A0A077Z682_TRITR Loading...

E3 ubiquitin-protein ligase

E3 ubiquitin-protein ligase that specifically binds poly-ADP-ribosylated proteins and mediates their ubiquitination and subsequent degradation.

AlphaFold DB , UniProt , Accession A0A077Z682, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 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	51.3	Low	49.8	Very low	233 Å²	233	150 Å²	150	100%	1.148	84%	0.837	S	S	*	*				0	73.3	0	-63.2	-179.6	-173.2	0	0	106.7
2	D	53.6	Low	49.2	Very low	162 Å²	162	149.6 Å²	149.6	87%	0.866	83%	0.832	S	S	*	*			trans	52.8	116.8	140.2	-44.6	-29.6	0	0	0	120.3
3	A	53.1	Low	48.7	Very low	92 Å²	92	150.2 Å²	150.2	76%	0.76	83%	0.833	S	S	*	*			trans	-73.4	158.4	-179.8	0	0	0	0	0	112.8
4	A	49.7	Very low	48.4	Very low	106 Å²	106	151.6 Å²	151.6	88%	0.876	83%	0.83	S	S	*	*			trans	-70	131.1	165.3	0	0	0	0	0	110.8
5	E	51.4	Low	48.2	Very low	178 Å²	178	149.5 Å²	149.5	83%	0.832	83%	0.829	S	S	*	*			trans	-148.5	100.3	168.6	-150.8	149.3	-178.2	0	0	106.3
6	S	50.3	Low	47.6	Very low	96 Å²	96	148.9 Å²	148.9	67%	0.671	82%	0.824	S	S	*	*				81.2	131	83.2	-174.1	0	0	0	0	113
7	S	55	Low	47.6	Very low	96 Å²	96	148.9 Å²	148.9	67%	0.671	82%	0.822	S	S	*	*			trans	69.6	118.5	141.4	49.6	0	0	0	0	119.3
8	Q	48	Very low	48	Very low	195 Å²	195	147.5 Å²	147.5	91%	0.911	82%	0.818	S	S	*	*				-153.4	87.6	119.5	-107.2	167.6	1.7	0	0	109.4
9	E	48.2	Very low	48.9	Very low	190 Å²	190	142.9 Å²	142.9	89%	0.888	81%	0.808	S	S	*	*			trans	-72.1	131	156.8	-71.6	175.3	150.6	0	0	108.5
10	K	43.5	Very low	50.3	Low	199 Å²	199	141.3 Å²	141.3	87%	0.865	80%	0.796	S	S	*	*			trans	-122.2	94.3	159.8	-92.6	-176.8	174.6	179.3	0	107.1
11	S	43.4	Very low	52	Low	103 Å²	103	138 Å²	138	72%	0.72	78%	0.775	S	S	*	*			trans	-86	103.3	164.4	54.3	0	0	0	0	108.9
12	N	42.4	Very low	53.9	Low	145 Å²	145	130.6 Å²	130.6	78%	0.775	74%	0.744	S	S	*	*			trans	-89.3	92.4	157.1	-79.1	-4	0	0	0	106.6	E14	N12-E14 PolarHBondContact O-N 3.47Å
13	N	43.8	Very low	55.9	Low	158 Å²	158	122.9 Å²	122.9	85%	0.845	70%	0.702	S	S	*	*			trans	-89.9	89.1	164	-93	-9.9	0	0	0	107.7	C15	N13-C15 PolarHBondContact O-N 2.66Å
14	E	44	Very low	57.9	Low	170 Å²	170	121 Å²	121	79%	0.794	68%	0.682	S	S	*	*			trans	-71.8	108.7	154.4	-74.6	173.8	144.3	0	0	106.1	N12 D16	N12-E14 PolarHBondContact O-N 3.47Å; E14-D16 PolarHBondContact O-N 3.45Å; E14-D16 VanDerWaalsContact O-N 3.15Å
15	C	44.7	Very low	60.1	Low	120 Å²	120	119.1 Å²	119.1	81%	0.811	66%	0.66	S	S	*	*			trans	-76.3	100.6	168.7	66.6	0	0	0	0	107.1	N13 D17	N13-C15 PolarHBondContact O-N 2.66Å; C15-D17 PolarHBondContact O-N 3.15Å
16	D	39.9	Very low	62.1	Low	139 Å²	139	113.2 Å²	113.2	74%	0.743	64%	0.638	S	S	*	*			trans	-52.3	114.8	167.5	-74.5	-38.6	0	0	0	109.1	E14 V18	E14-D16 PolarHBondContact O-N 3.45Å; E14-D16 VanDerWaalsContact O-N 3.15Å; D16-V18 PolarHBondContact O-N 3.4Å
17	D	47.7	Very low	64.2	Low	150 Å²	150	115.1 Å²	115.1	80%	0.802	64%	0.64	S	S	*	*			trans	-64.7	82.6	173.4	-179.8	38.6	0	0	0	108.6	C15 G19	C15-D17 PolarHBondContact O-N 3.15Å; D17-G19 PolarHBondContact O-N 3.37Å
18	V	54.6	Low	65.8	Low	123 Å²	123	113.7 Å²	113.7	75%	0.745	63%	0.629	S	S	*	*			trans	-72.4	71.9	173	-176.3	0	0	0	0	108.5	D16 I20	D16-V18 PolarHBondContact O-N 3.4Å; V18-I20 VanDerWaalsContact O-CG1 3.25Å; V18-I20 WeakPolarHBondContact O-CG1 3.04Å; V18-I20 PolarHBondContact O-N 3.39Å
19	G	64.8	Low	67.8	Low	60 Å²	60	108.2 Å²	108.2	62%	0.619	61%	0.61	S	S	*	*			trans	37	35.6	156.8	0	0	0	0	0	118.3	D17 L21	D17-G19 PolarHBondContact O-N 3.37Å; G19-L21 PolarHBondContact O-N 3.03Å; G19-L21 VanDerWaalsContact O-N 3.08Å
20	I	75.9	Confident	69.7	Low	111 Å²	111	99.8 Å²	99.8	57%	0.569	57%	0.571	S	S	*	*			trans	-72.2	110.4	-177.5	-58.6	-178	0	0	0	107.4	V18 V22 P29	V18-I20 VanDerWaalsContact O-CG1 3.25Å; V18-I20 WeakPolarHBondContact O-CG1 3.04Å; V18-I20 PolarHBondContact O-N 3.39Å; I20-V22 PolarHBondContact O-N 3.36Å; I20-P29 HydrophobicContact CG2-CB 3.8Å; I20-P29 HydrophobicContact CG2-CG 3.99Å
21	L	85.8	Confident	71.8	Confident	71 Å²	71	92.2 Å²	92.2	37%	0.372	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-66.5	117.6	174.6	-64.4	175.7	0	0	0	109.5	G19 Q30 M41 Y76	G19-L21 PolarHBondContact O-N 3.03Å; G19-L21 VanDerWaalsContact O-N 3.08Å; L21-Q30 HydrophobicContact CB-CG 4.29Å; L21-Q30 WeakPolarHBondContact O-CG 3.01Å; L21-Q30 PolarHBondContact O-N 3.29Å; L21-M41 HydrophobicContact CD1-CE 4.33Å; L21-M41 HydrophobicContact CD1-SD 3.74Å; L21-Y76 HydrophobicContact CD1-CD1 3.88Å; L21-Y76 HydrophobicContact CD1-CE1 3.68Å
22	V	92.1	Very high	74	Confident	79 Å²	79	88.4 Å²	88.4	48%	0.479	51%	0.508	S	S	.	.	B	Isolated β-bridge	trans	-96.1	136.7	177.6	177.7	0	0	0	0	110	I20 C28 Q30	I20-V22 PolarHBondContact O-N 3.36Å; V22-C28 WeakPolarHBondContact CA-O 3.47Å; V22-Q30 PolarHBondContact O-NE2 2.88Å
23	C	94.8	Very high	76.3	Confident	0 Å²	0	81.6 Å²	81.6	0%	0	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-77.7	123	177.7	-177.8	0	0	0	0	109.6	V25 C26 L27 C28 Q30 C43	C23-V25 PolarHBondContact O-N 2.8Å; C23-V25 VanDerWaalsContact O-N 3.07Å; C23-C26 WeakPolarHBondContact CB-SG 3.4Å; C23-L27 WeakPolarHBondContact O-CA 3.3Å; C23-L27 PolarHBondContact O-N 3.45Å; C23-C28 PolarHBondContact N-O 3.33Å; C23-Q30 HydrophobicContact CB-CG 3.74Å; C23-Q30 VanDerWaalsContact N-CG 3.35Å; C23-C43 WeakPolarHBondContact CB-SG 3.32Å; C23-C43 PolarHBondContact SG-N 2.7Å; C23-C43 VanDerWaalsContact SG-N 3.43Å
24	P	95.7	Very high	78.7	Confident	52 Å²	52	74.1 Å²	74.1	34%	0.338	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-4.9	-179.6	31.8	-39.6	0	0	0	113.7	F42 L60	P24-F42 HydrophobicContact CG-CD1 3.51Å; P24-F42 HydrophobicContact CG-CE1 3.35Å; P24-F42 HydrophobicContact CG-CZ 4.36Å; P24-L60 HydrophobicContact CB-CD1 4.35Å; P24-L60 HydrophobicContact CB-CD2 4.08Å; P24-L60 HydrophobicContact CB-CG 4.47Å; P24-L60 HydrophobicContact CG-CD1 3.93Å; P24-L60 HydrophobicContact CG-CD2 4.39Å; P24-L60 HydrophobicContact CG-CG 4.24Å
25	V	96	Very high	81.1	Confident	67 Å²	67	67.9 Å²	67.9	41%	0.406	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-52.1	177.8	173.4	0	0	0	0	111.6	C23 F42 C46 P59	C23-V25 PolarHBondContact O-N 2.8Å; C23-V25 VanDerWaalsContact O-N 3.07Å; V25-F42 HydrophobicContact CG2-CD1 3.6Å; V25-F42 HydrophobicContact CG2-CE1 3.97Å; V25-C46 HydrophobicContact CB-CB 3.82Å; V25-C46 HydrophobicContact CG1-CB 3.77Å; V25-C46 HydrophobicContact CG2-CB 4.33Å; V25-P59 HydrophobicContact CG2-CB 3.87Å; V25-P59 HydrophobicContact CG2-CG 3.77Å
26	C	94.1	Very high	83.5	Confident	54 Å²	54	62.4 Å²	62.4	37%	0.365	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-10.9	179.7	61.8	0	0	0	0	113.8	C23 C28	C23-C26 WeakPolarHBondContact CB-SG 3.4Å; C26-C28 PolarHBondContact O-N 3.01Å; C26-C28 PolarHBondContact O-SG 3.4Å
27	L	94.1	Very high	86.2	Confident	136 Å²	136	60.3 Å²	60.3	71%	0.712	36%	0.361	S	S	*	.	S	Bend	trans	60.4	22.9	-176.9	-48.5	179.7	0	0	0	113.9	C23	C23-L27 WeakPolarHBondContact O-CA 3.3Å; C23-L27 PolarHBondContact O-N 3.45Å
28	C	89.3	Confident	88.5	Confident	65 Å²	65	54.6 Å²	54.6	44%	0.439	33%	0.333	S	S	.	.	S	Bend	trans	-108.8	165.5	174.5	-57.8	0	0	0	0	110.7	V22 C23 C26 Q30	V22-C28 WeakPolarHBondContact CA-O 3.47Å; C23-C28 PolarHBondContact N-O 3.33Å; C26-C28 PolarHBondContact O-N 3.01Å; C26-C28 PolarHBondContact O-SG 3.4Å; C28-Q30 PolarHBondContact O-N 3.45Å
29	P	88.8	Confident	90.4	Very high	81 Å²	81	53.4 Å²	53.4	53%	0.526	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-46.9	135	164.5	-27.8	36.3	0	0	0	110.8	I20	I20-P29 HydrophobicContact CG2-CB 3.8Å; I20-P29 HydrophobicContact CG2-CG 3.99Å
30	Q	88.5	Confident	91.9	Very high	12 Å²	12	53.4 Å²	53.4	6%	0.056	31%	0.314	C	S	.	.			trans	-62.3	147.1	-176.6	-71.2	175.4	3.3	0	0	110.3	L21 V22 C23 C28 P33 M41 C43 Y82	L21-Q30 HydrophobicContact CB-CG 4.29Å; L21-Q30 WeakPolarHBondContact O-CG 3.01Å; L21-Q30 PolarHBondContact O-N 3.29Å; V22-Q30 PolarHBondContact O-NE2 2.88Å; C23-Q30 HydrophobicContact CB-CG 3.74Å; C23-Q30 VanDerWaalsContact N-CG 3.35Å; C28-Q30 PolarHBondContact O-N 3.45Å; Q30-P33 HydrophobicContact CB-CB 3.96Å; Q30-P33 HydrophobicContact CB-CG 4.33Å; Q30-P33 VanDerWaalsContact OE1-CB 3.24Å; Q30-M41 PolarHBondContact OE1-SD 3.39Å; Q30-C43 VanDerWaalsContact CA-SG 3.59Å; Q30-Y82 PolarHBondContact O-OH 2.65Å
31	Y	87	Confident	92.7	Very high	41 Å²	41	50 Å²	50	16%	0.161	30%	0.296	C	S	.	.	S	Bend	trans	-132.8	118.4	177.4	-170.1	-101.6	0	0	0	108.6	C43 F44 T86 D112 A113 I172	Y31-C43 PolarHBondContact N-SG 2.96Å; Y31-C43 WeakPolarHBondContact O-CA 3.45Å; Y31-C43 WeakPolarHBondContact O-CB 3.36Å; Y31-F44 PolarHBondContact O-N 2.55Å; Y31-T86 HydrophobicContact CE2-CG2 3.88Å; Y31-T86 WeakPolarHBondContact OH-CG2 3.2Å; Y31-D112 HydrophobicContact CD1-CB 4Å; Y31-D112 HydrophobicContact CE1-CB 3.53Å; Y31-A113 HydrophobicContact CE2-CB 4.2Å; Y31-I172 HydrophobicContact CE1-CG2 4.18Å; Y31-I172 WeakPolarHBondContact OH-CG2 3.32Å
32	F	89.4	Confident	93.2	Very high	23 Å²	23	46.6 Å²	46.6	10%	0.101	28%	0.278	C	S	.	.	S	Bend	trans	44.7	68.1	-162.6	-57.9	-57	0	0	0	111.9	V34 F44 V75 T86 I172 V175 W182	F32-V34 PolarHBondContact O-N 3.32Å; F32-F44 HydrophobicContact CB-CB 3.98Å; F32-F44 WeakPolarHBondContact O-CB 3.25Å; F32-F44 PolarHBondContact O-N 3.43Å; F32-V75 HydrophobicContact CB-CG1 3.88Å; F32-V75 HydrophobicContact CB-CG2 4.36Å; F32-V75 HydrophobicContact CD1-CG1 4.19Å; F32-T86 HydrophobicContact CZ-CG2 4.04Å; F32-I172 HydrophobicContact CE2-CB 3.7Å; F32-I172 HydrophobicContact CE2-CD1 4.3Å; F32-I172 HydrophobicContact CE2-CG2 3.75Å; F32-I172 HydrophobicContact CZ-CB 3.95Å; F32-I172 HydrophobicContact CZ-CD1 3.72Å; F32-I172 HydrophobicContact CZ-CG1 4.45Å; F32-I172 HydrophobicContact CZ-CG2 4.28Å; F32-V175 HydrophobicContact CB-CG2 3.89Å; F32-V175 HydrophobicContact CD1-CG1 4.31Å; F32-V175 HydrophobicContact CD2-CB 4.19Å; F32-V175 HydrophobicContact CD2-CG2 3.86Å; F32-V175 HydrophobicContact CG-CB 4.28Å; F32-V175 HydrophobicContact CG-CG1 4.27Å; F32-V175 HydrophobicContact CG-CG2 3.91Å; F32-W182 AromaticContact CD1-CH2 3.64Å; F32-W182 HydrophobicContact CD1-CH2 3.64Å; F32-W182 AromaticContact CD1-CZ3 3.97Å; F32-W182 HydrophobicContact CD1-CZ3 3.97Å; F32-W182 AromaticContact CE1-CH2 3.74Å; F32-W182 HydrophobicContact CE1-CH2 3.74Å; F32-W182 HydrophobicContact CE1-CZ3 4.35Å
33	P	92.4	Very high	93.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	126	-176.2	19.5	-25.5	0	0	0	111.9	Q30 M41 F42 V75 Y76	Q30-P33 HydrophobicContact CB-CB 3.96Å; Q30-P33 HydrophobicContact CB-CG 4.33Å; Q30-P33 VanDerWaalsContact OE1-CB 3.24Å; P33-M41 HydrophobicContact CB-CG 3.68Å; P33-M41 HydrophobicContact CB-SD 3.56Å; P33-M41 VanDerWaalsContact CB-SD 3.56Å; P33-M41 HydrophobicContact CG-SD 4.32Å; P33-F42 CarbonylContact C-O 3.49Å; P33-F42 VanDerWaalsContact CA-O 3.31Å; P33-F42 WeakPolarHBondContact CA-O 3.22Å; P33-V75 CarbonylContact O-C 3.56Å; P33-V75 VanDerWaalsContact O-CA 3.28Å; P33-V75 WeakPolarHBondContact O-CA 3.39Å; P33-Y76 HydrophobicContact CG-CD1 4.38Å; P33-Y76 VanDerWaalsContact CG-O 3.25Å; P33-Y76 WeakPolarHBondContact CG-O 3.33Å; P33-Y76 PolarHBondContact O-N 3.43Å
34	V	93.7	Very high	93.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128	176.9	179.4	0	0	0	0	109.5	F32 M41 F42 F44 I47 P73 V75	F32-V34 PolarHBondContact O-N 3.32Å; V34-M41 WeakPolarHBondContact O-CA 3.32Å; V34-F42 PolarHBondContact N-O 2.88Å; V34-F42 PolarHBondContact O-N 2.82Å; V34-F44 HydrophobicContact CG2-CB 4.03Å; V34-F44 HydrophobicContact CG2-CD2 3.86Å; V34-F44 HydrophobicContact CG2-CG 4.46Å; V34-I47 HydrophobicContact CB-CG2 4.14Å; V34-I47 HydrophobicContact CG2-CG2 4.25Å; V34-P73 HydrophobicContact CG1-CB 4.46Å; V34-P73 HydrophobicContact CG2-CB 3.92Å; V34-V75 HydrophobicContact CG2-CG2 4.3Å
35	V	93.5	Very high	93.4	Very high	40 Å²	40	42.3 Å²	42.3	24%	0.242	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.1	173.7	-174	0	0	0	0	109.6	M41 K74 I183	V35-M41 HydrophobicContact CG2-CE 3.51Å; V35-M41 HydrophobicContact CG2-CG 4.12Å; V35-M41 HydrophobicContact CG2-SD 4.47Å; V35-K74 PolarHBondContact N-O 3.05Å; V35-I183 HydrophobicContact CB-CD1 4.33Å; V35-I183 HydrophobicContact CG2-CD1 4.07Å
36	L	95.5	Very high	93.4	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-80.7	161.9	174.4	-64.7	-174.6	0	0	0	111.7	C38 S39 H40 F42 I47 C58 F65 C69	L36-C38 PolarHBondContact O-N 2.85Å; L36-S39 WeakPolarHBondContact O-CA 3.48Å; L36-S39 PolarHBondContact O-N 2.78Å; L36-H40 PolarHBondContact N-O 3.09Å; L36-F42 HydrophobicContact CD1-CD2 4.03Å; L36-F42 HydrophobicContact CD1-CE2 3.62Å; L36-F42 HydrophobicContact CG-CD2 4.27Å; L36-F42 HydrophobicContact CG-CE2 4.22Å; L36-I47 HydrophobicContact CD1-CD1 3.74Å; L36-I47 HydrophobicContact CD1-CG1 4.4Å; L36-I47 HydrophobicContact CD2-CD1 4.11Å; L36-I47 HydrophobicContact CD2-CG1 3.87Å; L36-I47 HydrophobicContact CG-CD1 4.32Å; L36-I47 HydrophobicContact CG-CG1 4.46Å; L36-C58 HydrophobicContact CD1-CB 3.81Å; L36-F65 HydrophobicContact CD1-CD1 3.83Å; L36-F65 HydrophobicContact CD1-CE1 4.28Å; L36-F65 HydrophobicContact CD1-CG 4.34Å; L36-F65 HydrophobicContact CD2-CB 3.96Å; L36-F65 HydrophobicContact CD2-CD1 4.04Å; L36-F65 HydrophobicContact CD2-CD2 4.06Å; L36-F65 HydrophobicContact CD2-CG 3.77Å; L36-C69 HydrophobicContact CD2-CB 4.08Å
37	P	95.6	Very high	93.5	Very high	95 Å²	95	37.6 Å²	37.6	62%	0.617	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.9	173.6	-26.1	35.1	0	0	0	114.5	S39 P66	P37-S39 PolarHBondContact O-N 2.9Å; P37-P66 HydrophobicContact CG-CG 4.38Å
38	C	96.7	Very high	93.7	Very high	30 Å²	30	34.5 Å²	34.5	20%	0.203	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	18.6	174	66.1	0	0	0	0	113.6	L36 H40 C58	L36-C38 PolarHBondContact O-N 2.85Å; C38-H40 PolarHBondContact O-N 3.47Å; C38-H40 PolarHBondContact O-ND1 2.68Å; C38-C58 VanDerWaalsContact SG-SG 3.63Å
39	S	94.5	Very high	94	Very high	99 Å²	99	31.6 Å²	31.6	69%	0.692	18%	0.182	S	C	*	.	S	Bend	trans	60.2	-2.6	-179.1	70.5	0	0	0	0	117.8	L36 P37	L36-S39 WeakPolarHBondContact O-CA 3.48Å; L36-S39 PolarHBondContact O-N 2.78Å; P37-S39 PolarHBondContact O-N 2.9Å
40	H	95.7	Very high	94.3	Very high	60 Å²	60	28.3 Å²	28.3	28%	0.278	16%	0.162	S	C	.	.			trans	-74	147.1	172.7	-64.9	107.6	0	0	0	112.1	L36 C38 F42 L60 C61	L36-H40 PolarHBondContact N-O 3.09Å; C38-H40 PolarHBondContact O-N 3.47Å; C38-H40 PolarHBondContact O-ND1 2.68Å; H40-F42 HydrophobicContact CB-CE2 3.58Å; H40-F42 HydrophobicContact CB-CZ 3.82Å; H40-L60 HydrophobicContact CB-CD1 4.13Å; H40-L60 WeakPolarHBondContact CD2-CD1 3.45Å; H40-C61 PolarHBondContact ND1-SG 3.03Å
41	M	94.5	Very high	94.7	Very high	38 Å²	38	27.9 Å²	27.9	19%	0.187	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.5	-173.6	-164.5	-173.5	-69	0	0	111.5	L21 Q30 P33 V34 V35 Y76	L21-M41 HydrophobicContact CD1-CE 4.33Å; L21-M41 HydrophobicContact CD1-SD 3.74Å; Q30-M41 PolarHBondContact OE1-SD 3.39Å; P33-M41 HydrophobicContact CB-CG 3.68Å; P33-M41 HydrophobicContact CB-SD 3.56Å; P33-M41 VanDerWaalsContact CB-SD 3.56Å; P33-M41 HydrophobicContact CG-SD 4.32Å; V34-M41 WeakPolarHBondContact O-CA 3.32Å; V35-M41 HydrophobicContact CG2-CE 3.51Å; V35-M41 HydrophobicContact CG2-CG 4.12Å; V35-M41 HydrophobicContact CG2-SD 4.47Å; M41-Y76 HydrophobicContact CE-CD1 3.48Å; M41-Y76 VanDerWaalsContact CE-CD1 3.48Å; M41-Y76 HydrophobicContact CE-CD2 3.99Å; M41-Y76 HydrophobicContact CE-CE1 4.02Å; M41-Y76 HydrophobicContact CE-CE2 4.45Å; M41-Y76 HydrophobicContact CE-CG 3.51Å; M41-Y76 HydrophobicContact SD-CD1 3.8Å; M41-Y76 HydrophobicContact SD-CG 4.15Å
42	F	96	Very high	94.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	159.1	-176.5	-52.5	-88.5	0	0	0	110.4	P24 V25 P33 V34 L36 H40 I47 P59 L60	P24-F42 HydrophobicContact CG-CD1 3.51Å; P24-F42 HydrophobicContact CG-CE1 3.35Å; P24-F42 HydrophobicContact CG-CZ 4.36Å; V25-F42 HydrophobicContact CG2-CD1 3.6Å; V25-F42 HydrophobicContact CG2-CE1 3.97Å; P33-F42 CarbonylContact C-O 3.49Å; P33-F42 VanDerWaalsContact CA-O 3.31Å; P33-F42 WeakPolarHBondContact CA-O 3.22Å; V34-F42 PolarHBondContact N-O 2.88Å; V34-F42 PolarHBondContact O-N 2.82Å; L36-F42 HydrophobicContact CD1-CD2 4.03Å; L36-F42 HydrophobicContact CD1-CE2 3.62Å; L36-F42 HydrophobicContact CG-CD2 4.27Å; L36-F42 HydrophobicContact CG-CE2 4.22Å; H40-F42 HydrophobicContact CB-CE2 3.58Å; H40-F42 HydrophobicContact CB-CZ 3.82Å; F42-I47 HydrophobicContact CB-CB 4.12Å; F42-I47 HydrophobicContact CD2-CD1 4.01Å; F42-I47 HydrophobicContact CE2-CD1 4.43Å; F42-I47 HydrophobicContact CG-CD1 4.5Å; F42-P59 HydrophobicContact CD1-CG 4.24Å; F42-P59 HydrophobicContact CE1-CB 3.78Å; F42-P59 HydrophobicContact CE1-CG 3.77Å; F42-P59 HydrophobicContact CZ-CB 4.14Å; F42-P59 HydrophobicContact CZ-CG 4.03Å; F42-L60 HydrophobicContact CE1-CD1 4.2Å; F42-L60 HydrophobicContact CE1-CG 4Å; F42-L60 HydrophobicContact CZ-CB 4.34Å; F42-L60 HydrophobicContact CZ-CD1 3.99Å; F42-L60 HydrophobicContact CZ-CG 3.88Å
43	C	94.8	Very high	95.1	Very high	9 Å²	9	34.3 Å²	34.3	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	144.6	166.6	-52.4	0	0	0	0	110.9	C23 Q30 Y31 L45 C46 I47	C23-C43 WeakPolarHBondContact CB-SG 3.32Å; C23-C43 PolarHBondContact SG-N 2.7Å; C23-C43 VanDerWaalsContact SG-N 3.43Å; Q30-C43 VanDerWaalsContact CA-SG 3.59Å; Y31-C43 PolarHBondContact N-SG 2.96Å; Y31-C43 WeakPolarHBondContact O-CA 3.45Å; Y31-C43 WeakPolarHBondContact O-CB 3.36Å; C43-L45 VanDerWaalsContact C-N 3.31Å; C43-L45 PolarHBondContact O-N 3.04Å; C43-C46 HydrophobicContact CB-CB 4.04Å; C43-C46 WeakPolarHBondContact O-CB 3.4Å; C43-C46 PolarHBondContact O-N 2.79Å; C43-I47 PolarHBondContact O-N 2.99Å
44	F	95.2	Very high	95.1	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-51.5	-48.1	176.2	176.2	-105.1	0	0	0	112.7	Y31 F32 V34 C46 I47 K48 P73 A173 V175	Y31-F44 PolarHBondContact O-N 2.55Å; F32-F44 HydrophobicContact CB-CB 3.98Å; F32-F44 WeakPolarHBondContact O-CB 3.25Å; F32-F44 PolarHBondContact O-N 3.43Å; V34-F44 HydrophobicContact CG2-CB 4.03Å; V34-F44 HydrophobicContact CG2-CD2 3.86Å; V34-F44 HydrophobicContact CG2-CG 4.46Å; F44-C46 VanDerWaalsContact C-N 3.35Å; F44-C46 PolarHBondContact O-N 2.78Å; F44-I47 VanDerWaalsContact O-CG2 3.26Å; F44-I47 WeakPolarHBondContact O-CG2 3.32Å; F44-I47 PolarHBondContact O-N 3.46Å; F44-K48 HydrophobicContact CE1-CD 3.98Å; F44-K48 HydrophobicContact CZ-CD 4.16Å; F44-K48 WeakPolarHBondContact O-CB 3.3Å; F44-K48 PolarHBondContact O-N 3.09Å; F44-P73 HydrophobicContact CD2-CB 3.98Å; F44-P73 HydrophobicContact CD2-CG 3.99Å; F44-P73 HydrophobicContact CE2-CB 3.98Å; F44-P73 HydrophobicContact CE2-CG 3.7Å; F44-A173 VanDerWaalsContact CE1-O 3.29Å; F44-A173 WeakPolarHBondContact CE1-O 3.44Å; F44-V175 HydrophobicContact CB-CG2 3.84Å; F44-V175 HydrophobicContact CD1-CG2 3.45Å; F44-V175 VanDerWaalsContact CD1-CG2 3.45Å; F44-V175 HydrophobicContact CD2-CG2 3.94Å; F44-V175 HydrophobicContact CE1-CG2 3.93Å; F44-V175 HydrophobicContact CE2-CG2 4.39Å; F44-V175 HydrophobicContact CG-CG2 3.45Å; F44-V175 VanDerWaalsContact CG-CG2 3.45Å; F44-V175 HydrophobicContact CZ-CG2 4.37Å
45	L	95.7	Very high	95.1	Very high	29 Å²	29	38.4 Å²	38.4	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-35.3	179.4	-71.1	-177.3	0	0	0	112.9	C43 G49 D112 A135 A173	C43-L45 VanDerWaalsContact C-N 3.31Å; C43-L45 PolarHBondContact O-N 3.04Å; L45-G49 PolarHBondContact O-N 3.37Å; L45-D112 HydrophobicContact CD1-CB 4.26Å; L45-A135 HydrophobicContact CD2-CB 4.3Å; L45-A135 WeakPolarHBondContact O-CA 3.35Å; L45-A173 HydrophobicContact CD1-CB 4.02Å; L45-A173 HydrophobicContact CD2-CB 4.11Å; L45-A173 HydrophobicContact CG-CB 4.13Å
46	C	96.7	Very high	95.3	Very high	22 Å²	22	40.5 Å²	40.5	15%	0.149	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-47.7	177	-70.1	0	0	0	0	111.3	V25 C43 F44 K48 G49 A50	V25-C46 HydrophobicContact CB-CB 3.82Å; V25-C46 HydrophobicContact CG1-CB 3.77Å; V25-C46 HydrophobicContact CG2-CB 4.33Å; C43-C46 HydrophobicContact CB-CB 4.04Å; C43-C46 WeakPolarHBondContact O-CB 3.4Å; C43-C46 PolarHBondContact O-N 2.79Å; F44-C46 VanDerWaalsContact C-N 3.35Å; F44-C46 PolarHBondContact O-N 2.78Å; C46-K48 VanDerWaalsContact C-N 3.33Å; C46-K48 PolarHBondContact O-N 2.82Å; C46-G49 PolarHBondContact O-N 2.99Å; C46-A50 PolarHBondContact O-N 3.45Å
47	I	96.8	Very high	95.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70.2	-33.3	-180	-166.4	57.9	0	0	0	112.1	V34 L36 F42 C43 F44 A50 A51 F65 I70	V34-I47 HydrophobicContact CB-CG2 4.14Å; V34-I47 HydrophobicContact CG2-CG2 4.25Å; L36-I47 HydrophobicContact CD1-CD1 3.74Å; L36-I47 HydrophobicContact CD1-CG1 4.4Å; L36-I47 HydrophobicContact CD2-CD1 4.11Å; L36-I47 HydrophobicContact CD2-CG1 3.87Å; L36-I47 HydrophobicContact CG-CD1 4.32Å; L36-I47 HydrophobicContact CG-CG1 4.46Å; F42-I47 HydrophobicContact CB-CB 4.12Å; F42-I47 HydrophobicContact CD2-CD1 4.01Å; F42-I47 HydrophobicContact CE2-CD1 4.43Å; F42-I47 HydrophobicContact CG-CD1 4.5Å; C43-I47 PolarHBondContact O-N 2.99Å; F44-I47 VanDerWaalsContact O-CG2 3.26Å; F44-I47 WeakPolarHBondContact O-CG2 3.32Å; F44-I47 PolarHBondContact O-N 3.46Å; I47-A50 HydrophobicContact CD1-CB 4.28Å; I47-A50 PolarHBondContact O-N 2.93Å; I47-A51 PolarHBondContact O-N 3.39Å; I47-F65 HydrophobicContact CD1-CD1 4.34Å; I47-F65 HydrophobicContact CD1-CE1 3.51Å; I47-F65 HydrophobicContact CD1-CE2 4.46Å; I47-F65 HydrophobicContact CD1-CZ 3.59Å; I47-F65 HydrophobicContact CG1-CE1 4.18Å; I47-F65 HydrophobicContact CG1-CE2 4.26Å; I47-F65 HydrophobicContact CG1-CZ 3.8Å; I47-I70 HydrophobicContact CG1-CD1 4.31Å; I47-I70 HydrophobicContact CG2-CD1 3.89Å
48	K	96.7	Very high	95.5	Very high	70 Å²	70	40 Å²	40	30%	0.304	24%	0.237	S	C	.	.	H	α-helix	trans	-62	-42.9	170.6	-175.4	174.9	-177.4	178.4	0	111.8	F44 C46 A51 V52 I70 A135	F44-K48 HydrophobicContact CE1-CD 3.98Å; F44-K48 HydrophobicContact CZ-CD 4.16Å; F44-K48 WeakPolarHBondContact O-CB 3.3Å; F44-K48 PolarHBondContact O-N 3.09Å; C46-K48 VanDerWaalsContact C-N 3.33Å; C46-K48 PolarHBondContact O-N 2.82Å; K48-A51 WeakPolarHBondContact O-CB 3.36Å; K48-A51 PolarHBondContact O-N 3.44Å; K48-V52 PolarHBondContact O-N 2.98Å; K48-I70 HydrophobicContact CB-CD1 4.22Å; K48-I70 HydrophobicContact CB-CG2 4.32Å; K48-I70 HydrophobicContact CD-CG2 4.28Å; K48-I70 HydrophobicContact CG-CG2 3.89Å; K48-A135 HydrophobicContact CB-CB 4.33Å; K48-A135 HydrophobicContact CD-CB 4.14Å; K48-A135 HydrophobicContact CG-CB 4.08Å
49	G	96	Very high	95.5	Very high	5 Å²	5	41.2 Å²	41.2	5%	0.052	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-43.3	173.6	0	0	0	0	0	112.5	L45 C46 A51 V52 S53 A135	L45-G49 PolarHBondContact O-N 3.37Å; C46-G49 PolarHBondContact O-N 2.99Å; G49-A51 VanDerWaalsContact C-N 3.3Å; G49-A51 PolarHBondContact O-N 2.97Å; G49-V52 PolarHBondContact O-N 3.45Å; G49-S53 PolarHBondContact O-N 2.88Å; G49-S53 PolarHBondContact O-OG 3.18Å; G49-S53 VanDerWaalsContact O-OG 3.06Å; G49-A135 VanDerWaalsContact CA-C 3.48Å; G49-A135 WeakPolarHBondContact CA-O 3.24Å
50	A	95.6	Very high	95.6	Very high	11 Å²	11	41 Å²	41	9%	0.091	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-35.8	174.9	0	0	0	0	0	112.5	C46 I47 V52 S54 P59	C46-A50 PolarHBondContact O-N 3.45Å; I47-A50 HydrophobicContact CD1-CB 4.28Å; I47-A50 PolarHBondContact O-N 2.93Å; A50-V52 VanDerWaalsContact C-N 3.32Å; A50-V52 PolarHBondContact O-N 3.28Å; A50-S54 WeakPolarHBondContact O-CA 3.25Å; A50-S54 WeakPolarHBondContact O-CB 3.45Å; A50-S54 PolarHBondContact O-N 2.91Å; A50-S54 PolarHBondContact O-OG 2.82Å; A50-P59 HydrophobicContact CB-CG 3.9Å
51	A	95.9	Very high	95.7	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-44.6	174.9	0	0	0	0	0	111.7	I47 K48 G49 G55 Y56 F65 I70	I47-A51 PolarHBondContact O-N 3.39Å; K48-A51 WeakPolarHBondContact O-CB 3.36Å; K48-A51 PolarHBondContact O-N 3.44Å; G49-A51 VanDerWaalsContact C-N 3.3Å; G49-A51 PolarHBondContact O-N 2.97Å; A51-G55 WeakPolarHBondContact O-CA 3.49Å; A51-G55 PolarHBondContact O-N 2.73Å; A51-Y56 HydrophobicContact CB-CD1 3.71Å; A51-Y56 HydrophobicContact CB-CD2 4.43Å; A51-Y56 HydrophobicContact CB-CE1 3.66Å; A51-Y56 HydrophobicContact CB-CE2 4.39Å; A51-Y56 HydrophobicContact CB-CG 4.1Å; A51-Y56 PolarHBondContact O-N 3.3Å; A51-F65 HydrophobicContact CB-CE2 4.18Å; A51-F65 HydrophobicContact CB-CZ 3.96Å; A51-I70 HydrophobicContact CB-CD1 4.31Å; A51-I70 HydrophobicContact CB-CG1 4Å
52	V	91.5	Very high	95.8	Very high	98 Å²	98	48.5 Å²	48.5	59%	0.594	27%	0.267	S	S	*	.	H	α-helix	trans	-70	-45.8	178.7	176.9	0	0	0	0	111.8	K48 G49 A50	K48-V52 PolarHBondContact O-N 2.98Å; G49-V52 PolarHBondContact O-N 3.45Å; A50-V52 VanDerWaalsContact C-N 3.32Å; A50-V52 PolarHBondContact O-N 3.28Å
53	S	93.1	Very high	95.9	Very high	101 Å²	101	51.1 Å²	51.1	71%	0.706	29%	0.285	S	S	*	.	H	α-helix	trans	-85.1	-31.7	-171.7	65.5	0	0	0	0	114.4	G49	G49-S53 PolarHBondContact O-N 2.88Å; G49-S53 PolarHBondContact O-OG 3.18Å; G49-S53 VanDerWaalsContact O-OG 3.06Å
54	S	92.8	Very high	96	Very high	46 Å²	46	60.4 Å²	60.4	32%	0.322	32%	0.319	S	S	.	.	H	α-helix	trans	-116.6	1.4	-172.1	76.7	0	0	0	0	114.4	A50 K57	A50-S54 WeakPolarHBondContact O-CA 3.25Å; A50-S54 WeakPolarHBondContact O-CB 3.45Å; A50-S54 PolarHBondContact O-N 2.91Å; A50-S54 PolarHBondContact O-OG 2.82Å; S54-K57 WeakPolarHBondContact O-CD 3.48Å
55	G	95	Very high	96.1	Very high	42 Å²	42	60.7 Å²	60.7	43%	0.433	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	54.5	176.4	0	0	0	0	0	113	A51 K57	A51-G55 WeakPolarHBondContact O-CA 3.49Å; A51-G55 PolarHBondContact O-N 2.73Å; G55-K57 PolarHBondContact O-N 2.73Å
56	Y	96.5	Very high	96.1	Very high	84 Å²	84	62.4 Å²	62.4	33%	0.329	33%	0.333	S	S	.	.	S	Bend	trans	56.9	46.7	176.3	-60.6	-99	0	0	0	114.1	A51 R64 F65 I67 I70	A51-Y56 HydrophobicContact CB-CD1 3.71Å; A51-Y56 HydrophobicContact CB-CD2 4.43Å; A51-Y56 HydrophobicContact CB-CE1 3.66Å; A51-Y56 HydrophobicContact CB-CE2 4.39Å; A51-Y56 HydrophobicContact CB-CG 4.1Å; A51-Y56 PolarHBondContact O-N 3.3Å; Y56-R64 CarbonylContact O-C 3.59Å; Y56-R64 VanDerWaalsContact O-CA 3.26Å; Y56-R64 WeakPolarHBondContact O-CA 2.94Å; Y56-F65 WeakPolarHBondContact CB-O 3.4Å; Y56-F65 HydrophobicContact CD1-CD2 4.07Å; Y56-F65 AromaticContact CD1-CE2 3.58Å; Y56-F65 HydrophobicContact CD1-CE2 3.58Å; Y56-F65 HydrophobicContact CD1-CZ 4.23Å; Y56-F65 HydrophobicContact CE1-CE2 4.48Å; Y56-F65 HydrophobicContact CG-CE2 4.27Å; Y56-F65 WeakPolarHBondContact O-CD1 3.37Å; Y56-F65 PolarHBondContact O-N 2.89Å; Y56-I67 HydrophobicContact CE1-CB 4.14Å; Y56-I67 HydrophobicContact CE1-CG1 4.01Å; Y56-I70 HydrophobicContact CE1-CG1 4.17Å
57	K	97.6	Very high	96	Very high	87 Å²	87	66.1 Å²	66.1	38%	0.378	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-114.1	138.1	175.6	-66.4	176.4	-172.7	167.8	0	110.8	S54 G55 P59 R64 F65	S54-K57 WeakPolarHBondContact O-CD 3.48Å; G55-K57 PolarHBondContact O-N 2.73Å; K57-P59 WeakPolarHBondContact O-CD 3.26Å; K57-R64 HydrophobicContact CG-CG 4.29Å; K57-F65 VanDerWaalsContact C-CE1 3.47Å; K57-F65 WeakPolarHBondContact O-CE1 3.34Å
58	C	97.8	Very high	95.8	Very high	2 Å²	2	70.8 Å²	70.8	1%	0.014	38%	0.376	C	S	.	.			trans	-58.3	126.6	173.7	175.6	0	0	0	0	110.3	L36 C38 L60 R62 S63	L36-C58 HydrophobicContact CD1-CB 3.81Å; C38-C58 VanDerWaalsContact SG-SG 3.63Å; C58-L60 PolarHBondContact O-N 2.81Å; C58-L60 PolarHBondContact SG-N 2.91Å; C58-L60 VanDerWaalsContact SG-N 3.4Å; C58-R62 WeakPolarHBondContact O-CA 3.35Å; C58-R62 PolarHBondContact O-N 3.37Å; C58-S63 WeakPolarHBondContact CB-O 3.45Å; C58-S63 PolarHBondContact N-O 2.78Å
59	P	97.2	Very high	95.7	Very high	56 Å²	56	68.2 Å²	68.2	36%	0.364	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-26.8	176.3	-28.2	34.8	0	0	0	114.9	V25 F42 A50 K57	V25-P59 HydrophobicContact CG2-CB 3.87Å; V25-P59 HydrophobicContact CG2-CG 3.77Å; F42-P59 HydrophobicContact CD1-CG 4.24Å; F42-P59 HydrophobicContact CE1-CB 3.78Å; F42-P59 HydrophobicContact CE1-CG 3.77Å; F42-P59 HydrophobicContact CZ-CB 4.14Å; F42-P59 HydrophobicContact CZ-CG 4.03Å; A50-P59 HydrophobicContact CB-CG 3.9Å; K57-P59 WeakPolarHBondContact O-CD 3.26Å
60	L	97.3	Very high	95.6	Very high	93 Å²	93	69.1 Å²	69.1	49%	0.487	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-60	-178.1	-69.4	176.4	0	0	0	112.9	P24 H40 F42 C58	P24-L60 HydrophobicContact CB-CD1 4.35Å; P24-L60 HydrophobicContact CB-CD2 4.08Å; P24-L60 HydrophobicContact CB-CG 4.47Å; P24-L60 HydrophobicContact CG-CD1 3.93Å; P24-L60 HydrophobicContact CG-CD2 4.39Å; P24-L60 HydrophobicContact CG-CG 4.24Å; H40-L60 HydrophobicContact CB-CD1 4.13Å; H40-L60 WeakPolarHBondContact CD2-CD1 3.45Å; F42-L60 HydrophobicContact CE1-CD1 4.2Å; F42-L60 HydrophobicContact CE1-CG 4Å; F42-L60 HydrophobicContact CZ-CB 4.34Å; F42-L60 HydrophobicContact CZ-CD1 3.99Å; F42-L60 HydrophobicContact CZ-CG 3.88Å; C58-L60 PolarHBondContact O-N 2.81Å; C58-L60 PolarHBondContact SG-N 2.91Å; C58-L60 VanDerWaalsContact SG-N 3.4Å
61	C	97.8	Very high	95.4	Very high	54 Å²	54	72.4 Å²	72.4	37%	0.365	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-3.1	-174.3	66.3	0	0	0	0	114.7	H40 S63	H40-C61 PolarHBondContact ND1-SG 3.03Å; C61-S63 PolarHBondContact O-N 2.85Å; C61-S63 VanDerWaalsContact SG-CB 3.56Å; C61-S63 PolarHBondContact SG-OG 2.89Å
62	R	96.6	Very high	95.1	Very high	203 Å²	203	76.1 Å²	76.1	77%	0.766	41%	0.411	S	S	*	.			trans	62.1	5.2	-177.3	-52.5	-179.2	178	176.1	-0.7	115.7	C58	C58-R62 WeakPolarHBondContact O-CA 3.35Å; C58-R62 PolarHBondContact O-N 3.37Å
63	S	97.3	Very high	95	Very high	55 Å²	55	71.7 Å²	71.7	39%	0.385	39%	0.385	S	S	.	.			trans	-56.3	138.3	169.6	-58.8	0	0	0	0	110.2	C58 C61	C58-S63 WeakPolarHBondContact CB-O 3.45Å; C58-S63 PolarHBondContact N-O 2.78Å; C61-S63 PolarHBondContact O-N 2.85Å; C61-S63 VanDerWaalsContact SG-CB 3.56Å; C61-S63 PolarHBondContact SG-OG 2.89Å
64	R	97.4	Very high	94.7	Very high	203 Å²	203	72.8 Å²	72.8	77%	0.766	38%	0.376	S	S	*	.	B	Isolated β-bridge	trans	-70.7	147.2	174.2	-69	-173.9	178.2	-156.3	-0.1	110.3	Y56 K57	Y56-R64 CarbonylContact O-C 3.59Å; Y56-R64 VanDerWaalsContact O-CA 3.26Å; Y56-R64 WeakPolarHBondContact O-CA 2.94Å; K57-R64 HydrophobicContact CG-CG 4.29Å
65	F	96.3	Very high	94.5	Very high	11 Å²	11	70.6 Å²	70.6	5%	0.048	36%	0.361	C	S	.	.			trans	-125.7	151.5	172.5	61.4	-96.7	0	0	0	110.5	L36 I47 A51 Y56 K57 C69 I70	L36-F65 HydrophobicContact CD1-CD1 3.83Å; L36-F65 HydrophobicContact CD1-CE1 4.28Å; L36-F65 HydrophobicContact CD1-CG 4.34Å; L36-F65 HydrophobicContact CD2-CB 3.96Å; L36-F65 HydrophobicContact CD2-CD1 4.04Å; L36-F65 HydrophobicContact CD2-CD2 4.06Å; L36-F65 HydrophobicContact CD2-CG 3.77Å; I47-F65 HydrophobicContact CD1-CD1 4.34Å; I47-F65 HydrophobicContact CD1-CE1 3.51Å; I47-F65 HydrophobicContact CD1-CE2 4.46Å; I47-F65 HydrophobicContact CD1-CZ 3.59Å; I47-F65 HydrophobicContact CG1-CE1 4.18Å; I47-F65 HydrophobicContact CG1-CE2 4.26Å; I47-F65 HydrophobicContact CG1-CZ 3.8Å; A51-F65 HydrophobicContact CB-CE2 4.18Å; A51-F65 HydrophobicContact CB-CZ 3.96Å; Y56-F65 WeakPolarHBondContact CB-O 3.4Å; Y56-F65 HydrophobicContact CD1-CD2 4.07Å; Y56-F65 AromaticContact CD1-CE2 3.58Å; Y56-F65 HydrophobicContact CD1-CE2 3.58Å; Y56-F65 HydrophobicContact CD1-CZ 4.23Å; Y56-F65 HydrophobicContact CE1-CE2 4.48Å; Y56-F65 HydrophobicContact CG-CE2 4.27Å; Y56-F65 WeakPolarHBondContact O-CD1 3.37Å; Y56-F65 PolarHBondContact O-N 2.89Å; K57-F65 VanDerWaalsContact C-CE1 3.47Å; K57-F65 WeakPolarHBondContact O-CE1 3.34Å; F65-C69 HydrophobicContact CD2-CB 3.8Å; F65-C69 HydrophobicContact CE2-CB 4.35Å; F65-I70 HydrophobicContact CE2-CD1 4.15Å; F65-I70 HydrophobicContact CE2-CG1 4.13Å
66	P	95.9	Very high	94.1	Very high	65 Å²	65	71 Å²	71	42%	0.422	35%	0.35	S	S	.	.			trans	-71.1	157.6	-179.2	29.6	-35	0	0	0	111.9	P37 D68 C69	P37-P66 HydrophobicContact CG-CG 4.38Å; P66-D68 PolarHBondContact O-N 2.92Å; P66-D68 VanDerWaalsContact O-N 3.15Å; P66-C69 WeakPolarHBondContact O-CB 3.48Å; P66-C69 PolarHBondContact O-N 2.67Å; P66-C69 VanDerWaalsContact O-N 3.14Å
67	I	94.9	Very high	93.1	Very high	100 Å²	100	68 Å²	68	51%	0.513	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.6	175.9	-171.1	166.9	0	0	0	112.8	Y56 C69 I70 S71	Y56-I67 HydrophobicContact CE1-CB 4.14Å; Y56-I67 HydrophobicContact CE1-CG1 4.01Å; I67-C69 PolarHBondContact O-N 3.25Å; I67-I70 WeakPolarHBondContact O-CA 3.22Å; I67-I70 WeakPolarHBondContact O-CB 3.11Å; I67-I70 PolarHBondContact O-N 3.4Å; I67-S71 PolarHBondContact O-N 3.41Å; I67-S71 PolarHBondContact O-OG 2.93Å
68	D	93.4	Very high	91.4	Very high	98 Å²	98	66.2 Å²	66.2	52%	0.524	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-26.5	179.5	-67.3	-7.8	0	0	0	113.3	P66 I70 S71 N72	P66-D68 PolarHBondContact O-N 2.92Å; P66-D68 VanDerWaalsContact O-N 3.15Å; D68-I70 PolarHBondContact O-N 2.73Å; D68-S71 VanDerWaalsContact CA-OG 3.3Å; D68-S71 WeakPolarHBondContact CA-OG 3.16Å; D68-S71 PolarHBondContact OD1-OG 3.3Å; D68-N72 CarbonylContact O-C 3.03Å; D68-N72 WeakPolarHBondContact O-CA 3.46Å; D68-N72 PolarHBondContact O-N 3.19Å
69	C	93.1	Very high	89.6	Confident	15 Å²	15	69.4 Å²	69.4	10%	0.101	36%	0.36	C	S	.	.	H	α-helix	trans	-61.6	-17.2	172.1	-63.5	0	0	0	0	113.1	L36 F65 P66 I67	L36-C69 HydrophobicContact CD2-CB 4.08Å; F65-C69 HydrophobicContact CD2-CB 3.8Å; F65-C69 HydrophobicContact CE2-CB 4.35Å; P66-C69 WeakPolarHBondContact O-CB 3.48Å; P66-C69 PolarHBondContact O-N 2.67Å; P66-C69 VanDerWaalsContact O-N 3.14Å; I67-C69 PolarHBondContact O-N 3.25Å
70	I	93.8	Very high	87.4	Confident	25 Å²	25	71.8 Å²	71.8	13%	0.128	38%	0.379	C	S	.	.	H	α-helix	trans	-109.6	-42.4	178	-53.1	-54.4	0	0	0	111.8	I47 K48 A51 Y56 F65 I67 D68	I47-I70 HydrophobicContact CG1-CD1 4.31Å; I47-I70 HydrophobicContact CG2-CD1 3.89Å; K48-I70 HydrophobicContact CB-CD1 4.22Å; K48-I70 HydrophobicContact CB-CG2 4.32Å; K48-I70 HydrophobicContact CD-CG2 4.28Å; K48-I70 HydrophobicContact CG-CG2 3.89Å; A51-I70 HydrophobicContact CB-CD1 4.31Å; A51-I70 HydrophobicContact CB-CG1 4Å; Y56-I70 HydrophobicContact CE1-CG1 4.17Å; F65-I70 HydrophobicContact CE2-CD1 4.15Å; F65-I70 HydrophobicContact CE2-CG1 4.13Å; I67-I70 WeakPolarHBondContact O-CA 3.22Å; I67-I70 WeakPolarHBondContact O-CB 3.11Å; I67-I70 PolarHBondContact O-N 3.4Å; D68-I70 PolarHBondContact O-N 2.73Å
71	S	91.9	Very high	85.1	Confident	79 Å²	79	74 Å²	74	55%	0.552	39%	0.391	S	S	*	.	H	α-helix	trans	-77.9	-30.1	-178.5	50.1	0	0	0	0	113.2	I67 D68	I67-S71 PolarHBondContact O-N 3.41Å; I67-S71 PolarHBondContact O-OG 2.93Å; D68-S71 VanDerWaalsContact CA-OG 3.3Å; D68-S71 WeakPolarHBondContact CA-OG 3.16Å; D68-S71 PolarHBondContact OD1-OG 3.3Å
72	N	89.3	Confident	82.7	Confident	81 Å²	81	75.9 Å²	75.9	43%	0.433	39%	0.391	S	S	.	.	S	Bend	trans	-140.6	67.7	177	-173.3	25.1	0	0	0	110.6	D68 A179	D68-N72 CarbonylContact O-C 3.03Å; D68-N72 WeakPolarHBondContact O-CA 3.46Å; D68-N72 PolarHBondContact O-N 3.19Å; N72-A179 PolarHBondContact OD1-O 3.15Å
73	P	90.3	Very high	80.2	Confident	6 Å²	6	71.2 Å²	71.2	4%	0.039	38%	0.381	C	S	.	.			trans	-63	144	-171.6	27.2	-35	0	0	0	112	V34 F44 V75 T180 S181	V34-P73 HydrophobicContact CG1-CB 4.46Å; V34-P73 HydrophobicContact CG2-CB 3.92Å; F44-P73 HydrophobicContact CD2-CB 3.98Å; F44-P73 HydrophobicContact CD2-CG 3.99Å; F44-P73 HydrophobicContact CE2-CB 3.98Å; F44-P73 HydrophobicContact CE2-CG 3.7Å; P73-V75 HydrophobicContact CB-CG2 4.07Å; P73-V75 HydrophobicContact CG-CG2 4.27Å; P73-T180 HydrophobicContact CG-CG2 4.32Å; P73-T180 WeakPolarHBondContact O-CG2 3.34Å; P73-S181 PolarHBondContact O-N 2.72Å; P73-S181 PolarHBondContact O-OG 3.47Å
74	K	87.2	Confident	77.8	Confident	123 Å²	123	70.5 Å²	70.5	54%	0.535	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	103.8	162.4	-73.2	179.5	179.4	-169.2	0	107.6	V35 S181 I183	V35-K74 PolarHBondContact N-O 3.05Å; K74-S181 CarbonylContact C-O 3.36Å; K74-S181 WeakPolarHBondContact CA-O 3.3Å; K74-S181 WeakPolarHBondContact CG-OG 3.48Å; K74-I183 HydrophobicContact CB-CD1 4.25Å
75	V	89.1	Confident	75.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.8	-177	-179.7	0	0	0	0	109.4	F32 P33 V34 P73 V175 T180 S181 W182 I183	F32-V75 HydrophobicContact CB-CG1 3.88Å; F32-V75 HydrophobicContact CB-CG2 4.36Å; F32-V75 HydrophobicContact CD1-CG1 4.19Å; P33-V75 CarbonylContact O-C 3.56Å; P33-V75 VanDerWaalsContact O-CA 3.28Å; P33-V75 WeakPolarHBondContact O-CA 3.39Å; V34-V75 HydrophobicContact CG2-CG2 4.3Å; P73-V75 HydrophobicContact CB-CG2 4.07Å; P73-V75 HydrophobicContact CG-CG2 4.27Å; V75-V175 HydrophobicContact CG2-CG1 4.1Å; V75-T180 HydrophobicContact CB-CG2 3.78Å; V75-T180 HydrophobicContact CG2-CG2 3.42Å; V75-T180 VanDerWaalsContact CG2-CG2 3.42Å; V75-S181 PolarHBondContact N-O 3.05Å; V75-W182 HydrophobicContact CB-CD2 4.5Å; V75-W182 HydrophobicContact CB-CE3 3.76Å; V75-W182 HydrophobicContact CB-CH2 4.36Å; V75-W182 HydrophobicContact CB-CZ3 3.71Å; V75-W182 HydrophobicContact CG1-CE3 3.7Å; V75-W182 HydrophobicContact CG1-CH2 4.07Å; V75-W182 HydrophobicContact CG1-CZ3 3.26Å; V75-W182 VanDerWaalsContact O-CA 3.32Å; V75-W182 WeakPolarHBondContact O-CA 3.48Å; V75-I183 PolarHBondContact O-N 3.17Å
76	Y	85	Confident	73.4	Confident	52 Å²	52	64 Å²	64	20%	0.204	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	133.2	177.5	-176	-105	0	0	0	110.4	L21 P33 M41 P78 I183 E184	L21-Y76 HydrophobicContact CD1-CD1 3.88Å; L21-Y76 HydrophobicContact CD1-CE1 3.68Å; P33-Y76 HydrophobicContact CG-CD1 4.38Å; P33-Y76 VanDerWaalsContact CG-O 3.25Å; P33-Y76 WeakPolarHBondContact CG-O 3.33Å; P33-Y76 PolarHBondContact O-N 3.43Å; M41-Y76 HydrophobicContact CE-CD1 3.48Å; M41-Y76 VanDerWaalsContact CE-CD1 3.48Å; M41-Y76 HydrophobicContact CE-CD2 3.99Å; M41-Y76 HydrophobicContact CE-CE1 4.02Å; M41-Y76 HydrophobicContact CE-CE2 4.45Å; M41-Y76 HydrophobicContact CE-CG 3.51Å; M41-Y76 HydrophobicContact SD-CD1 3.8Å; M41-Y76 HydrophobicContact SD-CG 4.15Å; Y76-P78 HydrophobicContact CD1-CB 4.36Å; Y76-P78 HydrophobicContact CD1-CG 4.09Å; Y76-P78 HydrophobicContact CE1-CB 3.51Å; Y76-P78 HydrophobicContact CE1-CG 3.68Å; Y76-I183 CarbonylContact C-O 3.51Å; Y76-I183 WeakPolarHBondContact CA-O 3.45Å; Y76-I183 HydrophobicContact CD2-CG1 4.22Å; Y76-E184 WeakPolarHBondContact CE2-O 3.4Å; Y76-E184 WeakPolarHBondContact CE2-OXT 3.46Å; Y76-E184 PolarHBondContact OH-OXT 3.08Å; Y76-E184 VanDerWaalsContact OH-OXT 3.09Å
77	C	76.9	Confident	71.3	Confident	21 Å²	21	63.4 Å²	63.4	14%	0.142	36%	0.355	C	S	.	.			trans	-131.4	93	177.9	-168.3	0	0	0	0	108.5	S79 W182 I183	C77-S79 PolarHBondContact O-N 2.85Å; C77-W182 HydrophobicContact CB-CE3 4.26Å; C77-I183 PolarHBondContact N-O 3.48Å
78	P	61.1	Low	69.2	Low	49 Å²	49	64.4 Å²	64.4	32%	0.318	36%	0.358	S	S	.	.	S	Bend	trans	-66.1	-6.3	-168.7	10.9	-17.4	0	0	0	115.5	Y76 Y82	Y76-P78 HydrophobicContact CD1-CB 4.36Å; Y76-P78 HydrophobicContact CD1-CG 4.09Å; Y76-P78 HydrophobicContact CE1-CB 3.51Å; Y76-P78 HydrophobicContact CE1-CG 3.68Å; P78-Y82 HydrophobicContact CG-CD2 4.26Å; P78-Y82 HydrophobicContact CG-CG 4.25Å
79	S	60.7	Low	67.4	Low	68 Å²	68	65.1 Å²	65.1	48%	0.476	36%	0.358	S	S	.	.	S	Bend	trans	-171.7	152.2	175.8	-0.4	0	0	0	0	109.7	C77 N81 Y82	C77-S79 PolarHBondContact O-N 2.85Å; S79-N81 PolarHBondContact O-N 3.35Å; S79-Y82 WeakPolarHBondContact O-CB 3.28Å; S79-Y82 PolarHBondContact O-N 3.12Å
80	S	51.3	Low	65.5	Low	107 Å²	107	67.5 Å²	67.5	75%	0.748	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-16.8	174.4	46.8	0	0	0	0	114.8	N83	S80-N83 PolarHBondContact O-ND2 3.18Å
81	N	47.3	Very low	63.6	Low	139 Å²	139	69.5 Å²	69.5	74%	0.743	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.1	175.5	-80.6	-6.2	0	0	0	115.3	S79 N83	S79-N81 PolarHBondContact O-N 3.35Å; N81-N83 PolarHBondContact O-N 2.81Å
82	Y	48.7	Very low	61.9	Low	93 Å²	93	74.1 Å²	74.1	37%	0.365	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	11.7	175	-161.9	-103.6	0	0	0	113.1	Q30 P78 S79	Q30-Y82 PolarHBondContact O-OH 2.65Å; P78-Y82 HydrophobicContact CG-CD2 4.26Å; P78-Y82 HydrophobicContact CG-CG 4.25Å; S79-Y82 WeakPolarHBondContact O-CB 3.28Å; S79-Y82 PolarHBondContact O-N 3.12Å
83	N	43.9	Very low	60.1	Low	105 Å²	105	77.5 Å²	77.5	56%	0.561	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	9.6	175.9	-76.8	-39.9	0	0	0	114.8	S80 N81	S80-N83 PolarHBondContact O-ND2 3.18Å; N81-N83 PolarHBondContact O-N 2.81Å
84	S	46.8	Very low	58.2	Low	40 Å²	40	82 Å²	82	28%	0.28	46%	0.456	S	S	.	.			trans	-101.3	-19.8	-168.1	179.5	0	0	0	0	116.3	T86 E88	S84-T86 PolarHBondContact O-N 3.37Å; S84-T86 VanDerWaalsContact O-N 3.09Å; S84-E88 VanDerWaalsContact CB-OE2 3.25Å; S84-E88 WeakPolarHBondContact CB-OE2 3.33Å; S84-E88 PolarHBondContact O-N 3.09Å; S84-E88 WeakPolarHBondContact OG-CB 3.38Å; S84-E88 PolarHBondContact OG-OE2 2.95Å
85	C	46	Very low	56.8	Low	59 Å²	59	81 Å²	81	40%	0.399	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	4.7	179.8	-163.5	0	0	0	0	113.5	E89	C85-E89 PolarHBondContact SG-OE2 3.28Å
86	T	54	Low	55.6	Low	20 Å²	20	85.4 Å²	85.4	12%	0.123	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-22.6	-174.7	66.6	0	0	0	0	114.9	Y31 F32 S84 L90 R110 I172	Y31-T86 HydrophobicContact CE2-CG2 3.88Å; Y31-T86 WeakPolarHBondContact OH-CG2 3.2Å; F32-T86 HydrophobicContact CZ-CG2 4.04Å; S84-T86 PolarHBondContact O-N 3.37Å; S84-T86 VanDerWaalsContact O-N 3.09Å; T86-L90 WeakPolarHBondContact O-CD1 3.48Å; T86-R110 PolarHBondContact O-NH2 3.37Å; T86-I172 HydrophobicContact CG2-CD1 4Å
87	D	52	Low	55.6	Low	52 Å²	52	83.9 Å²	83.9	28%	0.278	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.1	-35.2	-173.8	-65.8	-72.6	0	0	0	113	L90 S91 R110 V165	D87-L90 PolarHBondContact O-N 2.89Å; D87-S91 WeakPolarHBondContact O-CB 3.45Å; D87-S91 PolarHBondContact O-N 2.84Å; D87-S91 PolarHBondContact O-OG 3.2Å; D87-R110 IonicContact OD1-CZ 3.82Å; D87-R110 IonicContact OD1-NH1 3.8Å; D87-R110 PolarHBondContact OD1-NH1 3.07Å; D87-R110 IonicContact OD1-NH2 2.89Å; D87-R110 PolarHBondContact OD1-NH2 2.96Å; D87-R110 IonicContact OD2-CZ 3.74Å; D87-R110 IonicContact OD2-NH1 2.87Å; D87-R110 IonicContact OD2-NH2 2.98Å; D87-R110 PolarHBondContact OD2-NH2 3.02Å; D87-V165 HydrophobicContact CB-CG1 4.46Å; D87-V165 WeakPolarHBondContact OD1-CG1 3.47Å
88	E	52.2	Low	56.4	Low	120 Å²	120	84.7 Å²	84.7	56%	0.561	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-34.3	179.8	-73.4	-170.3	163	0	0	113	S84 L90 S91	S84-E88 VanDerWaalsContact CB-OE2 3.25Å; S84-E88 WeakPolarHBondContact CB-OE2 3.33Å; S84-E88 PolarHBondContact O-N 3.09Å; S84-E88 WeakPolarHBondContact OG-CB 3.38Å; S84-E88 PolarHBondContact OG-OE2 2.95Å; E88-L90 PolarHBondContact O-N 3.08Å; E88-S91 WeakPolarHBondContact CA-OG 3.42Å; E88-S91 PolarHBondContact O-N 2.81Å; E88-S91 PolarHBondContact O-OG 2.66Å
89	E	53.8	Low	58	Low	113 Å²	113	82.4 Å²	82.4	53%	0.528	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.5	173.1	-72.4	-176.7	158.1	0	0	112.8	C85	C85-E89 PolarHBondContact SG-OE2 3.28Å
90	L	54.8	Low	59.8	Low	66 Å²	66	79.2 Å²	79.2	35%	0.346	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-20.7	-179.8	-75.8	153.6	0	0	0	112.8	T86 D87 E88 A97 V165	T86-L90 WeakPolarHBondContact O-CD1 3.48Å; D87-L90 PolarHBondContact O-N 2.89Å; E88-L90 PolarHBondContact O-N 3.08Å; L90-A97 HydrophobicContact CB-CB 4.04Å; L90-A97 WeakPolarHBondContact O-CB 3.3Å; L90-V165 HydrophobicContact CB-CG2 4.24Å; L90-V165 HydrophobicContact CD1-CG2 4.17Å
91	S	53.8	Low	62	Low	67 Å²	67	74.1 Å²	74.1	47%	0.469	42%	0.421	S	S	.	.			trans	-106.2	10	-169.5	51.4	0	0	0	0	115.4	D87 E88 E93	D87-S91 WeakPolarHBondContact O-CB 3.45Å; D87-S91 PolarHBondContact O-N 2.84Å; D87-S91 PolarHBondContact O-OG 3.2Å; E88-S91 WeakPolarHBondContact CA-OG 3.42Å; E88-S91 PolarHBondContact O-N 2.81Å; E88-S91 PolarHBondContact O-OG 2.66Å; S91-E93 PolarHBondContact O-N 2.91Å
92	K	55.7	Low	64.4	Low	176 Å²	176	68.9 Å²	68.9	77%	0.765	39%	0.391	S	S	*	.	S	Bend	trans	-63.8	-9.2	-178.4	-78.3	-178.4	179.5	173	0	115.5
93	E	51.6	Low	66.8	Low	151 Å²	151	67.1 Å²	67.1	71%	0.706	39%	0.386	S	S	*	.	S	Bend	trans	-118.6	125.5	174.4	-66.2	179.8	176.4	0	0	107.9	S91 T95	S91-E93 PolarHBondContact O-N 2.91Å; E93-T95 PolarHBondContact O-N 3.14Å; E93-T95 PolarHBondContact O-OG1 3.41Å
94	G	50.3	Low	69.3	Low	100 Å²	100	62.6 Å²	62.6	100%	1.031	36%	0.364	S	S	*	.	S	Bend	trans	-59.7	22.8	-173.3	0	0	0	0	0	117.4
95	T	56.8	Low	71.5	Confident	103 Å²	103	71 Å²	71	63%	0.632	39%	0.39	S	S	*	.	S	Bend	trans	-95.8	139.9	162.7	30	0	0	0	0	110	E93 A97	E93-T95 PolarHBondContact O-N 3.14Å; E93-T95 PolarHBondContact O-OG1 3.41Å; T95-A97 PolarHBondContact O-N 3.49Å
96	S	65.4	Low	73.7	Confident	93 Å²	93	75.4 Å²	75.4	65%	0.65	41%	0.41	S	S	*	.			trans	-52.6	107.6	177.6	-55.3	0	0	0	0	111
97	A	85.1	Confident	75.7	Confident	19 Å²	19	75.7 Å²	75.7	16%	0.157	42%	0.417	C	S	.	.			trans	-56.6	139.1	-178	0	0	0	0	0	111.1	L90 T95 V165	L90-A97 HydrophobicContact CB-CB 4.04Å; L90-A97 WeakPolarHBondContact O-CB 3.3Å; T95-A97 PolarHBondContact O-N 3.49Å; A97-V165 HydrophobicContact CB-CB 4.24Å; A97-V165 HydrophobicContact CB-CG2 3.69Å; A97-V165 WeakPolarHBondContact O-CB 3.34Å; A97-V165 WeakPolarHBondContact O-CG2 3.48Å; A97-V165 PolarHBondContact O-N 3.09Å
98	T	92.4	Very high	77.8	Confident	38 Å²	38	75.8 Å²	75.8	23%	0.233	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.4	179.7	50.6	0	0	0	0	111	R162 D163 L164	T98-R162 PolarHBondContact OG1-NH2 2.86Å; T98-D163 CarbonylContact C-O 3.5Å; T98-D163 VanDerWaalsContact CA-O 3.22Å; T98-D163 WeakPolarHBondContact CA-O 3.19Å; T98-L164 HydrophobicContact CG2-CD2 4.3Å
99	A	95.4	Very high	80	Confident	1 Å²	1	72 Å²	72	1%	0.008	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	165.4	175.3	0	0	0	0	0	111.2	F101 R110 R162 D163 V165	A99-F101 HydrophobicContact CB-CE2 4.03Å; A99-F101 HydrophobicContact CB-CZ 4.26Å; A99-F101 WeakPolarHBondContact O-CD2 3.38Å; A99-F101 VanDerWaalsContact O-CE2 3.26Å; A99-F101 WeakPolarHBondContact O-CE2 3.29Å; A99-R110 HydrophobicContact CB-CG 4.16Å; A99-R162 WeakPolarHBondContact O-CA 3.32Å; A99-D163 PolarHBondContact N-O 2.81Å; A99-D163 PolarHBondContact O-N 3.07Å; A99-D163 VanDerWaalsContact O-O 3.13Å; A99-V165 HydrophobicContact CB-CG2 3.76Å
100	W	97.8	Very high	82	Confident	1 Å²	1	67 Å²	67	0%	0.004	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	142.3	175.4	-69	82.8	0	0	0	111.2	Y111 N116 L119 E120 Y123 L143 M146 V160 K161 R162	W100-Y111 HydrophobicContact CB-CD2 3.61Å; W100-Y111 HydrophobicContact CB-CE2 4.12Å; W100-Y111 WeakPolarHBondContact O-CD2 3.33Å; W100-Y111 PolarHBondContact O-N 3.43Å; W100-N116 WeakPolarHBondContact CB-OD1 3.32Å; W100-N116 PolarHBondContact N-OD1 2.83Å; W100-L119 HydrophobicContact CB-CB 4.34Å; W100-L119 HydrophobicContact CB-CD1 3.7Å; W100-L119 HydrophobicContact CD2-CB 3.85Å; W100-L119 HydrophobicContact CD2-CD1 4.35Å; W100-L119 HydrophobicContact CD2-CD2 4.44Å; W100-L119 HydrophobicContact CD2-CG 4.44Å; W100-L119 HydrophobicContact CE3-CD2 4.4Å; W100-L119 HydrophobicContact CG-CB 3.67Å; W100-L119 HydrophobicContact CG-CD1 3.92Å; W100-L119 HydrophobicContact CG-CG 4.31Å; W100-E120 PolarHBondContact NE1-OE2 3.41Å; W100-Y123 AromaticContact CH2-CD2 3.76Å; W100-Y123 HydrophobicContact CH2-CD2 3.76Å; W100-Y123 HydrophobicContact CH2-CE2 4.4Å; W100-Y123 HydrophobicContact CH2-CG 4.04Å; W100-Y123 HydrophobicContact CZ2-CD1 4.21Å; W100-Y123 AromaticContact CZ2-CD2 3.82Å; W100-Y123 HydrophobicContact CZ2-CD2 3.82Å; W100-Y123 AromaticContact CZ2-CG 3.6Å; W100-Y123 HydrophobicContact CZ2-CG 3.6Å; W100-L143 HydrophobicContact CH2-CD2 3.71Å; W100-L143 HydrophobicContact CZ2-CD2 4.46Å; W100-L143 HydrophobicContact CZ3-CD2 3.91Å; W100-M146 HydrophobicContact CH2-CE 4.26Å; W100-M146 HydrophobicContact CZ3-CE 3.73Å; W100-M146 HydrophobicContact CZ3-SD 4.36Å; W100-V160 HydrophobicContact CZ3-CG2 4.47Å; W100-K161 CarbonylContact C-O 3.51Å; W100-K161 WeakPolarHBondContact CA-O 3.1Å; W100-R162 HydrophobicContact CD2-CB 4.08Å; W100-R162 HydrophobicContact CD2-CG 4.39Å; W100-R162 HydrophobicContact CE3-CB 4.17Å; W100-R162 HydrophobicContact CH2-CB 3.95Å; W100-R162 HydrophobicContact CZ2-CB 3.83Å; W100-R162 HydrophobicContact CZ2-CG 4.01Å; W100-R162 HydrophobicContact CZ3-CB 4.13Å
101	F	98.2	Very high	84	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.4	-179.4	-56.7	-100.6	0	0	0	110.5	A99 W108 W109 R110 V160 K161 D163 L164	A99-F101 HydrophobicContact CB-CE2 4.03Å; A99-F101 HydrophobicContact CB-CZ 4.26Å; A99-F101 WeakPolarHBondContact O-CD2 3.38Å; A99-F101 VanDerWaalsContact O-CE2 3.26Å; A99-F101 WeakPolarHBondContact O-CE2 3.29Å; F101-W108 HydrophobicContact CB-CB 4.28Å; F101-W108 HydrophobicContact CB-CE3 3.98Å; F101-W108 HydrophobicContact CD1-CB 4.41Å; F101-W109 CarbonylContact C-O 3.55Å; F101-W109 WeakPolarHBondContact CA-O 3.35Å; F101-W109 WeakPolarHBondContact CB-O 3.36Å; F101-R110 HydrophobicContact CD1-CB 3.92Å; F101-R110 HydrophobicContact CD1-CG 4.25Å; F101-R110 HydrophobicContact CE1-CB 3.86Å; F101-R110 HydrophobicContact CE1-CG 3.98Å; F101-R110 HydrophobicContact CZ-CG 4.35Å; F101-V160 CarbonylContact O-C 3.49Å; F101-V160 WeakPolarHBondContact O-CA 3.18Å; F101-V160 WeakPolarHBondContact O-CB 3.07Å; F101-K161 HydrophobicContact CB-CG 3.84Å; F101-K161 HydrophobicContact CD2-CG 4.3Å; F101-K161 HydrophobicContact CG-CG 4.44Å; F101-K161 PolarHBondContact N-O 3.26Å; F101-K161 PolarHBondContact O-N 2.91Å; F101-D163 HydrophobicContact CD2-CB 3.93Å; F101-D163 HydrophobicContact CE2-CB 3.74Å; F101-L164 WeakPolarHBondContact CZ-O 3.41Å
102	Y	98.4	Very high	85.9	Confident	30 Å²	30	61.6 Å²	61.6	12%	0.118	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.3	172	63.6	-87.1	0	0	0	111.4	G104 W108 W109 Y111 R159 A173 G174	Y102-G104 PolarHBondContact O-N 3.02Å; Y102-W108 VanDerWaalsContact C-CE3 3.49Å; Y102-W109 HydrophobicContact CD1-CB 4.01Å; Y102-W109 HydrophobicContact CD2-CB 4Å; Y102-W109 HydrophobicContact CD2-CG 4.48Å; Y102-W109 HydrophobicContact CE1-CB 3.5Å; Y102-W109 HydrophobicContact CE1-CG 4.49Å; Y102-W109 HydrophobicContact CE2-CB 3.5Å; Y102-W109 VanDerWaalsContact CE2-CB 3.5Å; Y102-W109 AromaticContact CE2-CD1 3.64Å; Y102-W109 AromaticContact CE2-CG 3.76Å; Y102-W109 HydrophobicContact CE2-CG 3.76Å; Y102-W109 HydrophobicContact CG-CB 4.23Å; Y102-W109 AromaticContact CZ-CG 3.76Å; Y102-W109 PolarHBondContact N-O 3.25Å; Y102-W109 PolarHBondContact O-N 3.01Å; Y102-W109 WeakPolarHBondContact OH-CB 3.45Å; Y102-Y111 AromaticContact CD1-CD1 3.85Å; Y102-Y111 HydrophobicContact CD1-CD1 3.85Å; Y102-Y111 AromaticContact CD1-CD2 3.98Å; Y102-Y111 HydrophobicContact CD1-CD2 3.98Å; Y102-Y111 AromaticContact CD1-CE1 3.76Å; Y102-Y111 HydrophobicContact CD1-CE1 3.76Å; Y102-Y111 AromaticContact CD1-CE2 3.93Å; Y102-Y111 HydrophobicContact CD1-CE2 3.93Å; Y102-Y111 AromaticContact CD1-CG 3.96Å; Y102-Y111 HydrophobicContact CD1-CG 3.96Å; Y102-Y111 AromaticContact CD1-CZ 3.83Å; Y102-Y111 HydrophobicContact CE1-CD1 4.23Å; Y102-Y111 HydrophobicContact CE1-CE1 4.45Å; Y102-Y111 HydrophobicContact CE1-CG 4.43Å; Y102-Y111 HydrophobicContact CG-CE1 4.37Å; Y102-Y111 HydrophobicContact CG-CE2 4.42Å; Y102-R159 WeakPolarHBondContact CA-O 3.31Å; Y102-A173 VanDerWaalsContact OH-C 3.29Å; Y102-A173 WeakPolarHBondContact OH-CA 3.39Å; Y102-G174 PolarHBondContact OH-N 2.63Å
103	E	98.1	Very high	87.5	Confident	56 Å²	56	54.5 Å²	54.5	26%	0.262	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130	-177.2	-177.2	171.6	-146.7	0	0	111.3	W108 R158 R159	E103-W108 HydrophobicContact CB-CE3 4.27Å; E103-W108 HydrophobicContact CB-CH2 4.27Å; E103-W108 HydrophobicContact CB-CZ3 3.98Å; E103-R158 HydrophobicContact CB-CB 4.34Å; E103-R158 VanDerWaalsContact O-CD 3.31Å; E103-R158 WeakPolarHBondContact O-CD 3.32Å; E103-R158 PolarHBondContact O-NH1 3.3Å; E103-R159 HydrophobicContact CB-CB 4.16Å; E103-R159 WeakPolarHBondContact CB-O 3.22Å; E103-R159 VanDerWaalsContact CD-NE 3.35Å; E103-R159 PolarHBondContact N-O 3.2Å; E103-R159 IonicContact OE1-CZ 2.67Å; E103-R159 IonicContact OE1-NE 2.92Å; E103-R159 PolarHBondContact OE1-NE 3.39Å; E103-R159 IonicContact OE1-NH2 2.72Å; E103-R159 PolarHBondContact OE1-NH2 2.98Å; E103-R159 WeakPolarHBondContact OE2-CB 3.33Å; E103-R159 WeakPolarHBondContact OE2-CG 3.4Å; E103-R159 IonicContact OE2-CZ 3.77Å; E103-R159 PolarHBondContact OE2-N 2.91Å; E103-R159 IonicContact OE2-NE 3.18Å; E103-R159 PolarHBondContact OE2-NE 2.97Å; E103-R159 IonicContact OE2-NH2 3.81Å
104	G	95.7	Very high	89.4	Confident	10 Å²	10	50.2 Å²	50.2	10%	0.103	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-176.9	166.8	0	0	0	0	0	111.5	Y102 D106 G107 K170	Y102-G104 PolarHBondContact O-N 3.02Å; G104-D106 PolarHBondContact O-N 2.82Å; G104-G107 CarbonylContact C-O 3.54Å; G104-G107 WeakPolarHBondContact CA-O 3.48Å; G104-G107 PolarHBondContact N-O 2.98Å; G104-K170 VanDerWaalsContact CA-NZ 3.34Å
105	R	92.9	Very high	91.5	Very high	215 Å²	215	45.7 Å²	45.7	81%	0.811	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	127.4	168.5	-162.2	-172.6	-65.4	172.8	-0.3	108.9	G107 K170	R105-G107 VanDerWaalsContact C-N 3.32Å; R105-G107 PolarHBondContact O-N 2.91Å; R105-K170 PolarHBondContact O-NZ 3.04Å
106	D	92.5	Very high	93.3	Very high	153 Å²	153	41.1 Å²	41.1	82%	0.818	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	39	174.8	-46.3	-40.2	0	0	0	114.8	G104	G104-D106 PolarHBondContact O-N 2.82Å
107	G	96	Very high	94.7	Very high	26 Å²	26	41 Å²	41	27%	0.268	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	140.7	-170.2	169.4	0	0	0	0	0	114.6	G104 R105 K170	G104-G107 CarbonylContact C-O 3.54Å; G104-G107 WeakPolarHBondContact CA-O 3.48Å; G104-G107 PolarHBondContact N-O 2.98Å; R105-G107 VanDerWaalsContact C-N 3.32Å; R105-G107 PolarHBondContact O-N 2.91Å; G107-K170 VanDerWaalsContact C-CE 3.42Å; G107-K170 VanDerWaalsContact C-NZ 3.33Å; G107-K170 VanDerWaalsContact O-CE 3.31Å; G107-K170 WeakPolarHBondContact O-CE 3.37Å; G107-K170 PolarHBondContact O-NZ 2.98Å
108	W	97.5	Very high	95.3	Very high	54 Å²	54	44.7 Å²	44.7	21%	0.205	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	148.2	-172.3	-63.3	91.2	0	0	0	112.4	F101 Y102 E103 R159 K161 S169 K170	F101-W108 HydrophobicContact CB-CB 4.28Å; F101-W108 HydrophobicContact CB-CE3 3.98Å; F101-W108 HydrophobicContact CD1-CB 4.41Å; Y102-W108 VanDerWaalsContact C-CE3 3.49Å; E103-W108 HydrophobicContact CB-CE3 4.27Å; E103-W108 HydrophobicContact CB-CH2 4.27Å; E103-W108 HydrophobicContact CB-CZ3 3.98Å; W108-R159 HydrophobicContact CH2-CB 3.79Å; W108-R159 HydrophobicContact CZ3-CB 4.28Å; W108-R159 WeakPolarHBondContact CZ3-O 3.34Å; W108-K161 HydrophobicContact CD2-CD 3.97Å; W108-K161 HydrophobicContact CD2-CG 4.31Å; W108-K161 HydrophobicContact CE3-CD 4.04Å; W108-K161 HydrophobicContact CE3-CG 3.86Å; W108-K161 HydrophobicContact CH2-CB 4.34Å; W108-K161 HydrophobicContact CH2-CD 4.09Å; W108-K161 HydrophobicContact CH2-CG 4.08Å; W108-K161 HydrophobicContact CZ2-CD 4.02Å; W108-K161 HydrophobicContact CZ3-CB 4.25Å; W108-K161 HydrophobicContact CZ3-CD 4.1Å; W108-K161 HydrophobicContact CZ3-CG 3.74Å; W108-S169 WeakPolarHBondContact O-CA 3.49Å; W108-K170 WeakPolarHBondContact O-CE 3.15Å; W108-K170 PolarHBondContact O-N 2.8Å
109	W	97.1	Very high	95.5	Very high	39 Å²	39	42.9 Å²	42.9	15%	0.148	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	138.4	168.4	-70.5	104.5	0	0	0	108.5	F101 Y102 K170 N176	F101-W109 CarbonylContact C-O 3.55Å; F101-W109 WeakPolarHBondContact CA-O 3.35Å; F101-W109 WeakPolarHBondContact CB-O 3.36Å; Y102-W109 HydrophobicContact CD1-CB 4.01Å; Y102-W109 HydrophobicContact CD2-CB 4Å; Y102-W109 HydrophobicContact CD2-CG 4.48Å; Y102-W109 HydrophobicContact CE1-CB 3.5Å; Y102-W109 HydrophobicContact CE1-CG 4.49Å; Y102-W109 HydrophobicContact CE2-CB 3.5Å; Y102-W109 VanDerWaalsContact CE2-CB 3.5Å; Y102-W109 AromaticContact CE2-CD1 3.64Å; Y102-W109 AromaticContact CE2-CG 3.76Å; Y102-W109 HydrophobicContact CE2-CG 3.76Å; Y102-W109 HydrophobicContact CG-CB 4.23Å; Y102-W109 AromaticContact CZ-CG 3.76Å; Y102-W109 PolarHBondContact N-O 3.25Å; Y102-W109 PolarHBondContact O-N 3.01Å; Y102-W109 WeakPolarHBondContact OH-CB 3.45Å; W109-K170 HydrophobicContact CD2-CB 4.1Å; W109-K170 VanDerWaalsContact CE2-CE 3.49Å; W109-K170 HydrophobicContact CE3-CB 4.01Å; W109-K170 HydrophobicContact CH2-CB 3.89Å; W109-K170 HydrophobicContact CZ2-CB 3.99Å; W109-K170 HydrophobicContact CZ2-CD 4.23Å; W109-K170 HydrophobicContact CZ3-CB 3.9Å; W109-K170 VanDerWaalsContact NE1-CE 3.3Å; W109-K170 VanDerWaalsContact NE1-NZ 3.19Å; W109-N176 HydrophobicContact CH2-CB 4.08Å; W109-N176 HydrophobicContact CZ3-CB 4.44Å
110	R	96.2	Very high	95.6	Very high	8 Å²	8	45 Å²	45	3%	0.03	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	143	169	-163.7	163.6	71	-163.5	12.5	109.2	T86 D87 A99 F101 G171 I172 A173	T86-R110 PolarHBondContact O-NH2 3.37Å; D87-R110 IonicContact OD1-CZ 3.82Å; D87-R110 IonicContact OD1-NH1 3.8Å; D87-R110 PolarHBondContact OD1-NH1 3.07Å; D87-R110 IonicContact OD1-NH2 2.89Å; D87-R110 PolarHBondContact OD1-NH2 2.96Å; D87-R110 IonicContact OD2-CZ 3.74Å; D87-R110 IonicContact OD2-NH1 2.87Å; D87-R110 IonicContact OD2-NH2 2.98Å; D87-R110 PolarHBondContact OD2-NH2 3.02Å; A99-R110 HydrophobicContact CB-CG 4.16Å; F101-R110 HydrophobicContact CD1-CB 3.92Å; F101-R110 HydrophobicContact CD1-CG 4.25Å; F101-R110 HydrophobicContact CE1-CB 3.86Å; F101-R110 HydrophobicContact CE1-CG 3.98Å; F101-R110 HydrophobicContact CZ-CG 4.35Å; R110-G171 PolarHBondContact N-O 2.88Å; R110-I172 HydrophobicContact CB-CG1 4.13Å; R110-I172 WeakPolarHBondContact O-CA 3.41Å; R110-A173 PolarHBondContact O-N 2.9Å
111	Y	96.6	Very high	95.5	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.012	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-64	161.3	167.9	-76.4	-83.9	0	0	0	110.7	W100 Y102 N116 L119 I134 Q148 V160 I172	W100-Y111 HydrophobicContact CB-CD2 3.61Å; W100-Y111 HydrophobicContact CB-CE2 4.12Å; W100-Y111 WeakPolarHBondContact O-CD2 3.33Å; W100-Y111 PolarHBondContact O-N 3.43Å; Y102-Y111 AromaticContact CD1-CD1 3.85Å; Y102-Y111 HydrophobicContact CD1-CD1 3.85Å; Y102-Y111 AromaticContact CD1-CD2 3.98Å; Y102-Y111 HydrophobicContact CD1-CD2 3.98Å; Y102-Y111 AromaticContact CD1-CE1 3.76Å; Y102-Y111 HydrophobicContact CD1-CE1 3.76Å; Y102-Y111 AromaticContact CD1-CE2 3.93Å; Y102-Y111 HydrophobicContact CD1-CE2 3.93Å; Y102-Y111 AromaticContact CD1-CG 3.96Å; Y102-Y111 HydrophobicContact CD1-CG 3.96Å; Y102-Y111 AromaticContact CD1-CZ 3.83Å; Y102-Y111 HydrophobicContact CE1-CD1 4.23Å; Y102-Y111 HydrophobicContact CE1-CE1 4.45Å; Y102-Y111 HydrophobicContact CE1-CG 4.43Å; Y102-Y111 HydrophobicContact CG-CE1 4.37Å; Y102-Y111 HydrophobicContact CG-CE2 4.42Å; Y111-N116 WeakPolarHBondContact CB-ND2 3.48Å; Y111-N116 PolarHBondContact O-ND2 2.58Å; Y111-L119 HydrophobicContact CD1-CD1 4.14Å; Y111-L119 HydrophobicContact CD2-CD1 3.55Å; Y111-L119 HydrophobicContact CE1-CD1 4.22Å; Y111-L119 HydrophobicContact CE2-CD1 3.62Å; Y111-L119 HydrophobicContact CG-CD1 3.81Å; Y111-I134 HydrophobicContact CD1-CD1 4.46Å; Y111-I134 HydrophobicContact CE1-CD1 3.91Å; Y111-Q148 VanDerWaalsContact CZ-OE1 3.31Å; Y111-Q148 PolarHBondContact OH-OE1 2.88Å; Y111-V160 HydrophobicContact CE2-CG1 4.36Å; Y111-V160 WeakPolarHBondContact OH-CG1 3.37Å; Y111-I172 VanDerWaalsContact O-CG2 3.3Å; Y111-I172 WeakPolarHBondContact O-CG2 3.49Å
112	D	93.1	Very high	95.5	Very high	17 Å²	17	48.7 Å²	48.7	9%	0.091	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-65.4	165.1	167	65.6	-82.5	0	0	0	111.3	Y31 L45 A114 S115 N116 A173	Y31-D112 HydrophobicContact CD1-CB 4Å; Y31-D112 HydrophobicContact CE1-CB 3.53Å; L45-D112 HydrophobicContact CD1-CB 4.26Å; D112-A114 PolarHBondContact O-N 3.46Å; D112-A114 WeakPolarHBondContact OD2-CB 3.49Å; D112-A114 PolarHBondContact OD2-N 3.01Å; D112-A114 VanDerWaalsContact OD2-N 3.14Å; D112-S115 PolarHBondContact O-N 2.81Å; D112-S115 WeakPolarHBondContact OD1-CB 3.41Å; D112-S115 PolarHBondContact OD1-OG 3.06Å; D112-S115 PolarHBondContact OD2-N 2.69Å; D112-S115 PolarHBondContact OD2-OG 3.26Å; D112-N116 WeakPolarHBondContact O-CB 3.11Å; D112-N116 PolarHBondContact O-N 2.99Å; D112-N116 PolarHBondContact O-ND2 2.82Å; D112-A173 HydrophobicContact CB-CB 4.05Å
113	A	89.4	Confident	95.4	Very high	28 Å²	28	52.7 Å²	52.7	23%	0.231	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-43.5	-175.5	0	0	0	0	0	113	Y31 N116 C117	Y31-A113 HydrophobicContact CE2-CB 4.2Å; A113-N116 WeakPolarHBondContact O-CB 3.45Å; A113-N116 PolarHBondContact O-N 2.81Å; A113-C117 PolarHBondContact O-N 2.77Å
114	A	91.6	Very high	95.4	Very high	60 Å²	60	55 Å²	55	50%	0.496	29%	0.29	S	S	.	.	H	α-helix	trans	-68	-40.6	-178.9	0	0	0	0	0	112	D112 C117 Q118	D112-A114 PolarHBondContact O-N 3.46Å; D112-A114 WeakPolarHBondContact OD2-CB 3.49Å; D112-A114 PolarHBondContact OD2-N 3.01Å; D112-A114 VanDerWaalsContact OD2-N 3.14Å; A114-C117 PolarHBondContact O-N 3.29Å; A114-Q118 WeakPolarHBondContact O-CG 3.46Å; A114-Q118 PolarHBondContact O-N 2.96Å; A114-Q118 PolarHBondContact O-NE2 2.82Å; A114-Q118 VanDerWaalsContact O-NE2 3.12Å
115	S	95.4	Very high	95.5	Very high	5 Å²	5	61 Å²	61	4%	0.035	31%	0.313	C	S	.	.	H	α-helix	trans	-65.4	-40.4	173.5	-65	0	0	0	0	112	D112 Q118 L119	D112-S115 PolarHBondContact O-N 2.81Å; D112-S115 WeakPolarHBondContact OD1-CB 3.41Å; D112-S115 PolarHBondContact OD1-OG 3.06Å; D112-S115 PolarHBondContact OD2-N 2.69Å; D112-S115 PolarHBondContact OD2-OG 3.26Å; S115-Q118 PolarHBondContact O-N 3.26Å; S115-L119 WeakPolarHBondContact O-CB 2.93Å; S115-L119 WeakPolarHBondContact O-CD1 3.34Å; S115-L119 WeakPolarHBondContact O-CG 3.45Å; S115-L119 PolarHBondContact O-N 2.82Å
116	N	95.2	Very high	95.7	Very high	8 Å²	8	53.7 Å²	53.7	4%	0.043	31%	0.305	C	S	.	.	H	α-helix	trans	-58.5	-47.1	174.2	-90.6	-79.3	0	0	0	111.9	W100 Y111 D112 A113 Q118 L119 E120	W100-N116 WeakPolarHBondContact CB-OD1 3.32Å; W100-N116 PolarHBondContact N-OD1 2.83Å; Y111-N116 WeakPolarHBondContact CB-ND2 3.48Å; Y111-N116 PolarHBondContact O-ND2 2.58Å; D112-N116 WeakPolarHBondContact O-CB 3.11Å; D112-N116 PolarHBondContact O-N 2.99Å; D112-N116 PolarHBondContact O-ND2 2.82Å; A113-N116 WeakPolarHBondContact O-CB 3.45Å; A113-N116 PolarHBondContact O-N 2.81Å; N116-Q118 VanDerWaalsContact C-N 3.34Å; N116-Q118 PolarHBondContact O-N 2.87Å; N116-L119 PolarHBondContact O-N 3.48Å; N116-E120 WeakPolarHBondContact O-CB 3.25Å; N116-E120 PolarHBondContact O-N 2.89Å
117	C	93.7	Very high	96	Very high	90 Å²	90	50.6 Å²	50.6	61%	0.608	29%	0.287	S	S	*	.	H	α-helix	trans	-58.9	-45.8	179.4	-178.3	0	0	0	0	111.4	A113 A114 E120 D121	A113-C117 PolarHBondContact O-N 2.77Å; A114-C117 PolarHBondContact O-N 3.29Å; C117-E120 PolarHBondContact O-N 2.87Å; C117-D121 WeakPolarHBondContact O-CB 3.28Å; C117-D121 PolarHBondContact O-N 2.87Å
118	Q	97	Very high	96.1	Very high	96 Å²	96	56.4 Å²	56.4	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-65.9	-40.2	177.5	-71.9	172.1	89.1	0	0	112.9	A114 S115 N116 A122 L130 L132	A114-Q118 WeakPolarHBondContact O-CG 3.46Å; A114-Q118 PolarHBondContact O-N 2.96Å; A114-Q118 PolarHBondContact O-NE2 2.82Å; A114-Q118 VanDerWaalsContact O-NE2 3.12Å; S115-Q118 PolarHBondContact O-N 3.26Å; N116-Q118 VanDerWaalsContact C-N 3.34Å; N116-Q118 PolarHBondContact O-N 2.87Å; Q118-A122 WeakPolarHBondContact O-CB 3.45Å; Q118-A122 PolarHBondContact O-N 2.63Å; Q118-L130 HydrophobicContact CB-CD1 4.43Å; Q118-L132 HydrophobicContact CB-CD2 3.81Å; Q118-L132 HydrophobicContact CG-CD2 4.46Å
119	L	97.9	Very high	96.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.4	-45.3	176.3	-80	161.2	0	0	0	111.8	W100 Y111 S115 N116 A122 Y123 L130 L132 I141 L143	W100-L119 HydrophobicContact CB-CB 4.34Å; W100-L119 HydrophobicContact CB-CD1 3.7Å; W100-L119 HydrophobicContact CD2-CB 3.85Å; W100-L119 HydrophobicContact CD2-CD1 4.35Å; W100-L119 HydrophobicContact CD2-CD2 4.44Å; W100-L119 HydrophobicContact CD2-CG 4.44Å; W100-L119 HydrophobicContact CE3-CD2 4.4Å; W100-L119 HydrophobicContact CG-CB 3.67Å; W100-L119 HydrophobicContact CG-CD1 3.92Å; W100-L119 HydrophobicContact CG-CG 4.31Å; Y111-L119 HydrophobicContact CD1-CD1 4.14Å; Y111-L119 HydrophobicContact CD2-CD1 3.55Å; Y111-L119 HydrophobicContact CE1-CD1 4.22Å; Y111-L119 HydrophobicContact CE2-CD1 3.62Å; Y111-L119 HydrophobicContact CG-CD1 3.81Å; S115-L119 WeakPolarHBondContact O-CB 2.93Å; S115-L119 WeakPolarHBondContact O-CD1 3.34Å; S115-L119 WeakPolarHBondContact O-CG 3.45Å; S115-L119 PolarHBondContact O-N 2.82Å; N116-L119 PolarHBondContact O-N 3.48Å; L119-A122 PolarHBondContact O-N 3.02Å; L119-Y123 VanDerWaalsContact O-CB 3.24Å; L119-Y123 WeakPolarHBondContact O-CB 3.37Å; L119-Y123 PolarHBondContact O-N 2.88Å; L119-L130 HydrophobicContact CD2-CD1 4.14Å; L119-L130 HydrophobicContact CD2-CD2 3.78Å; L119-L130 HydrophobicContact CD2-CG 4.47Å; L119-L130 HydrophobicContact CG-CD1 4.39Å; L119-L132 HydrophobicContact CD1-CD1 4.02Å; L119-L132 HydrophobicContact CD2-CD1 4.25Å; L119-L132 HydrophobicContact CG-CD1 3.93Å; L119-I141 HydrophobicContact CD2-CB 4.24Å; L119-I141 HydrophobicContact CD2-CG1 4.25Å; L119-I141 HydrophobicContact CD2-CG2 3.81Å; L119-L143 HydrophobicContact CD2-CD2 4.24Å
120	E	96.7	Very high	96.2	Very high	46 Å²	46	56.1 Å²	56.1	22%	0.215	32%	0.318	C	S	.	.	H	α-helix	trans	-66.6	-40.9	-179.9	-167.4	61.6	-159.5	0	0	111.7	W100 N116 C117 Y123 T124 R162	W100-E120 PolarHBondContact NE1-OE2 3.41Å; N116-E120 WeakPolarHBondContact O-CB 3.25Å; N116-E120 PolarHBondContact O-N 2.89Å; C117-E120 PolarHBondContact O-N 2.87Å; E120-Y123 PolarHBondContact O-N 3.3Å; E120-T124 VanDerWaalsContact O-CB 3.3Å; E120-T124 WeakPolarHBondContact O-CB 3.46Å; E120-T124 PolarHBondContact O-N 2.85Å; E120-T124 PolarHBondContact O-OG1 2.79Å; E120-R162 IonicContact OE1-CZ 3.27Å; E120-R162 VanDerWaalsContact OE1-CZ 3.27Å; E120-R162 IonicContact OE1-NE 3.04Å; E120-R162 PolarHBondContact OE1-NE 2.97Å; E120-R162 IonicContact OE1-NH2 2.68Å; E120-R162 PolarHBondContact OE1-NH2 3.27Å; E120-R162 IonicContact OE2-CZ 3.73Å; E120-R162 IonicContact OE2-NE 2.88Å; E120-R162 PolarHBondContact OE2-NE 3.29Å; E120-R162 IonicContact OE2-NH2 3.76Å
121	D	96.2	Very high	96.3	Very high	76 Å²	76	60.4 Å²	60.4	41%	0.406	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-48.6	174.5	-179.6	66.9	0	0	0	111.7	C117 Y123 T124 K125	C117-D121 WeakPolarHBondContact O-CB 3.28Å; C117-D121 PolarHBondContact O-N 2.87Å; D121-Y123 PolarHBondContact O-N 2.95Å; D121-T124 PolarHBondContact O-N 3.26Å; D121-K125 WeakPolarHBondContact O-CB 3.47Å; D121-K125 VanDerWaalsContact O-CG 3.32Å; D121-K125 WeakPolarHBondContact O-CG 3.47Å; D121-K125 PolarHBondContact O-N 2.69Å; D121-K125 WeakPolarHBondContact OD1-CE 3.44Å; D121-K125 IonicContact OD1-NZ 2.8Å; D121-K125 PolarHBondContact OD1-NZ 3.27Å; D121-K125 WeakPolarHBondContact OD2-CE 3.46Å; D121-K125 IonicContact OD2-NZ 2.7Å; D121-K125 PolarHBondContact OD2-NZ 3.35Å
122	A	98.2	Very high	96.4	Very high	3 Å²	3	60.4 Å²	60.4	3%	0.025	34%	0.338	C	S	.	.	H	α-helix	trans	-61.6	-42.8	177.8	0	0	0	0	0	112.3	Q118 L119 K125 G126 L127 L130 L143	Q118-A122 WeakPolarHBondContact O-CB 3.45Å; Q118-A122 PolarHBondContact O-N 2.63Å; L119-A122 PolarHBondContact O-N 3.02Å; A122-K125 PolarHBondContact O-N 3.28Å; A122-G126 PolarHBondContact O-N 3.25Å; A122-L127 HydrophobicContact CB-CB 4.33Å; A122-L127 HydrophobicContact CB-CD1 3.89Å; A122-L127 HydrophobicContact CB-CG 4.4Å; A122-L127 WeakPolarHBondContact O-CB 3.29Å; A122-L127 PolarHBondContact O-N 3.44Å; A122-L130 HydrophobicContact CB-CB 4.27Å; A122-L130 HydrophobicContact CB-CD1 3.89Å; A122-L130 HydrophobicContact CB-CD2 4.11Å; A122-L130 HydrophobicContact CB-CG 4.33Å; A122-L143 HydrophobicContact CB-CD1 3.98Å
123	Y	97.4	Very high	96.5	Very high	114 Å²	114	65.5 Å²	65.5	45%	0.447	37%	0.365	S	S	.	.	H	α-helix	trans	-64.1	-47.6	177.4	178.3	-101.7	0	0	0	112	W100 L119 E120 D121 K125 G126	W100-Y123 AromaticContact CH2-CD2 3.76Å; W100-Y123 HydrophobicContact CH2-CD2 3.76Å; W100-Y123 HydrophobicContact CH2-CE2 4.4Å; W100-Y123 HydrophobicContact CH2-CG 4.04Å; W100-Y123 HydrophobicContact CZ2-CD1 4.21Å; W100-Y123 AromaticContact CZ2-CD2 3.82Å; W100-Y123 HydrophobicContact CZ2-CD2 3.82Å; W100-Y123 AromaticContact CZ2-CG 3.6Å; W100-Y123 HydrophobicContact CZ2-CG 3.6Å; L119-Y123 VanDerWaalsContact O-CB 3.24Å; L119-Y123 WeakPolarHBondContact O-CB 3.37Å; L119-Y123 PolarHBondContact O-N 2.88Å; E120-Y123 PolarHBondContact O-N 3.3Å; D121-Y123 PolarHBondContact O-N 2.95Å; Y123-K125 PolarHBondContact O-N 2.84Å; Y123-G126 PolarHBondContact O-N 2.86Å
124	T	96.2	Very high	96.8	Very high	105 Å²	105	65.4 Å²	65.4	64%	0.644	36%	0.36	S	S	*	.	H	α-helix	trans	-63.5	-33	179.6	-57.9	0	0	0	0	111.8	E120 D121 G126	E120-T124 VanDerWaalsContact O-CB 3.3Å; E120-T124 WeakPolarHBondContact O-CB 3.46Å; E120-T124 PolarHBondContact O-N 2.85Å; E120-T124 PolarHBondContact O-OG1 2.79Å; D121-T124 PolarHBondContact O-N 3.26Å; T124-G126 PolarHBondContact O-N 2.92Å
125	K	97.9	Very high	97	Very high	135 Å²	135	63.3 Å²	63.3	59%	0.587	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-1.9	174.2	-71.9	172	-178.7	164.3	0	114	D121 A122 Y123 L127	D121-K125 WeakPolarHBondContact O-CB 3.47Å; D121-K125 VanDerWaalsContact O-CG 3.32Å; D121-K125 WeakPolarHBondContact O-CG 3.47Å; D121-K125 PolarHBondContact O-N 2.69Å; D121-K125 WeakPolarHBondContact OD1-CE 3.44Å; D121-K125 IonicContact OD1-NZ 2.8Å; D121-K125 PolarHBondContact OD1-NZ 3.27Å; D121-K125 WeakPolarHBondContact OD2-CE 3.46Å; D121-K125 IonicContact OD2-NZ 2.7Å; D121-K125 PolarHBondContact OD2-NZ 3.35Å; A122-K125 PolarHBondContact O-N 3.28Å; Y123-K125 PolarHBondContact O-N 2.84Å; K125-L127 VanDerWaalsContact C-N 3.29Å; K125-L127 HydrophobicContact CB-CG 4.21Å; K125-L127 PolarHBondContact O-N 3.34Å
126	G	97.9	Very high	96.9	Very high	62 Å²	62	65.8 Å²	65.8	64%	0.639	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	26	-179.7	0	0	0	0	0	113.7	A122 Y123 T124	A122-G126 PolarHBondContact O-N 3.25Å; Y123-G126 PolarHBondContact O-N 2.86Å; T124-G126 PolarHBondContact O-N 2.92Å
127	L	98.5	Very high	96.9	Very high	87 Å²	87	69 Å²	69	46%	0.455	39%	0.385	S	S	.	.			trans	-66.8	145.4	173.4	-56.8	-173.1	0	0	0	109.7	A122 K125 L143	A122-L127 HydrophobicContact CB-CB 4.33Å; A122-L127 HydrophobicContact CB-CD1 3.89Å; A122-L127 HydrophobicContact CB-CG 4.4Å; A122-L127 WeakPolarHBondContact O-CB 3.29Å; A122-L127 PolarHBondContact O-N 3.44Å; K125-L127 VanDerWaalsContact C-N 3.29Å; K125-L127 HydrophobicContact CB-CG 4.21Å; K125-L127 PolarHBondContact O-N 3.34Å; L127-L143 VanDerWaalsContact O-CD1 3.3Å; L127-L143 WeakPolarHBondContact O-CD1 3.34Å
128	Q	98.4	Very high	97	Very high	148 Å²	148	67.8 Å²	67.8	69%	0.692	37%	0.371	S	S	*	.	S	Bend	trans	-81.6	-26.3	177.6	-65.2	-177.3	4	0	0	112.3	L143 V144	Q128-L143 PolarHBondContact O-N 3.25Å; Q128-V144 HydrophobicContact CB-CG2 3.83Å; Q128-V144 HydrophobicContact CG-CG2 3.98Å
129	S	98.4	Very high	97.1	Very high	64 Å²	64	65 Å²	65	45%	0.448	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	166.5	179.5	62.3	0	0	0	0	111.7	I141	S129-I141 CarbonylContact C-O 3.57Å; S129-I141 WeakPolarHBondContact CA-O 3.41Å; S129-I141 WeakPolarHBondContact CB-O 3.4Å
130	L	98.6	Very high	97.1	Very high	24 Å²	24	66 Å²	66	13%	0.126	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	159.6	174	69.1	162.6	0	0	0	111	Q118 L119 A122 L132 I141 L143	Q118-L130 HydrophobicContact CB-CD1 4.43Å; L119-L130 HydrophobicContact CD2-CD1 4.14Å; L119-L130 HydrophobicContact CD2-CD2 3.78Å; L119-L130 HydrophobicContact CD2-CG 4.47Å; L119-L130 HydrophobicContact CG-CD1 4.39Å; A122-L130 HydrophobicContact CB-CB 4.27Å; A122-L130 HydrophobicContact CB-CD1 3.89Å; A122-L130 HydrophobicContact CB-CD2 4.11Å; A122-L130 HydrophobicContact CB-CG 4.33Å; L130-L132 HydrophobicContact CD1-CD1 4.42Å; L130-L132 HydrophobicContact CD1-CD2 3.76Å; L130-L132 HydrophobicContact CD1-CG 3.98Å; L130-L132 HydrophobicContact CG-CG 4.35Å; L130-I141 HydrophobicContact CD2-CB 3.69Å; L130-I141 HydrophobicContact CD2-CG1 4.22Å; L130-I141 HydrophobicContact CD2-CG2 4.33Å; L130-I141 HydrophobicContact CG-CB 4.27Å; L130-I141 HydrophobicContact CG-CG1 4.32Å; L130-I141 PolarHBondContact N-O 3.5Å; L130-I141 VanDerWaalsContact N-O 3.08Å; L130-I141 PolarHBondContact O-N 3.02Å; L130-L143 HydrophobicContact CD2-CD1 3.99Å; L130-L143 HydrophobicContact CD2-CD2 4.07Å; L130-L143 HydrophobicContact CD2-CG 3.96Å
131	E	98.5	Very high	97.2	Very high	98 Å²	98	63.8 Å²	63.8	46%	0.458	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.8	170.3	-55.7	-158	153.3	0	0	110	I138 Y139 I140 R151	E131-I138 HydrophobicContact CB-CG2 3.93Å; E131-I138 HydrophobicContact CG-CG2 4.37Å; E131-Y139 CarbonylContact C-O 3.53Å; E131-Y139 VanDerWaalsContact CA-O 3.29Å; E131-Y139 WeakPolarHBondContact CA-O 3.32Å; E131-I140 HydrophobicContact CB-CD1 4.47Å; E131-I140 HydrophobicContact CG-CD1 3.59Å; E131-I140 WeakPolarHBondContact OE1-CD1 3.43Å; E131-R151 IonicContact OE1-CZ 3.4Å; E131-R151 IonicContact OE1-NE 2.71Å; E131-R151 PolarHBondContact OE1-NE 3.37Å; E131-R151 IonicContact OE1-NH2 2.69Å
132	L	97.7	Very high	97.3	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.6	174.4	-67.4	-179.6	0	0	0	111.1	Q118 L119 L130 I134 I138 Y139 I141	Q118-L132 HydrophobicContact CB-CD2 3.81Å; Q118-L132 HydrophobicContact CG-CD2 4.46Å; L119-L132 HydrophobicContact CD1-CD1 4.02Å; L119-L132 HydrophobicContact CD2-CD1 4.25Å; L119-L132 HydrophobicContact CG-CD1 3.93Å; L130-L132 HydrophobicContact CD1-CD1 4.42Å; L130-L132 HydrophobicContact CD1-CD2 3.76Å; L130-L132 HydrophobicContact CD1-CG 3.98Å; L130-L132 HydrophobicContact CG-CG 4.35Å; L132-I134 HydrophobicContact CB-CD1 4.21Å; L132-I134 HydrophobicContact CB-CG1 4.04Å; L132-I134 PolarHBondContact O-N 2.85Å; L132-I138 WeakPolarHBondContact O-CA 3.16Å; L132-Y139 PolarHBondContact N-O 3.18Å; L132-Y139 PolarHBondContact O-N 2.87Å; L132-I141 HydrophobicContact CD1-CD1 4.18Å; L132-I141 HydrophobicContact CD1-CG1 3.76Å; L132-I141 HydrophobicContact CG-CG1 4.04Å
133	L	95.9	Very high	97.4	Very high	125 Å²	125	61.4 Å²	61.4	65%	0.654	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	106.8	170.3	-177.3	67.6	0	0	0	109.9	I138	L133-I138 HydrophobicContact CD1-CG1 4.44Å
134	I	96.1	Very high	97.4	Very high	25 Å²	25	60.4 Å²	60.4	13%	0.128	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.8	-178.7	-53.3	175.3	0	0	0	108.9	Y111 L132 G136 Q137 Y139	Y111-I134 HydrophobicContact CD1-CD1 4.46Å; Y111-I134 HydrophobicContact CE1-CD1 3.91Å; L132-I134 HydrophobicContact CB-CD1 4.21Å; L132-I134 HydrophobicContact CB-CG1 4.04Å; L132-I134 PolarHBondContact O-N 2.85Å; I134-G136 PolarHBondContact O-N 3.25Å; I134-Q137 PolarHBondContact N-O 2.71Å; I134-Q137 PolarHBondContact O-N 2.93Å; I134-Y139 HydrophobicContact CB-CD2 3.71Å; I134-Y139 HydrophobicContact CB-CE2 3.95Å; I134-Y139 HydrophobicContact CD1-CD2 4.06Å; I134-Y139 HydrophobicContact CD1-CG 4.02Å; I134-Y139 HydrophobicContact CG1-CD2 4.12Å
135	A	94.6	Very high	97.5	Very high	16 Å²	16	60.5 Å²	60.5	13%	0.132	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	45.2	-178.7	0	0	0	0	0	113.2	L45 K48 G49 Q137	L45-A135 HydrophobicContact CD2-CB 4.3Å; L45-A135 WeakPolarHBondContact O-CA 3.35Å; K48-A135 HydrophobicContact CB-CB 4.33Å; K48-A135 HydrophobicContact CD-CB 4.14Å; K48-A135 HydrophobicContact CG-CB 4.08Å; G49-A135 VanDerWaalsContact CA-C 3.48Å; G49-A135 WeakPolarHBondContact CA-O 3.24Å; A135-Q137 VanDerWaalsContact C-N 3.3Å; A135-Q137 PolarHBondContact O-N 2.98Å
136	G	93.6	Very high	97.5	Very high	58 Å²	58	56.9 Å²	56.9	60%	0.598	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	3.4	177.5	0	0	0	0	0	115.8	I134	I134-G136 PolarHBondContact O-N 3.25Å
137	Q	94.8	Very high	97.5	Very high	76 Å²	76	56.1 Å²	56.1	36%	0.355	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.4	175.4	-60.1	-172.5	-75.3	0	0	110.9	I134 A135 Y139	I134-Q137 PolarHBondContact N-O 2.71Å; I134-Q137 PolarHBondContact O-N 2.93Å; A135-Q137 VanDerWaalsContact C-N 3.3Å; A135-Q137 PolarHBondContact O-N 2.98Å; Q137-Y139 HydrophobicContact CB-CD2 4.39Å; Q137-Y139 HydrophobicContact CB-CE2 3.97Å
138	I	97.3	Very high	97.5	Very high	63 Å²	63	52.3 Å²	52.3	32%	0.323	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.6	173.4	-58.3	174.3	0	0	0	108.7	E131 L132 L133 R151	E131-I138 HydrophobicContact CB-CG2 3.93Å; E131-I138 HydrophobicContact CG-CG2 4.37Å; L132-I138 WeakPolarHBondContact O-CA 3.16Å; L133-I138 HydrophobicContact CD1-CG1 4.44Å; I138-R151 HydrophobicContact CB-CB 4.27Å; I138-R151 HydrophobicContact CG2-CB 4.22Å; I138-R151 WeakPolarHBondContact O-CB 3.33Å; I138-R151 PolarHBondContact O-N 3.44Å
139	Y	98.4	Very high	97.5	Very high	37 Å²	37	47.8 Å²	47.8	15%	0.145	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.9	171.7	-79.4	-102.9	0	0	0	109.8	E131 L132 I134 Q137 Y149 P150	E131-Y139 CarbonylContact C-O 3.53Å; E131-Y139 VanDerWaalsContact CA-O 3.29Å; E131-Y139 WeakPolarHBondContact CA-O 3.32Å; L132-Y139 PolarHBondContact N-O 3.18Å; L132-Y139 PolarHBondContact O-N 2.87Å; I134-Y139 HydrophobicContact CB-CD2 3.71Å; I134-Y139 HydrophobicContact CB-CE2 3.95Å; I134-Y139 HydrophobicContact CD1-CD2 4.06Å; I134-Y139 HydrophobicContact CD1-CG 4.02Å; I134-Y139 HydrophobicContact CG1-CD2 4.12Å; Q137-Y139 HydrophobicContact CB-CD2 4.39Å; Q137-Y139 HydrophobicContact CB-CE2 3.97Å; Y139-Y149 CarbonylContact C-O 3.54Å; Y139-Y149 VanDerWaalsContact CA-O 3.32Å; Y139-Y149 WeakPolarHBondContact CA-O 3.21Å; Y139-Y149 VanDerWaalsContact CD1-C 3.41Å; Y139-P150 HydrophobicContact CD1-CG 4.35Å; Y139-P150 HydrophobicContact CE1-CB 4.34Å; Y139-P150 HydrophobicContact CE1-CG 3.69Å
140	I	98.6	Very high	97.5	Very high	22 Å²	22	45.1 Å²	45.1	11%	0.113	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130.4	164.2	-50.4	-56.9	0	0	0	107.2	E131 Q148 Y149 R151	E131-I140 HydrophobicContact CB-CD1 4.47Å; E131-I140 HydrophobicContact CG-CD1 3.59Å; E131-I140 WeakPolarHBondContact OE1-CD1 3.43Å; I140-Q148 WeakPolarHBondContact O-CA 3.34Å; I140-Y149 HydrophobicContact CB-CD2 4.15Å; I140-Y149 HydrophobicContact CB-CE1 4.24Å; I140-Y149 HydrophobicContact CB-CE2 3.6Å; I140-Y149 HydrophobicContact CG1-CD2 4.37Å; I140-Y149 HydrophobicContact CG1-CE2 3.74Å; I140-Y149 HydrophobicContact CG2-CE1 4.33Å; I140-Y149 HydrophobicContact CG2-CE2 4.22Å; I140-Y149 WeakPolarHBondContact CG2-OH 3.31Å; I140-Y149 PolarHBondContact N-O 3.45Å; I140-Y149 PolarHBondContact O-N 3.04Å; I140-R151 HydrophobicContact CD1-CB 4.31Å; I140-R151 HydrophobicContact CD1-CG 4.11Å; I140-R151 HydrophobicContact CG1-CB 4.29Å; I140-R151 HydrophobicContact CG1-CG 4.37Å
141	I	98.7	Very high	97.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115	171.5	-37.3	-61.9	0	0	0	107.5	L119 S129 L130 L132 Q148 V160	L119-I141 HydrophobicContact CD2-CB 4.24Å; L119-I141 HydrophobicContact CD2-CG1 4.25Å; L119-I141 HydrophobicContact CD2-CG2 3.81Å; S129-I141 CarbonylContact C-O 3.57Å; S129-I141 WeakPolarHBondContact CA-O 3.41Å; S129-I141 WeakPolarHBondContact CB-O 3.4Å; L130-I141 HydrophobicContact CD2-CB 3.69Å; L130-I141 HydrophobicContact CD2-CG1 4.22Å; L130-I141 HydrophobicContact CD2-CG2 4.33Å; L130-I141 HydrophobicContact CG-CB 4.27Å; L130-I141 HydrophobicContact CG-CG1 4.32Å; L130-I141 PolarHBondContact N-O 3.5Å; L130-I141 VanDerWaalsContact N-O 3.08Å; L130-I141 PolarHBondContact O-N 3.02Å; L132-I141 HydrophobicContact CD1-CD1 4.18Å; L132-I141 HydrophobicContact CD1-CG1 3.76Å; L132-I141 HydrophobicContact CG-CG1 4.04Å; I141-Q148 HydrophobicContact CD1-CB 3.37Å; I141-V160 HydrophobicContact CG2-CG1 4.32Å; I141-V160 HydrophobicContact CG2-CG2 4.11Å
142	S	98.4	Very high	97.4	Very high	10 Å²	10	52.5 Å²	52.5	7%	0.07	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	114.6	171.9	-178.8	0	0	0	0	108.5	V144 D145 M146 E147	S142-V144 VanDerWaalsContact C-N 3.28Å; S142-D145 WeakPolarHBondContact CB-OD2 3.43Å; S142-D145 WeakPolarHBondContact OG-CB 3.48Å; S142-D145 PolarHBondContact OG-N 2.92Å; S142-D145 VanDerWaalsContact OG-N 3.09Å; S142-D145 PolarHBondContact OG-OD2 3.44Å; S142-M146 VanDerWaalsContact O-CA 3.28Å; S142-M146 WeakPolarHBondContact O-CA 3.4Å; S142-M146 PolarHBondContact O-N 3.27Å; S142-E147 PolarHBondContact N-O 3.49Å; S142-E147 PolarHBondContact O-N 2.8Å
143	L	98.5	Very high	97.3	Very high	18 Å²	18	56 Å²	56	9%	0.094	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-12.8	175.8	-61.3	177.1	0	0	0	111.9	W100 L119 A122 L127 Q128 L130 M146	W100-L143 HydrophobicContact CH2-CD2 3.71Å; W100-L143 HydrophobicContact CZ2-CD2 4.46Å; W100-L143 HydrophobicContact CZ3-CD2 3.91Å; L119-L143 HydrophobicContact CD2-CD2 4.24Å; A122-L143 HydrophobicContact CB-CD1 3.98Å; L127-L143 VanDerWaalsContact O-CD1 3.3Å; L127-L143 WeakPolarHBondContact O-CD1 3.34Å; Q128-L143 PolarHBondContact O-N 3.25Å; L130-L143 HydrophobicContact CD2-CD1 3.99Å; L130-L143 HydrophobicContact CD2-CD2 4.07Å; L130-L143 HydrophobicContact CD2-CG 3.96Å; L143-M146 VanDerWaalsContact O-SD 3.41Å
144	V	97.9	Very high	97.2	Very high	94 Å²	94	53.5 Å²	53.5	57%	0.57	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-52.1	173.5	179.8	0	0	0	0	110.5	Q128 S142 M146	Q128-V144 HydrophobicContact CB-CG2 3.83Å; Q128-V144 HydrophobicContact CG-CG2 3.98Å; S142-V144 VanDerWaalsContact C-N 3.28Å; V144-M146 VanDerWaalsContact C-N 3.28Å; V144-M146 PolarHBondContact O-N 2.92Å
145	D	98	Very high	97.3	Very high	106 Å²	106	57.1 Å²	57.1	57%	0.567	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-13.2	-178.2	-52.3	-58.2	0	0	0	112.4	S142 E147	S142-D145 WeakPolarHBondContact CB-OD2 3.43Å; S142-D145 WeakPolarHBondContact OG-CB 3.48Å; S142-D145 PolarHBondContact OG-N 2.92Å; S142-D145 VanDerWaalsContact OG-N 3.09Å; S142-D145 PolarHBondContact OG-OD2 3.44Å; D145-E147 HydrophobicContact CB-CB 4.49Å; D145-E147 HydrophobicContact CB-CG 4.26Å
146	M	98.5	Very high	97.4	Very high	59 Å²	59	62.2 Å²	62.2	29%	0.291	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	51	-174	-61.1	-63.8	-69.5	0	0	111.6	W100 S142 L143 V144 R159 V160	W100-M146 HydrophobicContact CH2-CE 4.26Å; W100-M146 HydrophobicContact CZ3-CE 3.73Å; W100-M146 HydrophobicContact CZ3-SD 4.36Å; S142-M146 VanDerWaalsContact O-CA 3.28Å; S142-M146 WeakPolarHBondContact O-CA 3.4Å; S142-M146 PolarHBondContact O-N 3.27Å; L143-M146 VanDerWaalsContact O-SD 3.41Å; V144-M146 VanDerWaalsContact C-N 3.28Å; V144-M146 PolarHBondContact O-N 2.92Å; M146-R159 WeakPolarHBondContact O-CA 3.24Å; M146-V160 VanDerWaalsContact C-CG2 3.41Å; M146-V160 HydrophobicContact CB-CG2 4.34Å; M146-V160 HydrophobicContact CE-CG2 4.33Å; M146-V160 PolarHBondContact O-N 2.92Å
147	E	98.5	Very high	97.6	Very high	46 Å²	46	64.6 Å²	64.6	22%	0.215	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151	-179.3	-64.6	-179.3	140.4	0	0	112.2	S142 D145 K157 R158	S142-E147 PolarHBondContact N-O 3.49Å; S142-E147 PolarHBondContact O-N 2.8Å; D145-E147 HydrophobicContact CB-CB 4.49Å; D145-E147 HydrophobicContact CB-CG 4.26Å; E147-K157 WeakPolarHBondContact OE2-CD 3.26Å; E147-K157 WeakPolarHBondContact OE2-CE 3.31Å; E147-K157 IonicContact OE2-NZ 3.69Å; E147-K157 PolarHBondContact OE2-NZ 3.19Å; E147-R158 CarbonylContact C-O 3.59Å; E147-R158 WeakPolarHBondContact CA-O 3.2Å
148	Q	98.6	Very high	97.7	Very high	7 Å²	7	66 Å²	66	3%	0.033	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149	167	64.1	153.7	76.2	0	0	111.8	Y111 I140 I141 K157 R158 V160	Y111-Q148 VanDerWaalsContact CZ-OE1 3.31Å; Y111-Q148 PolarHBondContact OH-OE1 2.88Å; I140-Q148 WeakPolarHBondContact O-CA 3.34Å; I141-Q148 HydrophobicContact CD1-CB 3.37Å; Q148-K157 CarbonylContact O-C 3.58Å; Q148-K157 WeakPolarHBondContact O-CA 3.45Å; Q148-R158 HydrophobicContact CG-CB 3.81Å; Q148-R158 PolarHBondContact N-O 3.06Å; Q148-R158 PolarHBondContact O-N 2.8Å; Q148-V160 HydrophobicContact CB-CG1 3.8Å; Q148-V160 HydrophobicContact CG-CG1 3.74Å
149	Y	98.5	Very high	97.8	Very high	54 Å²	54	69.1 Å²	69.1	21%	0.212	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	152.4	172.2	52.1	-90.1	0	0	0	111.6	Y139 I140 P154 K157	Y139-Y149 CarbonylContact C-O 3.54Å; Y139-Y149 VanDerWaalsContact CA-O 3.32Å; Y139-Y149 WeakPolarHBondContact CA-O 3.21Å; Y139-Y149 VanDerWaalsContact CD1-C 3.41Å; I140-Y149 HydrophobicContact CB-CD2 4.15Å; I140-Y149 HydrophobicContact CB-CE1 4.24Å; I140-Y149 HydrophobicContact CB-CE2 3.6Å; I140-Y149 HydrophobicContact CG1-CD2 4.37Å; I140-Y149 HydrophobicContact CG1-CE2 3.74Å; I140-Y149 HydrophobicContact CG2-CE1 4.33Å; I140-Y149 HydrophobicContact CG2-CE2 4.22Å; I140-Y149 WeakPolarHBondContact CG2-OH 3.31Å; I140-Y149 PolarHBondContact N-O 3.45Å; I140-Y149 PolarHBondContact O-N 3.04Å; Y149-P154 HydrophobicContact CD2-CB 3.92Å; Y149-P154 HydrophobicContact CD2-CG 4.37Å; Y149-P154 HydrophobicContact CE2-CB 4.05Å; Y149-P154 HydrophobicContact CE2-CG 4.37Å; Y149-K157 HydrophobicContact CD1-CG 4.41Å
150	P	97.8	Very high	97.8	Very high	7 Å²	7	67.7 Å²	67.7	5%	0.045	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	137.1	172	-16.3	28.6	0	0	0	110.5	Y139 H152 E153 K156	Y139-P150 HydrophobicContact CD1-CG 4.35Å; Y139-P150 HydrophobicContact CE1-CB 4.34Å; Y139-P150 HydrophobicContact CE1-CG 3.69Å; P150-H152 PolarHBondContact O-N 3.4Å; P150-E153 HydrophobicContact CB-CB 4.21Å; P150-E153 HydrophobicContact CG-CB 4.31Å; P150-E153 CarbonylContact O-C 3.56Å; P150-E153 PolarHBondContact O-N 2.71Å; P150-K156 WeakPolarHBondContact CD-O 3.45Å; P150-K156 HydrophobicContact CG-CB 4.43Å
151	R	97.7	Very high	97.8	Very high	123 Å²	123	68.8 Å²	68.8	46%	0.464	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-34.3	-178.4	-172.7	176.7	-164.1	-123.1	-1.8	113.5	E131 I138 I140	E131-R151 IonicContact OE1-CZ 3.4Å; E131-R151 IonicContact OE1-NE 2.71Å; E131-R151 PolarHBondContact OE1-NE 3.37Å; E131-R151 IonicContact OE1-NH2 2.69Å; I138-R151 HydrophobicContact CB-CB 4.27Å; I138-R151 HydrophobicContact CG2-CB 4.22Å; I138-R151 WeakPolarHBondContact O-CB 3.33Å; I138-R151 PolarHBondContact O-N 3.44Å; I140-R151 HydrophobicContact CD1-CB 4.31Å; I140-R151 HydrophobicContact CD1-CG 4.11Å; I140-R151 HydrophobicContact CG1-CB 4.29Å; I140-R151 HydrophobicContact CG1-CG 4.37Å
152	H	96.6	Very high	97.7	Very high	155 Å²	155	73.2 Å²	73.2	72%	0.718	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-2	-179.1	-58.7	-62.8	0	0	0	114.2	P150	P150-H152 PolarHBondContact O-N 3.4Å
153	E	95.8	Very high	97.6	Very high	76 Å²	76	75.2 Å²	75.2	36%	0.355	36%	0.363	S	S	.	.			trans	-140.4	66.7	179.9	-59.3	-170.7	-98.8	0	0	112.2	P150 A155 K156	P150-E153 HydrophobicContact CB-CB 4.21Å; P150-E153 HydrophobicContact CG-CB 4.31Å; P150-E153 CarbonylContact O-C 3.56Å; P150-E153 PolarHBondContact O-N 2.71Å; E153-A155 PolarHBondContact O-N 3.25Å; E153-K156 HydrophobicContact CB-CD 4.21Å; E153-K156 HydrophobicContact CB-CG 4.44Å; E153-K156 VanDerWaalsContact CD-NZ 3.3Å; E153-K156 PolarHBondContact O-N 3.28Å; E153-K156 IonicContact OE1-NZ 3.22Å; E153-K156 PolarHBondContact OE1-NZ 3.03Å; E153-K156 WeakPolarHBondContact OE2-CD 3.32Å; E153-K156 WeakPolarHBondContact OE2-CE 3.4Å; E153-K156 IonicContact OE2-NZ 2.63Å; E153-K156 PolarHBondContact OE2-NZ 3.06Å
154	P	95.3	Very high	97.4	Very high	72 Å²	72	77.5 Å²	77.5	47%	0.468	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.4	-172.8	-23.8	34.9	0	0	0	115.7	Y149 K156 K157	Y149-P154 HydrophobicContact CD2-CB 3.92Å; Y149-P154 HydrophobicContact CD2-CG 4.37Å; Y149-P154 HydrophobicContact CE2-CB 4.05Å; Y149-P154 HydrophobicContact CE2-CG 4.37Å; P154-K156 VanDerWaalsContact C-N 3.32Å; P154-K157 VanDerWaalsContact O-CG 3.32Å; P154-K157 WeakPolarHBondContact O-CG 3.37Å
155	A	97.1	Very high	97.1	Very high	100 Å²	100	74 Å²	74	83%	0.826	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.3	174.9	0	0	0	0	0	113.2	E153 K157	E153-A155 PolarHBondContact O-N 3.25Å; A155-K157 VanDerWaalsContact C-N 3.32Å; A155-K157 PolarHBondContact O-N 3.4Å; A155-K157 VanDerWaalsContact O-N 3.07Å
156	K	96.4	Very high	96.6	Very high	124 Å²	124	74 Å²	74	54%	0.539	36%	0.362	S	S	.	.	S	Bend	trans	-87.4	70.6	-178.8	-71.3	-178	176.9	167.1	0	110.9	P150 E153 P154	P150-K156 WeakPolarHBondContact CD-O 3.45Å; P150-K156 HydrophobicContact CG-CB 4.43Å; E153-K156 HydrophobicContact CB-CD 4.21Å; E153-K156 HydrophobicContact CB-CG 4.44Å; E153-K156 VanDerWaalsContact CD-NZ 3.3Å; E153-K156 PolarHBondContact O-N 3.28Å; E153-K156 IonicContact OE1-NZ 3.22Å; E153-K156 PolarHBondContact OE1-NZ 3.03Å; E153-K156 WeakPolarHBondContact OE2-CD 3.32Å; E153-K156 WeakPolarHBondContact OE2-CE 3.4Å; E153-K156 IonicContact OE2-NZ 2.63Å; E153-K156 PolarHBondContact OE2-NZ 3.06Å; P154-K156 VanDerWaalsContact C-N 3.32Å
157	K	97.7	Very high	96.4	Very high	107 Å²	107	72.4 Å²	72.4	47%	0.465	36%	0.356	S	S	.	.			trans	-85.6	149.9	-177.5	-62.6	-178.9	164.2	-157	0	112.9	E147 Q148 Y149 P154 A155	E147-K157 WeakPolarHBondContact OE2-CD 3.26Å; E147-K157 WeakPolarHBondContact OE2-CE 3.31Å; E147-K157 IonicContact OE2-NZ 3.69Å; E147-K157 PolarHBondContact OE2-NZ 3.19Å; Q148-K157 CarbonylContact O-C 3.58Å; Q148-K157 WeakPolarHBondContact O-CA 3.45Å; Y149-K157 HydrophobicContact CD1-CG 4.41Å; P154-K157 VanDerWaalsContact O-CG 3.32Å; P154-K157 WeakPolarHBondContact O-CG 3.37Å; A155-K157 VanDerWaalsContact C-N 3.32Å; A155-K157 PolarHBondContact O-N 3.4Å; A155-K157 VanDerWaalsContact O-N 3.07Å
158	R	98.3	Very high	96.1	Very high	106 Å²	106	74.4 Å²	74.4	40%	0.4	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.7	164.4	-61.1	169.3	177.2	-83.9	-5.3	107.8	E103 E147 Q148	E103-R158 HydrophobicContact CB-CB 4.34Å; E103-R158 VanDerWaalsContact O-CD 3.31Å; E103-R158 WeakPolarHBondContact O-CD 3.32Å; E103-R158 PolarHBondContact O-NH1 3.3Å; E147-R158 CarbonylContact C-O 3.59Å; E147-R158 WeakPolarHBondContact CA-O 3.2Å; Q148-R158 HydrophobicContact CG-CB 3.81Å; Q148-R158 PolarHBondContact N-O 3.06Å; Q148-R158 PolarHBondContact O-N 2.8Å
159	R	98.6	Very high	95.8	Very high	129 Å²	129	75.8 Å²	75.8	49%	0.487	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	148	171.4	-63.2	-178.3	-67	168.3	-0.8	110.3	Y102 E103 W108 M146	Y102-R159 WeakPolarHBondContact CA-O 3.31Å; E103-R159 HydrophobicContact CB-CB 4.16Å; E103-R159 WeakPolarHBondContact CB-O 3.22Å; E103-R159 VanDerWaalsContact CD-NE 3.35Å; E103-R159 PolarHBondContact N-O 3.2Å; E103-R159 IonicContact OE1-CZ 2.67Å; E103-R159 IonicContact OE1-NE 2.92Å; E103-R159 PolarHBondContact OE1-NE 3.39Å; E103-R159 IonicContact OE1-NH2 2.72Å; E103-R159 PolarHBondContact OE1-NH2 2.98Å; E103-R159 WeakPolarHBondContact OE2-CB 3.33Å; E103-R159 WeakPolarHBondContact OE2-CG 3.4Å; E103-R159 IonicContact OE2-CZ 3.77Å; E103-R159 PolarHBondContact OE2-N 2.91Å; E103-R159 IonicContact OE2-NE 3.18Å; E103-R159 PolarHBondContact OE2-NE 2.97Å; E103-R159 IonicContact OE2-NH2 3.81Å; W108-R159 HydrophobicContact CH2-CB 3.79Å; W108-R159 HydrophobicContact CZ3-CB 4.28Å; W108-R159 WeakPolarHBondContact CZ3-O 3.34Å; M146-R159 WeakPolarHBondContact O-CA 3.24Å
160	V	98.6	Very high	95.6	Very high	6 Å²	6	75.3 Å²	75.3	4%	0.036	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	156.5	169.4	-54.8	0	0	0	0	109.7	W100 F101 Y111 I141 M146 Q148	W100-V160 HydrophobicContact CZ3-CG2 4.47Å; F101-V160 CarbonylContact O-C 3.49Å; F101-V160 WeakPolarHBondContact O-CA 3.18Å; F101-V160 WeakPolarHBondContact O-CB 3.07Å; Y111-V160 HydrophobicContact CE2-CG1 4.36Å; Y111-V160 WeakPolarHBondContact OH-CG1 3.37Å; I141-V160 HydrophobicContact CG2-CG1 4.32Å; I141-V160 HydrophobicContact CG2-CG2 4.11Å; M146-V160 VanDerWaalsContact C-CG2 3.41Å; M146-V160 HydrophobicContact CB-CG2 4.34Å; M146-V160 HydrophobicContact CE-CG2 4.33Å; M146-V160 PolarHBondContact O-N 2.92Å; Q148-V160 HydrophobicContact CB-CG1 3.8Å; Q148-V160 HydrophobicContact CG-CG1 3.74Å
161	K	98.4	Very high	95.3	Very high	45 Å²	45	75 Å²	75	20%	0.196	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	152.8	174.2	66.2	173.2	-174.1	162.9	0	111.3	W100 F101 W108 D163	W100-K161 CarbonylContact C-O 3.51Å; W100-K161 WeakPolarHBondContact CA-O 3.1Å; F101-K161 HydrophobicContact CB-CG 3.84Å; F101-K161 HydrophobicContact CD2-CG 4.3Å; F101-K161 HydrophobicContact CG-CG 4.44Å; F101-K161 PolarHBondContact N-O 3.26Å; F101-K161 PolarHBondContact O-N 2.91Å; W108-K161 HydrophobicContact CD2-CD 3.97Å; W108-K161 HydrophobicContact CD2-CG 4.31Å; W108-K161 HydrophobicContact CE3-CD 4.04Å; W108-K161 HydrophobicContact CE3-CG 3.86Å; W108-K161 HydrophobicContact CH2-CB 4.34Å; W108-K161 HydrophobicContact CH2-CD 4.09Å; W108-K161 HydrophobicContact CH2-CG 4.08Å; W108-K161 HydrophobicContact CZ2-CD 4.02Å; W108-K161 HydrophobicContact CZ3-CB 4.25Å; W108-K161 HydrophobicContact CZ3-CD 4.1Å; W108-K161 HydrophobicContact CZ3-CG 3.74Å; K161-D163 HydrophobicContact CD-CB 4.25Å; K161-D163 WeakPolarHBondContact CE-OD2 3.46Å; K161-D163 HydrophobicContact CG-CB 4.49Å; K161-D163 IonicContact NZ-OD2 3.3Å; K161-D163 PolarHBondContact NZ-OD2 3.41Å
162	R	97.5	Very high	95.1	Very high	94 Å²	94	69.1 Å²	69.1	36%	0.355	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.1	164.8	-171.4	-178.8	-178.4	-79.7	3.3	107.8	T98 A99 W100 E120	T98-R162 PolarHBondContact OG1-NH2 2.86Å; A99-R162 WeakPolarHBondContact O-CA 3.32Å; W100-R162 HydrophobicContact CD2-CB 4.08Å; W100-R162 HydrophobicContact CD2-CG 4.39Å; W100-R162 HydrophobicContact CE3-CB 4.17Å; W100-R162 HydrophobicContact CH2-CB 3.95Å; W100-R162 HydrophobicContact CZ2-CB 3.83Å; W100-R162 HydrophobicContact CZ2-CG 4.01Å; W100-R162 HydrophobicContact CZ3-CB 4.13Å; E120-R162 IonicContact OE1-CZ 3.27Å; E120-R162 VanDerWaalsContact OE1-CZ 3.27Å; E120-R162 IonicContact OE1-NE 3.04Å; E120-R162 PolarHBondContact OE1-NE 2.97Å; E120-R162 IonicContact OE1-NH2 2.68Å; E120-R162 PolarHBondContact OE1-NH2 3.27Å; E120-R162 IonicContact OE2-CZ 3.73Å; E120-R162 IonicContact OE2-NE 2.88Å; E120-R162 PolarHBondContact OE2-NE 3.29Å; E120-R162 IonicContact OE2-NH2 3.76Å
163	D	96.3	Very high	94.9	Very high	52 Å²	52	62 Å²	62	28%	0.278	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	175.4	-172.3	-154.3	-26.3	0	0	0	109.6	T98 A99 F101 K161 S167	T98-D163 CarbonylContact C-O 3.5Å; T98-D163 VanDerWaalsContact CA-O 3.22Å; T98-D163 WeakPolarHBondContact CA-O 3.19Å; A99-D163 PolarHBondContact N-O 2.81Å; A99-D163 PolarHBondContact O-N 3.07Å; A99-D163 VanDerWaalsContact O-O 3.13Å; F101-D163 HydrophobicContact CD2-CB 3.93Å; F101-D163 HydrophobicContact CE2-CB 3.74Å; K161-D163 HydrophobicContact CD-CB 4.25Å; K161-D163 WeakPolarHBondContact CE-OD2 3.46Å; K161-D163 HydrophobicContact CG-CB 4.49Å; K161-D163 IonicContact NZ-OD2 3.3Å; K161-D163 PolarHBondContact NZ-OD2 3.41Å; D163-S167 PolarHBondContact OD1-OG 3.17Å; D163-S167 PolarHBondContact OD2-OG 3.45Å
164	L	93.9	Very high	94.7	Very high	66 Å²	66	59.4 Å²	59.4	35%	0.346	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	144.2	173.3	-59.7	-177.8	0	0	0	110.5	T98 F101 S166 S167	T98-L164 HydrophobicContact CG2-CD2 4.3Å; F101-L164 WeakPolarHBondContact CZ-O 3.41Å; L164-S166 PolarHBondContact O-N 3.06Å; L164-S167 WeakPolarHBondContact O-CB 3.42Å; L164-S167 PolarHBondContact O-N 3.06Å; L164-S167 PolarHBondContact O-OG 2.88Å
165	V	90.7	Very high	94.4	Very high	20 Å²	20	56 Å²	56	12%	0.121	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-34	173.8	165.4	0	0	0	0	111.5	D87 L90 A97 A99 S167	D87-V165 HydrophobicContact CB-CG1 4.46Å; D87-V165 WeakPolarHBondContact OD1-CG1 3.47Å; L90-V165 HydrophobicContact CB-CG2 4.24Å; L90-V165 HydrophobicContact CD1-CG2 4.17Å; A97-V165 HydrophobicContact CB-CB 4.24Å; A97-V165 HydrophobicContact CB-CG2 3.69Å; A97-V165 WeakPolarHBondContact O-CB 3.34Å; A97-V165 WeakPolarHBondContact O-CG2 3.48Å; A97-V165 PolarHBondContact O-N 3.09Å; A99-V165 HydrophobicContact CB-CG2 3.76Å; V165-S167 VanDerWaalsContact C-N 3.26Å; V165-S167 PolarHBondContact O-N 2.86Å
166	S	89	Confident	94	Very high	107 Å²	107	53.6 Å²	53.6	75%	0.748	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-7	177.2	57.7	0	0	0	0	114.6	L164	L164-S166 PolarHBondContact O-N 3.06Å
167	S	92.6	Very high	92.9	Very high	25 Å²	25	52 Å²	52	18%	0.175	27%	0.272	C	S	.	.	S	Bend	trans	-65.5	145.4	-179.7	-70.6	0	0	0	0	111.5	D163 L164 V165 S169	D163-S167 PolarHBondContact OD1-OG 3.17Å; D163-S167 PolarHBondContact OD2-OG 3.45Å; L164-S167 WeakPolarHBondContact O-CB 3.42Å; L164-S167 PolarHBondContact O-N 3.06Å; L164-S167 PolarHBondContact O-OG 2.88Å; V165-S167 VanDerWaalsContact C-N 3.26Å; V165-S167 PolarHBondContact O-N 2.86Å; S167-S169 PolarHBondContact O-N 2.87Å
168	A	92.7	Very high	91.7	Very high	88 Å²	88	53.4 Å²	53.4	73%	0.727	29%	0.289	S	S	*	.			trans	-53.9	126.6	-173.3	0	0	0	0	0	112.3
169	S	93.1	Very high	90.2	Very high	35 Å²	35	51.2 Å²	51.2	25%	0.245	29%	0.293	C	S	.	.			trans	-145.1	152.3	176.7	67.8	0	0	0	0	111.1	W108 S167 G171	W108-S169 WeakPolarHBondContact O-CA 3.49Å; S167-S169 PolarHBondContact O-N 2.87Å; S169-G171 PolarHBondContact O-N 2.9Å
170	K	93.1	Very high	88.9	Confident	44 Å²	44	45.6 Å²	45.6	19%	0.191	27%	0.273	C	S	.	.	S	Bend	trans	-76.1	-12.8	176.9	-67.8	170.3	-69.7	-166	0	112.8	G104 R105 G107 W108 W109 N176 F177	G104-K170 VanDerWaalsContact CA-NZ 3.34Å; R105-K170 PolarHBondContact O-NZ 3.04Å; G107-K170 VanDerWaalsContact C-CE 3.42Å; G107-K170 VanDerWaalsContact C-NZ 3.33Å; G107-K170 VanDerWaalsContact O-CE 3.31Å; G107-K170 WeakPolarHBondContact O-CE 3.37Å; G107-K170 PolarHBondContact O-NZ 2.98Å; W108-K170 WeakPolarHBondContact O-CE 3.15Å; W108-K170 PolarHBondContact O-N 2.8Å; W109-K170 HydrophobicContact CD2-CB 4.1Å; W109-K170 VanDerWaalsContact CE2-CE 3.49Å; W109-K170 HydrophobicContact CE3-CB 4.01Å; W109-K170 HydrophobicContact CH2-CB 3.89Å; W109-K170 HydrophobicContact CZ2-CB 3.99Å; W109-K170 HydrophobicContact CZ2-CD 4.23Å; W109-K170 HydrophobicContact CZ3-CB 3.9Å; W109-K170 VanDerWaalsContact NE1-CE 3.3Å; W109-K170 VanDerWaalsContact NE1-NZ 3.19Å; K170-N176 WeakPolarHBondContact O-CA 3.42Å; K170-N176 VanDerWaalsContact O-CG 3.31Å; K170-N176 PolarHBondContact O-OD1 2.63Å; K170-F177 PolarHBondContact O-N 2.97Å
171	G	92.6	Very high	87.9	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.1	-167.4	-165.1	0	0	0	0	0	112.1	R110 S169 V175 F177	R110-G171 PolarHBondContact N-O 2.88Å; S169-G171 PolarHBondContact O-N 2.9Å; G171-V175 CarbonylContact C-O 3.44Å; G171-V175 WeakPolarHBondContact CA-O 3.03Å; G171-F177 VanDerWaalsContact CA-CE2 3.42Å
172	I	93	Very high	86.8	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.2	-173.3	-57.3	158.2	0	0	0	109.4	Y31 F32 T86 R110 Y111 G174 V175 F177	Y31-I172 HydrophobicContact CE1-CG2 4.18Å; Y31-I172 WeakPolarHBondContact OH-CG2 3.32Å; F32-I172 HydrophobicContact CE2-CB 3.7Å; F32-I172 HydrophobicContact CE2-CD1 4.3Å; F32-I172 HydrophobicContact CE2-CG2 3.75Å; F32-I172 HydrophobicContact CZ-CB 3.95Å; F32-I172 HydrophobicContact CZ-CD1 3.72Å; F32-I172 HydrophobicContact CZ-CG1 4.45Å; F32-I172 HydrophobicContact CZ-CG2 4.28Å; T86-I172 HydrophobicContact CG2-CD1 4Å; R110-I172 HydrophobicContact CB-CG1 4.13Å; R110-I172 WeakPolarHBondContact O-CA 3.41Å; Y111-I172 VanDerWaalsContact O-CG2 3.3Å; Y111-I172 WeakPolarHBondContact O-CG2 3.49Å; I172-G174 PolarHBondContact O-N 3.26Å; I172-V175 PolarHBondContact N-O 2.85Å; I172-V175 WeakPolarHBondContact O-CB 3.49Å; I172-V175 PolarHBondContact O-N 2.83Å; I172-F177 HydrophobicContact CD1-CE1 3.58Å; I172-F177 HydrophobicContact CD1-CZ 3.63Å; I172-F177 HydrophobicContact CG1-CE1 3.88Å; I172-F177 HydrophobicContact CG1-CZ 3.59Å
173	A	92.5	Very high	85.9	Confident	5 Å²	5	48.4 Å²	48.4	4%	0.041	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	53	25	175.4	0	0	0	0	0	115.2	F44 L45 Y102 R110 D112	F44-A173 VanDerWaalsContact CE1-O 3.29Å; F44-A173 WeakPolarHBondContact CE1-O 3.44Å; L45-A173 HydrophobicContact CD1-CB 4.02Å; L45-A173 HydrophobicContact CD2-CB 4.11Å; L45-A173 HydrophobicContact CG-CB 4.13Å; Y102-A173 VanDerWaalsContact OH-C 3.29Å; Y102-A173 WeakPolarHBondContact OH-CA 3.39Å; R110-A173 PolarHBondContact O-N 2.9Å; D112-A173 HydrophobicContact CB-CB 4.05Å
174	G	91.1	Very high	84.7	Confident	21 Å²	21	56 Å²	56	22%	0.216	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	-4.6	-177.3	0	0	0	0	0	115.5	Y102 I172	Y102-G174 PolarHBondContact OH-N 2.63Å; I172-G174 PolarHBondContact O-N 3.26Å
175	V	90.4	Very high	84.2	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	112.8	169.8	-178.4	0	0	0	0	108	F32 F44 V75 G171 I172 T180 W182	F32-V175 HydrophobicContact CB-CG2 3.89Å; F32-V175 HydrophobicContact CD1-CG1 4.31Å; F32-V175 HydrophobicContact CD2-CB 4.19Å; F32-V175 HydrophobicContact CD2-CG2 3.86Å; F32-V175 HydrophobicContact CG-CB 4.28Å; F32-V175 HydrophobicContact CG-CG1 4.27Å; F32-V175 HydrophobicContact CG-CG2 3.91Å; F44-V175 HydrophobicContact CB-CG2 3.84Å; F44-V175 HydrophobicContact CD1-CG2 3.45Å; F44-V175 VanDerWaalsContact CD1-CG2 3.45Å; F44-V175 HydrophobicContact CD2-CG2 3.94Å; F44-V175 HydrophobicContact CE1-CG2 3.93Å; F44-V175 HydrophobicContact CE2-CG2 4.39Å; F44-V175 HydrophobicContact CG-CG2 3.45Å; F44-V175 VanDerWaalsContact CG-CG2 3.45Å; F44-V175 HydrophobicContact CZ-CG2 4.37Å; V75-V175 HydrophobicContact CG2-CG1 4.1Å; G171-V175 CarbonylContact C-O 3.44Å; G171-V175 WeakPolarHBondContact CA-O 3.03Å; I172-V175 PolarHBondContact N-O 2.85Å; I172-V175 WeakPolarHBondContact O-CB 3.49Å; I172-V175 PolarHBondContact O-N 2.83Å; V175-T180 HydrophobicContact CG1-CG2 3.89Å; V175-T180 WeakPolarHBondContact CG1-OG1 3.49Å; V175-W182 HydrophobicContact CG1-CH2 4.19Å; V175-W182 HydrophobicContact CG1-CZ2 4.31Å
176	N	86.7	Confident	83.9	Confident	49 Å²	49	57.4 Å²	57.4	26%	0.262	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	133.3	-176.4	-172.7	-48.6	0	0	0	110.4	W109 K170 V178 A179 T180	W109-N176 HydrophobicContact CH2-CB 4.08Å; W109-N176 HydrophobicContact CZ3-CB 4.44Å; K170-N176 WeakPolarHBondContact O-CA 3.42Å; K170-N176 VanDerWaalsContact O-CG 3.31Å; K170-N176 PolarHBondContact O-OD1 2.63Å; N176-V178 VanDerWaalsContact C-N 3.26Å; N176-V178 PolarHBondContact O-N 3.47Å; N176-V178 PolarHBondContact OD1-N 3.27Å; N176-A179 HydrophobicContact CB-CB 3.96Å; N176-A179 PolarHBondContact OD1-N 3.22Å; N176-T180 PolarHBondContact N-OG1 3.14Å; N176-T180 WeakPolarHBondContact O-CB 3.26Å; N176-T180 PolarHBondContact O-N 3.46Å; N176-T180 PolarHBondContact O-OG1 3.27Å
177	F	73.5	Confident	83.6	Confident	91 Å²	91	54.7 Å²	54.7	40%	0.399	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.7	-179.6	-64.2	-51	0	0	0	113.9	K170 G171 I172	K170-F177 PolarHBondContact O-N 2.97Å; G171-F177 VanDerWaalsContact CA-CE2 3.42Å; I172-F177 HydrophobicContact CD1-CE1 3.58Å; I172-F177 HydrophobicContact CD1-CZ 3.63Å; I172-F177 HydrophobicContact CG1-CE1 3.88Å; I172-F177 HydrophobicContact CG1-CZ 3.59Å
178	V	73	Confident	83.1	Confident	136 Å²	136	56.4 Å²	56.4	82%	0.824	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-39.7	-174.8	-177.5	0	0	0	0	112.2	N176	N176-V178 VanDerWaalsContact C-N 3.26Å; N176-V178 PolarHBondContact O-N 3.47Å; N176-V178 PolarHBondContact OD1-N 3.27Å
179	A	68.1	Low	82.5	Confident	59 Å²	59	54.4 Å²	54.4	49%	0.488	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-18.8	-172.2	0	0	0	0	0	113.8	N72 N176	N72-A179 PolarHBondContact OD1-O 3.15Å; N176-A179 HydrophobicContact CB-CB 3.96Å; N176-A179 PolarHBondContact OD1-N 3.22Å
180	T	70.6	Confident	81.8	Confident	11 Å²	11	55.7 Å²	55.7	7%	0.067	30%	0.299	C	S	.	.	S	Bend	trans	-74	134.6	-179	-57.5	0	0	0	0	110.1	P73 V75 V175 N176 W182	P73-T180 HydrophobicContact CG-CG2 4.32Å; P73-T180 WeakPolarHBondContact O-CG2 3.34Å; V75-T180 HydrophobicContact CB-CG2 3.78Å; V75-T180 HydrophobicContact CG2-CG2 3.42Å; V75-T180 VanDerWaalsContact CG2-CG2 3.42Å; V175-T180 HydrophobicContact CG1-CG2 3.89Å; V175-T180 WeakPolarHBondContact CG1-OG1 3.49Å; N176-T180 PolarHBondContact N-OG1 3.14Å; N176-T180 WeakPolarHBondContact O-CB 3.26Å; N176-T180 PolarHBondContact O-N 3.46Å; N176-T180 PolarHBondContact O-OG1 3.27Å; T180-W182 HydrophobicContact CG2-CD2 4.37Å; T180-W182 HydrophobicContact CG2-CZ2 4.18Å
181	S	76.8	Confident	81	Confident	42 Å²	42	56.6 Å²	56.6	29%	0.294	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	118.3	171.6	46	0	0	0	0	109.3	P73 K74 V75	P73-S181 PolarHBondContact O-N 2.72Å; P73-S181 PolarHBondContact O-OG 3.47Å; K74-S181 CarbonylContact C-O 3.36Å; K74-S181 WeakPolarHBondContact CA-O 3.3Å; K74-S181 WeakPolarHBondContact CG-OG 3.48Å; V75-S181 PolarHBondContact N-O 3.05Å
182	W	74.8	Confident	80.1	Confident	106 Å²	106	60.9 Å²	60.9	40%	0.402	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	128.8	177.4	-57.8	95.2	0	0	0	109	F32 V75 C77 V175 T180	F32-W182 AromaticContact CD1-CH2 3.64Å; F32-W182 HydrophobicContact CD1-CH2 3.64Å; F32-W182 AromaticContact CD1-CZ3 3.97Å; F32-W182 HydrophobicContact CD1-CZ3 3.97Å; F32-W182 AromaticContact CE1-CH2 3.74Å; F32-W182 HydrophobicContact CE1-CH2 3.74Å; F32-W182 HydrophobicContact CE1-CZ3 4.35Å; V75-W182 HydrophobicContact CB-CD2 4.5Å; V75-W182 HydrophobicContact CB-CE3 3.76Å; V75-W182 HydrophobicContact CB-CH2 4.36Å; V75-W182 HydrophobicContact CB-CZ3 3.71Å; V75-W182 HydrophobicContact CG1-CE3 3.7Å; V75-W182 HydrophobicContact CG1-CH2 4.07Å; V75-W182 HydrophobicContact CG1-CZ3 3.26Å; V75-W182 VanDerWaalsContact O-CA 3.32Å; V75-W182 WeakPolarHBondContact O-CA 3.48Å; C77-W182 HydrophobicContact CB-CE3 4.26Å; V175-W182 HydrophobicContact CG1-CH2 4.19Å; V175-W182 HydrophobicContact CG1-CZ2 4.31Å; T180-W182 HydrophobicContact CG2-CD2 4.37Å; T180-W182 HydrophobicContact CG2-CZ2 4.18Å
183	I	79.2	Confident	79	Confident	57 Å²	57	65.9 Å²	65.9	29%	0.292	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.6	179.2	59.4	171.6	0	0	0	110.1	V35 K74 V75 Y76 C77	V35-I183 HydrophobicContact CB-CD1 4.33Å; V35-I183 HydrophobicContact CG2-CD1 4.07Å; K74-I183 HydrophobicContact CB-CD1 4.25Å; V75-I183 PolarHBondContact O-N 3.17Å; Y76-I183 CarbonylContact C-O 3.51Å; Y76-I183 WeakPolarHBondContact CA-O 3.45Å; Y76-I183 HydrophobicContact CD2-CG1 4.22Å; C77-I183 PolarHBondContact N-O 3.48Å
184	E	71.6	Confident	77.8	Confident	212 Å²	212	71.5 Å²	71.5	99%	0.991	39%	0.386	S	S	*	.			trans	-83.4	0	174.5	-65.4	-178.2	163.8	0	0	112.7	Y76	Y76-E184 WeakPolarHBondContact CE2-O 3.4Å; Y76-E184 WeakPolarHBondContact CE2-OXT 3.46Å; Y76-E184 PolarHBondContact OH-OXT 3.08Å; Y76-E184 VanDerWaalsContact OH-OXT 3.09Å

Retrieved 184 of 184 residues in 103.8 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).