G4VSP2_SCHMA Loading...

PITH domain-containing protein

AlphaFold DB , UniProt , Accession G4VSP2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 213 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37	Very low	34.5	Very low	210 Å²	210	146.9 Å²	146.9	100%	1.034	75%	0.752	S	S	*	*				0	80.1	0	-170	-172	-74.2	0	0	107.7	H3	M1-H3 PolarHBondContact O-N 3.33Å
2	V	34.5	Very low	34.7	Very low	129 Å²	129	148.1 Å²	148.1	78%	0.782	76%	0.761	S	S	*	*			trans	-88	95.3	175.8	-82.8	0	0	0	0	107.4	F4	V2-F4 PolarHBondContact O-N 3.38Å
3	H	30.8	Very low	35.3	Very low	145 Å²	145	148.5 Å²	148.5	67%	0.671	76%	0.758	S	S	*	*			trans	-65.9	110.4	169.3	-87.4	-99.6	0	0	0	107.7	M1 I5	M1-H3 PolarHBondContact O-N 3.33Å; H3-I5 VanDerWaalsContact C-N 3.25Å; H3-I5 HydrophobicContact CB-CG1 4.39Å; H3-I5 PolarHBondContact O-N 3.48Å
4	F	31.6	Very low	35.7	Very low	177 Å²	177	145.4 Å²	145.4	78%	0.776	76%	0.756	S	S	*	*			trans	-66.7	93.4	161.9	-78.8	-92.4	0	0	0	107	V2 Y6	V2-F4 PolarHBondContact O-N 3.38Å; F4-Y6 PolarHBondContact O-N 3.48Å
5	I	33.6	Very low	36	Very low	137 Å²	137	146.7 Å²	146.7	70%	0.703	76%	0.762	S	S	*	*			trans	-71	98	172.4	-63.2	171.7	0	0	0	105.8	H3 S7	H3-I5 VanDerWaalsContact C-N 3.25Å; H3-I5 HydrophobicContact CB-CG1 4.39Å; H3-I5 PolarHBondContact O-N 3.48Å; I5-S7 PolarHBondContact O-N 3.27Å
6	Y	36.4	Very low	36.1	Very low	203 Å²	203	142.5 Å²	142.5	80%	0.796	77%	0.766	S	S	*	*			trans	-64.3	95.3	158.7	-74	-87.8	0	0	0	106.4	F4 C8	F4-Y6 PolarHBondContact O-N 3.48Å; Y6-C8 PolarHBondContact O-N 3.2Å
7	S	31.6	Very low	36	Very low	89 Å²	89	140.6 Å²	140.6	62%	0.622	77%	0.766	S	S	*	*			trans	-66.5	80.2	167.3	-69.7	0	0	0	0	108	I5 H9	I5-S7 PolarHBondContact O-N 3.27Å; S7-H9 VanDerWaalsContact C-N 3.29Å; S7-H9 PolarHBondContact O-N 2.67Å
8	C	33.9	Very low	36.1	Very low	99 Å²	99	143 Å²	143	67%	0.669	77%	0.771	S	S	*	*			trans	-62.4	98.8	165.1	-151.6	0	0	0	0	105.5	Y6 M10	Y6-C8 PolarHBondContact O-N 3.2Å; C8-M10 HydrophobicContact CB-CE 4.49Å; C8-M10 WeakPolarHBondContact O-CE 3.48Å; C8-M10 PolarHBondContact O-N 3.5Å
9	H	37.6	Very low	36.3	Very low	165 Å²	165	140.6 Å²	140.6	76%	0.764	77%	0.765	S	S	*	*			trans	-56.4	116.8	174.4	-92.1	66.3	0	0	0	107.5	S7 C11	S7-H9 VanDerWaalsContact C-N 3.29Å; S7-H9 PolarHBondContact O-N 2.67Å; H9-C11 VanDerWaalsContact C-N 3.35Å; H9-C11 PolarHBondContact O-N 3.14Å
10	M	37.7	Very low	36.5	Very low	171 Å²	171	139.4 Å²	139.4	84%	0.842	77%	0.766	S	S	*	*			trans	-63.2	94.4	175.8	-63.4	-74.7	119.3	0	0	108.1	C8 D12	C8-M10 HydrophobicContact CB-CE 4.49Å; C8-M10 WeakPolarHBondContact O-CE 3.48Å; C8-M10 PolarHBondContact O-N 3.5Å; M10-D12 PolarHBondContact O-N 3.33Å
11	C	34.4	Very low	36.9	Very low	91 Å²	91	139.3 Å²	139.3	62%	0.615	76%	0.76	S	S	*	*			trans	-83.3	102.3	167.3	-71.4	0	0	0	0	108	H9 H13	H9-C11 VanDerWaalsContact C-N 3.35Å; H9-C11 PolarHBondContact O-N 3.14Å; C11-H13 PolarHBondContact O-N 3.47Å
12	D	37.7	Very low	37.2	Very low	161 Å²	161	134.1 Å²	134.1	86%	0.861	74%	0.744	S	S	*	*			trans	-68.1	91.2	171.3	-168.2	13.8	0	0	0	108.7	M10	M10-D12 PolarHBondContact O-N 3.33Å
13	H	42.7	Very low	37.8	Very low	154 Å²	154	135.9 Å²	135.9	71%	0.713	74%	0.743	S	S	*	*			trans	-114.5	104.1	177.9	-75.8	-54	0	0	0	111.2	C11 I15	C11-H13 PolarHBondContact O-N 3.47Å; H13-I15 PolarHBondContact O-N 2.81Å
14	S	40	Very low	38.4	Very low	105 Å²	105	137.7 Å²	137.7	73%	0.734	75%	0.749	S	S	*	*			trans	-46.5	122.5	158.5	-174	0	0	0	0	111.5
15	I	41.4	Very low	39.4	Very low	164 Å²	164	132.3 Å²	132.3	84%	0.841	74%	0.737	S	S	*	*	S	Bend	trans	43.2	100.7	150	-63.7	158.1	0	0	0	116.2	H13	H13-I15 PolarHBondContact O-N 2.81Å
16	G	36.4	Very low	40.5	Very low	80 Å²	80	130.4 Å²	130.4	83%	0.825	73%	0.729	S	S	*	*			trans	87.3	58.6	143.1	0	0	0	0	0	117.2
17	S	34.9	Very low	41.4	Very low	111 Å²	111	124.4 Å²	124.4	78%	0.776	71%	0.711	S	S	*	*			trans	-149.1	125.8	158.3	-164.1	0	0	0	0	110.7	C19	S17-C19 PolarHBondContact O-N 3.31Å
18	H	38	Very low	43.1	Very low	183 Å²	183	121.3 Å²	121.3	85%	0.847	69%	0.689	S	S	*	*			trans	-56.5	115.9	179.3	-80.8	-25.8	0	0	0	111.4	C20	H18-C20 VanDerWaalsContact C-N 3.27Å; H18-C20 PolarHBondContact O-N 3.03Å
19	C	40.5	Very low	44.5	Very low	97 Å²	97	119.3 Å²	119.3	66%	0.655	67%	0.674	S	S	*	*			trans	-71.2	82.4	170	-61.9	0	0	0	0	110.1	S17 H21	S17-C19 PolarHBondContact O-N 3.31Å; C19-H21 PolarHBondContact O-N 2.76Å
20	C	39.6	Very low	46.3	Very low	116 Å²	116	116.2 Å²	116.2	78%	0.784	67%	0.671	S	S	*	*			trans	-70.8	87.1	158.6	33.8	0	0	0	0	107.7	H18 S22	H18-C20 VanDerWaalsContact C-N 3.27Å; H18-C20 PolarHBondContact O-N 3.03Å; C20-S22 PolarHBondContact O-N 3.01Å
21	H	45.4	Very low	48.5	Very low	139 Å²	139	111.6 Å²	111.6	64%	0.644	65%	0.647	S	S	*	*			trans	-64.3	83.7	165	-67.3	-74.6	0	0	0	108	C19 H23	C19-H21 PolarHBondContact O-N 2.76Å; H21-H23 PolarHBondContact O-CD2 3.37Å; H21-H23 PolarHBondContact O-N 2.91Å
22	S	43.1	Very low	51.3	Low	100 Å²	100	108.2 Å²	108.2	70%	0.699	62%	0.624	S	S	*	*			trans	-65.6	90.7	157.5	-175	0	0	0	0	105	C20 K24	C20-S22 PolarHBondContact O-N 3.01Å; S22-K24 PolarHBondContact O-N 2.85Å
23	H	46.1	Very low	54	Low	166 Å²	166	100.6 Å²	100.6	77%	0.769	58%	0.583	S	S	*	*			trans	-61.8	83.9	167.3	-69.1	-83.5	0	0	0	106.6	H21 A25	H21-H23 PolarHBondContact O-CD2 3.37Å; H21-H23 PolarHBondContact O-N 2.91Å; H23-A25 PolarHBondContact O-N 2.81Å
24	K	44.1	Very low	56.5	Low	183 Å²	183	97.1 Å²	97.1	80%	0.796	56%	0.564	S	S	*	*			trans	-54	119.5	162.2	-74.5	-177.7	175.8	172.1	0	104.9	S22 D26	S22-K24 PolarHBondContact O-N 2.85Å; K24-D26 PolarHBondContact O-N 3.11Å
25	A	53.3	Low	59	Low	64 Å²	64	101.1 Å²	101.1	53%	0.529	56%	0.563	S	S	.	*			trans	-50.7	111.5	173.3	0	0	0	0	0	106.3	H23 D27 I140	H23-A25 PolarHBondContact O-N 2.81Å; A25-D27 PolarHBondContact O-N 3.3Å; A25-D27 VanDerWaalsContact O-N 3.11Å; A25-I140 HydrophobicContact CB-CD1 4.09Å
26	D	55	Low	61.6	Low	97 Å²	97	95.6 Å²	95.6	52%	0.519	53%	0.533	S	S	.	.			trans	-57.9	120.4	179.1	178.8	18.2	0	0	0	107.1	K24 S28 F31 R175	K24-D26 PolarHBondContact O-N 3.11Å; D26-S28 VanDerWaalsContact CG-OG 3.3Å; D26-S28 PolarHBondContact O-N 2.74Å; D26-S28 WeakPolarHBondContact OD1-CB 3.49Å; D26-S28 PolarHBondContact OD1-N 2.93Å; D26-S28 VanDerWaalsContact OD1-N 3.17Å; D26-S28 WeakPolarHBondContact OD2-CB 3.17Å; D26-S28 PolarHBondContact OD2-OG 2.76Å; D26-F31 HydrophobicContact CB-CE2 4.39Å; D26-R175 PolarHBondContact O-NH1 2.63Å
27	D	57.2	Low	64.4	Low	78 Å²	78	92.3 Å²	92.3	42%	0.417	50%	0.497	S	S	.	.			trans	-80.3	9.9	-178.8	-160.7	32.8	0	0	0	112.4	A25 Y60 R175	A25-D27 PolarHBondContact O-N 3.3Å; A25-D27 VanDerWaalsContact O-N 3.11Å; D27-Y60 PolarHBondContact OD1-OH 3.16Å; D27-Y60 PolarHBondContact OD2-OH 2.94Å; D27-R175 IonicContact OD1-CZ 2.77Å; D27-R175 IonicContact OD1-NH1 3.26Å; D27-R175 PolarHBondContact OD1-NH1 3.2Å; D27-R175 VanDerWaalsContact OD1-NH1 3.07Å; D27-R175 IonicContact OD1-NH2 2.67Å; D27-R175 PolarHBondContact OD1-NH2 3.29Å
28	S	65.3	Low	67.3	Low	23 Å²	23	89.1 Å²	89.1	16%	0.161	47%	0.471	C	S	.	.			trans	-63	136	-179.3	75.1	0	0	0	0	111.6	D26 S30	D26-S28 VanDerWaalsContact CG-OG 3.3Å; D26-S28 PolarHBondContact O-N 2.74Å; D26-S28 WeakPolarHBondContact OD1-CB 3.49Å; D26-S28 PolarHBondContact OD1-N 2.93Å; D26-S28 VanDerWaalsContact OD1-N 3.17Å; D26-S28 WeakPolarHBondContact OD2-CB 3.17Å; D26-S28 PolarHBondContact OD2-OG 2.76Å; S28-S30 PolarHBondContact O-N 2.67Å; S28-S30 PolarHBondContact OG-OG 2.74Å
29	P	64.3	Low	70.1	Confident	57 Å²	57	82.4 Å²	82.4	37%	0.37	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-65.5	-8.6	174.6	27.1	-34.3	0	0	0	112.7	F31 S32 Y60 E61	P29-F31 PolarHBondContact O-N 3.03Å; P29-F31 VanDerWaalsContact O-N 3.09Å; P29-S32 WeakPolarHBondContact O-CB 3.47Å; P29-S32 PolarHBondContact O-N 3.01Å; P29-Y60 HydrophobicContact CB-CD1 3.99Å; P29-Y60 HydrophobicContact CB-CG 4.47Å; P29-E61 WeakPolarHBondContact CB-OE1 3.46Å
30	S	74.9	Confident	72.7	Confident	100 Å²	100	86 Å²	86	70%	0.699	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-55.5	-27.2	-177.7	-54	0	0	0	0	113.7	S28	S28-S30 PolarHBondContact O-N 2.67Å; S28-S30 PolarHBondContact OG-OG 2.74Å
31	F	84.9	Confident	75.4	Confident	75 Å²	75	85.1 Å²	85.1	33%	0.329	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-95	6.1	-179.1	-60.7	-74.6	0	0	0	114	D26 P29 L33 R175 G176	D26-F31 HydrophobicContact CB-CE2 4.39Å; P29-F31 PolarHBondContact O-N 3.03Å; P29-F31 VanDerWaalsContact O-N 3.09Å; F31-L33 PolarHBondContact O-N 3.01Å; F31-R175 HydrophobicContact CB-CB 4.36Å; F31-R175 CarbonylContact O-C 3.48Å; F31-R175 VanDerWaalsContact O-CA 3.22Å; F31-R175 WeakPolarHBondContact O-CA 3.29Å; F31-G176 PolarHBondContact O-N 2.91Å
32	S	92.5	Very high	77.8	Confident	20 Å²	20	79.1 Å²	79.1	14%	0.14	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-65.9	124.7	-179.5	-179.3	0	0	0	0	111.8	P29 Y34	P29-S32 WeakPolarHBondContact O-CB 3.47Å; P29-S32 PolarHBondContact O-N 3.01Å; S32-Y34 VanDerWaalsContact C-N 3.31Å; S32-Y34 WeakPolarHBondContact OG-CB 3.01Å; S32-Y34 PolarHBondContact OG-N 3.06Å
33	L	94.3	Very high	80.4	Confident	1 Å²	1	78.5 Å²	78.5	1%	0.005	39%	0.394	C	S	.	.			trans	-86.8	-1	176.7	-64.8	171.8	0	0	0	112.9	F31 R35 F36 I37 I88 V90 L174	F31-L33 PolarHBondContact O-N 3.01Å; L33-R35 VanDerWaalsContact C-N 3.25Å; L33-R35 PolarHBondContact O-N 3.23Å; L33-R35 VanDerWaalsContact O-N 3.15Å; L33-F36 HydrophobicContact CD2-CD2 4.08Å; L33-F36 PolarHBondContact O-N 2.79Å; L33-I37 PolarHBondContact O-N 2.64Å; L33-I88 HydrophobicContact CD1-CB 4.43Å; L33-I88 HydrophobicContact CD1-CD1 4.11Å; L33-I88 HydrophobicContact CD2-CB 4.4Å; L33-I88 HydrophobicContact CD2-CG2 4.26Å; L33-V90 HydrophobicContact CD1-CG1 4.47Å; L33-V90 HydrophobicContact CD1-CG2 4.39Å; L33-L174 HydrophobicContact CB-CB 4.1Å; L33-L174 WeakPolarHBondContact CB-O 3.37Å; L33-L174 HydrophobicContact CD1-CB 4.21Å; L33-L174 PolarHBondContact N-O 3.11Å
34	Y	95.3	Very high	82.9	Confident	80 Å²	80	71.1 Å²	71.1	31%	0.314	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-48.2	-46.2	-177.5	170.4	-119.6	0	0	0	112.8	S32 F36 I37 I39 F57 P59	S32-Y34 VanDerWaalsContact C-N 3.31Å; S32-Y34 WeakPolarHBondContact OG-CB 3.01Å; S32-Y34 PolarHBondContact OG-N 3.06Å; Y34-F36 PolarHBondContact O-N 3.3Å; Y34-I37 PolarHBondContact O-N 2.86Å; Y34-I39 HydrophobicContact CD2-CD1 4.29Å; Y34-I39 HydrophobicContact CE2-CD1 3.85Å; Y34-I39 HydrophobicContact CE2-CG1 4.25Å; Y34-F57 HydrophobicContact CD2-CB 4.27Å; Y34-F57 VanDerWaalsContact CE2-C 3.46Å; Y34-F57 HydrophobicContact CE2-CB 4.31Å; Y34-F57 WeakPolarHBondContact CE2-O 3.48Å; Y34-P59 HydrophobicContact CD1-CG 4.14Å; Y34-P59 HydrophobicContact CE1-CG 3.75Å
35	R	93.3	Very high	85.5	Confident	189 Å²	189	64.9 Å²	64.9	71%	0.713	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-63.9	-14	-179.5	71.3	178.4	73.7	-132.4	2.4	115	L33	L33-R35 VanDerWaalsContact C-N 3.25Å; L33-R35 PolarHBondContact O-N 3.23Å; L33-R35 VanDerWaalsContact O-N 3.15Å
36	F	94.7	Very high	87.6	Confident	48 Å²	48	63.4 Å²	63.4	21%	0.211	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-107.9	-4.9	-177.5	-55.3	-64.3	0	0	0	112.7	L33 Y34 F84 T85 Y178	L33-F36 HydrophobicContact CD2-CD2 4.08Å; L33-F36 PolarHBondContact O-N 2.79Å; Y34-F36 PolarHBondContact O-N 3.3Å; F36-F84 WeakPolarHBondContact O-CA 3.41Å; F36-T85 PolarHBondContact O-N 2.96Å; F36-T85 PolarHBondContact O-OG1 3.2Å; F36-Y178 HydrophobicContact CB-CD2 3.92Å; F36-Y178 HydrophobicContact CB-CE2 4.29Å; F36-Y178 AromaticContact CD1-CD1 3.92Å; F36-Y178 HydrophobicContact CD1-CD1 3.92Å; F36-Y178 AromaticContact CD1-CD2 3.46Å; F36-Y178 HydrophobicContact CD1-CD2 3.46Å; F36-Y178 VanDerWaalsContact CD1-CD2 3.46Å; F36-Y178 HydrophobicContact CD1-CE1 4.04Å; F36-Y178 AromaticContact CD1-CE2 3.61Å; F36-Y178 HydrophobicContact CD1-CE2 3.61Å; F36-Y178 AromaticContact CD1-CG 3.62Å; F36-Y178 HydrophobicContact CD1-CG 3.62Å; F36-Y178 AromaticContact CD1-CZ 3.89Å; F36-Y178 AromaticContact CD2-CD2 3.99Å; F36-Y178 HydrophobicContact CD2-CD2 3.99Å; F36-Y178 AromaticContact CD2-CG 3.87Å; F36-Y178 HydrophobicContact CD2-CG 3.87Å; F36-Y178 AromaticContact CE1-CD1 3.44Å; F36-Y178 HydrophobicContact CE1-CD1 3.44Å; F36-Y178 VanDerWaalsContact CE1-CD1 3.44Å; F36-Y178 AromaticContact CE1-CD2 3.88Å; F36-Y178 HydrophobicContact CE1-CD2 3.88Å; F36-Y178 AromaticContact CE1-CE1 3.69Å; F36-Y178 HydrophobicContact CE1-CE1 3.69Å; F36-Y178 HydrophobicContact CE1-CE2 4.12Å; F36-Y178 AromaticContact CE1-CG 3.53Å; F36-Y178 HydrophobicContact CE1-CG 3.53Å; F36-Y178 HydrophobicContact CE2-CD1 4.29Å; F36-Y178 HydrophobicContact CE2-CD2 4.36Å; F36-Y178 AromaticContact CE2-CG 3.79Å; F36-Y178 HydrophobicContact CE2-CG 3.79Å; F36-Y178 AromaticContact CG-CD2 3.51Å; F36-Y178 HydrophobicContact CG-CD2 3.51Å; F36-Y178 HydrophobicContact CG-CE2 4.03Å; F36-Y178 AromaticContact CG-CG 3.79Å; F36-Y178 HydrophobicContact CG-CG 3.79Å; F36-Y178 AromaticContact CZ-CD1 3.64Å; F36-Y178 HydrophobicContact CZ-CD1 3.64Å; F36-Y178 HydrophobicContact CZ-CD2 4.31Å; F36-Y178 HydrophobicContact CZ-CE1 4.34Å; F36-Y178 AromaticContact CZ-CG 3.61Å; F36-Y178 HydrophobicContact CZ-CG 3.61Å
37	I	96.1	Very high	89.7	Confident	11 Å²	11	60.4 Å²	60.4	6%	0.056	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-72.2	132	171	-60.1	171.8	0	0	0	108.2	L33 Y34 I39 V42 F57 I82 F84 L174	L33-I37 PolarHBondContact O-N 2.64Å; Y34-I37 PolarHBondContact O-N 2.86Å; I37-I39 HydrophobicContact CB-CD1 3.91Å; I37-I39 HydrophobicContact CB-CG1 4.3Å; I37-I39 HydrophobicContact CG2-CD1 3.57Å; I37-I39 HydrophobicContact CG2-CG1 4.12Å; I37-I39 PolarHBondContact O-N 3.34Å; I37-V42 HydrophobicContact CG2-CG2 3.61Å; I37-F57 HydrophobicContact CD1-CB 4.28Å; I37-F57 HydrophobicContact CD1-CD1 3.58Å; I37-F57 HydrophobicContact CD1-CE1 4.26Å; I37-F57 HydrophobicContact CD1-CG 4.13Å; I37-I82 HydrophobicContact CD1-CG2 4.44Å; I37-I82 HydrophobicContact CG1-CG2 4.24Å; I37-I82 HydrophobicContact CG2-CG2 3.66Å; I37-F84 HydrophobicContact CD1-CE1 4.47Å; I37-F84 HydrophobicContact CG1-CD1 3.94Å; I37-F84 HydrophobicContact CG1-CE1 3.55Å; I37-L174 HydrophobicContact CD1-CD1 4.2Å
38	D	96	Very high	91.6	Very high	45 Å²	45	59.6 Å²	59.6	24%	0.241	30%	0.303	C	S	.	.			trans	-82.1	76.6	169.9	-175.4	0.7	0	0	0	109.6	H40 N41 V42 P83 T85	D38-H40 PolarHBondContact O-N 2.76Å; D38-H40 VanDerWaalsContact O-N 3.08Å; D38-N41 VanDerWaalsContact CG-ND2 3.35Å; D38-N41 CarbonylContact O-C 3.55Å; D38-N41 PolarHBondContact O-N 2.82Å; D38-N41 PolarHBondContact OD1-ND2 3.43Å; D38-N41 PolarHBondContact OD2-ND2 3.36Å; D38-V42 PolarHBondContact O-N 3.34Å; D38-P83 HydrophobicContact CB-CB 4.37Å; D38-P83 HydrophobicContact CB-CG 4.14Å; D38-P83 PolarHBondContact N-O 3.19Å; D38-T85 HydrophobicContact CB-CG2 4.19Å
39	I	96.1	Very high	93.2	Very high	42 Å²	42	63.2 Å²	63.2	22%	0.215	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-54.1	-31	-173.1	-61.7	-70.8	0	0	0	112.4	Y34 I37 N41 V42 K54 F57	Y34-I39 HydrophobicContact CD2-CD1 4.29Å; Y34-I39 HydrophobicContact CE2-CD1 3.85Å; Y34-I39 HydrophobicContact CE2-CG1 4.25Å; I37-I39 HydrophobicContact CB-CD1 3.91Å; I37-I39 HydrophobicContact CB-CG1 4.3Å; I37-I39 HydrophobicContact CG2-CD1 3.57Å; I37-I39 HydrophobicContact CG2-CG1 4.12Å; I37-I39 PolarHBondContact O-N 3.34Å; I39-N41 VanDerWaalsContact C-N 3.28Å; I39-N41 PolarHBondContact O-N 3.45Å; I39-V42 PolarHBondContact O-N 3.17Å; I39-K54 HydrophobicContact CG2-CB 4.35Å; I39-F57 HydrophobicContact CD1-CB 3.52Å; I39-F57 HydrophobicContact CD1-CG 4.27Å
40	H	94.7	Very high	94.7	Very high	172 Å²	172	65.8 Å²	65.8	80%	0.796	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-68.7	-29.2	179.9	-66.7	-64.2	0	0	0	112.9	D38	D38-H40 PolarHBondContact O-N 2.76Å; D38-H40 VanDerWaalsContact O-N 3.08Å
41	N	96	Very high	95.7	Very high	97 Å²	97	62.1 Å²	62.1	52%	0.519	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-105.6	10	-179.7	-66.4	-48.9	0	0	0	112.5	D38 I39 E43 P83	D38-N41 VanDerWaalsContact CG-ND2 3.35Å; D38-N41 CarbonylContact O-C 3.55Å; D38-N41 PolarHBondContact O-N 2.82Å; D38-N41 PolarHBondContact OD1-ND2 3.43Å; D38-N41 PolarHBondContact OD2-ND2 3.36Å; I39-N41 VanDerWaalsContact C-N 3.28Å; I39-N41 PolarHBondContact O-N 3.45Å; N41-E43 PolarHBondContact O-N 3.28Å; N41-P83 HydrophobicContact CB-CG 3.69Å; N41-P83 WeakPolarHBondContact O-CD 3.36Å; N41-P83 VanDerWaalsContact O-CG 3.29Å; N41-P83 WeakPolarHBondContact O-CG 3.4Å
42	V	97.4	Very high	96.3	Very high	13 Å²	13	59 Å²	59	8%	0.079	31%	0.308	C	S	.	.			trans	-69.8	126.8	169.2	171.8	0	0	0	0	108.8	I37 D38 I39 K54 F57 N81 I82	I37-V42 HydrophobicContact CG2-CG2 3.61Å; D38-V42 PolarHBondContact O-N 3.34Å; I39-V42 PolarHBondContact O-N 3.17Å; V42-K54 HydrophobicContact CB-CB 4.25Å; V42-K54 HydrophobicContact CG1-CB 4.29Å; V42-F57 HydrophobicContact CG1-CD2 4.2Å; V42-F57 HydrophobicContact CG1-CE2 3.79Å; V42-N81 WeakPolarHBondContact CA-O 3.41Å; V42-I82 HydrophobicContact CG2-CG2 4.3Å
43	E	97.6	Very high	96.5	Very high	87 Å²	87	58 Å²	58	41%	0.407	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.7	174.2	-66.3	-177.6	112.9	0	0	110	N41 F80 N81 F115	N41-E43 PolarHBondContact O-N 3.28Å; E43-F80 CarbonylContact O-C 3.43Å; E43-F80 WeakPolarHBondContact O-CA 3.46Å; E43-N81 HydrophobicContact CB-CB 4.35Å; E43-N81 PolarHBondContact N-O 2.87Å; E43-N81 VanDerWaalsContact N-O 3.12Å; E43-N81 PolarHBondContact O-N 3.39Å; E43-F115 WeakPolarHBondContact OE2-CD1 3.45Å
44	C	98	Very high	96.6	Very high	11 Å²	11	62.1 Å²	62.1	7%	0.074	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.6	173	-172.9	0	0	0	0	108.3	E47 L79 F80	C44-E47 HydrophobicContact CB-CB 4.47Å; C44-E47 HydrophobicContact CB-CG 4.41Å; C44-L79 CarbonylContact C-O 3.48Å; C44-L79 WeakPolarHBondContact CA-O 3.28Å; C44-F80 HydrophobicContact CB-CD1 4.03Å; C44-F80 HydrophobicContact CB-CE1 4.01Å; C44-F80 WeakPolarHBondContact SG-CE1 3.36Å; C44-F80 VanDerWaalsContact SG-CZ 3.51Å
45	L	98.4	Very high	96.6	Very high	53 Å²	53	62.5 Å²	62.5	28%	0.277	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	148.3	175.4	-49.9	-172.2	0	0	0	110.2	E47 L79 F118	L45-E47 PolarHBondContact O-N 3.19Å; L45-L79 HydrophobicContact CB-CB 4.23Å; L45-L79 HydrophobicContact CD1-CD2 4.07Å; L45-L79 PolarHBondContact N-O 2.9Å; L45-L79 PolarHBondContact O-N 3.5Å; L45-F118 HydrophobicContact CB-CE2 3.6Å; L45-F118 HydrophobicContact CB-CZ 3.97Å; L45-F118 HydrophobicContact CD1-CD2 4.42Å; L45-F118 HydrophobicContact CD1-CE2 4.27Å
46	N	98.1	Very high	96.8	Very high	32 Å²	32	53.5 Å²	53.5	17%	0.171	29%	0.293	C	S	.	.	S	Bend	trans	63.9	20.6	-174.4	-159.2	37.3	0	0	0	114.6	S72 D73 V74 D75 E77 F118	N46-S72 CarbonylContact O-C 3.54Å; N46-S72 WeakPolarHBondContact O-CA 3.4Å; N46-D73 PolarHBondContact O-N 3.22Å; N46-V74 PolarHBondContact OD1-N 2.98Å; N46-D75 PolarHBondContact ND2-OD1 3.04Å; N46-E77 WeakPolarHBondContact CB-O 3.47Å; N46-E77 PolarHBondContact ND2-O 2.81Å; N46-F118 HydrophobicContact CB-CE2 4.08Å; N46-F118 HydrophobicContact CB-CZ 3.76Å
47	E	98	Very high	97	Very high	35 Å²	35	51.5 Å²	51.5	16%	0.164	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-73.9	133.2	169.4	63.1	-179.3	166.6	0	0	111.2	C44 L45 V49 G51 S52 G53 V70 E71	C44-E47 HydrophobicContact CB-CB 4.47Å; C44-E47 HydrophobicContact CB-CG 4.41Å; L45-E47 PolarHBondContact O-N 3.19Å; E47-V49 VanDerWaalsContact OE2-O 3.1Å; E47-G51 PolarHBondContact OE1-N 3.27Å; E47-G51 PolarHBondContact OE2-N 2.79Å; E47-S52 PolarHBondContact OE2-N 2.85Å; E47-S52 PolarHBondContact OE2-OG 2.91Å; E47-S52 VanDerWaalsContact OE2-OG 3.1Å; E47-G53 PolarHBondContact OE2-N 2.96Å; E47-V70 HydrophobicContact CB-CG2 3.73Å; E47-E71 WeakPolarHBondContact CA-O 3.46Å
48	S	97.8	Very high	96.9	Very high	60 Å²	60	51.8 Å²	51.8	42%	0.42	29%	0.285	S	S	.	.	S	Bend	trans	-69.9	-35.5	179.1	-170.6	0	0	0	0	112.3	E71 D73	S48-E71 PolarHBondContact N-O 3.16Å; S48-D73 WeakPolarHBondContact CB-OD1 3.43Å; S48-D73 PolarHBondContact OG-OD1 3.22Å
49	V	98	Very high	96.8	Very high	99 Å²	99	51.6 Å²	51.6	60%	0.6	29%	0.286	S	S	*	.	S	Bend	trans	-108.5	114.7	173.5	-179.7	0	0	0	0	109	E47 G51 S52	E47-V49 VanDerWaalsContact OE2-O 3.1Å; V49-G51 PolarHBondContact O-N 3.18Å; V49-S52 WeakPolarHBondContact O-CB 3.4Å; V49-S52 PolarHBondContact O-N 3.35Å; V49-S52 VanDerWaalsContact O-N 3.08Å; V49-S52 PolarHBondContact O-OG 3.19Å
50	S	96.5	Very high	96.7	Very high	111 Å²	111	50.3 Å²	50.3	78%	0.776	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	129.8	-179.3	-51.7	0	0	0	0	112.4	S52	S50-S52 VanDerWaalsContact C-N 3.33Å
51	G	95.6	Very high	96.6	Very high	23 Å²	23	47.6 Å²	47.6	24%	0.237	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	16.8	-177.7	0	0	0	0	0	114.4	E47 V49 K54	E47-G51 PolarHBondContact OE1-N 3.27Å; E47-G51 PolarHBondContact OE2-N 2.79Å; V49-G51 PolarHBondContact O-N 3.18Å; G51-K54 VanDerWaalsContact O-CE 3.23Å; G51-K54 WeakPolarHBondContact O-CE 3.37Å; G51-K54 VanDerWaalsContact O-CG 3.31Å; G51-K54 WeakPolarHBondContact O-CG 3.31Å
52	S	97.2	Very high	96.5	Very high	9 Å²	9	46.7 Å²	46.7	6%	0.063	26%	0.261	C	S	.	.			trans	-80.1	-34.5	172.4	62.4	0	0	0	0	111.9	E47 V49 S50 K54 L55 V70	E47-S52 PolarHBondContact OE2-N 2.85Å; E47-S52 PolarHBondContact OE2-OG 2.91Å; E47-S52 VanDerWaalsContact OE2-OG 3.1Å; V49-S52 WeakPolarHBondContact O-CB 3.4Å; V49-S52 PolarHBondContact O-N 3.35Å; V49-S52 VanDerWaalsContact O-N 3.08Å; V49-S52 PolarHBondContact O-OG 3.19Å; S50-S52 VanDerWaalsContact C-N 3.33Å; S52-K54 VanDerWaalsContact C-N 3.28Å; S52-K54 PolarHBondContact O-N 2.88Å; S52-L55 WeakPolarHBondContact O-CB 3.49Å; S52-L55 PolarHBondContact O-N 3.44Å; S52-V70 WeakPolarHBondContact OG-CG2 3.39Å
53	G	96.8	Very high	96.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.4	-179.7	0	0	0	0	0	114.8	E47 L55 V56 F80	E47-G53 PolarHBondContact OE2-N 2.96Å; G53-L55 VanDerWaalsContact C-N 3.3Å; G53-V56 WeakPolarHBondContact O-CG2 3.35Å; G53-F80 WeakPolarHBondContact O-CE1 3.43Å
54	K	96.6	Very high	96.2	Very high	87 Å²	87	48.2 Å²	48.2	38%	0.378	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-22.9	172.3	68.1	-171.2	175.1	-167.9	0	113	I39 V42 G51 S52	I39-K54 HydrophobicContact CG2-CB 4.35Å; V42-K54 HydrophobicContact CB-CB 4.25Å; V42-K54 HydrophobicContact CG1-CB 4.29Å; G51-K54 VanDerWaalsContact O-CE 3.23Å; G51-K54 WeakPolarHBondContact O-CE 3.37Å; G51-K54 VanDerWaalsContact O-CG 3.31Å; G51-K54 WeakPolarHBondContact O-CG 3.31Å; S52-K54 VanDerWaalsContact C-N 3.28Å; S52-K54 PolarHBondContact O-N 2.88Å
55	L	96.6	Very high	96.1	Very high	89 Å²	89	50.4 Å²	50.4	47%	0.466	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-17.4	-173.1	-52.7	176.5	0	0	0	112.9	S52 G53 F57 V68	S52-L55 WeakPolarHBondContact O-CB 3.49Å; S52-L55 PolarHBondContact O-N 3.44Å; G53-L55 VanDerWaalsContact C-N 3.3Å; L55-F57 PolarHBondContact O-N 2.95Å; L55-V68 HydrophobicContact CB-CG1 3.32Å; L55-V68 HydrophobicContact CD1-CG1 4.17Å; L55-V68 HydrophobicContact CG-CG1 4.38Å
56	V	97.5	Very high	95.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-13.5	176.7	-50.4	0	0	0	0	112.9	G53 V70 F80 I169 Y171 I172	G53-V56 WeakPolarHBondContact O-CG2 3.35Å; V56-V70 HydrophobicContact CG1-CB 4.04Å; V56-V70 HydrophobicContact CG1-CG1 3.6Å; V56-F80 HydrophobicContact CG2-CE1 4.18Å; V56-I169 WeakPolarHBondContact CG1-O 3.44Å; V56-Y171 WeakPolarHBondContact O-CA 3.37Å; V56-I172 HydrophobicContact CG2-CB 4.26Å; V56-I172 HydrophobicContact CG2-CD1 3.83Å; V56-I172 HydrophobicContact CG2-CG1 3.84Å; V56-I172 PolarHBondContact O-N 3.11Å
57	F	97.3	Very high	95.7	Very high	5 Å²	5	55.1 Å²	55.1	2%	0.022	31%	0.311	C	S	.	.			trans	-85.6	109.4	167.8	-60.2	-79.2	0	0	0	108.3	Y34 I37 I39 V42 L55 F80 I82 I172	Y34-F57 HydrophobicContact CD2-CB 4.27Å; Y34-F57 VanDerWaalsContact CE2-C 3.46Å; Y34-F57 HydrophobicContact CE2-CB 4.31Å; Y34-F57 WeakPolarHBondContact CE2-O 3.48Å; I37-F57 HydrophobicContact CD1-CB 4.28Å; I37-F57 HydrophobicContact CD1-CD1 3.58Å; I37-F57 HydrophobicContact CD1-CE1 4.26Å; I37-F57 HydrophobicContact CD1-CG 4.13Å; I39-F57 HydrophobicContact CD1-CB 3.52Å; I39-F57 HydrophobicContact CD1-CG 4.27Å; V42-F57 HydrophobicContact CG1-CD2 4.2Å; V42-F57 HydrophobicContact CG1-CE2 3.79Å; L55-F57 PolarHBondContact O-N 2.95Å; F57-F80 AromaticContact CE2-CD1 3.93Å; F57-F80 HydrophobicContact CE2-CD1 3.93Å; F57-F80 HydrophobicContact CE2-CE1 4.36Å; F57-F80 HydrophobicContact CZ-CD1 4.16Å; F57-I82 HydrophobicContact CE1-CD1 3.7Å; F57-I82 HydrophobicContact CE1-CG1 4.3Å; F57-I82 HydrophobicContact CE2-CG1 4.39Å; F57-I82 HydrophobicContact CZ-CD1 3.41Å; F57-I82 VanDerWaalsContact CZ-CD1 3.41Å; F57-I82 HydrophobicContact CZ-CG1 3.71Å; F57-I172 HydrophobicContact CD1-CB 4.13Å; F57-I172 HydrophobicContact CD1-CG2 4.33Å; F57-I172 WeakPolarHBondContact CD1-O 3.12Å; F57-I172 HydrophobicContact CE1-CB 3.7Å; F57-I172 HydrophobicContact CE1-CD1 4.48Å; F57-I172 HydrophobicContact CE1-CG2 3.59Å; F57-I172 HydrophobicContact CZ-CB 4.17Å; F57-I172 HydrophobicContact CZ-CD1 4.1Å; F57-I172 HydrophobicContact CZ-CG2 4.19Å
58	K	95	Very high	95.6	Very high	17 Å²	17	55.7 Å²	55.7	7%	0.074	32%	0.317	C	S	.	.			trans	-147.7	172.2	-176.8	58	-176.8	174.1	179.9	0	110.8	D62 D65 H170 Y171	K58-D62 HydrophobicContact CD-CB 3.86Å; K58-D62 WeakPolarHBondContact CE-O 3.5Å; K58-D62 HydrophobicContact CG-CB 4.17Å; K58-D62 PolarHBondContact NZ-O 2.85Å; K58-D65 PolarHBondContact NZ-O 2.82Å; K58-D65 IonicContact NZ-OD2 3.29Å; K58-D65 PolarHBondContact NZ-OD2 2.84Å; K58-H170 WeakPolarHBondContact CE-O 3.32Å; K58-Y171 HydrophobicContact CD-CD2 4.41Å; K58-Y171 HydrophobicContact CG-CD2 3.62Å; K58-Y171 HydrophobicContact CG-CE2 3.93Å; K58-Y171 WeakPolarHBondContact O-CE2 3.34Å
59	P	94.6	Very high	95.6	Very high	41 Å²	41	57.6 Å²	57.6	27%	0.266	32%	0.316	S	S	.	.			trans	-54.1	152.2	175.5	-26.2	36.1	0	0	0	112.8	Y34 E61 D62	Y34-P59 HydrophobicContact CD1-CG 4.14Å; Y34-P59 HydrophobicContact CE1-CG 3.75Å; P59-E61 VanDerWaalsContact CB-OE2 3.29Å; P59-E61 WeakPolarHBondContact CB-OE2 3.48Å; P59-E61 PolarHBondContact O-N 3.36Å; P59-D62 WeakPolarHBondContact CD-OD2 3.07Å; P59-D62 PolarHBondContact O-N 2.82Å; P59-D62 VanDerWaalsContact O-N 3.08Å
60	Y	93.3	Very high	95.6	Very high	15 Å²	15	52.9 Å²	52.9	6%	0.059	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-62.5	-29.8	-176.9	174.9	-107.4	0	0	0	112.6	D27 P29 D62 R63 I94 R175	D27-Y60 PolarHBondContact OD1-OH 3.16Å; D27-Y60 PolarHBondContact OD2-OH 2.94Å; P29-Y60 HydrophobicContact CB-CD1 3.99Å; P29-Y60 HydrophobicContact CB-CG 4.47Å; Y60-D62 PolarHBondContact O-N 3.25Å; Y60-R63 VanDerWaalsContact CZ-NH1 3.32Å; Y60-R63 WeakPolarHBondContact O-CB 3.45Å; Y60-R63 WeakPolarHBondContact O-CD 3.43Å; Y60-R63 VanDerWaalsContact O-CG 3.28Å; Y60-R63 WeakPolarHBondContact O-CG 3.28Å; Y60-R63 PolarHBondContact O-N 2.93Å; Y60-R63 PolarHBondContact O-NH1 3.45Å; Y60-R63 PolarHBondContact OH-NE 2.71Å; Y60-R63 PolarHBondContact OH-NH2 3.24Å; Y60-R63 VanDerWaalsContact OH-NH2 3.13Å; Y60-I94 HydrophobicContact CD2-CD1 4.22Å; Y60-I94 HydrophobicContact CE2-CD1 3.78Å; Y60-R175 PolarHBondContact OH-NH2 3.36Å
61	E	92.8	Very high	95.7	Very high	116 Å²	116	49.5 Å²	49.5	54%	0.542	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-65.6	-31	178.8	-60.7	71.6	-156.4	0	0	111.4	P29 P59 R63	P29-E61 WeakPolarHBondContact CB-OE1 3.46Å; P59-E61 VanDerWaalsContact CB-OE2 3.29Å; P59-E61 WeakPolarHBondContact CB-OE2 3.48Å; P59-E61 PolarHBondContact O-N 3.36Å; E61-R63 VanDerWaalsContact C-N 3.34Å
62	D	94.3	Very high	95.8	Very high	77 Å²	77	48.5 Å²	48.5	41%	0.412	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-91.1	4.8	-177.3	-59.6	-30.1	0	0	0	112.6	K58 P59 Y60 K64 D65	K58-D62 HydrophobicContact CD-CB 3.86Å; K58-D62 WeakPolarHBondContact CE-O 3.5Å; K58-D62 HydrophobicContact CG-CB 4.17Å; K58-D62 PolarHBondContact NZ-O 2.85Å; P59-D62 WeakPolarHBondContact CD-OD2 3.07Å; P59-D62 PolarHBondContact O-N 2.82Å; P59-D62 VanDerWaalsContact O-N 3.08Å; Y60-D62 PolarHBondContact O-N 3.25Å; D62-K64 PolarHBondContact O-N 2.77Å; D62-K64 VanDerWaalsContact O-N 3.11Å; D62-D65 WeakPolarHBondContact O-CB 3.38Å; D62-D65 PolarHBondContact O-N 3.34Å
63	R	94	Very high	95.8	Very high	34 Å²	34	52.3 Å²	52.3	13%	0.128	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.7	-175.8	74.7	-172.9	-177.2	-77.2	4.1	114.7	Y60 E61 D65 G137 Y171	Y60-R63 VanDerWaalsContact CZ-NH1 3.32Å; Y60-R63 WeakPolarHBondContact O-CB 3.45Å; Y60-R63 WeakPolarHBondContact O-CD 3.43Å; Y60-R63 VanDerWaalsContact O-CG 3.28Å; Y60-R63 WeakPolarHBondContact O-CG 3.28Å; Y60-R63 PolarHBondContact O-N 2.93Å; Y60-R63 PolarHBondContact O-NH1 3.45Å; Y60-R63 PolarHBondContact OH-NE 2.71Å; Y60-R63 PolarHBondContact OH-NH2 3.24Å; Y60-R63 VanDerWaalsContact OH-NH2 3.13Å; E61-R63 VanDerWaalsContact C-N 3.34Å; R63-D65 VanDerWaalsContact C-N 3.33Å; R63-G137 VanDerWaalsContact CD-O 3.3Å; R63-G137 WeakPolarHBondContact CD-O 3.29Å; R63-G137 PolarHBondContact NE-O 2.8Å; R63-Y171 HydrophobicContact CB-CD1 3.57Å; R63-Y171 HydrophobicContact CB-CD2 3.77Å; R63-Y171 HydrophobicContact CB-CE1 3.59Å; R63-Y171 HydrophobicContact CB-CE2 3.79Å; R63-Y171 HydrophobicContact CB-CG 3.65Å
64	K	94.6	Very high	95.7	Very high	99 Å²	99	58 Å²	58	43%	0.43	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-9.8	-179.8	-62.2	-167.8	173.8	-152.2	0	113	D62 S66 E138	D62-K64 PolarHBondContact O-N 2.77Å; D62-K64 VanDerWaalsContact O-N 3.11Å; K64-S66 PolarHBondContact O-N 3Å; K64-E138 IonicContact NZ-OE1 2.83Å; K64-E138 PolarHBondContact NZ-OE1 3.19Å
65	D	94.6	Very high	95.7	Very high	56 Å²	56	56.7 Å²	56.7	30%	0.299	30%	0.3	S	S	.	.			trans	-75.9	114.9	174.4	167.7	33.7	0	0	0	109.4	K58 D62 R63 T67	K58-D65 PolarHBondContact NZ-O 2.82Å; K58-D65 IonicContact NZ-OD2 3.29Å; K58-D65 PolarHBondContact NZ-OD2 2.84Å; D62-D65 WeakPolarHBondContact O-CB 3.38Å; D62-D65 PolarHBondContact O-N 3.34Å; R63-D65 VanDerWaalsContact C-N 3.33Å; D65-T67 VanDerWaalsContact CG-OG1 3.27Å; D65-T67 VanDerWaalsContact OD1-CB 3.25Å; D65-T67 WeakPolarHBondContact OD1-CB 3.44Å; D65-T67 VanDerWaalsContact OD1-CG2 3.22Å; D65-T67 WeakPolarHBondContact OD1-CG2 3.31Å; D65-T67 PolarHBondContact OD1-N 3.02Å; D65-T67 PolarHBondContact OD1-OG1 2.72Å; D65-T67 PolarHBondContact OD2-OG1 3.45Å
66	S	94.2	Very high	95.7	Very high	75 Å²	75	55.9 Å²	55.9	52%	0.524	29%	0.293	S	S	.	.			trans	-99.8	7	178.2	57.3	0	0	0	0	113.3	K64 V68	K64-S66 PolarHBondContact O-N 3Å; S66-V68 VanDerWaalsContact C-N 3.3Å; S66-V68 PolarHBondContact O-N 3.44Å
67	T	94.9	Very high	95.8	Very high	109 Å²	109	58.7 Å²	58.7	67%	0.669	31%	0.307	S	S	*	.	S	Bend	trans	-68.3	-31.9	-179.6	62.3	0	0	0	0	112.7	D65	D65-T67 VanDerWaalsContact CG-OG1 3.27Å; D65-T67 VanDerWaalsContact OD1-CB 3.25Å; D65-T67 WeakPolarHBondContact OD1-CB 3.44Å; D65-T67 VanDerWaalsContact OD1-CG2 3.22Å; D65-T67 WeakPolarHBondContact OD1-CG2 3.31Å; D65-T67 PolarHBondContact OD1-N 3.02Å; D65-T67 PolarHBondContact OD1-OG1 2.72Å; D65-T67 PolarHBondContact OD2-OG1 3.45Å
68	V	95.2	Very high	95.8	Very high	47 Å²	47	58.5 Å²	58.5	29%	0.285	31%	0.306	S	S	.	.	S	Bend	trans	-104.2	123.7	177.1	176.3	0	0	0	0	108.8	L55 S66 H170	L55-V68 HydrophobicContact CB-CG1 3.32Å; L55-V68 HydrophobicContact CD1-CG1 4.17Å; L55-V68 HydrophobicContact CG-CG1 4.38Å; S66-V68 VanDerWaalsContact C-N 3.3Å; S66-V68 PolarHBondContact O-N 3.44Å; V68-H170 WeakPolarHBondContact O-CA 3.26Å; V68-H170 WeakPolarHBondContact O-CB 3.46Å
69	Y	98	Very high	96	Very high	101 Å²	101	57.7 Å²	57.7	40%	0.396	30%	0.302	S	S	.	.			trans	-147.9	162.4	-179.6	60.5	-89.8	0	0	0	111.4	E71 R168 I169	Y69-E71 HydrophobicContact CD2-CB 4.24Å; Y69-E71 HydrophobicContact CE2-CB 4.27Å; Y69-R168 HydrophobicContact CD2-CG 3.71Å; Y69-R168 HydrophobicContact CE2-CG 4.48Å; Y69-R168 HydrophobicContact CG-CG 4.05Å; Y69-I169 CarbonylContact C-O 3.6Å; Y69-I169 VanDerWaalsContact CA-O 3.23Å; Y69-I169 WeakPolarHBondContact CA-O 3.45Å; Y69-I169 WeakPolarHBondContact CB-O 3.18Å
70	V	98.6	Very high	96.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.4	163.3	59.7	0	0	0	0	108.1	E47 S52 V56 L78 F80 R168 I169	E47-V70 HydrophobicContact CB-CG2 3.73Å; S52-V70 WeakPolarHBondContact OG-CG2 3.39Å; V56-V70 HydrophobicContact CG1-CB 4.04Å; V56-V70 HydrophobicContact CG1-CG1 3.6Å; V70-L78 HydrophobicContact CG1-CD1 4.38Å; V70-L78 HydrophobicContact CG2-CD1 4.48Å; V70-L78 HydrophobicContact CG2-CD2 4.38Å; V70-F80 HydrophobicContact CG1-CE1 4.3Å; V70-F80 HydrophobicContact CG1-CZ 3.7Å; V70-R168 WeakPolarHBondContact O-CA 3.4Å; V70-I169 HydrophobicContact CG1-CB 3.91Å; V70-I169 PolarHBondContact N-O 2.95Å; V70-I169 PolarHBondContact O-N 3.42Å
71	E	98.5	Very high	96.4	Very high	39 Å²	39	55.5 Å²	55.5	18%	0.182	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.7	175.7	-177.4	164.1	-164.2	0	0	108.7	E47 S48 Y69 Q102 T166 T167 R168	E47-E71 WeakPolarHBondContact CA-O 3.46Å; S48-E71 PolarHBondContact N-O 3.16Å; Y69-E71 HydrophobicContact CD2-CB 4.24Å; Y69-E71 HydrophobicContact CE2-CB 4.27Å; E71-Q102 PolarHBondContact OE1-NE2 3.32Å; E71-T166 PolarHBondContact OE1-OG1 3.36Å; E71-T167 CarbonylContact C-O 3.52Å; E71-T167 VanDerWaalsContact CA-O 3.3Å; E71-T167 WeakPolarHBondContact CA-O 3.28Å; E71-R168 HydrophobicContact CB-CG 4.47Å; E71-R168 VanDerWaalsContact CD-NH2 3.27Å; E71-R168 IonicContact OE1-CZ 3.89Å; E71-R168 IonicContact OE1-NE 3.92Å; E71-R168 IonicContact OE1-NH2 3.14Å; E71-R168 PolarHBondContact OE1-NH2 2.91Å; E71-R168 VanDerWaalsContact OE1-NH2 3.14Å; E71-R168 IonicContact OE2-CZ 3.32Å; E71-R168 VanDerWaalsContact OE2-CZ 3.32Å; E71-R168 IonicContact OE2-NE 3.11Å; E71-R168 PolarHBondContact OE2-NE 3.37Å; E71-R168 VanDerWaalsContact OE2-NE 3.11Å; E71-R168 IonicContact OE2-NH2 2.71Å; E71-R168 PolarHBondContact OE2-NH2 3.12Å
72	S	98.4	Very high	96.7	Very high	2 Å²	2	50 Å²	50	1%	0.014	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-73.3	155.9	176.4	67.6	0	0	0	0	112.3	N46 D75 T166 T167	N46-S72 CarbonylContact O-C 3.54Å; N46-S72 WeakPolarHBondContact O-CA 3.4Å; S72-D75 WeakPolarHBondContact CB-O 3.24Å; S72-D75 PolarHBondContact OG-O 2.9Å; S72-T166 WeakPolarHBondContact O-CG2 3.07Å; S72-T166 WeakPolarHBondContact OG-CA 3.5Å; S72-T166 WeakPolarHBondContact OG-CB 3.31Å; S72-T167 PolarHBondContact N-O 3.45Å; S72-T167 PolarHBondContact OG-N 3.07Å
73	D	97	Very high	96.8	Very high	90 Å²	90	47.6 Å²	47.6	48%	0.481	25%	0.252	S	S	.	.	S	Bend	trans	-101.9	-65.8	-172.8	-161.7	44.1	0	0	0	113.5	N46 S48	N46-D73 PolarHBondContact O-N 3.22Å; S48-D73 WeakPolarHBondContact CB-OD1 3.43Å; S48-D73 PolarHBondContact OG-OD1 3.22Å
74	V	94.1	Very high	96.9	Very high	118 Å²	118	46.8 Å²	46.8	72%	0.715	25%	0.25	S	C	*	.	S	Bend	trans	-82.9	-36.5	-169.2	-179.4	0	0	0	0	112.2	N46	N46-V74 PolarHBondContact OD1-N 2.98Å
75	D	96.5	Very high	96.8	Very high	61 Å²	61	45.9 Å²	45.9	33%	0.326	25%	0.252	S	S	.	.	S	Bend	trans	-151.5	-172.1	-177.3	55.4	37.6	0	0	0	108.7	N46 S72 E77	N46-D75 PolarHBondContact ND2-OD1 3.04Å; S72-D75 WeakPolarHBondContact CB-O 3.24Å; S72-D75 PolarHBondContact OG-O 2.9Å; D75-E77 VanDerWaalsContact C-N 3.27Å; D75-E77 PolarHBondContact O-N 2.93Å; D75-E77 WeakPolarHBondContact OD1-CB 3.33Å; D75-E77 PolarHBondContact OD1-N 3.26Å
76	Q	97.2	Very high	96.6	Very high	71 Å²	71	43.5 Å²	43.5	33%	0.332	24%	0.241	S	C	.	.	S	Bend	trans	-73.7	-6.6	179	68.3	-144.3	39.5	0	0	115.1	N161 T167	Q76-N161 WeakPolarHBondContact CB-ND2 3.4Å; Q76-T167 WeakPolarHBondContact O-CB 3.5Å; Q76-T167 PolarHBondContact O-OG1 2.73Å
77	E	98	Very high	96.5	Very high	60 Å²	60	41 Å²	41	28%	0.28	22%	0.222	S	C	.	.			trans	-80.1	143.8	-172.2	-61.2	-163.9	76.3	0	0	112.1	N46 D75 F118 H157 F158	N46-E77 WeakPolarHBondContact CB-O 3.47Å; N46-E77 PolarHBondContact ND2-O 2.81Å; D75-E77 VanDerWaalsContact C-N 3.27Å; D75-E77 PolarHBondContact O-N 2.93Å; D75-E77 WeakPolarHBondContact OD1-CB 3.33Å; D75-E77 PolarHBondContact OD1-N 3.26Å; E77-F118 HydrophobicContact CB-CE1 3.98Å; E77-H157 IonicContact OE1-CD2 3.07Å; E77-H157 IonicContact OE1-CE1 2.75Å; E77-H157 PolarHBondContact OE1-CE1 2.9Å; E77-H157 VanDerWaalsContact OE1-CE1 3.26Å; E77-H157 IonicContact OE1-NE2 3.4Å; E77-H157 PolarHBondContact OE1-NE2 3.17Å; E77-F158 VanDerWaalsContact CA-O 3.26Å; E77-F158 WeakPolarHBondContact CA-O 3.29Å
78	L	98.6	Very high	96.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.6	169.3	-73.5	169.7	0	0	0	109.5	V70 F80 H157 F158 T167 I169	V70-L78 HydrophobicContact CG1-CD1 4.38Å; V70-L78 HydrophobicContact CG2-CD1 4.48Å; V70-L78 HydrophobicContact CG2-CD2 4.38Å; L78-F80 HydrophobicContact CB-CE2 3.89Å; L78-F80 HydrophobicContact CD1-CE2 4.31Å; L78-H157 CarbonylContact O-C 3.59Å; L78-H157 WeakPolarHBondContact O-CA 3.43Å; L78-F158 HydrophobicContact CB-CB 4.26Å; L78-F158 HydrophobicContact CB-CD2 4.17Å; L78-F158 PolarHBondContact N-O 3.41Å; L78-F158 PolarHBondContact O-N 2.66Å; L78-T167 HydrophobicContact CD1-CG2 4.16Å; L78-I169 HydrophobicContact CD1-CD1 4.17Å
79	L	98.6	Very high	96.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	116.4	175.3	179.8	60.8	0	0	0	110.6	C44 L45 M116 T117 F118 L121 L156 H157	C44-L79 CarbonylContact C-O 3.48Å; C44-L79 WeakPolarHBondContact CA-O 3.28Å; L45-L79 HydrophobicContact CB-CB 4.23Å; L45-L79 HydrophobicContact CD1-CD2 4.07Å; L45-L79 PolarHBondContact N-O 2.9Å; L45-L79 PolarHBondContact O-N 3.5Å; L79-M116 HydrophobicContact CD2-CB 4.19Å; L79-M116 VanDerWaalsContact CD2-O 3.31Å; L79-M116 WeakPolarHBondContact CD2-O 3.27Å; L79-T117 VanDerWaalsContact CD2-C 3.5Å; L79-F118 HydrophobicContact CB-CD1 4.48Å; L79-F118 HydrophobicContact CB-CE1 3.82Å; L79-F118 HydrophobicContact CB-CZ 3.89Å; L79-L121 HydrophobicContact CD1-CD2 4.42Å; L79-L156 CarbonylContact C-O 3.51Å; L79-L156 WeakPolarHBondContact CA-O 3.5Å; L79-H157 HydrophobicContact CD1-CB 3.91Å
80	F	98.6	Very high	96.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136	175.1	-64.2	-101.1	0	0	0	109.9	E43 C44 G53 V56 F57 V70 L78 I82 S155 L156 F158 I169 I172	E43-F80 CarbonylContact O-C 3.43Å; E43-F80 WeakPolarHBondContact O-CA 3.46Å; C44-F80 HydrophobicContact CB-CD1 4.03Å; C44-F80 HydrophobicContact CB-CE1 4.01Å; C44-F80 WeakPolarHBondContact SG-CE1 3.36Å; C44-F80 VanDerWaalsContact SG-CZ 3.51Å; G53-F80 WeakPolarHBondContact O-CE1 3.43Å; V56-F80 HydrophobicContact CG2-CE1 4.18Å; F57-F80 AromaticContact CE2-CD1 3.93Å; F57-F80 HydrophobicContact CE2-CD1 3.93Å; F57-F80 HydrophobicContact CE2-CE1 4.36Å; F57-F80 HydrophobicContact CZ-CD1 4.16Å; V70-F80 HydrophobicContact CG1-CE1 4.3Å; V70-F80 HydrophobicContact CG1-CZ 3.7Å; L78-F80 HydrophobicContact CB-CE2 3.89Å; L78-F80 HydrophobicContact CD1-CE2 4.31Å; F80-I82 HydrophobicContact CB-CD1 4.32Å; F80-I82 HydrophobicContact CB-CG1 4.09Å; F80-S155 CarbonylContact O-C 3.57Å; F80-S155 WeakPolarHBondContact O-CA 3.44Å; F80-S155 WeakPolarHBondContact O-CB 3.25Å; F80-L156 HydrophobicContact CB-CB 4.27Å; F80-L156 PolarHBondContact N-O 3.07Å; F80-L156 PolarHBondContact O-N 2.89Å; F80-F158 AromaticContact CD2-CD2 3.84Å; F80-F158 HydrophobicContact CD2-CD2 3.84Å; F80-F158 AromaticContact CD2-CE2 3.57Å; F80-F158 HydrophobicContact CD2-CE2 3.57Å; F80-F158 AromaticContact CE2-CD2 3.68Å; F80-F158 HydrophobicContact CE2-CD2 3.68Å; F80-F158 AromaticContact CE2-CE2 3.49Å; F80-F158 HydrophobicContact CE2-CE2 3.49Å; F80-F158 VanDerWaalsContact CE2-CE2 3.49Å; F80-I169 HydrophobicContact CE2-CD1 4.43Å; F80-I172 HydrophobicContact CD1-CD1 4.32Å; F80-I172 HydrophobicContact CD2-CD1 4.29Å; F80-I172 HydrophobicContact CE1-CD1 4.06Å; F80-I172 HydrophobicContact CE2-CD1 4.05Å; F80-I172 HydrophobicContact CG-CD1 4.43Å; F80-I172 HydrophobicContact CZ-CD1 3.92Å
81	N	98.3	Very high	96.2	Very high	10 Å²	10	35.7 Å²	35.7	5%	0.053	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	112.7	167.3	-69.6	-40.7	0	0	0	108.3	V42 E43 P83 M116 S155	V42-N81 WeakPolarHBondContact CA-O 3.41Å; E43-N81 HydrophobicContact CB-CB 4.35Å; E43-N81 PolarHBondContact N-O 2.87Å; E43-N81 VanDerWaalsContact N-O 3.12Å; E43-N81 PolarHBondContact O-N 3.39Å; N81-P83 VanDerWaalsContact O-CD 3.28Å; N81-P83 WeakPolarHBondContact O-CD 3.36Å; N81-M116 PolarHBondContact ND2-N 2.83Å; N81-M116 PolarHBondContact ND2-O 2.81Å; N81-M116 WeakPolarHBondContact OD1-CB 3.37Å; N81-M116 PolarHBondContact OD1-N 2.89Å; N81-S155 WeakPolarHBondContact OD1-CB 3.38Å; N81-S155 PolarHBondContact OD1-OG 2.91Å
82	I	98.1	Very high	96.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	97.4	-169.3	-48.9	164.6	0	0	0	108.9	I37 V42 F57 F80 F84 T153 L154 L156 L174	I37-I82 HydrophobicContact CD1-CG2 4.44Å; I37-I82 HydrophobicContact CG1-CG2 4.24Å; I37-I82 HydrophobicContact CG2-CG2 3.66Å; V42-I82 HydrophobicContact CG2-CG2 4.3Å; F57-I82 HydrophobicContact CE1-CD1 3.7Å; F57-I82 HydrophobicContact CE1-CG1 4.3Å; F57-I82 HydrophobicContact CE2-CG1 4.39Å; F57-I82 HydrophobicContact CZ-CD1 3.41Å; F57-I82 VanDerWaalsContact CZ-CD1 3.41Å; F57-I82 HydrophobicContact CZ-CG1 3.71Å; F80-I82 HydrophobicContact CB-CD1 4.32Å; F80-I82 HydrophobicContact CB-CG1 4.09Å; I82-F84 HydrophobicContact CB-CE2 4.47Å; I82-F84 HydrophobicContact CB-CZ 4.37Å; I82-F84 HydrophobicContact CG2-CE1 4.11Å; I82-F84 HydrophobicContact CG2-CE2 4.17Å; I82-F84 HydrophobicContact CG2-CZ 3.71Å; I82-F84 WeakPolarHBondContact O-CE2 3.44Å; I82-T153 CarbonylContact O-C 3.49Å; I82-T153 WeakPolarHBondContact O-CA 3.33Å; I82-L154 WeakPolarHBondContact CA-O 3.4Å; I82-L154 VanDerWaalsContact CB-O 3.24Å; I82-L154 WeakPolarHBondContact CB-O 3.4Å; I82-L154 PolarHBondContact N-O 2.93Å; I82-L154 PolarHBondContact O-N 2.96Å; I82-L156 HydrophobicContact CD1-CD1 3.64Å; I82-L156 HydrophobicContact CD1-CG 3.83Å; I82-L174 HydrophobicContact CD1-CD1 4.33Å; I82-L174 HydrophobicContact CG2-CD1 4.46Å
83	P	96.9	Very high	96.1	Very high	26 Å²	26	34.5 Å²	34.5	17%	0.169	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	146.1	171	27.9	-29.5	0	0	0	111.7	D38 N41 N81 T153	D38-P83 HydrophobicContact CB-CB 4.37Å; D38-P83 HydrophobicContact CB-CG 4.14Å; D38-P83 PolarHBondContact N-O 3.19Å; N41-P83 HydrophobicContact CB-CG 3.69Å; N41-P83 WeakPolarHBondContact O-CD 3.36Å; N41-P83 VanDerWaalsContact O-CG 3.29Å; N41-P83 WeakPolarHBondContact O-CG 3.4Å; N81-P83 VanDerWaalsContact O-CD 3.28Å; N81-P83 WeakPolarHBondContact O-CD 3.36Å; P83-T153 HydrophobicContact CB-CG2 4.38Å
84	F	95.7	Very high	96.1	Very high	18 Å²	18	30.2 Å²	30.2	8%	0.079	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	150.8	173.6	-58.9	-84.5	0	0	0	111.3	F36 I37 I82 G86 I88 V151 Q152 L154 L174	F36-F84 WeakPolarHBondContact O-CA 3.41Å; I37-F84 HydrophobicContact CD1-CE1 4.47Å; I37-F84 HydrophobicContact CG1-CD1 3.94Å; I37-F84 HydrophobicContact CG1-CE1 3.55Å; I82-F84 HydrophobicContact CB-CE2 4.47Å; I82-F84 HydrophobicContact CB-CZ 4.37Å; I82-F84 HydrophobicContact CG2-CE1 4.11Å; I82-F84 HydrophobicContact CG2-CE2 4.17Å; I82-F84 HydrophobicContact CG2-CZ 3.71Å; I82-F84 WeakPolarHBondContact O-CE2 3.44Å; F84-G86 PolarHBondContact O-N 2.97Å; F84-I88 HydrophobicContact CB-CG2 4.17Å; F84-I88 HydrophobicContact CD1-CD1 3.56Å; F84-I88 HydrophobicContact CD1-CG2 4.08Å; F84-I88 HydrophobicContact CD2-CD1 3.43Å; F84-I88 VanDerWaalsContact CD2-CD1 3.43Å; F84-I88 HydrophobicContact CD2-CG1 4.19Å; F84-I88 HydrophobicContact CE1-CD1 3.36Å; F84-I88 HydrophobicContact CE2-CD1 3.28Å; F84-I88 HydrophobicContact CE2-CG1 4.4Å; F84-I88 HydrophobicContact CG-CD1 3.58Å; F84-I88 HydrophobicContact CG-CG1 4.28Å; F84-I88 HydrophobicContact CG-CG2 4.11Å; F84-I88 HydrophobicContact CZ-CD1 3.25Å; F84-V151 HydrophobicContact CD2-CG1 4.39Å; F84-V151 HydrophobicContact CE2-CG1 4.17Å; F84-Q152 WeakPolarHBondContact CD2-O 3.04Å; F84-Q152 PolarHBondContact N-O 2.83Å; F84-L154 HydrophobicContact CE2-CB 3.63Å; F84-L154 HydrophobicContact CZ-CB 4.13Å; F84-L174 HydrophobicContact CE1-CD1 3.82Å; F84-L174 HydrophobicContact CZ-CD1 3.52Å
85	T	92.8	Very high	96.3	Very high	79 Å²	79	24.6 Å²	24.6	49%	0.485	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-5.4	179.9	54.4	0	0	0	0	114.2	F36 D38	F36-T85 PolarHBondContact O-N 2.96Å; F36-T85 PolarHBondContact O-OG1 3.2Å; D38-T85 HydrophobicContact CB-CG2 4.19Å
86	G	90.4	Very high	96.3	Very high	6 Å²	6	21.7 Å²	21.7	6%	0.062	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	-165.1	179.2	0	0	0	0	0	111.6	F84 I88	F84-G86 PolarHBondContact O-N 2.97Å; G86-I88 PolarHBondContact O-N 2.94Å
87	N	92.4	Very high	96.3	Very high	23 Å²	23	18.3 Å²	18.3	12%	0.123	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.7	179.6	-68.6	-33.9	0	0	0	109.5	Q152 T179	N87-Q152 VanDerWaalsContact OD1-CG 3.29Å; N87-Q152 WeakPolarHBondContact OD1-CG 3.39Å; N87-Q152 PolarHBondContact OD1-NE2 2.83Å; N87-T179 PolarHBondContact N-O 2.77Å; N87-T179 PolarHBondContact O-N 2.93Å
88	I	93.9	Very high	96.2	Very high	2 Å²	2	16 Å²	16	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	157.8	174.1	71.3	177.7	0	0	0	110.9	L33 F84 G86 V90 N150 V151 D177 Y178	L33-I88 HydrophobicContact CD1-CB 4.43Å; L33-I88 HydrophobicContact CD1-CD1 4.11Å; L33-I88 HydrophobicContact CD2-CB 4.4Å; L33-I88 HydrophobicContact CD2-CG2 4.26Å; F84-I88 HydrophobicContact CB-CG2 4.17Å; F84-I88 HydrophobicContact CD1-CD1 3.56Å; F84-I88 HydrophobicContact CD1-CG2 4.08Å; F84-I88 HydrophobicContact CD2-CD1 3.43Å; F84-I88 VanDerWaalsContact CD2-CD1 3.43Å; F84-I88 HydrophobicContact CD2-CG1 4.19Å; F84-I88 HydrophobicContact CE1-CD1 3.36Å; F84-I88 HydrophobicContact CE2-CD1 3.28Å; F84-I88 HydrophobicContact CE2-CG1 4.4Å; F84-I88 HydrophobicContact CG-CD1 3.58Å; F84-I88 HydrophobicContact CG-CG1 4.28Å; F84-I88 HydrophobicContact CG-CG2 4.11Å; F84-I88 HydrophobicContact CZ-CD1 3.25Å; G86-I88 PolarHBondContact O-N 2.94Å; I88-V90 HydrophobicContact CD1-CG2 3.46Å; I88-V90 VanDerWaalsContact CD1-CG2 3.46Å; I88-V90 HydrophobicContact CG1-CG2 3.92Å; I88-N150 PolarHBondContact O-N 3.07Å; I88-N150 VanDerWaalsContact O-N 3.11Å; I88-V151 HydrophobicContact CD1-CB 4.13Å; I88-V151 HydrophobicContact CD1-CG1 4.19Å; I88-V151 HydrophobicContact CG1-CB 3.61Å; I88-V151 HydrophobicContact CG1-CG1 4.18Å; I88-V151 WeakPolarHBondContact CG1-O 3.44Å; I88-V151 PolarHBondContact N-O 2.83Å; I88-V151 PolarHBondContact O-N 3.07Å; I88-D177 CarbonylContact C-O 3.59Å; I88-D177 WeakPolarHBondContact CA-O 3.43Å; I88-Y178 HydrophobicContact CG2-CD2 4.11Å
89	K	95.3	Very high	96.1	Very high	76 Å²	76	21.8 Å²	21.8	33%	0.33	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	108.6	163.7	178.8	-155.8	-60.7	165.2	0	107	M91 I145 F148 G176 D177	K89-M91 HydrophobicContact CD-CG 4.48Å; K89-I145 HydrophobicContact CD-CG2 3.6Å; K89-I145 HydrophobicContact CG-CG2 3.72Å; K89-F148 CarbonylContact C-O 3.6Å; K89-F148 WeakPolarHBondContact CA-O 3.43Å; K89-G176 CarbonylContact O-C 3.56Å; K89-G176 VanDerWaalsContact O-CA 3.25Å; K89-G176 WeakPolarHBondContact O-CA 3.46Å; K89-D177 HydrophobicContact CB-CB 4.27Å; K89-D177 PolarHBondContact N-O 2.79Å; K89-D177 IonicContact NZ-OD2 3.9Å; K89-D177 PolarHBondContact NZ-OD2 2.84Å; K89-D177 PolarHBondContact O-N 3.08Å
90	V	96.1	Very high	95.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	127	179.5	-161.7	0	0	0	0	109.1	L33 I88 L143 F148 V151 L174	L33-V90 HydrophobicContact CD1-CG1 4.47Å; L33-V90 HydrophobicContact CD1-CG2 4.39Å; I88-V90 HydrophobicContact CD1-CG2 3.46Å; I88-V90 VanDerWaalsContact CD1-CG2 3.46Å; I88-V90 HydrophobicContact CG1-CG2 3.92Å; V90-L143 HydrophobicContact CB-CD1 4.16Å; V90-L143 HydrophobicContact CG1-CD1 3.63Å; V90-F148 HydrophobicContact CB-CB 3.96Å; V90-F148 HydrophobicContact CG2-CB 4.48Å; V90-F148 PolarHBondContact N-O 3.17Å; V90-F148 WeakPolarHBondContact O-CB 3.41Å; V90-V151 HydrophobicContact CG2-CB 4.47Å; V90-V151 HydrophobicContact CG2-CG2 4.2Å; V90-L174 HydrophobicContact CG1-CD2 4.47Å
91	M	95.6	Very high	95.9	Very high	68 Å²	68	31.3 Å²	31.3	34%	0.335	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-38.1	-178.5	-65.3	178.5	62.4	0	0	112	K89 L143 I145 R175	K89-M91 HydrophobicContact CD-CG 4.48Å; M91-L143 PolarHBondContact O-N 3.03Å; M91-I145 HydrophobicContact CB-CG1 4.47Å; M91-I145 HydrophobicContact CE-CD1 4.01Å; M91-I145 HydrophobicContact CG-CD1 4.02Å; M91-I145 HydrophobicContact CG-CG1 4.13Å; M91-R175 PolarHBondContact N-O 3.43Å
92	S	96.3	Very high	95.8	Very high	15 Å²	15	32.6 Å²	32.6	11%	0.105	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	163.3	177.3	58.2	0	0	0	0	111.9	I140 Y141 R175	S92-I140 VanDerWaalsContact CB-CG2 3.48Å; S92-I140 WeakPolarHBondContact OG-CG2 3.44Å; S92-Y141 WeakPolarHBondContact CA-O 3.26Å; S92-Y141 VanDerWaalsContact CB-O 3.23Å; S92-Y141 WeakPolarHBondContact CB-O 3.48Å; S92-R175 PolarHBondContact N-O 3.46Å; S92-R175 PolarHBondContact O-N 3.45Å; S92-R175 WeakPolarHBondContact OG-CB 3.43Å
93	I	97.2	Very high	95.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.8	176.3	-172.6	166.6	0	0	0	109.7	I95 L129 Y141 L143 L156 I172 G173 L174	I93-I95 HydrophobicContact CD1-CD1 4.03Å; I93-I95 HydrophobicContact CD1-CG1 4.17Å; I93-I95 HydrophobicContact CG1-CD1 4.22Å; I93-I95 HydrophobicContact CG1-CG1 4.08Å; I93-L129 HydrophobicContact CG2-CD1 3.66Å; I93-Y141 PolarHBondContact N-O 3.3Å; I93-Y141 PolarHBondContact O-N 2.79Å; I93-L143 HydrophobicContact CG2-CD2 4.23Å; I93-L143 HydrophobicContact CG2-CG 4.5Å; I93-L156 HydrophobicContact CD1-CD1 3.72Å; I93-L156 HydrophobicContact CD1-CD2 4.05Å; I93-I172 HydrophobicContact CD1-CG2 4.15Å; I93-I172 HydrophobicContact CG1-CG2 4.44Å; I93-G173 CarbonylContact C-O 3.55Å; I93-G173 WeakPolarHBondContact CA-O 3.29Å; I93-L174 HydrophobicContact CB-CD2 4.26Å; I93-L174 HydrophobicContact CD1-CD2 3.69Å; I93-L174 HydrophobicContact CG1-CD2 3.81Å
94	I	97.2	Very high	95.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.5	172.2	-60.6	167.3	0	0	0	106.1	Y60 G137 I140 Y171 I172 G173	Y60-I94 HydrophobicContact CD2-CD1 4.22Å; Y60-I94 HydrophobicContact CE2-CD1 3.78Å; I94-G137 WeakPolarHBondContact CG2-O 3.44Å; I94-I140 HydrophobicContact CD1-CG1 4.07Å; I94-I140 HydrophobicContact CG1-CB 4.49Å; I94-I140 HydrophobicContact CG1-CG1 3.94Å; I94-Y171 HydrophobicContact CB-CE1 4.14Å; I94-Y171 HydrophobicContact CG2-CD1 4.13Å; I94-Y171 HydrophobicContact CG2-CE1 3.94Å; I94-I172 WeakPolarHBondContact O-CA 3.17Å; I94-G173 PolarHBondContact N-O 2.71Å; I94-G173 PolarHBondContact O-N 2.87Å
95	I	97.7	Very high	96	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.8	177.9	-68.7	152.9	0	0	0	106.9	I93 P104 V107 L131 F158	I93-I95 HydrophobicContact CD1-CD1 4.03Å; I93-I95 HydrophobicContact CD1-CG1 4.17Å; I93-I95 HydrophobicContact CG1-CD1 4.22Å; I93-I95 HydrophobicContact CG1-CG1 4.08Å; I95-P104 HydrophobicContact CG2-CG 3.85Å; I95-V107 HydrophobicContact CD1-CB 4.45Å; I95-V107 HydrophobicContact CD1-CG1 3.78Å; I95-L131 HydrophobicContact CB-CD1 4.44Å; I95-L131 HydrophobicContact CD1-CD1 3.79Å; I95-L131 HydrophobicContact CD1-CD2 3.73Å; I95-L131 HydrophobicContact CD1-CG 4.43Å; I95-L131 HydrophobicContact CG2-CD1 4.1Å; I95-F158 HydrophobicContact CD1-CE1 3.88Å; I95-F158 HydrophobicContact CD1-CZ 4.17Å; I95-F158 HydrophobicContact CG1-CE1 4.3Å; I95-F158 HydrophobicContact CG1-CZ 4.31Å; I95-F158 HydrophobicContact CG2-CE1 4.05Å; I95-F158 HydrophobicContact CG2-CZ 4.47Å
96	S	97.4	Very high	96.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.5	173.7	-157.3	0	0	0	0	110	D134 P135 N136 G137 I169 H170 Y171	S96-D134 VanDerWaalsContact CA-O 3.31Å; S96-D134 WeakPolarHBondContact CA-O 3.22Å; S96-D134 WeakPolarHBondContact CB-O 3.36Å; S96-D134 PolarHBondContact OG-O 2.85Å; S96-P135 WeakPolarHBondContact OG-CA 3.44Å; S96-P135 PolarHBondContact OG-O 3.05Å; S96-N136 PolarHBondContact OG-N 3.37Å; S96-G137 PolarHBondContact OG-N 3.15Å; S96-G137 VanDerWaalsContact OG-N 3.12Å; S96-I169 WeakPolarHBondContact O-CG2 3.4Å; S96-H170 WeakPolarHBondContact CB-NE2 3.21Å; S96-H170 PolarHBondContact O-N 2.77Å; S96-H170 PolarHBondContact OG-CE1 3.36Å; S96-H170 PolarHBondContact OG-NE2 3.13Å; S96-Y171 PolarHBondContact N-O 2.81Å; S96-Y171 PolarHBondContact O-N 3.2Å; S96-Y171 VanDerWaalsContact O-N 3.15Å
97	G	96.8	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	-168.3	177.8	0	0	0	0	0	112.9	H103 P135 R168 H170	G97-H103 VanDerWaalsContact CA-CD2 3.5Å; G97-H103 WeakPolarHBondContact CA-CD2 3.34Å; G97-H103 PolarHBondContact N-CD2 2.67Å; G97-H103 PolarHBondContact N-NE2 3.26Å; G97-H103 VanDerWaalsContact N-NE2 3.19Å; G97-P135 WeakPolarHBondContact O-CA 3.23Å; G97-R168 CarbonylContact C-O 3.6Å; G97-R168 WeakPolarHBondContact CA-O 3.4Å; G97-H170 PolarHBondContact O-CE1 2.8Å; G97-H170 PolarHBondContact O-ND1 3.19Å
98	A	96.5	Very high	97	Very high	13 Å²	13	30.5 Å²	30.5	11%	0.107	16%	0.16	C	C	.	.			trans	-56.4	149.7	-177.2	0	0	0	0	0	113.5	T100 Q102 H103 R168	A98-T100 PolarHBondContact O-N 2.82Å; A98-Q102 HydrophobicContact CB-CB 3.97Å; A98-H103 VanDerWaalsContact O-CB 3.29Å; A98-H103 WeakPolarHBondContact O-CB 3.38Å; A98-H103 PolarHBondContact O-CD2 2.78Å; A98-H103 VanDerWaalsContact O-CD2 3.25Å; A98-R168 HydrophobicContact CB-CB 4.14Å; A98-R168 PolarHBondContact N-O 3.25Å; A98-R168 VanDerWaalsContact N-O 3.07Å
99	D	95.8	Very high	97.2	Very high	121 Å²	121	30.4 Å²	30.4	65%	0.647	16%	0.159	S	C	*	.	S	Bend	trans	-79.7	33.8	173.4	-165	26.8	0	0	0	112.4	P135	D99-P135 HydrophobicContact CB-CB 3.92Å; D99-P135 HydrophobicContact CB-CG 4Å
100	T	95.9	Very high	97.3	Very high	75 Å²	75	27.3 Å²	27.3	46%	0.46	15%	0.145	S	C	.	.	S	Bend	trans	-143.1	-174.6	-173.7	67.1	0	0	0	0	110.4	A98 Q102 H103	A98-T100 PolarHBondContact O-N 2.82Å; T100-Q102 PolarHBondContact O-N 2.87Å; T100-Q102 PolarHBondContact OG1-N 2.87Å; T100-H103 WeakPolarHBondContact O-CB 3.21Å; T100-H103 PolarHBondContact O-N 3.01Å
101	E	96.8	Very high	97.3	Very high	124 Å²	124	29.2 Å²	29.2	58%	0.579	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.6	176.2	-60.8	178.9	174.1	0	0	113.7	H103 Y162 G163 G164	E101-H103 PolarHBondContact O-N 2.9Å; E101-Y162 CarbonylContact O-C 3.52Å; E101-Y162 WeakPolarHBondContact O-CA 3.14Å; E101-Y162 PolarHBondContact O-N 3.46Å; E101-G163 PolarHBondContact O-N 3.37Å; E101-G164 PolarHBondContact O-N 3.06Å; E101-G164 VanDerWaalsContact O-N 3.08Å
102	Q	98	Very high	97.3	Very high	38 Å²	38	29.1 Å²	29.1	18%	0.178	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-6.1	172.6	-62.3	-174.3	-49.7	0	0	113.5	E71 A98 T100 T166 T167 R168	E71-Q102 PolarHBondContact OE1-NE2 3.32Å; A98-Q102 HydrophobicContact CB-CB 3.97Å; T100-Q102 PolarHBondContact O-N 2.87Å; T100-Q102 PolarHBondContact OG1-N 2.87Å; Q102-T166 WeakPolarHBondContact CA-O 3.36Å; Q102-T166 WeakPolarHBondContact CB-O 3.45Å; Q102-T166 WeakPolarHBondContact CG-O 3.38Å; Q102-T166 PolarHBondContact NE2-OG1 3.45Å; Q102-T167 CarbonylContact O-C 3.59Å; Q102-T167 WeakPolarHBondContact O-CA 3.3Å; Q102-R168 HydrophobicContact CB-CB 4.25Å; Q102-R168 PolarHBondContact O-N 2.72Å
103	H	98.5	Very high	97.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-66.1	135.4	175.5	-164.2	-77.2	0	0	0	110.4	G97 A98 T100 E101 S105 T132 I133 D134 N161 Y162	G97-H103 VanDerWaalsContact CA-CD2 3.5Å; G97-H103 WeakPolarHBondContact CA-CD2 3.34Å; G97-H103 PolarHBondContact N-CD2 2.67Å; G97-H103 PolarHBondContact N-NE2 3.26Å; G97-H103 VanDerWaalsContact N-NE2 3.19Å; A98-H103 VanDerWaalsContact O-CB 3.29Å; A98-H103 WeakPolarHBondContact O-CB 3.38Å; A98-H103 PolarHBondContact O-CD2 2.78Å; A98-H103 VanDerWaalsContact O-CD2 3.25Å; T100-H103 WeakPolarHBondContact O-CB 3.21Å; T100-H103 PolarHBondContact O-N 3.01Å; E101-H103 PolarHBondContact O-N 2.9Å; H103-S105 PolarHBondContact O-N 2.83Å; H103-T132 PolarHBondContact CE1-O 2.87Å; H103-I133 HydrophobicContact CB-CG1 4.1Å; H103-I133 HydrophobicContact CB-CG2 4.42Å; H103-D134 PolarHBondContact NE2-N 3.35Å; H103-N161 CarbonylContact O-C 3.59Å; H103-N161 WeakPolarHBondContact O-CA 3.34Å; H103-N161 WeakPolarHBondContact O-CB 3.32Å; H103-Y162 HydrophobicContact CB-CD2 4.07Å; H103-Y162 WeakPolarHBondContact O-CD2 3.13Å; H103-Y162 PolarHBondContact O-N 3.19Å
104	P	98.4	Very high	96.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	137.9	174.3	27.8	-36.5	0	0	0	111.1	I95 L131 F158 T167 I169	I95-P104 HydrophobicContact CG2-CG 3.85Å; P104-L131 HydrophobicContact CB-CD1 3.97Å; P104-L131 HydrophobicContact CG-CD1 4.04Å; P104-L131 WeakPolarHBondContact O-CB 3.34Å; P104-F158 HydrophobicContact CB-CD1 3.55Å; P104-F158 HydrophobicContact CB-CE1 4.1Å; P104-F158 HydrophobicContact CB-CG 4.43Å; P104-F158 HydrophobicContact CG-CD1 4.12Å; P104-F158 HydrophobicContact CG-CE1 4.19Å; P104-T167 HydrophobicContact CB-CG2 3.91Å; P104-T167 HydrophobicContact CG-CG2 4.39Å; P104-I169 HydrophobicContact CB-CD1 4.5Å; P104-I169 HydrophobicContact CG-CD1 4.05Å; P104-I169 HydrophobicContact CG-CG1 3.92Å
105	S	98.1	Very high	96.6	Very high	25 Å²	25	42.4 Å²	42.4	18%	0.175	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-21.8	179.1	62.8	0	0	0	0	112.1	H103 L131 A160 N161	H103-S105 PolarHBondContact O-N 2.83Å; S105-L131 PolarHBondContact O-N 2.94Å; S105-A160 PolarHBondContact N-O 3.08Å; S105-A160 WeakPolarHBondContact OG-CB 3.4Å; S105-A160 PolarHBondContact OG-O 3.43Å; S105-N161 WeakPolarHBondContact CB-O 3.36Å; S105-N161 VanDerWaalsContact OG-C 3.23Å; S105-N161 WeakPolarHBondContact OG-CA 3.34Å; S105-N161 PolarHBondContact OG-N 2.77Å; S105-N161 PolarHBondContact OG-O 3.42Å
106	Q	98.3	Very high	96.5	Very high	71 Å²	71	42.7 Å²	42.7	33%	0.332	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	138.4	179	-170.2	176.2	40.3	0	0	111.4	L129 F158 S159 A160	Q106-L129 WeakPolarHBondContact CA-O 3.23Å; Q106-F158 WeakPolarHBondContact O-CA 3.5Å; Q106-S159 PolarHBondContact O-N 3.24Å; Q106-S159 PolarHBondContact OE1-OG 3.23Å; Q106-A160 HydrophobicContact CB-CB 4.32Å; Q106-A160 PolarHBondContact N-O 3.27Å
107	V	98.5	Very high	96.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.4	171.1	63.5	0	0	0	0	111.2	I95 L109 S128 L129 L131 L156 H157 F158	I95-V107 HydrophobicContact CD1-CB 4.45Å; I95-V107 HydrophobicContact CD1-CG1 3.78Å; V107-L109 HydrophobicContact CG1-CD1 4.3Å; V107-S128 CarbonylContact O-C 3.56Å; V107-S128 WeakPolarHBondContact O-CA 3.31Å; V107-S128 PolarHBondContact O-OG 2.97Å; V107-L129 HydrophobicContact CG1-CB 3.79Å; V107-L129 HydrophobicContact CG1-CD1 3.99Å; V107-L129 HydrophobicContact CG1-CG 4.29Å; V107-L129 PolarHBondContact N-O 3.47Å; V107-L129 PolarHBondContact O-N 2.91Å; V107-L131 HydrophobicContact CB-CD1 4.2Å; V107-L131 HydrophobicContact CG1-CD1 3.94Å; V107-L131 HydrophobicContact CG1-CD2 3.91Å; V107-L131 HydrophobicContact CG1-CG 4.1Å; V107-L156 HydrophobicContact CG2-CB 4.21Å; V107-H157 CarbonylContact C-O 3.58Å; V107-H157 VanDerWaalsContact CA-O 3.26Å; V107-H157 WeakPolarHBondContact CA-O 3.08Å; V107-F158 HydrophobicContact CB-CD1 3.77Å; V107-F158 HydrophobicContact CB-CE1 3.78Å; V107-F158 HydrophobicContact CB-CZ 4.49Å; V107-F158 HydrophobicContact CG2-CD1 3.89Å; V107-F158 HydrophobicContact CG2-CD2 4.48Å; V107-F158 HydrophobicContact CG2-CE1 3.72Å; V107-F158 HydrophobicContact CG2-CE2 4.31Å; V107-F158 HydrophobicContact CG2-CG 4.29Å; V107-F158 HydrophobicContact CG2-CZ 3.95Å
108	S	98.3	Very high	96.5	Very high	13 Å²	13	48.8 Å²	48.8	9%	0.091	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.3	174.8	-64.1	0	0	0	0	110.1	S128 H157	S108-S128 PolarHBondContact OG-OG 3.19Å; S108-H157 PolarHBondContact N-O 3.15Å; S108-H157 PolarHBondContact O-N 2.92Å
109	L	98.5	Very high	96.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.4	-174.2	-65.6	89.6	0	0	0	110.6	V107 E126 Q127 L129 L143 F148 L154 S155 L156	V107-L109 HydrophobicContact CG1-CD1 4.3Å; L109-E126 WeakPolarHBondContact O-CB 3.45Å; L109-E126 PolarHBondContact O-N 3.1Å; L109-Q127 VanDerWaalsContact CD1-O 3.27Å; L109-Q127 WeakPolarHBondContact CD1-O 3.33Å; L109-Q127 PolarHBondContact N-O 2.75Å; L109-L129 HydrophobicContact CD1-CD1 3.79Å; L109-L129 HydrophobicContact CD1-CG 3.94Å; L109-L143 HydrophobicContact CD1-CD2 4.4Å; L109-L143 HydrophobicContact CD2-CD1 3.72Å; L109-L143 HydrophobicContact CD2-CD2 3.85Å; L109-L143 HydrophobicContact CD2-CG 4.47Å; L109-F148 HydrophobicContact CB-CE1 3.79Å; L109-F148 HydrophobicContact CB-CZ 3.67Å; L109-F148 HydrophobicContact CD2-CE1 4.11Å; L109-F148 HydrophobicContact CD2-CZ 4.08Å; L109-F148 HydrophobicContact CG-CZ 4.44Å; L109-L154 HydrophobicContact CD2-CD1 4.42Å; L109-S155 WeakPolarHBondContact CA-O 3.33Å; L109-L156 HydrophobicContact CB-CD2 4.4Å; L109-L156 HydrophobicContact CD2-CD2 3.72Å; L109-L156 HydrophobicContact CG-CD2 3.63Å
110	Y	97.7	Very high	96.4	Very high	10 Å²	10	53.6 Å²	53.6	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.9	175.9	-55.4	-92.9	0	0	0	110	M116 L121 C125 L154 S155 H157	Y110-M116 HydrophobicContact CD1-CE 3.84Å; Y110-M116 HydrophobicContact CD2-CE 3.71Å; Y110-M116 HydrophobicContact CE1-CE 4.12Å; Y110-M116 HydrophobicContact CE2-CE 4.01Å; Y110-M116 HydrophobicContact CG-CE 3.61Å; Y110-L121 HydrophobicContact CE2-CD2 3.73Å; Y110-C125 HydrophobicContact CD1-CB 3.99Å; Y110-C125 VanDerWaalsContact CE1-CA 3.48Å; Y110-C125 HydrophobicContact CE1-CB 3.48Å; Y110-C125 VanDerWaalsContact CE1-CB 3.48Å; Y110-C125 HydrophobicContact CE2-CB 4.24Å; Y110-L154 WeakPolarHBondContact O-CA 3.18Å; Y110-L154 WeakPolarHBondContact O-CD1 3.46Å; Y110-S155 PolarHBondContact N-O 2.84Å; Y110-S155 PolarHBondContact O-N 3.36Å; Y110-H157 HydrophobicContact CE2-CB 3.97Å
111	K	95.5	Very high	96.3	Very high	40 Å²	40	51.5 Å²	51.5	17%	0.174	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.3	-175.6	170.9	-176.6	173.3	-162.8	0	111.1	K113 E126 R147 S149 V151	K111-K113 PolarHBondContact O-N 2.91Å; K111-E126 HydrophobicContact CB-CG 3.87Å; K111-R147 WeakPolarHBondContact CD-O 3.44Å; K111-R147 PolarHBondContact NZ-O 2.89Å; K111-S149 WeakPolarHBondContact CE-O 3.4Å; K111-S149 PolarHBondContact NZ-O 2.82Å; K111-V151 HydrophobicContact CD-CG2 3.85Å; K111-V151 HydrophobicContact CG-CB 4.47Å; K111-V151 HydrophobicContact CG-CG1 4.32Å; K111-V151 HydrophobicContact CG-CG2 3.95Å
112	N	95.4	Very high	96	Very high	66 Å²	66	53 Å²	53	35%	0.353	27%	0.268	S	S	.	.	S	Bend	trans	55.1	33.2	171.1	-62.4	-15.4	0	0	0	113.5	P114 N150 V151 Q152 T153	N112-P114 WeakPolarHBondContact O-CD 3.47Å; N112-N150 PolarHBondContact ND2-O 2.9Å; N112-V151 WeakPolarHBondContact OD1-CA 3.49Å; N112-Q152 PolarHBondContact OD1-N 2.75Å; N112-T153 VanDerWaalsContact CA-OG1 3.28Å; N112-T153 WeakPolarHBondContact CA-OG1 3.3Å; N112-T153 PolarHBondContact N-O 2.56Å; N112-T153 PolarHBondContact OD1-N 3.44Å
113	K	93.9	Very high	95.7	Very high	65 Å²	65	53.3 Å²	53.3	28%	0.283	28%	0.276	S	S	.	.			trans	-113	89.1	171.4	-62.9	-172.9	-174.5	175.7	0	107.9	K111 M116 T153 S155	K111-K113 PolarHBondContact O-N 2.91Å; K113-M116 HydrophobicContact CB-CG 3.47Å; K113-M116 VanDerWaalsContact CB-CG 3.47Å; K113-M116 HydrophobicContact CB-SD 3.61Å; K113-M116 HydrophobicContact CD-CE 4.34Å; K113-M116 HydrophobicContact CD-CG 4.4Å; K113-M116 HydrophobicContact CD-SD 3.4Å; K113-M116 WeakPolarHBondContact CD-SD 3.13Å; K113-M116 HydrophobicContact CG-SD 4.16Å; K113-M116 WeakPolarHBondContact O-CG 3.32Å; K113-T153 PolarHBondContact N-OG1 2.84Å; K113-S155 PolarHBondContact O-OG 3Å
114	P	89.5	Confident	95.4	Very high	77 Å²	77	61 Å²	61	50%	0.5	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	148.7	179.3	30.7	-35.4	0	0	0	110.3	N112 M116 T153	N112-P114 WeakPolarHBondContact O-CD 3.47Å; P114-M116 VanDerWaalsContact C-N 3.28Å; P114-M116 PolarHBondContact O-N 3.38Å; P114-T153 HydrophobicContact CB-CG2 4.27Å
115	F	93.4	Very high	95.3	Very high	153 Å²	153	62.5 Å²	62.5	67%	0.671	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	36.7	175	-45	-70.8	0	0	0	114.5	E43	E43-F115 WeakPolarHBondContact OE2-CD1 3.45Å
116	M	95.4	Very high	95.2	Very high	6 Å²	6	64.4 Å²	64.4	3%	0.03	33%	0.329	C	S	.	.			trans	-58.9	140.5	175.1	-75.5	-98.3	-63.6	0	0	110.8	L79 N81 Y110 K113 P114 D120 L121	L79-M116 HydrophobicContact CD2-CB 4.19Å; L79-M116 VanDerWaalsContact CD2-O 3.31Å; L79-M116 WeakPolarHBondContact CD2-O 3.27Å; N81-M116 PolarHBondContact ND2-N 2.83Å; N81-M116 PolarHBondContact ND2-O 2.81Å; N81-M116 WeakPolarHBondContact OD1-CB 3.37Å; N81-M116 PolarHBondContact OD1-N 2.89Å; Y110-M116 HydrophobicContact CD1-CE 3.84Å; Y110-M116 HydrophobicContact CD2-CE 3.71Å; Y110-M116 HydrophobicContact CE1-CE 4.12Å; Y110-M116 HydrophobicContact CE2-CE 4.01Å; Y110-M116 HydrophobicContact CG-CE 3.61Å; K113-M116 HydrophobicContact CB-CG 3.47Å; K113-M116 VanDerWaalsContact CB-CG 3.47Å; K113-M116 HydrophobicContact CB-SD 3.61Å; K113-M116 HydrophobicContact CD-CE 4.34Å; K113-M116 HydrophobicContact CD-CG 4.4Å; K113-M116 HydrophobicContact CD-SD 3.4Å; K113-M116 WeakPolarHBondContact CD-SD 3.13Å; K113-M116 HydrophobicContact CG-SD 4.16Å; K113-M116 WeakPolarHBondContact O-CG 3.32Å; P114-M116 VanDerWaalsContact C-N 3.28Å; P114-M116 PolarHBondContact O-N 3.38Å; M116-D120 HydrophobicContact CE-CB 4.11Å; M116-D120 HydrophobicContact SD-CB 3.55Å; M116-D120 VanDerWaalsContact SD-CB 3.55Å; M116-L121 HydrophobicContact CE-CD2 4.04Å
117	T	97.3	Very high	95.2	Very high	55 Å²	55	62.2 Å²	62.2	34%	0.337	32%	0.319	S	S	.	.			trans	-115.6	173.3	172.8	68.5	0	0	0	0	110.4	L79 E119 D120	L79-T117 VanDerWaalsContact CD2-C 3.5Å; T117-E119 PolarHBondContact O-N 3.2Å; T117-E119 PolarHBondContact OG1-N 3.02Å; T117-D120 PolarHBondContact N-OD2 2.75Å; T117-D120 PolarHBondContact O-N 3.34Å; T117-D120 VanDerWaalsContact O-N 3.17Å; T117-D120 PolarHBondContact OG1-OD2 3.27Å
118	F	96.4	Very high	95.2	Very high	73 Å²	73	64.7 Å²	64.7	32%	0.32	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-63.3	-23.7	176	-65	-76	0	0	0	113.1	L45 N46 E77 L79 D120 L121	L45-F118 HydrophobicContact CB-CE2 3.6Å; L45-F118 HydrophobicContact CB-CZ 3.97Å; L45-F118 HydrophobicContact CD1-CD2 4.42Å; L45-F118 HydrophobicContact CD1-CE2 4.27Å; N46-F118 HydrophobicContact CB-CE2 4.08Å; N46-F118 HydrophobicContact CB-CZ 3.76Å; E77-F118 HydrophobicContact CB-CE1 3.98Å; L79-F118 HydrophobicContact CB-CD1 4.48Å; L79-F118 HydrophobicContact CB-CE1 3.82Å; L79-F118 HydrophobicContact CB-CZ 3.89Å; F118-D120 VanDerWaalsContact C-N 3.32Å; F118-L121 HydrophobicContact CB-CD1 4.23Å; F118-L121 HydrophobicContact CD1-CD1 3.77Å; F118-L121 HydrophobicContact CG-CD1 4.47Å; F118-L121 WeakPolarHBondContact O-CB 3.37Å; F118-L121 WeakPolarHBondContact O-CG 3.4Å
119	E	95.2	Very high	95.2	Very high	162 Å²	162	64.9 Å²	64.9	76%	0.757	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-71.5	-28.8	176.7	-60.8	-176.2	175	0	0	112.4	T117 L121 N122	T117-E119 PolarHBondContact O-N 3.2Å; T117-E119 PolarHBondContact OG1-N 3.02Å; E119-L121 PolarHBondContact O-N 3.38Å; E119-N122 PolarHBondContact O-ND2 3.08Å
120	D	94.9	Very high	95.1	Very high	72 Å²	72	73 Å²	73	39%	0.385	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-76.9	-9.4	-178.4	-59.9	-62	0	0	0	113.3	M116 T117 F118 N122 A123	M116-D120 HydrophobicContact CE-CB 4.11Å; M116-D120 HydrophobicContact SD-CB 3.55Å; M116-D120 VanDerWaalsContact SD-CB 3.55Å; T117-D120 PolarHBondContact N-OD2 2.75Å; T117-D120 PolarHBondContact O-N 3.34Å; T117-D120 VanDerWaalsContact O-N 3.17Å; T117-D120 PolarHBondContact OG1-OD2 3.27Å; F118-D120 VanDerWaalsContact C-N 3.32Å; D120-N122 PolarHBondContact O-N 2.7Å; D120-N122 VanDerWaalsContact O-N 3.16Å; D120-A123 WeakPolarHBondContact O-CB 3.2Å; D120-A123 PolarHBondContact O-N 2.84Å
121	L	94.2	Very high	95.2	Very high	32 Å²	32	72.8 Å²	72.8	17%	0.168	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-68.9	-10.4	-177.2	-62	176	0	0	0	113.8	L79 Y110 M116 F118 E119 A123 H157	L79-L121 HydrophobicContact CD1-CD2 4.42Å; Y110-L121 HydrophobicContact CE2-CD2 3.73Å; M116-L121 HydrophobicContact CE-CD2 4.04Å; F118-L121 HydrophobicContact CB-CD1 4.23Å; F118-L121 HydrophobicContact CD1-CD1 3.77Å; F118-L121 HydrophobicContact CG-CD1 4.47Å; F118-L121 WeakPolarHBondContact O-CB 3.37Å; F118-L121 WeakPolarHBondContact O-CG 3.4Å; E119-L121 PolarHBondContact O-N 3.38Å; L121-A123 PolarHBondContact O-N 3.22Å; L121-H157 VanDerWaalsContact CD1-CE1 3.5Å; L121-H157 WeakPolarHBondContact CD1-CE1 3.47Å; L121-H157 WeakPolarHBondContact CD1-NE2 3.26Å; L121-H157 HydrophobicContact CD2-CB 3.85Å
122	N	91.1	Very high	95.2	Very high	156 Å²	156	74.4 Å²	74.4	83%	0.834	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-66.4	-17.2	172.4	-67.2	-62.9	0	0	0	113	E119 D120	E119-N122 PolarHBondContact O-ND2 3.08Å; D120-N122 PolarHBondContact O-N 2.7Å; D120-N122 VanDerWaalsContact O-N 3.16Å
123	A	91	Very high	95.3	Very high	43 Å²	43	74.7 Å²	74.7	36%	0.355	39%	0.387	S	S	.	.	S	Bend	trans	-75.8	153.8	177.2	0	0	0	0	0	111.9	D120 L121 C125	D120-A123 WeakPolarHBondContact O-CB 3.2Å; D120-A123 PolarHBondContact O-N 2.84Å; L121-A123 PolarHBondContact O-N 3.22Å; A123-C125 PolarHBondContact O-N 2.93Å
124	E	93.3	Very high	95.5	Very high	161 Å²	161	72.1 Å²	72.1	75%	0.752	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-59.9	132.6	175.9	-169.2	-178.7	173.7	0	0	111
125	C	95.9	Very high	95.7	Very high	32 Å²	32	69.9 Å²	69.9	22%	0.216	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-84.4	150.1	172.5	72.7	0	0	0	0	111.1	Y110 A123	Y110-C125 HydrophobicContact CD1-CB 3.99Å; Y110-C125 VanDerWaalsContact CE1-CA 3.48Å; Y110-C125 HydrophobicContact CE1-CB 3.48Å; Y110-C125 VanDerWaalsContact CE1-CB 3.48Å; Y110-C125 HydrophobicContact CE2-CB 4.24Å; A123-C125 PolarHBondContact O-N 2.93Å
126	E	96.6	Very high	95.8	Very high	65 Å²	65	65.9 Å²	65.9	30%	0.304	35%	0.347	S	S	.	.	S	Bend	trans	-70.9	-36.1	-180	-69.6	-66	173.6	0	0	111.8	L109 K111 R147 F148	L109-E126 WeakPolarHBondContact O-CB 3.45Å; L109-E126 PolarHBondContact O-N 3.1Å; K111-E126 HydrophobicContact CB-CG 3.87Å; E126-R147 WeakPolarHBondContact O-CD 3.34Å; E126-R147 PolarHBondContact O-NH1 3.31Å; E126-F148 HydrophobicContact CB-CE1 3.89Å; E126-F148 HydrophobicContact CB-CE2 4.26Å; E126-F148 HydrophobicContact CB-CZ 3.54Å
127	Q	97.7	Very high	95.8	Very high	26 Å²	26	65.6 Å²	65.6	12%	0.121	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	138.1	175.3	-172.7	166.4	-30.9	0	0	108.9	L109 L129 P142 F148	L109-Q127 VanDerWaalsContact CD1-O 3.27Å; L109-Q127 WeakPolarHBondContact CD1-O 3.33Å; L109-Q127 PolarHBondContact N-O 2.75Å; Q127-L129 HydrophobicContact CG-CD2 4.14Å; Q127-P142 PolarHBondContact NE2-O 3.24Å; Q127-F148 HydrophobicContact CB-CE2 3.72Å; Q127-F148 HydrophobicContact CB-CZ 3.81Å
128	S	97.5	Very high	95.6	Very high	52 Å²	52	68.4 Å²	68.4	36%	0.364	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144.4	167.1	-169.8	0	0	0	0	108.9	V107 S108	V107-S128 CarbonylContact O-C 3.56Å; V107-S128 WeakPolarHBondContact O-CA 3.31Å; V107-S128 PolarHBondContact O-OG 2.97Å; S108-S128 PolarHBondContact OG-OG 3.19Å
129	L	98.2	Very high	95.5	Very high	17 Å²	17	67.4 Å²	67.4	9%	0.089	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.9	-179.5	-57.7	172.1	0	0	0	109.3	I93 Q106 V107 L109 Q127 L131 Y141 L143	I93-L129 HydrophobicContact CG2-CD1 3.66Å; Q106-L129 WeakPolarHBondContact CA-O 3.23Å; V107-L129 HydrophobicContact CG1-CB 3.79Å; V107-L129 HydrophobicContact CG1-CD1 3.99Å; V107-L129 HydrophobicContact CG1-CG 4.29Å; V107-L129 PolarHBondContact N-O 3.47Å; V107-L129 PolarHBondContact O-N 2.91Å; L109-L129 HydrophobicContact CD1-CD1 3.79Å; L109-L129 HydrophobicContact CD1-CG 3.94Å; Q127-L129 HydrophobicContact CG-CD2 4.14Å; L129-L131 HydrophobicContact CB-CD2 4.25Å; L129-Y141 HydrophobicContact CD1-CG 4.43Å; L129-L143 HydrophobicContact CD1-CD2 3.88Å; L129-L143 HydrophobicContact CD2-CD2 4.33Å; L129-L143 HydrophobicContact CG-CD2 4.47Å
130	E	98.1	Very high	95.5	Very high	171 Å²	171	61.6 Å²	61.6	80%	0.799	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.6	163.9	-66.4	177.8	-174.6	0	0	107.9	Y141	E130-Y141 WeakPolarHBondContact O-CE1 3.42Å
131	L	97.9	Very high	95.6	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-101.9	144.6	-175.7	-55.2	176.1	0	0	0	109.5	I95 P104 S105 V107 L129 Y141 F158 Y162	I95-L131 HydrophobicContact CB-CD1 4.44Å; I95-L131 HydrophobicContact CD1-CD1 3.79Å; I95-L131 HydrophobicContact CD1-CD2 3.73Å; I95-L131 HydrophobicContact CD1-CG 4.43Å; I95-L131 HydrophobicContact CG2-CD1 4.1Å; P104-L131 HydrophobicContact CB-CD1 3.97Å; P104-L131 HydrophobicContact CG-CD1 4.04Å; P104-L131 WeakPolarHBondContact O-CB 3.34Å; S105-L131 PolarHBondContact O-N 2.94Å; V107-L131 HydrophobicContact CB-CD1 4.2Å; V107-L131 HydrophobicContact CG1-CD1 3.94Å; V107-L131 HydrophobicContact CG1-CD2 3.91Å; V107-L131 HydrophobicContact CG1-CG 4.1Å; L129-L131 HydrophobicContact CB-CD2 4.25Å; L131-Y141 WeakPolarHBondContact CA-OH 3.49Å; L131-Y141 HydrophobicContact CD2-CD1 4.11Å; L131-Y141 HydrophobicContact CD2-CD2 3.94Å; L131-Y141 HydrophobicContact CD2-CE1 3.8Å; L131-Y141 HydrophobicContact CD2-CE2 3.62Å; L131-Y141 HydrophobicContact CD2-CG 4.17Å; L131-F158 HydrophobicContact CD1-CD1 4.42Å; L131-F158 HydrophobicContact CD1-CE1 4.16Å; L131-Y162 PolarHBondContact O-OH 2.9Å
132	T	97.1	Very high	95.7	Very high	73 Å²	73	62.3 Å²	62.3	45%	0.448	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-95.3	151	166.3	56.9	0	0	0	0	110.6	H103 D134 Y141 Y162	H103-T132 PolarHBondContact CE1-O 2.87Å; T132-D134 PolarHBondContact O-N 2.87Å; T132-D134 VanDerWaalsContact O-N 3.12Å; T132-Y141 PolarHBondContact N-OH 2.83Å; T132-Y141 PolarHBondContact OG1-OH 3.31Å; T132-Y162 VanDerWaalsContact CA-OH 3.32Å; T132-Y162 WeakPolarHBondContact CA-OH 3.41Å
133	I	97.5	Very high	96	Very high	73 Å²	73	55.4 Å²	55.4	37%	0.374	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-56.8	117.6	170.4	-58.4	-178.8	0	0	0	109.1	H103 Y162	H103-I133 HydrophobicContact CB-CG1 4.1Å; H103-I133 HydrophobicContact CB-CG2 4.42Å; I133-Y162 HydrophobicContact CD1-CD1 4.38Å; I133-Y162 HydrophobicContact CD1-CD2 4.02Å; I133-Y162 HydrophobicContact CD1-CE2 4.27Å; I133-Y162 HydrophobicContact CD1-CG 4.04Å; I133-Y162 HydrophobicContact CG1-CD1 4.46Å; I133-Y162 HydrophobicContact CG1-CD2 3.51Å; I133-Y162 HydrophobicContact CG1-CE1 4.38Å; I133-Y162 HydrophobicContact CG1-CE2 3.39Å; I133-Y162 HydrophobicContact CG1-CG 4.04Å
134	D	96.7	Very high	96.2	Very high	10 Å²	10	58.9 Å²	58.9	5%	0.053	31%	0.307	C	S	.	.			trans	-146.8	82.8	-177.9	178.2	19.9	0	0	0	110.9	S96 H103 T132 N136 G137 E138 V139	S96-D134 VanDerWaalsContact CA-O 3.31Å; S96-D134 WeakPolarHBondContact CA-O 3.22Å; S96-D134 WeakPolarHBondContact CB-O 3.36Å; S96-D134 PolarHBondContact OG-O 2.85Å; H103-D134 PolarHBondContact NE2-N 3.35Å; T132-D134 PolarHBondContact O-N 2.87Å; T132-D134 VanDerWaalsContact O-N 3.12Å; D134-N136 PolarHBondContact O-N 2.81Å; D134-N136 PolarHBondContact OD1-N 3.4Å; D134-G137 PolarHBondContact O-N 3.06Å; D134-G137 PolarHBondContact OD1-N 2.61Å; D134-G137 VanDerWaalsContact OD1-N 3.09Å; D134-G137 VanDerWaalsContact OD2-C 3.31Å; D134-G137 VanDerWaalsContact OD2-CA 3.26Å; D134-G137 WeakPolarHBondContact OD2-CA 3.39Å; D134-G137 PolarHBondContact OD2-N 2.72Å; D134-E138 PolarHBondContact OD1-N 2.82Å; D134-E138 PolarHBondContact OD2-N 3.09Å; D134-V139 HydrophobicContact CB-CB 4.5Å; D134-V139 HydrophobicContact CB-CG2 4.06Å; D134-V139 PolarHBondContact OD2-N 3.37Å
135	P	95.5	Very high	96.2	Very high	30 Å²	30	54.8 Å²	54.8	20%	0.195	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-7.5	-179.6	30.8	-38.2	0	0	0	114	S96 G97 D99 H170	S96-P135 WeakPolarHBondContact OG-CA 3.44Å; S96-P135 PolarHBondContact OG-O 3.05Å; G97-P135 WeakPolarHBondContact O-CA 3.23Å; D99-P135 HydrophobicContact CB-CB 3.92Å; D99-P135 HydrophobicContact CB-CG 4Å; P135-H170 PolarHBondContact O-CE1 2.76Å; P135-H170 VanDerWaalsContact O-CE1 3.27Å; P135-H170 PolarHBondContact O-NE2 2.75Å
136	N	94.9	Very high	96	Very high	69 Å²	69	58 Å²	58	37%	0.369	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-5.3	-177.5	-68.3	-59.9	0	0	0	113.9	S96 D134 E138	S96-N136 PolarHBondContact OG-N 3.37Å; D134-N136 PolarHBondContact O-N 2.81Å; D134-N136 PolarHBondContact OD1-N 3.4Å; N136-E138 HydrophobicContact CB-CG 3.79Å
137	G	94.1	Very high	95.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.315	C	S	.	.			trans	61.8	45.6	-179.4	0	0	0	0	0	112.1	R63 I94 S96 D134	R63-G137 VanDerWaalsContact CD-O 3.3Å; R63-G137 WeakPolarHBondContact CD-O 3.29Å; R63-G137 PolarHBondContact NE-O 2.8Å; I94-G137 WeakPolarHBondContact CG2-O 3.44Å; S96-G137 PolarHBondContact OG-N 3.15Å; S96-G137 VanDerWaalsContact OG-N 3.12Å; D134-G137 PolarHBondContact O-N 3.06Å; D134-G137 PolarHBondContact OD1-N 2.61Å; D134-G137 VanDerWaalsContact OD1-N 3.09Å; D134-G137 VanDerWaalsContact OD2-C 3.31Å; D134-G137 VanDerWaalsContact OD2-CA 3.26Å; D134-G137 WeakPolarHBondContact OD2-CA 3.39Å; D134-G137 PolarHBondContact OD2-N 2.72Å
138	E	93.3	Very high	95.8	Very high	115 Å²	115	58.2 Å²	58.2	54%	0.537	31%	0.309	S	S	.	.			trans	-95.8	-22.4	179.5	-61.1	-172.7	164.7	0	0	112.4	K64 D134 N136	K64-E138 IonicContact NZ-OE1 2.83Å; K64-E138 PolarHBondContact NZ-OE1 3.19Å; D134-E138 PolarHBondContact OD1-N 2.82Å; D134-E138 PolarHBondContact OD2-N 3.09Å; N136-E138 HydrophobicContact CB-CG 3.79Å
139	V	95	Very high	95.6	Very high	51 Å²	51	57.5 Å²	57.5	31%	0.309	31%	0.305	S	S	.	.			trans	-85.2	122.5	179.5	-174.9	0	0	0	0	110.1	D134 Y141	D134-V139 HydrophobicContact CB-CB 4.5Å; D134-V139 HydrophobicContact CB-CG2 4.06Å; D134-V139 PolarHBondContact OD2-N 3.37Å; V139-Y141 HydrophobicContact CB-CE2 4.01Å; V139-Y141 HydrophobicContact CG1-CD1 4.36Å; V139-Y141 HydrophobicContact CG1-CD2 4.22Å; V139-Y141 HydrophobicContact CG1-CE1 3.81Å; V139-Y141 HydrophobicContact CG1-CE2 3.65Å; V139-Y141 VanDerWaalsContact CG1-CZ 3.42Å
140	I	95.2	Very high	95.3	Very high	40 Å²	40	61.8 Å²	61.8	21%	0.205	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.9	176.3	-59.3	163.3	0	0	0	108.2	A25 S92 I94 P142	A25-I140 HydrophobicContact CB-CD1 4.09Å; S92-I140 VanDerWaalsContact CB-CG2 3.48Å; S92-I140 WeakPolarHBondContact OG-CG2 3.44Å; I94-I140 HydrophobicContact CD1-CG1 4.07Å; I94-I140 HydrophobicContact CG1-CB 4.49Å; I94-I140 HydrophobicContact CG1-CG1 3.94Å; I140-P142 WeakPolarHBondContact O-CD 3.47Å
141	Y	97	Very high	95.2	Very high	22 Å²	22	53.7 Å²	53.7	9%	0.086	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	112.1	177.8	-59.8	-87.6	0	0	0	110.3	S92 I93 L129 E130 L131 T132 V139	S92-Y141 WeakPolarHBondContact CA-O 3.26Å; S92-Y141 VanDerWaalsContact CB-O 3.23Å; S92-Y141 WeakPolarHBondContact CB-O 3.48Å; I93-Y141 PolarHBondContact N-O 3.3Å; I93-Y141 PolarHBondContact O-N 2.79Å; L129-Y141 HydrophobicContact CD1-CG 4.43Å; E130-Y141 WeakPolarHBondContact O-CE1 3.42Å; L131-Y141 WeakPolarHBondContact CA-OH 3.49Å; L131-Y141 HydrophobicContact CD2-CD1 4.11Å; L131-Y141 HydrophobicContact CD2-CD2 3.94Å; L131-Y141 HydrophobicContact CD2-CE1 3.8Å; L131-Y141 HydrophobicContact CD2-CE2 3.62Å; L131-Y141 HydrophobicContact CD2-CG 4.17Å; T132-Y141 PolarHBondContact N-OH 2.83Å; T132-Y141 PolarHBondContact OG1-OH 3.31Å; V139-Y141 HydrophobicContact CB-CE2 4.01Å; V139-Y141 HydrophobicContact CG1-CD1 4.36Å; V139-Y141 HydrophobicContact CG1-CD2 4.22Å; V139-Y141 HydrophobicContact CG1-CE1 3.81Å; V139-Y141 HydrophobicContact CG1-CE2 3.65Å; V139-Y141 VanDerWaalsContact CG1-CZ 3.42Å
142	P	96.3	Very high	95	Very high	98 Å²	98	58.6 Å²	58.6	64%	0.636	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	137.4	179.3	29.3	-34.1	0	0	0	111.4	Q127 I140	Q127-P142 PolarHBondContact NE2-O 3.24Å; I140-P142 WeakPolarHBondContact O-CD 3.47Å
143	L	96.4	Very high	94.9	Very high	11 Å²	11	56.3 Å²	56.3	6%	0.058	30%	0.298	C	S	.	.			trans	-103.5	152.4	174.4	-59.9	-176.7	0	0	0	110.8	V90 M91 I93 L109 L129 I145 F148	V90-L143 HydrophobicContact CB-CD1 4.16Å; V90-L143 HydrophobicContact CG1-CD1 3.63Å; M91-L143 PolarHBondContact O-N 3.03Å; I93-L143 HydrophobicContact CG2-CD2 4.23Å; I93-L143 HydrophobicContact CG2-CG 4.5Å; L109-L143 HydrophobicContact CD1-CD2 4.4Å; L109-L143 HydrophobicContact CD2-CD1 3.72Å; L109-L143 HydrophobicContact CD2-CD2 3.85Å; L109-L143 HydrophobicContact CD2-CG 4.47Å; L129-L143 HydrophobicContact CD1-CD2 3.88Å; L129-L143 HydrophobicContact CD2-CD2 4.33Å; L129-L143 HydrophobicContact CG-CD2 4.47Å; L143-I145 PolarHBondContact O-N 2.83Å; L143-F148 HydrophobicContact CB-CD2 3.76Å; L143-F148 HydrophobicContact CB-CE2 4.07Å; L143-F148 HydrophobicContact CB-CG 4.49Å; L143-F148 HydrophobicContact CD1-CD2 4.14Å; L143-F148 HydrophobicContact CD1-CE2 4.3Å; L143-F148 HydrophobicContact CD1-CG 4.25Å; L143-F148 HydrophobicContact CD2-CE2 4.34Å; L143-F148 HydrophobicContact CG-CD2 4.45Å; L143-F148 HydrophobicContact CG-CE2 4.48Å
144	K	95.6	Very high	94.9	Very high	116 Å²	116	52.8 Å²	52.8	50%	0.504	28%	0.28	S	S	.	.			trans	-71.5	96	172.5	-68.6	175.9	-176.1	173.4	0	109.4	S146 R147 F148	K144-S146 PolarHBondContact O-N 3.35Å; K144-R147 HydrophobicContact CB-CB 4.47Å; K144-R147 HydrophobicContact CB-CG 4.25Å; K144-R147 WeakPolarHBondContact O-CB 3.42Å; K144-R147 PolarHBondContact O-N 2.75Å; K144-F148 WeakPolarHBondContact O-CD2 3.46Å; K144-F148 PolarHBondContact O-N 3.06Å
145	I	92.8	Very high	95	Very high	74 Å²	74	52.3 Å²	52.3	38%	0.379	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-37.2	-177.5	-59.9	176.2	0	0	0	112.9	K89 M91 L143 R147 F148 S149	K89-I145 HydrophobicContact CD-CG2 3.6Å; K89-I145 HydrophobicContact CG-CG2 3.72Å; M91-I145 HydrophobicContact CB-CG1 4.47Å; M91-I145 HydrophobicContact CE-CD1 4.01Å; M91-I145 HydrophobicContact CG-CD1 4.02Å; M91-I145 HydrophobicContact CG-CG1 4.13Å; L143-I145 PolarHBondContact O-N 2.83Å; I145-R147 VanDerWaalsContact C-N 3.28Å; I145-R147 PolarHBondContact O-N 3.07Å; I145-F148 CarbonylContact O-C 3.54Å; I145-F148 PolarHBondContact O-N 3.22Å; I145-S149 PolarHBondContact O-N 3.48Å; I145-S149 VanDerWaalsContact O-N 3.16Å
146	S	93.3	Very high	95.2	Very high	101 Å²	101	50.9 Å²	50.9	71%	0.706	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-37.7	177.5	53.1	0	0	0	0	113	K144 S149	K144-S146 PolarHBondContact O-N 3.35Å; S146-S149 PolarHBondContact O-OG 3.11Å
147	R	94	Very high	95.3	Very high	94 Å²	94	48.2 Å²	48.2	36%	0.355	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-38.6	176.8	-62.1	-167.7	175	-163.9	-11.5	111.6	K111 E126 K144 I145 S149	K111-R147 WeakPolarHBondContact CD-O 3.44Å; K111-R147 PolarHBondContact NZ-O 2.89Å; E126-R147 WeakPolarHBondContact O-CD 3.34Å; E126-R147 PolarHBondContact O-NH1 3.31Å; K144-R147 HydrophobicContact CB-CB 4.47Å; K144-R147 HydrophobicContact CB-CG 4.25Å; K144-R147 WeakPolarHBondContact O-CB 3.42Å; K144-R147 PolarHBondContact O-N 2.75Å; I145-R147 VanDerWaalsContact C-N 3.28Å; I145-R147 PolarHBondContact O-N 3.07Å; R147-S149 PolarHBondContact O-N 2.69Å
148	F	96.2	Very high	95.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	34.6	-175.6	-60.6	-82.1	0	0	0	114.8	K89 V90 L109 E126 Q127 L143 K144 I145 V151 L154	K89-F148 CarbonylContact C-O 3.6Å; K89-F148 WeakPolarHBondContact CA-O 3.43Å; V90-F148 HydrophobicContact CB-CB 3.96Å; V90-F148 HydrophobicContact CG2-CB 4.48Å; V90-F148 PolarHBondContact N-O 3.17Å; V90-F148 WeakPolarHBondContact O-CB 3.41Å; L109-F148 HydrophobicContact CB-CE1 3.79Å; L109-F148 HydrophobicContact CB-CZ 3.67Å; L109-F148 HydrophobicContact CD2-CE1 4.11Å; L109-F148 HydrophobicContact CD2-CZ 4.08Å; L109-F148 HydrophobicContact CG-CZ 4.44Å; E126-F148 HydrophobicContact CB-CE1 3.89Å; E126-F148 HydrophobicContact CB-CE2 4.26Å; E126-F148 HydrophobicContact CB-CZ 3.54Å; Q127-F148 HydrophobicContact CB-CE2 3.72Å; Q127-F148 HydrophobicContact CB-CZ 3.81Å; L143-F148 HydrophobicContact CB-CD2 3.76Å; L143-F148 HydrophobicContact CB-CE2 4.07Å; L143-F148 HydrophobicContact CB-CG 4.49Å; L143-F148 HydrophobicContact CD1-CD2 4.14Å; L143-F148 HydrophobicContact CD1-CE2 4.3Å; L143-F148 HydrophobicContact CD1-CG 4.25Å; L143-F148 HydrophobicContact CD2-CE2 4.34Å; L143-F148 HydrophobicContact CG-CD2 4.45Å; L143-F148 HydrophobicContact CG-CE2 4.48Å; K144-F148 WeakPolarHBondContact O-CD2 3.46Å; K144-F148 PolarHBondContact O-N 3.06Å; I145-F148 CarbonylContact O-C 3.54Å; I145-F148 PolarHBondContact O-N 3.22Å; F148-V151 HydrophobicContact CB-CG2 4.17Å; F148-V151 WeakPolarHBondContact O-CG2 3.23Å; F148-L154 HydrophobicContact CD1-CD1 4.05Å; F148-L154 HydrophobicContact CE1-CD1 3.89Å
149	S	92	Very high	95.7	Very high	38 Å²	38	43.9 Å²	43.9	27%	0.266	24%	0.236	S	C	.	.	S	Bend	trans	-93.4	144.6	170.5	59.9	0	0	0	0	111.6	K111 I145 S146 R147 V151	K111-S149 WeakPolarHBondContact CE-O 3.4Å; K111-S149 PolarHBondContact NZ-O 2.82Å; I145-S149 PolarHBondContact O-N 3.48Å; I145-S149 VanDerWaalsContact O-N 3.16Å; S146-S149 PolarHBondContact O-OG 3.11Å; R147-S149 PolarHBondContact O-N 2.69Å; S149-V151 PolarHBondContact O-N 2.75Å
150	N	92.7	Very high	95.8	Very high	107 Å²	107	42.6 Å²	42.6	57%	0.572	23%	0.231	S	C	*	.	S	Bend	trans	55.6	47.6	-178	-54	-48.7	0	0	0	113	I88 N112	I88-N150 PolarHBondContact O-N 3.07Å; I88-N150 VanDerWaalsContact O-N 3.11Å; N112-N150 PolarHBondContact ND2-O 2.9Å
151	V	95.1	Very high	96	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	131.3	174.3	-177.1	0	0	0	0	108.1	F84 I88 V90 K111 N112 F148 S149 T153 L154	F84-V151 HydrophobicContact CD2-CG1 4.39Å; F84-V151 HydrophobicContact CE2-CG1 4.17Å; I88-V151 HydrophobicContact CD1-CB 4.13Å; I88-V151 HydrophobicContact CD1-CG1 4.19Å; I88-V151 HydrophobicContact CG1-CB 3.61Å; I88-V151 HydrophobicContact CG1-CG1 4.18Å; I88-V151 WeakPolarHBondContact CG1-O 3.44Å; I88-V151 PolarHBondContact N-O 2.83Å; I88-V151 PolarHBondContact O-N 3.07Å; V90-V151 HydrophobicContact CG2-CB 4.47Å; V90-V151 HydrophobicContact CG2-CG2 4.2Å; K111-V151 HydrophobicContact CD-CG2 3.85Å; K111-V151 HydrophobicContact CG-CB 4.47Å; K111-V151 HydrophobicContact CG-CG1 4.32Å; K111-V151 HydrophobicContact CG-CG2 3.95Å; N112-V151 WeakPolarHBondContact OD1-CA 3.49Å; F148-V151 HydrophobicContact CB-CG2 4.17Å; F148-V151 WeakPolarHBondContact O-CG2 3.23Å; S149-V151 PolarHBondContact O-N 2.75Å; V151-T153 VanDerWaalsContact CG1-O 3.31Å; V151-T153 WeakPolarHBondContact CG1-O 3.36Å; V151-L154 HydrophobicContact CG1-CB 4.02Å
152	Q	93.9	Very high	96	Very high	108 Å²	108	44.9 Å²	44.9	51%	0.505	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-34.7	175	-67.5	-175.5	-25	0	0	110.9	F84 N87 N112	F84-Q152 WeakPolarHBondContact CD2-O 3.04Å; F84-Q152 PolarHBondContact N-O 2.83Å; N87-Q152 VanDerWaalsContact OD1-CG 3.29Å; N87-Q152 WeakPolarHBondContact OD1-CG 3.39Å; N87-Q152 PolarHBondContact OD1-NE2 2.83Å; N112-Q152 PolarHBondContact OD1-N 2.75Å
153	T	96	Very high	96	Very high	25 Å²	25	42.8 Å²	42.8	15%	0.153	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.5	168.1	63.1	0	0	0	0	109	I82 P83 N112 K113 P114 V151	I82-T153 CarbonylContact O-C 3.49Å; I82-T153 WeakPolarHBondContact O-CA 3.33Å; P83-T153 HydrophobicContact CB-CG2 4.38Å; N112-T153 VanDerWaalsContact CA-OG1 3.28Å; N112-T153 WeakPolarHBondContact CA-OG1 3.3Å; N112-T153 PolarHBondContact N-O 2.56Å; N112-T153 PolarHBondContact OD1-N 3.44Å; K113-T153 PolarHBondContact N-OG1 2.84Å; P114-T153 HydrophobicContact CB-CG2 4.27Å; V151-T153 VanDerWaalsContact CG1-O 3.31Å; V151-T153 WeakPolarHBondContact CG1-O 3.36Å
154	L	97.8	Very high	96	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.9	174	-179.2	71.6	0	0	0	108.1	I82 F84 L109 Y110 F148 V151 L156 L174	I82-L154 WeakPolarHBondContact CA-O 3.4Å; I82-L154 VanDerWaalsContact CB-O 3.24Å; I82-L154 WeakPolarHBondContact CB-O 3.4Å; I82-L154 PolarHBondContact N-O 2.93Å; I82-L154 PolarHBondContact O-N 2.96Å; F84-L154 HydrophobicContact CE2-CB 3.63Å; F84-L154 HydrophobicContact CZ-CB 4.13Å; L109-L154 HydrophobicContact CD2-CD1 4.42Å; Y110-L154 WeakPolarHBondContact O-CA 3.18Å; Y110-L154 WeakPolarHBondContact O-CD1 3.46Å; F148-L154 HydrophobicContact CD1-CD1 4.05Å; F148-L154 HydrophobicContact CE1-CD1 3.89Å; V151-L154 HydrophobicContact CG1-CB 4.02Å; L154-L156 HydrophobicContact CD1-CD2 4.49Å; L154-L156 HydrophobicContact CD2-CD2 3.88Å; L154-L156 HydrophobicContact CD2-CG 4.48Å; L154-L156 HydrophobicContact CG-CD2 3.97Å; L154-L174 HydrophobicContact CD2-CD1 4.07Å; L154-L174 HydrophobicContact CD2-CD2 3.88Å
155	S	98.3	Very high	96	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.1	171.5	-52.4	0	0	0	0	110.5	F80 N81 L109 Y110 K113	F80-S155 CarbonylContact O-C 3.57Å; F80-S155 WeakPolarHBondContact O-CA 3.44Å; F80-S155 WeakPolarHBondContact O-CB 3.25Å; N81-S155 WeakPolarHBondContact OD1-CB 3.38Å; N81-S155 PolarHBondContact OD1-OG 2.91Å; L109-S155 WeakPolarHBondContact CA-O 3.33Å; Y110-S155 PolarHBondContact N-O 2.84Å; Y110-S155 PolarHBondContact O-N 3.36Å; K113-S155 PolarHBondContact O-OG 3Å
156	L	98.5	Very high	96.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.1	178.6	-54.9	180	0	0	0	108.5	L79 F80 I82 I93 V107 L109 L154 F158 I172	L79-L156 CarbonylContact C-O 3.51Å; L79-L156 WeakPolarHBondContact CA-O 3.5Å; F80-L156 HydrophobicContact CB-CB 4.27Å; F80-L156 PolarHBondContact N-O 3.07Å; F80-L156 PolarHBondContact O-N 2.89Å; I82-L156 HydrophobicContact CD1-CD1 3.64Å; I82-L156 HydrophobicContact CD1-CG 3.83Å; I93-L156 HydrophobicContact CD1-CD1 3.72Å; I93-L156 HydrophobicContact CD1-CD2 4.05Å; V107-L156 HydrophobicContact CG2-CB 4.21Å; L109-L156 HydrophobicContact CB-CD2 4.4Å; L109-L156 HydrophobicContact CD2-CD2 3.72Å; L109-L156 HydrophobicContact CG-CD2 3.63Å; L154-L156 HydrophobicContact CD1-CD2 4.49Å; L154-L156 HydrophobicContact CD2-CD2 3.88Å; L154-L156 HydrophobicContact CD2-CG 4.48Å; L154-L156 HydrophobicContact CG-CD2 3.97Å; L156-F158 HydrophobicContact CB-CE2 4.07Å; L156-I172 HydrophobicContact CD1-CD1 4.4Å; L156-I172 HydrophobicContact CD1-CG2 3.86Å
157	H	98.6	Very high	96.5	Very high	13 Å²	13	37.1 Å²	37.1	6%	0.06	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.7	176	174.3	-128.8	0	0	0	109.7	E77 L78 L79 V107 S108 Y110 L121	E77-H157 IonicContact OE1-CD2 3.07Å; E77-H157 IonicContact OE1-CE1 2.75Å; E77-H157 PolarHBondContact OE1-CE1 2.9Å; E77-H157 VanDerWaalsContact OE1-CE1 3.26Å; E77-H157 IonicContact OE1-NE2 3.4Å; E77-H157 PolarHBondContact OE1-NE2 3.17Å; L78-H157 CarbonylContact O-C 3.59Å; L78-H157 WeakPolarHBondContact O-CA 3.43Å; L79-H157 HydrophobicContact CD1-CB 3.91Å; V107-H157 CarbonylContact C-O 3.58Å; V107-H157 VanDerWaalsContact CA-O 3.26Å; V107-H157 WeakPolarHBondContact CA-O 3.08Å; S108-H157 PolarHBondContact N-O 3.15Å; S108-H157 PolarHBondContact O-N 2.92Å; Y110-H157 HydrophobicContact CE2-CB 3.97Å; L121-H157 VanDerWaalsContact CD1-CE1 3.5Å; L121-H157 WeakPolarHBondContact CD1-CE1 3.47Å; L121-H157 WeakPolarHBondContact CD1-NE2 3.26Å; L121-H157 HydrophobicContact CD2-CB 3.85Å
158	F	98.6	Very high	96.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	109.2	171.5	-63.1	-87	0	0	0	107.9	E77 L78 F80 I95 P104 Q106 V107 L131 L156 I169 I172	E77-F158 VanDerWaalsContact CA-O 3.26Å; E77-F158 WeakPolarHBondContact CA-O 3.29Å; L78-F158 HydrophobicContact CB-CB 4.26Å; L78-F158 HydrophobicContact CB-CD2 4.17Å; L78-F158 PolarHBondContact N-O 3.41Å; L78-F158 PolarHBondContact O-N 2.66Å; F80-F158 AromaticContact CD2-CD2 3.84Å; F80-F158 HydrophobicContact CD2-CD2 3.84Å; F80-F158 AromaticContact CD2-CE2 3.57Å; F80-F158 HydrophobicContact CD2-CE2 3.57Å; F80-F158 AromaticContact CE2-CD2 3.68Å; F80-F158 HydrophobicContact CE2-CD2 3.68Å; F80-F158 AromaticContact CE2-CE2 3.49Å; F80-F158 HydrophobicContact CE2-CE2 3.49Å; F80-F158 VanDerWaalsContact CE2-CE2 3.49Å; I95-F158 HydrophobicContact CD1-CE1 3.88Å; I95-F158 HydrophobicContact CD1-CZ 4.17Å; I95-F158 HydrophobicContact CG1-CE1 4.3Å; I95-F158 HydrophobicContact CG1-CZ 4.31Å; I95-F158 HydrophobicContact CG2-CE1 4.05Å; I95-F158 HydrophobicContact CG2-CZ 4.47Å; P104-F158 HydrophobicContact CB-CD1 3.55Å; P104-F158 HydrophobicContact CB-CE1 4.1Å; P104-F158 HydrophobicContact CB-CG 4.43Å; P104-F158 HydrophobicContact CG-CD1 4.12Å; P104-F158 HydrophobicContact CG-CE1 4.19Å; Q106-F158 WeakPolarHBondContact O-CA 3.5Å; V107-F158 HydrophobicContact CB-CD1 3.77Å; V107-F158 HydrophobicContact CB-CE1 3.78Å; V107-F158 HydrophobicContact CB-CZ 4.49Å; V107-F158 HydrophobicContact CG2-CD1 3.89Å; V107-F158 HydrophobicContact CG2-CD2 4.48Å; V107-F158 HydrophobicContact CG2-CE1 3.72Å; V107-F158 HydrophobicContact CG2-CE2 4.31Å; V107-F158 HydrophobicContact CG2-CG 4.29Å; V107-F158 HydrophobicContact CG2-CZ 3.95Å; L131-F158 HydrophobicContact CD1-CD1 4.42Å; L131-F158 HydrophobicContact CD1-CE1 4.16Å; L156-F158 HydrophobicContact CB-CE2 4.07Å; F158-I169 HydrophobicContact CD1-CD1 3.84Å; F158-I169 HydrophobicContact CD2-CD1 3.78Å; F158-I169 HydrophobicContact CE1-CD1 3.66Å; F158-I169 HydrophobicContact CE2-CD1 3.62Å; F158-I169 HydrophobicContact CG-CD1 3.88Å; F158-I169 HydrophobicContact CZ-CD1 3.55Å; F158-I172 HydrophobicContact CE2-CD1 4.03Å; F158-I172 HydrophobicContact CZ-CD1 4.04Å
159	S	97	Very high	96.9	Very high	24 Å²	24	36 Å²	36	17%	0.168	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-25.9	-173	49.4	0	0	0	0	113.6	Q106	Q106-S159 PolarHBondContact O-N 3.24Å; Q106-S159 PolarHBondContact OE1-OG 3.23Å
160	A	97.2	Very high	97.1	Very high	23 Å²	23	34.6 Å²	34.6	19%	0.19	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	154.8	-174.1	0	0	0	0	0	111.3	S105 Q106	S105-A160 PolarHBondContact N-O 3.08Å; S105-A160 WeakPolarHBondContact OG-CB 3.4Å; S105-A160 PolarHBondContact OG-O 3.43Å; Q106-A160 HydrophobicContact CB-CB 4.32Å; Q106-A160 PolarHBondContact N-O 3.27Å
161	N	97.9	Very high	97.3	Very high	14 Å²	14	29.6 Å²	29.6	8%	0.075	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-165.5	170.9	64.4	22.8	0	0	0	109.9	Q76 H103 S105 G163 G164 T166 T167	Q76-N161 WeakPolarHBondContact CB-ND2 3.4Å; H103-N161 CarbonylContact O-C 3.59Å; H103-N161 WeakPolarHBondContact O-CA 3.34Å; H103-N161 WeakPolarHBondContact O-CB 3.32Å; S105-N161 WeakPolarHBondContact CB-O 3.36Å; S105-N161 VanDerWaalsContact OG-C 3.23Å; S105-N161 WeakPolarHBondContact OG-CA 3.34Å; S105-N161 PolarHBondContact OG-N 2.77Å; S105-N161 PolarHBondContact OG-O 3.42Å; N161-G163 VanDerWaalsContact C-N 3.27Å; N161-G163 PolarHBondContact O-N 3.06Å; N161-G163 PolarHBondContact OD1-N 3.07Å; N161-G164 PolarHBondContact ND2-O 3.21Å; N161-G164 PolarHBondContact OD1-N 3.01Å; N161-G164 VanDerWaalsContact OD1-N 3.15Å; N161-G164 PolarHBondContact OD1-O 2.9Å; N161-T166 PolarHBondContact ND2-O 3.44Å; N161-T167 PolarHBondContact ND2-OG1 3.19Å
162	Y	97.8	Very high	97.5	Very high	96 Å²	96	29.7 Å²	29.7	38%	0.376	17%	0.165	S	C	.	.	S	Bend	trans	-87.8	15	-178.6	-84.7	-81.2	0	0	0	114.4	E101 H103 L131 T132 I133	E101-Y162 CarbonylContact O-C 3.52Å; E101-Y162 WeakPolarHBondContact O-CA 3.14Å; E101-Y162 PolarHBondContact O-N 3.46Å; H103-Y162 HydrophobicContact CB-CD2 4.07Å; H103-Y162 WeakPolarHBondContact O-CD2 3.13Å; H103-Y162 PolarHBondContact O-N 3.19Å; L131-Y162 PolarHBondContact O-OH 2.9Å; T132-Y162 VanDerWaalsContact CA-OH 3.32Å; T132-Y162 WeakPolarHBondContact CA-OH 3.41Å; I133-Y162 HydrophobicContact CD1-CD1 4.38Å; I133-Y162 HydrophobicContact CD1-CD2 4.02Å; I133-Y162 HydrophobicContact CD1-CE2 4.27Å; I133-Y162 HydrophobicContact CD1-CG 4.04Å; I133-Y162 HydrophobicContact CG1-CD1 4.46Å; I133-Y162 HydrophobicContact CG1-CD2 3.51Å; I133-Y162 HydrophobicContact CG1-CE1 4.38Å; I133-Y162 HydrophobicContact CG1-CE2 3.39Å; I133-Y162 HydrophobicContact CG1-CG 4.04Å
163	G	96	Very high	97.6	Very high	55 Å²	55	24.7 Å²	24.7	57%	0.567	14%	0.143	S	C	*	.	S	Bend	trans	117	1.9	177.8	0	0	0	0	0	114.6	E101 N161	E101-G163 PolarHBondContact O-N 3.37Å; N161-G163 VanDerWaalsContact C-N 3.27Å; N161-G163 PolarHBondContact O-N 3.06Å; N161-G163 PolarHBondContact OD1-N 3.07Å
164	G	96.6	Very high	97.6	Very high	11 Å²	11	23.7 Å²	23.7	11%	0.113	14%	0.136	C	C	.	.			trans	-72.3	155.2	175.1	0	0	0	0	0	112.6	E101 N161 T166	E101-G164 PolarHBondContact O-N 3.06Å; E101-G164 VanDerWaalsContact O-N 3.08Å; N161-G164 PolarHBondContact ND2-O 3.21Å; N161-G164 PolarHBondContact OD1-N 3.01Å; N161-G164 VanDerWaalsContact OD1-N 3.15Å; N161-G164 PolarHBondContact OD1-O 2.9Å; G164-T166 PolarHBondContact O-N 2.76Å
165	D	96.7	Very high	97.5	Very high	148 Å²	148	24.1 Å²	24.1	79%	0.791	14%	0.138	S	C	*	.	S	Bend	trans	-66.6	-28.8	176.9	-61.4	-41.2	0	0	0	112.5
166	T	97.8	Very high	97.3	Very high	23 Å²	23	24.4 Å²	24.4	14%	0.141	14%	0.141	C	C	.	.	S	Bend	trans	-131.2	157.4	178.8	59.3	0	0	0	0	110.6	E71 S72 Q102 N161 G164	E71-T166 PolarHBondContact OE1-OG1 3.36Å; S72-T166 WeakPolarHBondContact O-CG2 3.07Å; S72-T166 WeakPolarHBondContact OG-CA 3.5Å; S72-T166 WeakPolarHBondContact OG-CB 3.31Å; Q102-T166 WeakPolarHBondContact CA-O 3.36Å; Q102-T166 WeakPolarHBondContact CB-O 3.45Å; Q102-T166 WeakPolarHBondContact CG-O 3.38Å; Q102-T166 PolarHBondContact NE2-OG1 3.45Å; N161-T166 PolarHBondContact ND2-O 3.44Å; G164-T166 PolarHBondContact O-N 2.76Å
167	T	98.5	Very high	97	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.			trans	-101.2	131.4	174.3	-66.3	0	0	0	0	109.7	E71 S72 Q76 L78 Q102 P104 N161 I169	E71-T167 CarbonylContact C-O 3.52Å; E71-T167 VanDerWaalsContact CA-O 3.3Å; E71-T167 WeakPolarHBondContact CA-O 3.28Å; S72-T167 PolarHBondContact N-O 3.45Å; S72-T167 PolarHBondContact OG-N 3.07Å; Q76-T167 WeakPolarHBondContact O-CB 3.5Å; Q76-T167 PolarHBondContact O-OG1 2.73Å; L78-T167 HydrophobicContact CD1-CG2 4.16Å; Q102-T167 CarbonylContact O-C 3.59Å; Q102-T167 WeakPolarHBondContact O-CA 3.3Å; P104-T167 HydrophobicContact CB-CG2 3.91Å; P104-T167 HydrophobicContact CG-CG2 4.39Å; N161-T167 PolarHBondContact ND2-OG1 3.19Å; T167-I169 HydrophobicContact CG2-CD1 4.24Å; T167-I169 HydrophobicContact CG2-CG1 4.1Å
168	R	98.4	Very high	96.6	Very high	72 Å²	72	29.6 Å²	29.6	27%	0.272	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.1	177.4	-172.3	-178.7	-67.7	155.5	2.9	111.7	Y69 V70 E71 G97 A98 Q102	Y69-R168 HydrophobicContact CD2-CG 3.71Å; Y69-R168 HydrophobicContact CE2-CG 4.48Å; Y69-R168 HydrophobicContact CG-CG 4.05Å; V70-R168 WeakPolarHBondContact O-CA 3.4Å; E71-R168 HydrophobicContact CB-CG 4.47Å; E71-R168 VanDerWaalsContact CD-NH2 3.27Å; E71-R168 IonicContact OE1-CZ 3.89Å; E71-R168 IonicContact OE1-NE 3.92Å; E71-R168 IonicContact OE1-NH2 3.14Å; E71-R168 PolarHBondContact OE1-NH2 2.91Å; E71-R168 VanDerWaalsContact OE1-NH2 3.14Å; E71-R168 IonicContact OE2-CZ 3.32Å; E71-R168 VanDerWaalsContact OE2-CZ 3.32Å; E71-R168 IonicContact OE2-NE 3.11Å; E71-R168 PolarHBondContact OE2-NE 3.37Å; E71-R168 VanDerWaalsContact OE2-NE 3.11Å; E71-R168 IonicContact OE2-NH2 2.71Å; E71-R168 PolarHBondContact OE2-NH2 3.12Å; G97-R168 CarbonylContact C-O 3.6Å; G97-R168 WeakPolarHBondContact CA-O 3.4Å; A98-R168 HydrophobicContact CB-CB 4.14Å; A98-R168 PolarHBondContact N-O 3.25Å; A98-R168 VanDerWaalsContact N-O 3.07Å; Q102-R168 HydrophobicContact CB-CB 4.25Å; Q102-R168 PolarHBondContact O-N 2.72Å
169	I	98.7	Very high	96	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.5	-178.2	-57.8	175.8	0	0	0	108.7	V56 Y69 V70 L78 F80 S96 P104 F158 T167 I172	V56-I169 WeakPolarHBondContact CG1-O 3.44Å; Y69-I169 CarbonylContact C-O 3.6Å; Y69-I169 VanDerWaalsContact CA-O 3.23Å; Y69-I169 WeakPolarHBondContact CA-O 3.45Å; Y69-I169 WeakPolarHBondContact CB-O 3.18Å; V70-I169 HydrophobicContact CG1-CB 3.91Å; V70-I169 PolarHBondContact N-O 2.95Å; V70-I169 PolarHBondContact O-N 3.42Å; L78-I169 HydrophobicContact CD1-CD1 4.17Å; F80-I169 HydrophobicContact CE2-CD1 4.43Å; S96-I169 WeakPolarHBondContact O-CG2 3.4Å; P104-I169 HydrophobicContact CB-CD1 4.5Å; P104-I169 HydrophobicContact CG-CD1 4.05Å; P104-I169 HydrophobicContact CG-CG1 3.92Å; F158-I169 HydrophobicContact CD1-CD1 3.84Å; F158-I169 HydrophobicContact CD2-CD1 3.78Å; F158-I169 HydrophobicContact CE1-CD1 3.66Å; F158-I169 HydrophobicContact CE2-CD1 3.62Å; F158-I169 HydrophobicContact CG-CD1 3.88Å; F158-I169 HydrophobicContact CZ-CD1 3.55Å; T167-I169 HydrophobicContact CG2-CD1 4.24Å; T167-I169 HydrophobicContact CG2-CG1 4.1Å; I169-I172 HydrophobicContact CG2-CD1 4.19Å; I169-I172 HydrophobicContact CG2-CG1 3.76Å
170	H	96.8	Very high	95	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.032	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	-14.6	176.5	57.3	-93.8	0	0	0	114	K58 V68 S96 G97 P135	K58-H170 WeakPolarHBondContact CE-O 3.32Å; V68-H170 WeakPolarHBondContact O-CA 3.26Å; V68-H170 WeakPolarHBondContact O-CB 3.46Å; S96-H170 WeakPolarHBondContact CB-NE2 3.21Å; S96-H170 PolarHBondContact O-N 2.77Å; S96-H170 PolarHBondContact OG-CE1 3.36Å; S96-H170 PolarHBondContact OG-NE2 3.13Å; G97-H170 PolarHBondContact O-CE1 2.8Å; G97-H170 PolarHBondContact O-ND1 3.19Å; P135-H170 PolarHBondContact O-CE1 2.76Å; P135-H170 VanDerWaalsContact O-CE1 3.27Å; P135-H170 PolarHBondContact O-NE2 2.75Å
171	Y	98.2	Very high	93.7	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	132.4	175.5	-179.9	-101.2	0	0	0	113	V56 K58 R63 I94 S96 G173	V56-Y171 WeakPolarHBondContact O-CA 3.37Å; K58-Y171 HydrophobicContact CD-CD2 4.41Å; K58-Y171 HydrophobicContact CG-CD2 3.62Å; K58-Y171 HydrophobicContact CG-CE2 3.93Å; K58-Y171 WeakPolarHBondContact O-CE2 3.34Å; R63-Y171 HydrophobicContact CB-CD1 3.57Å; R63-Y171 HydrophobicContact CB-CD2 3.77Å; R63-Y171 HydrophobicContact CB-CE1 3.59Å; R63-Y171 HydrophobicContact CB-CE2 3.79Å; R63-Y171 HydrophobicContact CB-CG 3.65Å; I94-Y171 HydrophobicContact CB-CE1 4.14Å; I94-Y171 HydrophobicContact CG2-CD1 4.13Å; I94-Y171 HydrophobicContact CG2-CE1 3.94Å; S96-Y171 PolarHBondContact N-O 2.81Å; S96-Y171 PolarHBondContact O-N 3.2Å; S96-Y171 VanDerWaalsContact O-N 3.15Å; Y171-G173 VanDerWaalsContact CE1-CA 3.48Å; Y171-G173 WeakPolarHBondContact OH-CA 3.33Å
172	I	98.1	Very high	92.2	Very high	2 Å²	2	42 Å²	42	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	110.9	166.8	-57.8	176.1	0	0	0	108.4	V56 F57 F80 I93 I94 L156 F158 I169	V56-I172 HydrophobicContact CG2-CB 4.26Å; V56-I172 HydrophobicContact CG2-CD1 3.83Å; V56-I172 HydrophobicContact CG2-CG1 3.84Å; V56-I172 PolarHBondContact O-N 3.11Å; F57-I172 HydrophobicContact CD1-CB 4.13Å; F57-I172 HydrophobicContact CD1-CG2 4.33Å; F57-I172 WeakPolarHBondContact CD1-O 3.12Å; F57-I172 HydrophobicContact CE1-CB 3.7Å; F57-I172 HydrophobicContact CE1-CD1 4.48Å; F57-I172 HydrophobicContact CE1-CG2 3.59Å; F57-I172 HydrophobicContact CZ-CB 4.17Å; F57-I172 HydrophobicContact CZ-CD1 4.1Å; F57-I172 HydrophobicContact CZ-CG2 4.19Å; F80-I172 HydrophobicContact CD1-CD1 4.32Å; F80-I172 HydrophobicContact CD2-CD1 4.29Å; F80-I172 HydrophobicContact CE1-CD1 4.06Å; F80-I172 HydrophobicContact CE2-CD1 4.05Å; F80-I172 HydrophobicContact CG-CD1 4.43Å; F80-I172 HydrophobicContact CZ-CD1 3.92Å; I93-I172 HydrophobicContact CD1-CG2 4.15Å; I93-I172 HydrophobicContact CG1-CG2 4.44Å; I94-I172 WeakPolarHBondContact O-CA 3.17Å; L156-I172 HydrophobicContact CD1-CD1 4.4Å; L156-I172 HydrophobicContact CD1-CG2 3.86Å; F158-I172 HydrophobicContact CE2-CD1 4.03Å; F158-I172 HydrophobicContact CZ-CD1 4.04Å; I169-I172 HydrophobicContact CG2-CD1 4.19Å; I169-I172 HydrophobicContact CG2-CG1 3.76Å
173	G	96.5	Very high	90.3	Very high	3 Å²	3	48 Å²	48	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.9	178.7	0	0	0	0	0	111.6	I93 I94 Y171	I93-G173 CarbonylContact C-O 3.55Å; I93-G173 WeakPolarHBondContact CA-O 3.29Å; I94-G173 PolarHBondContact N-O 2.71Å; I94-G173 PolarHBondContact O-N 2.87Å; Y171-G173 VanDerWaalsContact CE1-CA 3.48Å; Y171-G173 WeakPolarHBondContact OH-CA 3.33Å
174	L	96.8	Very high	88.3	Confident	3 Å²	3	57 Å²	57	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.6	173.6	-61.6	176.2	0	0	0	110.1	L33 I37 I82 F84 V90 I93 L154	L33-L174 HydrophobicContact CB-CB 4.1Å; L33-L174 WeakPolarHBondContact CB-O 3.37Å; L33-L174 HydrophobicContact CD1-CB 4.21Å; L33-L174 PolarHBondContact N-O 3.11Å; I37-L174 HydrophobicContact CD1-CD1 4.2Å; I82-L174 HydrophobicContact CD1-CD1 4.33Å; I82-L174 HydrophobicContact CG2-CD1 4.46Å; F84-L174 HydrophobicContact CE1-CD1 3.82Å; F84-L174 HydrophobicContact CZ-CD1 3.52Å; V90-L174 HydrophobicContact CG1-CD2 4.47Å; I93-L174 HydrophobicContact CB-CD2 4.26Å; I93-L174 HydrophobicContact CD1-CD2 3.69Å; I93-L174 HydrophobicContact CG1-CD2 3.81Å; L154-L174 HydrophobicContact CD2-CD1 4.07Å; L154-L174 HydrophobicContact CD2-CD2 3.88Å
175	R	95	Very high	86.1	Confident	10 Å²	10	63.8 Å²	63.8	4%	0.038	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140.4	179	-71.4	-173.2	173	175.6	6.7	112.2	D26 D27 F31 Y60 M91 S92	D26-R175 PolarHBondContact O-NH1 2.63Å; D27-R175 IonicContact OD1-CZ 2.77Å; D27-R175 IonicContact OD1-NH1 3.26Å; D27-R175 PolarHBondContact OD1-NH1 3.2Å; D27-R175 VanDerWaalsContact OD1-NH1 3.07Å; D27-R175 IonicContact OD1-NH2 2.67Å; D27-R175 PolarHBondContact OD1-NH2 3.29Å; F31-R175 HydrophobicContact CB-CB 4.36Å; F31-R175 CarbonylContact O-C 3.48Å; F31-R175 VanDerWaalsContact O-CA 3.22Å; F31-R175 WeakPolarHBondContact O-CA 3.29Å; Y60-R175 PolarHBondContact OH-NH2 3.36Å; M91-R175 PolarHBondContact N-O 3.43Å; S92-R175 PolarHBondContact N-O 3.46Å; S92-R175 PolarHBondContact O-N 3.45Å; S92-R175 WeakPolarHBondContact OG-CB 3.43Å
176	G	94.4	Very high	84	Confident	6 Å²	6	60.6 Å²	60.6	6%	0.062	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.8	-157	175.5	0	0	0	0	0	114	F31 K89	F31-G176 PolarHBondContact O-N 2.91Å; K89-G176 CarbonylContact O-C 3.56Å; K89-G176 VanDerWaalsContact O-CA 3.25Å; K89-G176 WeakPolarHBondContact O-CA 3.46Å
177	D	92.2	Very high	81.9	Confident	47 Å²	47	65.4 Å²	65.4	25%	0.251	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	145.5	-177.8	-59.5	-44.2	0	0	0	111.3	I88 K89	I88-D177 CarbonylContact C-O 3.59Å; I88-D177 WeakPolarHBondContact CA-O 3.43Å; K89-D177 HydrophobicContact CB-CB 4.27Å; K89-D177 PolarHBondContact N-O 2.79Å; K89-D177 IonicContact NZ-OD2 3.9Å; K89-D177 PolarHBondContact NZ-OD2 2.84Å; K89-D177 PolarHBondContact O-N 3.08Å
178	Y	89.7	Confident	79.8	Confident	75 Å²	75	71.9 Å²	71.9	29%	0.294	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.6	170.9	171.6	-98.2	0	0	0	110.6	F36 I88 P180	F36-Y178 HydrophobicContact CB-CD2 3.92Å; F36-Y178 HydrophobicContact CB-CE2 4.29Å; F36-Y178 AromaticContact CD1-CD1 3.92Å; F36-Y178 HydrophobicContact CD1-CD1 3.92Å; F36-Y178 AromaticContact CD1-CD2 3.46Å; F36-Y178 HydrophobicContact CD1-CD2 3.46Å; F36-Y178 VanDerWaalsContact CD1-CD2 3.46Å; F36-Y178 HydrophobicContact CD1-CE1 4.04Å; F36-Y178 AromaticContact CD1-CE2 3.61Å; F36-Y178 HydrophobicContact CD1-CE2 3.61Å; F36-Y178 AromaticContact CD1-CG 3.62Å; F36-Y178 HydrophobicContact CD1-CG 3.62Å; F36-Y178 AromaticContact CD1-CZ 3.89Å; F36-Y178 AromaticContact CD2-CD2 3.99Å; F36-Y178 HydrophobicContact CD2-CD2 3.99Å; F36-Y178 AromaticContact CD2-CG 3.87Å; F36-Y178 HydrophobicContact CD2-CG 3.87Å; F36-Y178 AromaticContact CE1-CD1 3.44Å; F36-Y178 HydrophobicContact CE1-CD1 3.44Å; F36-Y178 VanDerWaalsContact CE1-CD1 3.44Å; F36-Y178 AromaticContact CE1-CD2 3.88Å; F36-Y178 HydrophobicContact CE1-CD2 3.88Å; F36-Y178 AromaticContact CE1-CE1 3.69Å; F36-Y178 HydrophobicContact CE1-CE1 3.69Å; F36-Y178 HydrophobicContact CE1-CE2 4.12Å; F36-Y178 AromaticContact CE1-CG 3.53Å; F36-Y178 HydrophobicContact CE1-CG 3.53Å; F36-Y178 HydrophobicContact CE2-CD1 4.29Å; F36-Y178 HydrophobicContact CE2-CD2 4.36Å; F36-Y178 AromaticContact CE2-CG 3.79Å; F36-Y178 HydrophobicContact CE2-CG 3.79Å; F36-Y178 AromaticContact CG-CD2 3.51Å; F36-Y178 HydrophobicContact CG-CD2 3.51Å; F36-Y178 HydrophobicContact CG-CE2 4.03Å; F36-Y178 AromaticContact CG-CG 3.79Å; F36-Y178 HydrophobicContact CG-CG 3.79Å; F36-Y178 AromaticContact CZ-CD1 3.64Å; F36-Y178 HydrophobicContact CZ-CD1 3.64Å; F36-Y178 HydrophobicContact CZ-CD2 4.31Å; F36-Y178 HydrophobicContact CZ-CE1 4.34Å; F36-Y178 AromaticContact CZ-CG 3.61Å; F36-Y178 HydrophobicContact CZ-CG 3.61Å; I88-Y178 HydrophobicContact CG2-CD2 4.11Å; Y178-P180 HydrophobicContact CE1-CB 4.29Å; Y178-P180 HydrophobicContact CE1-CG 3.82Å
179	T	85.6	Confident	77.8	Confident	85 Å²	85	73.3 Å²	73.3	52%	0.521	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.5	167.7	-55.6	0	0	0	0	108.2	N87 A181	N87-T179 PolarHBondContact N-O 2.77Å; N87-T179 PolarHBondContact O-N 2.93Å; T179-A181 PolarHBondContact O-N 3.05Å
180	P	77.2	Confident	75.8	Confident	87 Å²	87	79.8 Å²	79.8	57%	0.565	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-51.2	131.2	173.9	-23.4	30.9	0	0	0	110.1	Y178	Y178-P180 HydrophobicContact CE1-CB 4.29Å; Y178-P180 HydrophobicContact CE1-CG 3.82Å
181	A	70.2	Confident	74	Confident	43 Å²	43	88.5 Å²	88.5	36%	0.355	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-55.5	136.4	172.2	0	0	0	0	0	108.2	T179 R183	T179-A181 PolarHBondContact O-N 3.05Å; A181-R183 PolarHBondContact O-N 3.14Å
182	P	64.8	Low	72.3	Confident	107 Å²	107	95.9 Å²	95.9	70%	0.695	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-54.8	121.5	173.7	-12.7	21.6	0	0	0	106.8	R184	P182-R184 PolarHBondContact O-N 2.94Å
183	R	57.5	Low	70.3	Confident	220 Å²	220	103 Å²	103	83%	0.83	53%	0.526	S	S	*	.			trans	-56.1	114	164.1	-76.5	-178.4	174.8	161.1	-1.2	104.3	A181 E185	A181-R183 PolarHBondContact O-N 3.14Å; R183-E185 HydrophobicContact CB-CG 4.25Å; R183-E185 PolarHBondContact O-N 3.36Å
184	R	55	Low	68.3	Low	246 Å²	246	108.1 Å²	108.1	93%	0.928	56%	0.557	S	S	*	*			trans	-63.8	74.7	153.4	-78.4	-178	170.5	123.4	-5	104.8	P182 A186	P182-R184 PolarHBondContact O-N 2.94Å; R184-A186 VanDerWaalsContact C-N 3.32Å; R184-A186 PolarHBondContact O-N 3.01Å
185	E	50.5	Low	66.3	Low	152 Å²	152	113.5 Å²	113.5	71%	0.71	59%	0.592	S	S	*	*			trans	-51.2	116.8	149.2	-70.5	-176.9	-179.3	0	0	102.5	R183 V187	R183-E185 HydrophobicContact CB-CG 4.25Å; R183-E185 PolarHBondContact O-N 3.36Å; E185-V187 VanDerWaalsContact C-N 3.31Å; E185-V187 PolarHBondContact O-N 3.11Å
186	A	52.8	Low	65	Low	81 Å²	81	116.6 Å²	116.6	67%	0.669	61%	0.609	S	S	*	*			trans	-45	110.6	173.3	0	0	0	0	0	104.4	R184 I188	R184-A186 VanDerWaalsContact C-N 3.32Å; R184-A186 PolarHBondContact O-N 3.01Å; A186-I188 HydrophobicContact CB-CG1 4.49Å; A186-I188 PolarHBondContact O-N 3.08Å
187	V	52.8	Low	63.6	Low	125 Å²	125	122 Å²	122	76%	0.758	64%	0.641	S	S	*	*			trans	-66	90.9	172	174.9	0	0	0	0	101.7	E185 T189	E185-V187 VanDerWaalsContact C-N 3.31Å; E185-V187 PolarHBondContact O-N 3.11Å; V187-T189 PolarHBondContact O-N 3.15Å; V187-T189 PolarHBondContact O-OG1 3.39Å
188	I	55.3	Low	62.3	Low	136 Å²	136	124.1 Å²	124.1	70%	0.697	66%	0.66	S	S	*	*			trans	-65.1	92.4	171.6	-57	175	0	0	0	101.8	A186 N190	A186-I188 HydrophobicContact CB-CG1 4.49Å; A186-I188 PolarHBondContact O-N 3.08Å; I188-N190 WeakPolarHBondContact CG2-OD1 3.46Å; I188-N190 PolarHBondContact O-N 3.06Å
189	T	55.6	Low	61.1	Low	101 Å²	101	126.6 Å²	126.6	62%	0.62	68%	0.678	S	S	*	*			trans	-73.4	92	172.9	-54.4	0	0	0	0	102.9	V187 Y191	V187-T189 PolarHBondContact O-N 3.15Å; V187-T189 PolarHBondContact O-OG1 3.39Å; T189-Y191 HydrophobicContact CG2-CD2 4.28Å; T189-Y191 PolarHBondContact O-N 3.04Å
190	N	56.8	Low	60	Low	136 Å²	136	127.3 Å²	127.3	73%	0.727	68%	0.678	S	S	*	*			trans	-62.9	92.8	168.6	-82.8	21.3	0	0	0	106.3	I188 E192	I188-N190 WeakPolarHBondContact CG2-OD1 3.46Å; I188-N190 PolarHBondContact O-N 3.06Å; N190-E192 VanDerWaalsContact C-N 3.34Å; N190-E192 PolarHBondContact O-N 3.4Å; N190-E192 VanDerWaalsContact O-N 3.11Å
191	Y	59.5	Low	59.1	Low	190 Å²	190	131.3 Å²	131.3	75%	0.745	69%	0.686	S	S	*	*			trans	-70.8	100.3	161.8	-124.8	-94	0	0	0	105.2	T189 L193	T189-Y191 HydrophobicContact CG2-CD2 4.28Å; T189-Y191 PolarHBondContact O-N 3.04Å; Y191-L193 VanDerWaalsContact C-N 3.27Å; Y191-L193 HydrophobicContact CD1-CD2 4.13Å; Y191-L193 PolarHBondContact O-N 2.99Å
192	E	62	Low	58.5	Low	159 Å²	159	135.5 Å²	135.5	74%	0.743	70%	0.703	S	S	*	*			trans	-61.1	92.4	169.4	48.8	-164.3	150.6	0	0	108.6	N190 T194	N190-E192 VanDerWaalsContact C-N 3.34Å; N190-E192 PolarHBondContact O-N 3.4Å; N190-E192 VanDerWaalsContact O-N 3.11Å; E192-T194 PolarHBondContact O-N 3.25Å
193	L	55.5	Low	58	Low	150 Å²	150	136.1 Å²	136.1	79%	0.785	70%	0.7	S	S	*	*			trans	-79.9	4.1	178.4	-73.6	178	0	0	0	113.2	Y191	Y191-L193 VanDerWaalsContact C-N 3.27Å; Y191-L193 HydrophobicContact CD1-CD2 4.13Å; Y191-L193 PolarHBondContact O-N 2.99Å
194	T	54.6	Low	57.8	Low	112 Å²	112	131.4 Å²	131.4	69%	0.687	69%	0.69	S	S	*	*	S	Bend	trans	-98.9	112.8	171.4	38.7	0	0	0	0	109.2	E192 N196	E192-T194 PolarHBondContact O-N 3.25Å; T194-N196 PolarHBondContact O-N 3.06Å
195	P	56.4	Low	57.8	Low	116 Å²	116	126.7 Å²	126.7	75%	0.753	68%	0.683	S	S	*	*			trans	-54.3	117.7	171.4	20.6	-29.9	0	0	0	108.6	V197	P195-V197 PolarHBondContact O-N 3.27Å
196	N	67.5	Low	57.8	Low	74 Å²	74	126.9 Å²	126.9	40%	0.396	68%	0.683	S	S	.	*			trans	-72.5	118.4	177.3	-169.3	8.6	0	0	0	108.2	T194 S198 D199	T194-N196 PolarHBondContact O-N 3.06Å; N196-S198 PolarHBondContact ND2-OG 3.45Å; N196-S198 PolarHBondContact O-N 3.12Å; N196-S198 VanDerWaalsContact O-N 3.14Å; N196-S198 PolarHBondContact OD1-N 3.36Å; N196-S198 PolarHBondContact OD1-OG 2.94Å; N196-D199 WeakPolarHBondContact O-CB 3.22Å; N196-D199 PolarHBondContact O-N 3.21Å
197	V	64.5	Low	57.6	Low	121 Å²	121	128 Å²	128	73%	0.733	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-63.1	-19.9	179.8	-66.7	0	0	0	0	112.4	P195 D199 L200	P195-V197 PolarHBondContact O-N 3.27Å; V197-D199 VanDerWaalsContact C-N 3.28Å; V197-D199 PolarHBondContact O-N 2.84Å; V197-L200 WeakPolarHBondContact O-CB 3.25Å; V197-L200 PolarHBondContact O-N 3Å
198	S	65.4	Low	57.4	Low	91 Å²	91	130.1 Å²	130.1	64%	0.636	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-70.8	-18.1	170.4	14.8	0	0	0	0	114.4	N196 L200	N196-S198 PolarHBondContact ND2-OG 3.45Å; N196-S198 PolarHBondContact O-N 3.12Å; N196-S198 VanDerWaalsContact O-N 3.14Å; N196-S198 PolarHBondContact OD1-N 3.36Å; N196-S198 PolarHBondContact OD1-OG 2.94Å; S198-L200 VanDerWaalsContact C-N 3.34Å
199	D	64.1	Low	56.9	Low	126 Å²	126	128.2 Å²	128.2	67%	0.674	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-86.7	-7.3	174.1	-74.5	-36.6	0	0	0	112.8	N196 V197 K201	N196-D199 WeakPolarHBondContact O-CB 3.22Å; N196-D199 PolarHBondContact O-N 3.21Å; V197-D199 VanDerWaalsContact C-N 3.28Å; V197-D199 PolarHBondContact O-N 2.84Å; D199-K201 PolarHBondContact O-N 2.67Å
200	L	61	Low	56.3	Low	100 Å²	100	134.1 Å²	134.1	52%	0.524	69%	0.694	S	S	.	*	S	Bend	trans	-68.6	87.7	164.4	-95.8	75.2	0	0	0	107.9	V197 S198 D202 I204	V197-L200 WeakPolarHBondContact O-CB 3.25Å; V197-L200 PolarHBondContact O-N 3Å; S198-L200 VanDerWaalsContact C-N 3.34Å; L200-D202 PolarHBondContact O-N 3.45Å; L200-I204 HydrophobicContact CD2-CD1 4.05Å; L200-I204 HydrophobicContact CG-CD1 4.47Å
201	K	60.1	Low	55.8	Low	172 Å²	172	136.9 Å²	136.9	75%	0.748	70%	0.699	S	S	*	*			trans	-47	127.1	165.1	-74.4	178.3	178	175.8	0	108	D199 N203	D199-K201 PolarHBondContact O-N 2.67Å; K201-N203 PolarHBondContact O-N 3.48Å
202	D	57.7	Low	54.8	Low	130 Å²	130	133.8 Å²	133.8	70%	0.695	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-54.3	10.8	-172.5	-62.4	-69	0	0	0	116.9	L200 I204 L205	L200-D202 PolarHBondContact O-N 3.45Å; D202-I204 PolarHBondContact O-N 3.17Å; D202-L205 PolarHBondContact O-N 3.09Å
203	N	52.7	Low	53.8	Low	121 Å²	121	139 Å²	139	65%	0.647	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-68.7	-14.6	178.7	-83.6	-36.7	0	0	0	114.1	K201	K201-N203 PolarHBondContact O-N 3.48Å
204	I	54.6	Low	53.7	Low	120 Å²	120	138.5 Å²	138.5	62%	0.615	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-80.9	-29.4	179.9	-59.9	173	0	0	0	111.4	L200 D202 Q206	L200-I204 HydrophobicContact CD2-CD1 4.05Å; L200-I204 HydrophobicContact CG-CD1 4.47Å; D202-I204 PolarHBondContact O-N 3.17Å; I204-Q206 PolarHBondContact O-N 3.12Å
205	L	53.5	Low	53.7	Low	148 Å²	148	139.8 Å²	139.8	78%	0.775	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-11.7	-176.1	-68.9	174.7	0	0	0	114.1	D202	D202-L205 PolarHBondContact O-N 3.09Å
206	Q	51.2	Low	53.5	Low	155 Å²	155	141.2 Å²	141.2	72%	0.724	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-7.4	179.4	-93.7	-179.5	7.6	0	0	115.2	I204	I204-Q206 PolarHBondContact O-N 3.12Å
207	T	48.3	Very low	52.7	Low	105 Å²	105	145.1 Å²	145.1	64%	0.644	74%	0.741	S	S	*	*	S	Bend	trans	-88.8	-17.8	-174.8	-49.9	0	0	0	0	114.5
208	Q	48.3	Very low	52	Low	170 Å²	170	146.6 Å²	146.6	79%	0.794	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-92.4	-5.2	-171.6	-72.2	-163.5	-20.5	0	0	116.5	R210	Q208-R210 VanDerWaalsContact C-N 3.28Å; Q208-R210 PolarHBondContact O-N 3.29Å
209	S	46.5	Very low	51.1	Low	95 Å²	95	150.3 Å²	150.3	66%	0.664	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-85.6	12.9	178.4	39.4	0	0	0	0	114.9
210	R	43.2	Very low	50.2	Low	226 Å²	226	152.1 Å²	152.1	85%	0.853	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-101	12.1	179.1	-78.8	-163.3	178.7	-173	1.3	116.5	Q208 V212	Q208-R210 VanDerWaalsContact C-N 3.28Å; Q208-R210 PolarHBondContact O-N 3.29Å; R210-V212 PolarHBondContact O-N 2.83Å
211	F	45.8	Very low	49.3	Very low	193 Å²	193	156.1 Å²	156.1	85%	0.846	77%	0.771	S	S	*	*			trans	-97.8	73	166.1	-59.9	-79.3	0	0	0	109.3
212	V	38	Very low	48.4	Very low	126 Å²	126	154.8 Å²	154.8	76%	0.764	77%	0.773	S	S	*	*			trans	-114	98.8	163.2	176.4	0	0	0	0	105.8	R210	R210-V212 PolarHBondContact O-N 2.83Å
213	E	41.6	Very low	47.6	Very low	268 Å²	268	157 Å²	157	100%	1.252	78%	0.78	S	S	*	*			trans	-166.9	0	146.4	-108.8	179.9	143.9	0	0	109.5

Retrieved 213 of 213 residues in 80.5 ms (Link to these results)

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