A0AA82N7R8_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7R8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 285 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.4	Very low	36.7	Very low	224 Å²	224	168.5 Å²	168.5	100%	1.103	82%	0.823	S	S	*	*				0	112.4	0	-88	162.5	161	0	0	108.2	Y3	M1-Y3 PolarHBondContact O-N 3.41Å
2	R	33.9	Very low	36.7	Very low	244 Å²	244	165.7 Å²	165.7	92%	0.921	81%	0.813	S	S	*	*			trans	-77.2	111.6	177.8	-74.1	178.1	174.6	171.9	-2.3	108	N4	R2-N4 PolarHBondContact O-N 3.4Å
3	Y	36	Very low	36.8	Very low	205 Å²	205	162.8 Å²	162.8	80%	0.804	80%	0.801	S	S	*	*			trans	-80.4	105.6	171.4	-91	-91.1	0	0	0	108.6	M1 F5	M1-Y3 PolarHBondContact O-N 3.41Å; Y3-F5 PolarHBondContact O-N 3.35Å
4	N	35.3	Very low	36.9	Very low	152 Å²	152	164.5 Å²	164.5	81%	0.813	80%	0.796	S	S	*	*			trans	-70.8	115.9	168.5	-76.9	-30.7	0	0	0	108.3	R2 S6	R2-N4 PolarHBondContact O-N 3.4Å; N4-S6 PolarHBondContact O-N 3.29Å
5	F	36.7	Very low	36.9	Very low	198 Å²	198	163.7 Å²	163.7	87%	0.868	80%	0.796	S	S	*	*			trans	-68.3	115.1	168.7	-81.5	-91.4	0	0	0	108.7	Y3 P7	Y3-F5 PolarHBondContact O-N 3.35Å; F5-P7 WeakPolarHBondContact O-CD 3.45Å
6	S	35	Very low	37	Very low	101 Å²	101	161.7 Å²	161.7	71%	0.706	79%	0.789	S	S	*	*			trans	-78.7	119.4	170.7	-177.4	0	0	0	0	108.9	N4 T8	N4-S6 PolarHBondContact O-N 3.29Å; S6-T8 PolarHBondContact O-N 3.4Å
7	P	43.6	Very low	37	Very low	120 Å²	120	157.7 Å²	157.7	78%	0.779	78%	0.781	S	S	*	*			trans	-98	76.1	-175	36.2	-29.3	0	0	0	110.6	F5	F5-P7 WeakPolarHBondContact O-CD 3.45Å
8	T	35.1	Very low	36.8	Very low	93 Å²	93	155.7 Å²	155.7	57%	0.571	78%	0.778	S	S	*	*			trans	-154.5	68.6	173.1	41.2	0	0	0	0	111.6	S6	S6-T8 PolarHBondContact O-N 3.4Å
9	L	35.3	Very low	36.7	Very low	173 Å²	173	156.2 Å²	156.2	91%	0.906	77%	0.77	S	S	*	*			trans	-110.8	86.1	156.2	-131.8	88.1	0	0	0	109.2	V11	L9-V11 PolarHBondContact O-N 2.97Å
10	W	37	Very low	36.8	Very low	221 Å²	221	154.1 Å²	154.1	84%	0.837	77%	0.769	S	S	*	*			trans	-19	97.1	159.1	-63.9	79.9	0	0	0	113.7	L12	W10-L12 VanDerWaalsContact C-N 3.28Å; W10-L12 PolarHBondContact O-N 3.04Å
11	V	36.1	Very low	37	Very low	122 Å²	122	155.5 Å²	155.5	74%	0.739	77%	0.766	S	S	*	*			trans	-67.4	97.5	158.2	-175.5	0	0	0	0	105.4	L9 I13	L9-V11 PolarHBondContact O-N 2.97Å; V11-I13 HydrophobicContact CB-CG1 4.31Å; V11-I13 HydrophobicContact CG1-CD1 4.38Å; V11-I13 HydrophobicContact CG1-CG1 3.58Å; V11-I13 PolarHBondContact O-N 2.78Å
12	L	36.8	Very low	36.8	Very low	135 Å²	135	152.5 Å²	152.5	71%	0.707	75%	0.747	S	S	*	*			trans	-62.9	80.3	163.1	-92.2	152.2	0	0	0	107.3	W10 Y14	W10-L12 VanDerWaalsContact C-N 3.28Å; W10-L12 PolarHBondContact O-N 3.04Å; L12-Y14 HydrophobicContact CB-CE2 4.37Å; L12-Y14 PolarHBondContact O-N 2.92Å
13	I	37.8	Very low	37.1	Very low	128 Å²	128	149.8 Å²	149.8	66%	0.656	74%	0.737	S	S	*	*			trans	-67.5	94	164.5	-59.2	178.5	0	0	0	104.6	V11 L15	V11-I13 HydrophobicContact CB-CG1 4.31Å; V11-I13 HydrophobicContact CG1-CD1 4.38Å; V11-I13 HydrophobicContact CG1-CG1 3.58Å; V11-I13 PolarHBondContact O-N 2.78Å; I13-L15 HydrophobicContact CG2-CG 4.34Å; I13-L15 PolarHBondContact O-N 2.79Å
14	Y	38.7	Very low	37.4	Very low	187 Å²	187	142.5 Å²	142.5	73%	0.733	71%	0.709	S	S	*	*			trans	-59.9	90.9	159.3	-79	-89.3	0	0	0	106.5	L12 I16	L12-Y14 HydrophobicContact CB-CE2 4.37Å; L12-Y14 PolarHBondContact O-N 2.92Å; Y14-I16 PolarHBondContact O-N 2.8Å
15	L	37.4	Very low	37.8	Very low	152 Å²	152	139.9 Å²	139.9	80%	0.796	70%	0.695	S	S	*	*			trans	-63.2	80.6	155.1	-89.6	155.2	0	0	0	105.5	I13 S17	I13-L15 HydrophobicContact CG2-CG 4.34Å; I13-L15 PolarHBondContact O-N 2.79Å; L15-S17 PolarHBondContact O-N 2.77Å
16	I	37.4	Very low	38.5	Very low	132 Å²	132	132 Å²	132	68%	0.677	66%	0.664	S	S	*	*			trans	-63.3	91	156.1	-61.7	167.1	0	0	0	103.1	Y14 V18	Y14-I16 PolarHBondContact O-N 2.8Å; I16-V18 HydrophobicContact CG2-CG2 4.01Å; I16-V18 PolarHBondContact O-N 2.73Å
17	S	37.4	Very low	39.6	Very low	94 Å²	94	129.3 Å²	129.3	66%	0.657	64%	0.642	S	S	*	*			trans	-56.8	91.8	160.9	33.8	0	0	0	0	105.4	L15 W19	L15-S17 PolarHBondContact O-N 2.77Å; S17-W19 PolarHBondContact O-N 2.83Å
18	V	34	Very low	41.1	Very low	121 Å²	121	125 Å²	125	73%	0.733	61%	0.613	S	S	*	*			trans	-66.7	72.2	162.3	-176.1	0	0	0	0	105.1	I16	I16-V18 HydrophobicContact CG2-CG2 4.01Å; I16-V18 PolarHBondContact O-N 2.73Å
19	W	35.3	Very low	43.4	Very low	166 Å²	166	120.7 Å²	120.7	63%	0.629	59%	0.586	S	S	*	*			trans	-64.3	126.1	159.9	-120.5	15.3	0	0	0	105	S17 Y21 R236	S17-W19 PolarHBondContact O-N 2.83Å; W19-Y21 WeakPolarHBondContact O-CD2 3.2Å; W19-Y21 PolarHBondContact O-N 3.32Å; W19-R236 VanDerWaalsContact CH2-NH1 3.32Å; W19-R236 VanDerWaalsContact CH2-NH2 3.3Å; W19-R236 VanDerWaalsContact CZ3-NH1 3.28Å
20	P	37.8	Very low	45.7	Very low	113 Å²	113	113.7 Å²	113.7	73%	0.734	55%	0.552	S	S	*	*			trans	-69	90.8	-176.9	28.3	-30.8	0	0	0	106.5	K22	P20-K22 PolarHBondContact O-N 3.2Å
21	Y	40.1	Very low	48	Very low	185 Å²	185	111.3 Å²	111.3	73%	0.725	55%	0.547	S	S	*	.			trans	-53.3	104.9	168.6	-79.9	-92	0	0	0	106.3	W19 R23	W19-Y21 WeakPolarHBondContact O-CD2 3.2Å; W19-Y21 PolarHBondContact O-N 3.32Å; Y21-R23 PolarHBondContact O-N 2.69Å
22	K	36.5	Very low	50.3	Low	161 Å²	161	108.3 Å²	108.3	70%	0.7	53%	0.527	S	S	*	.			trans	-69.6	63.4	155.9	-87.3	-171.8	174.8	-176.8	0	107.5	P20 F24	P20-K22 PolarHBondContact O-N 3.2Å; K22-F24 PolarHBondContact O-N 3.37Å
23	R	39.8	Very low	52.3	Low	186 Å²	186	106.1 Å²	106.1	70%	0.702	52%	0.523	S	S	*	.			trans	-71	113.1	163.7	-172.9	177.1	-169.7	177.7	2.5	103.3	Y21 N25	Y21-R23 PolarHBondContact O-N 2.69Å; R23-N25 PolarHBondContact O-N 2.63Å
24	F	42.4	Very low	54.3	Low	52 Å²	52	105.8 Å²	105.8	23%	0.228	52%	0.522	C	S	.	.			trans	-60.6	78.4	170.1	-79.6	-81.8	0	0	0	109.2	K22 D28 L35 Y54 K226	K22-F24 PolarHBondContact O-N 3.37Å; F24-D28 VanDerWaalsContact CA-OD2 3.31Å; F24-D28 WeakPolarHBondContact CA-OD2 3.5Å; F24-D28 HydrophobicContact CD1-CB 4.04Å; F24-D28 WeakPolarHBondContact CD1-OD2 3.48Å; F24-L35 HydrophobicContact CE1-CD1 4.14Å; F24-L35 HydrophobicContact CE1-CD2 4.26Å; F24-Y54 HydrophobicContact CD1-CE2 4.05Å; F24-Y54 HydrophobicContact CE1-CD2 4.48Å; F24-Y54 HydrophobicContact CE1-CE2 4.36Å; F24-K226 WeakPolarHBondContact O-CD 3.38Å; F24-K226 WeakPolarHBondContact O-CE 3.36Å; F24-K226 PolarHBondContact O-NZ 3.31Å
25	N	43.1	Very low	56.4	Low	97 Å²	97	97.6 Å²	97.6	52%	0.519	49%	0.491	S	S	.	.			trans	-64.1	149.1	166.2	-134.8	-19.2	0	0	0	105	R23 N27 D28	R23-N25 PolarHBondContact O-N 2.63Å; N25-N27 PolarHBondContact O-N 2.86Å; N25-D28 PolarHBondContact N-OD1 2.92Å; N25-D28 PolarHBondContact O-N 2.02Å
26	C	52.4	Low	58.5	Low	32 Å²	32	97.8 Å²	97.8	22%	0.216	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-15.2	174.6	-60	0	0	0	0	111.7	Y54 I195 K226	C26-Y54 PolarHBondContact O-OH 3.32Å; C26-I195 VanDerWaalsContact O-CG2 3.27Å; C26-I195 WeakPolarHBondContact O-CG2 3.36Å; C26-K226 PolarHBondContact SG-NZ 2.81Å; C26-K226 VanDerWaalsContact SG-NZ 3.37Å
27	N	57.2	Low	60.6	Low	45 Å²	45	97.9 Å²	97.9	24%	0.241	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	7.5	176.8	-62.5	3.6	0	0	0	115.1	N25 C30 K31 A196	N25-N27 PolarHBondContact O-N 2.86Å; N27-C30 HydrophobicContact CB-CB 4.11Å; N27-C30 WeakPolarHBondContact O-CA 3.02Å; N27-C30 WeakPolarHBondContact O-CB 3.16Å; N27-C30 PolarHBondContact O-N 3.49Å; N27-C30 VanDerWaalsContact O-N 3.07Å; N27-K31 PolarHBondContact O-N 2.83Å; N27-K31 VanDerWaalsContact O-N 3.17Å; N27-A196 PolarHBondContact OD1-O 3.25Å
28	D	75.6	Confident	63	Low	30 Å²	30	96.7 Å²	96.7	16%	0.16	47%	0.465	C	S	.	.	H	α-helix	trans	-64.4	-43	178.1	-86.7	25.5	0	0	0	111.2	F24 N25 C30 K31 N32 L35	F24-D28 VanDerWaalsContact CA-OD2 3.31Å; F24-D28 WeakPolarHBondContact CA-OD2 3.5Å; F24-D28 HydrophobicContact CD1-CB 4.04Å; F24-D28 WeakPolarHBondContact CD1-OD2 3.48Å; N25-D28 PolarHBondContact N-OD1 2.92Å; N25-D28 PolarHBondContact O-N 2.02Å; D28-C30 PolarHBondContact O-N 2.88Å; D28-K31 CarbonylContact O-C 3.48Å; D28-K31 PolarHBondContact O-N 3.17Å; D28-N32 WeakPolarHBondContact O-CB 3.03Å; D28-N32 PolarHBondContact O-N 3.07Å; D28-L35 HydrophobicContact CB-CD1 3.82Å
29	I	82.9	Confident	65.8	Low	2 Å²	2	95.1 Å²	95.1	1%	0.01	45%	0.449	C	S	.	.	H	α-helix	trans	-64.8	-26	172.3	-165.3	166.6	0	0	0	112.2	K31 L35 Y54 I195 R202 H204	I29-K31 VanDerWaalsContact C-N 3.25Å; I29-K31 PolarHBondContact O-N 3.28Å; I29-L35 HydrophobicContact CB-CB 4.26Å; I29-L35 HydrophobicContact CG1-CB 4.07Å; I29-Y54 HydrophobicContact CB-CE1 4.04Å; I29-Y54 HydrophobicContact CB-CE2 4.18Å; I29-Y54 HydrophobicContact CD1-CD1 4.12Å; I29-Y54 HydrophobicContact CD1-CE1 4.29Å; I29-Y54 HydrophobicContact CG2-CE1 3.88Å; I29-I195 HydrophobicContact CG2-CB 4.24Å; I29-I195 HydrophobicContact CG2-CD1 4.42Å; I29-I195 HydrophobicContact CG2-CG1 4.38Å; I29-I195 HydrophobicContact CG2-CG2 4.04Å; I29-R202 HydrophobicContact CG1-CB 4.39Å; I29-R202 HydrophobicContact CG2-CB 4.2Å; I29-H204 HydrophobicContact CD1-CB 3.95Å
30	C	85.1	Confident	68.5	Low	27 Å²	27	89.2 Å²	89.2	18%	0.182	43%	0.43	C	S	.	.	H	α-helix	trans	-68.8	-25.1	173.1	-53.6	0	0	0	0	112.5	N27 D28 C197	N27-C30 HydrophobicContact CB-CB 4.11Å; N27-C30 WeakPolarHBondContact O-CA 3.02Å; N27-C30 WeakPolarHBondContact O-CB 3.16Å; N27-C30 PolarHBondContact O-N 3.49Å; N27-C30 VanDerWaalsContact O-N 3.07Å; D28-C30 PolarHBondContact O-N 2.88Å; C30-C197 HydrophobicContact CB-CB 3.67Å; C30-C197 WeakPolarHBondContact CB-SG 3.4Å; C30-C197 WeakPolarHBondContact SG-CA 3.36Å; C30-C197 WeakPolarHBondContact SG-CB 3.43Å; C30-C197 CovalentContact SG-SG 2.02Å; C30-C197 PolarHBondContact SG-SG 2.89Å
31	K	85	Confident	71.1	Confident	171 Å²	171	85.9 Å²	85.9	74%	0.743	41%	0.407	S	S	*	.	H	α-helix	trans	-103.7	-23.2	-178.8	-68	179.5	-178.6	-178.3	0	113.5	N27 D28 I29	N27-K31 PolarHBondContact O-N 2.83Å; N27-K31 VanDerWaalsContact O-N 3.17Å; D28-K31 CarbonylContact O-C 3.48Å; D28-K31 PolarHBondContact O-N 3.17Å; I29-K31 VanDerWaalsContact C-N 3.25Å; I29-K31 PolarHBondContact O-N 3.28Å
32	N	83.6	Confident	73.7	Confident	58 Å²	58	77.1 Å²	77.1	31%	0.31	37%	0.373	S	S	.	.			trans	-128.3	103.8	-177.2	-174.3	2.7	0	0	0	110	D28 D34 L35	D28-N32 WeakPolarHBondContact O-CB 3.03Å; D28-N32 PolarHBondContact O-N 3.07Å; N32-D34 PolarHBondContact O-N 2.84Å; N32-D34 WeakPolarHBondContact OD1-CB 3.21Å; N32-D34 PolarHBondContact OD1-N 2.92Å; N32-D34 VanDerWaalsContact OD1-N 3.09Å; N32-L35 HydrophobicContact CB-CD1 4.09Å; N32-L35 HydrophobicContact CB-CG 4.17Å; N32-L35 PolarHBondContact O-N 3.31Å
33	S	78.9	Confident	76.4	Confident	89 Å²	89	71 Å²	71	62%	0.622	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-62.4	-26.9	178.1	48	0	0	0	0	113.3	L35 R36	S33-L35 PolarHBondContact O-N 3.42Å; S33-L35 VanDerWaalsContact O-N 3.14Å; S33-R36 WeakPolarHBondContact O-CB 3.27Å; S33-R36 PolarHBondContact O-N 2.8Å
34	D	80.6	Confident	79	Confident	122 Å²	122	65.6 Å²	65.6	65%	0.652	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-66.8	-17.5	-177.2	-56.2	-14.4	0	0	0	111.8	N32 R36	N32-D34 PolarHBondContact O-N 2.84Å; N32-D34 WeakPolarHBondContact OD1-CB 3.21Å; N32-D34 PolarHBondContact OD1-N 2.92Å; N32-D34 VanDerWaalsContact OD1-N 3.09Å; D34-R36 PolarHBondContact O-N 3.01Å
35	L	82.3	Confident	81.5	Confident	15 Å²	15	66.8 Å²	66.8	8%	0.079	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-73.9	-10.4	174.6	-66	177.9	0	0	0	113.5	F24 D28 I29 N32 S33 Y38 Y54 H204	F24-L35 HydrophobicContact CE1-CD1 4.14Å; F24-L35 HydrophobicContact CE1-CD2 4.26Å; D28-L35 HydrophobicContact CB-CD1 3.82Å; I29-L35 HydrophobicContact CB-CB 4.26Å; I29-L35 HydrophobicContact CG1-CB 4.07Å; N32-L35 HydrophobicContact CB-CD1 4.09Å; N32-L35 HydrophobicContact CB-CG 4.17Å; N32-L35 PolarHBondContact O-N 3.31Å; S33-L35 PolarHBondContact O-N 3.42Å; S33-L35 VanDerWaalsContact O-N 3.14Å; L35-Y38 HydrophobicContact CD2-CD2 4.39Å; L35-Y38 HydrophobicContact CD2-CG 4.4Å; L35-Y54 HydrophobicContact CB-CD2 4.21Å; L35-Y54 HydrophobicContact CD1-CD2 4.2Å; L35-Y54 HydrophobicContact CD1-CE2 4.05Å; L35-H204 PolarHBondContact O-CD2 3.37Å
36	R	80.4	Confident	83.9	Confident	156 Å²	156	68.9 Å²	68.9	59%	0.589	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-67.8	-40.2	179.5	-178	-177.5	165.9	-161.2	-5.1	112.6	S33 D34 H204	S33-R36 WeakPolarHBondContact O-CB 3.27Å; S33-R36 PolarHBondContact O-N 2.8Å; D34-R36 PolarHBondContact O-N 3.01Å; R36-H204 PolarHBondContact O-CD2 2.79Å; R36-H204 VanDerWaalsContact O-CD2 3.3Å; R36-H204 PolarHBondContact O-NE2 2.84Å
37	D	82.6	Confident	86	Confident	133 Å²	133	70.2 Å²	70.2	71%	0.711	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-109.8	21.7	-177.9	-54.2	-47	0	0	0	110.9	E39	D37-E39 PolarHBondContact O-N 2.89Å; D37-E39 VanDerWaalsContact O-N 3.1Å
38	Y	86.7	Confident	87.9	Confident	70 Å²	70	69.7 Å²	69.7	28%	0.275	35%	0.352	S	S	.	.			trans	-69.6	109.6	-176.8	175.4	-92.6	0	0	0	110.3	L35 I40 H53	L35-Y38 HydrophobicContact CD2-CD2 4.39Å; L35-Y38 HydrophobicContact CD2-CG 4.4Å; Y38-I40 HydrophobicContact CE1-CG1 4.43Å; Y38-I40 HydrophobicContact CE2-CD1 3.76Å; Y38-I40 HydrophobicContact CE2-CG1 3.98Å; Y38-I40 WeakPolarHBondContact OH-CD1 3.44Å; Y38-H53 WeakPolarHBondContact O-CA 3.38Å
39	E	92.9	Very high	88.9	Confident	87 Å²	87	69.8 Å²	69.8	41%	0.407	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	132.1	170.6	174.9	172.6	-137	0	0	109.9	D37 V41 R49 L52 H53	D37-E39 PolarHBondContact O-N 2.89Å; D37-E39 VanDerWaalsContact O-N 3.1Å; E39-V41 HydrophobicContact CG-CG2 4.16Å; E39-R49 IonicContact OE1-CZ 3.03Å; E39-R49 IonicContact OE1-NE 3.23Å; E39-R49 IonicContact OE1-NH2 3.55Å; E39-R49 PolarHBondContact OE1-NH2 3.4Å; E39-R49 IonicContact OE2-NH2 3.62Å; E39-R49 PolarHBondContact OE2-NH2 2.97Å; E39-L52 CarbonylContact C-O 3.52Å; E39-L52 WeakPolarHBondContact CA-O 3.48Å; E39-H53 IonicContact OE1-CE1 3.68Å; E39-H53 PolarHBondContact OE1-CE1 3.14Å; E39-H53 VanDerWaalsContact OE1-CE1 3.23Å; E39-H53 IonicContact OE1-NE2 3.88Å
40	I	92.2	Very high	89.5	Confident	42 Å²	42	69.7 Å²	69.7	22%	0.215	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	111.3	169.5	-58.7	-172.5	0	0	0	108.9	Y38 I42 S51 L52 G253	Y38-I40 HydrophobicContact CE1-CG1 4.43Å; Y38-I40 HydrophobicContact CE2-CD1 3.76Å; Y38-I40 HydrophobicContact CE2-CG1 3.98Å; Y38-I40 WeakPolarHBondContact OH-CD1 3.44Å; I40-I42 HydrophobicContact CG2-CD1 3.84Å; I40-I42 PolarHBondContact O-N 3.34Å; I40-S51 CarbonylContact O-C 3.44Å; I40-S51 WeakPolarHBondContact O-CA 3.33Å; I40-L52 HydrophobicContact CB-CB 4.43Å; I40-L52 PolarHBondContact N-O 3.31Å; I40-L52 PolarHBondContact O-N 3.48Å; I40-G253 VanDerWaalsContact CG2-CA 3.47Å
41	V	94.1	Very high	90.1	Very high	43 Å²	43	68.4 Å²	68.4	26%	0.261	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	112.1	174.9	-175.8	0	0	0	0	109.9	E39 E44 R49 K252	E39-V41 HydrophobicContact CG-CG2 4.16Å; V41-E44 HydrophobicContact CG1-CB 3.99Å; V41-R49 HydrophobicContact CG1-CG 4.41Å; V41-R49 VanDerWaalsContact CG2-NH2 3.26Å; V41-K252 WeakPolarHBondContact O-CE 3.48Å
42	I	93.4	Very high	90.5	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-51.2	179.3	-50.5	-60.2	0	0	0	109.6	I40 Y50 L52 C250 K252 G253 D271	I40-I42 HydrophobicContact CG2-CD1 3.84Å; I40-I42 PolarHBondContact O-N 3.34Å; I42-Y50 HydrophobicContact CB-CD1 3.93Å; I42-Y50 HydrophobicContact CG1-CD1 3.83Å; I42-Y50 HydrophobicContact CG1-CE1 4.17Å; I42-Y50 HydrophobicContact CG2-CD1 4.47Å; I42-Y50 PolarHBondContact N-O 3.13Å; I42-L52 HydrophobicContact CD1-CD1 3.96Å; I42-L52 HydrophobicContact CD1-CG 4.11Å; I42-L52 HydrophobicContact CG1-CD1 4.39Å; I42-L52 HydrophobicContact CG1-CG 4.08Å; I42-C250 HydrophobicContact CD1-CB 4.15Å; I42-K252 WeakPolarHBondContact O-CD 3.34Å; I42-K252 WeakPolarHBondContact O-CE 3.42Å; I42-K252 PolarHBondContact O-NZ 2.8Å; I42-G253 VanDerWaalsContact CD1-CA 3.42Å; I42-D271 WeakPolarHBondContact CG2-O 3.4Å
43	I	93.3	Very high	91	Very high	33 Å²	33	58.1 Å²	58.1	17%	0.169	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	143.1	177.8	-177.2	162.7	0	0	0	110.2	Y48 R49 Y50 V274	I43-Y48 HydrophobicContact CG2-CD1 3.9Å; I43-Y48 HydrophobicContact CG2-CE1 3.83Å; I43-R49 CarbonylContact O-C 3.55Å; I43-R49 VanDerWaalsContact O-CA 3.3Å; I43-R49 WeakPolarHBondContact O-CA 3.19Å; I43-Y50 PolarHBondContact N-O 3.1Å; I43-Y50 PolarHBondContact O-N 3Å; I43-V274 HydrophobicContact CB-CG2 3.84Å; I43-V274 HydrophobicContact CD1-CG1 3.98Å; I43-V274 HydrophobicContact CD1-CG2 3.73Å; I43-V274 HydrophobicContact CG1-CG2 4.22Å; I43-V274 HydrophobicContact CG2-CG2 4.45Å
44	E	94.7	Very high	91.6	Very high	73 Å²	73	54.1 Å²	54.1	34%	0.341	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	136	170.5	178.4	161.6	139.9	0	0	109.8	V41 Y48 R49 K211 W212	V41-E44 HydrophobicContact CG1-CB 3.99Å; E44-Y48 CarbonylContact C-O 3.58Å; E44-Y48 WeakPolarHBondContact CA-O 3.36Å; E44-R49 HydrophobicContact CB-CG 4.39Å; E44-R49 IonicContact OE1-NH1 3.57Å; E44-R49 WeakPolarHBondContact OE2-CD 3.38Å; E44-R49 IonicContact OE2-CZ 3.67Å; E44-R49 VanDerWaalsContact OE2-CZ 3.23Å; E44-R49 IonicContact OE2-NE 3.23Å; E44-R49 PolarHBondContact OE2-NE 3.11Å; E44-R49 IonicContact OE2-NH1 3.16Å; E44-R49 PolarHBondContact OE2-NH1 3.29Å; E44-K211 IonicContact OE1-NZ 2.64Å; E44-K211 PolarHBondContact OE1-NZ 3.07Å; E44-W212 HydrophobicContact CG-CZ2 4.18Å
45	N	94.6	Very high	92.1	Very high	76 Å²	76	49 Å²	49	41%	0.406	24%	0.238	S	C	.	.			trans	-144	-166.4	164.5	63.4	42	0	0	0	108.7	T47 Y48 W212	N45-T47 PolarHBondContact O-N 2.83Å; N45-T47 PolarHBondContact OD1-N 3.43Å; N45-T47 PolarHBondContact OD1-OG1 2.82Å; N45-Y48 PolarHBondContact N-O 2.86Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.5Å; N45-Y48 PolarHBondContact OD1-N 2.92Å; N45-W212 WeakPolarHBondContact O-CH2 3.45Å
46	D	94.3	Very high	92.7	Very high	141 Å²	141	48.4 Å²	48.4	75%	0.754	24%	0.235	S	C	*	.	S	Bend	trans	-69.9	-17.1	-175.6	-66.8	-29	0	0	0	115.2	R62	D46-R62 WeakPolarHBondContact O-CD 3.09Å; D46-R62 PolarHBondContact O-NH1 2.81Å; D46-R62 VanDerWaalsContact O-NH1 3.13Å
47	T	96.2	Very high	93.4	Very high	60 Å²	60	41.2 Å²	41.2	37%	0.368	21%	0.208	S	C	.	.	S	Bend	trans	-124.8	-9.3	-173.7	61.2	0	0	0	0	114	N45 R62	N45-T47 PolarHBondContact O-N 2.83Å; N45-T47 PolarHBondContact OD1-N 3.43Å; N45-T47 PolarHBondContact OD1-OG1 2.82Å; T47-R62 HydrophobicContact CG2-CB 4.45Å; T47-R62 PolarHBondContact O-N 2.96Å
48	Y	96.4	Very high	94.1	Very high	35 Å²	35	35 Å²	35	14%	0.137	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137.3	-172.5	-162.1	-94.3	0	0	0	111.8	I43 E44 N45 R59 I60 Q61 D271	I43-Y48 HydrophobicContact CG2-CD1 3.9Å; I43-Y48 HydrophobicContact CG2-CE1 3.83Å; E44-Y48 CarbonylContact C-O 3.58Å; E44-Y48 WeakPolarHBondContact CA-O 3.36Å; N45-Y48 PolarHBondContact N-O 2.86Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.5Å; N45-Y48 PolarHBondContact OD1-N 2.92Å; Y48-R59 HydrophobicContact CE2-CG 4.13Å; Y48-R59 WeakPolarHBondContact OH-CD 3.49Å; Y48-R59 WeakPolarHBondContact OH-CG 3.21Å; Y48-R59 PolarHBondContact OH-NE 3.13Å; Y48-R59 VanDerWaalsContact OH-NE 3.11Å; Y48-I60 CarbonylContact C-O 3.57Å; Y48-I60 WeakPolarHBondContact CA-O 3.44Å; Y48-Q61 HydrophobicContact CD2-CG 3.83Å; Y48-Q61 HydrophobicContact CE2-CG 3.55Å; Y48-D271 WeakPolarHBondContact CE1-OD1 3.46Å; Y48-D271 VanDerWaalsContact CZ-OD1 3.27Å; Y48-D271 VanDerWaalsContact OH-CG 3.24Å; Y48-D271 PolarHBondContact OH-OD1 3.26Å; Y48-D271 PolarHBondContact OH-OD2 2.91Å
49	R	96.8	Very high	94.6	Very high	31 Å²	31	31.9 Å²	31.9	12%	0.117	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	136.3	167.7	-177.7	-180	176.4	133.4	-8.3	109.8	E39 V41 I43 E44 R59 I60 W212	E39-R49 IonicContact OE1-CZ 3.03Å; E39-R49 IonicContact OE1-NE 3.23Å; E39-R49 IonicContact OE1-NH2 3.55Å; E39-R49 PolarHBondContact OE1-NH2 3.4Å; E39-R49 IonicContact OE2-NH2 3.62Å; E39-R49 PolarHBondContact OE2-NH2 2.97Å; V41-R49 HydrophobicContact CG1-CG 4.41Å; V41-R49 VanDerWaalsContact CG2-NH2 3.26Å; I43-R49 CarbonylContact O-C 3.55Å; I43-R49 VanDerWaalsContact O-CA 3.3Å; I43-R49 WeakPolarHBondContact O-CA 3.19Å; E44-R49 HydrophobicContact CB-CG 4.39Å; E44-R49 IonicContact OE1-NH1 3.57Å; E44-R49 WeakPolarHBondContact OE2-CD 3.38Å; E44-R49 IonicContact OE2-CZ 3.67Å; E44-R49 VanDerWaalsContact OE2-CZ 3.23Å; E44-R49 IonicContact OE2-NE 3.23Å; E44-R49 PolarHBondContact OE2-NE 3.11Å; E44-R49 IonicContact OE2-NH1 3.16Å; E44-R49 PolarHBondContact OE2-NH1 3.29Å; R49-R59 CarbonylContact O-C 3.55Å; R49-R59 WeakPolarHBondContact O-CA 3.34Å; R49-I60 HydrophobicContact CB-CB 4.17Å; R49-I60 HydrophobicContact CB-CD1 4.43Å; R49-I60 HydrophobicContact CB-CG1 4.44Å; R49-I60 PolarHBondContact N-O 3.1Å; R49-I60 PolarHBondContact O-N 3.41Å; R49-W212 HydrophobicContact CB-CH2 4.11Å; R49-W212 HydrophobicContact CB-CZ2 3.67Å
50	Y	96.5	Very high	94.9	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.2	167.7	-176.3	-111	0	0	0	109.8	I42 I43 L52 S57 M58 R59 I257 D271	I42-Y50 HydrophobicContact CB-CD1 3.93Å; I42-Y50 HydrophobicContact CG1-CD1 3.83Å; I42-Y50 HydrophobicContact CG1-CE1 4.17Å; I42-Y50 HydrophobicContact CG2-CD1 4.47Å; I42-Y50 PolarHBondContact N-O 3.13Å; I43-Y50 PolarHBondContact N-O 3.1Å; I43-Y50 PolarHBondContact O-N 3Å; Y50-L52 HydrophobicContact CE1-CD2 3.86Å; Y50-S57 WeakPolarHBondContact OH-CB 3.39Å; Y50-S57 PolarHBondContact OH-OG 3.19Å; Y50-M58 WeakPolarHBondContact CA-O 3.5Å; Y50-R59 HydrophobicContact CD2-CB 3.99Å; Y50-R59 HydrophobicContact CD2-CG 4.39Å; Y50-I257 HydrophobicContact CE1-CD1 4.49Å; Y50-I257 WeakPolarHBondContact OH-CD1 3.17Å; Y50-D271 HydrophobicContact CD1-CB 3.61Å; Y50-D271 HydrophobicContact CD2-CB 4.41Å; Y50-D271 HydrophobicContact CE1-CB 3.89Å; Y50-D271 HydrophobicContact CG-CB 3.89Å
51	S	96.1	Very high	95.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	150.9	-174.9	51.2	0	0	0	0	111.5	I40 H53 S57 M58	I40-S51 CarbonylContact O-C 3.44Å; I40-S51 WeakPolarHBondContact O-CA 3.33Å; S51-H53 PolarHBondContact OG-NE2 2.78Å; S51-S57 CarbonylContact O-C 3.52Å; S51-S57 VanDerWaalsContact O-CA 3.31Å; S51-S57 WeakPolarHBondContact O-CA 3.4Å; S51-M58 PolarHBondContact N-O 3.17Å; S51-M58 PolarHBondContact O-N 2.83Å; S51-M58 WeakPolarHBondContact OG-CE 3.41Å; S51-M58 PolarHBondContact OG-O 2.82Å
52	L	94.2	Very high	95.3	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.016	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.5	175.8	-52	179.7	0	0	0	109.2	E39 I40 I42 Y50 I224 A255 I257	E39-L52 CarbonylContact C-O 3.52Å; E39-L52 WeakPolarHBondContact CA-O 3.48Å; I40-L52 HydrophobicContact CB-CB 4.43Å; I40-L52 PolarHBondContact N-O 3.31Å; I40-L52 PolarHBondContact O-N 3.48Å; I42-L52 HydrophobicContact CD1-CD1 3.96Å; I42-L52 HydrophobicContact CD1-CG 4.11Å; I42-L52 HydrophobicContact CG1-CD1 4.39Å; I42-L52 HydrophobicContact CG1-CG 4.08Å; Y50-L52 HydrophobicContact CE1-CD2 3.86Å; L52-I224 HydrophobicContact CB-CD1 4.15Å; L52-I224 HydrophobicContact CD2-CD1 3.89Å; L52-A255 HydrophobicContact CD1-CB 3.67Å; L52-I257 HydrophobicContact CD1-CG2 4.1Å; L52-I257 HydrophobicContact CD2-CG2 4.05Å
53	H	93.8	Very high	95.4	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.046	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	176.9	-179.3	-60.7	-94.2	0	0	0	109.5	Y38 E39 S51 N55 Y56 I206	Y38-H53 WeakPolarHBondContact O-CA 3.38Å; E39-H53 IonicContact OE1-CE1 3.68Å; E39-H53 PolarHBondContact OE1-CE1 3.14Å; E39-H53 VanDerWaalsContact OE1-CE1 3.23Å; E39-H53 IonicContact OE1-NE2 3.88Å; S51-H53 PolarHBondContact OG-NE2 2.78Å; H53-N55 PolarHBondContact O-N 3.3Å; H53-Y56 CarbonylContact C-O 3.57Å; H53-Y56 WeakPolarHBondContact CA-O 3.21Å; H53-Y56 WeakPolarHBondContact CB-O 3.3Å; H53-Y56 PolarHBondContact N-O 3.48Å; H53-Y56 PolarHBondContact O-N 3.39Å; H53-Y56 VanDerWaalsContact O-O 3.14Å; H53-I206 HydrophobicContact CB-CD1 3.46Å; H53-I206 VanDerWaalsContact CB-CD1 3.46Å; H53-I206 HydrophobicContact CB-CG1 3.8Å; H53-I206 HydrophobicContact CB-CG2 4.47Å
54	Y	90.9	Very high	95.5	Very high	4 Å²	4	36 Å²	36	2%	0.016	18%	0.175	C	C	.	.	S	Bend	trans	-61.5	122.5	173.1	-177.2	-109.4	0	0	0	110.4	F24 C26 I29 L35 Y56 Y92 H204	F24-Y54 HydrophobicContact CD1-CE2 4.05Å; F24-Y54 HydrophobicContact CE1-CD2 4.48Å; F24-Y54 HydrophobicContact CE1-CE2 4.36Å; C26-Y54 PolarHBondContact O-OH 3.32Å; I29-Y54 HydrophobicContact CB-CE1 4.04Å; I29-Y54 HydrophobicContact CB-CE2 4.18Å; I29-Y54 HydrophobicContact CD1-CD1 4.12Å; I29-Y54 HydrophobicContact CD1-CE1 4.29Å; I29-Y54 HydrophobicContact CG2-CE1 3.88Å; L35-Y54 HydrophobicContact CB-CD2 4.21Å; L35-Y54 HydrophobicContact CD1-CD2 4.2Å; L35-Y54 HydrophobicContact CD1-CE2 4.05Å; Y54-Y56 PolarHBondContact O-N 3.37Å; Y54-Y92 HydrophobicContact CD1-CD1 4.29Å; Y54-Y92 HydrophobicContact CD1-CE1 4.34Å; Y54-H204 VanDerWaalsContact CB-NE2 3.27Å; Y54-H204 WeakPolarHBondContact CB-NE2 3.31Å
55	N	91.8	Very high	95.4	Very high	16 Å²	16	37.4 Å²	37.4	9%	0.086	19%	0.193	C	C	.	.	S	Bend	trans	61.3	-10.4	-176.4	-69.4	-21.3	0	0	0	117.4	H53 V223 I224	H53-N55 PolarHBondContact O-N 3.3Å; N55-V223 CarbonylContact O-C 3.55Å; N55-V223 WeakPolarHBondContact O-CA 3.35Å; N55-I224 PolarHBondContact O-N 3.09Å
56	Y	95.2	Very high	95	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.1	-173.3	-70.6	-88.5	0	0	0	112.3	H53 Y54 Y91 Y92 M171 I191 I206 F221 E222 V223 I224	H53-Y56 CarbonylContact C-O 3.57Å; H53-Y56 WeakPolarHBondContact CA-O 3.21Å; H53-Y56 WeakPolarHBondContact CB-O 3.3Å; H53-Y56 PolarHBondContact N-O 3.48Å; H53-Y56 PolarHBondContact O-N 3.39Å; H53-Y56 VanDerWaalsContact O-O 3.14Å; Y54-Y56 PolarHBondContact O-N 3.37Å; Y56-Y91 WeakPolarHBondContact OH-CA 3.14Å; Y56-Y92 HydrophobicContact CD2-CD1 4.47Å; Y56-Y92 HydrophobicContact CD2-CE1 4.06Å; Y56-Y92 HydrophobicContact CD2-CE2 4.23Å; Y56-Y92 AromaticContact CD2-CZ 3.94Å; Y56-Y92 HydrophobicContact CE2-CD1 4Å; Y56-Y92 AromaticContact CE2-CD2 3.64Å; Y56-Y92 HydrophobicContact CE2-CD2 3.64Å; Y56-Y92 AromaticContact CE2-CE1 3.95Å; Y56-Y92 HydrophobicContact CE2-CE1 3.95Å; Y56-Y92 AromaticContact CE2-CE2 3.63Å; Y56-Y92 HydrophobicContact CE2-CE2 3.63Å; Y56-Y92 AromaticContact CE2-CG 3.85Å; Y56-Y92 HydrophobicContact CE2-CG 3.85Å; Y56-Y92 AromaticContact CE2-CZ 3.77Å; Y56-Y92 PolarHBondContact OH-N 3.5Å; Y56-M171 HydrophobicContact CD1-CE 4.08Å; Y56-M171 HydrophobicContact CE1-CE 3.41Å; Y56-M171 VanDerWaalsContact CE1-CE 3.41Å; Y56-I191 HydrophobicContact CD1-CD1 4.09Å; Y56-I191 HydrophobicContact CD2-CD1 4.02Å; Y56-I191 HydrophobicContact CE1-CD1 4.36Å; Y56-I191 HydrophobicContact CE2-CD1 4.3Å; Y56-I191 HydrophobicContact CG-CD1 3.92Å; Y56-I206 HydrophobicContact CD2-CD1 4.2Å; Y56-I206 HydrophobicContact CG-CD1 4.25Å; Y56-F221 HydrophobicContact CD1-CB 4.25Å; Y56-E222 CarbonylContact C-O 3.59Å; Y56-E222 WeakPolarHBondContact CA-O 3.38Å; Y56-V223 HydrophobicContact CD1-CG2 4.21Å; Y56-V223 HydrophobicContact CE1-CG2 3.57Å; Y56-I224 VanDerWaalsContact C-CD1 3.41Å; Y56-I224 VanDerWaalsContact O-CD1 3.32Å; Y56-I224 WeakPolarHBondContact O-CD1 3.42Å
57	S	95.3	Very high	94.4	Very high	5 Å²	5	32.7 Å²	32.7	4%	0.035	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	150.1	158.1	64.2	0	0	0	0	109.1	Y50 S51 F221 E222	Y50-S57 WeakPolarHBondContact OH-CB 3.39Å; Y50-S57 PolarHBondContact OH-OG 3.19Å; S51-S57 CarbonylContact O-C 3.52Å; S51-S57 VanDerWaalsContact O-CA 3.31Å; S51-S57 WeakPolarHBondContact O-CA 3.4Å; S57-F221 VanDerWaalsContact O-CA 3.32Å; S57-F221 WeakPolarHBondContact O-CA 3.35Å; S57-E222 PolarHBondContact N-O 3.26Å; S57-E222 PolarHBondContact O-N 3.34Å
58	M	97.6	Very high	93.4	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	121.7	173.8	179.5	-179.9	63	0	0	109	Y50 S51 I60 I206 V208 V219 E220 F221	Y50-M58 WeakPolarHBondContact CA-O 3.5Å; S51-M58 PolarHBondContact N-O 3.17Å; S51-M58 PolarHBondContact O-N 2.83Å; S51-M58 WeakPolarHBondContact OG-CE 3.41Å; S51-M58 PolarHBondContact OG-O 2.82Å; M58-I60 HydrophobicContact CE-CD1 4.02Å; M58-I60 HydrophobicContact CE-CG1 4.5Å; M58-I60 HydrophobicContact CG-CG1 4.18Å; M58-I60 HydrophobicContact SD-CD1 4.14Å; M58-I60 HydrophobicContact SD-CG1 4.31Å; M58-I206 HydrophobicContact SD-CG2 4.16Å; M58-V208 HydrophobicContact SD-CG2 4.19Å; M58-V219 HydrophobicContact CG-CG1 3.94Å; M58-V219 HydrophobicContact SD-CG1 4.13Å; M58-E220 WeakPolarHBondContact CA-O 3.36Å; M58-F221 HydrophobicContact CB-CD1 3.99Å; M58-F221 HydrophobicContact CB-CE1 3.98Å; M58-F221 HydrophobicContact CG-CD1 4.04Å; M58-F221 HydrophobicContact CG-CE1 3.67Å; M58-F221 HydrophobicContact CG-CZ 4.32Å; M58-F221 HydrophobicContact SD-CD1 4.49Å; M58-F221 HydrophobicContact SD-CE1 3.57Å; M58-F221 VanDerWaalsContact SD-CE1 3.57Å; M58-F221 HydrophobicContact SD-CZ 3.98Å
59	R	97.1	Very high	92.7	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.019	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.1	170.8	-171.2	-175.8	-67.3	112.6	3.9	109.5	Y48 R49 Y50 Q61 V219 E220 D271	Y48-R59 HydrophobicContact CE2-CG 4.13Å; Y48-R59 WeakPolarHBondContact OH-CD 3.49Å; Y48-R59 WeakPolarHBondContact OH-CG 3.21Å; Y48-R59 PolarHBondContact OH-NE 3.13Å; Y48-R59 VanDerWaalsContact OH-NE 3.11Å; R49-R59 CarbonylContact O-C 3.55Å; R49-R59 WeakPolarHBondContact O-CA 3.34Å; Y50-R59 HydrophobicContact CD2-CB 3.99Å; Y50-R59 HydrophobicContact CD2-CG 4.39Å; R59-Q61 HydrophobicContact CG-CG 3.99Å; R59-V219 CarbonylContact O-C 3.59Å; R59-V219 WeakPolarHBondContact O-CA 3.4Å; R59-E220 PolarHBondContact N-O 3.03Å; R59-E220 IonicContact NH1-OE2 2.6Å; R59-E220 PolarHBondContact NH1-OE2 3.4Å; R59-E220 PolarHBondContact O-N 2.71Å; R59-D271 IonicContact CZ-OD2 3.87Å; R59-D271 VanDerWaalsContact CZ-OD2 3.3Å; R59-D271 IonicContact NE-OD2 2.68Å; R59-D271 PolarHBondContact NE-OD2 2.88Å; R59-D271 IonicContact NH2-OD2 3.39Å; R59-D271 PolarHBondContact NH2-OD2 3.5Å
60	I	98.2	Very high	91.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.3	174.2	-51.8	-178.8	0	0	0	108.2	Y48 R49 M58 V208 W212 T217 L218 V219	Y48-I60 CarbonylContact C-O 3.57Å; Y48-I60 WeakPolarHBondContact CA-O 3.44Å; R49-I60 HydrophobicContact CB-CB 4.17Å; R49-I60 HydrophobicContact CB-CD1 4.43Å; R49-I60 HydrophobicContact CB-CG1 4.44Å; R49-I60 PolarHBondContact N-O 3.1Å; R49-I60 PolarHBondContact O-N 3.41Å; M58-I60 HydrophobicContact CE-CD1 4.02Å; M58-I60 HydrophobicContact CE-CG1 4.5Å; M58-I60 HydrophobicContact CG-CG1 4.18Å; M58-I60 HydrophobicContact SD-CD1 4.14Å; M58-I60 HydrophobicContact SD-CG1 4.31Å; I60-V208 HydrophobicContact CD1-CG1 4.18Å; I60-W212 HydrophobicContact CB-CD2 4.46Å; I60-W212 HydrophobicContact CB-CE3 4.42Å; I60-W212 HydrophobicContact CD1-CB 4.13Å; I60-W212 HydrophobicContact CD1-CD2 4.1Å; I60-W212 HydrophobicContact CD1-CG 3.72Å; I60-W212 HydrophobicContact CG2-CB 4.07Å; I60-W212 HydrophobicContact CG2-CD2 3.76Å; I60-W212 HydrophobicContact CG2-CE3 3.51Å; I60-W212 HydrophobicContact CG2-CG 4.02Å; I60-W212 HydrophobicContact CG2-CZ3 4.13Å; I60-T217 HydrophobicContact CG2-CG2 3.48Å; I60-T217 VanDerWaalsContact CG2-CG2 3.48Å; I60-L218 WeakPolarHBondContact CA-O 3.42Å; I60-V219 HydrophobicContact CG1-CG1 4.3Å; I60-V219 HydrophobicContact CG1-CG2 4.19Å; I60-V219 HydrophobicContact CG2-CG2 4.28Å
61	Q	97.6	Very high	90.8	Very high	32 Å²	32	42.7 Å²	42.7	15%	0.15	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.4	179.8	-56	-172.5	76.4	0	0	109.5	Y48 R59 Q64 T217 L218	Y48-Q61 HydrophobicContact CD2-CG 3.83Å; Y48-Q61 HydrophobicContact CE2-CG 3.55Å; R59-Q61 HydrophobicContact CG-CG 3.99Å; Q61-Q64 HydrophobicContact CB-CG 3.61Å; Q61-Q64 WeakPolarHBondContact O-CG 3.39Å; Q61-T217 CarbonylContact O-C 3.58Å; Q61-T217 WeakPolarHBondContact O-CA 3.27Å; Q61-L218 PolarHBondContact N-O 2.81Å; Q61-L218 PolarHBondContact O-N 2.82Å
62	R	97.4	Very high	90.3	Very high	60 Å²	60	46.1 Å²	46.1	23%	0.226	26%	0.262	C	S	.	.	S	Bend	trans	-90.7	164.7	173	-65.2	-172	63.2	-146.4	-7.5	111.3	D46 T47 Q64 W212 G216 T217	D46-R62 WeakPolarHBondContact O-CD 3.09Å; D46-R62 PolarHBondContact O-NH1 2.81Å; D46-R62 VanDerWaalsContact O-NH1 3.13Å; T47-R62 HydrophobicContact CG2-CB 4.45Å; T47-R62 PolarHBondContact O-N 2.96Å; R62-Q64 PolarHBondContact O-N 3.37Å; R62-Q64 PolarHBondContact O-NE2 3.28Å; R62-W212 HydrophobicContact CG-CE3 4Å; R62-W212 HydrophobicContact CG-CZ3 3.88Å; R62-G216 CarbonylContact C-O 3.3Å; R62-T217 HydrophobicContact CG-CG2 4.37Å
63	H	96	Very high	90.3	Very high	133 Å²	133	47.7 Å²	47.7	62%	0.616	27%	0.269	S	S	*	.	S	Bend	trans	59.2	33.6	178.3	-48.5	-67.9	0	0	0	112.8	G216	H63-G216 PolarHBondContact N-O 3.32Å
64	Q	95.8	Very high	90.3	Very high	67 Å²	67	53.8 Å²	53.8	31%	0.313	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-86.4	145.8	175.3	-59.2	-53.4	-60.5	0	0	109.8	Q61 R62 Y174 G216 L218	Q61-Q64 HydrophobicContact CB-CG 3.61Å; Q61-Q64 WeakPolarHBondContact O-CG 3.39Å; R62-Q64 PolarHBondContact O-N 3.37Å; R62-Q64 PolarHBondContact O-NE2 3.28Å; Q64-Y174 HydrophobicContact CB-CE2 4.42Å; Q64-Y174 PolarHBondContact O-OH 3.39Å; Q64-G216 PolarHBondContact N-O 3.01Å; Q64-L218 HydrophobicContact CB-CB 4.03Å; Q64-L218 HydrophobicContact CG-CB 3.9Å
65	S	92.2	Very high	90.4	Very high	103 Å²	103	59.6 Å²	59.6	72%	0.72	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-73.9	163.3	167.2	-61	0	0	0	0	109.9
66	Q	85.1	Confident	90.3	Very high	87 Å²	87	59.3 Å²	59.3	41%	0.407	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-55.7	136.5	171.7	-169.7	-178	-14.3	0	0	109.4	N68 Y174	Q66-N68 PolarHBondContact O-N 2.73Å; Q66-Y174 HydrophobicContact CB-CE1 3.85Å; Q66-Y174 HydrophobicContact CG-CD1 4.2Å; Q66-Y174 HydrophobicContact CG-CE1 3.91Å; Q66-Y174 PolarHBondContact N-OH 3.2Å
67	P	81.9	Confident	89.8	Confident	30 Å²	30	65.5 Å²	65.5	20%	0.195	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-52.7	136.8	175.7	-26.2	33.7	0	0	0	110.7	L69 L164 Y174 L218	P67-L69 HydrophobicContact CB-CD2 4.45Å; P67-L69 WeakPolarHBondContact O-CG 3.32Å; P67-L69 PolarHBondContact O-N 2.87Å; P67-L164 HydrophobicContact CB-CD1 3.88Å; P67-L164 HydrophobicContact CG-CD1 4.1Å; P67-Y174 HydrophobicContact CG-CG 4.21Å; P67-L218 HydrophobicContact CG-CD1 4.33Å
68	N	75.9	Confident	89.5	Confident	169 Å²	169	72.9 Å²	72.9	90%	0.904	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-67.5	123.2	172.8	-75.9	-19.7	0	0	0	109	Q66	Q66-N68 PolarHBondContact O-N 2.73Å
69	L	80.2	Confident	89.2	Confident	43 Å²	43	77.6 Å²	77.6	23%	0.225	42%	0.419	C	S	.	.			trans	-110.3	127.4	-176.6	-56	171.8	0	0	0	109.7	P67 G71 F73 L136 L141 L164	P67-L69 HydrophobicContact CB-CD2 4.45Å; P67-L69 WeakPolarHBondContact O-CG 3.32Å; P67-L69 PolarHBondContact O-N 2.87Å; L69-G71 VanDerWaalsContact C-N 3.27Å; L69-G71 PolarHBondContact O-N 3.13Å; L69-F73 HydrophobicContact CD1-CD2 3.98Å; L69-F73 HydrophobicContact CD1-CE2 3.27Å; L69-F73 HydrophobicContact CD1-CZ 4.07Å; L69-L136 HydrophobicContact CB-CD2 4.45Å; L69-L136 HydrophobicContact CD2-CD2 4.1Å; L69-L141 HydrophobicContact CD2-CD2 3.75Å; L69-L164 HydrophobicContact CD2-CD1 3.6Å; L69-L164 HydrophobicContact CD2-CD2 3.83Å; L69-L164 HydrophobicContact CD2-CG 4.38Å
70	S	74.3	Confident	89.1	Confident	85 Å²	85	81 Å²	81	59%	0.594	44%	0.437	S	S	*	.	S	Bend	trans	-86.8	64.3	171.5	64.8	0	0	0	0	110.3
71	G	80	Confident	89	Confident	40 Å²	40	84.9 Å²	84.9	41%	0.412	45%	0.452	S	S	.	.	S	Bend	trans	164.2	-179.3	-179.4	0	0	0	0	0	112.5	L69	L69-G71 VanDerWaalsContact C-N 3.27Å; L69-G71 PolarHBondContact O-N 3.13Å
72	S	85.6	Confident	89	Confident	73 Å²	73	85.5 Å²	85.5	51%	0.51	46%	0.463	S	S	.	.			trans	-120.7	135	177.7	60.9	0	0	0	0	111.2
73	F	93.4	Very high	88.9	Confident	35 Å²	35	82.7 Å²	82.7	15%	0.154	45%	0.452	C	S	.	.			trans	-65.4	139.4	169.7	-81.2	-71.5	0	0	0	110.3	L69 E134 I135 L136 K145 T162 L164	L69-F73 HydrophobicContact CD1-CD2 3.98Å; L69-F73 HydrophobicContact CD1-CE2 3.27Å; L69-F73 HydrophobicContact CD1-CZ 4.07Å; F73-E134 HydrophobicContact CB-CB 3.69Å; F73-E134 WeakPolarHBondContact CB-OE2 3.43Å; F73-E134 HydrophobicContact CD1-CB 4.06Å; F73-E134 VanDerWaalsContact CD1-O 3.25Å; F73-E134 WeakPolarHBondContact CD1-O 3.49Å; F73-E134 HydrophobicContact CG-CB 4.19Å; F73-I135 WeakPolarHBondContact CA-O 3.42Å; F73-L136 HydrophobicContact CD1-CB 3.66Å; F73-L136 HydrophobicContact CE1-CB 3.43Å; F73-L136 VanDerWaalsContact CE1-CB 3.43Å; F73-L136 HydrophobicContact CG-CB 4.37Å; F73-L136 HydrophobicContact CZ-CB 4.02Å; F73-L136 HydrophobicContact CZ-CD2 4.29Å; F73-K145 HydrophobicContact CD1-CB 3.98Å; F73-K145 HydrophobicContact CD2-CB 4.21Å; F73-K145 HydrophobicContact CE1-CB 3.78Å; F73-K145 HydrophobicContact CE2-CB 3.96Å; F73-K145 HydrophobicContact CG-CB 4.21Å; F73-K145 HydrophobicContact CZ-CB 3.78Å; F73-T162 HydrophobicContact CE2-CG2 4.32Å; F73-T162 HydrophobicContact CZ-CG2 3.77Å; F73-L164 HydrophobicContact CZ-CD2 4.31Å
74	K	93.9	Very high	88.9	Confident	139 Å²	139	82.1 Å²	82.1	60%	0.604	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.9	177.7	-66.3	175.2	-173.6	164.9	0	110	M76 E134 I135	K74-M76 PolarHBondContact O-N 3.45Å; K74-E134 CarbonylContact O-C 3.52Å; K74-E134 VanDerWaalsContact O-CA 3.25Å; K74-E134 WeakPolarHBondContact O-CA 3.29Å; K74-I135 PolarHBondContact N-O 2.97Å; K74-I135 PolarHBondContact O-N 3.44Å
75	N	93.5	Very high	88.9	Confident	126 Å²	126	80.2 Å²	80.2	67%	0.674	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.1	126.8	179.9	-72	-16.1	0	0	0	112.1	V77	N75-V77 PolarHBondContact O-N 3.3Å
76	M	90.9	Very high	89	Confident	10 Å²	10	83.2 Å²	83.2	5%	0.049	44%	0.437	C	S	.	.			trans	-82	114.6	173.6	-168.3	-174.8	172.1	0	0	109.3	K74 K78 F101 K103 S133 I135	K74-M76 PolarHBondContact O-N 3.45Å; M76-K78 VanDerWaalsContact CE-O 3.32Å; M76-K78 WeakPolarHBondContact CE-O 3.39Å; M76-F101 HydrophobicContact CE-CB 4.45Å; M76-F101 WeakPolarHBondContact CE-O 3.21Å; M76-K103 HydrophobicContact CB-CD 4.38Å; M76-K103 HydrophobicContact CE-CB 3.82Å; M76-K103 HydrophobicContact CG-CD 4.41Å; M76-K103 PolarHBondContact O-NZ 2.61Å; M76-K103 HydrophobicContact SD-CB 3.7Å; M76-K103 HydrophobicContact SD-CD 4.29Å; M76-K103 HydrophobicContact SD-CG 4.45Å; M76-S133 WeakPolarHBondContact CB-O 3.49Å; M76-S133 PolarHBondContact N-O 2.02Å; M76-I135 HydrophobicContact CB-CG1 4.07Å; M76-I135 HydrophobicContact CG-CG1 4.08Å; M76-I135 HydrophobicContact SD-CD1 4.1Å; M76-I135 HydrophobicContact SD-CG1 4.14Å
77	V	83.2	Confident	89.4	Confident	130 Å²	130	80.4 Å²	80.4	79%	0.788	42%	0.424	S	S	*	.			trans	-90.3	-38	-176.3	-177.5	0	0	0	0	112.1	N75	N75-V77 PolarHBondContact O-N 3.3Å
78	K	89.5	Confident	89.9	Confident	160 Å²	160	84.6 Å²	84.6	70%	0.696	45%	0.454	S	S	*	.	S	Bend	trans	-85	161.4	179.6	-64.3	-176.2	179	-179.2	0	111	M76 I80	M76-K78 VanDerWaalsContact CE-O 3.32Å; M76-K78 WeakPolarHBondContact CE-O 3.39Å; K78-I80 PolarHBondContact O-N 3.22Å
79	D	92.4	Very high	90.9	Very high	103 Å²	103	77.3 Å²	77.3	55%	0.551	41%	0.414	S	S	*	.	S	Bend	trans	-69.5	-19.1	175.2	-60.6	-21.4	0	0	0	112.7	Y102 K103 V104	D79-Y102 CarbonylContact O-C 3.52Å; D79-Y102 WeakPolarHBondContact O-CA 3.45Å; D79-K103 PolarHBondContact O-N 3.36Å; D79-V104 HydrophobicContact CB-CG2 3.95Å
80	I	94.6	Very high	91.6	Very high	76 Å²	76	77.4 Å²	77.4	39%	0.39	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.2	179.3	-51.2	174.8	0	0	0	109.6	K78 D100 F101 Y102	K78-I80 PolarHBondContact O-N 3.22Å; I80-D100 HydrophobicContact CG2-CB 4.26Å; I80-F101 WeakPolarHBondContact CA-O 3.39Å; I80-Y102 HydrophobicContact CD1-CD1 4Å; I80-Y102 HydrophobicContact CD1-CE1 3.41Å; I80-Y102 VanDerWaalsContact CD1-CE1 3.41Å; I80-Y102 HydrophobicContact CG1-CD1 3.73Å; I80-Y102 HydrophobicContact CG1-CE1 3.67Å; I80-Y102 HydrophobicContact CG1-CG 4.45Å
81	Y	96.5	Very high	92.6	Very high	82 Å²	82	73.4 Å²	73.4	32%	0.322	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.3	169.3	-176.8	-84.3	0	0	0	108	G83 D100 F101 I135 D137	Y81-G83 PolarHBondContact O-N 3.39Å; Y81-D100 WeakPolarHBondContact O-CA 3.41Å; Y81-F101 AromaticContact CD1-CD2 3.98Å; Y81-F101 HydrophobicContact CD1-CD2 3.98Å; Y81-F101 PolarHBondContact N-O 3.09Å; Y81-F101 PolarHBondContact O-N 2.95Å; Y81-I135 HydrophobicContact CD1-CD1 4.43Å; Y81-I135 HydrophobicContact CD1-CG1 4.36Å; Y81-I135 HydrophobicContact CD1-CG2 3.97Å; Y81-I135 HydrophobicContact CD2-CG1 4.31Å; Y81-I135 HydrophobicContact CD2-CG2 4.48Å; Y81-I135 HydrophobicContact CE1-CG2 3.79Å; Y81-I135 HydrophobicContact CE2-CG2 4.31Å; Y81-I135 HydrophobicContact CG-CD1 4.38Å; Y81-I135 HydrophobicContact CG-CG1 4.04Å; Y81-I135 HydrophobicContact CG-CG2 4.33Å; Y81-D137 HydrophobicContact CE1-CB 4.43Å; Y81-D137 WeakPolarHBondContact CE1-OD2 3.4Å; Y81-D137 PolarHBondContact OH-OD2 2.86Å
82	A	96.2	Very high	93.3	Very high	45 Å²	45	71.7 Å²	71.7	37%	0.372	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	104.6	175.2	0	0	0	0	0	109.4	F84 D100	A82-F84 HydrophobicContact CB-CE2 4.04Å; A82-F84 HydrophobicContact CB-CZ 4.4Å; A82-D100 WeakPolarHBondContact CA-OD1 3.21Å; A82-D100 WeakPolarHBondContact CB-OD1 3.28Å
83	G	95.3	Very high	93.5	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.9	174.9	0	0	0	0	0	111.5	Y81 Q98 I99	Y81-G83 PolarHBondContact O-N 3.39Å; G83-Q98 CarbonylContact O-C 3.47Å; G83-Q98 WeakPolarHBondContact O-CA 3.45Å; G83-I99 WeakPolarHBondContact CA-O 3.38Å; G83-I99 PolarHBondContact N-O 2.91Å; G83-I99 PolarHBondContact O-N 3.3Å
84	F	96.3	Very high	93.5	Very high	121 Å²	121	70.7 Å²	70.7	53%	0.531	37%	0.372	S	S	.	.			trans	-117.1	95.3	174.9	-64	-86.3	0	0	0	108	A82 R86 R97 Q98	A82-F84 HydrophobicContact CB-CE2 4.04Å; A82-F84 HydrophobicContact CB-CZ 4.4Å; F84-R86 PolarHBondContact O-N 2.83Å; F84-R97 WeakPolarHBondContact CD1-O 3.06Å; F84-Q98 HydrophobicContact CD1-CB 4.19Å; F84-Q98 HydrophobicContact CD1-CG 4.36Å; F84-Q98 HydrophobicContact CE1-CB 3.93Å; F84-Q98 HydrophobicContact CE1-CG 3.88Å; F84-Q98 HydrophobicContact CZ-CG 4.11Å
85	P	95.1	Very high	93.6	Very high	27 Å²	27	69.7 Å²	69.7	18%	0.175	37%	0.374	C	S	.	.			trans	-51.3	130	-178	-26	32.9	0	0	0	111.5	F87 F89 I99 L142	P85-F87 HydrophobicContact CB-CD2 4.08Å; P85-F87 HydrophobicContact CB-CE1 4.38Å; P85-F87 HydrophobicContact CB-CE2 3.92Å; P85-F87 HydrophobicContact CB-CG 4.42Å; P85-F87 HydrophobicContact CB-CZ 4.09Å; P85-F87 PolarHBondContact O-N 3.29Å; P85-F89 HydrophobicContact CB-CE1 4.27Å; P85-F89 HydrophobicContact CG-CE1 4.01Å; P85-I99 HydrophobicContact CG-CD1 3.86Å; P85-I99 HydrophobicContact CG-CG1 4.05Å; P85-L142 HydrophobicContact CG-CD2 3.93Å
86	R	94.1	Very high	93.8	Very high	167 Å²	167	64.6 Å²	64.6	63%	0.63	35%	0.347	S	S	*	.	S	Bend	trans	-81.7	0.9	176.1	-58.8	-178	-166.2	158	12.1	112.7	F84	F84-R86 PolarHBondContact O-N 2.83Å
87	F	94.2	Very high	94.1	Very high	27 Å²	27	72.4 Å²	72.4	12%	0.118	38%	0.376	C	S	.	.	S	Bend	trans	-117.7	152.6	173.4	50	-97.3	0	0	0	110.2	P85 F89 E139 L142 I165 P167	P85-F87 HydrophobicContact CB-CD2 4.08Å; P85-F87 HydrophobicContact CB-CE1 4.38Å; P85-F87 HydrophobicContact CB-CE2 3.92Å; P85-F87 HydrophobicContact CB-CG 4.42Å; P85-F87 HydrophobicContact CB-CZ 4.09Å; P85-F87 PolarHBondContact O-N 3.29Å; F87-F89 AromaticContact CD2-CD1 3.72Å; F87-F89 HydrophobicContact CD2-CD1 3.72Å; F87-F89 HydrophobicContact CD2-CE1 4.34Å; F87-F89 AromaticContact CE2-CD1 3.59Å; F87-F89 HydrophobicContact CE2-CD1 3.59Å; F87-F89 AromaticContact CE2-CE1 3.82Å; F87-F89 HydrophobicContact CE2-CE1 3.82Å; F87-F89 HydrophobicContact CE2-CG 4.46Å; F87-E139 WeakPolarHBondContact CD1-O 3.11Å; F87-L142 HydrophobicContact CZ-CB 4.22Å; F87-I165 HydrophobicContact CE2-CG2 4.3Å; F87-I165 HydrophobicContact CZ-CG2 4.43Å; F87-P167 HydrophobicContact CB-CB 3.89Å; F87-P167 HydrophobicContact CB-CG 4.34Å; F87-P167 HydrophobicContact CD1-CB 4.39Å; F87-P167 HydrophobicContact CD1-CG 4.03Å; F87-P167 VanDerWaalsContact CD2-CA 3.46Å; F87-P167 HydrophobicContact CD2-CB 4.24Å; F87-P167 HydrophobicContact CE1-CG 4.45Å; F87-P167 HydrophobicContact CG-CB 3.93Å; F87-P167 HydrophobicContact CG-CG 4.08Å
88	S	93.7	Very high	94.8	Very high	119 Å²	119	68.8 Å²	68.8	83%	0.832	35%	0.35	S	S	*	.			trans	-97.5	127.6	177.6	-66.4	0	0	0	0	110.9
89	F	95.3	Very high	95.2	Very high	15 Å²	15	61.2 Å²	61.2	7%	0.066	32%	0.317	C	S	.	.			trans	-148.2	170.9	173.3	77.5	-77.8	0	0	0	111.2	P85 F87 V96 I99 I165 G169	P85-F89 HydrophobicContact CB-CE1 4.27Å; P85-F89 HydrophobicContact CG-CE1 4.01Å; F87-F89 AromaticContact CD2-CD1 3.72Å; F87-F89 HydrophobicContact CD2-CD1 3.72Å; F87-F89 HydrophobicContact CD2-CE1 4.34Å; F87-F89 AromaticContact CE2-CD1 3.59Å; F87-F89 HydrophobicContact CE2-CD1 3.59Å; F87-F89 AromaticContact CE2-CE1 3.82Å; F87-F89 HydrophobicContact CE2-CE1 3.82Å; F87-F89 HydrophobicContact CE2-CG 4.46Å; F89-V96 HydrophobicContact CD1-CB 4.28Å; F89-V96 HydrophobicContact CD2-CG2 4.19Å; F89-V96 HydrophobicContact CE1-CB 3.76Å; F89-V96 HydrophobicContact CE1-CG1 3.84Å; F89-V96 HydrophobicContact CE1-CG2 4.1Å; F89-V96 HydrophobicContact CE2-CB 4.21Å; F89-V96 HydrophobicContact CE2-CG2 3.61Å; F89-V96 HydrophobicContact CZ-CB 3.72Å; F89-V96 HydrophobicContact CZ-CG1 3.76Å; F89-V96 HydrophobicContact CZ-CG2 3.56Å; F89-V96 PolarHBondContact O-N 3.41Å; F89-V96 VanDerWaalsContact O-N 3.13Å; F89-I99 HydrophobicContact CE1-CD1 4.08Å; F89-I99 HydrophobicContact CZ-CD1 3.73Å; F89-I165 HydrophobicContact CE1-CG2 4.06Å; F89-I165 HydrophobicContact CE2-CG2 4.06Å; F89-I165 HydrophobicContact CZ-CG2 3.66Å; F89-G169 VanDerWaalsContact CD2-CA 3.47Å
90	T	94.8	Very high	95.4	Very high	45 Å²	45	57 Å²	57	28%	0.276	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	143.2	178.2	60.1	0	0	0	0	112.5	S94 N95	T90-S94 CarbonylContact C-O 3.57Å; T90-S94 WeakPolarHBondContact CA-O 3.29Å; T90-N95 WeakPolarHBondContact CG2-OD1 3.41Å
91	Y	96.1	Very high	95.5	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121	169.8	-169.3	-94.9	0	0	0	109.2	Y56 G93 S94 V112 L118 D120 I121 M171 Y192	Y56-Y91 WeakPolarHBondContact OH-CA 3.14Å; Y91-G93 PolarHBondContact O-N 3.48Å; Y91-G93 VanDerWaalsContact O-N 3.11Å; Y91-S94 PolarHBondContact N-O 2.82Å; Y91-S94 PolarHBondContact O-N 2.8Å; Y91-V112 HydrophobicContact CD1-CB 4.35Å; Y91-V112 HydrophobicContact CD1-CG1 4.24Å; Y91-V112 HydrophobicContact CD2-CG1 4.33Å; Y91-V112 HydrophobicContact CD2-CG2 4.32Å; Y91-V112 HydrophobicContact CE2-CG2 4.25Å; Y91-V112 HydrophobicContact CG-CB 4.4Å; Y91-V112 HydrophobicContact CG-CG1 3.93Å; Y91-L118 HydrophobicContact CD1-CB 4.03Å; Y91-D120 PolarHBondContact OH-O 2.85Å; Y91-I121 HydrophobicContact CE2-CD1 4.41Å; Y91-I121 HydrophobicContact CE2-CG1 4.06Å; Y91-M171 HydrophobicContact CD2-CE 4.22Å; Y91-M171 HydrophobicContact CD2-SD 3.93Å; Y91-M171 HydrophobicContact CE2-CE 3.97Å; Y91-M171 HydrophobicContact CE2-SD 3.56Å; Y91-M171 VanDerWaalsContact CE2-SD 3.56Å; Y91-Y192 WeakPolarHBondContact CE1-O 3.34Å; Y91-Y192 PolarHBondContact OH-N 3.21Å; Y91-Y192 PolarHBondContact OH-O 2.83Å
92	Y	93.6	Very high	95.5	Very high	5 Å²	5	52.3 Å²	52.3	2%	0.02	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	39.4	-170.2	-76.3	-94.3	0	0	0	113.6	Y54 Y56 S94 I191 G193 I195 H204	Y54-Y92 HydrophobicContact CD1-CD1 4.29Å; Y54-Y92 HydrophobicContact CD1-CE1 4.34Å; Y56-Y92 HydrophobicContact CD2-CD1 4.47Å; Y56-Y92 HydrophobicContact CD2-CE1 4.06Å; Y56-Y92 HydrophobicContact CD2-CE2 4.23Å; Y56-Y92 AromaticContact CD2-CZ 3.94Å; Y56-Y92 HydrophobicContact CE2-CD1 4Å; Y56-Y92 AromaticContact CE2-CD2 3.64Å; Y56-Y92 HydrophobicContact CE2-CD2 3.64Å; Y56-Y92 AromaticContact CE2-CE1 3.95Å; Y56-Y92 HydrophobicContact CE2-CE1 3.95Å; Y56-Y92 AromaticContact CE2-CE2 3.63Å; Y56-Y92 HydrophobicContact CE2-CE2 3.63Å; Y56-Y92 AromaticContact CE2-CG 3.85Å; Y56-Y92 HydrophobicContact CE2-CG 3.85Å; Y56-Y92 AromaticContact CE2-CZ 3.77Å; Y56-Y92 PolarHBondContact OH-N 3.5Å; Y92-S94 VanDerWaalsContact C-N 3.31Å; Y92-S94 PolarHBondContact O-N 2.94Å; Y92-I191 HydrophobicContact CE2-CD1 4.41Å; Y92-G193 VanDerWaalsContact CD2-CA 3.44Å; Y92-G193 VanDerWaalsContact CE2-CA 3.41Å; Y92-I195 HydrophobicContact CD1-CD1 3.99Å; Y92-I195 HydrophobicContact CD1-CG1 4.3Å; Y92-H204 HydrophobicContact CE1-CB 4Å; Y92-H204 AromaticContact CE1-ND1 3.7Å; Y92-H204 AromaticContact CZ-ND1 3.93Å; Y92-H204 PolarHBondContact OH-ND1 2.87Å
93	G	90.6	Very high	95.3	Very high	35 Å²	35	52.6 Å²	52.6	36%	0.361	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	4.4	178.6	0	0	0	0	0	115.7	Y91	Y91-G93 PolarHBondContact O-N 3.48Å; Y91-G93 VanDerWaalsContact O-N 3.11Å
94	S	93.3	Very high	94.9	Very high	51 Å²	51	55.4 Å²	55.4	36%	0.357	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	140.7	175.5	-62.8	0	0	0	0	111.2	T90 Y91 Y92 V96	T90-S94 CarbonylContact C-O 3.57Å; T90-S94 WeakPolarHBondContact CA-O 3.29Å; Y91-S94 PolarHBondContact N-O 2.82Å; Y91-S94 PolarHBondContact O-N 2.8Å; Y92-S94 VanDerWaalsContact C-N 3.31Å; Y92-S94 PolarHBondContact O-N 2.94Å; S94-V96 PolarHBondContact O-N 3.3Å
95	N	95.5	Very high	94.1	Very high	119 Å²	119	53.2 Å²	53.2	64%	0.636	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	128.1	179.5	-70.1	-26.7	0	0	0	111.2	T90 G114	T90-N95 WeakPolarHBondContact CG2-OD1 3.41Å; N95-G114 WeakPolarHBondContact O-CA 3.38Å
96	V	97.9	Very high	93.4	Very high	18 Å²	18	56.4 Å²	56.4	11%	0.109	29%	0.294	C	S	.	.			trans	-82.1	140.8	175.3	-179.7	0	0	0	0	109.9	F89 S94 I99 V112 L118	F89-V96 HydrophobicContact CD1-CB 4.28Å; F89-V96 HydrophobicContact CD2-CG2 4.19Å; F89-V96 HydrophobicContact CE1-CB 3.76Å; F89-V96 HydrophobicContact CE1-CG1 3.84Å; F89-V96 HydrophobicContact CE1-CG2 4.1Å; F89-V96 HydrophobicContact CE2-CB 4.21Å; F89-V96 HydrophobicContact CE2-CG2 3.61Å; F89-V96 HydrophobicContact CZ-CB 3.72Å; F89-V96 HydrophobicContact CZ-CG1 3.76Å; F89-V96 HydrophobicContact CZ-CG2 3.56Å; F89-V96 PolarHBondContact O-N 3.41Å; F89-V96 VanDerWaalsContact O-N 3.13Å; S94-V96 PolarHBondContact O-N 3.3Å; V96-I99 HydrophobicContact CG1-CD1 4.07Å; V96-I99 HydrophobicContact CG1-CG1 3.76Å; V96-V112 HydrophobicContact CB-CG1 4.35Å; V96-V112 HydrophobicContact CG1-CG1 3.82Å; V96-V112 HydrophobicContact CG2-CG1 3.58Å; V96-L118 HydrophobicContact CG2-CD1 4.22Å
97	R	97.4	Very high	93	Very high	175 Å²	175	50.9 Å²	50.9	66%	0.66	28%	0.284	S	S	*	.			trans	-122	-32.5	176.7	-66.3	-174.8	175.8	-175.5	-2.2	112.7	F84 F113	F84-R97 WeakPolarHBondContact CD1-O 3.06Å; R97-F113 PolarHBondContact N-O 2.02Å
98	Q	97.7	Very high	92.8	Very high	54 Å²	54	49.6 Å²	49.6	25%	0.252	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	146.7	-175.8	179.3	-178.8	-43	0	0	109.4	G83 F84 D100 F113	G83-Q98 CarbonylContact O-C 3.47Å; G83-Q98 WeakPolarHBondContact O-CA 3.45Å; F84-Q98 HydrophobicContact CD1-CB 4.19Å; F84-Q98 HydrophobicContact CD1-CG 4.36Å; F84-Q98 HydrophobicContact CE1-CB 3.93Å; F84-Q98 HydrophobicContact CE1-CG 3.88Å; F84-Q98 HydrophobicContact CZ-CG 4.11Å; Q98-D100 WeakPolarHBondContact CG-OD1 3.09Å; Q98-D100 VanDerWaalsContact NE2-CG 3.31Å; Q98-D100 PolarHBondContact NE2-OD1 3.45Å; Q98-D100 PolarHBondContact NE2-OD2 3.24Å; Q98-F113 HydrophobicContact CB-CB 4.27Å; Q98-F113 PolarHBondContact N-O 3.48Å; Q98-F113 PolarHBondContact O-N 3.32Å
99	I	97.8	Very high	92.7	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	117.4	175.5	-54.8	-173.1	0	0	0	107.7	G83 P85 F89 V96 F101 I110 V111 L142 I165	G83-I99 WeakPolarHBondContact CA-O 3.38Å; G83-I99 PolarHBondContact N-O 2.91Å; G83-I99 PolarHBondContact O-N 3.3Å; P85-I99 HydrophobicContact CG-CD1 3.86Å; P85-I99 HydrophobicContact CG-CG1 4.05Å; F89-I99 HydrophobicContact CE1-CD1 4.08Å; F89-I99 HydrophobicContact CZ-CD1 3.73Å; V96-I99 HydrophobicContact CG1-CD1 4.07Å; V96-I99 HydrophobicContact CG1-CG1 3.76Å; I99-F101 HydrophobicContact CB-CE2 4.27Å; I99-F101 HydrophobicContact CG2-CE1 4.37Å; I99-F101 HydrophobicContact CG2-CE2 3.84Å; I99-F101 HydrophobicContact CG2-CZ 3.74Å; I99-I110 HydrophobicContact CG2-CG2 3.35Å; I99-V111 CarbonylContact C-O 3.56Å; I99-V111 WeakPolarHBondContact CA-O 3.02Å; I99-L142 HydrophobicContact CB-CD2 4.16Å; I99-L142 HydrophobicContact CD1-CD2 3.93Å; I99-L142 HydrophobicContact CG1-CD2 4.38Å; I99-I165 HydrophobicContact CD1-CD1 3.42Å; I99-I165 VanDerWaalsContact CD1-CD1 3.42Å; I99-I165 HydrophobicContact CD1-CG2 4.41Å; I99-I165 HydrophobicContact CG2-CD1 4.15Å
100	D	97.2	Very high	92.8	Very high	14 Å²	14	45.2 Å²	45.2	8%	0.075	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.6	178.9	-70.6	-8.3	0	0	0	110	I80 Y81 A82 Q98 Y102 I110 V111 F113	I80-D100 HydrophobicContact CG2-CB 4.26Å; Y81-D100 WeakPolarHBondContact O-CA 3.41Å; A82-D100 WeakPolarHBondContact CA-OD1 3.21Å; A82-D100 WeakPolarHBondContact CB-OD1 3.28Å; Q98-D100 WeakPolarHBondContact CG-OD1 3.09Å; Q98-D100 VanDerWaalsContact NE2-CG 3.31Å; Q98-D100 PolarHBondContact NE2-OD1 3.45Å; Q98-D100 PolarHBondContact NE2-OD2 3.24Å; D100-Y102 HydrophobicContact CB-CD2 4.17Å; D100-Y102 HydrophobicContact CB-CE2 3.59Å; D100-I110 CarbonylContact O-C 3.4Å; D100-I110 WeakPolarHBondContact O-CA 3.42Å; D100-V111 HydrophobicContact CB-CB 4.42Å; D100-V111 PolarHBondContact N-O 3.28Å; D100-V111 PolarHBondContact O-N 2.94Å; D100-F113 HydrophobicContact CB-CE2 4.14Å; D100-F113 WeakPolarHBondContact OD2-CE2 3.47Å
101	F	97.2	Very high	93	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.7	171.8	-58.5	-92.2	0	0	0	107.7	M76 I80 Y81 I99 I110 I135 L142 V144	M76-F101 HydrophobicContact CE-CB 4.45Å; M76-F101 WeakPolarHBondContact CE-O 3.21Å; I80-F101 WeakPolarHBondContact CA-O 3.39Å; Y81-F101 AromaticContact CD1-CD2 3.98Å; Y81-F101 HydrophobicContact CD1-CD2 3.98Å; Y81-F101 PolarHBondContact N-O 3.09Å; Y81-F101 PolarHBondContact O-N 2.95Å; I99-F101 HydrophobicContact CB-CE2 4.27Å; I99-F101 HydrophobicContact CG2-CE1 4.37Å; I99-F101 HydrophobicContact CG2-CE2 3.84Å; I99-F101 HydrophobicContact CG2-CZ 3.74Å; F101-I110 HydrophobicContact CD1-CB 4.44Å; F101-I110 HydrophobicContact CD1-CD1 4.09Å; F101-I110 HydrophobicContact CD1-CG1 3.8Å; F101-I110 HydrophobicContact CD1-CG2 3.97Å; F101-I110 HydrophobicContact CE1-CD1 3.95Å; F101-I110 HydrophobicContact CE1-CG1 4.08Å; F101-I110 HydrophobicContact CE1-CG2 3.76Å; F101-I110 HydrophobicContact CZ-CG2 4.28Å; F101-I135 HydrophobicContact CB-CD1 3.68Å; F101-I135 HydrophobicContact CD1-CD1 4.08Å; F101-I135 HydrophobicContact CD2-CD1 3.99Å; F101-I135 HydrophobicContact CG-CD1 3.63Å; F101-L142 HydrophobicContact CE2-CD1 4.08Å; F101-L142 HydrophobicContact CE2-CD2 3.99Å; F101-L142 HydrophobicContact CE2-CG 3.96Å; F101-L142 HydrophobicContact CZ-CD1 4.29Å; F101-L142 HydrophobicContact CZ-CD2 4Å; F101-L142 HydrophobicContact CZ-CG 3.76Å; F101-V144 HydrophobicContact CD1-CB 3.67Å; F101-V144 HydrophobicContact CD1-CG1 3.67Å; F101-V144 HydrophobicContact CE1-CB 4.07Å; F101-V144 HydrophobicContact CE1-CG1 4.01Å
102	Y	95.6	Very high	93.1	Very high	61 Å²	61	44 Å²	44	24%	0.239	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	143.5	174.1	-72.1	-105.3	0	0	0	110.6	D79 I80 D100 A107 D109 V111 R146	D79-Y102 CarbonylContact O-C 3.52Å; D79-Y102 WeakPolarHBondContact O-CA 3.45Å; I80-Y102 HydrophobicContact CD1-CD1 4Å; I80-Y102 HydrophobicContact CD1-CE1 3.41Å; I80-Y102 VanDerWaalsContact CD1-CE1 3.41Å; I80-Y102 HydrophobicContact CG1-CD1 3.73Å; I80-Y102 HydrophobicContact CG1-CE1 3.67Å; I80-Y102 HydrophobicContact CG1-CG 4.45Å; D100-Y102 HydrophobicContact CB-CD2 4.17Å; D100-Y102 HydrophobicContact CB-CE2 3.59Å; Y102-A107 WeakPolarHBondContact CB-O 3.19Å; Y102-D109 PolarHBondContact N-O 3.38Å; Y102-V111 HydrophobicContact CD2-CG2 3.74Å; Y102-V111 HydrophobicContact CE2-CB 4.05Å; Y102-V111 HydrophobicContact CE2-CG2 3.52Å; Y102-R146 PolarHBondContact O-NH2 3.36Å
103	K	91.9	Very high	93.3	Very high	50 Å²	50	46.3 Å²	46.3	22%	0.217	25%	0.249	C	C	.	.			trans	-129.3	59.1	173.9	-173.5	-162	174.8	-171.1	0	108.1	M76 D79 L131	M76-K103 HydrophobicContact CB-CD 4.38Å; M76-K103 HydrophobicContact CE-CB 3.82Å; M76-K103 HydrophobicContact CG-CD 4.41Å; M76-K103 PolarHBondContact O-NZ 2.61Å; M76-K103 HydrophobicContact SD-CB 3.7Å; M76-K103 HydrophobicContact SD-CD 4.29Å; M76-K103 HydrophobicContact SD-CG 4.45Å; D79-K103 PolarHBondContact O-N 3.36Å; K103-L131 HydrophobicContact CB-CD2 4.47Å; K103-L131 WeakPolarHBondContact CE-O 2.96Å; K103-L131 HydrophobicContact CG-CD2 3.97Å; K103-L131 HydrophobicContact CG-CG 4.15Å
104	V	87.9	Confident	93.5	Very high	59 Å²	59	45.2 Å²	45.2	36%	0.358	24%	0.238	S	C	.	.	S	Bend	trans	-118.9	133.8	176	179.9	0	0	0	0	107.8	D79 N106 A107 D108 Y128	D79-V104 HydrophobicContact CB-CG2 3.95Å; V104-N106 PolarHBondContact O-N 3.3Å; V104-N106 VanDerWaalsContact O-N 3.16Å; V104-A107 HydrophobicContact CB-CB 4.1Å; V104-A107 HydrophobicContact CG1-CB 4.08Å; V104-A107 CarbonylContact O-C 3.56Å; V104-A107 VanDerWaalsContact O-C 3.3Å; V104-A107 PolarHBondContact O-N 3.48Å; V104-D108 PolarHBondContact O-N 3.3Å; V104-Y128 PolarHBondContact O-OH 2.79Å; V104-Y128 VanDerWaalsContact O-OH 3.12Å
105	V	80	Confident	93.5	Very high	75 Å²	75	47.7 Å²	47.7	46%	0.455	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	120.7	-178.6	176.6	0	0	0	0	110.1	A107 Y128	V105-A107 PolarHBondContact O-N 2.95Å; V105-Y128 WeakPolarHBondContact CA-OH 3.47Å; V105-Y128 HydrophobicContact CB-CE2 4.01Å; V105-Y128 HydrophobicContact CG1-CD2 4.13Å; V105-Y128 HydrophobicContact CG1-CE2 3.78Å; V105-Y128 HydrophobicContact CG2-CE2 4.01Å
106	N	79.4	Confident	93.4	Very high	94 Å²	94	46.5 Å²	46.5	50%	0.503	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	17.9	-173.7	-52.4	-62.5	0	0	0	115.8	V104 N127 Y128	V104-N106 PolarHBondContact O-N 3.3Å; V104-N106 VanDerWaalsContact O-N 3.16Å; N106-N127 PolarHBondContact OD1-N 2.86Å; N106-Y128 PolarHBondContact N-OH 3.19Å
107	A	85.1	Confident	93.3	Very high	51 Å²	51	48 Å²	48	42%	0.421	25%	0.254	S	S	.	.			trans	-144.9	45.7	173	0	0	0	0	0	110.1	Y102 V104 V105	Y102-A107 WeakPolarHBondContact CB-O 3.19Å; V104-A107 HydrophobicContact CB-CB 4.1Å; V104-A107 HydrophobicContact CG1-CB 4.08Å; V104-A107 CarbonylContact O-C 3.56Å; V104-A107 VanDerWaalsContact O-C 3.3Å; V104-A107 PolarHBondContact O-N 3.48Å; V105-A107 PolarHBondContact O-N 2.95Å
108	D	90	Very high	93.2	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.224	C	C	.	.			trans	-97.3	28	-174.6	63.6	-71.9	0	0	0	113	V104 N124 Y128 L131 R146 F148	V104-D108 PolarHBondContact O-N 3.3Å; D108-N124 PolarHBondContact OD1-ND2 3.26Å; D108-N124 WeakPolarHBondContact OD2-CB 3.12Å; D108-Y128 PolarHBondContact OD1-OH 3.36Å; D108-L131 HydrophobicContact CB-CD2 3.59Å; D108-R146 PolarHBondContact O-NH1 3.43Å; D108-R146 PolarHBondContact O-NH2 2.95Å; D108-R146 IonicContact OD2-CZ 3.48Å; D108-R146 IonicContact OD2-NE 2.68Å; D108-R146 IonicContact OD2-NH1 2.83Å; D108-R146 PolarHBondContact OD2-NH1 3.36Å; D108-R146 VanDerWaalsContact OD2-NH1 3.16Å; D108-F148 WeakPolarHBondContact OD2-CE1 3.41Å
109	D	92.6	Very high	93.2	Very high	42 Å²	42	37.5 Å²	37.5	23%	0.225	21%	0.212	C	C	.	.			trans	-68.1	158.3	-179	-63.2	-24.2	0	0	0	111.8	Y102 N124	Y102-D109 PolarHBondContact N-O 3.38Å; D109-N124 PolarHBondContact OD1-ND2 2.8Å
110	I	97.7	Very high	93.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	112.3	169.3	-55.8	169.7	0	0	0	106.4	I99 D100 F101 D120 I121 V144	I99-I110 HydrophobicContact CG2-CG2 3.35Å; D100-I110 CarbonylContact O-C 3.4Å; D100-I110 WeakPolarHBondContact O-CA 3.42Å; F101-I110 HydrophobicContact CD1-CB 4.44Å; F101-I110 HydrophobicContact CD1-CD1 4.09Å; F101-I110 HydrophobicContact CD1-CG1 3.8Å; F101-I110 HydrophobicContact CD1-CG2 3.97Å; F101-I110 HydrophobicContact CE1-CD1 3.95Å; F101-I110 HydrophobicContact CE1-CG1 4.08Å; F101-I110 HydrophobicContact CE1-CG2 3.76Å; F101-I110 HydrophobicContact CZ-CG2 4.28Å; I110-D120 CarbonylContact O-C 3.48Å; I110-D120 VanDerWaalsContact O-CA 3.31Å; I110-D120 WeakPolarHBondContact O-CA 3.37Å; I110-I121 HydrophobicContact CB-CB 4.09Å; I110-I121 WeakPolarHBondContact CB-O 3.37Å; I110-I121 HydrophobicContact CD1-CB 4.43Å; I110-I121 HydrophobicContact CD1-CG2 4.41Å; I110-I121 HydrophobicContact CG2-CD1 4.48Å; I110-I121 PolarHBondContact N-O 3.02Å; I110-I121 PolarHBondContact O-N 3.01Å; I110-V144 HydrophobicContact CD1-CG1 3.69Å; I110-V144 HydrophobicContact CG1-CG1 4.19Å
111	V	98	Very high	93.3	Very high	19 Å²	19	38.2 Å²	38.2	12%	0.115	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.3	-172.1	-173.7	0	0	0	0	109.5	I99 D100 Y102 F113 H117 D120	I99-V111 CarbonylContact C-O 3.56Å; I99-V111 WeakPolarHBondContact CA-O 3.02Å; D100-V111 HydrophobicContact CB-CB 4.42Å; D100-V111 PolarHBondContact N-O 3.28Å; D100-V111 PolarHBondContact O-N 2.94Å; Y102-V111 HydrophobicContact CD2-CG2 3.74Å; Y102-V111 HydrophobicContact CE2-CB 4.05Å; Y102-V111 HydrophobicContact CE2-CG2 3.52Å; V111-F113 HydrophobicContact CB-CE2 3.79Å; V111-F113 HydrophobicContact CB-CZ 4.18Å; V111-F113 HydrophobicContact CG1-CD2 4.08Å; V111-F113 HydrophobicContact CG1-CE1 4.02Å; V111-F113 HydrophobicContact CG1-CE2 3.29Å; V111-F113 HydrophobicContact CG1-CZ 3.25Å; V111-H117 VanDerWaalsContact CG1-CD2 3.45Å; V111-H117 WeakPolarHBondContact CG1-CD2 3.45Å; V111-D120 WeakPolarHBondContact CG1-OD1 3.44Å
112	V	98.4	Very high	93.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.4	-174.4	-172.4	0	0	0	0	110.2	Y91 V96 L118 G119 I121	Y91-V112 HydrophobicContact CD1-CB 4.35Å; Y91-V112 HydrophobicContact CD1-CG1 4.24Å; Y91-V112 HydrophobicContact CD2-CG1 4.33Å; Y91-V112 HydrophobicContact CD2-CG2 4.32Å; Y91-V112 HydrophobicContact CE2-CG2 4.25Å; Y91-V112 HydrophobicContact CG-CB 4.4Å; Y91-V112 HydrophobicContact CG-CG1 3.93Å; V96-V112 HydrophobicContact CB-CG1 4.35Å; V96-V112 HydrophobicContact CG1-CG1 3.82Å; V96-V112 HydrophobicContact CG2-CG1 3.58Å; V112-L118 HydrophobicContact CG1-CB 4.48Å; V112-L118 HydrophobicContact CG1-CD1 4.48Å; V112-L118 PolarHBondContact O-N 3.33Å; V112-G119 PolarHBondContact N-O 2.88Å; V112-I121 HydrophobicContact CG2-CD1 4.18Å; V112-I121 HydrophobicContact CG2-CG1 4.29Å
113	F	98.2	Very high	93.4	Very high	53 Å²	53	35.7 Å²	35.7	23%	0.232	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138	-177.9	-63.5	-82.8	0	0	0	112.5	R97 Q98 D100 V111 I116 H117	R97-F113 PolarHBondContact N-O 2.02Å; Q98-F113 HydrophobicContact CB-CB 4.27Å; Q98-F113 PolarHBondContact N-O 3.48Å; Q98-F113 PolarHBondContact O-N 3.32Å; D100-F113 HydrophobicContact CB-CE2 4.14Å; D100-F113 WeakPolarHBondContact OD2-CE2 3.47Å; V111-F113 HydrophobicContact CB-CE2 3.79Å; V111-F113 HydrophobicContact CB-CZ 4.18Å; V111-F113 HydrophobicContact CG1-CD2 4.08Å; V111-F113 HydrophobicContact CG1-CE1 4.02Å; V111-F113 HydrophobicContact CG1-CE2 3.29Å; V111-F113 HydrophobicContact CG1-CZ 3.25Å; F113-I116 WeakPolarHBondContact CA-O 3.25Å; F113-H117 HydrophobicContact CD1-CB 4.13Å; F113-H117 HydrophobicContact CE1-CB 3.92Å
114	G	95.7	Very high	93.5	Very high	12 Å²	12	33.7 Å²	33.7	12%	0.124	20%	0.199	C	C	.	.	S	Bend	trans	-103.8	-120.4	161.8	0	0	0	0	0	109.1	N95 I116	N95-G114 WeakPolarHBondContact O-CA 3.38Å; G114-I116 VanDerWaalsContact C-N 3.27Å; G114-I116 PolarHBondContact N-O 2.77Å
115	S	92.4	Very high	93.9	Very high	104 Å²	104	31 Å²	31	73%	0.727	18%	0.182	S	C	*	.	S	Bend	trans	-77.6	-17	162.4	54	0	0	0	0	113.1
116	I	92.6	Very high	94.5	Very high	94 Å²	94	31 Å²	31	48%	0.482	18%	0.177	S	C	.	.	S	Bend	trans	-137.3	173.8	177.4	60.1	171.4	0	0	0	108.6	F113 G114 L118	F113-I116 WeakPolarHBondContact CA-O 3.25Å; G114-I116 VanDerWaalsContact C-N 3.27Å; G114-I116 PolarHBondContact N-O 2.77Å; I116-L118 HydrophobicContact CG1-CD2 4.24Å; I116-L118 PolarHBondContact O-N 3.47Å
117	H	96.2	Very high	95	Very high	49 Å²	49	31.7 Å²	31.7	23%	0.227	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	123	167.9	177.2	-133.5	0	0	0	110.3	V111 F113 G119 D120 Y192	V111-H117 VanDerWaalsContact CG1-CD2 3.45Å; V111-H117 WeakPolarHBondContact CG1-CD2 3.45Å; F113-H117 HydrophobicContact CD1-CB 4.13Å; F113-H117 HydrophobicContact CE1-CB 3.92Å; H117-G119 PolarHBondContact CD2-N 3.42Å; H117-G119 PolarHBondContact NE2-N 3.15Å; H117-G119 PolarHBondContact NE2-O 3.32Å; H117-D120 IonicContact CD2-OD1 2.77Å; H117-D120 IonicContact CE1-OD1 3.29Å; H117-D120 IonicContact CE1-OD2 3.92Å; H117-D120 IonicContact NE2-OD1 3.88Å; H117-D120 PolarHBondContact NE2-OD1 2.9Å; H117-D120 IonicContact NE2-OD2 3.86Å; H117-Y192 AromaticContact CE1-CE1 3.97Å
118	L	96.8	Very high	95.4	Very high	9 Å²	9	29.6 Å²	29.6	5%	0.047	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-17.7	-179.5	-60.2	-179.3	0	0	0	112.6	Y91 V96 V112 I116 R194	Y91-L118 HydrophobicContact CD1-CB 4.03Å; V96-L118 HydrophobicContact CG2-CD1 4.22Å; V112-L118 HydrophobicContact CG1-CB 4.48Å; V112-L118 HydrophobicContact CG1-CD1 4.48Å; V112-L118 PolarHBondContact O-N 3.33Å; I116-L118 HydrophobicContact CG1-CD2 4.24Å; I116-L118 PolarHBondContact O-N 3.47Å; L118-R194 PolarHBondContact O-N 2.9Å
119	G	97.5	Very high	95.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.9	-168.1	-177.6	0	0	0	0	0	112.9	V112 H117 Y192	V112-G119 PolarHBondContact N-O 2.88Å; H117-G119 PolarHBondContact CD2-N 3.42Å; H117-G119 PolarHBondContact NE2-N 3.15Å; H117-G119 PolarHBondContact NE2-O 3.32Å; G119-Y192 CarbonylContact C-O 3.56Å; G119-Y192 WeakPolarHBondContact CA-O 3.31Å
120	D	97.9	Very high	95.7	Very high	27 Å²	27	36.2 Å²	36.2	14%	0.144	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.6	-167	-53.6	-46.8	0	0	0	111.2	Y91 I110 V111 H117 Y192	Y91-D120 PolarHBondContact OH-O 2.85Å; I110-D120 CarbonylContact O-C 3.48Å; I110-D120 VanDerWaalsContact O-CA 3.31Å; I110-D120 WeakPolarHBondContact O-CA 3.37Å; V111-D120 WeakPolarHBondContact CG1-OD1 3.44Å; H117-D120 IonicContact CD2-OD1 2.77Å; H117-D120 IonicContact CE1-OD1 3.29Å; H117-D120 IonicContact CE1-OD2 3.92Å; H117-D120 IonicContact NE2-OD1 3.88Å; H117-D120 PolarHBondContact NE2-OD1 2.9Å; H117-D120 IonicContact NE2-OD2 3.86Å; D120-Y192 HydrophobicContact CB-CD1 4Å; D120-Y192 PolarHBondContact N-O 3.29Å; D120-Y192 PolarHBondContact O-N 3.2Å; D120-Y192 VanDerWaalsContact OD2-CD1 3.31Å; D120-Y192 WeakPolarHBondContact OD2-CD1 3.48Å
121	I	98.3	Very high	95.5	Very high	2 Å²	2	37 Å²	37	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.9	166.6	-54.4	162.9	0	0	0	106.5	Y91 I110 V112 I165 M171 L173 I191	Y91-I121 HydrophobicContact CE2-CD1 4.41Å; Y91-I121 HydrophobicContact CE2-CG1 4.06Å; I110-I121 HydrophobicContact CB-CB 4.09Å; I110-I121 WeakPolarHBondContact CB-O 3.37Å; I110-I121 HydrophobicContact CD1-CB 4.43Å; I110-I121 HydrophobicContact CD1-CG2 4.41Å; I110-I121 HydrophobicContact CG2-CD1 4.48Å; I110-I121 PolarHBondContact N-O 3.02Å; I110-I121 PolarHBondContact O-N 3.01Å; V112-I121 HydrophobicContact CG2-CD1 4.18Å; V112-I121 HydrophobicContact CG2-CG1 4.29Å; I121-I165 HydrophobicContact CD1-CD1 3.77Å; I121-I165 HydrophobicContact CD1-CG1 4.21Å; I121-M171 HydrophobicContact CD1-CG 4.1Å; I121-M171 HydrophobicContact CD1-SD 3.49Å; I121-M171 WeakPolarHBondContact CD1-SD 3.35Å; I121-M171 HydrophobicContact CG1-SD 3.87Å; I121-L173 HydrophobicContact CG2-CD2 3.86Å; I121-I191 HydrophobicContact CG1-CG2 4.16Å; I121-I191 HydrophobicContact CG2-CG2 4.21Å
122	V	97.5	Very high	95.4	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.036	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.2	-179.2	-176.1	0	0	0	0	107.5	N124 R188 S189 L190	V122-N124 WeakPolarHBondContact CG1-OD1 3.34Å; V122-R188 HydrophobicContact CG1-CB 4.22Å; V122-S189 CarbonylContact O-C 3.47Å; V122-S189 WeakPolarHBondContact O-CA 3.27Å; V122-L190 HydrophobicContact CB-CD1 4.12Å; V122-L190 HydrophobicContact CB-CG 3.94Å; V122-L190 HydrophobicContact CG2-CD1 3.72Å; V122-L190 HydrophobicContact CG2-CG 4.02Å; V122-L190 PolarHBondContact N-O 2.86Å; V122-L190 PolarHBondContact O-N 2.84Å
123	N	97.4	Very high	95.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	76	173.6	-168.8	22.4	0	0	0	108.7	T162 S163 L173 Y175 R188 S189	N123-T162 PolarHBondContact ND2-O 3.27Å; N123-S163 WeakPolarHBondContact CB-OG 3.27Å; N123-S163 PolarHBondContact ND2-OG 3.22Å; N123-L173 HydrophobicContact CB-CD1 4.25Å; N123-L173 HydrophobicContact CB-CD2 4.09Å; N123-Y175 VanDerWaalsContact OD1-CE1 3.31Å; N123-Y175 WeakPolarHBondContact OD1-CE1 3.25Å; N123-R188 WeakPolarHBondContact CA-O 3.37Å; N123-S189 PolarHBondContact OD1-OG 2.79Å
124	N	95.1	Very high	95.2	Very high	9 Å²	9	40.1 Å²	40.1	5%	0.048	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	178	-168.9	65.2	19.5	0	0	0	113.3	D108 D109 V122 F148 R188	D108-N124 PolarHBondContact OD1-ND2 3.26Å; D108-N124 WeakPolarHBondContact OD2-CB 3.12Å; D109-N124 PolarHBondContact OD1-ND2 2.8Å; V122-N124 WeakPolarHBondContact CG1-OD1 3.34Å; N124-F148 HydrophobicContact CB-CE1 3.97Å; N124-F148 HydrophobicContact CB-CZ 3.85Å; N124-R188 PolarHBondContact N-O 2.89Å; N124-R188 PolarHBondContact O-N 2.84Å; N124-R188 VanDerWaalsContact O-O 3.12Å
125	I	95.1	Very high	95.2	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.6	174.4	-54.6	-169.7	0	0	0	107.3	Y128 F148 V150 A159 M161 I182 K186 L187	I125-Y128 WeakPolarHBondContact O-CD1 3.46Å; I125-Y128 WeakPolarHBondContact O-CE1 3.38Å; I125-F148 HydrophobicContact CB-CD1 4.47Å; I125-F148 HydrophobicContact CB-CG 4.43Å; I125-F148 HydrophobicContact CD1-CB 4.27Å; I125-F148 HydrophobicContact CD1-CD2 4.38Å; I125-F148 HydrophobicContact CD1-CG 4.43Å; I125-F148 HydrophobicContact CG1-CD2 4.26Å; I125-F148 HydrophobicContact CG1-CG 4.29Å; I125-V150 HydrophobicContact CD1-CG2 4.24Å; I125-V150 HydrophobicContact CG2-CG2 3.97Å; I125-A159 HydrophobicContact CD1-CB 3.28Å; I125-M161 HydrophobicContact CD1-CE 3.89Å; I125-M161 HydrophobicContact CG1-CE 3.61Å; I125-M161 HydrophobicContact CG1-SD 4.33Å; I125-I182 HydrophobicContact CD1-CD1 3.86Å; I125-I182 HydrophobicContact CG2-CG2 4.22Å; I125-K186 CarbonylContact C-O 3.5Å; I125-K186 VanDerWaalsContact CA-O 3.26Å; I125-K186 WeakPolarHBondContact CA-O 3.34Å; I125-K186 HydrophobicContact CG2-CB 4Å; I125-L187 HydrophobicContact CD1-CD2 3.87Å; I125-L187 HydrophobicContact CG1-CD2 3.95Å
126	Q	93.3	Very high	95.3	Very high	76 Å²	76	35.1 Å²	35.1	36%	0.355	18%	0.176	S	C	.	.	S	Bend	trans	-88.8	150.8	171	-64	-173.5	-40.3	0	0	111.3	Y128 K186 R188	Q126-Y128 VanDerWaalsContact C-N 3.34Å; Q126-Y128 PolarHBondContact O-N 3.35Å; Q126-K186 HydrophobicContact CB-CB 4.44Å; Q126-K186 PolarHBondContact N-O 2.97Å; Q126-R188 HydrophobicContact CG-CG 4.37Å
127	N	89.1	Confident	95.4	Very high	108 Å²	108	32.2 Å²	32.2	58%	0.578	16%	0.162	S	C	*	.	S	Bend	trans	61.2	36.9	174.4	-56.1	-33.5	0	0	0	114	N106	N106-N127 PolarHBondContact OD1-N 2.86Å
128	Y	94	Very high	95.3	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.027	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	154.4	169	60	-90.4	0	0	0	111.1	V104 V105 N106 D108 I125 Q126 L131 F148 S149	V104-Y128 PolarHBondContact O-OH 2.79Å; V104-Y128 VanDerWaalsContact O-OH 3.12Å; V105-Y128 WeakPolarHBondContact CA-OH 3.47Å; V105-Y128 HydrophobicContact CB-CE2 4.01Å; V105-Y128 HydrophobicContact CG1-CD2 4.13Å; V105-Y128 HydrophobicContact CG1-CE2 3.78Å; V105-Y128 HydrophobicContact CG2-CE2 4.01Å; N106-Y128 PolarHBondContact N-OH 3.19Å; D108-Y128 PolarHBondContact OD1-OH 3.36Å; I125-Y128 WeakPolarHBondContact O-CD1 3.46Å; I125-Y128 WeakPolarHBondContact O-CE1 3.38Å; Q126-Y128 VanDerWaalsContact C-N 3.34Å; Q126-Y128 PolarHBondContact O-N 3.35Å; Y128-L131 HydrophobicContact CD2-CB 4.13Å; Y128-L131 HydrophobicContact CE2-CB 3.56Å; Y128-L131 HydrophobicContact CE2-CD2 4.33Å; Y128-L131 HydrophobicContact CE2-CG 4.46Å; Y128-F148 AromaticContact CD1-CD1 3.77Å; Y128-F148 HydrophobicContact CD1-CD1 3.77Å; Y128-F148 HydrophobicContact CD1-CE1 4.28Å; Y128-F148 HydrophobicContact CD2-CD1 4.22Å; Y128-F148 AromaticContact CE1-CD1 3.9Å; Y128-F148 HydrophobicContact CE1-CD1 3.9Å; Y128-F148 AromaticContact CE1-CE1 3.96Å; Y128-F148 HydrophobicContact CE1-CE1 3.96Å; Y128-F148 HydrophobicContact CE2-CD1 4.37Å; Y128-F148 AromaticContact CG-CD1 3.9Å; Y128-F148 HydrophobicContact CG-CD1 3.9Å; Y128-S149 CarbonylContact C-O 3.57Å; Y128-S149 WeakPolarHBondContact CA-O 3.49Å; Y128-S149 VanDerWaalsContact CB-O 3.23Å; Y128-S149 WeakPolarHBondContact CB-O 3.15Å
129	T	93.6	Very high	95	Very high	80 Å²	80	38.8 Å²	38.8	49%	0.491	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-28	-177.4	52.5	0	0	0	0	112.6	S149 N151 E156	T129-S149 PolarHBondContact N-O 3.1Å; T129-S149 WeakPolarHBondContact OG1-CB 3.46Å; T129-S149 PolarHBondContact OG1-O 2.86Å; T129-S149 VanDerWaalsContact OG1-O 3.1Å; T129-N151 HydrophobicContact CG2-CB 4.34Å; T129-E156 PolarHBondContact OG1-OE2 2.75Å
130	K	94.5	Very high	94.7	Very high	103 Å²	103	45.5 Å²	45.5	45%	0.448	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	144.8	-178.3	-175.2	-174.6	171.4	-161.2	0	110.4	E132 S149	K130-E132 WeakPolarHBondContact CE-OE1 3.4Å; K130-E132 IonicContact NZ-OE1 2.66Å; K130-E132 PolarHBondContact NZ-OE1 3.36Å; K130-S149 PolarHBondContact O-N 2.8Å
131	L	94.8	Very high	94.5	Very high	15 Å²	15	44.7 Å²	44.7	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	123	175	172.1	63.9	0	0	0	110.4	K103 D108 Y128 R146 F148	K103-L131 HydrophobicContact CB-CD2 4.47Å; K103-L131 WeakPolarHBondContact CE-O 2.96Å; K103-L131 HydrophobicContact CG-CD2 3.97Å; K103-L131 HydrophobicContact CG-CG 4.15Å; D108-L131 HydrophobicContact CB-CD2 3.59Å; Y128-L131 HydrophobicContact CD2-CB 4.13Å; Y128-L131 HydrophobicContact CE2-CB 3.56Å; Y128-L131 HydrophobicContact CE2-CD2 4.33Å; Y128-L131 HydrophobicContact CE2-CG 4.46Å; L131-R146 HydrophobicContact CD1-CB 3.88Å; L131-R146 HydrophobicContact CD1-CG 4.07Å; L131-F148 HydrophobicContact CD1-CD1 3.89Å; L131-F148 HydrophobicContact CD1-CE1 3.73Å; L131-F148 HydrophobicContact CD1-CG 4.47Å; L131-F148 HydrophobicContact CD1-CZ 4.18Å
132	E	95.1	Very high	94.4	Very high	91 Å²	91	44.7 Å²	44.7	43%	0.425	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.1	162.8	-65.3	177.9	174.9	0	0	108.6	K130 R146 N147	K130-E132 WeakPolarHBondContact CE-OE1 3.4Å; K130-E132 IonicContact NZ-OE1 2.66Å; K130-E132 PolarHBondContact NZ-OE1 3.36Å; E132-R146 VanDerWaalsContact O-CA 3.31Å; E132-R146 WeakPolarHBondContact O-CA 3.39Å; E132-N147 HydrophobicContact CB-CB 4.31Å; E132-N147 PolarHBondContact N-O 3.04Å; E132-N147 PolarHBondContact O-N 3.02Å
133	S	96.3	Very high	94.3	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139	-178.9	-60.8	0	0	0	0	109.3	M76 K145	M76-S133 WeakPolarHBondContact CB-O 3.49Å; M76-S133 PolarHBondContact N-O 2.02Å; S133-K145 CarbonylContact C-O 3.55Å; S133-K145 WeakPolarHBondContact CA-O 3.33Å
134	E	95.8	Very high	94.3	Very high	45 Å²	45	44.4 Å²	44.4	21%	0.21	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.6	178	-47.8	174	-134.9	0	0	108.3	F73 K74 V144 K145	F73-E134 HydrophobicContact CB-CB 3.69Å; F73-E134 WeakPolarHBondContact CB-OE2 3.43Å; F73-E134 HydrophobicContact CD1-CB 4.06Å; F73-E134 VanDerWaalsContact CD1-O 3.25Å; F73-E134 WeakPolarHBondContact CD1-O 3.49Å; F73-E134 HydrophobicContact CG-CB 4.19Å; K74-E134 CarbonylContact O-C 3.52Å; K74-E134 VanDerWaalsContact O-CA 3.25Å; K74-E134 WeakPolarHBondContact O-CA 3.29Å; E134-V144 CarbonylContact O-C 3.58Å; E134-V144 VanDerWaalsContact O-CA 3.27Å; E134-V144 WeakPolarHBondContact O-CA 3.22Å; E134-V144 WeakPolarHBondContact O-CG2 3.32Å; E134-K145 PolarHBondContact N-O 2.82Å; E134-K145 PolarHBondContact O-N 2.77Å
135	I	96.3	Very high	94.3	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.056	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139.2	-176.8	-63	-66.1	0	0	0	110	F73 K74 M76 Y81 F101 D137 V144	F73-I135 WeakPolarHBondContact CA-O 3.42Å; K74-I135 PolarHBondContact N-O 2.97Å; K74-I135 PolarHBondContact O-N 3.44Å; M76-I135 HydrophobicContact CB-CG1 4.07Å; M76-I135 HydrophobicContact CG-CG1 4.08Å; M76-I135 HydrophobicContact SD-CD1 4.1Å; M76-I135 HydrophobicContact SD-CG1 4.14Å; Y81-I135 HydrophobicContact CD1-CD1 4.43Å; Y81-I135 HydrophobicContact CD1-CG1 4.36Å; Y81-I135 HydrophobicContact CD1-CG2 3.97Å; Y81-I135 HydrophobicContact CD2-CG1 4.31Å; Y81-I135 HydrophobicContact CD2-CG2 4.48Å; Y81-I135 HydrophobicContact CE1-CG2 3.79Å; Y81-I135 HydrophobicContact CE2-CG2 4.31Å; Y81-I135 HydrophobicContact CG-CD1 4.38Å; Y81-I135 HydrophobicContact CG-CG1 4.04Å; Y81-I135 HydrophobicContact CG-CG2 4.33Å; F101-I135 HydrophobicContact CB-CD1 3.68Å; F101-I135 HydrophobicContact CD1-CD1 4.08Å; F101-I135 HydrophobicContact CD2-CD1 3.99Å; F101-I135 HydrophobicContact CG-CD1 3.63Å; I135-D137 HydrophobicContact CG2-CB 4.15Å; I135-V144 HydrophobicContact CD1-CB 3.97Å; I135-V144 HydrophobicContact CD1-CG2 3.86Å
136	L	95.1	Very high	94.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.7	165.9	-178.2	70	0	0	0	107.2	L69 F73 E138 L141 L142 G143 L164	L69-L136 HydrophobicContact CB-CD2 4.45Å; L69-L136 HydrophobicContact CD2-CD2 4.1Å; F73-L136 HydrophobicContact CD1-CB 3.66Å; F73-L136 HydrophobicContact CE1-CB 3.43Å; F73-L136 VanDerWaalsContact CE1-CB 3.43Å; F73-L136 HydrophobicContact CG-CB 4.37Å; F73-L136 HydrophobicContact CZ-CB 4.02Å; F73-L136 HydrophobicContact CZ-CD2 4.29Å; L136-E138 HydrophobicContact CD1-CG 3.63Å; L136-E138 HydrophobicContact CG-CG 4.07Å; L136-L141 HydrophobicContact CD2-CB 4.49Å; L136-L141 HydrophobicContact CD2-CD2 3.62Å; L136-L141 HydrophobicContact CD2-CG 3.94Å; L136-L142 CarbonylContact O-C 3.58Å; L136-L142 WeakPolarHBondContact O-CA 3.46Å; L136-L142 WeakPolarHBondContact O-CD1 3.31Å; L136-G143 PolarHBondContact N-O 3.46Å; L136-G143 PolarHBondContact O-N 3.27Å; L136-L164 HydrophobicContact CD2-CD2 4.19Å
137	D	94.4	Very high	94.6	Very high	34 Å²	34	43.3 Å²	43.3	18%	0.182	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	79.9	-177.8	-173.7	-6.7	0	0	0	108.7	Y81 I135 L142	Y81-D137 HydrophobicContact CE1-CB 4.43Å; Y81-D137 WeakPolarHBondContact CE1-OD2 3.4Å; Y81-D137 PolarHBondContact OH-OD2 2.86Å; I135-D137 HydrophobicContact CG2-CB 4.15Å; D137-L142 HydrophobicContact CB-CD1 3.75Å
138	E	93.4	Very high	95	Very high	58 Å²	58	38.2 Å²	38.2	27%	0.271	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	165.6	-178.1	-58.5	-63.8	166.6	0	0	110.3	L136 E140 L141	L136-E138 HydrophobicContact CD1-CG 3.63Å; L136-E138 HydrophobicContact CG-CG 4.07Å; E138-E140 VanDerWaalsContact C-N 3.26Å; E138-E140 PolarHBondContact O-N 3.48Å; E138-L141 WeakPolarHBondContact CA-O 3.41Å; E138-L141 HydrophobicContact CB-CB 4.49Å; E138-L141 PolarHBondContact N-O 3.34Å; E138-L141 PolarHBondContact O-N 3.14Å
139	E	91.3	Very high	95.1	Very high	138 Å²	138	38.4 Å²	38.4	65%	0.645	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-34.1	-176.4	-174.1	171.1	-172.9	0	0	113.6	F87	F87-E139 WeakPolarHBondContact CD1-O 3.11Å
140	E	91.2	Very high	95.2	Very high	141 Å²	141	34.6 Å²	34.6	66%	0.659	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.4	12.6	-179	-61.9	-169.8	155.3	0	0	113.1	E138 P167	E138-E140 VanDerWaalsContact C-N 3.26Å; E138-E140 PolarHBondContact O-N 3.48Å; E140-P167 HydrophobicContact CB-CG 4Å; E140-P167 WeakPolarHBondContact O-CD 3.4Å; E140-P167 WeakPolarHBondContact O-CG 3.41Å
141	L	93.6	Very high	95.2	Very high	10 Å²	10	33.4 Å²	33.4	5%	0.052	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	127.1	-178.7	-163.4	59.1	0	0	0	111.7	L69 L136 E138 L164	L69-L141 HydrophobicContact CD2-CD2 3.75Å; L136-L141 HydrophobicContact CD2-CB 4.49Å; L136-L141 HydrophobicContact CD2-CD2 3.62Å; L136-L141 HydrophobicContact CD2-CG 3.94Å; E138-L141 WeakPolarHBondContact CA-O 3.41Å; E138-L141 HydrophobicContact CB-CB 4.49Å; E138-L141 PolarHBondContact N-O 3.34Å; E138-L141 PolarHBondContact O-N 3.14Å; L141-L164 HydrophobicContact CD1-CB 4.15Å; L141-L164 HydrophobicContact CD2-CD2 4.34Å; L141-L164 HydrophobicContact CG-CD2 4.38Å
142	L	95.6	Very high	95.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.4	174	-175	68.4	0	0	0	109.2	P85 F87 I99 F101 L136 D137 L164 I165	P85-L142 HydrophobicContact CG-CD2 3.93Å; F87-L142 HydrophobicContact CZ-CB 4.22Å; I99-L142 HydrophobicContact CB-CD2 4.16Å; I99-L142 HydrophobicContact CD1-CD2 3.93Å; I99-L142 HydrophobicContact CG1-CD2 4.38Å; F101-L142 HydrophobicContact CE2-CD1 4.08Å; F101-L142 HydrophobicContact CE2-CD2 3.99Å; F101-L142 HydrophobicContact CE2-CG 3.96Å; F101-L142 HydrophobicContact CZ-CD1 4.29Å; F101-L142 HydrophobicContact CZ-CD2 4Å; F101-L142 HydrophobicContact CZ-CG 3.76Å; L136-L142 CarbonylContact O-C 3.58Å; L136-L142 WeakPolarHBondContact O-CA 3.46Å; L136-L142 WeakPolarHBondContact O-CD1 3.31Å; D137-L142 HydrophobicContact CB-CD1 3.75Å; L142-L164 CarbonylContact O-C 3.48Å; L142-L164 WeakPolarHBondContact O-CA 3.19Å; L142-I165 PolarHBondContact N-O 2.84Å; L142-I165 VanDerWaalsContact N-O 3.14Å; L142-I165 PolarHBondContact O-N 2.86Å
143	G	96.1	Very high	95	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	177.2	-178.6	0	0	0	0	0	115.6	L136 S163	L136-G143 PolarHBondContact N-O 3.46Å; L136-G143 PolarHBondContact O-N 3.27Å; G143-S163 CarbonylContact C-O 3.55Å; G143-S163 WeakPolarHBondContact CA-O 3.49Å
144	V	96.6	Very high	94.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	134.9	178	65.4	0	0	0	0	110.1	F101 I110 E134 I135 R146 T162 S163	F101-V144 HydrophobicContact CD1-CB 3.67Å; F101-V144 HydrophobicContact CD1-CG1 3.67Å; F101-V144 HydrophobicContact CE1-CB 4.07Å; F101-V144 HydrophobicContact CE1-CG1 4.01Å; I110-V144 HydrophobicContact CD1-CG1 3.69Å; I110-V144 HydrophobicContact CG1-CG1 4.19Å; E134-V144 CarbonylContact O-C 3.58Å; E134-V144 VanDerWaalsContact O-CA 3.27Å; E134-V144 WeakPolarHBondContact O-CA 3.22Å; E134-V144 WeakPolarHBondContact O-CG2 3.32Å; I135-V144 HydrophobicContact CD1-CB 3.97Å; I135-V144 HydrophobicContact CD1-CG2 3.86Å; V144-R146 HydrophobicContact CG2-CG 3.89Å; V144-T162 WeakPolarHBondContact O-CA 3.31Å; V144-S163 PolarHBondContact N-O 2.94Å; V144-S163 PolarHBondContact O-N 2.85Å
145	K	96.4	Very high	94.7	Very high	29 Å²	29	41.4 Å²	41.4	13%	0.126	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.7	164.5	167.1	164.7	-81.5	-164.1	0	108.3	F73 S133 E134 T160 T162 D176	F73-K145 HydrophobicContact CD1-CB 3.98Å; F73-K145 HydrophobicContact CD2-CB 4.21Å; F73-K145 HydrophobicContact CE1-CB 3.78Å; F73-K145 HydrophobicContact CE2-CB 3.96Å; F73-K145 HydrophobicContact CG-CB 4.21Å; F73-K145 HydrophobicContact CZ-CB 3.78Å; S133-K145 CarbonylContact C-O 3.55Å; S133-K145 WeakPolarHBondContact CA-O 3.33Å; E134-K145 PolarHBondContact N-O 2.82Å; E134-K145 PolarHBondContact O-N 2.77Å; K145-T160 HydrophobicContact CD-CG2 4.12Å; K145-T160 HydrophobicContact CG-CG2 4.1Å; K145-T162 HydrophobicContact CB-CG2 4.45Å; K145-T162 WeakPolarHBondContact CE-OG1 3.09Å; K145-D176 VanDerWaalsContact CE-OD1 3.27Å; K145-D176 WeakPolarHBondContact CE-OD1 3.39Å; K145-D176 IonicContact NZ-OD1 2.79Å; K145-D176 PolarHBondContact NZ-OD1 2.92Å
146	R	97	Very high	94.7	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.8	-177.6	-66.1	-170.3	172.4	140.8	-0.5	111.7	Y102 D108 L131 E132 V144 F148 T160 M161	Y102-R146 PolarHBondContact O-NH2 3.36Å; D108-R146 PolarHBondContact O-NH1 3.43Å; D108-R146 PolarHBondContact O-NH2 2.95Å; D108-R146 IonicContact OD2-CZ 3.48Å; D108-R146 IonicContact OD2-NE 2.68Å; D108-R146 IonicContact OD2-NH1 2.83Å; D108-R146 PolarHBondContact OD2-NH1 3.36Å; D108-R146 VanDerWaalsContact OD2-NH1 3.16Å; L131-R146 HydrophobicContact CD1-CB 3.88Å; L131-R146 HydrophobicContact CD1-CG 4.07Å; E132-R146 VanDerWaalsContact O-CA 3.31Å; E132-R146 WeakPolarHBondContact O-CA 3.39Å; V144-R146 HydrophobicContact CG2-CG 3.89Å; R146-F148 HydrophobicContact CB-CD2 4.23Å; R146-F148 HydrophobicContact CB-CE2 3.52Å; R146-F148 HydrophobicContact CB-CZ 3.75Å; R146-F148 HydrophobicContact CG-CZ 4.36Å; R146-T160 VanDerWaalsContact O-CA 3.24Å; R146-T160 WeakPolarHBondContact O-CA 3.38Å; R146-M161 PolarHBondContact N-O 2.86Å; R146-M161 PolarHBondContact O-N 3.15Å
147	N	96.9	Very high	94.8	Very high	33 Å²	33	47.7 Å²	47.7	18%	0.176	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.5	169.9	-59	-48.9	0	0	0	108.6	E132 T158 A159 T160	E132-N147 HydrophobicContact CB-CB 4.31Å; E132-N147 PolarHBondContact N-O 3.04Å; E132-N147 PolarHBondContact O-N 3.02Å; N147-T158 HydrophobicContact CB-CG2 4.16Å; N147-A159 CarbonylContact C-O 3.54Å; N147-A159 WeakPolarHBondContact CA-O 3.37Å; N147-T160 WeakPolarHBondContact OD1-CB 3.35Å; N147-T160 WeakPolarHBondContact OD1-CG2 3.41Å; N147-T160 PolarHBondContact OD1-OG1 3.22Å
148	F	97.1	Very high	95	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.4	178.1	-57.7	-90.9	0	0	0	109	D108 N124 I125 Y128 L131 R146 V150 T158 A159 M161	D108-F148 WeakPolarHBondContact OD2-CE1 3.41Å; N124-F148 HydrophobicContact CB-CE1 3.97Å; N124-F148 HydrophobicContact CB-CZ 3.85Å; I125-F148 HydrophobicContact CB-CD1 4.47Å; I125-F148 HydrophobicContact CB-CG 4.43Å; I125-F148 HydrophobicContact CD1-CB 4.27Å; I125-F148 HydrophobicContact CD1-CD2 4.38Å; I125-F148 HydrophobicContact CD1-CG 4.43Å; I125-F148 HydrophobicContact CG1-CD2 4.26Å; I125-F148 HydrophobicContact CG1-CG 4.29Å; Y128-F148 AromaticContact CD1-CD1 3.77Å; Y128-F148 HydrophobicContact CD1-CD1 3.77Å; Y128-F148 HydrophobicContact CD1-CE1 4.28Å; Y128-F148 HydrophobicContact CD2-CD1 4.22Å; Y128-F148 AromaticContact CE1-CD1 3.9Å; Y128-F148 HydrophobicContact CE1-CD1 3.9Å; Y128-F148 AromaticContact CE1-CE1 3.96Å; Y128-F148 HydrophobicContact CE1-CE1 3.96Å; Y128-F148 HydrophobicContact CE2-CD1 4.37Å; Y128-F148 AromaticContact CG-CD1 3.9Å; Y128-F148 HydrophobicContact CG-CD1 3.9Å; L131-F148 HydrophobicContact CD1-CD1 3.89Å; L131-F148 HydrophobicContact CD1-CE1 3.73Å; L131-F148 HydrophobicContact CD1-CG 4.47Å; L131-F148 HydrophobicContact CD1-CZ 4.18Å; R146-F148 HydrophobicContact CB-CD2 4.23Å; R146-F148 HydrophobicContact CB-CE2 3.52Å; R146-F148 HydrophobicContact CB-CZ 3.75Å; R146-F148 HydrophobicContact CG-CZ 4.36Å; F148-V150 HydrophobicContact CB-CG2 4.25Å; F148-T158 CarbonylContact O-C 3.54Å; F148-T158 VanDerWaalsContact O-CA 3.32Å; F148-T158 WeakPolarHBondContact O-CA 3.02Å; F148-A159 PolarHBondContact N-O 3.01Å; F148-A159 PolarHBondContact O-N 3.27Å; F148-M161 HydrophobicContact CE2-CB 4.28Å; F148-M161 HydrophobicContact CE2-CG 4.3Å; F148-M161 HydrophobicContact CE2-SD 4.04Å
149	S	96.9	Very high	95.2	Very high	12 Å²	12	46.3 Å²	46.3	8%	0.084	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.6	164.5	-70.4	0	0	0	0	109.1	Y128 T129 K130 E156	Y128-S149 CarbonylContact C-O 3.57Å; Y128-S149 WeakPolarHBondContact CA-O 3.49Å; Y128-S149 VanDerWaalsContact CB-O 3.23Å; Y128-S149 WeakPolarHBondContact CB-O 3.15Å; T129-S149 PolarHBondContact N-O 3.1Å; T129-S149 WeakPolarHBondContact OG1-CB 3.46Å; T129-S149 PolarHBondContact OG1-O 2.86Å; T129-S149 VanDerWaalsContact OG1-O 3.1Å; K130-S149 PolarHBondContact O-N 2.8Å; S149-E156 WeakPolarHBondContact CB-OE1 3.49Å; S149-E156 PolarHBondContact OG-OE1 2.81Å
150	V	95.7	Very high	95.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.7	-178	-173.4	0	0	0	0	108.6	I125 F148 V152 E156 V157 I182	I125-V150 HydrophobicContact CD1-CG2 4.24Å; I125-V150 HydrophobicContact CG2-CG2 3.97Å; F148-V150 HydrophobicContact CB-CG2 4.25Å; V150-V152 HydrophobicContact CG1-CG2 4.09Å; V150-V152 PolarHBondContact O-N 3.02Å; V150-E156 WeakPolarHBondContact O-CA 3.37Å; V150-V157 HydrophobicContact CB-CG2 4.15Å; V150-V157 PolarHBondContact N-O 3.14Å; V150-V157 PolarHBondContact O-N 3.2Å; V150-I182 HydrophobicContact CB-CD1 4.29Å; V150-I182 HydrophobicContact CG1-CG1 4.48Å; V150-I182 HydrophobicContact CG2-CD1 4.05Å
151	N	94.4	Very high	95.8	Very high	77 Å²	77	34 Å²	34	41%	0.412	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	121.3	171	-168.7	-62.4	0	0	0	109.6	T129 G154	T129-N151 HydrophobicContact CG2-CB 4.34Å; N151-G154 WeakPolarHBondContact OD1-CA 3.05Å; N151-G154 PolarHBondContact OD1-N 2.58Å
152	V	93.9	Very high	96	Very high	19 Å²	19	33.7 Å²	33.7	12%	0.115	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	111.6	174.9	-176.3	0	0	0	0	108.4	V150 G154 S155 V157 E181 I182	V150-V152 HydrophobicContact CG1-CG2 4.09Å; V150-V152 PolarHBondContact O-N 3.02Å; V152-G154 PolarHBondContact O-N 2.85Å; V152-G154 VanDerWaalsContact O-N 3.16Å; V152-S155 PolarHBondContact N-O 3.25Å; V152-S155 PolarHBondContact O-N 3.36Å; V152-V157 HydrophobicContact CG2-CG2 3.74Å; V152-E181 HydrophobicContact CG1-CB 3.92Å; V152-E181 WeakPolarHBondContact CG1-O 3.18Å; V152-I182 HydrophobicContact CG2-CG1 4.28Å
153	N	91.7	Very high	96.1	Very high	162 Å²	162	33.8 Å²	33.8	87%	0.866	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	37.1	178.3	-58.2	-32.1	0	0	0	113.8	S155	N153-S155 VanDerWaalsContact C-N 3.33Å
154	G	92.1	Very high	96.1	Very high	62 Å²	62	34 Å²	34	64%	0.639	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.1	-10	-179.6	0	0	0	0	0	114.8	N151 V152	N151-G154 WeakPolarHBondContact OD1-CA 3.05Å; N151-G154 PolarHBondContact OD1-N 2.58Å; V152-G154 PolarHBondContact O-N 2.85Å; V152-G154 VanDerWaalsContact O-N 3.16Å
155	S	94	Very high	96.1	Very high	79 Å²	79	34 Å²	34	55%	0.552	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.5	175.7	-63.8	0	0	0	0	110.7	V152 N153	V152-S155 PolarHBondContact N-O 3.25Å; V152-S155 PolarHBondContact O-N 3.36Å; N153-S155 VanDerWaalsContact C-N 3.33Å
156	E	95.9	Very high	96	Very high	119 Å²	119	34.6 Å²	34.6	56%	0.556	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	126.9	172.2	-172.1	170.6	106.1	0	0	110.2	T129 S149 V150	T129-E156 PolarHBondContact OG1-OE2 2.75Å; S149-E156 WeakPolarHBondContact CB-OE1 3.49Å; S149-E156 PolarHBondContact OG-OE1 2.81Å; V150-E156 WeakPolarHBondContact O-CA 3.37Å
157	V	97	Very high	95.8	Very high	25 Å²	25	36.8 Å²	36.8	15%	0.152	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.9	171.8	-59.5	0	0	0	0	109.5	V150 V152 P179 I182	V150-V157 HydrophobicContact CB-CG2 4.15Å; V150-V157 PolarHBondContact N-O 3.14Å; V150-V157 PolarHBondContact O-N 3.2Å; V152-V157 HydrophobicContact CG2-CG2 3.74Å; V157-P179 HydrophobicContact CB-CB 4.22Å; V157-P179 HydrophobicContact CB-CG 4.07Å; V157-P179 HydrophobicContact CG2-CB 4.2Å; V157-P179 HydrophobicContact CG2-CG 4.19Å; V157-I182 HydrophobicContact CG2-CD1 4.07Å; V157-I182 HydrophobicContact CG2-CG1 3.87Å
158	T	97.5	Very high	95.5	Very high	63 Å²	63	39.4 Å²	39.4	39%	0.387	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128	177.3	-57.8	0	0	0	0	110.1	N147 F148 N177 P179	N147-T158 HydrophobicContact CB-CG2 4.16Å; F148-T158 CarbonylContact O-C 3.54Å; F148-T158 VanDerWaalsContact O-CA 3.32Å; F148-T158 WeakPolarHBondContact O-CA 3.02Å; T158-N177 PolarHBondContact O-ND2 2.93Å; T158-P179 WeakPolarHBondContact O-CG 3.46Å
159	A	98.1	Very high	95.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	142.1	166.9	0	0	0	0	0	110.4	I125 N147 F148 N177 I178 I182	I125-A159 HydrophobicContact CD1-CB 3.28Å; N147-A159 CarbonylContact C-O 3.54Å; N147-A159 WeakPolarHBondContact CA-O 3.37Å; F148-A159 PolarHBondContact N-O 3.01Å; F148-A159 PolarHBondContact O-N 3.27Å; A159-N177 CarbonylContact C-O 3.46Å; A159-N177 WeakPolarHBondContact CA-O 3.49Å; A159-I178 HydrophobicContact CB-CD1 4.47Å; A159-I182 HydrophobicContact CB-CD1 3.77Å
160	T	97.7	Very high	95.3	Very high	20 Å²	20	40.6 Å²	40.6	12%	0.123	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.5	179.6	-54.2	0	0	0	0	109.8	K145 R146 N147 D176 N177	K145-T160 HydrophobicContact CD-CG2 4.12Å; K145-T160 HydrophobicContact CG-CG2 4.1Å; R146-T160 VanDerWaalsContact O-CA 3.24Å; R146-T160 WeakPolarHBondContact O-CA 3.38Å; N147-T160 WeakPolarHBondContact OD1-CB 3.35Å; N147-T160 WeakPolarHBondContact OD1-CG2 3.41Å; N147-T160 PolarHBondContact OD1-OG1 3.22Å; T160-D176 HydrophobicContact CG2-CB 3.68Å; T160-D176 PolarHBondContact O-N 2.83Å; T160-D176 VanDerWaalsContact O-N 3.07Å; T160-N177 PolarHBondContact N-O 3.31Å; T160-N177 PolarHBondContact O-N 3.43Å
161	M	97.6	Very high	95.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.2	178.6	-60.5	177.2	173.3	0	0	109.8	I125 R146 F148 Y175 I178 L187 I213	I125-M161 HydrophobicContact CD1-CE 3.89Å; I125-M161 HydrophobicContact CG1-CE 3.61Å; I125-M161 HydrophobicContact CG1-SD 4.33Å; R146-M161 PolarHBondContact N-O 2.86Å; R146-M161 PolarHBondContact O-N 3.15Å; F148-M161 HydrophobicContact CE2-CB 4.28Å; F148-M161 HydrophobicContact CE2-CG 4.3Å; F148-M161 HydrophobicContact CE2-SD 4.04Å; M161-Y175 HydrophobicContact CG-CD1 4.23Å; M161-I178 HydrophobicContact CE-CD1 3.34Å; M161-I178 HydrophobicContact CG-CD1 3.88Å; M161-I178 HydrophobicContact SD-CD1 4.46Å; M161-L187 HydrophobicContact CE-CD2 3.91Å; M161-I213 HydrophobicContact CE-CG2 4.02Å
162	T	97.1	Very high	95.5	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135	178.6	-56	0	0	0	0	110.2	F73 N123 V144 K145 L164 Y174 D176	F73-T162 HydrophobicContact CE2-CG2 4.32Å; F73-T162 HydrophobicContact CZ-CG2 3.77Å; N123-T162 PolarHBondContact ND2-O 3.27Å; V144-T162 WeakPolarHBondContact O-CA 3.31Å; K145-T162 HydrophobicContact CB-CG2 4.45Å; K145-T162 WeakPolarHBondContact CE-OG1 3.09Å; T162-L164 HydrophobicContact CG2-CD2 4.03Å; T162-L164 HydrophobicContact CG2-CG 4.09Å; T162-Y174 PolarHBondContact N-O 2.85Å; T162-Y174 PolarHBondContact O-N 3.37Å; T162-D176 WeakPolarHBondContact CB-OD2 3.35Å; T162-D176 PolarHBondContact N-OD2 3.16Å; T162-D176 PolarHBondContact OG1-OD1 2.94Å; T162-D176 PolarHBondContact OG1-OD2 3.35Å
163	S	97.6	Very high	95.7	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.028	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.9	175.4	-51.3	0	0	0	0	109.2	N123 G143 V144 S172	N123-S163 WeakPolarHBondContact CB-OG 3.27Å; N123-S163 PolarHBondContact ND2-OG 3.22Å; G143-S163 CarbonylContact C-O 3.55Å; G143-S163 WeakPolarHBondContact CA-O 3.49Å; V144-S163 PolarHBondContact N-O 2.94Å; V144-S163 PolarHBondContact O-N 2.85Å; S163-S172 CarbonylContact C-O 3.59Å; S163-S172 WeakPolarHBondContact CA-O 3.34Å
164	L	96.7	Very high	96	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.1	-177.7	-56.2	169.4	0	0	0	110.7	P67 L69 F73 L136 L141 L142 T162 M171 S172	P67-L164 HydrophobicContact CB-CD1 3.88Å; P67-L164 HydrophobicContact CG-CD1 4.1Å; L69-L164 HydrophobicContact CD2-CD1 3.6Å; L69-L164 HydrophobicContact CD2-CD2 3.83Å; L69-L164 HydrophobicContact CD2-CG 4.38Å; F73-L164 HydrophobicContact CZ-CD2 4.31Å; L136-L164 HydrophobicContact CD2-CD2 4.19Å; L141-L164 HydrophobicContact CD1-CB 4.15Å; L141-L164 HydrophobicContact CD2-CD2 4.34Å; L141-L164 HydrophobicContact CG-CD2 4.38Å; L142-L164 CarbonylContact O-C 3.48Å; L142-L164 WeakPolarHBondContact O-CA 3.19Å; T162-L164 HydrophobicContact CG2-CD2 4.03Å; T162-L164 HydrophobicContact CG2-CG 4.09Å; L164-M171 CarbonylContact O-C 3.58Å; L164-M171 WeakPolarHBondContact O-CA 3.41Å; L164-S172 PolarHBondContact N-O 3.49Å; L164-S172 PolarHBondContact O-N 2.88Å
165	I	96.9	Very high	96.3	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.015	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.5	178.6	-54.9	177	0	0	0	107.4	F87 F89 I99 I121 L142 M171	F87-I165 HydrophobicContact CE2-CG2 4.3Å; F87-I165 HydrophobicContact CZ-CG2 4.43Å; F89-I165 HydrophobicContact CE1-CG2 4.06Å; F89-I165 HydrophobicContact CE2-CG2 4.06Å; F89-I165 HydrophobicContact CZ-CG2 3.66Å; I99-I165 HydrophobicContact CD1-CD1 3.42Å; I99-I165 VanDerWaalsContact CD1-CD1 3.42Å; I99-I165 HydrophobicContact CD1-CG2 4.41Å; I99-I165 HydrophobicContact CG2-CD1 4.15Å; I121-I165 HydrophobicContact CD1-CD1 3.77Å; I121-I165 HydrophobicContact CD1-CG1 4.21Å; L142-I165 PolarHBondContact N-O 2.84Å; L142-I165 VanDerWaalsContact N-O 3.14Å; L142-I165 PolarHBondContact O-N 2.86Å; I165-M171 HydrophobicContact CG1-CG 4.44Å
166	H	94.7	Very high	96.4	Very high	41 Å²	41	24.1 Å²	24.1	19%	0.19	13%	0.128	C	C	.	.			trans	-101.3	161.5	-173.8	-61.7	-99.3	0	0	0	111.5	N168 G169 K170 S172	H166-N168 PolarHBondContact O-N 2.66Å; H166-N168 VanDerWaalsContact O-N 3.15Å; H166-G169 PolarHBondContact O-N 3.02Å; H166-K170 HydrophobicContact CB-CB 4.21Å; H166-K170 PolarHBondContact CD2-O 2.75Å; H166-K170 VanDerWaalsContact CD2-O 3.31Å; H166-K170 PolarHBondContact N-O 2.68Å; H166-S172 PolarHBondContact NE2-OG 2.85Å; H166-S172 VanDerWaalsContact NE2-OG 3.15Å
167	P	93.4	Very high	96.5	Very high	48 Å²	48	21.8 Å²	21.8	31%	0.312	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.6	-176.8	-29.6	38.5	0	0	0	115.3	F87 E140 G169	F87-P167 HydrophobicContact CB-CB 3.89Å; F87-P167 HydrophobicContact CB-CG 4.34Å; F87-P167 HydrophobicContact CD1-CB 4.39Å; F87-P167 HydrophobicContact CD1-CG 4.03Å; F87-P167 VanDerWaalsContact CD2-CA 3.46Å; F87-P167 HydrophobicContact CD2-CB 4.24Å; F87-P167 HydrophobicContact CE1-CG 4.45Å; F87-P167 HydrophobicContact CG-CB 3.93Å; F87-P167 HydrophobicContact CG-CG 4.08Å; E140-P167 HydrophobicContact CB-CG 4Å; E140-P167 WeakPolarHBondContact O-CD 3.4Å; E140-P167 WeakPolarHBondContact O-CG 3.41Å; P167-G169 PolarHBondContact O-N 2.84Å
168	N	90.4	Very high	96.6	Very high	87 Å²	87	21.1 Å²	21.1	47%	0.465	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	6.7	176.8	66.4	-5.7	0	0	0	113.6	H166 K170	H166-N168 PolarHBondContact O-N 2.66Å; H166-N168 VanDerWaalsContact O-N 3.15Å; N168-K170 PolarHBondContact O-N 2.62Å; N168-K170 WeakPolarHBondContact OD1-CB 3.42Å; N168-K170 PolarHBondContact OD1-N 3.16Å
169	G	93.5	Very high	96.5	Very high	1 Å²	1	19 Å²	19	1%	0.01	10%	0.102	C	C	.	.	S	Bend	trans	77.3	5.4	-176.3	0	0	0	0	0	114.5	F89 H166 P167	F89-G169 VanDerWaalsContact CD2-CA 3.47Å; H166-G169 PolarHBondContact O-N 3.02Å; P167-G169 PolarHBondContact O-N 2.84Å
170	K	95.1	Very high	96.5	Very high	37 Å²	37	25.4 Å²	25.4	16%	0.161	14%	0.141	C	C	.	.			trans	-63.1	136	169.3	-175.2	178	69.3	164.6	0	109.1	H166 N168 E220 F221	H166-K170 HydrophobicContact CB-CB 4.21Å; H166-K170 PolarHBondContact CD2-O 2.75Å; H166-K170 VanDerWaalsContact CD2-O 3.31Å; H166-K170 PolarHBondContact N-O 2.68Å; N168-K170 PolarHBondContact O-N 2.62Å; N168-K170 WeakPolarHBondContact OD1-CB 3.42Å; N168-K170 PolarHBondContact OD1-N 3.16Å; K170-E220 HydrophobicContact CD-CB 4.46Å; K170-E220 WeakPolarHBondContact CD-OE1 3.45Å; K170-E220 WeakPolarHBondContact CE-OE1 3.32Å; K170-E220 IonicContact NZ-OE1 3.22Å; K170-E220 PolarHBondContact NZ-OE1 3Å; K170-F221 WeakPolarHBondContact CA-O 3.11Å; K170-F221 WeakPolarHBondContact CG-O 3.37Å
171	M	97.3	Very high	96.3	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.8	174.5	-63.5	164.6	-76	0	0	108.8	Y56 Y91 I121 L164 I165 I191 E220 F221	Y56-M171 HydrophobicContact CD1-CE 4.08Å; Y56-M171 HydrophobicContact CE1-CE 3.41Å; Y56-M171 VanDerWaalsContact CE1-CE 3.41Å; Y91-M171 HydrophobicContact CD2-CE 4.22Å; Y91-M171 HydrophobicContact CD2-SD 3.93Å; Y91-M171 HydrophobicContact CE2-CE 3.97Å; Y91-M171 HydrophobicContact CE2-SD 3.56Å; Y91-M171 VanDerWaalsContact CE2-SD 3.56Å; I121-M171 HydrophobicContact CD1-CG 4.1Å; I121-M171 HydrophobicContact CD1-SD 3.49Å; I121-M171 WeakPolarHBondContact CD1-SD 3.35Å; I121-M171 HydrophobicContact CG1-SD 3.87Å; L164-M171 CarbonylContact O-C 3.58Å; L164-M171 WeakPolarHBondContact O-CA 3.41Å; I165-M171 HydrophobicContact CG1-CG 4.44Å; M171-I191 HydrophobicContact CE-CD1 3.82Å; M171-I191 HydrophobicContact CE-CG2 4.22Å; M171-I191 HydrophobicContact SD-CG2 4.09Å; M171-E220 CarbonylContact O-C 3.54Å; M171-E220 WeakPolarHBondContact O-CA 2.97Å; M171-F221 HydrophobicContact CB-CB 4.35Å; M171-F221 HydrophobicContact CB-CD2 4.4Å; M171-F221 HydrophobicContact CE-CB 3.96Å; M171-F221 PolarHBondContact N-O 3.11Å; M171-F221 PolarHBondContact O-N 2.46Å
172	S	97.1	Very high	96.3	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.028	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.6	-179.8	-59.5	0	0	0	0	109.8	S163 L164 H166 V219	S163-S172 CarbonylContact C-O 3.59Å; S163-S172 WeakPolarHBondContact CA-O 3.34Å; L164-S172 PolarHBondContact N-O 3.49Å; L164-S172 PolarHBondContact O-N 2.88Å; H166-S172 PolarHBondContact NE2-OG 2.85Å; H166-S172 VanDerWaalsContact NE2-OG 3.15Å; S172-V219 CarbonylContact C-O 3.54Å; S172-V219 VanDerWaalsContact CA-O 3.29Å; S172-V219 WeakPolarHBondContact CA-O 3.47Å
173	L	98.2	Very high	96.2	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.3	169.8	-48.3	-174.8	0	0	0	107.9	I121 N123 Y175 V219 F221	I121-L173 HydrophobicContact CG2-CD2 3.86Å; N123-L173 HydrophobicContact CB-CD1 4.25Å; N123-L173 HydrophobicContact CB-CD2 4.09Å; L173-Y175 HydrophobicContact CB-CE1 4.35Å; L173-V219 HydrophobicContact CB-CB 4.23Å; L173-V219 PolarHBondContact N-O 2.03Å; L173-V219 PolarHBondContact O-N 3.18Å; L173-F221 HydrophobicContact CD1-CE2 3.83Å; L173-F221 HydrophobicContact CG-CE2 4.1Å
174	Y	98.1	Very high	96.1	Very high	17 Å²	17	40.2 Å²	40.2	7%	0.067	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.3	178	-177.9	-109	0	0	0	109.7	Q64 Q66 P67 T162 D176 T217 L218	Q64-Y174 HydrophobicContact CB-CE2 4.42Å; Q64-Y174 PolarHBondContact O-OH 3.39Å; Q66-Y174 HydrophobicContact CB-CE1 3.85Å; Q66-Y174 HydrophobicContact CG-CD1 4.2Å; Q66-Y174 HydrophobicContact CG-CE1 3.91Å; Q66-Y174 PolarHBondContact N-OH 3.2Å; P67-Y174 HydrophobicContact CG-CG 4.21Å; T162-Y174 PolarHBondContact N-O 2.85Å; T162-Y174 PolarHBondContact O-N 3.37Å; Y174-D176 HydrophobicContact CD1-CB 4.25Å; Y174-D176 VanDerWaalsContact CD1-CG 3.48Å; Y174-D176 WeakPolarHBondContact CD1-OD2 3.32Å; Y174-D176 HydrophobicContact CE1-CB 4.02Å; Y174-T217 WeakPolarHBondContact CD2-O 3.45Å; Y174-L218 HydrophobicContact CD2-CB 4.17Å; Y174-L218 HydrophobicContact CD2-CD1 4.32Å
175	Y	98.3	Very high	96	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	90	178.2	-49.7	-45.1	0	0	0	108.7	N123 M161 L173 I178 S189 I213 K214 S215 G216 T217 V219	N123-Y175 VanDerWaalsContact OD1-CE1 3.31Å; N123-Y175 WeakPolarHBondContact OD1-CE1 3.25Å; M161-Y175 HydrophobicContact CG-CD1 4.23Å; L173-Y175 HydrophobicContact CB-CE1 4.35Å; Y175-I178 HydrophobicContact CG-CG1 4.38Å; Y175-S189 WeakPolarHBondContact CE1-OG 3.32Å; Y175-S189 VanDerWaalsContact OH-CB 3.24Å; Y175-S189 WeakPolarHBondContact OH-CB 3.35Å; Y175-S189 PolarHBondContact OH-OG 2.83Å; Y175-I213 HydrophobicContact CD1-CG2 4.01Å; Y175-I213 HydrophobicContact CD2-CB 4.27Å; Y175-I213 HydrophobicContact CD2-CG2 3.97Å; Y175-I213 HydrophobicContact CE1-CG2 3.97Å; Y175-I213 HydrophobicContact CE2-CB 4.02Å; Y175-I213 HydrophobicContact CE2-CG1 3.93Å; Y175-I213 HydrophobicContact CE2-CG2 4Å; Y175-I213 HydrophobicContact CG-CG2 4.03Å; Y175-K214 WeakPolarHBondContact CB-O 2.98Å; Y175-S215 CarbonylContact O-C 3.55Å; Y175-S215 WeakPolarHBondContact O-CA 3.38Å; Y175-G216 PolarHBondContact O-N 3.15Å; Y175-T217 HydrophobicContact CD2-CG2 4.25Å; Y175-T217 HydrophobicContact CE2-CG2 4.21Å; Y175-T217 PolarHBondContact N-O 3.3Å; Y175-V219 HydrophobicContact CE2-CG2 3.93Å; Y175-V219 WeakPolarHBondContact OH-CG2 3.48Å
176	D	97.2	Very high	95.9	Very high	29 Å²	29	46.7 Å²	46.7	16%	0.155	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	-49.1	-176.8	-58.8	-113.6	0	0	0	111.7	K145 T160 T162 Y174	K145-D176 VanDerWaalsContact CE-OD1 3.27Å; K145-D176 WeakPolarHBondContact CE-OD1 3.39Å; K145-D176 IonicContact NZ-OD1 2.79Å; K145-D176 PolarHBondContact NZ-OD1 2.92Å; T160-D176 HydrophobicContact CG2-CB 3.68Å; T160-D176 PolarHBondContact O-N 2.83Å; T160-D176 VanDerWaalsContact O-N 3.07Å; T162-D176 WeakPolarHBondContact CB-OD2 3.35Å; T162-D176 PolarHBondContact N-OD2 3.16Å; T162-D176 PolarHBondContact OG1-OD1 2.94Å; T162-D176 PolarHBondContact OG1-OD2 3.35Å; Y174-D176 HydrophobicContact CD1-CB 4.25Å; Y174-D176 VanDerWaalsContact CD1-CG 3.48Å; Y174-D176 WeakPolarHBondContact CD1-OD2 3.32Å; Y174-D176 HydrophobicContact CE1-CB 4.02Å
177	N	97.3	Very high	96.1	Very high	70 Å²	70	45.4 Å²	45.4	37%	0.374	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	115.9	179	179.6	50.8	0	0	0	110.8	T158 A159 T160	T158-N177 PolarHBondContact O-ND2 2.93Å; A159-N177 CarbonylContact C-O 3.46Å; A159-N177 WeakPolarHBondContact CA-O 3.49Å; T160-N177 PolarHBondContact N-O 3.31Å; T160-N177 PolarHBondContact O-N 3.43Å
178	I	97.9	Very high	96.2	Very high	11 Å²	11	47.7 Å²	47.7	6%	0.056	24%	0.239	C	C	.	.			trans	-121.9	99.8	174.6	-50.9	-61.8	0	0	0	108.2	A159 M161 Y175 T180 L187 I213 S215	A159-I178 HydrophobicContact CB-CD1 4.47Å; M161-I178 HydrophobicContact CE-CD1 3.34Å; M161-I178 HydrophobicContact CG-CD1 3.88Å; M161-I178 HydrophobicContact SD-CD1 4.46Å; Y175-I178 HydrophobicContact CG-CG1 4.38Å; I178-T180 PolarHBondContact O-N 3.12Å; I178-L187 HydrophobicContact CG2-CD1 3.96Å; I178-L187 HydrophobicContact CG2-CD2 4.07Å; I178-I213 HydrophobicContact CD1-CG2 4.31Å; I178-I213 HydrophobicContact CG1-CG2 4.34Å; I178-S215 PolarHBondContact N-OG 2.85Å; I178-S215 PolarHBondContact O-OG 3.03Å
179	P	97.4	Very high	96.6	Very high	17 Å²	17	43.8 Å²	43.8	11%	0.11	22%	0.218	C	C	.	.			trans	-55.1	133.8	172.1	-24	32.8	0	0	0	111.2	V157 T158 E181 I182	V157-P179 HydrophobicContact CB-CB 4.22Å; V157-P179 HydrophobicContact CB-CG 4.07Å; V157-P179 HydrophobicContact CG2-CB 4.2Å; V157-P179 HydrophobicContact CG2-CG 4.19Å; T158-P179 WeakPolarHBondContact O-CG 3.46Å; P179-E181 VanDerWaalsContact CB-OE2 3.32Å; P179-E181 WeakPolarHBondContact CB-OE2 3.4Å; P179-E181 PolarHBondContact O-N 3.4Å; P179-I182 HydrophobicContact CB-CD1 4.32Å; P179-I182 HydrophobicContact CB-CG1 4.28Å; P179-I182 HydrophobicContact CG-CD1 4.18Å; P179-I182 PolarHBondContact O-N 2.63Å
180	T	96.1	Very high	96.8	Very high	135 Å²	135	44.4 Å²	44.4	83%	0.828	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.8	-177.5	48.8	0	0	0	0	113.9	I178 I182	I178-T180 PolarHBondContact O-N 3.12Å; T180-I182 VanDerWaalsContact C-N 3.26Å
181	E	95.4	Very high	96.9	Very high	108 Å²	108	42.6 Å²	42.6	51%	0.505	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.9	178.6	-55	89.6	150.4	0	0	111.7	V152 P179 E183	V152-E181 HydrophobicContact CG1-CB 3.92Å; V152-E181 WeakPolarHBondContact CG1-O 3.18Å; P179-E181 VanDerWaalsContact CB-OE2 3.32Å; P179-E181 WeakPolarHBondContact CB-OE2 3.4Å; P179-E181 PolarHBondContact O-N 3.4Å; E181-E183 PolarHBondContact O-N 2.94Å
182	I	96.1	Very high	96.9	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.041	22%	0.218	C	C	.	.	S	Bend	trans	-74.7	121	174	-58.7	177.7	0	0	0	108.9	I125 V150 V152 V157 A159 P179 T180 K186 L187	I125-I182 HydrophobicContact CD1-CD1 3.86Å; I125-I182 HydrophobicContact CG2-CG2 4.22Å; V150-I182 HydrophobicContact CB-CD1 4.29Å; V150-I182 HydrophobicContact CG1-CG1 4.48Å; V150-I182 HydrophobicContact CG2-CD1 4.05Å; V152-I182 HydrophobicContact CG2-CG1 4.28Å; V157-I182 HydrophobicContact CG2-CD1 4.07Å; V157-I182 HydrophobicContact CG2-CG1 3.87Å; A159-I182 HydrophobicContact CB-CD1 3.77Å; P179-I182 HydrophobicContact CB-CD1 4.32Å; P179-I182 HydrophobicContact CB-CG1 4.28Å; P179-I182 HydrophobicContact CG-CD1 4.18Å; P179-I182 PolarHBondContact O-N 2.63Å; T180-I182 VanDerWaalsContact C-N 3.26Å; I182-K186 HydrophobicContact CG2-CB 4.25Å; I182-L187 HydrophobicContact CG2-CD2 3.85Å; I182-L187 HydrophobicContact CG2-CG 4.23Å
183	E	95.5	Very high	96.9	Very high	107 Å²	107	43.5 Å²	43.5	50%	0.5	22%	0.216	S	C	.	.			trans	-60.4	136.9	177.6	-61.9	176	171.5	0	0	111.7	E181 N185 K186	E181-E183 PolarHBondContact O-N 2.94Å; E183-N185 WeakPolarHBondContact CB-OD1 3.48Å; E183-N185 PolarHBondContact O-N 2.9Å; E183-N185 VanDerWaalsContact O-N 3.16Å; E183-N185 PolarHBondContact OE2-OD1 3.39Å; E183-K186 HydrophobicContact CB-CG 4.42Å; E183-K186 WeakPolarHBondContact O-CB 3.32Å; E183-K186 PolarHBondContact O-N 2.92Å
184	Q	95.7	Very high	96.7	Very high	115 Å²	115	47.8 Å²	47.8	54%	0.537	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-58.5	-31.3	-177	-76	-175.8	12.1	0	0	113.9	K186 L187 A210	Q184-K186 PolarHBondContact O-N 2.83Å; Q184-L187 PolarHBondContact O-N 2.83Å; Q184-A210 HydrophobicContact CB-CB 3.76Å; Q184-A210 HydrophobicContact CG-CB 4.19Å; Q184-A210 WeakPolarHBondContact O-CB 3.48Å
185	N	94.5	Very high	96.4	Very high	109 Å²	109	47.4 Å²	47.4	58%	0.583	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-66.6	-18.9	177.7	62.4	-7.6	0	0	0	113.2	E183	E183-N185 WeakPolarHBondContact CB-OD1 3.48Å; E183-N185 PolarHBondContact O-N 2.9Å; E183-N185 VanDerWaalsContact O-N 3.16Å; E183-N185 PolarHBondContact OE2-OD1 3.39Å
186	K	95.5	Very high	96	Very high	34 Å²	34	50.2 Å²	50.2	15%	0.148	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-84.5	-20	175.6	-61.5	-177.1	-176.8	179.8	0	112.2	I125 Q126 I182 E183 Q184	I125-K186 CarbonylContact C-O 3.5Å; I125-K186 VanDerWaalsContact CA-O 3.26Å; I125-K186 WeakPolarHBondContact CA-O 3.34Å; I125-K186 HydrophobicContact CG2-CB 4Å; Q126-K186 HydrophobicContact CB-CB 4.44Å; Q126-K186 PolarHBondContact N-O 2.97Å; I182-K186 HydrophobicContact CG2-CB 4.25Å; E183-K186 HydrophobicContact CB-CG 4.42Å; E183-K186 WeakPolarHBondContact O-CB 3.32Å; E183-K186 PolarHBondContact O-N 2.92Å; Q184-K186 PolarHBondContact O-N 2.83Å
187	L	97.2	Very high	95.5	Very high	13 Å²	13	49.9 Å²	49.9	7%	0.068	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	122	-176.9	-60	174	0	0	0	109.9	I125 M161 I178 I182 Q184 I213	I125-L187 HydrophobicContact CD1-CD2 3.87Å; I125-L187 HydrophobicContact CG1-CD2 3.95Å; M161-L187 HydrophobicContact CE-CD2 3.91Å; I178-L187 HydrophobicContact CG2-CD1 3.96Å; I178-L187 HydrophobicContact CG2-CD2 4.07Å; I182-L187 HydrophobicContact CG2-CD2 3.85Å; I182-L187 HydrophobicContact CG2-CG 4.23Å; Q184-L187 PolarHBondContact O-N 2.83Å; L187-I213 HydrophobicContact CB-CB 4.27Å; L187-I213 HydrophobicContact CB-CD1 3.84Å; L187-I213 HydrophobicContact CB-CG2 4.08Å; L187-I213 HydrophobicContact CD1-CB 4.03Å; L187-I213 HydrophobicContact CD1-CG2 3.96Å; L187-I213 HydrophobicContact CD2-CG2 4.27Å; L187-I213 HydrophobicContact CG-CG2 4.33Å
188	R	96.8	Very high	95	Very high	97 Å²	97	54.3 Å²	54.3	37%	0.366	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	119.7	179.9	-64.6	-175.7	70.8	-151	4.3	110.7	V122 N123 N124 Q126	V122-R188 HydrophobicContact CG1-CB 4.22Å; N123-R188 WeakPolarHBondContact CA-O 3.37Å; N124-R188 PolarHBondContact N-O 2.89Å; N124-R188 PolarHBondContact O-N 2.84Å; N124-R188 VanDerWaalsContact O-O 3.12Å; Q126-R188 HydrophobicContact CG-CG 4.37Å
189	S	98.2	Very high	94.4	Very high	4 Å²	4	60.9 Å²	60.9	3%	0.028	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	125	169.9	-52.6	0	0	0	0	109.2	V122 N123 Y175 V208	V122-S189 CarbonylContact O-C 3.47Å; V122-S189 WeakPolarHBondContact O-CA 3.27Å; N123-S189 PolarHBondContact OD1-OG 2.79Å; Y175-S189 WeakPolarHBondContact CE1-OG 3.32Å; Y175-S189 VanDerWaalsContact OH-CB 3.24Å; Y175-S189 WeakPolarHBondContact OH-CB 3.35Å; Y175-S189 PolarHBondContact OH-OG 2.83Å; S189-V208 WeakPolarHBondContact O-CB 3.36Å; S189-V208 PolarHBondContact O-N 3.27Å
190	L	97.8	Very high	93.9	Very high	14 Å²	14	62.1 Å²	62.1	7%	0.073	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	163.4	177.6	64.8	80.6	0	0	0	111	V122 I206	V122-L190 HydrophobicContact CB-CD1 4.12Å; V122-L190 HydrophobicContact CB-CG 3.94Å; V122-L190 HydrophobicContact CG2-CD1 3.72Å; V122-L190 HydrophobicContact CG2-CG 4.02Å; V122-L190 PolarHBondContact N-O 2.86Å; V122-L190 PolarHBondContact O-N 2.84Å; L190-I206 VanDerWaalsContact CA-O 3.27Å; L190-I206 WeakPolarHBondContact CA-O 3.13Å; L190-I206 WeakPolarHBondContact CB-O 3.25Å
191	I	98	Very high	93.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135	157.8	59.1	170.1	0	0	0	109.1	Y56 Y92 I121 M171 E205 I206 F221	Y56-I191 HydrophobicContact CD1-CD1 4.09Å; Y56-I191 HydrophobicContact CD2-CD1 4.02Å; Y56-I191 HydrophobicContact CE1-CD1 4.36Å; Y56-I191 HydrophobicContact CE2-CD1 4.3Å; Y56-I191 HydrophobicContact CG-CD1 3.92Å; Y92-I191 HydrophobicContact CE2-CD1 4.41Å; I121-I191 HydrophobicContact CG1-CG2 4.16Å; I121-I191 HydrophobicContact CG2-CG2 4.21Å; M171-I191 HydrophobicContact CE-CD1 3.82Å; M171-I191 HydrophobicContact CE-CG2 4.22Å; M171-I191 HydrophobicContact SD-CG2 4.09Å; I191-E205 CarbonylContact O-C 3.56Å; I191-E205 WeakPolarHBondContact O-CA 3.08Å; I191-I206 HydrophobicContact CD1-CD1 3.83Å; I191-I206 HydrophobicContact CG1-CB 3.83Å; I191-I206 HydrophobicContact CG1-CD1 4.01Å; I191-I206 HydrophobicContact CG1-CG1 4.24Å; I191-I206 PolarHBondContact N-O 3.23Å; I191-I206 PolarHBondContact O-N 2.64Å; I191-F221 HydrophobicContact CD1-CB 3.93Å; I191-F221 HydrophobicContact CD1-CD1 3.65Å; I191-F221 HydrophobicContact CD1-CD2 4.41Å; I191-F221 HydrophobicContact CD1-CE1 4.25Å; I191-F221 HydrophobicContact CD1-CG 3.73Å; I191-F221 HydrophobicContact CG1-CD1 3.95Å; I191-F221 HydrophobicContact CG1-CE1 4.03Å; I191-F221 HydrophobicContact CG1-CG 4.22Å; I191-F221 HydrophobicContact CG1-CZ 4.36Å; I191-F221 HydrophobicContact CG2-CD2 3.85Å; I191-F221 HydrophobicContact CG2-CE2 3.92Å; I191-F221 HydrophobicContact CG2-CG 4.24Å; I191-F221 HydrophobicContact CG2-CZ 4.37Å
192	Y	97.1	Very high	93.4	Very high	25 Å²	25	59.2 Å²	59.2	10%	0.098	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.1	-179.1	159.2	-105.7	0	0	0	108.7	Y91 H117 G119 D120 R194 D203 H204 E205	Y91-Y192 WeakPolarHBondContact CE1-O 3.34Å; Y91-Y192 PolarHBondContact OH-N 3.21Å; Y91-Y192 PolarHBondContact OH-O 2.83Å; H117-Y192 AromaticContact CE1-CE1 3.97Å; G119-Y192 CarbonylContact C-O 3.56Å; G119-Y192 WeakPolarHBondContact CA-O 3.31Å; D120-Y192 HydrophobicContact CB-CD1 4Å; D120-Y192 PolarHBondContact N-O 3.29Å; D120-Y192 PolarHBondContact O-N 3.2Å; D120-Y192 VanDerWaalsContact OD2-CD1 3.31Å; D120-Y192 WeakPolarHBondContact OD2-CD1 3.48Å; Y192-R194 HydrophobicContact CE1-CB 4.23Å; Y192-D203 HydrophobicContact CE2-CB 3.69Å; Y192-D203 WeakPolarHBondContact CE2-OD1 3.49Å; Y192-D203 PolarHBondContact OH-OD1 3.24Å; Y192-H204 CarbonylContact C-O 3.58Å; Y192-H204 WeakPolarHBondContact CA-O 3.36Å; Y192-E205 HydrophobicContact CD2-CG 3.85Å
193	G	96	Very high	93.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.5	175	0	0	0	0	0	112	Y92 I195 D203 H204	Y92-G193 VanDerWaalsContact CD2-CA 3.44Å; Y92-G193 VanDerWaalsContact CE2-CA 3.41Å; G193-I195 WeakPolarHBondContact O-CD1 3.27Å; G193-D203 WeakPolarHBondContact O-CA 3.47Å; G193-H204 PolarHBondContact N-O 3.48Å; G193-H204 PolarHBondContact O-N 3.44Å
194	R	94.8	Very high	93.1	Very high	91 Å²	91	56.7 Å²	56.7	34%	0.343	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	96.2	170.5	-169.1	-175.7	-173.9	101.9	-1.9	109.6	L118 Y192 H201	L118-R194 PolarHBondContact O-N 2.9Å; Y192-R194 HydrophobicContact CE1-CB 4.23Å; R194-H201 HydrophobicContact CG-CB 4.2Å; R194-H201 PolarHBondContact NH2-CE1 2.92Å; R194-H201 PolarHBondContact NH2-NE2 3.28Å; R194-H201 VanDerWaalsContact NH2-NE2 3.13Å
195	I	91.8	Very high	93.1	Very high	9 Å²	9	56.2 Å²	56.2	5%	0.046	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121.7	-174.7	-58.1	96	0	0	0	110.2	C26 I29 Y92 G193 H201 R202 H204	C26-I195 VanDerWaalsContact O-CG2 3.27Å; C26-I195 WeakPolarHBondContact O-CG2 3.36Å; I29-I195 HydrophobicContact CG2-CB 4.24Å; I29-I195 HydrophobicContact CG2-CD1 4.42Å; I29-I195 HydrophobicContact CG2-CG1 4.38Å; I29-I195 HydrophobicContact CG2-CG2 4.04Å; Y92-I195 HydrophobicContact CD1-CD1 3.99Å; Y92-I195 HydrophobicContact CD1-CG1 4.3Å; G193-I195 WeakPolarHBondContact O-CD1 3.27Å; I195-H201 CarbonylContact O-C 3.47Å; I195-H201 WeakPolarHBondContact O-CA 3.2Å; I195-H201 WeakPolarHBondContact O-CB 3.13Å; I195-R202 WeakPolarHBondContact CD1-O 3.13Å; I195-R202 PolarHBondContact N-O 3.15Å; I195-R202 PolarHBondContact O-N 3.48Å; I195-H204 HydrophobicContact CD1-CB 3.94Å
196	A	89.1	Confident	93.3	Very high	59 Å²	59	51 Å²	51	49%	0.488	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	135.6	175	0	0	0	0	0	111.6	N27	N27-A196 PolarHBondContact OD1-O 3.25Å
197	C	87.7	Confident	93.3	Very high	22 Å²	22	53.2 Å²	53.2	15%	0.149	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	164	178.4	-60.1	0	0	0	0	110.1	C30 N199 G200 R202	C30-C197 HydrophobicContact CB-CB 3.67Å; C30-C197 WeakPolarHBondContact CB-SG 3.4Å; C30-C197 WeakPolarHBondContact SG-CA 3.36Å; C30-C197 WeakPolarHBondContact SG-CB 3.43Å; C30-C197 CovalentContact SG-SG 2.02Å; C30-C197 PolarHBondContact SG-SG 2.89Å; C197-N199 PolarHBondContact O-N 2.83Å; C197-G200 PolarHBondContact N-O 2.89Å; C197-G200 PolarHBondContact O-N 2.8Å; C197-R202 WeakPolarHBondContact SG-CG 3.18Å
198	E	86.3	Confident	93.4	Very high	162 Å²	162	53 Å²	53	76%	0.757	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-36.8	176.5	-69.3	171.1	-164.1	0	0	112.5
199	N	84.9	Confident	93.4	Very high	149 Å²	149	51.1 Å²	51.1	80%	0.797	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	47	-179.1	-64.5	-31	0	0	0	112.4	C197	C197-N199 PolarHBondContact O-N 2.83Å
200	G	88.5	Confident	93.3	Very high	44 Å²	44	51.9 Å²	51.9	45%	0.454	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	113.1	-127.7	175.6	0	0	0	0	0	113.1	C197	C197-G200 PolarHBondContact N-O 2.89Å; C197-G200 PolarHBondContact O-N 2.8Å
201	H	89.3	Confident	93.2	Very high	73 Å²	73	55.2 Å²	55.2	34%	0.338	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	162.4	178.2	56.8	-71.7	0	0	0	111.5	R194 I195 D203	R194-H201 HydrophobicContact CG-CB 4.2Å; R194-H201 PolarHBondContact NH2-CE1 2.92Å; R194-H201 PolarHBondContact NH2-NE2 3.28Å; R194-H201 VanDerWaalsContact NH2-NE2 3.13Å; I195-H201 CarbonylContact O-C 3.47Å; I195-H201 WeakPolarHBondContact O-CA 3.2Å; I195-H201 WeakPolarHBondContact O-CB 3.13Å; H201-D203 IonicContact CD2-OD1 3.64Å; H201-D203 PolarHBondContact CD2-OD1 2.77Å; H201-D203 IonicContact CD2-OD2 3.24Å
202	R	90.8	Very high	93.2	Very high	109 Å²	109	55.6 Å²	55.6	41%	0.411	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.7	167.1	-70	-67	178.4	-88.3	-0.1	108.7	I29 I195 C197	I29-R202 HydrophobicContact CG1-CB 4.39Å; I29-R202 HydrophobicContact CG2-CB 4.2Å; I195-R202 WeakPolarHBondContact CD1-O 3.13Å; I195-R202 PolarHBondContact N-O 3.15Å; I195-R202 PolarHBondContact O-N 3.48Å; C197-R202 WeakPolarHBondContact SG-CG 3.18Å
203	D	91.7	Very high	93.3	Very high	60 Å²	60	54.6 Å²	54.6	32%	0.321	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	140.1	-179.6	-68.9	-33.6	0	0	0	109.1	Y192 G193 H201	Y192-D203 HydrophobicContact CE2-CB 3.69Å; Y192-D203 WeakPolarHBondContact CE2-OD1 3.49Å; Y192-D203 PolarHBondContact OH-OD1 3.24Å; G193-D203 WeakPolarHBondContact O-CA 3.47Å; H201-D203 IonicContact CD2-OD1 3.64Å; H201-D203 PolarHBondContact CD2-OD1 2.77Å; H201-D203 IonicContact CD2-OD2 3.24Å
204	H	94.4	Very high	93.4	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.009	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.5	174.9	-176.7	-76	0	0	0	109.5	I29 L35 R36 Y54 Y92 Y192 G193 I195 I206	I29-H204 HydrophobicContact CD1-CB 3.95Å; L35-H204 PolarHBondContact O-CD2 3.37Å; R36-H204 PolarHBondContact O-CD2 2.79Å; R36-H204 VanDerWaalsContact O-CD2 3.3Å; R36-H204 PolarHBondContact O-NE2 2.84Å; Y54-H204 VanDerWaalsContact CB-NE2 3.27Å; Y54-H204 WeakPolarHBondContact CB-NE2 3.31Å; Y92-H204 HydrophobicContact CE1-CB 4Å; Y92-H204 AromaticContact CE1-ND1 3.7Å; Y92-H204 AromaticContact CZ-ND1 3.93Å; Y92-H204 PolarHBondContact OH-ND1 2.87Å; Y192-H204 CarbonylContact C-O 3.58Å; Y192-H204 WeakPolarHBondContact CA-O 3.36Å; G193-H204 PolarHBondContact N-O 3.48Å; G193-H204 PolarHBondContact O-N 3.44Å; I195-H204 HydrophobicContact CD1-CB 3.94Å; H204-I206 WeakPolarHBondContact CE1-CG1 3.46Å
205	E	95.7	Very high	93.5	Very high	105 Å²	105	56.9 Å²	56.9	49%	0.491	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	140.3	178.8	-68.1	-178.8	-169.1	0	0	110	I191 Y192	I191-E205 CarbonylContact O-C 3.56Å; I191-E205 WeakPolarHBondContact O-CA 3.08Å; Y192-E205 HydrophobicContact CD2-CG 3.85Å
206	I	97.3	Very high	93.8	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	93.6	169.1	-57.4	168.2	0	0	0	107.5	H53 Y56 M58 L190 I191 H204 F221	H53-I206 HydrophobicContact CB-CD1 3.46Å; H53-I206 VanDerWaalsContact CB-CD1 3.46Å; H53-I206 HydrophobicContact CB-CG1 3.8Å; H53-I206 HydrophobicContact CB-CG2 4.47Å; Y56-I206 HydrophobicContact CD2-CD1 4.2Å; Y56-I206 HydrophobicContact CG-CD1 4.25Å; M58-I206 HydrophobicContact SD-CG2 4.16Å; L190-I206 VanDerWaalsContact CA-O 3.27Å; L190-I206 WeakPolarHBondContact CA-O 3.13Å; L190-I206 WeakPolarHBondContact CB-O 3.25Å; I191-I206 HydrophobicContact CD1-CD1 3.83Å; I191-I206 HydrophobicContact CG1-CB 3.83Å; I191-I206 HydrophobicContact CG1-CD1 4.01Å; I191-I206 HydrophobicContact CG1-CG1 4.24Å; I191-I206 PolarHBondContact N-O 3.23Å; I191-I206 PolarHBondContact O-N 2.64Å; H204-I206 WeakPolarHBondContact CE1-CG1 3.46Å; I206-F221 HydrophobicContact CB-CE1 4.1Å; I206-F221 HydrophobicContact CG2-CD1 4.26Å; I206-F221 HydrophobicContact CG2-CE1 3.61Å
207	P	97.2	Very high	94.2	Very high	79 Å²	79	54.2 Å²	54.2	51%	0.513	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	140.6	-178.4	31.2	-34.1	0	0	0	111.8
208	V	98.1	Very high	94.7	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.048	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-87.2	116.4	162.5	-173.6	0	0	0	0	107.9	M58 I60 S189 A210 W212 I213 V219 F221	M58-V208 HydrophobicContact SD-CG2 4.19Å; I60-V208 HydrophobicContact CD1-CG1 4.18Å; S189-V208 WeakPolarHBondContact O-CB 3.36Å; S189-V208 PolarHBondContact O-N 3.27Å; V208-A210 PolarHBondContact O-N 2.85Å; V208-W212 HydrophobicContact CG1-CB 4.01Å; V208-I213 HydrophobicContact CG1-CG1 4.12Å; V208-V219 HydrophobicContact CG1-CG2 3.97Å; V208-V219 HydrophobicContact CG2-CB 4.48Å; V208-V219 HydrophobicContact CG2-CG1 3.85Å; V208-V219 HydrophobicContact CG2-CG2 4.14Å; V208-F221 HydrophobicContact CG2-CZ 3.87Å
209	S	96.8	Very high	95.3	Very high	58 Å²	58	46.4 Å²	46.4	41%	0.406	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-57.7	132.6	174.8	177	0	0	0	0	110.6	K211 W212	S209-K211 PolarHBondContact O-N 2.91Å; S209-W212 WeakPolarHBondContact O-CB 3.18Å; S209-W212 PolarHBondContact O-N 2.85Å
210	A	96.8	Very high	95.9	Very high	21 Å²	21	40.1 Å²	40.1	17%	0.174	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-55.6	-22	-178	0	0	0	0	0	114.1	Q184 V208 W212 I213	Q184-A210 HydrophobicContact CB-CB 3.76Å; Q184-A210 HydrophobicContact CG-CB 4.19Å; Q184-A210 WeakPolarHBondContact O-CB 3.48Å; V208-A210 PolarHBondContact O-N 2.85Å; A210-W212 PolarHBondContact O-N 3.29Å; A210-W212 VanDerWaalsContact O-N 3.14Å; A210-I213 PolarHBondContact O-N 2.91Å; A210-I213 VanDerWaalsContact O-N 3.1Å
211	K	96	Very high	96.4	Very high	84 Å²	84	38 Å²	38	37%	0.365	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-59.1	-24.5	173.1	79.6	-178.2	-172.4	171.3	0	113.5	E44 S209 K214	E44-K211 IonicContact OE1-NZ 2.64Å; E44-K211 PolarHBondContact OE1-NZ 3.07Å; S209-K211 PolarHBondContact O-N 2.91Å; K211-K214 WeakPolarHBondContact O-CE 3.34Å; K211-K214 PolarHBondContact O-NZ 2.95Å
212	W	97.8	Very high	96.7	Very high	8 Å²	8	35.6 Å²	35.6	3%	0.03	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-93.3	-18.3	178.5	-66.3	112.8	0	0	0	113.5	E44 N45 R49 I60 R62 V208 S209 A210 K214 T217	E44-W212 HydrophobicContact CG-CZ2 4.18Å; N45-W212 WeakPolarHBondContact O-CH2 3.45Å; R49-W212 HydrophobicContact CB-CH2 4.11Å; R49-W212 HydrophobicContact CB-CZ2 3.67Å; I60-W212 HydrophobicContact CB-CD2 4.46Å; I60-W212 HydrophobicContact CB-CE3 4.42Å; I60-W212 HydrophobicContact CD1-CB 4.13Å; I60-W212 HydrophobicContact CD1-CD2 4.1Å; I60-W212 HydrophobicContact CD1-CG 3.72Å; I60-W212 HydrophobicContact CG2-CB 4.07Å; I60-W212 HydrophobicContact CG2-CD2 3.76Å; I60-W212 HydrophobicContact CG2-CE3 3.51Å; I60-W212 HydrophobicContact CG2-CG 4.02Å; I60-W212 HydrophobicContact CG2-CZ3 4.13Å; R62-W212 HydrophobicContact CG-CE3 4Å; R62-W212 HydrophobicContact CG-CZ3 3.88Å; V208-W212 HydrophobicContact CG1-CB 4.01Å; S209-W212 WeakPolarHBondContact O-CB 3.18Å; S209-W212 PolarHBondContact O-N 2.85Å; A210-W212 PolarHBondContact O-N 3.29Å; A210-W212 VanDerWaalsContact O-N 3.14Å; W212-K214 VanDerWaalsContact C-N 3.29Å; W212-K214 PolarHBondContact O-N 3.31Å; W212-T217 WeakPolarHBondContact O-CB 3.39Å; W212-T217 WeakPolarHBondContact O-CG2 3.29Å; W212-T217 PolarHBondContact O-OG1 2.82Å
213	I	98.1	Very high	96.8	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.015	18%	0.182	C	C	.	.			trans	-78.5	80.4	-178.4	-50.9	176.1	0	0	0	109.4	M161 Y175 I178 L187 V208 A210	M161-I213 HydrophobicContact CE-CG2 4.02Å; Y175-I213 HydrophobicContact CD1-CG2 4.01Å; Y175-I213 HydrophobicContact CD2-CB 4.27Å; Y175-I213 HydrophobicContact CD2-CG2 3.97Å; Y175-I213 HydrophobicContact CE1-CG2 3.97Å; Y175-I213 HydrophobicContact CE2-CB 4.02Å; Y175-I213 HydrophobicContact CE2-CG1 3.93Å; Y175-I213 HydrophobicContact CE2-CG2 4Å; Y175-I213 HydrophobicContact CG-CG2 4.03Å; I178-I213 HydrophobicContact CD1-CG2 4.31Å; I178-I213 HydrophobicContact CG1-CG2 4.34Å; L187-I213 HydrophobicContact CB-CB 4.27Å; L187-I213 HydrophobicContact CB-CD1 3.84Å; L187-I213 HydrophobicContact CB-CG2 4.08Å; L187-I213 HydrophobicContact CD1-CB 4.03Å; L187-I213 HydrophobicContact CD1-CG2 3.96Å; L187-I213 HydrophobicContact CD2-CG2 4.27Å; L187-I213 HydrophobicContact CG-CG2 4.33Å; V208-I213 HydrophobicContact CG1-CG1 4.12Å; A210-I213 PolarHBondContact O-N 2.91Å; A210-I213 VanDerWaalsContact O-N 3.1Å
214	K	97.7	Very high	96.7	Very high	84 Å²	84	31.1 Å²	31.1	37%	0.365	17%	0.174	S	C	.	.	S	Bend	trans	-137.9	153.3	-176.2	-65.6	176.8	177.7	165.2	0	109.5	Y175 K211 W212 G216 T217	Y175-K214 WeakPolarHBondContact CB-O 2.98Å; K211-K214 WeakPolarHBondContact O-CE 3.34Å; K211-K214 PolarHBondContact O-NZ 2.95Å; W212-K214 VanDerWaalsContact C-N 3.29Å; W212-K214 PolarHBondContact O-N 3.31Å; K214-G216 PolarHBondContact O-N 3.26Å; K214-T217 WeakPolarHBondContact O-CB 3.42Å; K214-T217 PolarHBondContact O-N 3.45Å; K214-T217 VanDerWaalsContact O-N 3.14Å; K214-T217 PolarHBondContact O-OG1 2.82Å
215	S	98	Very high	96.4	Very high	56 Å²	56	31.7 Å²	31.7	39%	0.392	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	134	176.5	-51.1	0	0	0	0	112	Y175 I178 T217	Y175-S215 CarbonylContact O-C 3.55Å; Y175-S215 WeakPolarHBondContact O-CA 3.38Å; I178-S215 PolarHBondContact N-OG 2.85Å; I178-S215 PolarHBondContact O-OG 3.03Å; S215-T217 VanDerWaalsContact C-N 3.33Å
216	G	97.7	Very high	95.8	Very high	11 Å²	11	30.3 Å²	30.3	11%	0.113	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	18.9	179.5	0	0	0	0	0	114.4	R62 H63 Q64 Y175 K214	R62-G216 CarbonylContact C-O 3.3Å; H63-G216 PolarHBondContact N-O 3.32Å; Q64-G216 PolarHBondContact N-O 3.01Å; Y175-G216 PolarHBondContact O-N 3.15Å; K214-G216 PolarHBondContact O-N 3.26Å
217	T	98.4	Very high	95.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.2	167.6	-54.9	0	0	0	0	110.2	I60 Q61 R62 Y174 Y175 W212 K214 S215 V219	I60-T217 HydrophobicContact CG2-CG2 3.48Å; I60-T217 VanDerWaalsContact CG2-CG2 3.48Å; Q61-T217 CarbonylContact O-C 3.58Å; Q61-T217 WeakPolarHBondContact O-CA 3.27Å; R62-T217 HydrophobicContact CG-CG2 4.37Å; Y174-T217 WeakPolarHBondContact CD2-O 3.45Å; Y175-T217 HydrophobicContact CD2-CG2 4.25Å; Y175-T217 HydrophobicContact CE2-CG2 4.21Å; Y175-T217 PolarHBondContact N-O 3.3Å; W212-T217 WeakPolarHBondContact O-CB 3.39Å; W212-T217 WeakPolarHBondContact O-CG2 3.29Å; W212-T217 PolarHBondContact O-OG1 2.82Å; K214-T217 WeakPolarHBondContact O-CB 3.42Å; K214-T217 PolarHBondContact O-N 3.45Å; K214-T217 VanDerWaalsContact O-N 3.14Å; K214-T217 PolarHBondContact O-OG1 2.82Å; S215-T217 VanDerWaalsContact C-N 3.33Å; T217-V219 HydrophobicContact CG2-CG2 4.47Å
218	L	98.1	Very high	95	Very high	20 Å²	20	30.9 Å²	30.9	11%	0.105	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.5	170.8	177.6	63.8	0	0	0	109.4	I60 Q61 Q64 P67 Y174 E220	I60-L218 WeakPolarHBondContact CA-O 3.42Å; Q61-L218 PolarHBondContact N-O 2.81Å; Q61-L218 PolarHBondContact O-N 2.82Å; Q64-L218 HydrophobicContact CB-CB 4.03Å; Q64-L218 HydrophobicContact CG-CB 3.9Å; P67-L218 HydrophobicContact CG-CD1 4.33Å; Y174-L218 HydrophobicContact CD2-CB 4.17Å; Y174-L218 HydrophobicContact CD2-CD1 4.32Å; L218-E220 HydrophobicContact CD1-CG 4.39Å; L218-E220 HydrophobicContact CD2-CG 4.15Å; L218-E220 HydrophobicContact CG-CG 4.02Å
219	V	98.5	Very high	94.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.3	170	-177.3	0	0	0	0	108.3	M58 R59 I60 S172 L173 Y175 V208 T217 F221	M58-V219 HydrophobicContact CG-CG1 3.94Å; M58-V219 HydrophobicContact SD-CG1 4.13Å; R59-V219 CarbonylContact O-C 3.59Å; R59-V219 WeakPolarHBondContact O-CA 3.4Å; I60-V219 HydrophobicContact CG1-CG1 4.3Å; I60-V219 HydrophobicContact CG1-CG2 4.19Å; I60-V219 HydrophobicContact CG2-CG2 4.28Å; S172-V219 CarbonylContact C-O 3.54Å; S172-V219 VanDerWaalsContact CA-O 3.29Å; S172-V219 WeakPolarHBondContact CA-O 3.47Å; L173-V219 HydrophobicContact CB-CB 4.23Å; L173-V219 PolarHBondContact N-O 2.03Å; L173-V219 PolarHBondContact O-N 3.18Å; Y175-V219 HydrophobicContact CE2-CG2 3.93Å; Y175-V219 WeakPolarHBondContact OH-CG2 3.48Å; V208-V219 HydrophobicContact CG1-CG2 3.97Å; V208-V219 HydrophobicContact CG2-CB 4.48Å; V208-V219 HydrophobicContact CG2-CG1 3.85Å; V208-V219 HydrophobicContact CG2-CG2 4.14Å; T217-V219 HydrophobicContact CG2-CG2 4.47Å; V219-F221 HydrophobicContact CG1-CD2 4.31Å; V219-F221 HydrophobicContact CG1-CE1 4.37Å; V219-F221 HydrophobicContact CG1-CE2 3.68Å; V219-F221 HydrophobicContact CG1-CZ 3.72Å
220	E	97.6	Very high	94	Very high	17 Å²	17	32.5 Å²	32.5	8%	0.079	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.7	174.7	-61	-176.9	112.3	0	0	110.1	M58 R59 K170 M171 L218	M58-E220 WeakPolarHBondContact CA-O 3.36Å; R59-E220 PolarHBondContact N-O 3.03Å; R59-E220 IonicContact NH1-OE2 2.6Å; R59-E220 PolarHBondContact NH1-OE2 3.4Å; R59-E220 PolarHBondContact O-N 2.71Å; K170-E220 HydrophobicContact CD-CB 4.46Å; K170-E220 WeakPolarHBondContact CD-OE1 3.45Å; K170-E220 WeakPolarHBondContact CE-OE1 3.32Å; K170-E220 IonicContact NZ-OE1 3.22Å; K170-E220 PolarHBondContact NZ-OE1 3Å; M171-E220 CarbonylContact O-C 3.54Å; M171-E220 WeakPolarHBondContact O-CA 2.97Å; L218-E220 HydrophobicContact CD1-CG 4.39Å; L218-E220 HydrophobicContact CD2-CG 4.15Å; L218-E220 HydrophobicContact CG-CG 4.02Å
221	F	97.9	Very high	93.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.2	168.3	-57.8	-81.7	0	0	0	109.1	Y56 S57 M58 K170 M171 L173 I191 I206 V208 V219	Y56-F221 HydrophobicContact CD1-CB 4.25Å; S57-F221 VanDerWaalsContact O-CA 3.32Å; S57-F221 WeakPolarHBondContact O-CA 3.35Å; M58-F221 HydrophobicContact CB-CD1 3.99Å; M58-F221 HydrophobicContact CB-CE1 3.98Å; M58-F221 HydrophobicContact CG-CD1 4.04Å; M58-F221 HydrophobicContact CG-CE1 3.67Å; M58-F221 HydrophobicContact CG-CZ 4.32Å; M58-F221 HydrophobicContact SD-CD1 4.49Å; M58-F221 HydrophobicContact SD-CE1 3.57Å; M58-F221 VanDerWaalsContact SD-CE1 3.57Å; M58-F221 HydrophobicContact SD-CZ 3.98Å; K170-F221 WeakPolarHBondContact CA-O 3.11Å; K170-F221 WeakPolarHBondContact CG-O 3.37Å; M171-F221 HydrophobicContact CB-CB 4.35Å; M171-F221 HydrophobicContact CB-CD2 4.4Å; M171-F221 HydrophobicContact CE-CB 3.96Å; M171-F221 PolarHBondContact N-O 3.11Å; M171-F221 PolarHBondContact O-N 2.46Å; L173-F221 HydrophobicContact CD1-CE2 3.83Å; L173-F221 HydrophobicContact CG-CE2 4.1Å; I191-F221 HydrophobicContact CD1-CB 3.93Å; I191-F221 HydrophobicContact CD1-CD1 3.65Å; I191-F221 HydrophobicContact CD1-CD2 4.41Å; I191-F221 HydrophobicContact CD1-CE1 4.25Å; I191-F221 HydrophobicContact CD1-CG 3.73Å; I191-F221 HydrophobicContact CG1-CD1 3.95Å; I191-F221 HydrophobicContact CG1-CE1 4.03Å; I191-F221 HydrophobicContact CG1-CG 4.22Å; I191-F221 HydrophobicContact CG1-CZ 4.36Å; I191-F221 HydrophobicContact CG2-CD2 3.85Å; I191-F221 HydrophobicContact CG2-CE2 3.92Å; I191-F221 HydrophobicContact CG2-CG 4.24Å; I191-F221 HydrophobicContact CG2-CZ 4.37Å; I206-F221 HydrophobicContact CB-CE1 4.1Å; I206-F221 HydrophobicContact CG2-CD1 4.26Å; I206-F221 HydrophobicContact CG2-CE1 3.61Å; V208-F221 HydrophobicContact CG2-CZ 3.87Å; V219-F221 HydrophobicContact CG1-CD2 4.31Å; V219-F221 HydrophobicContact CG1-CE1 4.37Å; V219-F221 HydrophobicContact CG1-CE2 3.68Å; V219-F221 HydrophobicContact CG1-CZ 3.72Å
222	E	95.6	Very high	93.3	Very high	23 Å²	23	35.5 Å²	35.5	11%	0.107	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.9	179.8	-164.2	-176.1	165.8	0	0	110.3	Y56 S57 I224 K268	Y56-E222 CarbonylContact C-O 3.59Å; Y56-E222 WeakPolarHBondContact CA-O 3.38Å; S57-E222 PolarHBondContact N-O 3.26Å; S57-E222 PolarHBondContact O-N 3.34Å; E222-I224 PolarHBondContact O-N 3.07Å; E222-K268 WeakPolarHBondContact OE1-CE 3.49Å; E222-K268 IonicContact OE1-NZ 2.71Å; E222-K268 PolarHBondContact OE1-NZ 2.92Å; E222-K268 WeakPolarHBondContact OE2-CE 3.43Å; E222-K268 IonicContact OE2-NZ 3.3Å; E222-K268 PolarHBondContact OE2-NZ 3.46Å
223	V	93.3	Very high	93	Very high	49 Å²	49	37.7 Å²	37.7	30%	0.297	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	128.3	179.5	179.4	0	0	0	0	109.9	N55 Y56 G225	N55-V223 CarbonylContact O-C 3.55Å; N55-V223 WeakPolarHBondContact O-CA 3.35Å; Y56-V223 HydrophobicContact CD1-CG2 4.21Å; Y56-V223 HydrophobicContact CE1-CG2 3.57Å; V223-G225 PolarHBondContact O-N 3.17Å
224	I	90.5	Very high	92.8	Very high	26 Å²	26	38.9 Å²	38.9	13%	0.133	21%	0.209	C	C	.	.			trans	-80.5	115.5	169	-64.4	171.8	0	0	0	107.8	L52 N55 Y56 E222 I257	L52-I224 HydrophobicContact CB-CD1 4.15Å; L52-I224 HydrophobicContact CD2-CD1 3.89Å; N55-I224 PolarHBondContact O-N 3.09Å; Y56-I224 VanDerWaalsContact C-CD1 3.41Å; Y56-I224 VanDerWaalsContact O-CD1 3.32Å; Y56-I224 WeakPolarHBondContact O-CD1 3.42Å; E222-I224 PolarHBondContact O-N 3.07Å; I224-I257 HydrophobicContact CG2-CG2 4.43Å
225	G	87	Confident	92.5	Very high	14 Å²	14	41.4 Å²	41.4	14%	0.144	22%	0.222	C	C	.	.			trans	-65.7	145.8	175.8	0	0	0	0	0	112.6	V223 S229 E258	V223-G225 PolarHBondContact O-N 3.17Å; G225-S229 WeakPolarHBondContact O-CB 3.14Å; G225-S229 PolarHBondContact O-OG 2.87Å; G225-E258 WeakPolarHBondContact CA-OE1 3.39Å
226	K	84	Confident	92.4	Very high	76 Å²	76	44 Å²	44	33%	0.33	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.5	-167	-63.2	-177.7	175.4	-164.6	0	114.2	F24 C26 S229 E258	F24-K226 WeakPolarHBondContact O-CD 3.38Å; F24-K226 WeakPolarHBondContact O-CE 3.36Å; F24-K226 PolarHBondContact O-NZ 3.31Å; C26-K226 PolarHBondContact SG-NZ 2.81Å; C26-K226 VanDerWaalsContact SG-NZ 3.37Å; K226-S229 WeakPolarHBondContact CA-OG 2.98Å; K226-S229 PolarHBondContact O-OG 3.23Å; K226-E258 PolarHBondContact N-OE1 3.14Å; K226-E258 VanDerWaalsContact N-OE1 3.13Å
227	I	86.4	Confident	92.2	Very high	90 Å²	90	43.5 Å²	43.5	46%	0.462	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-50.4	-174	-54.2	172	0	0	0	109.2	S229 Q230 Y231 M245 E258	I227-S229 VanDerWaalsContact C-N 3.34Å; I227-Q230 VanDerWaalsContact O-CD 3.31Å; I227-Q230 WeakPolarHBondContact O-CG 3.14Å; I227-Q230 PolarHBondContact O-NE2 2.88Å; I227-Y231 WeakPolarHBondContact O-CE2 3.45Å; I227-M245 HydrophobicContact CB-CE 4.49Å; I227-M245 HydrophobicContact CB-SD 3.49Å; I227-M245 WeakPolarHBondContact CB-SD 3.45Å; I227-M245 HydrophobicContact CD1-SD 3.95Å; I227-M245 HydrophobicContact CG1-SD 4.32Å; I227-M245 HydrophobicContact CG2-CE 3.7Å; I227-M245 HydrophobicContact CG2-SD 3.32Å; I227-M245 WeakPolarHBondContact CG2-SD 3.17Å; I227-E258 WeakPolarHBondContact CB-OE1 3.47Å; I227-E258 PolarHBondContact N-OE1 2.88Å
228	C	90.5	Very high	91.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-68.9	-36	176.5	-63.1	0	0	0	0	111.3	Q230 Y231 C247 C256 E258	C228-Q230 PolarHBondContact O-N 2.77Å; C228-Y231 WeakPolarHBondContact O-CD2 3.43Å; C228-Y231 PolarHBondContact O-N 3.45Å; C228-C247 HydrophobicContact CB-CB 3.84Å; C228-C247 WeakPolarHBondContact CB-SG 3.31Å; C228-C247 WeakPolarHBondContact SG-CA 3.24Å; C228-C247 WeakPolarHBondContact SG-CB 3.48Å; C228-C247 CovalentContact SG-SG 2.02Å; C228-C247 PolarHBondContact SG-SG 2.97Å; C228-C256 WeakPolarHBondContact O-CB 3.4Å; C228-C256 PolarHBondContact O-SG 2.88Å; C228-E258 HydrophobicContact CB-CG 3.64Å; C228-E258 PolarHBondContact N-OE1 3.22Å; C228-E258 WeakPolarHBondContact SG-CG 3.33Å
229	S	87.7	Confident	91.5	Very high	28 Å²	28	53 Å²	53	20%	0.196	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-64.1	-10.2	-175.9	75.3	0	0	0	0	115.2	G225 K226 I227 Y231 C256	G225-S229 WeakPolarHBondContact O-CB 3.14Å; G225-S229 PolarHBondContact O-OG 2.87Å; K226-S229 WeakPolarHBondContact CA-OG 2.98Å; K226-S229 PolarHBondContact O-OG 3.23Å; I227-S229 VanDerWaalsContact C-N 3.34Å; S229-Y231 VanDerWaalsContact C-N 3.35Å; S229-C256 WeakPolarHBondContact CA-O 3.35Å; S229-C256 PolarHBondContact N-O 2.82Å
230	Q	86.3	Confident	91.2	Very high	73 Å²	73	53.5 Å²	53.5	34%	0.341	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-78.8	-18.7	174.5	82	-165.7	-39.7	0	0	113	I227 C228	I227-Q230 VanDerWaalsContact O-CD 3.31Å; I227-Q230 WeakPolarHBondContact O-CG 3.14Å; I227-Q230 PolarHBondContact O-NE2 2.88Å; C228-Q230 PolarHBondContact O-N 2.77Å
231	Y	89.8	Confident	90.8	Very high	63 Å²	63	55.7 Å²	55.7	25%	0.247	29%	0.285	C	S	.	.			trans	-84.7	126	-178.9	-55.9	-66.7	0	0	0	110.5	I227 C228 S229 R236 A240 C256	I227-Y231 WeakPolarHBondContact O-CE2 3.45Å; C228-Y231 WeakPolarHBondContact O-CD2 3.43Å; C228-Y231 PolarHBondContact O-N 3.45Å; S229-Y231 VanDerWaalsContact C-N 3.35Å; Y231-R236 HydrophobicContact CD1-CB 3.87Å; Y231-R236 HydrophobicContact CG-CB 4.26Å; Y231-A240 HydrophobicContact CD2-CB 3.66Å; Y231-A240 HydrophobicContact CE1-CB 4.16Å; Y231-A240 HydrophobicContact CE2-CB 3.08Å; Y231-A240 HydrophobicContact CG-CB 4.43Å; Y231-C256 WeakPolarHBondContact O-CB 3.34Å
232	N	89.4	Confident	90.3	Very high	105 Å²	105	59.6 Å²	59.6	56%	0.561	31%	0.309	S	S	*	.			trans	-108.2	11.5	-174.5	66.4	-21.2	0	0	0	113.5	W249	N232-W249 VanDerWaalsContact C-CH2 3.48Å
233	T	91.5	Very high	89.8	Confident	54 Å²	54	64 Å²	64	33%	0.331	34%	0.342	S	S	.	.	S	Bend	trans	-138	147.5	173.4	70	0	0	0	0	110.4	E235 R236 C237	T233-E235 VanDerWaalsContact C-N 3.31Å; T233-E235 PolarHBondContact O-N 2.81Å; T233-R236 PolarHBondContact O-N 3.43Å; T233-R236 WeakPolarHBondContact OG1-CB 3.26Å; T233-R236 VanDerWaalsContact OG1-CG 3.3Å; T233-R236 WeakPolarHBondContact OG1-CG 3.42Å; T233-R236 PolarHBondContact OG1-N 3.18Å; T233-C237 WeakPolarHBondContact O-CB 3.14Å; T233-C237 PolarHBondContact O-N 2.89Å
234	S	92.6	Very high	89.4	Confident	27 Å²	27	68.4 Å²	68.4	19%	0.189	36%	0.364	C	S	.	.	H	α-helix	trans	-53.7	-46.9	178.2	-167.6	0	0	0	0	112	R236 C237 Q238 W249 E251	S234-R236 PolarHBondContact O-N 3.33Å; S234-C237 WeakPolarHBondContact O-CB 3.19Å; S234-C237 PolarHBondContact O-N 2.96Å; S234-Q238 WeakPolarHBondContact O-CB 3.36Å; S234-Q238 VanDerWaalsContact O-CG 3.25Å; S234-Q238 WeakPolarHBondContact O-CG 3.3Å; S234-Q238 PolarHBondContact O-N 2.9Å; S234-Q238 PolarHBondContact OG-NE2 2.98Å; S234-Q238 VanDerWaalsContact OG-NE2 3.14Å; S234-W249 VanDerWaalsContact CA-CD2 3.45Å; S234-E251 PolarHBondContact OG-OE1 3.3Å
235	E	93.1	Very high	89.3	Confident	137 Å²	137	68.1 Å²	68.1	64%	0.64	36%	0.362	S	S	*	.	H	α-helix	trans	-58.4	-49.2	178.7	-176.5	-174.5	-178	0	0	112.3	T233 C237 Q238 N239	T233-E235 VanDerWaalsContact C-N 3.31Å; T233-E235 PolarHBondContact O-N 2.81Å; E235-C237 VanDerWaalsContact C-N 3.35Å; E235-C237 PolarHBondContact O-N 2.6Å; E235-Q238 PolarHBondContact O-N 3.29Å; E235-N239 VanDerWaalsContact O-CB 3.29Å; E235-N239 WeakPolarHBondContact O-CB 3.25Å; E235-N239 PolarHBondContact O-N 3.19Å; E235-N239 PolarHBondContact O-ND2 3.33Å
236	R	94.2	Very high	89.5	Confident	111 Å²	111	68.7 Å²	68.7	42%	0.419	36%	0.363	S	S	.	.	H	α-helix	trans	-66.5	-39.4	-179.9	-72.9	177.6	171.6	-161.5	-10.8	111.9	W19 Y231 T233 S234 A240	W19-R236 VanDerWaalsContact CH2-NH1 3.32Å; W19-R236 VanDerWaalsContact CH2-NH2 3.3Å; W19-R236 VanDerWaalsContact CZ3-NH1 3.28Å; Y231-R236 HydrophobicContact CD1-CB 3.87Å; Y231-R236 HydrophobicContact CG-CB 4.26Å; T233-R236 PolarHBondContact O-N 3.43Å; T233-R236 WeakPolarHBondContact OG1-CB 3.26Å; T233-R236 VanDerWaalsContact OG1-CG 3.3Å; T233-R236 WeakPolarHBondContact OG1-CG 3.42Å; T233-R236 PolarHBondContact OG1-N 3.18Å; S234-R236 PolarHBondContact O-N 3.33Å; R236-A240 WeakPolarHBondContact O-CB 3.43Å; R236-A240 PolarHBondContact O-N 3.39Å; R236-A240 VanDerWaalsContact O-N 3.09Å
237	C	93.8	Very high	90	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-59.7	-49.9	175.9	-178	0	0	0	0	111.2	T233 S234 E235 A240 C247 W249 C256	T233-C237 WeakPolarHBondContact O-CB 3.14Å; T233-C237 PolarHBondContact O-N 2.89Å; S234-C237 WeakPolarHBondContact O-CB 3.19Å; S234-C237 PolarHBondContact O-N 2.96Å; E235-C237 VanDerWaalsContact C-N 3.35Å; E235-C237 PolarHBondContact O-N 2.6Å; C237-A240 PolarHBondContact O-N 3.39Å; C237-C247 WeakPolarHBondContact O-CB 3.24Å; C237-W249 HydrophobicContact CB-CB 4.2Å; C237-W249 HydrophobicContact CB-CD2 4.35Å; C237-W249 HydrophobicContact CB-CE3 3.6Å; C237-W249 HydrophobicContact CB-CZ3 4.36Å; C237-W249 PolarHBondContact SG-N 3.07Å; C237-C256 WeakPolarHBondContact CA-SG 3.37Å; C237-C256 HydrophobicContact CB-CB 3.63Å; C237-C256 WeakPolarHBondContact CB-SG 3.41Å; C237-C256 WeakPolarHBondContact SG-CB 3.39Å; C237-C256 CovalentContact SG-SG 2.02Å; C237-C256 PolarHBondContact SG-SG 2.87Å
238	Q	90.1	Very high	90.3	Very high	97 Å²	97	61.4 Å²	61.4	45%	0.453	33%	0.33	S	S	.	.	H	α-helix	trans	-63.8	-45.5	-179.8	-69.4	173.7	13.1	0	0	111.5	S234 E235 A240 T241	S234-Q238 WeakPolarHBondContact O-CB 3.36Å; S234-Q238 VanDerWaalsContact O-CG 3.25Å; S234-Q238 WeakPolarHBondContact O-CG 3.3Å; S234-Q238 PolarHBondContact O-N 2.9Å; S234-Q238 PolarHBondContact OG-NE2 2.98Å; S234-Q238 VanDerWaalsContact OG-NE2 3.14Å; E235-Q238 PolarHBondContact O-N 3.29Å; Q238-A240 PolarHBondContact O-N 3.45Å; Q238-T241 WeakPolarHBondContact O-CB 3.01Å; Q238-T241 PolarHBondContact O-N 2.64Å; Q238-T241 PolarHBondContact O-OG1 2.98Å
239	N	92.8	Very high	90.4	Very high	122 Å²	122	61.9 Å²	61.9	65%	0.652	33%	0.331	S	S	*	.	H	α-helix	trans	-68.5	-14.6	-179.7	-70	-17.9	0	0	0	114	E235 T241	E235-N239 VanDerWaalsContact O-CB 3.29Å; E235-N239 WeakPolarHBondContact O-CB 3.25Å; E235-N239 PolarHBondContact O-N 3.19Å; E235-N239 PolarHBondContact O-ND2 3.33Å; N239-T241 VanDerWaalsContact C-N 3.31Å
240	A	90.9	Very high	90.7	Very high	11 Å²	11	60.6 Å²	60.6	9%	0.091	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-9.8	177.8	0	0	0	0	0	114	Y231 R236 C237 Q238 T242 M245	Y231-A240 HydrophobicContact CD2-CB 3.66Å; Y231-A240 HydrophobicContact CE1-CB 4.16Å; Y231-A240 HydrophobicContact CE2-CB 3.08Å; Y231-A240 HydrophobicContact CG-CB 4.43Å; R236-A240 WeakPolarHBondContact O-CB 3.43Å; R236-A240 PolarHBondContact O-N 3.39Å; R236-A240 VanDerWaalsContact O-N 3.09Å; C237-A240 PolarHBondContact O-N 3.39Å; Q238-A240 PolarHBondContact O-N 3.45Å; A240-T242 PolarHBondContact O-N 2.99Å; A240-M245 HydrophobicContact CB-CE 4.45Å; A240-M245 WeakPolarHBondContact O-CE 3.31Å
241	T	88.9	Confident	90.9	Very high	63 Å²	63	62.9 Å²	62.9	39%	0.387	33%	0.333	S	S	.	.			trans	-62.3	128.2	176.5	-60.2	0	0	0	0	110	Q238 N239 M245 T246 C247	Q238-T241 WeakPolarHBondContact O-CB 3.01Å; Q238-T241 PolarHBondContact O-N 2.64Å; Q238-T241 PolarHBondContact O-OG1 2.98Å; N239-T241 VanDerWaalsContact C-N 3.31Å; T241-M245 CarbonylContact C-O 3.48Å; T241-M245 WeakPolarHBondContact CA-O 3.27Å; T241-T246 HydrophobicContact CG2-CG2 4.29Å; T241-C247 PolarHBondContact OG1-N 2.92Å
242	T	88.5	Confident	90.8	Very high	82 Å²	82	66.6 Å²	66.6	50%	0.503	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-125.3	-179.2	176.9	64.8	0	0	0	0	110	A240 N244 M245	A240-T242 PolarHBondContact O-N 2.99Å; T242-N244 PolarHBondContact O-N 2.82Å; T242-M245 PolarHBondContact N-O 3.06Å; T242-M245 PolarHBondContact O-N 3.25Å; T242-M245 VanDerWaalsContact O-O 3.05Å; T242-M245 PolarHBondContact OG1-N 2.84Å
243	S	83.7	Confident	90.6	Very high	115 Å²	115	61.9 Å²	61.9	80%	0.804	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.3	176.5	61.7	0	0	0	0	114.1
244	N	84.9	Confident	90.6	Very high	142 Å²	142	64.8 Å²	64.8	76%	0.759	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-4.2	-172.7	-61.1	0.8	0	0	0	112.9	T242	T242-N244 PolarHBondContact O-N 2.82Å
245	M	89.4	Confident	90.5	Very high	20 Å²	20	64.2 Å²	64.2	10%	0.099	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-147.9	128	-175.8	-180	-173.3	70.2	0	0	109.9	I227 A240 T241 T242 E258 N260	I227-M245 HydrophobicContact CB-CE 4.49Å; I227-M245 HydrophobicContact CB-SD 3.49Å; I227-M245 WeakPolarHBondContact CB-SD 3.45Å; I227-M245 HydrophobicContact CD1-SD 3.95Å; I227-M245 HydrophobicContact CG1-SD 4.32Å; I227-M245 HydrophobicContact CG2-CE 3.7Å; I227-M245 HydrophobicContact CG2-SD 3.32Å; I227-M245 WeakPolarHBondContact CG2-SD 3.17Å; A240-M245 HydrophobicContact CB-CE 4.45Å; A240-M245 WeakPolarHBondContact O-CE 3.31Å; T241-M245 CarbonylContact C-O 3.48Å; T241-M245 WeakPolarHBondContact CA-O 3.27Å; T242-M245 PolarHBondContact N-O 3.06Å; T242-M245 PolarHBondContact O-N 3.25Å; T242-M245 VanDerWaalsContact O-O 3.05Å; T242-M245 PolarHBondContact OG1-N 2.84Å; M245-E258 HydrophobicContact CG-CG 4.45Å; M245-N260 VanDerWaalsContact CA-OD1 3.29Å; M245-N260 WeakPolarHBondContact CA-OD1 3.39Å
246	T	92.2	Very high	90.4	Very high	27 Å²	27	57.9 Å²	57.9	17%	0.166	31%	0.307	C	S	.	.			trans	-114.3	126.2	177.8	-56.4	0	0	0	0	109.7	T241 S259 N260 H265	T241-T246 HydrophobicContact CG2-CG2 4.29Å; T246-S259 WeakPolarHBondContact CB-O 3.1Å; T246-S259 PolarHBondContact O-N 3.27Å; T246-N260 PolarHBondContact N-OD1 2.68Å; T246-H265 WeakPolarHBondContact CG2-CE1 3.36Å
247	C	93.2	Very high	90.4	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.8	176.7	-62.7	0	0	0	0	110.8	C228 C237 T241 I257	C228-C247 HydrophobicContact CB-CB 3.84Å; C228-C247 WeakPolarHBondContact CB-SG 3.31Å; C228-C247 WeakPolarHBondContact SG-CA 3.24Å; C228-C247 WeakPolarHBondContact SG-CB 3.48Å; C228-C247 CovalentContact SG-SG 2.02Å; C228-C247 PolarHBondContact SG-SG 2.97Å; C237-C247 WeakPolarHBondContact O-CB 3.24Å; T241-C247 PolarHBondContact OG1-N 2.92Å; C247-I257 CarbonylContact C-O 3.54Å; C247-I257 WeakPolarHBondContact CA-O 3.33Å
248	I	92.9	Very high	90.3	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.5	173.1	-62	176.1	0	0	0	108.5	C256 I257 S259 K268 V269 C272	I248-C256 WeakPolarHBondContact O-CA 3.23Å; I248-I257 HydrophobicContact CB-CG1 4.12Å; I248-I257 PolarHBondContact N-O 2.96Å; I248-I257 PolarHBondContact O-N 2.8Å; I248-S259 WeakPolarHBondContact CD1-OG 3.16Å; I248-K268 HydrophobicContact CD1-CB 3.78Å; I248-V269 HydrophobicContact CD1-CB 4.34Å; I248-V269 HydrophobicContact CD1-CG2 3.47Å; I248-V269 VanDerWaalsContact CD1-CG2 3.47Å; I248-V269 HydrophobicContact CG1-CG2 4.19Å; I248-C272 HydrophobicContact CG2-CB 3.65Å
249	W	93.8	Very high	90.3	Very high	10 Å²	10	49.7 Å²	49.7	4%	0.038	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.4	171.3	-175.6	-104.9	0	0	0	110.8	N232 S234 C237 E251 N254 C256	N232-W249 VanDerWaalsContact C-CH2 3.48Å; S234-W249 VanDerWaalsContact CA-CD2 3.45Å; C237-W249 HydrophobicContact CB-CB 4.2Å; C237-W249 HydrophobicContact CB-CD2 4.35Å; C237-W249 HydrophobicContact CB-CE3 3.6Å; C237-W249 HydrophobicContact CB-CZ3 4.36Å; C237-W249 PolarHBondContact SG-N 3.07Å; W249-E251 PolarHBondContact NE1-OE1 3.06Å; W249-E251 PolarHBondContact NE1-OE2 2.89Å; W249-N254 VanDerWaalsContact CH2-OD1 3.25Å; W249-N254 WeakPolarHBondContact CH2-OD1 3.4Å; W249-N254 WeakPolarHBondContact CZ2-OD1 3.43Å; W249-C256 HydrophobicContact CE3-CB 3.81Å; W249-C256 HydrophobicContact CZ3-CB 4.07Å
250	C	92.7	Very high	90	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	96.6	177	-45.1	0	0	0	0	108.4	I42 K252 G253 N254 A255 C272	I42-C250 HydrophobicContact CD1-CB 4.15Å; C250-K252 PolarHBondContact O-N 2.86Å; C250-G253 CarbonylContact O-C 3.59Å; C250-G253 PolarHBondContact O-N 2.82Å; C250-N254 PolarHBondContact O-N 3.1Å; C250-A255 PolarHBondContact N-O 2.95Å; C250-A255 PolarHBondContact O-N 3.02Å; C250-C272 HydrophobicContact CB-CB 3.56Å; C250-C272 WeakPolarHBondContact CB-SG 3.38Å; C250-C272 WeakPolarHBondContact SG-CB 3.4Å; C250-C272 CovalentContact SG-SG 2.03Å; C250-C272 PolarHBondContact SG-SG 3.13Å
251	E	90.9	Very high	89.7	Confident	121 Å²	121	49.1 Å²	49.1	57%	0.565	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-55.6	-50.4	-169.6	-70.4	-66.6	170.7	0	0	112.3	S234 W249 G253 N254	S234-E251 PolarHBondContact OG-OE1 3.3Å; W249-E251 PolarHBondContact NE1-OE1 3.06Å; W249-E251 PolarHBondContact NE1-OE2 2.89Å; E251-G253 PolarHBondContact O-N 2.93Å; E251-N254 PolarHBondContact O-N 2.9Å
252	K	87.3	Confident	89.5	Confident	142 Å²	142	52.9 Å²	52.9	62%	0.617	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-63.6	-26.7	-179.4	-179.1	159.1	157.9	-155.9	0	113.5	V41 I42 C250	V41-K252 WeakPolarHBondContact O-CE 3.48Å; I42-K252 WeakPolarHBondContact O-CD 3.34Å; I42-K252 WeakPolarHBondContact O-CE 3.42Å; I42-K252 PolarHBondContact O-NZ 2.8Å; C250-K252 PolarHBondContact O-N 2.86Å
253	G	85.9	Confident	89.3	Confident	6 Å²	6	56.4 Å²	56.4	6%	0.062	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-93	-7	175.8	0	0	0	0	0	114.8	I40 I42 C250 E251 A255	I40-G253 VanDerWaalsContact CG2-CA 3.47Å; I42-G253 VanDerWaalsContact CD1-CA 3.42Å; C250-G253 CarbonylContact O-C 3.59Å; C250-G253 PolarHBondContact O-N 2.82Å; E251-G253 PolarHBondContact O-N 2.93Å; G253-A255 PolarHBondContact O-N 3.17Å; G253-A255 VanDerWaalsContact O-N 3.15Å
254	N	90.3	Very high	89.3	Confident	115 Å²	115	52 Å²	52	62%	0.615	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	40.3	-172.7	-156.2	11	0	0	0	112.2	W249 C250 E251	W249-N254 VanDerWaalsContact CH2-OD1 3.25Å; W249-N254 WeakPolarHBondContact CH2-OD1 3.4Å; W249-N254 WeakPolarHBondContact CZ2-OD1 3.43Å; C250-N254 PolarHBondContact O-N 3.1Å; E251-N254 PolarHBondContact O-N 2.9Å
255	A	91.1	Very high	89.5	Confident	15 Å²	15	47.6 Å²	47.6	12%	0.124	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	144.4	-169.8	0	0	0	0	0	111.1	L52 C250 G253	L52-A255 HydrophobicContact CD1-CB 3.67Å; C250-A255 PolarHBondContact N-O 2.95Å; C250-A255 PolarHBondContact O-N 3.02Å; G253-A255 PolarHBondContact O-N 3.17Å; G253-A255 VanDerWaalsContact O-N 3.15Å
256	C	92	Very high	89.4	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.02	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.3	175.7	-172.1	0	0	0	0	109.8	C228 S229 Y231 C237 I248 W249	C228-C256 WeakPolarHBondContact O-CB 3.4Å; C228-C256 PolarHBondContact O-SG 2.88Å; S229-C256 WeakPolarHBondContact CA-O 3.35Å; S229-C256 PolarHBondContact N-O 2.82Å; Y231-C256 WeakPolarHBondContact O-CB 3.34Å; C237-C256 WeakPolarHBondContact CA-SG 3.37Å; C237-C256 HydrophobicContact CB-CB 3.63Å; C237-C256 WeakPolarHBondContact CB-SG 3.41Å; C237-C256 WeakPolarHBondContact SG-CB 3.39Å; C237-C256 CovalentContact SG-SG 2.02Å; C237-C256 PolarHBondContact SG-SG 2.87Å; I248-C256 WeakPolarHBondContact O-CA 3.23Å; W249-C256 HydrophobicContact CE3-CB 3.81Å; W249-C256 HydrophobicContact CZ3-CB 4.07Å
257	I	93	Very high	89.2	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	152.1	-178.8	65.7	171	0	0	0	111.7	Y50 L52 I224 C247 I248 C272	Y50-I257 HydrophobicContact CE1-CD1 4.49Å; Y50-I257 WeakPolarHBondContact OH-CD1 3.17Å; L52-I257 HydrophobicContact CD1-CG2 4.1Å; L52-I257 HydrophobicContact CD2-CG2 4.05Å; I224-I257 HydrophobicContact CG2-CG2 4.43Å; C247-I257 CarbonylContact C-O 3.54Å; C247-I257 WeakPolarHBondContact CA-O 3.33Å; I248-I257 HydrophobicContact CB-CG1 4.12Å; I248-I257 PolarHBondContact N-O 2.96Å; I248-I257 PolarHBondContact O-N 2.8Å; I257-C272 VanDerWaalsContact CD1-SG 3.58Å
258	E	92.4	Very high	89.1	Confident	32 Å²	32	50.1 Å²	50.1	15%	0.15	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	140.8	171.8	-76.4	177.8	-141.4	0	0	111.6	G225 K226 I227 C228 M245 N260 K268	G225-E258 WeakPolarHBondContact CA-OE1 3.39Å; K226-E258 PolarHBondContact N-OE1 3.14Å; K226-E258 VanDerWaalsContact N-OE1 3.13Å; I227-E258 WeakPolarHBondContact CB-OE1 3.47Å; I227-E258 PolarHBondContact N-OE1 2.88Å; C228-E258 HydrophobicContact CB-CG 3.64Å; C228-E258 PolarHBondContact N-OE1 3.22Å; C228-E258 WeakPolarHBondContact SG-CG 3.33Å; M245-E258 HydrophobicContact CG-CG 4.45Å; E258-N260 PolarHBondContact OE2-ND2 3.16Å; E258-N260 VanDerWaalsContact OE2-ND2 3.1Å; E258-K268 PolarHBondContact O-NZ 3.1Å
259	S	90.8	Very high	89	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.269	C	S	.	.			trans	-142.4	54.1	-177.6	-166.7	0	0	0	0	110.9	T246 I248 H265 K268	T246-S259 WeakPolarHBondContact CB-O 3.1Å; T246-S259 PolarHBondContact O-N 3.27Å; I248-S259 WeakPolarHBondContact CD1-OG 3.16Å; S259-H265 PolarHBondContact O-ND1 2.87Å; S259-H265 WeakPolarHBondContact OG-CA 3.42Å; S259-H265 PolarHBondContact OG-ND1 2.87Å; S259-K268 WeakPolarHBondContact OG-CD 3.21Å
260	N	85.2	Confident	88.7	Confident	69 Å²	69	58.5 Å²	58.5	37%	0.369	30%	0.301	S	S	.	.			trans	-78.2	-25	-172.1	-55.9	-28.8	0	0	0	112.9	M245 T246 E258 Q262	M245-N260 VanDerWaalsContact CA-OD1 3.29Å; M245-N260 WeakPolarHBondContact CA-OD1 3.39Å; T246-N260 PolarHBondContact N-OD1 2.68Å; E258-N260 PolarHBondContact OE2-ND2 3.16Å; E258-N260 VanDerWaalsContact OE2-ND2 3.1Å; N260-Q262 PolarHBondContact O-N 3.37Å
261	D	85.1	Confident	88.6	Confident	52 Å²	52	58.7 Å²	58.7	28%	0.278	30%	0.302	S	S	.	.			trans	-77.2	110.1	175.7	173.7	11.5	0	0	0	110.5	N263 T264 H265	D261-N263 PolarHBondContact O-N 2.66Å; D261-N263 WeakPolarHBondContact OD1-CB 3.38Å; D261-N263 PolarHBondContact OD1-N 2.72Å; D261-T264 WeakPolarHBondContact CB-OG1 3.16Å; D261-T264 VanDerWaalsContact CG-OG1 3.22Å; D261-T264 PolarHBondContact O-N 2.79Å; D261-T264 PolarHBondContact O-OG1 3.23Å; D261-T264 VanDerWaalsContact OD2-CG2 3.27Å; D261-T264 WeakPolarHBondContact OD2-CG2 3.09Å; D261-T264 PolarHBondContact OD2-OG1 3.14Å; D261-H265 WeakPolarHBondContact O-CB 3.44Å; D261-H265 PolarHBondContact O-N 3.26Å
262	Q	83.6	Confident	88.5	Confident	142 Å²	142	53 Å²	53	66%	0.664	28%	0.276	S	S	*	.	H	α-helix	trans	-60.2	-31.3	-179.5	-66.4	-67.9	-25.6	0	0	112.9	N260 T264	N260-Q262 PolarHBondContact O-N 3.37Å; Q262-T264 VanDerWaalsContact C-N 3.32Å; Q262-T264 PolarHBondContact O-N 2.8Å
263	N	84.3	Confident	88.3	Confident	155 Å²	155	53.6 Å²	53.6	83%	0.829	27%	0.274	S	S	*	.	H	α-helix	trans	-71.6	-30.9	-178.4	-64.6	-36	0	0	0	111.8	D261	D261-N263 PolarHBondContact O-N 2.66Å; D261-N263 WeakPolarHBondContact OD1-CB 3.38Å; D261-N263 PolarHBondContact OD1-N 2.72Å
264	T	85.6	Confident	87.4	Confident	22 Å²	22	56.3 Å²	56.3	14%	0.135	29%	0.289	C	S	.	.	H	α-helix	trans	-104.3	-7.5	-179.9	58	0	0	0	0	113	D261 Q262 G266 M267 K268	D261-T264 WeakPolarHBondContact CB-OG1 3.16Å; D261-T264 VanDerWaalsContact CG-OG1 3.22Å; D261-T264 PolarHBondContact O-N 2.79Å; D261-T264 PolarHBondContact O-OG1 3.23Å; D261-T264 VanDerWaalsContact OD2-CG2 3.27Å; D261-T264 WeakPolarHBondContact OD2-CG2 3.09Å; D261-T264 PolarHBondContact OD2-OG1 3.14Å; Q262-T264 VanDerWaalsContact C-N 3.32Å; Q262-T264 PolarHBondContact O-N 2.8Å; T264-G266 PolarHBondContact O-N 2.93Å; T264-M267 HydrophobicContact CG2-CE 4.09Å; T264-M267 WeakPolarHBondContact O-CB 3.48Å; T264-M267 PolarHBondContact O-N 2.86Å; T264-K268 PolarHBondContact O-N 3.4Å
265	H	87.3	Confident	86	Confident	51 Å²	51	59 Å²	59	24%	0.236	30%	0.298	C	S	.	.	H	α-helix	trans	-54	-51.9	-177.6	179.8	77.1	0	0	0	112.7	T246 S259 D261 M267 K268 V269	T246-H265 WeakPolarHBondContact CG2-CE1 3.36Å; S259-H265 PolarHBondContact O-ND1 2.87Å; S259-H265 WeakPolarHBondContact OG-CA 3.42Å; S259-H265 PolarHBondContact OG-ND1 2.87Å; D261-H265 WeakPolarHBondContact O-CB 3.44Å; D261-H265 PolarHBondContact O-N 3.26Å; H265-M267 PolarHBondContact O-N 2.96Å; H265-K268 PolarHBondContact O-N 3.4Å; H265-K268 VanDerWaalsContact O-N 3.15Å; H265-V269 WeakPolarHBondContact NE2-CG2 3.36Å; H265-V269 WeakPolarHBondContact O-CG2 3.2Å; H265-V269 PolarHBondContact O-N 2.89Å
266	G	88.4	Confident	84.2	Confident	42 Å²	42	64.7 Å²	64.7	43%	0.433	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-32.3	179.8	0	0	0	0	0	113.4	T264 K270	T264-G266 PolarHBondContact O-N 2.93Å; G266-K270 WeakPolarHBondContact O-CG 3.48Å; G266-K270 PolarHBondContact O-N 3.31Å
267	M	88.3	Confident	81.9	Confident	57 Å²	57	71.5 Å²	71.5	28%	0.281	37%	0.368	S	S	.	.	H	α-helix	trans	-71	-47.1	174.3	-177.5	172.2	56.2	0	0	111	T264 H265 V269 K270 D271	T264-M267 HydrophobicContact CG2-CE 4.09Å; T264-M267 WeakPolarHBondContact O-CB 3.48Å; T264-M267 PolarHBondContact O-N 2.86Å; H265-M267 PolarHBondContact O-N 2.96Å; M267-V269 VanDerWaalsContact C-N 3.28Å; M267-V269 PolarHBondContact O-N 2.87Å; M267-K270 WeakPolarHBondContact O-CB 3.21Å; M267-K270 PolarHBondContact O-N 3.41Å; M267-D271 VanDerWaalsContact O-CG 3.22Å; M267-D271 PolarHBondContact O-N 3.41Å
268	K	90.3	Very high	79.4	Confident	9 Å²	9	75.7 Å²	75.7	4%	0.039	40%	0.398	C	S	.	.	H	α-helix	trans	-61.3	-33.9	176.3	-70.1	-175.6	177.8	-177	0	113.1	E222 I248 E258 S259 T264 H265 D271 C272	E222-K268 WeakPolarHBondContact OE1-CE 3.49Å; E222-K268 IonicContact OE1-NZ 2.71Å; E222-K268 PolarHBondContact OE1-NZ 2.92Å; E222-K268 WeakPolarHBondContact OE2-CE 3.43Å; E222-K268 IonicContact OE2-NZ 3.3Å; E222-K268 PolarHBondContact OE2-NZ 3.46Å; I248-K268 HydrophobicContact CD1-CB 3.78Å; E258-K268 PolarHBondContact O-NZ 3.1Å; S259-K268 WeakPolarHBondContact OG-CD 3.21Å; T264-K268 PolarHBondContact O-N 3.4Å; H265-K268 PolarHBondContact O-N 3.4Å; H265-K268 VanDerWaalsContact O-N 3.15Å; K268-D271 WeakPolarHBondContact O-CB 3.32Å; K268-D271 PolarHBondContact O-N 3Å; K268-C272 PolarHBondContact O-N 2.83Å
269	V	90.1	Very high	76.7	Confident	28 Å²	28	80.7 Å²	80.7	17%	0.17	43%	0.431	C	S	.	.	H	α-helix	trans	-61.7	-46.7	173	172.9	0	0	0	0	110.4	I248 H265 M267 D271 C272 R273	I248-V269 HydrophobicContact CD1-CB 4.34Å; I248-V269 HydrophobicContact CD1-CG2 3.47Å; I248-V269 VanDerWaalsContact CD1-CG2 3.47Å; I248-V269 HydrophobicContact CG1-CG2 4.19Å; H265-V269 WeakPolarHBondContact NE2-CG2 3.36Å; H265-V269 WeakPolarHBondContact O-CG2 3.2Å; H265-V269 PolarHBondContact O-N 2.89Å; M267-V269 VanDerWaalsContact C-N 3.28Å; M267-V269 PolarHBondContact O-N 2.87Å; V269-D271 VanDerWaalsContact C-N 3.31Å; V269-D271 PolarHBondContact O-N 2.83Å; V269-C272 PolarHBondContact O-N 3.23Å; V269-R273 HydrophobicContact CG1-CG 4.27Å; V269-R273 WeakPolarHBondContact O-CB 3.32Å; V269-R273 PolarHBondContact O-N 3.03Å
270	K	88.5	Confident	74.1	Confident	162 Å²	162	83.7 Å²	83.7	70%	0.704	46%	0.461	S	S	*	.	H	α-helix	trans	-63.4	-37.7	177.1	-68.6	174.2	-177.4	-178.7	0	112.1	G266 M267 C272	G266-K270 WeakPolarHBondContact O-CG 3.48Å; G266-K270 PolarHBondContact O-N 3.31Å; M267-K270 WeakPolarHBondContact O-CB 3.21Å; M267-K270 PolarHBondContact O-N 3.41Å; K270-C272 PolarHBondContact O-N 3.19Å
271	D	89.5	Confident	71.6	Confident	5 Å²	5	88.1 Å²	88.1	3%	0.027	49%	0.485	C	S	.	.	H	α-helix	trans	-60	-36.5	177.1	-67	-19.3	0	0	0	112.5	I42 Y48 Y50 R59 M267 K268 V269	I42-D271 WeakPolarHBondContact CG2-O 3.4Å; Y48-D271 WeakPolarHBondContact CE1-OD1 3.46Å; Y48-D271 VanDerWaalsContact CZ-OD1 3.27Å; Y48-D271 VanDerWaalsContact OH-CG 3.24Å; Y48-D271 PolarHBondContact OH-OD1 3.26Å; Y48-D271 PolarHBondContact OH-OD2 2.91Å; Y50-D271 HydrophobicContact CD1-CB 3.61Å; Y50-D271 HydrophobicContact CD2-CB 4.41Å; Y50-D271 HydrophobicContact CE1-CB 3.89Å; Y50-D271 HydrophobicContact CG-CB 3.89Å; R59-D271 IonicContact CZ-OD2 3.87Å; R59-D271 VanDerWaalsContact CZ-OD2 3.3Å; R59-D271 IonicContact NE-OD2 2.68Å; R59-D271 PolarHBondContact NE-OD2 2.88Å; R59-D271 IonicContact NH2-OD2 3.39Å; R59-D271 PolarHBondContact NH2-OD2 3.5Å; M267-D271 VanDerWaalsContact O-CG 3.22Å; M267-D271 PolarHBondContact O-N 3.41Å; K268-D271 WeakPolarHBondContact O-CB 3.32Å; K268-D271 PolarHBondContact O-N 3Å; V269-D271 VanDerWaalsContact C-N 3.31Å; V269-D271 PolarHBondContact O-N 2.83Å
272	C	89.4	Confident	69.3	Low	2 Å²	2	94.1 Å²	94.1	1%	0.014	52%	0.517	C	S	.	.	H	α-helix	trans	-98.2	-25.3	-173.3	-76.2	0	0	0	0	114.6	I248 C250 I257 K268 V269 K270	I248-C272 HydrophobicContact CG2-CB 3.65Å; C250-C272 HydrophobicContact CB-CB 3.56Å; C250-C272 WeakPolarHBondContact CB-SG 3.38Å; C250-C272 WeakPolarHBondContact SG-CB 3.4Å; C250-C272 CovalentContact SG-SG 2.03Å; C250-C272 PolarHBondContact SG-SG 3.13Å; I257-C272 VanDerWaalsContact CD1-SG 3.58Å; K268-C272 PolarHBondContact O-N 2.83Å; V269-C272 PolarHBondContact O-N 3.23Å; K270-C272 PolarHBondContact O-N 3.19Å
273	R	82.5	Confident	67	Low	153 Å²	153	91 Å²	91	58%	0.577	52%	0.523	S	S	*	.			trans	-105.2	59.7	179.9	-61	-172	-176.3	171.7	-0.7	111.2	V269 E275	V269-R273 HydrophobicContact CG1-CG 4.27Å; V269-R273 WeakPolarHBondContact O-CB 3.32Å; V269-R273 PolarHBondContact O-N 3.03Å; R273-E275 PolarHBondContact O-N 3.4Å
274	V	68.7	Low	64.5	Low	63 Å²	63	95.6 Å²	95.6	38%	0.382	53%	0.529	S	S	.	.			trans	-70.1	110.5	170.8	-170.1	0	0	0	0	107.3	I43 D276	I43-V274 HydrophobicContact CB-CG2 3.84Å; I43-V274 HydrophobicContact CD1-CG1 3.98Å; I43-V274 HydrophobicContact CD1-CG2 3.73Å; I43-V274 HydrophobicContact CG1-CG2 4.22Å; I43-V274 HydrophobicContact CG2-CG2 4.45Å; V274-D276 PolarHBondContact O-N 2.79Å
275	E	60.2	Low	62.3	Low	173 Å²	173	108.1 Å²	108.1	81%	0.808	58%	0.582	S	S	*	*			trans	-68.1	127	167.4	-68.1	-177.7	177.9	0	0	108.2	R273 T277	R273-E275 PolarHBondContact O-N 3.4Å; E275-T277 PolarHBondContact O-N 2.96Å
276	D	53.5	Low	61.1	Low	134 Å²	134	111 Å²	111	72%	0.717	60%	0.599	S	S	*	*			trans	-61.1	105.8	169.5	-79.7	-31.9	0	0	0	108	V274 S278	V274-D276 PolarHBondContact O-N 2.79Å; D276-S278 PolarHBondContact O-N 3.16Å
277	T	43.1	Very low	59.6	Low	146 Å²	146	114.6 Å²	114.6	90%	0.896	61%	0.608	S	S	*	*			trans	-69.5	20.6	172.1	45.1	0	0	0	0	112.9	E275	E275-T277 PolarHBondContact O-N 2.96Å
278	S	39.8	Very low	58	Low	92 Å²	92	117.8 Å²	117.8	64%	0.643	63%	0.626	S	S	*	*			trans	-99.1	39.8	-178.8	67.6	0	0	0	0	113.6	D276	D276-S278 PolarHBondContact O-N 3.16Å
279	T	36.1	Very low	56.1	Low	137 Å²	137	124.2 Å²	124.2	84%	0.84	66%	0.66	S	S	*	*			trans	-142.8	75.3	163.9	47.8	0	0	0	0	110.2
280	G	35.8	Very low	54	Low	63 Å²	63	130.2 Å²	130.2	65%	0.649	69%	0.691	S	S	*	*			trans	-164.2	40.5	-178.6	0	0	0	0	0	114.4
281	N	33.9	Very low	51.7	Low	163 Å²	163	128.1 Å²	128.1	87%	0.872	69%	0.69	S	S	*	*			trans	-166.3	72.2	159.8	-97.3	-21	0	0	0	110.2
282	N	36.3	Very low	49	Very low	177 Å²	177	136.9 Å²	136.9	95%	0.947	74%	0.737	S	S	*	*			trans	-136.7	115.1	158.8	-100.8	-15.6	0	0	0	108.6
283	G	34.8	Very low	45.9	Very low	77 Å²	77	147.2 Å²	147.2	79%	0.794	79%	0.793	S	S	*	*			trans	98.9	81.4	159.8	0	0	0	0	0	116.1
284	R	32.9	Very low	42.9	Very low	252 Å²	252	146.8 Å²	146.8	95%	0.951	81%	0.811	S	S	*	*			trans	-156.4	74.1	146.8	-121.8	-180	-166.6	165.6	4.6	112.9
285	K	39.2	Very low	40.5	Very low	284 Å²	284	154.4 Å²	154.4	100%	1.235	85%	0.85	S	S	*	*				-174.9	0	119.6	-108	-177.9	178.3	-179.9	0	110

Retrieved 285 of 285 residues in 58.4 ms (Link to these results)

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