CD1 3.48Å
118	L	98.7	Very high	92.7	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.5	172.3	-53.2	-179.6	0	0	0	109.2	L116 K128 M129 I131 L139 F144 V148 V151 V194	L116-L118 HydrophobicContact CD2-CD2 3.69Å; L116-L118 HydrophobicContact CD2-CG 4.36Å; L116-L118 HydrophobicContact CG-CD2 3.95Å; L118-K128 CarbonylContact O-C 3.55Å; L118-K128 WeakPolarHBondContact O-CA 3.44Å; L118-M129 HydrophobicContact CB-CB 4.41Å; L118-M129 PolarHBondContact N-O 2.99Å; L118-M129 PolarHBondContact O-N 2.88Å; L118-I131 HydrophobicContact CD1-CD1 3.99Å; L118-I131 HydrophobicContact CG-CD1 4.47Å; L118-L139 HydrophobicContact CD1-CD1 3.91Å; L118-L139 HydrophobicContact CD1-CD2 3.8Å; L118-F144 HydrophobicContact CB-CE1 4.45Å; L118-F144 HydrophobicContact CB-CZ 4.41Å; L118-V148 HydrophobicContact CB-CG1 4.22Å; L118-V148 HydrophobicContact CB-CG2 4.33Å; L118-V148 HydrophobicContact CD1-CG2 4.28Å; L118-V148 HydrophobicContact CD2-CG1 4.12Å; L118-V151 HydrophobicContact CD2-CG1 4.1Å; L118-V151 HydrophobicContact CD2-CG2 3.83Å; L118-V194 HydrophobicContact CD1-CG1 4.48Å
119	Y	98.7	Very high	93.2	Very high	25 Å²	25	51 Å²	51	10%	0.098	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.9	179.9	-64.4	-95	0	0	0	111.1	H117 S121 F124 R127 K128 A149 S150 K152	H117-Y119 HydrophobicContact CB-CD2 4.32Å; H117-Y119 HydrophobicContact CB-CE2 3.51Å; Y119-S121 VanDerWaalsContact C-N 3.33Å; Y119-S121 PolarHBondContact O-N 3.1Å; Y119-F124 HydrophobicContact CD1-CB 4.17Å; Y119-F124 WeakPolarHBondContact CD1-O 3.24Å; Y119-F124 HydrophobicContact CD2-CB 4.18Å; Y119-F124 HydrophobicContact CD2-CD1 4Å; Y119-F124 HydrophobicContact CE1-CB 3.97Å; Y119-F124 VanDerWaalsContact CE1-O 3.31Å; Y119-F124 WeakPolarHBondContact CE1-O 3.38Å; Y119-F124 HydrophobicContact CE2-CB 4.01Å; Y119-F124 HydrophobicContact CE2-CD1 4.03Å; Y119-F124 HydrophobicContact CE2-CG 4.43Å; Y119-F124 HydrophobicContact CG-CB 4.25Å; Y119-R127 WeakPolarHBondContact CA-O 3.46Å; Y119-K128 HydrophobicContact CD1-CB 4.05Å; Y119-K128 HydrophobicContact CD1-CG 4.11Å; Y119-K128 HydrophobicContact CE1-CB 3.96Å; Y119-K128 HydrophobicContact CE1-CD 3.84Å; Y119-K128 HydrophobicContact CE1-CG 3.7Å; Y119-A149 PolarHBondContact O-N 2.6Å; Y119-S150 WeakPolarHBondContact CB-O 3.38Å; Y119-S150 VanDerWaalsContact CB-OG 3.3Å; Y119-S150 WeakPolarHBondContact CB-OG 3.5Å; Y119-S150 PolarHBondContact N-O 3.39Å; Y119-S150 PolarHBondContact O-N 2.89Å; Y119-K152 HydrophobicContact CE2-CD 4.32Å; Y119-K152 HydrophobicContact CE2-CG 4.03Å
120	E	98.1	Very high	93.8	Very high	52 Å²	52	54.5 Å²	54.5	24%	0.243	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-32.6	-179.6	178.3	-177.7	-173.3	0	0	113.2	R127 F144 R147 A149	E120-R127 HydrophobicContact CB-CB 4.05Å; E120-R127 PolarHBondContact N-O 3.31Å; E120-R127 WeakPolarHBondContact OE2-CB 3.28Å; E120-R127 PolarHBondContact OE2-N 2.86Å; E120-F144 HydrophobicContact CB-CZ 4.49Å; E120-R147 PolarHBondContact O-NE 2.93Å; E120-A149 WeakPolarHBondContact O-CB 3.49Å
121	S	98.4	Very high	95.1	Very high	38 Å²	38	49.1 Å²	49.1	27%	0.266	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	157.4	-177.5	-67.8	0	0	0	0	112.2	Y119 T125 S150	Y119-S121 VanDerWaalsContact C-N 3.33Å; Y119-S121 PolarHBondContact O-N 3.1Å; S121-T125 WeakPolarHBondContact CB-O 3.41Å; S121-T125 WeakPolarHBondContact CB-OG1 3.44Å; S121-T125 PolarHBondContact N-O 3.26Å; S121-T125 VanDerWaalsContact N-O 3.16Å; S121-S150 PolarHBondContact O-OG 3.22Å
122	P	98.5	Very high	96.5	Very high	49 Å²	49	50 Å²	50	32%	0.318	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-57.7	160.3	173.1	-24.8	35.5	0	0	0	112.9	F124 T125 A149 K179 W181	P122-F124 VanDerWaalsContact C-N 3.27Å; P122-F124 PolarHBondContact O-N 2.93Å; P122-T125 PolarHBondContact O-OG1 2.98Å; P122-A149 HydrophobicContact CG-CB 4.08Å; P122-K179 CarbonylContact C-O 3.6Å; P122-K179 WeakPolarHBondContact CA-O 3.37Å; P122-W181 HydrophobicContact CG-CE3 4.41Å; P122-W181 HydrophobicContact CG-CZ3 3.76Å
123	G	98.1	Very high	97.3	Very high	41 Å²	41	48.2 Å²	48.2	42%	0.423	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	66.5	24.7	175.1	0	0	0	0	0	114.7	K179	G123-K179 PolarHBondContact N-O 3.16Å
124	F	98.4	Very high	97.5	Very high	40 Å²	40	47.2 Å²	47.2	18%	0.175	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	65.7	39.7	177.8	-38.3	-59.8	0	0	0	114	Y119 P122 S150 K152 D177 F178 K179	Y119-F124 HydrophobicContact CD1-CB 4.17Å; Y119-F124 WeakPolarHBondContact CD1-O 3.24Å; Y119-F124 HydrophobicContact CD2-CB 4.18Å; Y119-F124 HydrophobicContact CD2-CD1 4Å; Y119-F124 HydrophobicContact CE1-CB 3.97Å; Y119-F124 VanDerWaalsContact CE1-O 3.31Å; Y119-F124 WeakPolarHBondContact CE1-O 3.38Å; Y119-F124 HydrophobicContact CE2-CB 4.01Å; Y119-F124 HydrophobicContact CE2-CD1 4.03Å; Y119-F124 HydrophobicContact CE2-CG 4.43Å; Y119-F124 HydrophobicContact CG-CB 4.25Å; P122-F124 VanDerWaalsContact C-N 3.27Å; P122-F124 PolarHBondContact O-N 2.93Å; F124-S150 VanDerWaalsContact CA-OG 3.29Å; F124-S150 WeakPolarHBondContact CA-OG 3.23Å; F124-S150 PolarHBondContact N-OG 2.87Å; F124-K152 HydrophobicContact CD1-CD 4.18Å; F124-K152 VanDerWaalsContact CD1-CE 3.47Å; F124-K152 HydrophobicContact CD1-CG 3.64Å; F124-K152 HydrophobicContact CE1-CD 4.33Å; F124-K152 HydrophobicContact CE1-CG 3.56Å; F124-K152 HydrophobicContact CG-CD 4.35Å; F124-K152 HydrophobicContact CG-CG 4.3Å; F124-K152 HydrophobicContact CZ-CG 4.14Å; F124-D177 HydrophobicContact CE2-CB 4.48Å; F124-D177 HydrophobicContact CZ-CB 3.78Å; F124-F178 WeakPolarHBondContact CE1-O 3.34Å; F124-K179 HydrophobicContact CE1-CG 4.33Å; F124-K179 HydrophobicContact CE2-CD 4.4Å; F124-K179 HydrophobicContact CE2-CG 3.6Å; F124-K179 HydrophobicContact CZ-CB 4.33Å; F124-K179 HydrophobicContact CZ-CG 3.43Å; F124-K179 VanDerWaalsContact CZ-CG 3.43Å
125	T	98.3	Very high	97.6	Very high	79 Å²	79	47.9 Å²	47.9	49%	0.485	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	171.4	-177.5	63	0	0	0	0	112.1	S121 P122	S121-T125 WeakPolarHBondContact CB-O 3.41Å; S121-T125 WeakPolarHBondContact CB-OG1 3.44Å; S121-T125 PolarHBondContact N-O 3.26Å; S121-T125 VanDerWaalsContact N-O 3.16Å; P122-T125 PolarHBondContact O-OG1 2.98Å
126	G	97.3	Very high	97.6	Very high	55 Å²	55	45.3 Å²	45.3	57%	0.567	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	77.8	-157.3	-178.4	0	0	0	0	0	113.1	K128	G126-K128 PolarHBondContact O-N 3.27Å
127	R	97.5	Very high	97.6	Very high	103 Å²	103	48.4 Å²	48.4	39%	0.389	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	136.4	177.1	-167.7	-173.2	-51.7	-172.5	8.6	110.3	Y119 E120 G143 F144	Y119-R127 WeakPolarHBondContact CA-O 3.46Å; E120-R127 HydrophobicContact CB-CB 4.05Å; E120-R127 PolarHBondContact N-O 3.31Å; E120-R127 WeakPolarHBondContact OE2-CB 3.28Å; E120-R127 PolarHBondContact OE2-N 2.86Å; R127-G143 PolarHBondContact NH1-O 2.96Å; R127-F144 HydrophobicContact CB-CE2 4.15Å; R127-F144 HydrophobicContact CG-CD2 4.1Å; R127-F144 HydrophobicContact CG-CE2 3.81Å
128	K	97.7	Very high	97.5	Very high	95 Å²	95	49.3 Å²	49.3	41%	0.413	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.8	178.6	-178.7	-170.2	172.5	-162.1	0	110.5	H117 L118 Y119 G126 E130	H117-K128 PolarHBondContact CE1-NZ 3.47Å; H117-K128 WeakPolarHBondContact ND1-CE 3.33Å; H117-K128 PolarHBondContact NE2-NZ 2.78Å; L118-K128 CarbonylContact O-C 3.55Å; L118-K128 WeakPolarHBondContact O-CA 3.44Å; Y119-K128 HydrophobicContact CD1-CB 4.05Å; Y119-K128 HydrophobicContact CD1-CG 4.11Å; Y119-K128 HydrophobicContact CE1-CB 3.96Å; Y119-K128 HydrophobicContact CE1-CD 3.84Å; Y119-K128 HydrophobicContact CE1-CG 3.7Å; G126-K128 PolarHBondContact O-N 3.27Å; K128-E130 IonicContact NZ-OE2 2.66Å
129	M	98.1	Very high	97.5	Very high	18 Å²	18	49.3 Å²	49.3	9%	0.089	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.1	164.7	-179.4	173	-178.9	0	0	109.5	H117 L118 I131 V136 L139 H142 F144	H117-M129 CarbonylContact C-O 3.6Å; H117-M129 WeakPolarHBondContact CA-O 3.28Å; L118-M129 HydrophobicContact CB-CB 4.41Å; L118-M129 PolarHBondContact N-O 2.99Å; L118-M129 PolarHBondContact O-N 2.88Å; M129-I131 HydrophobicContact CE-CD1 4.11Å; M129-I131 HydrophobicContact CE-CG1 3.95Å; M129-I131 HydrophobicContact CG-CG1 4.17Å; M129-I131 HydrophobicContact SD-CD1 4.48Å; M129-V136 HydrophobicContact CE-CG1 4.15Å; M129-V136 HydrophobicContact CE-CG2 4.1Å; M129-L139 HydrophobicContact CE-CD2 4.38Å; M129-L139 HydrophobicContact SD-CD2 3.99Å; M129-H142 HydrophobicContact CE-CB 3.35Å; M129-H142 HydrophobicContact SD-CB 4.22Å; M129-F144 HydrophobicContact CB-CD2 3.53Å; M129-F144 HydrophobicContact CB-CE2 3.73Å; M129-F144 HydrophobicContact CB-CG 4.04Å; M129-F144 HydrophobicContact CB-CZ 4.42Å; M129-F144 HydrophobicContact CG-CD2 4.48Å; M129-F144 HydrophobicContact SD-CB 3.72Å; M129-F144 HydrophobicContact SD-CD2 4.37Å; M129-F144 HydrophobicContact SD-CG 4Å
130	E	98.3	Very high	97.4	Very high	93 Å²	93	54 Å²	54	44%	0.435	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.7	173.4	173.1	167.3	143.8	0	0	109.2	K115 H117 K128 V132	K115-E130 VanDerWaalsContact CE-CD 3.44Å; K115-E130 VanDerWaalsContact CE-OE1 3.24Å; K115-E130 WeakPolarHBondContact CE-OE1 3.34Å; K115-E130 WeakPolarHBondContact CE-OE2 3.49Å; K115-E130 IonicContact NZ-OE1 3.79Å; K115-E130 PolarHBondContact NZ-OE1 3.11Å; K115-E130 IonicContact NZ-OE2 3.56Å; K115-E130 PolarHBondContact NZ-OE2 3.05Å; H117-E130 IonicContact CD2-OE2 2.73Å; H117-E130 IonicContact CE1-OE2 3.52Å; H117-E130 IonicContact NE2-OE2 3.56Å; H117-E130 PolarHBondContact NE2-OE2 2.88Å; K128-E130 IonicContact NZ-OE2 2.66Å; E130-V132 HydrophobicContact CG-CG2 3.9Å
131	I	97.8	Very high	97.2	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123	178.2	-51.7	172.1	0	0	0	107	K115 L116 L118 M129 D134 V136 W158 V194	K115-I131 WeakPolarHBondContact CA-O 3.28Å; L116-I131 HydrophobicContact CB-CB 4.47Å; L116-I131 PolarHBondContact N-O 2.85Å; L116-I131 PolarHBondContact O-N 2.85Å; L118-I131 HydrophobicContact CD1-CD1 3.99Å; L118-I131 HydrophobicContact CG-CD1 4.47Å; M129-I131 HydrophobicContact CE-CD1 4.11Å; M129-I131 HydrophobicContact CE-CG1 3.95Å; M129-I131 HydrophobicContact CG-CG1 4.17Å; M129-I131 HydrophobicContact SD-CD1 4.48Å; I131-D134 HydrophobicContact CG2-CB 4.4Å; I131-D134 WeakPolarHBondContact CG2-O 3.13Å; I131-V136 HydrophobicContact CD1-CB 4.37Å; I131-V136 HydrophobicContact CD1-CG2 3.77Å; I131-V136 HydrophobicContact CG1-CG2 4.13Å; I131-V136 HydrophobicContact CG2-CG2 3.91Å; I131-W158 HydrophobicContact CB-CH2 4.14Å; I131-W158 HydrophobicContact CB-CZ3 4.47Å; I131-W158 HydrophobicContact CG2-CH2 3.67Å; I131-W158 HydrophobicContact CG2-CZ3 3.85Å; I131-V194 HydrophobicContact CD1-CG1 3.35Å
132	V	97	Very high	96.9	Very high	69 Å²	69	58 Å²	58	42%	0.418	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.7	-179.3	-177.6	0	0	0	0	107.8	H114 K115 E130 D134	H114-V132 WeakPolarHBondContact O-CA 3.26Å; K115-V132 HydrophobicContact CD-CG2 4.27Å; K115-V132 HydrophobicContact CG-CG2 4.14Å; E130-V132 HydrophobicContact CG-CG2 3.9Å; V132-D134 PolarHBondContact O-N 3.46Å
133	D	94.1	Very high	96.6	Very high	66 Å²	66	58.2 Å²	58.2	35%	0.353	34%	0.344	S	S	.	.	S	Bend	trans	45.9	35.8	174.8	-66.6	-49.8	0	0	0	115.4	H114 R196	H114-D133 PolarHBondContact N-OD1 2.87Å; H114-D133 IonicContact ND1-OD1 2.78Å; H114-D133 PolarHBondContact O-N 2.9Å; D133-R196 VanDerWaalsContact CA-NH1 3.33Å; D133-R196 PolarHBondContact O-NH1 2.66Å; D133-R196 PolarHBondContact O-NH2 3.45Å; D133-R196 IonicContact OD1-NH1 3.45Å
134	D	94.7	Very high	96.4	Very high	81 Å²	81	56.6 Å²	56.6	43%	0.433	33%	0.325	S	S	.	.			trans	-138.6	156.4	177.8	-159.1	10.8	0	0	0	112.2	I131 V132 W158	I131-D134 HydrophobicContact CG2-CB 4.4Å; I131-D134 WeakPolarHBondContact CG2-O 3.13Å; V132-D134 PolarHBondContact O-N 3.46Å; D134-W158 WeakPolarHBondContact O-CZ3 3.44Å
135	D	95.6	Very high	96.3	Very high	23 Å²	23	58 Å²	58	12%	0.123	33%	0.332	C	S	.	.			trans	-106.6	135.1	171	-52.5	-37.1	0	0	0	109.6	P137 Y166 R195 R196 R198 H203	D135-P137 VanDerWaalsContact O-CD 3.28Å; D135-P137 WeakPolarHBondContact O-CD 3.36Å; D135-Y166 WeakPolarHBondContact CB-OH 3.49Å; D135-R195 HydrophobicContact CB-CB 3.96Å; D135-R196 WeakPolarHBondContact OD1-CB 3.41Å; D135-R196 WeakPolarHBondContact OD1-CG 3.44Å; D135-R196 IonicContact OD1-CZ 3.5Å; D135-R196 PolarHBondContact OD1-N 2.96Å; D135-R196 IonicContact OD1-NE 2.72Å; D135-R196 PolarHBondContact OD1-NE 3.08Å; D135-R196 IonicContact OD1-NH2 3.54Å; D135-R198 IonicContact OD1-NH2 3.62Å; D135-R198 PolarHBondContact OD1-NH2 3.3Å; D135-R198 IonicContact OD2-CZ 3.56Å; D135-R198 IonicContact OD2-NH1 3.38Å; D135-R198 IonicContact OD2-NH2 2.58Å; D135-R198 PolarHBondContact OD2-NH2 3.32Å; D135-H203 IonicContact OD2-CE1 3.84Å; D135-H203 PolarHBondContact OD2-CE1 2.86Å; D135-H203 IonicContact OD2-NE2 3.28Å
136	V	97.7	Very high	96.1	Very high	2 Å²	2	57 Å²	57	1%	0.012	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-113.4	97.4	-174.6	-179.1	0	0	0	0	109.5	M129 I131 S138 L139 S193 V194	M129-V136 HydrophobicContact CE-CG1 4.15Å; M129-V136 HydrophobicContact CE-CG2 4.1Å; I131-V136 HydrophobicContact CD1-CB 4.37Å; I131-V136 HydrophobicContact CD1-CG2 3.77Å; I131-V136 HydrophobicContact CG1-CG2 4.13Å; I131-V136 HydrophobicContact CG2-CG2 3.91Å; V136-S138 WeakPolarHBondContact CG1-O 3.4Å; V136-S138 PolarHBondContact O-N 2.66Å; V136-L139 HydrophobicContact CB-CD2 4.39Å; V136-L139 HydrophobicContact CG1-CD2 3.8Å; V136-S193 CarbonylContact O-C 3.6Å; V136-S193 VanDerWaalsContact O-CA 3.29Å; V136-S193 WeakPolarHBondContact O-CA 3.43Å; V136-S193 VanDerWaalsContact O-CB 3.26Å; V136-S193 WeakPolarHBondContact O-CB 3.42Å; V136-V194 CarbonylContact C-O 3.51Å; V136-V194 HydrophobicContact CB-CG1 4Å; V136-V194 HydrophobicContact CG2-CG1 4.49Å; V136-V194 PolarHBondContact N-O 3.34Å; V136-V194 PolarHBondContact O-N 2.78Å
137	P	97.2	Very high	96.2	Very high	64 Å²	64	59.3 Å²	59.3	42%	0.416	32%	0.315	S	S	.	.	S	Bend	trans	-71.1	-13.7	178.9	29.2	-35.2	0	0	0	113	D135 P164 G165 Y166 S193	D135-P137 VanDerWaalsContact O-CD 3.28Å; D135-P137 WeakPolarHBondContact O-CD 3.36Å; P137-P164 CarbonylContact O-C 3.57Å; P137-P164 WeakPolarHBondContact O-CA 3.25Å; P137-G165 PolarHBondContact O-N 3.45Å; P137-Y166 HydrophobicContact CB-CE1 4.35Å; P137-Y166 HydrophobicContact CB-CE2 4.27Å; P137-S193 VanDerWaalsContact O-CB 3.25Å; P137-S193 WeakPolarHBondContact O-CB 3.33Å
138	S	97.8	Very high	96.2	Very high	36 Å²	36	54.4 Å²	54.4	25%	0.252	30%	0.297	S	S	.	.			trans	-153.2	115.3	173.9	-177.9	0	0	0	0	110.8	V136 W140 G141 Q192	V136-S138 WeakPolarHBondContact CG1-O 3.4Å; V136-S138 PolarHBondContact O-N 2.66Å; S138-W140 PolarHBondContact O-N 2.73Å; S138-G141 PolarHBondContact O-N 2.89Å; S138-G141 VanDerWaalsContact O-N 3.07Å; S138-Q192 CarbonylContact C-O 3.46Å; S138-Q192 WeakPolarHBondContact CA-O 3.39Å
139	L	97.6	Very high	96.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-60.3	-33.3	175	-66.6	-166.2	0	0	0	111.7	L118 M129 V136 G141 H142 F144 V148 I191 Q192 V194	L118-L139 HydrophobicContact CD1-CD1 3.91Å; L118-L139 HydrophobicContact CD1-CD2 3.8Å; M129-L139 HydrophobicContact CE-CD2 4.38Å; M129-L139 HydrophobicContact SD-CD2 3.99Å; V136-L139 HydrophobicContact CB-CD2 4.39Å; V136-L139 HydrophobicContact CG1-CD2 3.8Å; L139-G141 PolarHBondContact O-N 2.98Å; L139-H142 PolarHBondContact O-N 2.88Å; L139-H142 VanDerWaalsContact O-N 3.08Å; L139-F144 HydrophobicContact CB-CB 4.18Å; L139-F144 HydrophobicContact CB-CD1 4.46Å; L139-F144 HydrophobicContact CD1-CD1 3.95Å; L139-F144 WeakPolarHBondContact O-CB 3.39Å; L139-F144 PolarHBondContact O-N 2.89Å; L139-V148 HydrophobicContact CD1-CG2 3.85Å; L139-I191 HydrophobicContact CD1-CG2 4.3Å; L139-I191 VanDerWaalsContact CD1-O 3.22Å; L139-I191 WeakPolarHBondContact CD1-O 3.49Å; L139-Q192 PolarHBondContact N-O 2.9Å; L139-V194 HydrophobicContact CD2-CG1 4.22Å
140	W	96.3	Very high	96.3	Very high	124 Å²	124	49 Å²	49	47%	0.47	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-58.8	-34.5	174.6	-60.7	100.1	0	0	0	112.9	S138 H142 G143 F144 Q145 D146	S138-W140 PolarHBondContact O-N 2.73Å; W140-H142 PolarHBondContact O-N 2.84Å; W140-H142 VanDerWaalsContact O-N 3.13Å; W140-G143 PolarHBondContact O-N 3.04Å; W140-G143 VanDerWaalsContact O-N 3.09Å; W140-F144 WeakPolarHBondContact CA-O 3.33Å; W140-Q145 HydrophobicContact CH2-CB 4.27Å; W140-Q145 HydrophobicContact CH2-CG 4.36Å; W140-Q145 HydrophobicContact CZ3-CB 4.33Å; W140-Q145 HydrophobicContact CZ3-CG 4.05Å; W140-D146 HydrophobicContact CZ2-CB 3.67Å
141	G	94.1	Very high	96.3	Very high	66 Å²	66	44.6 Å²	44.6	68%	0.68	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-63.4	-17	178	0	0	0	0	0	113.8	S138 L139	S138-G141 PolarHBondContact O-N 2.89Å; S138-G141 VanDerWaalsContact O-N 3.07Å; L139-G141 PolarHBondContact O-N 2.98Å
142	H	92.6	Very high	96.4	Very high	107 Å²	107	46.7 Å²	46.7	50%	0.495	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-111.2	17.5	178.4	-62.8	-101.8	0	0	0	112.6	M129 L139 W140 F144	M129-H142 HydrophobicContact CE-CB 3.35Å; M129-H142 HydrophobicContact SD-CB 4.22Å; L139-H142 PolarHBondContact O-N 2.88Å; L139-H142 VanDerWaalsContact O-N 3.08Å; W140-H142 PolarHBondContact O-N 2.84Å; W140-H142 VanDerWaalsContact O-N 3.13Å; H142-F144 PolarHBondContact O-N 3.13Å
143	G	92.3	Very high	96.4	Very high	54 Å²	54	43.4 Å²	43.4	56%	0.557	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.6	10.1	179.3	0	0	0	0	0	114.7	R127 W140	R127-G143 PolarHBondContact NH1-O 2.96Å; W140-G143 PolarHBondContact O-N 3.04Å; W140-G143 VanDerWaalsContact O-N 3.09Å
144	F	95.1	Very high	96.5	Very high	7 Å²	7	43 Å²	43	3%	0.031	24%	0.239	C	C	.	.			trans	-87.2	170.8	170	-149.5	-102.8	0	0	0	110.3	L118 E120 R127 M129 L139 W140 H142 V148	L118-F144 HydrophobicContact CB-CE1 4.45Å; L118-F144 HydrophobicContact CB-CZ 4.41Å; E120-F144 HydrophobicContact CB-CZ 4.49Å; R127-F144 HydrophobicContact CB-CE2 4.15Å; R127-F144 HydrophobicContact CG-CD2 4.1Å; R127-F144 HydrophobicContact CG-CE2 3.81Å; M129-F144 HydrophobicContact CB-CD2 3.53Å; M129-F144 HydrophobicContact CB-CE2 3.73Å; M129-F144 HydrophobicContact CB-CG 4.04Å; M129-F144 HydrophobicContact CB-CZ 4.42Å; M129-F144 HydrophobicContact CG-CD2 4.48Å; M129-F144 HydrophobicContact SD-CB 3.72Å; M129-F144 HydrophobicContact SD-CD2 4.37Å; M129-F144 HydrophobicContact SD-CG 4Å; L139-F144 HydrophobicContact CB-CB 4.18Å; L139-F144 HydrophobicContact CB-CD1 4.46Å; L139-F144 HydrophobicContact CD1-CD1 3.95Å; L139-F144 WeakPolarHBondContact O-CB 3.39Å; L139-F144 PolarHBondContact O-N 2.89Å; W140-F144 WeakPolarHBondContact CA-O 3.33Å; H142-F144 PolarHBondContact O-N 3.13Å; F144-V148 HydrophobicContact CE1-CG2 3.89Å
145	Q	94.7	Very high	96.5	Very high	70 Å²	70	43 Å²	43	33%	0.327	24%	0.235	S	C	.	.			trans	-108.6	-173.2	178.8	-66.7	-175.7	-2.4	0	0	110.4	W140 R147	W140-Q145 HydrophobicContact CH2-CB 4.27Å; W140-Q145 HydrophobicContact CH2-CG 4.36Å; W140-Q145 HydrophobicContact CZ3-CB 4.33Å; W140-Q145 HydrophobicContact CZ3-CG 4.05Å; Q145-R147 VanDerWaalsContact C-N 3.31Å
146	D	95.4	Very high	96.4	Very high	58 Å²	58	42.1 Å²	42.1	31%	0.31	23%	0.232	S	C	.	.	S	Bend	trans	-82.8	-9.5	176.7	64.8	-21.1	0	0	0	113.4	W140 L190 I191 Q192	W140-D146 HydrophobicContact CZ2-CB 3.67Å; D146-L190 HydrophobicContact CB-CD1 3.6Å; D146-L190 WeakPolarHBondContact O-CA 3.25Å; D146-L190 WeakPolarHBondContact O-CD1 3.4Å; D146-I191 CarbonylContact C-O 3.55Å; D146-I191 PolarHBondContact O-N 3.32Å; D146-Q192 HydrophobicContact CB-CG 3.44Å; D146-Q192 VanDerWaalsContact CB-CG 3.44Å
147	R	98.1	Very high	96.2	Very high	103 Å²	103	42.4 Å²	42.4	39%	0.389	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-89.3	113.4	179.5	-169.9	-180	178.9	87.4	0.8	112.5	E120 Q145 P189	E120-R147 PolarHBondContact O-NE 2.93Å; Q145-R147 VanDerWaalsContact C-N 3.31Å; R147-P189 CarbonylContact C-O 3.47Å; R147-P189 VanDerWaalsContact CA-O 3.27Å; R147-P189 WeakPolarHBondContact CA-O 3.26Å; R147-P189 HydrophobicContact CG-CB 4.34Å; R147-P189 HydrophobicContact CG-CG 4.22Å
148	V	98.6	Very high	96.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.			trans	-125.7	111.4	170.7	178.6	0	0	0	0	109	L118 L139 F144 V151 P189 I191	L118-V148 HydrophobicContact CB-CG1 4.22Å; L118-V148 HydrophobicContact CB-CG2 4.33Å; L118-V148 HydrophobicContact CD1-CG2 4.28Å; L118-V148 HydrophobicContact CD2-CG1 4.12Å; L139-V148 HydrophobicContact CD1-CG2 3.85Å; F144-V148 HydrophobicContact CE1-CG2 3.89Å; V148-V151 HydrophobicContact CG1-CG2 3.59Å; V148-P189 PolarHBondContact N-O 2.86Å; V148-P189 CarbonylContact O-C 3.58Å; V148-P189 VanDerWaalsContact O-CA 3.28Å; V148-P189 WeakPolarHBondContact O-CA 3.29Å; V148-P189 WeakPolarHBondContact O-CB 3.44Å; V148-I191 HydrophobicContact CB-CB 4Å; V148-I191 HydrophobicContact CB-CD1 4.11Å; V148-I191 HydrophobicContact CB-CG1 4.24Å; V148-I191 HydrophobicContact CG1-CD1 4.09Å; V148-I191 HydrophobicContact CG2-CB 3.84Å; V148-I191 HydrophobicContact CG2-CG2 4.42Å
149	A	98.6	Very high	96.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.			trans	-111.9	-15.1	-173.3	0	0	0	0	0	114.6	Y119 E120 P122 H180 W181 P189	Y119-A149 PolarHBondContact O-N 2.6Å; E120-A149 WeakPolarHBondContact O-CB 3.49Å; P122-A149 HydrophobicContact CG-CB 4.08Å; A149-H180 CarbonylContact O-C 3.52Å; A149-H180 WeakPolarHBondContact O-CA 3.22Å; A149-W181 HydrophobicContact CB-CE3 3.64Å; A149-W181 HydrophobicContact CB-CZ3 3.79Å; A149-W181 PolarHBondContact O-N 2.89Å; A149-P189 HydrophobicContact CB-CB 4.02Å
150	S	98.8	Very high	96.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	154	165.5	58.3	0	0	0	0	111.2	Y119 S121 F124 F178 K179	Y119-S150 WeakPolarHBondContact CB-O 3.38Å; Y119-S150 VanDerWaalsContact CB-OG 3.3Å; Y119-S150 WeakPolarHBondContact CB-OG 3.5Å; Y119-S150 PolarHBondContact N-O 3.39Å; Y119-S150 PolarHBondContact O-N 2.89Å; S121-S150 PolarHBondContact O-OG 3.22Å; F124-S150 VanDerWaalsContact CA-OG 3.29Å; F124-S150 WeakPolarHBondContact CA-OG 3.23Å; F124-S150 PolarHBondContact N-OG 2.87Å; S150-F178 CarbonylContact C-O 3.57Å; S150-F178 VanDerWaalsContact CA-O 3.23Å; S150-F178 WeakPolarHBondContact CA-O 3.45Å; S150-F178 WeakPolarHBondContact CB-O 3.49Å; S150-K179 WeakPolarHBondContact CB-O 3.47Å
151	V	98.8	Very high	96.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139.6	-172.8	177.5	0	0	0	0	110.2	L116 H117 L118 V148 F173 F178 W184	L116-V151 HydrophobicContact CD1-CG1 3.46Å; L116-V151 VanDerWaalsContact CD1-CG1 3.46Å; L116-V151 HydrophobicContact CG-CG1 4.2Å; H117-V151 CarbonylContact O-C 3.59Å; H117-V151 WeakPolarHBondContact O-CA 3.46Å; L118-V151 HydrophobicContact CD2-CG1 4.1Å; L118-V151 HydrophobicContact CD2-CG2 3.83Å; V148-V151 HydrophobicContact CG1-CG2 3.59Å; V151-F173 HydrophobicContact CB-CD1 4.2Å; V151-F173 HydrophobicContact CB-CE1 4.01Å; V151-F173 HydrophobicContact CG1-CD1 3.91Å; V151-F173 HydrophobicContact CG1-CE1 4.13Å; V151-F173 HydrophobicContact CG1-CG 4.18Å; V151-F173 HydrophobicContact CG2-CD1 4.48Å; V151-F173 HydrophobicContact CG2-CE1 3.87Å; V151-F173 HydrophobicContact CG2-CZ 3.99Å; V151-F178 HydrophobicContact CB-CB 4.29Å; V151-F178 HydrophobicContact CB-CD2 4.4Å; V151-F178 PolarHBondContact N-O 2.84Å; V151-F178 PolarHBondContact O-N 3.26Å; V151-W184 HydrophobicContact CB-CZ3 4.41Å; V151-W184 HydrophobicContact CG2-CH2 3.94Å; V151-W184 HydrophobicContact CG2-CZ2 4.45Å; V151-W184 HydrophobicContact CG2-CZ3 4.13Å
152	K	98.6	Very high	96.3	Very high	50 Å²	50	30.6 Å²	30.6	22%	0.217	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	107.3	164.5	-58.1	-170.4	174.5	-153.5	0	110	L116 H117 Y119 F124 L154 D177	L116-K152 WeakPolarHBondContact CA-O 3.34Å; H117-K152 HydrophobicContact CB-CB 4.16Å; H117-K152 PolarHBondContact N-O 3.32Å; H117-K152 PolarHBondContact O-N 2.82Å; Y119-K152 HydrophobicContact CE2-CD 4.32Å; Y119-K152 HydrophobicContact CE2-CG 4.03Å; F124-K152 HydrophobicContact CD1-CD 4.18Å; F124-K152 VanDerWaalsContact CD1-CE 3.47Å; F124-K152 HydrophobicContact CD1-CG 3.64Å; F124-K152 HydrophobicContact CE1-CD 4.33Å; F124-K152 HydrophobicContact CE1-CG 3.56Å; F124-K152 HydrophobicContact CG-CD 4.35Å; F124-K152 HydrophobicContact CG-CG 4.3Å; F124-K152 HydrophobicContact CZ-CG 4.14Å; K152-L154 HydrophobicContact CB-CD2 3.96Å; K152-L154 HydrophobicContact CB-CG 4.29Å; K152-L154 HydrophobicContact CD-CD2 4.49Å; K152-L154 PolarHBondContact O-N 3.45Å; K152-D177 WeakPolarHBondContact CG-OD1 3.33Å; K152-D177 IonicContact NZ-OD2 2.92Å
153	A	97.2	Very high	96.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	89.4	170.3	0	0	0	0	0	108.3	L116 F173 E174 R175 G176 F178	L116-A153 HydrophobicContact CD1-CB 3.84Å; A153-F173 HydrophobicContact CB-CB 4.07Å; A153-E174 VanDerWaalsContact CB-O 3.26Å; A153-E174 WeakPolarHBondContact CB-O 3.43Å; A153-R175 WeakPolarHBondContact O-CA 3.19Å; A153-G176 PolarHBondContact N-O 3.26Å; A153-G176 PolarHBondContact O-N 2.86Å; A153-F178 HydrophobicContact CB-CE2 4.31Å
154	L	96.7	Very high	96.7	Very high	57 Å²	57	29.5 Å²	29.5	30%	0.298	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-39.8	-174.4	-61.5	-178.5	0	0	0	111.7	K115 H117 K152	K115-L154 HydrophobicContact CB-CB 4.22Å; K115-L154 HydrophobicContact CD-CD1 3.96Å; K115-L154 HydrophobicContact CG-CB 4.22Å; K115-L154 HydrophobicContact CG-CD1 4.02Å; K115-L154 PolarHBondContact O-N 3.33Å; H117-L154 WeakPolarHBondContact CE1-CD1 3.48Å; K152-L154 HydrophobicContact CB-CD2 3.96Å; K152-L154 HydrophobicContact CB-CG 4.29Å; K152-L154 HydrophobicContact CD-CD2 4.49Å; K152-L154 PolarHBondContact O-N 3.45Å
155	K	94.9	Very high	96.7	Very high	81 Å²	81	31.1 Å²	31.1	35%	0.352	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	148.7	178.6	-57.7	-178.2	176	178.8	0	110.9	E113 K115 W158	E113-K155 HydrophobicContact CB-CD 4.09Å; E113-K155 VanDerWaalsContact O-CB 3.25Å; E113-K155 WeakPolarHBondContact O-CB 3.43Å; E113-K155 IonicContact OE2-NZ 2.73Å; E113-K155 PolarHBondContact OE2-NZ 3.15Å; K115-K155 HydrophobicContact CB-CB 4.19Å; K115-K155 HydrophobicContact CB-CG 4.4Å; K115-K155 PolarHBondContact N-O 2.87Å; K115-K155 PolarHBondContact O-N 2.81Å; K115-K155 VanDerWaalsContact O-N 3.1Å; K155-W158 PolarHBondContact O-NE1 3.27Å
156	G	92.8	Very high	96.8	Very high	5 Å²	5	30.2 Å²	30.2	5%	0.052	15%	0.149	C	C	.	.	S	Bend	trans	68.2	176	-177.7	0	0	0	0	0	114.7	S111	S111-G156 PolarHBondContact OG-N 3.24Å
157	T	94.6	Very high	96.7	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.043	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.6	177	-56.6	0	0	0	0	109	L107 K108 I172 E174 V197	L107-T157 HydrophobicContact CD1-CG2 4.17Å; L107-T157 HydrophobicContact CD2-CG2 4Å; L107-T157 HydrophobicContact CG-CG2 4.33Å; K108-T157 PolarHBondContact O-OG1 2.97Å; T157-I172 HydrophobicContact CG2-CG2 3.98Å; T157-E174 HydrophobicContact CG2-CG 4.27Å; T157-V197 HydrophobicContact CG2-CB 4.17Å; T157-V197 HydrophobicContact CG2-CG2 3.96Å; T157-V197 PolarHBondContact O-N 3.07Å
158	W	96.1	Very high	96.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153.7	-173.8	-60.1	80.7	0	0	0	111.7	H114 L116 I131 D134 K155 I172 F173 V194 R195 R196	H114-W158 HydrophobicContact CB-CH2 4.03Å; H114-W158 HydrophobicContact CB-CZ2 3.46Å; H114-W158 VanDerWaalsContact CB-CZ2 3.46Å; L116-W158 HydrophobicContact CB-CD2 3.92Å; L116-W158 HydrophobicContact CB-CE3 4.37Å; L116-W158 HydrophobicContact CB-CG 4.39Å; L116-W158 HydrophobicContact CB-CH2 4.11Å; L116-W158 HydrophobicContact CB-CZ2 3.62Å; L116-W158 HydrophobicContact CB-CZ3 4.46Å; L116-W158 HydrophobicContact CD1-CD2 4.47Å; L116-W158 HydrophobicContact CD1-CG 4.08Å; L116-W158 HydrophobicContact CD2-CB 4.22Å; L116-W158 HydrophobicContact CD2-CD2 3.86Å; L116-W158 HydrophobicContact CD2-CE3 3.97Å; L116-W158 HydrophobicContact CD2-CG 3.99Å; L116-W158 HydrophobicContact CG-CD2 4.32Å; L116-W158 HydrophobicContact CG-CG 4.41Å; I131-W158 HydrophobicContact CB-CH2 4.14Å; I131-W158 HydrophobicContact CB-CZ3 4.47Å; I131-W158 HydrophobicContact CG2-CH2 3.67Å; I131-W158 HydrophobicContact CG2-CZ3 3.85Å; D134-W158 WeakPolarHBondContact O-CZ3 3.44Å; K155-W158 PolarHBondContact O-NE1 3.27Å; W158-I172 WeakPolarHBondContact O-CA 3.16Å; W158-F173 HydrophobicContact CB-CB 4.28Å; W158-F173 PolarHBondContact N-O 3.01Å; W158-F173 PolarHBondContact O-N 2.74Å; W158-V194 HydrophobicContact CB-CG2 4.31Å; W158-V194 HydrophobicContact CE3-CG2 3.92Å; W158-R195 WeakPolarHBondContact CA-O 3.13Å; W158-R196 HydrophobicContact CD2-CG 4.17Å; W158-R196 HydrophobicContact CE3-CG 3.67Å; W158-R196 HydrophobicContact CH2-CG 3.61Å; W158-R196 HydrophobicContact CZ2-CG 4.1Å; W158-R196 HydrophobicContact CZ3-CG 3.38Å
159	V	96.5	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.3	168.7	-166.6	0	0	0	0	109.1	I80 Y161 Q170 Y171 I172 V194 R195 V197	I80-V159 HydrophobicContact CB-CG2 4.4Å; I80-V159 HydrophobicContact CG1-CG2 4.44Å; V159-Y161 HydrophobicContact CB-CE2 3.81Å; V159-Y161 HydrophobicContact CG1-CD2 4.32Å; V159-Y161 HydrophobicContact CG1-CE1 4.1Å; V159-Y161 HydrophobicContact CG1-CE2 3.67Å; V159-Y161 WeakPolarHBondContact O-CE2 3.37Å; V159-Q170 HydrophobicContact CG1-CB 3.87Å; V159-Y171 CarbonylContact C-O 3.57Å; V159-Y171 WeakPolarHBondContact CA-O 3.16Å; V159-I172 HydrophobicContact CG2-CG1 4.29Å; V159-V194 CarbonylContact O-C 3.59Å; V159-V194 VanDerWaalsContact O-CA 3.28Å; V159-V194 WeakPolarHBondContact O-CA 3.2Å; V159-V194 WeakPolarHBondContact O-CG2 3.44Å; V159-R195 PolarHBondContact N-O 3.18Å; V159-R195 PolarHBondContact O-N 3.28Å; V159-V197 HydrophobicContact CG2-CG2 3.34Å
160	G	97.7	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	148.4	167.8	0	0	0	0	0	111.3	Q170 Y171	G160-Q170 CarbonylContact O-C 3.52Å; G160-Q170 WeakPolarHBondContact O-CA 3.37Å; G160-Y171 PolarHBondContact N-O 2.97Å; G160-Y171 PolarHBondContact O-N 2.98Å
161	Y	97.5	Very high	96.2	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142	-178.2	-64.3	-92.1	0	0	0	111.2	N94 V159 Y163 Y166 R169 Q170 I191 Q192 S193 R195	N94-Y161 WeakPolarHBondContact ND2-CE1 3.16Å; V159-Y161 HydrophobicContact CB-CE2 3.81Å; V159-Y161 HydrophobicContact CG1-CD2 4.32Å; V159-Y161 HydrophobicContact CG1-CE1 4.1Å; V159-Y161 HydrophobicContact CG1-CE2 3.67Å; V159-Y161 WeakPolarHBondContact O-CE2 3.37Å; Y161-Y163 PolarHBondContact O-N 3.37Å; Y161-Y166 VanDerWaalsContact CD1-O 3.23Å; Y161-Y166 WeakPolarHBondContact CD1-O 3.3Å; Y161-Y166 AromaticContact CD2-CD1 3.82Å; Y161-Y166 HydrophobicContact CD2-CD1 3.82Å; Y161-Y166 HydrophobicContact CD2-CG 4.31Å; Y161-Y166 WeakPolarHBondContact CE1-O 3.31Å; Y161-Y166 AromaticContact CE2-CD1 3.87Å; Y161-Y166 HydrophobicContact CE2-CD1 3.87Å; Y161-Y166 HydrophobicContact CE2-CG 4.16Å; Y161-Y166 VanDerWaalsContact CG-CA 3.48Å; Y161-R169 WeakPolarHBondContact CA-O 3.4Å; Y161-Q170 HydrophobicContact CD1-CG 4.03Å; Y161-Q170 HydrophobicContact CE1-CB 4.31Å; Y161-Q170 HydrophobicContact CE1-CG 3.68Å; Y161-I191 WeakPolarHBondContact O-CA 3.22Å; Y161-Q192 PolarHBondContact O-N 3.3Å; Y161-S193 WeakPolarHBondContact CB-OG 3.28Å; Y161-S193 PolarHBondContact N-O 2.99Å; Y161-S193 PolarHBondContact O-N 2.91Å; Y161-R195 HydrophobicContact CE2-CG 4.03Å; Y161-R195 PolarHBondContact OH-NE 3.43Å; Y161-R195 PolarHBondContact OH-NH2 3.13Å
162	M	96.4	Very high	96	Very high	40 Å²	40	32.8 Å²	32.8	20%	0.197	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	-32.3	-179.7	-170	-178.6	177.7	0	0	113.5	R169 L190 Q192	M162-R169 PolarHBondContact N-O 3.37Å; M162-R169 VanDerWaalsContact N-O 3.16Å; M162-L190 HydrophobicContact CE-CD2 3.5Å; M162-L190 HydrophobicContact CG-CD2 3.57Å; M162-L190 HydrophobicContact CG-CG 3.88Å; M162-L190 HydrophobicContact SD-CD2 4.4Å; M162-Q192 WeakPolarHBondContact O-CG 3.12Å; M162-Q192 PolarHBondContact O-NE2 2.77Å
163	Y	97	Very high	95.9	Very high	103 Å²	103	30.4 Å²	30.4	40%	0.404	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	160.4	-176.6	-58.3	-57.5	0	0	0	112.8	Y161 R167 S193	Y161-Y163 PolarHBondContact O-N 3.37Å; Y163-R167 WeakPolarHBondContact CB-O 3.29Å; Y163-R167 PolarHBondContact N-O 3.48Å; Y163-S193 PolarHBondContact O-OG 3.13Å
164	P	96.9	Very high	95.8	Very high	35 Å²	35	33.6 Å²	33.6	23%	0.227	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	150.4	172.2	-21	32.8	0	0	0	112.2	P137 R167 Q192	P137-P164 CarbonylContact O-C 3.57Å; P137-P164 WeakPolarHBondContact O-CA 3.25Å; P164-R167 PolarHBondContact O-NE 2.74Å; P164-R167 PolarHBondContact O-NH2 2.95Å; P164-R167 VanDerWaalsContact O-NH2 3.16Å; P164-Q192 HydrophobicContact CG-CB 3.97Å
165	G	95.8	Very high	95.7	Very high	40 Å²	40	40.5 Å²	40.5	41%	0.412	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	29.7	179.6	0	0	0	0	0	113.8	P137 R167	P137-G165 PolarHBondContact O-N 3.45Å; G165-R167 PolarHBondContact O-N 2.92Å
166	Y	95.6	Very high	95.7	Very high	51 Å²	51	37.9 Å²	37.9	20%	0.2	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	38.1	176.8	-39.8	-55.8	0	0	0	114.1	N94 D135 P137 Y161 S193 R195	N94-Y166 PolarHBondContact ND2-O 3.2Å; D135-Y166 WeakPolarHBondContact CB-OH 3.49Å; P137-Y166 HydrophobicContact CB-CE1 4.35Å; P137-Y166 HydrophobicContact CB-CE2 4.27Å; Y161-Y166 VanDerWaalsContact CD1-O 3.23Å; Y161-Y166 WeakPolarHBondContact CD1-O 3.3Å; Y161-Y166 AromaticContact CD2-CD1 3.82Å; Y161-Y166 HydrophobicContact CD2-CD1 3.82Å; Y161-Y166 HydrophobicContact CD2-CG 4.31Å; Y161-Y166 WeakPolarHBondContact CE1-O 3.31Å; Y161-Y166 AromaticContact CE2-CD1 3.87Å; Y161-Y166 HydrophobicContact CE2-CD1 3.87Å; Y161-Y166 HydrophobicContact CE2-CG 4.16Å; Y161-Y166 VanDerWaalsContact CG-CA 3.48Å; Y166-S193 WeakPolarHBondContact CA-OG 3.44Å; Y166-S193 PolarHBondContact N-OG 3.04Å; Y166-R195 HydrophobicContact CD1-CB 4.17Å; Y166-R195 HydrophobicContact CD1-CG 4.47Å; Y166-R195 HydrophobicContact CE1-CB 3.75Å
167	R	94.3	Very high	96	Very high	147 Å²	147	41.9 Å²	41.9	56%	0.555	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	160.3	-176.1	-66.9	-179.4	-62.8	139.7	1.8	112.5	Y163 P164 G165	Y163-R167 WeakPolarHBondContact CB-O 3.29Å; Y163-R167 PolarHBondContact N-O 3.48Å; P164-R167 PolarHBondContact O-NE 2.74Å; P164-R167 PolarHBondContact O-NH2 2.95Å; P164-R167 VanDerWaalsContact O-NH2 3.16Å; G165-R167 PolarHBondContact O-N 2.92Å
168	G	94.6	Very high	96.2	Very high	4 Å²	4	43.1 Å²	43.1	4%	0.041	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.5	-162	-178.9	0	0	0	0	0	112.4	N94	N94-G168 CarbonylContact C-O 3.6Å; N94-G168 WeakPolarHBondContact CB-O 3.23Å; N94-G168 WeakPolarHBondContact O-CA 3.48Å; N94-G168 PolarHBondContact O-N 2.82Å
169	R	95.2	Very high	96.3	Very high	45 Å²	45	49.2 Å²	49.2	17%	0.17	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	142.2	-179.9	-171.4	162.2	-176.9	-153.8	-7	110.8	G76 E77 Y161 M162 Y171 E185	G76-R169 PolarHBondContact O-NH2 2.82Å; E77-R169 HydrophobicContact CG-CG 4.08Å; Y161-R169 WeakPolarHBondContact CA-O 3.4Å; M162-R169 PolarHBondContact N-O 3.37Å; M162-R169 VanDerWaalsContact N-O 3.16Å; R169-Y171 HydrophobicContact CG-CE1 3.94Å; R169-E185 PolarHBondContact NH1-O 3.16Å; R169-E185 PolarHBondContact NH2-O 3.32Å
170	Q	95.6	Very high	96.4	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.019	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.9	-179.1	-41.8	-175	25.2	0	0	110.2	I80 N94 V159 G160 Y161	I80-Q170 VanDerWaalsContact N-OE1 3.07Å; N94-Q170 HydrophobicContact CB-CG 4.48Å; V159-Q170 HydrophobicContact CG1-CB 3.87Å; G160-Q170 CarbonylContact O-C 3.52Å; G160-Q170 WeakPolarHBondContact O-CA 3.37Å; Y161-Q170 HydrophobicContact CD1-CG 4.03Å; Y161-Q170 HydrophobicContact CE1-CB 4.31Å; Y161-Q170 HydrophobicContact CE1-CG 3.68Å
171	Y	96.8	Very high	96.4	Very high	3 Å²	3	54.1 Å²	54.1	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	118	176.7	-52.7	-70.1	0	0	0	108.9	V159 G160 R169 W184 A186 I191	V159-Y171 CarbonylContact C-O 3.57Å; V159-Y171 WeakPolarHBondContact CA-O 3.16Å; G160-Y171 PolarHBondContact N-O 2.97Å; G160-Y171 PolarHBondContact O-N 2.98Å; R169-Y171 HydrophobicContact CG-CE1 3.94Å; Y171-W184 AromaticContact CD1-CD1 3.59Å; Y171-W184 AromaticContact CG-CD1 3.68Å; Y171-A186 HydrophobicContact CD1-CB 4.05Å; Y171-A186 HydrophobicContact CE1-CB 3.47Å; Y171-A186 VanDerWaalsContact CE1-CB 3.47Å; Y171-A186 HydrophobicContact CE2-CB 4.49Å; Y171-I191 HydrophobicContact CD2-CD1 4.4Å; Y171-I191 HydrophobicContact CD2-CG1 4.22Å
172	I	95.4	Very high	96.4	Very high	12 Å²	12	58.7 Å²	58.7	6%	0.062	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	130.2	-178.3	-66	86.4	0	0	0	110.1	M67 Q78 L107 T157 W158 V159 E174	M67-I172 HydrophobicContact CE-CB 3.5Å; M67-I172 VanDerWaalsContact CE-CB 3.5Å; M67-I172 HydrophobicContact CE-CD1 4.02Å; M67-I172 HydrophobicContact CE-CG1 3.66Å; M67-I172 HydrophobicContact CE-CG2 3.41Å; M67-I172 VanDerWaalsContact CE-CG2 3.41Å; M67-I172 HydrophobicContact CG-CD1 4.26Å; M67-I172 HydrophobicContact SD-CB 4.3Å; M67-I172 HydrophobicContact SD-CD1 3.99Å; M67-I172 HydrophobicContact SD-CG1 4.3Å; Q78-I172 HydrophobicContact CB-CD1 3.58Å; Q78-I172 HydrophobicContact CG-CD1 4.42Å; Q78-I172 VanDerWaalsContact OE1-N 3.14Å; L107-I172 HydrophobicContact CD1-CG2 4.46Å; L107-I172 HydrophobicContact CD2-CG2 4.43Å; T157-I172 HydrophobicContact CG2-CG2 3.98Å; W158-I172 WeakPolarHBondContact O-CA 3.16Å; V159-I172 HydrophobicContact CG2-CG1 4.29Å; I172-E174 HydrophobicContact CG2-CG 4.42Å
173	F	96.3	Very high	96.4	Very high	1 Å²	1	60.9 Å²	60.9	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	96.4	173.6	-55.5	-78.4	0	0	0	109	V151 A153 W158 F178 W184 I191	V151-F173 HydrophobicContact CB-CD1 4.2Å; V151-F173 HydrophobicContact CB-CE1 4.01Å; V151-F173 HydrophobicContact CG1-CD1 3.91Å; V151-F173 HydrophobicContact CG1-CE1 4.13Å; V151-F173 HydrophobicContact CG1-CG 4.18Å; V151-F173 HydrophobicContact CG2-CD1 4.48Å; V151-F173 HydrophobicContact CG2-CE1 3.87Å; V151-F173 HydrophobicContact CG2-CZ 3.99Å; A153-F173 HydrophobicContact CB-CB 4.07Å; W158-F173 HydrophobicContact CB-CB 4.28Å; W158-F173 PolarHBondContact N-O 3.01Å; W158-F173 PolarHBondContact O-N 2.74Å; F173-F178 HydrophobicContact CB-CE2 4.21Å; F173-F178 HydrophobicContact CB-CZ 4.49Å; F173-F178 HydrophobicContact CD1-CD1 4.37Å; F173-F178 AromaticContact CD1-CD2 3.88Å; F173-F178 HydrophobicContact CD1-CD2 3.88Å; F173-F178 HydrophobicContact CD1-CE1 4.34Å; F173-F178 AromaticContact CD1-CE2 3.86Å; F173-F178 HydrophobicContact CD1-CE2 3.86Å; F173-F178 HydrophobicContact CD1-CG 4.16Å; F173-F178 HydrophobicContact CD1-CZ 4.09Å; F173-F178 HydrophobicContact CE1-CG 4.47Å; F173-W184 HydrophobicContact CE1-CB 3.82Å; F173-W184 AromaticContact CE1-CD2 3.55Å; F173-W184 HydrophobicContact CE1-CD2 3.55Å; F173-W184 AromaticContact CE1-CE3 3.72Å; F173-W184 HydrophobicContact CE1-CE3 3.72Å; F173-W184 AromaticContact CE1-CG 3.64Å; F173-W184 HydrophobicContact CE1-CG 3.64Å; F173-W184 HydrophobicContact CE1-CZ3 4.37Å; F173-W184 HydrophobicContact CZ-CB 4.37Å; F173-W184 AromaticContact CZ-CD2 3.92Å; F173-W184 HydrophobicContact CZ-CD2 3.92Å; F173-W184 HydrophobicContact CZ-CE3 4.45Å; F173-W184 AromaticContact CZ-CG 3.91Å; F173-W184 HydrophobicContact CZ-CG 3.91Å; F173-I191 HydrophobicContact CE2-CD1 4.03Å; F173-I191 HydrophobicContact CZ-CD1 3.75Å
174	E	94.4	Very high	96.3	Very high	68 Å²	68	56.2 Å²	56.2	32%	0.318	27%	0.27	S	S	.	.			trans	-71.3	166.1	160.3	-71.6	174.5	113.3	0	0	109.5	R105 L107 A153 T157 I172 G176 F178	R105-E174 IonicContact CZ-OE2 3Å; R105-E174 IonicContact NH1-OE1 3.19Å; R105-E174 PolarHBondContact NH1-OE1 2.91Å; R105-E174 IonicContact NH1-OE2 3.89Å; R105-E174 IonicContact NH2-OE1 3.66Å; R105-E174 IonicContact NH2-OE2 3.75Å; R105-E174 PolarHBondContact NH2-OE2 2.89Å; L107-E174 HydrophobicContact CD1-CG 3.95Å; A153-E174 VanDerWaalsContact CB-O 3.26Å; A153-E174 WeakPolarHBondContact CB-O 3.43Å; T157-E174 HydrophobicContact CG2-CG 4.27Å; I172-E174 HydrophobicContact CG2-CG 4.42Å; E174-G176 PolarHBondContact O-N 2.86Å; E174-G176 VanDerWaalsContact O-N 3.11Å; E174-F178 WeakPolarHBondContact O-CE2 3.4Å
175	R	94.9	Very high	96.1	Very high	201 Å²	201	58.5 Å²	58.5	76%	0.758	28%	0.278	S	S	*	.	S	Bend	trans	-53.9	120.9	-178.9	179.8	179.7	174.1	145.5	-1	111	A153	A153-R175 WeakPolarHBondContact O-CA 3.19Å
176	G	96.1	Very high	96.1	Very high	26 Å²	26	56.8 Å²	56.8	27%	0.268	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	166.7	173.7	-175.7	0	0	0	0	0	114.5	A153 E174	A153-G176 PolarHBondContact N-O 3.26Å; A153-G176 PolarHBondContact O-N 2.86Å; E174-G176 PolarHBondContact O-N 2.86Å; E174-G176 VanDerWaalsContact O-N 3.11Å
177	D	98.4	Very high	95.9	Very high	90 Å²	90	59 Å²	59	48%	0.481	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	114.5	179.3	-90.1	10.9	0	0	0	108.6	F124 K152	F124-D177 HydrophobicContact CE2-CB 4.48Å; F124-D177 HydrophobicContact CZ-CB 3.78Å; K152-D177 WeakPolarHBondContact CG-OD1 3.33Å; K152-D177 IonicContact NZ-OD2 2.92Å
178	F	98.5	Very high	96	Very high	32 Å²	32	54 Å²	54	14%	0.14	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	100.9	-179.1	-56.3	-98.3	0	0	0	109	F124 S150 V151 A153 F173 E174 D183 W184	F124-F178 WeakPolarHBondContact CE1-O 3.34Å; S150-F178 CarbonylContact C-O 3.57Å; S150-F178 VanDerWaalsContact CA-O 3.23Å; S150-F178 WeakPolarHBondContact CA-O 3.45Å; S150-F178 WeakPolarHBondContact CB-O 3.49Å; V151-F178 HydrophobicContact CB-CB 4.29Å; V151-F178 HydrophobicContact CB-CD2 4.4Å; V151-F178 PolarHBondContact N-O 2.84Å; V151-F178 PolarHBondContact O-N 3.26Å; A153-F178 HydrophobicContact CB-CE2 4.31Å; F173-F178 HydrophobicContact CB-CE2 4.21Å; F173-F178 HydrophobicContact CB-CZ 4.49Å; F173-F178 HydrophobicContact CD1-CD1 4.37Å; F173-F178 AromaticContact CD1-CD2 3.88Å; F173-F178 HydrophobicContact CD1-CD2 3.88Å; F173-F178 HydrophobicContact CD1-CE1 4.34Å; F173-F178 AromaticContact CD1-CE2 3.86Å; F173-F178 HydrophobicContact CD1-CE2 3.86Å; F173-F178 HydrophobicContact CD1-CG 4.16Å; F173-F178 HydrophobicContact CD1-CZ 4.09Å; F173-F178 HydrophobicContact CE1-CG 4.47Å; E174-F178 WeakPolarHBondContact O-CE2 3.4Å; F178-D183 HydrophobicContact CB-CB 4.12Å; F178-D183 HydrophobicContact CD1-CB 3.86Å; F178-D183 HydrophobicContact CG-CB 4.49Å; F178-W184 HydrophobicContact CB-CE3 3.56Å; F178-W184 HydrophobicContact CB-CZ3 3.57Å; F178-W184 HydrophobicContact CD1-CB 4.46Å; F178-W184 HydrophobicContact CD1-CE3 4.17Å; F178-W184 HydrophobicContact CG-CE3 4.13Å
179	K	98.4	Very high	96.2	Very high	128 Å²	128	54.6 Å²	54.6	56%	0.557	27%	0.271	S	S	*	.			trans	-79.6	-20.9	-170.7	-69.9	178.4	-178.5	178.3	0	113	P122 G123 F124 S150 D183	P122-K179 CarbonylContact C-O 3.6Å; P122-K179 WeakPolarHBondContact CA-O 3.37Å; G123-K179 PolarHBondContact N-O 3.16Å; F124-K179 HydrophobicContact CE1-CG 4.33Å; F124-K179 HydrophobicContact CE2-CD 4.4Å; F124-K179 HydrophobicContact CE2-CG 3.6Å; F124-K179 HydrophobicContact CZ-CB 4.33Å; F124-K179 HydrophobicContact CZ-CG 3.43Å; F124-K179 VanDerWaalsContact CZ-CG 3.43Å; S150-K179 WeakPolarHBondContact CB-O 3.47Å; K179-D183 PolarHBondContact N-OD2 2.87Å
180	H	98.5	Very high	96.3	Very high	56 Å²	56	53.9 Å²	53.9	26%	0.259	27%	0.271	S	S	.	.	S	Bend	trans	-145.1	153.6	-179.9	-165	-87.1	0	0	0	110.6	A149 N182 D183 W184	A149-H180 CarbonylContact O-C 3.52Å; A149-H180 WeakPolarHBondContact O-CA 3.22Å; H180-N182 VanDerWaalsContact ND1-CG 3.34Å; H180-N182 PolarHBondContact ND1-N 2.92Å; H180-N182 PolarHBondContact ND1-ND2 2.7Å; H180-N182 PolarHBondContact O-N 3.08Å; H180-D183 PolarHBondContact N-OD2 2.88Å; H180-D183 VanDerWaalsContact O-CB 3.25Å; H180-D183 WeakPolarHBondContact O-CB 3.48Å; H180-D183 VanDerWaalsContact O-CG 3.26Å; H180-D183 PolarHBondContact O-N 2.86Å; H180-W184 WeakPolarHBondContact O-CZ3 3.42Å
181	W	98	Very high	96.4	Very high	47 Å²	47	53.8 Å²	53.8	18%	0.178	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-63.7	-11.4	179.8	62.9	80.4	0	0	0	115.6	P122 A149 D183 W184 A186 P189	P122-W181 HydrophobicContact CG-CE3 4.41Å; P122-W181 HydrophobicContact CG-CZ3 3.76Å; A149-W181 HydrophobicContact CB-CE3 3.64Å; A149-W181 HydrophobicContact CB-CZ3 3.79Å; A149-W181 PolarHBondContact O-N 2.89Å; W181-D183 VanDerWaalsContact C-N 3.28Å; W181-W184 VanDerWaalsContact CA-CE2 3.44Å; W181-W184 HydrophobicContact CB-CD2 4.48Å; W181-W184 HydrophobicContact CB-CH2 3.84Å; W181-W184 HydrophobicContact CB-CZ2 3.37Å; W181-A186 HydrophobicContact CB-CB 4.41Å; W181-A186 WeakPolarHBondContact O-CB 3.45Å; W181-A186 PolarHBondContact O-N 3Å; W181-A186 VanDerWaalsContact O-N 3.13Å; W181-P189 HydrophobicContact CB-CB 4.18Å; W181-P189 HydrophobicContact CD2-CB 3.73Å; W181-P189 HydrophobicContact CD2-CG 4.01Å; W181-P189 HydrophobicContact CE3-CB 3.54Å; W181-P189 HydrophobicContact CE3-CG 3.89Å; W181-P189 HydrophobicContact CG-CB 4.04Å; W181-P189 HydrophobicContact CH2-CG 4.38Å; W181-P189 HydrophobicContact CZ3-CB 4.14Å; W181-P189 HydrophobicContact CZ3-CG 4.05Å
182	N	96.6	Very high	96.5	Very high	100 Å²	100	54.9 Å²	54.9	54%	0.535	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-74.3	-24.5	173.1	-66.2	-9.6	0	0	0	111.3	H180 W184 E185	H180-N182 VanDerWaalsContact ND1-CG 3.34Å; H180-N182 PolarHBondContact ND1-N 2.92Å; H180-N182 PolarHBondContact ND1-ND2 2.7Å; H180-N182 PolarHBondContact O-N 3.08Å; N182-W184 PolarHBondContact O-N 3.32Å; N182-E185 PolarHBondContact O-N 2.55Å
183	D	96.9	Very high	96.7	Very high	85 Å²	85	54.3 Å²	54.3	46%	0.455	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-67.9	-19	-178.1	-57.9	-17	0	0	0	112	F178 K179 H180 W181	F178-D183 HydrophobicContact CB-CB 4.12Å; F178-D183 HydrophobicContact CD1-CB 3.86Å; F178-D183 HydrophobicContact CG-CB 4.49Å; K179-D183 PolarHBondContact N-OD2 2.87Å; H180-D183 PolarHBondContact N-OD2 2.88Å; H180-D183 VanDerWaalsContact O-CB 3.25Å; H180-D183 WeakPolarHBondContact O-CB 3.48Å; H180-D183 VanDerWaalsContact O-CG 3.26Å; H180-D183 PolarHBondContact O-N 2.86Å; W181-D183 VanDerWaalsContact C-N 3.28Å
184	W	95.3	Very high	96.7	Very high	5 Å²	5	54.3 Å²	54.3	2%	0.019	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-115.3	22.8	172.4	61.9	87.4	0	0	0	112.7	V151 Y171 F173 F178 H180 W181 N182 A186 I191	V151-W184 HydrophobicContact CB-CZ3 4.41Å; V151-W184 HydrophobicContact CG2-CH2 3.94Å; V151-W184 HydrophobicContact CG2-CZ2 4.45Å; V151-W184 HydrophobicContact CG2-CZ3 4.13Å; Y171-W184 AromaticContact CD1-CD1 3.59Å; Y171-W184 AromaticContact CG-CD1 3.68Å; F173-W184 HydrophobicContact CE1-CB 3.82Å; F173-W184 AromaticContact CE1-CD2 3.55Å; F173-W184 HydrophobicContact CE1-CD2 3.55Å; F173-W184 AromaticContact CE1-CE3 3.72Å; F173-W184 HydrophobicContact CE1-CE3 3.72Å; F173-W184 AromaticContact CE1-CG 3.64Å; F173-W184 HydrophobicContact CE1-CG 3.64Å; F173-W184 HydrophobicContact CE1-CZ3 4.37Å; F173-W184 HydrophobicContact CZ-CB 4.37Å; F173-W184 AromaticContact CZ-CD2 3.92Å; F173-W184 HydrophobicContact CZ-CD2 3.92Å; F173-W184 HydrophobicContact CZ-CE3 4.45Å; F173-W184 AromaticContact CZ-CG 3.91Å; F173-W184 HydrophobicContact CZ-CG 3.91Å; F178-W184 HydrophobicContact CB-CE3 3.56Å; F178-W184 HydrophobicContact CB-CZ3 3.57Å; F178-W184 HydrophobicContact CD1-CB 4.46Å; F178-W184 HydrophobicContact CD1-CE3 4.17Å; F178-W184 HydrophobicContact CG-CE3 4.13Å; H180-W184 WeakPolarHBondContact O-CZ3 3.42Å; W181-W184 VanDerWaalsContact CA-CE2 3.44Å; W181-W184 HydrophobicContact CB-CD2 4.48Å; W181-W184 HydrophobicContact CB-CH2 3.84Å; W181-W184 HydrophobicContact CB-CZ2 3.37Å; N182-W184 PolarHBondContact O-N 3.32Å; W184-A186 VanDerWaalsContact CD1-CB 3.44Å; W184-A186 VanDerWaalsContact NE1-CB 3.25Å; W184-A186 PolarHBondContact O-N 3.29Å; W184-A186 VanDerWaalsContact O-N 3.15Å; W184-I191 HydrophobicContact CZ2-CD1 4.38Å
185	E	93.2	Very high	96.8	Very high	83 Å²	83	51.7 Å²	51.7	39%	0.388	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	27.7	174.9	-59	-179.9	-146	0	0	114.8	G76 R169 N182	G76-E185 PolarHBondContact N-OE2 3.35Å; R169-E185 PolarHBondContact NH1-O 3.16Å; R169-E185 PolarHBondContact NH2-O 3.32Å; N182-E185 PolarHBondContact O-N 2.55Å
186	A	94.4	Very high	96.8	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.041	23%	0.23	C	C	.	.			trans	-81.7	140.8	174.3	0	0	0	0	0	111.8	Y171 W181 W184 S188	Y171-A186 HydrophobicContact CD1-CB 4.05Å; Y171-A186 HydrophobicContact CE1-CB 3.47Å; Y171-A186 VanDerWaalsContact CE1-CB 3.47Å; Y171-A186 HydrophobicContact CE2-CB 4.49Å; W181-A186 HydrophobicContact CB-CB 4.41Å; W181-A186 WeakPolarHBondContact O-CB 3.45Å; W181-A186 PolarHBondContact O-N 3Å; W181-A186 VanDerWaalsContact O-N 3.13Å; W184-A186 VanDerWaalsContact CD1-CB 3.44Å; W184-A186 VanDerWaalsContact NE1-CB 3.25Å; W184-A186 PolarHBondContact O-N 3.29Å; W184-A186 VanDerWaalsContact O-N 3.15Å; A186-S188 VanDerWaalsContact C-N 3.3Å; A186-S188 WeakPolarHBondContact CB-O 3.39Å
187	P	92.6	Very high	96.6	Very high	97 Å²	97	42.6 Å²	42.6	63%	0.63	22%	0.217	S	C	*	.	S	Bend	trans	-77.7	-19.4	177	32.5	-32.5	0	0	0	112.2
188	S	96.3	Very high	95.8	Very high	43 Å²	43	40.7 Å²	40.7	30%	0.301	20%	0.203	S	C	.	.	S	Bend	trans	-151.2	157.3	178.4	63	0	0	0	0	109.8	A186 L190	A186-S188 VanDerWaalsContact C-N 3.3Å; A186-S188 WeakPolarHBondContact CB-O 3.39Å; S188-L190 PolarHBondContact O-N 2.73Å
189	P	97.8	Very high	94.1	Very high	15 Å²	15	42.9 Å²	42.9	10%	0.097	22%	0.217	C	C	.	.	S	Bend	trans	-77.5	48.3	179.9	31.6	-35.1	0	0	0	112.5	R147 V148 A149 W181	R147-P189 CarbonylContact C-O 3.47Å; R147-P189 VanDerWaalsContact CA-O 3.27Å; R147-P189 WeakPolarHBondContact CA-O 3.26Å; R147-P189 HydrophobicContact CG-CB 4.34Å; R147-P189 HydrophobicContact CG-CG 4.22Å; V148-P189 PolarHBondContact N-O 2.86Å; V148-P189 CarbonylContact O-C 3.58Å; V148-P189 VanDerWaalsContact O-CA 3.28Å; V148-P189 WeakPolarHBondContact O-CA 3.29Å; V148-P189 WeakPolarHBondContact O-CB 3.44Å; A149-P189 HydrophobicContact CB-CB 4.02Å; W181-P189 HydrophobicContact CB-CB 4.18Å; W181-P189 HydrophobicContact CD2-CB 3.73Å; W181-P189 HydrophobicContact CD2-CG 4.01Å; W181-P189 HydrophobicContact CE3-CB 3.54Å; W181-P189 HydrophobicContact CE3-CG 3.89Å; W181-P189 HydrophobicContact CG-CB 4.04Å; W181-P189 HydrophobicContact CH2-CG 4.38Å; W181-P189 HydrophobicContact CZ3-CB 4.14Å; W181-P189 HydrophobicContact CZ3-CG 4.05Å
190	L	98	Very high	92	Very high	31 Å²	31	43.3 Å²	43.3	16%	0.162	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-104.6	108.4	-174.5	-179.8	61	0	0	0	110.8	D146 M162 S188 Q192	D146-L190 HydrophobicContact CB-CD1 3.6Å; D146-L190 WeakPolarHBondContact O-CA 3.25Å; D146-L190 WeakPolarHBondContact O-CD1 3.4Å; M162-L190 HydrophobicContact CE-CD2 3.5Å; M162-L190 HydrophobicContact CG-CD2 3.57Å; M162-L190 HydrophobicContact CG-CG 3.88Å; M162-L190 HydrophobicContact SD-CD2 4.4Å; S188-L190 PolarHBondContact O-N 2.73Å; L190-Q192 HydrophobicContact CD1-CG 4.16Å
191	I	98.4	Very high	89.6	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.01	24%	0.239	C	C	.	.			trans	-138.3	130.8	172.8	-61.4	179.5	0	0	0	107.6	L139 D146 V148 Y161 Y171 F173 W184	L139-I191 HydrophobicContact CD1-CG2 4.3Å; L139-I191 VanDerWaalsContact CD1-O 3.22Å; L139-I191 WeakPolarHBondContact CD1-O 3.49Å; D146-I191 CarbonylContact C-O 3.55Å; D146-I191 PolarHBondContact O-N 3.32Å; V148-I191 HydrophobicContact CB-CB 4Å; V148-I191 HydrophobicContact CB-CD1 4.11Å; V148-I191 HydrophobicContact CB-CG1 4.24Å; V148-I191 HydrophobicContact CG1-CD1 4.09Å; V148-I191 HydrophobicContact CG2-CB 3.84Å; V148-I191 HydrophobicContact CG2-CG2 4.42Å; Y161-I191 WeakPolarHBondContact O-CA 3.22Å; Y171-I191 HydrophobicContact CD2-CD1 4.4Å; Y171-I191 HydrophobicContact CD2-CG1 4.22Å; F173-I191 HydrophobicContact CE2-CD1 4.03Å; F173-I191 HydrophobicContact CZ-CD1 3.75Å; W184-I191 HydrophobicContact CZ2-CD1 4.38Å
192	Q	98.5	Very high	87.4	Confident	25 Å²	25	51.2 Å²	51.2	12%	0.117	26%	0.255	C	S	.	.			trans	-129.1	-9.9	-176.4	-70.9	-173.9	79.5	0	0	114.1	S138 L139 D146 Y161 M162 P164 L190	S138-Q192 CarbonylContact C-O 3.46Å; S138-Q192 WeakPolarHBondContact CA-O 3.39Å; L139-Q192 PolarHBondContact N-O 2.9Å; D146-Q192 HydrophobicContact CB-CG 3.44Å; D146-Q192 VanDerWaalsContact CB-CG 3.44Å; Y161-Q192 PolarHBondContact O-N 3.3Å; M162-Q192 WeakPolarHBondContact O-CG 3.12Å; M162-Q192 PolarHBondContact O-NE2 2.77Å; P164-Q192 HydrophobicContact CG-CB 3.97Å; L190-Q192 HydrophobicContact CD1-CG 4.16Å
193	S	98.4	Very high	84.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	156.8	167.1	60.7	0	0	0	0	110.6	V136 P137 Y161 Y163 Y166	V136-S193 CarbonylContact O-C 3.6Å; V136-S193 VanDerWaalsContact O-CA 3.29Å; V136-S193 WeakPolarHBondContact O-CA 3.43Å; V136-S193 VanDerWaalsContact O-CB 3.26Å; V136-S193 WeakPolarHBondContact O-CB 3.42Å; P137-S193 VanDerWaalsContact O-CB 3.25Å; P137-S193 WeakPolarHBondContact O-CB 3.33Å; Y161-S193 WeakPolarHBondContact CB-OG 3.28Å; Y161-S193 PolarHBondContact N-O 2.99Å; Y161-S193 PolarHBondContact O-N 2.91Å; Y163-S193 PolarHBondContact O-OG 3.13Å; Y166-S193 WeakPolarHBondContact CA-OG 3.44Å; Y166-S193 PolarHBondContact N-OG 3.04Å
194	V	98.1	Very high	82.3	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	143.1	-179.6	62.9	0	0	0	0	109.6	L116 L118 I131 V136 L139 W158 V159	L116-V194 HydrophobicContact CD2-CG1 4.5Å; L116-V194 HydrophobicContact CD2-CG2 3.62Å; L118-V194 HydrophobicContact CD1-CG1 4.48Å; I131-V194 HydrophobicContact CD1-CG1 3.35Å; V136-V194 CarbonylContact C-O 3.51Å; V136-V194 HydrophobicContact CB-CG1 4Å; V136-V194 HydrophobicContact CG2-CG1 4.49Å; V136-V194 PolarHBondContact N-O 3.34Å; V136-V194 PolarHBondContact O-N 2.78Å; L139-V194 HydrophobicContact CD2-CG1 4.22Å; W158-V194 HydrophobicContact CB-CG2 4.31Å; W158-V194 HydrophobicContact CE3-CG2 3.92Å; V159-V194 CarbonylContact O-C 3.59Å; V159-V194 VanDerWaalsContact O-CA 3.28Å; V159-V194 WeakPolarHBondContact O-CA 3.2Å; V159-V194 WeakPolarHBondContact O-CG2 3.44Å
195	R	96.1	Very high	79.7	Confident	14 Å²	14	63.8 Å²	63.8	5%	0.053	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	160.7	174.4	74.8	-173.6	-180	84.7	-10.1	110.9	E82 D135 W158 V159 Y161 Y166 H203	E82-R195 IonicContact OE1-CZ 3.2Å; E82-R195 VanDerWaalsContact OE1-CZ 3.26Å; E82-R195 IonicContact OE1-NH1 3.92Å; E82-R195 PolarHBondContact OE1-NH1 3.09Å; E82-R195 IonicContact OE1-NH2 3.76Å; E82-R195 PolarHBondContact OE1-NH2 3.27Å; E82-R195 IonicContact OE2-NH2 3.11Å; D135-R195 HydrophobicContact CB-CB 3.96Å; W158-R195 WeakPolarHBondContact CA-O 3.13Å; V159-R195 PolarHBondContact N-O 3.18Å; V159-R195 PolarHBondContact O-N 3.28Å; Y161-R195 HydrophobicContact CE2-CG 4.03Å; Y161-R195 PolarHBondContact OH-NE 3.43Å; Y161-R195 PolarHBondContact OH-NH2 3.13Å; Y166-R195 HydrophobicContact CD1-CB 4.17Å; Y166-R195 HydrophobicContact CD1-CG 4.47Å; Y166-R195 HydrophobicContact CE1-CB 3.75Å; R195-H203 PolarHBondContact NH1-CD2 3.21Å; R195-H203 VanDerWaalsContact NH1-CD2 3.28Å
196	R	94.3	Very high	77.4	Confident	35 Å²	35	63 Å²	63	13%	0.132	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	143.4	171.3	-62.4	170.4	-74.2	172.1	-11.2	109.9	H114 D133 D135 W158 R198	H114-R196 VanDerWaalsContact CB-CD 3.4Å; H114-R196 HydrophobicContact CB-CG 3.79Å; H114-R196 VanDerWaalsContact CG-CD 3.42Å; D133-R196 VanDerWaalsContact CA-NH1 3.33Å; D133-R196 PolarHBondContact O-NH1 2.66Å; D133-R196 PolarHBondContact O-NH2 3.45Å; D133-R196 IonicContact OD1-NH1 3.45Å; D135-R196 WeakPolarHBondContact OD1-CB 3.41Å; D135-R196 WeakPolarHBondContact OD1-CG 3.44Å; D135-R196 IonicContact OD1-CZ 3.5Å; D135-R196 PolarHBondContact OD1-N 2.96Å; D135-R196 IonicContact OD1-NE 2.72Å; D135-R196 PolarHBondContact OD1-NE 3.08Å; D135-R196 IonicContact OD1-NH2 3.54Å; W158-R196 HydrophobicContact CD2-CG 4.17Å; W158-R196 HydrophobicContact CE3-CG 3.67Å; W158-R196 HydrophobicContact CH2-CG 3.61Å; W158-R196 HydrophobicContact CZ2-CG 4.1Å; W158-R196 HydrophobicContact CZ3-CG 3.38Å; R196-R198 HydrophobicContact CB-CG 4.32Å
197	V	91.1	Very high	74.9	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	117.8	161.3	-175.3	0	0	0	0	106.2	P65 I80 L107 V109 H114 T157 V159	P65-V197 HydrophobicContact CB-CG1 4.46Å; P65-V197 HydrophobicContact CG-CG1 3.77Å; I80-V197 HydrophobicContact CD1-CG1 4.26Å; I80-V197 HydrophobicContact CD1-CG2 4.29Å; L107-V197 HydrophobicContact CD2-CG1 4.27Å; L107-V197 HydrophobicContact CD2-CG2 4.48Å; V109-V197 HydrophobicContact CG1-CG1 4.48Å; V109-V197 VanDerWaalsContact CG1-O 3.27Å; V109-V197 WeakPolarHBondContact CG1-O 3.27Å; V109-V197 HydrophobicContact CG2-CB 4.48Å; V109-V197 HydrophobicContact CG2-CG1 3.69Å; H114-V197 PolarHBondContact NE2-O 2.96Å; T157-V197 HydrophobicContact CG2-CB 4.17Å; T157-V197 HydrophobicContact CG2-CG2 3.96Å; T157-V197 PolarHBondContact O-N 3.07Å; V159-V197 HydrophobicContact CG2-CG2 3.34Å
198	R	81.8	Confident	72.4	Confident	51 Å²	51	67.5 Å²	67.5	19%	0.192	33%	0.325	C	S	.	.			trans	-110	136.8	175.1	-59.4	-171.4	-161.3	102.5	24.2	109.1	D135 R196 Q201	D135-R198 IonicContact OD1-NH2 3.62Å; D135-R198 PolarHBondContact OD1-NH2 3.3Å; D135-R198 IonicContact OD2-CZ 3.56Å; D135-R198 IonicContact OD2-NH1 3.38Å; D135-R198 IonicContact OD2-NH2 2.58Å; D135-R198 PolarHBondContact OD2-NH2 3.32Å; R196-R198 HydrophobicContact CB-CG 4.32Å; R198-Q201 HydrophobicContact CB-CB 4.13Å
199	D	64.5	Low	70.1	Confident	78 Å²	78	71.3 Å²	71.3	42%	0.417	34%	0.341	S	S	.	.	S	Bend	trans	-68.9	138.7	166.3	-168.3	16.9	0	0	0	108.9	V109 Q201	V109-D199 HydrophobicContact CB-CB 4.32Å; V109-D199 HydrophobicContact CG1-CB 4.31Å; D199-Q201 PolarHBondContact O-N 3.16Å
200	M	52.7	Low	67.7	Low	137 Å²	137	76 Å²	76	68%	0.675	36%	0.364	S	S	*	.	S	Bend	trans	56.1	6.8	171.7	-64.5	-175	130.5	0	0	118.8	W202	M200-W202 VanDerWaalsContact CA-CH2 3.42Å; M200-W202 HydrophobicContact CB-CH2 4.32Å; M200-W202 HydrophobicContact CG-CH2 4.42Å
201	Q	48.8	Very low	65.5	Low	129 Å²	129	79 Å²	79	60%	0.603	39%	0.386	S	S	*	.			trans	-120.3	105.7	177.3	-70.6	-171.2	10.7	0	0	111.3	R198 D199	R198-Q201 HydrophobicContact CB-CB 4.13Å; D199-Q201 PolarHBondContact O-N 3.16Å
202	W	52	Low	63.8	Low	139 Å²	139	86 Å²	86	53%	0.527	42%	0.423	S	S	.	.			trans	-75.7	128.7	-165.1	-44.1	138.5	0	0	0	113.4	K83 M200 K204	K83-W202 HydrophobicContact CB-CH2 3.68Å; K83-W202 HydrophobicContact CB-CZ2 4.42Å; K83-W202 HydrophobicContact CB-CZ3 3.89Å; K83-W202 HydrophobicContact CD-CH2 3.82Å; K83-W202 HydrophobicContact CD-CZ2 3.93Å; K83-W202 HydrophobicContact CG-CH2 4.34Å; M200-W202 VanDerWaalsContact CA-CH2 3.42Å; M200-W202 HydrophobicContact CB-CH2 4.32Å; M200-W202 HydrophobicContact CG-CH2 4.42Å; W202-K204 PolarHBondContact O-N 2.99Å
203	H	42.9	Very low	62.3	Low	38 Å²	38	90.2 Å²	90.2	18%	0.176	45%	0.453	C	S	.	.			trans	-80.3	102.3	158.4	-73.9	-74.3	0	0	0	108.8	D135 R195 R205	D135-H203 IonicContact OD2-CE1 3.84Å; D135-H203 PolarHBondContact OD2-CE1 2.86Å; D135-H203 IonicContact OD2-NE2 3.28Å; R195-H203 PolarHBondContact NH1-CD2 3.21Å; R195-H203 VanDerWaalsContact NH1-CD2 3.28Å; H203-R205 PolarHBondContact O-N 3.48Å
204	K	43.1	Very low	60.9	Low	177 Å²	177	97.4 Å²	97.4	77%	0.77	49%	0.491	S	S	*	.	S	Bend	trans	-60.9	-4.8	176	-66.4	-172.6	177	-174.6	0	114.7	W202	W202-K204 PolarHBondContact O-N 2.99Å
205	R	40.8	Very low	59.8	Low	239 Å²	239	103 Å²	103	90%	0.902	53%	0.528	S	S	*	.	S	Bend	trans	-105.1	89.1	-179.9	-75.2	-175.5	167.8	-179.8	-3.2	109	H203	H203-R205 PolarHBondContact O-N 3.48Å
206	G	44.2	Very low	58.6	Low	68 Å²	68	106.6 Å²	106.6	70%	0.701	56%	0.56	S	S	*	*	S	Bend	trans	155.1	-25.5	176.5	0	0	0	0	0	114.1
207	C	41.9	Very low	57.7	Low	56 Å²	56	110.8 Å²	110.8	38%	0.378	59%	0.592	S	S	.	*	S	Bend	trans	-83.9	135.1	174.2	-56.3	0	0	0	0	110.3	I209	C207-I209 PolarHBondContact O-N 2.96Å
208	F	41.7	Very low	56.8	Low	140 Å²	140	114.9 Å²	114.9	61%	0.614	63%	0.626	S	S	*	*			trans	-61.2	105.9	163.7	-173.5	-93.5	0	0	0	107.5	I210	F208-I210 HydrophobicContact CD1-CG1 4.13Å; F208-I210 HydrophobicContact CE1-CG1 4.1Å; F208-I210 PolarHBondContact O-N 2.96Å
209	I	47.3	Very low	56.5	Low	122 Å²	122	118.4 Å²	118.4	63%	0.626	66%	0.655	S	S	*	*			trans	-80.2	113.7	167.7	-59.4	-163.4	0	0	0	105	C207 P211	C207-I209 PolarHBondContact O-N 2.96Å; I209-P211 WeakPolarHBondContact O-CD 3.21Å
210	I	47.7	Very low	57	Low	113 Å²	113	118.7 Å²	118.7	58%	0.579	67%	0.668	S	S	*	*			trans	-55.9	114.6	165.3	-58.7	171.9	0	0	0	104.9	F208 D212	F208-I210 HydrophobicContact CD1-CG1 4.13Å; F208-I210 HydrophobicContact CE1-CG1 4.1Å; F208-I210 PolarHBondContact O-N 2.96Å; I210-D212 PolarHBondContact O-N 2.94Å
211	P	51.9	Low	58	Low	96 Å²	96	118.3 Å²	118.3	62%	0.623	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-57.4	134	174.2	21.2	-27.6	0	0	0	107.3	I209	I209-P211 WeakPolarHBondContact O-CD 3.21Å
212	D	61.2	Low	59.3	Low	147 Å²	147	114.9 Å²	114.9	79%	0.786	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-48	136.1	171.9	-74.7	-43.4	0	0	0	108.1	I210 D214	I210-D212 PolarHBondContact O-N 2.94Å; D212-D214 PolarHBondContact O-N 3.16Å; D212-D214 VanDerWaalsContact O-N 3.16Å
213	P	68.6	Low	60.5	Low	115 Å²	115	114.4 Å²	114.4	75%	0.747	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-53.2	129.4	176.1	21.9	-31	0	0	0	107.9
214	D	69	Low	62	Low	151 Å²	151	119.7 Å²	119.7	81%	0.807	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-47	129.8	178.8	-84.8	-36.2	0	0	0	108.5	D212 A216	D212-D214 PolarHBondContact O-N 3.16Å; D212-D214 VanDerWaalsContact O-N 3.16Å; D214-A216 PolarHBondContact O-N 3.47Å; D214-A216 VanDerWaalsContact O-N 3.11Å
215	P	73.5	Confident	63.6	Low	119 Å²	119	116.9 Å²	116.9	77%	0.773	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-53.6	127.8	176.7	20.3	-29.5	0	0	0	107.7
216	A	72.2	Confident	65.3	Low	88 Å²	88	112.9 Å²	112.9	73%	0.727	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-47.2	132.6	-179.1	0	0	0	0	0	109	D214 A218	D214-A216 PolarHBondContact O-N 3.47Å; D214-A216 VanDerWaalsContact O-N 3.11Å; A216-A218 PolarHBondContact O-N 2.84Å
217	P	74.6	Confident	66.9	Low	124 Å²	124	115.2 Å²	115.2	81%	0.805	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-53.5	130.8	-178.8	20.2	-30.6	0	0	0	108.6
218	A	72.9	Confident	68.5	Low	86 Å²	86	116.8 Å²	116.8	71%	0.711	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-51.1	136.8	177.6	0	0	0	0	0	108.8	A216 A220	A216-A218 PolarHBondContact O-N 2.84Å; A218-A220 PolarHBondContact O-N 2.83Å
219	P	75.4	Confident	70.3	Confident	124 Å²	124	115.7 Å²	115.7	81%	0.805	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-53.6	132.5	176.6	21.5	-30.8	0	0	0	108.5
220	A	74.6	Confident	71.7	Confident	85 Å²	85	115.9 Å²	115.9	70%	0.702	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-50.8	137.8	178.5	0	0	0	0	0	109.1	A218 G222	A218-A220 PolarHBondContact O-N 2.83Å; A220-G222 PolarHBondContact O-N 2.86Å; A220-G222 VanDerWaalsContact O-N 3.16Å
221	P	74.6	Confident	73.1	Confident	129 Å²	129	114.8 Å²	114.8	84%	0.838	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-52.6	128.8	173.6	20.7	-29.7	0	0	0	108.3
222	G	75.1	Confident	74.3	Confident	56 Å²	56	116.1 Å²	116.1	58%	0.577	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-55.9	155.2	175.2	0	0	0	0	0	110.2	A220 D224	A220-G222 PolarHBondContact O-N 2.86Å; A220-G222 VanDerWaalsContact O-N 3.16Å; G222-D224 PolarHBondContact O-N 2.83Å
223	P	77.4	Confident	75	Confident	130 Å²	130	113.5 Å²	113.5	84%	0.844	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-53.7	137.2	178.9	23.1	-32.4	0	0	0	110.2
224	D	75	Confident	75.4	Confident	149 Å²	149	114 Å²	114	80%	0.797	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-53.7	139.2	175.9	-76	-41.9	0	0	0	109.7	G222 D226	G222-D224 PolarHBondContact O-N 2.83Å; D224-D226 PolarHBondContact O-N 3.45Å
225	P	76.3	Confident	75.7	Confident	118 Å²	118	111.1 Å²	111.1	77%	0.766	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-60	134.8	176.5	23.7	-31.1	0	0	0	109.9
226	D	75.9	Confident	75.8	Confident	154 Å²	154	111 Å²	111	82%	0.824	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-51.2	137.8	178.2	-84.4	-34.9	0	0	0	110.8	D224 A228	D224-D226 PolarHBondContact O-N 3.45Å; D226-A228 PolarHBondContact O-N 3.05Å
227	P	77.8	Confident	75.9	Confident	118 Å²	118	112.9 Å²	112.9	77%	0.766	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-58.7	131.8	179.1	21.5	-30.2	0	0	0	110.4
228	A	76.6	Confident	75.8	Confident	89 Å²	89	111.2 Å²	111.2	74%	0.736	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-56.3	138.5	-179.4	0	0	0	0	0	111.1	D226	D226-A228 PolarHBondContact O-N 3.05Å
229	P	77.8	Confident	75.8	Confident	116 Å²	116	112.8 Å²	112.8	75%	0.753	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-61.8	146	179.9	24.1	-32.1	0	0	0	110.9
230	P	77.3	Confident	75.4	Confident	127 Å²	127	112.9 Å²	112.9	83%	0.825	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-61.8	141.6	-178.2	24.2	-32.2	0	0	0	111.2
231	A	77.8	Confident	74.8	Confident	90 Å²	90	113.5 Å²	113.5	74%	0.744	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-59.9	142.1	179.5	0	0	0	0	0	111.4
232	P	76.1	Confident	74	Confident	124 Å²	124	114.4 Å²	114.4	81%	0.805	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63	140.5	178.1	24.3	-31.3	0	0	0	111.1
233	A	77.3	Confident	72.9	Confident	91 Å²	91	116.5 Å²	116.5	75%	0.752	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-58.8	143.1	-178.8	0	0	0	0	0	111.7	A235	A233-A235 PolarHBondContact O-N 3.23Å
234	P	76.1	Confident	71.5	Confident	125 Å²	125	114 Å²	114	81%	0.812	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-63.4	136	179.1	24.5	-31.7	0	0	0	111
235	A	76.4	Confident	70.2	Confident	91 Å²	91	111.5 Å²	111.5	75%	0.752	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-63.1	142.3	178.4	0	0	0	0	0	111.1	A233	A233-A235 PolarHBondContact O-N 3.23Å
236	P	75.4	Confident	68.9	Low	117 Å²	117	115.2 Å²	115.2	76%	0.76	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-65.3	147.8	180	26.2	-32.8	0	0	0	111.3
237	P	73.6	Confident	68.5	Low	127 Å²	127	113.3 Å²	113.3	83%	0.825	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-65.9	140.1	-178.8	26	-32.5	0	0	0	111.5
238	A	73.3	Confident	68	Low	89 Å²	89	113.1 Å²	113.1	74%	0.736	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-64.1	142.9	177.9	0	0	0	0	0	111.3
239	P	72.3	Confident	67.6	Low	119 Å²	119	114.4 Å²	114.4	77%	0.773	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-67.3	145.2	179.5	27.2	-33	0	0	0	111.3
240	P	67.8	Low	67	Low	126 Å²	126	114.3 Å²	114.3	82%	0.818	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-66.8	137.4	178.8	25.4	-31.2	0	0	0	111.5
241	A	60.5	Low	66.3	Low	99 Å²	99	113.5 Å²	113.5	82%	0.818	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-63.5	134	178.2	0	0	0	0	0	111.5	A243	A241-A243 PolarHBondContact O-N 3.47Å
242	T	58.7	Low	65.6	Low	147 Å²	147	115.1 Å²	115.1	90%	0.902	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-67.9	119.7	170.2	35.1	0	0	0	0	110.7
243	A	52.6	Low	64.8	Low	100 Å²	100	114.4 Å²	114.4	83%	0.826	84%	0.839	S	S	*	*			trans	-119.2	122.7	154.1	0	0	0	0	0	105.2	A241	A241-A243 PolarHBondContact O-N 3.47Å
244	G	48	Very low	63.8	Low	77 Å²	77	116.2 Å²	116.2	79%	0.794	85%	0.846	S	S	*	*			cis	93.9	80.7	31.6	0	0	0	0	0	109.1
245	A	46.8	Very low	62.8	Low	97 Å²	97	115.5 Å²	115.5	80%	0.802	85%	0.849	S	S	*	*			trans	159.9	139.9	159	0	0	0	0	0	107.8
246	S	48.4	Very low	61.6	Low	197 Å²	197	117.7 Å²	117.7	100%	1.378	86%	0.857	S	S	*	*			cis	-172.5	0	-12.1	-109.3	0	0	0	0	105.1

Retrieved 246 of 246 residues in 47.5 ms (Link to these results)

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