A0A5K4F796_SCHMA Loading...

Glyco_hydro_5_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F796, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 173 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.6	Low	68.3	Low	205 Å²	205	99.9 Å²	99.9	100%	1.01	54%	0.539	S	S	*	.				0	-40.7	0	-144.2	167	-159.5	0	0	113.9	L3 S4	M1-L3 PolarHBondContact O-N 2.67Å; M1-S4 PolarHBondContact O-OG 2.98Å
2	K	52.6	Low	69.9	Low	107 Å²	107	101 Å²	101	47%	0.465	55%	0.552	S	S	.	*	H	α-helix	trans	-60	-32.8	-177.4	-75.5	-179.6	170.6	177	0	116.4	E44	K2-E44 HydrophobicContact CD-CG 3.96Å; K2-E44 VanDerWaalsContact NZ-CB 3.32Å
3	L	53.6	Low	71	Confident	152 Å²	152	96.2 Å²	96.2	80%	0.796	54%	0.54	S	S	*	.	H	α-helix	trans	-71	-31.9	-176.3	-85.8	139.8	0	0	0	114.4	M1 T7	M1-L3 PolarHBondContact O-N 2.67Å; L3-T7 PolarHBondContact O-N 3.45Å; L3-T7 PolarHBondContact O-OG1 3.32Å
4	S	61.1	Low	71.9	Confident	70 Å²	70	94.4 Å²	94.4	49%	0.49	55%	0.554	S	S	.	*	H	α-helix	trans	-75.7	-40.3	-177	54.5	0	0	0	0	112.1	M1 T7 S8	M1-S4 PolarHBondContact O-OG 2.98Å; S4-T7 PolarHBondContact O-N 3.11Å; S4-S8 PolarHBondContact O-N 3.01Å; S4-S8 PolarHBondContact O-OG 3.07Å
5	I	65.8	Low	72.7	Confident	75 Å²	75	93.5 Å²	93.5	39%	0.385	57%	0.572	S	S	.	*	H	α-helix	trans	-67.6	-41.5	-177.9	-59.7	174.5	0	0	0	111.4	T7 S8 T9 R16	I5-T7 PolarHBondContact O-N 3.08Å; I5-S8 PolarHBondContact O-N 2.67Å; I5-T9 HydrophobicContact CG2-CG2 4.44Å; I5-T9 PolarHBondContact O-N 2.77Å; I5-T9 PolarHBondContact O-OG1 3.39Å; I5-R16 HydrophobicContact CG2-CG 4.22Å
6	S	68.5	Low	73.6	Confident	25 Å²	25	91.6 Å²	91.6	18%	0.175	55%	0.551	C	S	.	*	H	α-helix	trans	-60.4	-36	174.7	-174.4	0	0	0	0	111.8	T9 K10	S6-T9 PolarHBondContact O-OG1 3.22Å; S6-K10 VanDerWaalsContact O-CG 3.25Å; S6-K10 WeakPolarHBondContact O-CG 2.87Å; S6-K10 PolarHBondContact O-N 3.46Å
7	T	73.7	Confident	74.6	Confident	86 Å²	86	92.6 Å²	92.6	53%	0.528	55%	0.547	S	S	.	.	H	α-helix	trans	-71.9	-46.3	178.1	-54.9	0	0	0	0	111.4	L3 S4 I5 T9 K10	L3-T7 PolarHBondContact O-N 3.45Å; L3-T7 PolarHBondContact O-OG1 3.32Å; S4-T7 PolarHBondContact O-N 3.11Å; I5-T7 PolarHBondContact O-N 3.08Å; T7-T9 PolarHBondContact O-N 3.32Å; T7-K10 PolarHBondContact O-N 3.32Å
8	S	78.4	Confident	75.4	Confident	67 Å²	67	90.3 Å²	90.3	47%	0.469	53%	0.531	S	S	.	.	H	α-helix	trans	-62.2	-44.2	178.5	-58.6	0	0	0	0	112.4	S4 I5 K10 T11 T12	S4-S8 PolarHBondContact O-N 3.01Å; S4-S8 PolarHBondContact O-OG 3.07Å; I5-S8 PolarHBondContact O-N 2.67Å; S8-K10 VanDerWaalsContact C-N 3.28Å; S8-K10 PolarHBondContact O-N 3.3Å; S8-T11 PolarHBondContact O-N 3.32Å; S8-T11 PolarHBondContact O-OG1 3.41Å; S8-T12 PolarHBondContact O-N 2.88Å; S8-T12 PolarHBondContact O-OG1 3.19Å
9	T	82.3	Confident	76.1	Confident	29 Å²	29	90.3 Å²	90.3	18%	0.178	53%	0.532	C	S	.	.	H	α-helix	trans	-68.4	-25.7	-179.5	48.6	0	0	0	0	113.6	I5 S6 T7 T11 G13 R16	I5-T9 HydrophobicContact CG2-CG2 4.44Å; I5-T9 PolarHBondContact O-N 2.77Å; I5-T9 PolarHBondContact O-OG1 3.39Å; S6-T9 PolarHBondContact O-OG1 3.22Å; T7-T9 PolarHBondContact O-N 3.32Å; T9-T11 VanDerWaalsContact C-N 3.27Å; T9-T11 PolarHBondContact O-N 2.98Å; T9-G13 WeakPolarHBondContact O-CA 3.48Å; T9-G13 PolarHBondContact O-N 2.78Å; T9-R16 HydrophobicContact CG2-CG 3.64Å
10	K	80.5	Confident	76.5	Confident	168 Å²	168	91 Å²	91	73%	0.73	53%	0.53	S	S	*	.	H	α-helix	trans	-65.6	-29.3	170.3	-77	172.9	-175.5	-178.4	0	112.9	S6 T7 S8	S6-K10 VanDerWaalsContact O-CG 3.25Å; S6-K10 WeakPolarHBondContact O-CG 2.87Å; S6-K10 PolarHBondContact O-N 3.46Å; T7-K10 PolarHBondContact O-N 3.32Å; S8-K10 VanDerWaalsContact C-N 3.28Å; S8-K10 PolarHBondContact O-N 3.3Å
11	T	84.4	Confident	76.9	Confident	115 Å²	115	87.3 Å²	87.3	71%	0.706	51%	0.508	S	S	*	.	H	α-helix	trans	-93.3	-37.7	-178.9	59.6	0	0	0	0	112.6	S8 T9	S8-T11 PolarHBondContact O-N 3.32Å; S8-T11 PolarHBondContact O-OG1 3.41Å; T9-T11 VanDerWaalsContact C-N 3.27Å; T9-T11 PolarHBondContact O-N 2.98Å
12	T	86.9	Confident	78.1	Confident	113 Å²	113	78.9 Å²	78.9	69%	0.693	47%	0.474	S	S	*	.	H	α-helix	trans	-94.4	-16.5	-176.5	60.1	0	0	0	0	113.8	S8	S8-T12 PolarHBondContact O-N 2.88Å; S8-T12 PolarHBondContact O-OG1 3.19Å
13	G	84.2	Confident	79	Confident	39 Å²	39	81 Å²	81	40%	0.402	49%	0.49	S	S	.	.			trans	66.8	-165.1	-157.7	0	0	0	0	0	111.2	T9	T9-G13 WeakPolarHBondContact O-CA 3.48Å; T9-G13 PolarHBondContact O-N 2.78Å
14	G	83.9	Confident	79.9	Confident	71 Å²	71	74 Å²	74	73%	0.732	45%	0.454	S	S	*	.			trans	106.6	157.7	179.3	0	0	0	0	0	113.6
15	G	84.2	Confident	80.3	Confident	80 Å²	80	71.1 Å²	71.1	83%	0.825	44%	0.435	S	S	*	.			trans	-75.1	154.4	171	0	0	0	0	0	111.1
16	R	87.1	Confident	80.7	Confident	64 Å²	64	68.4 Å²	68.4	24%	0.242	42%	0.421	C	S	.	.			trans	-113.1	139.7	170.4	-66.9	-179.2	-72.2	168.6	-4	109.3	I5 T9 H48 E50	I5-R16 HydrophobicContact CG2-CG 4.22Å; T9-R16 HydrophobicContact CG2-CG 3.64Å; R16-H48 PolarHBondContact NH2-O 2.95Å; R16-E50 HydrophobicContact CB-CB 4.48Å; R16-E50 HydrophobicContact CB-CG 3.73Å; R16-E50 IonicContact CZ-OE2 2.82Å; R16-E50 IonicContact NE-OE2 3.33Å; R16-E50 IonicContact NH1-OE2 2.78Å
17	F	90.4	Very high	80.9	Confident	108 Å²	108	71.2 Å²	71.2	47%	0.474	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	115.3	179	-166	-76.7	0	0	0	108.4	T19 S51 T53	F17-T19 HydrophobicContact CD1-CG2 3.74Å; F17-T19 HydrophobicContact CE1-CG2 4.31Å; F17-T19 PolarHBondContact O-N 3.38Å; F17-T19 VanDerWaalsContact O-N 3.1Å; F17-S51 CarbonylContact C-O 3.39Å; F17-S51 WeakPolarHBondContact CA-O 3.27Å; F17-T53 HydrophobicContact CE1-CG2 3.84Å; F17-T53 WeakPolarHBondContact CE1-OG1 3.42Å; F17-T53 HydrophobicContact CZ-CG2 3.68Å
18	L	89	Confident	80.9	Confident	51 Å²	51	69.2 Å²	69.2	27%	0.267	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	92.4	174.5	179.8	61.3	0	0	0	108.7	E20 L21 V41 S51 W52 T53	L18-E20 WeakPolarHBondContact CD1-O 3.39Å; L18-E20 PolarHBondContact O-N 3.25Å; L18-L21 HydrophobicContact CD2-CB 4.12Å; L18-L21 HydrophobicContact CD2-CD2 3.73Å; L18-L21 HydrophobicContact CG-CD2 4.24Å; L18-V41 HydrophobicContact CD2-CG1 3.96Å; L18-S51 PolarHBondContact N-O 2.89Å; L18-W52 HydrophobicContact CB-CB 3.94Å; L18-W52 HydrophobicContact CD2-CB 4.46Å; L18-W52 HydrophobicContact CG-CB 4.49Å; L18-W52 CarbonylContact O-C 3.49Å; L18-W52 WeakPolarHBondContact O-CA 3.16Å; L18-T53 PolarHBondContact O-N 2.93Å
19	T	88.8	Confident	80.9	Confident	90 Å²	90	69.7 Å²	69.7	55%	0.552	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	-24.1	-173.3	53.7	0	0	0	0	113.2	F17 T53	F17-T19 HydrophobicContact CD1-CG2 3.74Å; F17-T19 HydrophobicContact CE1-CG2 4.31Å; F17-T19 PolarHBondContact O-N 3.38Å; F17-T19 VanDerWaalsContact O-N 3.1Å; T19-T53 WeakPolarHBondContact CA-OG1 3.13Å; T19-T53 PolarHBondContact O-OG1 3.29Å
20	E	83.9	Confident	80.5	Confident	105 Å²	105	72.4 Å²	72.4	49%	0.491	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	122.5	-179.9	-60.4	179.1	-163.5	0	0	109.7	L18 T53 W55	L18-E20 WeakPolarHBondContact CD1-O 3.39Å; L18-E20 PolarHBondContact O-N 3.25Å; E20-T53 WeakPolarHBondContact CA-O 3.35Å; E20-W55 HydrophobicContact CB-CB 4.28Å; E20-W55 VanDerWaalsContact CD-CE3 3.5Å; E20-W55 HydrophobicContact CG-CB 4.5Å; E20-W55 HydrophobicContact CG-CD2 4.14Å; E20-W55 HydrophobicContact CG-CE3 3.59Å; E20-W55 HydrophobicContact CG-CZ3 4.12Å; E20-W55 WeakPolarHBondContact OE1-CZ3 3.18Å
21	L	84.2	Confident	80.5	Confident	13 Å²	13	69 Å²	69	7%	0.068	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.9	151.7	64.3	128.5	0	0	0	107.9	L18 V41 L42 W52 T53 Y54 W55 F74	L18-L21 HydrophobicContact CD2-CB 4.12Å; L18-L21 HydrophobicContact CD2-CD2 3.73Å; L18-L21 HydrophobicContact CG-CD2 4.24Å; L21-V41 HydrophobicContact CB-CG1 4.35Å; L21-V41 HydrophobicContact CD1-CG1 3.95Å; L21-V41 HydrophobicContact CD2-CG1 4.23Å; L21-V41 HydrophobicContact CG-CG1 4.4Å; L21-L42 HydrophobicContact CD1-CD2 4.45Å; L21-W52 HydrophobicContact CD2-CB 3.67Å; L21-W52 HydrophobicContact CD2-CD2 4.21Å; L21-W52 HydrophobicContact CD2-CE3 4.01Å; L21-W52 HydrophobicContact CD2-CG 4.08Å; L21-T53 PolarHBondContact N-O 3.22Å; L21-Y54 HydrophobicContact CD1-CD2 3.87Å; L21-Y54 HydrophobicContact CD1-CE2 4.43Å; L21-Y54 HydrophobicContact CG-CD2 4.02Å; L21-Y54 CarbonylContact O-C 3.58Å; L21-Y54 WeakPolarHBondContact O-CA 3.42Å; L21-Y54 WeakPolarHBondContact O-CD2 3.35Å; L21-W55 PolarHBondContact O-N 2.98Å; L21-F74 HydrophobicContact CD1-CE1 4.07Å
22	G	77.3	Confident	80.1	Confident	29 Å²	29	64 Å²	64	30%	0.299	41%	0.414	S	S	.	.			trans	-157.5	-176.3	-178.3	0	0	0	0	0	109.7	C24 W55	G22-C24 PolarHBondContact O-N 2.96Å; G22-W55 WeakPolarHBondContact CA-O 3.47Å
23	L	70.1	Confident	79.6	Confident	152 Å²	152	63 Å²	63	80%	0.796	41%	0.407	S	S	*	.	S	Bend	trans	63.4	-10.3	179.8	-52.2	175.4	0	0	0	115.6
24	C	72.6	Confident	79.1	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.034	41%	0.407	C	S	.	.			trans	-98.3	136.8	163.6	75	0	0	0	0	108.1	G22 N34 E37 C38 Y54	G22-C24 PolarHBondContact O-N 2.96Å; C24-N34 WeakPolarHBondContact CB-O 3.45Å; C24-E37 HydrophobicContact CB-CB 3.93Å; C24-C38 HydrophobicContact CB-CB 3.63Å; C24-C38 WeakPolarHBondContact CB-SG 3.01Å; C24-C38 PolarHBondContact O-SG 3.35Å; C24-C38 WeakPolarHBondContact SG-CA 3.44Å; C24-C38 WeakPolarHBondContact SG-CB 3.37Å; C24-C38 CovalentContact SG-SG 2.05Å; C24-C38 PolarHBondContact SG-SG 2.93Å; C24-Y54 VanDerWaalsContact O-CE2 3.27Å; C24-Y54 WeakPolarHBondContact O-CE2 3.25Å; C24-Y54 PolarHBondContact O-OH 2.79Å
25	G	69.5	Low	78.6	Confident	9 Å²	9	61.3 Å²	61.3	9%	0.093	37%	0.372	C	S	.	.			trans	-167.4	138.9	-178.3	0	0	0	0	0	107.9	D27 N34	G25-D27 PolarHBondContact O-N 2.95Å; G25-D27 VanDerWaalsContact O-N 3.16Å; G25-N34 PolarHBondContact N-O 2.87Å; G25-N34 VanDerWaalsContact O-CB 3.3Å; G25-N34 WeakPolarHBondContact O-CB 3.45Å
26	D	74.2	Confident	78.2	Confident	18 Å²	18	61.9 Å²	61.9	10%	0.096	36%	0.356	C	S	.	.			trans	-71.1	115.8	-178.8	-158.2	-41.7	0	0	0	109.2	G28 T35 K39 Q70 S73	D26-G28 VanDerWaalsContact C-N 3.26Å; D26-G28 VanDerWaalsContact OD1-CA 3.31Å; D26-G28 WeakPolarHBondContact OD1-CA 3.15Å; D26-G28 PolarHBondContact OD1-N 2.87Å; D26-T35 WeakPolarHBondContact CA-OG1 3.47Å; D26-T35 HydrophobicContact CB-CG2 4.41Å; D26-T35 PolarHBondContact OD1-OG1 2.85Å; D26-T35 VanDerWaalsContact OD2-CG2 3.3Å; D26-T35 WeakPolarHBondContact OD2-CG2 3.11Å; D26-K39 IonicContact OD2-NZ 3.1Å; D26-K39 PolarHBondContact OD2-NZ 3.29Å; D26-K39 VanDerWaalsContact OD2-NZ 3.1Å; D26-Q70 PolarHBondContact O-NE2 2.87Å; D26-Q70 VanDerWaalsContact O-NE2 3.17Å; D26-S73 WeakPolarHBondContact CB-OG 3.34Å; D26-S73 PolarHBondContact OD2-OG 3.26Å
27	D	73.9	Confident	77.8	Confident	83 Å²	83	63.4 Å²	63.4	44%	0.444	37%	0.365	S	S	.	.			trans	-90.8	9.4	177.1	64.7	-10.4	0	0	0	112	G25 N29 S32 T35	G25-D27 PolarHBondContact O-N 2.95Å; G25-D27 VanDerWaalsContact O-N 3.16Å; D27-N29 PolarHBondContact O-N 3.32Å; D27-N29 WeakPolarHBondContact OD1-CA 3.13Å; D27-N29 WeakPolarHBondContact OD1-CB 3.22Å; D27-N29 PolarHBondContact OD1-N 2.99Å; D27-S32 VanDerWaalsContact OD1-CB 3.3Å; D27-S32 WeakPolarHBondContact OD1-CB 3.43Å; D27-S32 PolarHBondContact OD1-OG 3.1Å; D27-S32 WeakPolarHBondContact OD2-CB 3.45Å; D27-S32 PolarHBondContact OD2-OG 2.81Å; D27-S32 VanDerWaalsContact OD2-OG 3.12Å; D27-T35 PolarHBondContact N-OG1 3.42Å; D27-T35 PolarHBondContact OD1-OG1 3.15Å; D27-T35 VanDerWaalsContact OD1-OG1 3.1Å
28	G	73.7	Confident	77.5	Confident	45 Å²	45	58.4 Å²	58.4	46%	0.464	34%	0.344	S	S	.	.	S	Bend	trans	80.9	-6.3	-173.7	0	0	0	0	0	113.3	D26 P30	D26-G28 VanDerWaalsContact C-N 3.26Å; D26-G28 VanDerWaalsContact OD1-CA 3.31Å; D26-G28 WeakPolarHBondContact OD1-CA 3.15Å; D26-G28 PolarHBondContact OD1-N 2.87Å; G28-P30 WeakPolarHBondContact O-CD 3.32Å
29	N	77.5	Confident	77.3	Confident	76 Å²	76	58.9 Å²	58.9	41%	0.406	34%	0.344	S	S	.	.			trans	-99.8	109.1	175.5	-180	-0.1	0	0	0	109.6	D27 S31 S32 T35	D27-N29 PolarHBondContact O-N 3.32Å; D27-N29 WeakPolarHBondContact OD1-CA 3.13Å; D27-N29 WeakPolarHBondContact OD1-CB 3.22Å; D27-N29 PolarHBondContact OD1-N 2.99Å; N29-S31 PolarHBondContact O-N 2.89Å; N29-S31 WeakPolarHBondContact OD1-CB 3.27Å; N29-S31 PolarHBondContact OD1-N 2.92Å; N29-S32 PolarHBondContact O-N 3.22Å; N29-S32 PolarHBondContact O-OG 3.05Å; N29-T35 WeakPolarHBondContact O-CB 3.29Å; N29-T35 PolarHBondContact O-OG1 2.77Å; N29-T35 VanDerWaalsContact O-OG1 3.11Å
30	P	74.1	Confident	77.2	Confident	87 Å²	87	57.3 Å²	57.3	57%	0.565	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.5	-178.9	29.1	-36	0	0	0	113.5	G28 L36	G28-P30 WeakPolarHBondContact O-CD 3.32Å; P30-L36 WeakPolarHBondContact O-CD2 3.48Å
31	S	79.8	Confident	77.4	Confident	95 Å²	95	53.9 Å²	53.9	66%	0.664	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-0.9	177.5	-57.1	0	0	0	0	113.3	N29	N29-S31 PolarHBondContact O-N 2.89Å; N29-S31 WeakPolarHBondContact OD1-CB 3.27Å; N29-S31 PolarHBondContact OD1-N 2.92Å
32	S	77.6	Confident	77.6	Confident	12 Å²	12	53.3 Å²	53.3	8%	0.084	32%	0.323	C	S	.	.	S	Bend	trans	-71.6	146.7	175.2	72.9	0	0	0	0	110.8	D27 N29 N34 T35 L36	D27-S32 VanDerWaalsContact OD1-CB 3.3Å; D27-S32 WeakPolarHBondContact OD1-CB 3.43Å; D27-S32 PolarHBondContact OD1-OG 3.1Å; D27-S32 WeakPolarHBondContact OD2-CB 3.45Å; D27-S32 PolarHBondContact OD2-OG 2.81Å; D27-S32 VanDerWaalsContact OD2-OG 3.12Å; N29-S32 PolarHBondContact O-N 3.22Å; N29-S32 PolarHBondContact O-OG 3.05Å; S32-N34 PolarHBondContact O-N 2.88Å; S32-T35 PolarHBondContact O-N 2.85Å; S32-T35 WeakPolarHBondContact OG-CB 3.45Å; S32-T35 PolarHBondContact OG-N 2.84Å; S32-T35 PolarHBondContact OG-OG1 3.25Å; S32-L36 WeakPolarHBondContact O-CB 3.48Å; S32-L36 VanDerWaalsContact O-CG 3.27Å; S32-L36 WeakPolarHBondContact O-CG 3.37Å; S32-L36 PolarHBondContact O-N 3.49Å; S32-L36 VanDerWaalsContact O-N 3.08Å
33	V	75.4	Confident	78.2	Confident	91 Å²	91	54.5 Å²	54.5	55%	0.552	32%	0.323	S	S	*	.	H	α-helix	trans	-56.6	-42.1	176.4	174.1	0	0	0	0	110.3	T35 L36 E37	V33-T35 PolarHBondContact O-N 3.32Å; V33-L36 PolarHBondContact O-N 3.03Å; V33-E37 HydrophobicContact CG1-CG 4.1Å; V33-E37 WeakPolarHBondContact CG1-OE1 3.43Å; V33-E37 WeakPolarHBondContact O-CB 3.28Å; V33-E37 VanDerWaalsContact O-CG 3.24Å; V33-E37 WeakPolarHBondContact O-CG 3.48Å; V33-E37 PolarHBondContact O-N 2.84Å
34	N	73.7	Confident	79.2	Confident	73 Å²	73	49.9 Å²	49.9	39%	0.39	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-45.9	-179.6	-59.7	-8.4	0	0	0	112.6	C24 G25 S32 C38	C24-N34 WeakPolarHBondContact CB-O 3.45Å; G25-N34 PolarHBondContact N-O 2.87Å; G25-N34 VanDerWaalsContact O-CB 3.3Å; G25-N34 WeakPolarHBondContact O-CB 3.45Å; S32-N34 PolarHBondContact O-N 2.88Å; N34-C38 PolarHBondContact O-N 2.82Å
35	T	73.2	Confident	80.1	Confident	1 Å²	1	50 Å²	50	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-68.2	-42.9	179.1	-63.8	0	0	0	0	111.9	D26 D27 N29 S32 V33 K39	D26-T35 WeakPolarHBondContact CA-OG1 3.47Å; D26-T35 HydrophobicContact CB-CG2 4.41Å; D26-T35 PolarHBondContact OD1-OG1 2.85Å; D26-T35 VanDerWaalsContact OD2-CG2 3.3Å; D26-T35 WeakPolarHBondContact OD2-CG2 3.11Å; D27-T35 PolarHBondContact N-OG1 3.42Å; D27-T35 PolarHBondContact OD1-OG1 3.15Å; D27-T35 VanDerWaalsContact OD1-OG1 3.1Å; N29-T35 WeakPolarHBondContact O-CB 3.29Å; N29-T35 PolarHBondContact O-OG1 2.77Å; N29-T35 VanDerWaalsContact O-OG1 3.11Å; S32-T35 PolarHBondContact O-N 2.85Å; S32-T35 WeakPolarHBondContact OG-CB 3.45Å; S32-T35 PolarHBondContact OG-N 2.84Å; S32-T35 PolarHBondContact OG-OG1 3.25Å; V33-T35 PolarHBondContact O-N 3.32Å; T35-K39 HydrophobicContact CG2-CD 4.02Å; T35-K39 WeakPolarHBondContact O-CG 3.18Å; T35-K39 PolarHBondContact O-N 2.91Å
36	L	76.5	Confident	81.3	Confident	93 Å²	93	50 Å²	50	49%	0.487	30%	0.296	S	S	.	.	H	α-helix	trans	-66.1	-42	-178.8	-69.7	172.6	0	0	0	111.8	P30 S32 V33 A40	P30-L36 WeakPolarHBondContact O-CD2 3.48Å; S32-L36 WeakPolarHBondContact O-CB 3.48Å; S32-L36 VanDerWaalsContact O-CG 3.27Å; S32-L36 WeakPolarHBondContact O-CG 3.37Å; S32-L36 PolarHBondContact O-N 3.49Å; S32-L36 VanDerWaalsContact O-N 3.08Å; V33-L36 PolarHBondContact O-N 3.03Å; L36-A40 WeakPolarHBondContact O-CB 2.97Å; L36-A40 PolarHBondContact O-N 2.69Å
37	E	79.3	Confident	82.1	Confident	95 Å²	95	55.4 Å²	55.4	44%	0.444	32%	0.319	S	S	.	.	H	α-helix	trans	-63.2	-45.2	178.8	-76.1	178.3	177.1	0	0	111.9	C24 V33 A40 V41	C24-E37 HydrophobicContact CB-CB 3.93Å; V33-E37 HydrophobicContact CG1-CG 4.1Å; V33-E37 WeakPolarHBondContact CG1-OE1 3.43Å; V33-E37 WeakPolarHBondContact O-CB 3.28Å; V33-E37 VanDerWaalsContact O-CG 3.24Å; V33-E37 WeakPolarHBondContact O-CG 3.48Å; V33-E37 PolarHBondContact O-N 2.84Å; E37-A40 PolarHBondContact O-N 3.26Å; E37-V41 WeakPolarHBondContact O-CG2 3.35Å; E37-V41 PolarHBondContact O-N 2.89Å
38	C	84	Confident	82.8	Confident	4 Å²	4	54.5 Å²	54.5	3%	0.027	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-47.1	179.4	-106.6	0	0	0	0	111.9	C24 N34 A40 V41 L42 F74	C24-C38 HydrophobicContact CB-CB 3.63Å; C24-C38 WeakPolarHBondContact CB-SG 3.01Å; C24-C38 PolarHBondContact O-SG 3.35Å; C24-C38 WeakPolarHBondContact SG-CA 3.44Å; C24-C38 WeakPolarHBondContact SG-CB 3.37Å; C24-C38 CovalentContact SG-SG 2.05Å; C24-C38 PolarHBondContact SG-SG 2.93Å; N34-C38 PolarHBondContact O-N 2.82Å; C38-A40 VanDerWaalsContact C-N 3.28Å; C38-A40 PolarHBondContact O-N 2.8Å; C38-V41 PolarHBondContact O-N 2.81Å; C38-V41 VanDerWaalsContact O-N 3.1Å; C38-L42 WeakPolarHBondContact O-CB 3.4Å; C38-L42 WeakPolarHBondContact O-CG 3.44Å; C38-L42 PolarHBondContact O-N 2.85Å; C38-F74 VanDerWaalsContact SG-CZ 3.54Å
39	K	83.8	Confident	83.7	Confident	61 Å²	61	56.5 Å²	56.5	27%	0.265	31%	0.308	S	S	.	.	H	α-helix	trans	-56.8	-44.6	175.2	-73.6	170.3	-177.8	156.5	0	111.1	D26 T35 V41 L42 D43	D26-K39 IonicContact OD2-NZ 3.1Å; D26-K39 PolarHBondContact OD2-NZ 3.29Å; D26-K39 VanDerWaalsContact OD2-NZ 3.1Å; T35-K39 HydrophobicContact CG2-CD 4.02Å; T35-K39 WeakPolarHBondContact O-CG 3.18Å; T35-K39 PolarHBondContact O-N 2.91Å; K39-V41 PolarHBondContact O-N 2.85Å; K39-L42 PolarHBondContact O-N 2.79Å; K39-D43 WeakPolarHBondContact O-CB 3.32Å; K39-D43 PolarHBondContact O-N 2.74Å
40	A	86.1	Confident	84.4	Confident	56 Å²	56	54.5 Å²	54.5	46%	0.463	30%	0.296	S	S	.	.	H	α-helix	trans	-64.3	-36.6	176.9	0	0	0	0	0	113.4	L36 E37 C38 E44	L36-A40 WeakPolarHBondContact O-CB 2.97Å; L36-A40 PolarHBondContact O-N 2.69Å; E37-A40 PolarHBondContact O-N 3.26Å; C38-A40 VanDerWaalsContact C-N 3.28Å; C38-A40 PolarHBondContact O-N 2.8Å; A40-E44 VanDerWaalsContact O-CB 3.32Å; A40-E44 WeakPolarHBondContact O-CB 3.43Å; A40-E44 PolarHBondContact O-N 3.24Å
41	V	88.4	Confident	85.3	Confident	33 Å²	33	53.6 Å²	53.6	20%	0.2	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-46.9	176	171.7	0	0	0	0	110.9	L18 L21 E37 C38 K39 E44 A45	L18-V41 HydrophobicContact CD2-CG1 3.96Å; L21-V41 HydrophobicContact CB-CG1 4.35Å; L21-V41 HydrophobicContact CD1-CG1 3.95Å; L21-V41 HydrophobicContact CD2-CG1 4.23Å; L21-V41 HydrophobicContact CG-CG1 4.4Å; E37-V41 WeakPolarHBondContact O-CG2 3.35Å; E37-V41 PolarHBondContact O-N 2.89Å; C38-V41 PolarHBondContact O-N 2.81Å; C38-V41 VanDerWaalsContact O-N 3.1Å; K39-V41 PolarHBondContact O-N 2.85Å; V41-E44 PolarHBondContact O-N 2.88Å; V41-A45 PolarHBondContact O-N 2.85Å
42	L	89.8	Confident	85.9	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-69.3	-42.6	-176.8	-63.2	176.4	0	0	0	112.2	L21 C38 K39 E44 A45 D46 W52 S73 F74 R76	L21-L42 HydrophobicContact CD1-CD2 4.45Å; C38-L42 WeakPolarHBondContact O-CB 3.4Å; C38-L42 WeakPolarHBondContact O-CG 3.44Å; C38-L42 PolarHBondContact O-N 2.85Å; K39-L42 PolarHBondContact O-N 2.79Å; L42-E44 VanDerWaalsContact C-N 3.27Å; L42-E44 PolarHBondContact O-N 3.06Å; L42-A45 PolarHBondContact O-N 3.39Å; L42-D46 PolarHBondContact O-N 2.88Å; L42-W52 HydrophobicContact CD2-CD2 3.98Å; L42-W52 HydrophobicContact CD2-CE3 4.41Å; L42-W52 HydrophobicContact CD2-CG 4.46Å; L42-W52 HydrophobicContact CD2-CH2 4.5Å; L42-W52 HydrophobicContact CD2-CZ2 4.08Å; L42-S73 VanDerWaalsContact CD1-O 3.29Å; L42-S73 WeakPolarHBondContact CD1-O 3.36Å; L42-F74 HydrophobicContact CD1-CD1 4.32Å; L42-F74 HydrophobicContact CD1-CE1 4.46Å; L42-R76 VanDerWaalsContact CG-NH2 3.28Å
43	D	90.1	Very high	86.6	Confident	54 Å²	54	54.7 Å²	54.7	29%	0.289	29%	0.287	S	S	.	.	H	α-helix	trans	-60	-38.7	174.2	-80	-21.5	0	0	0	111.9	K39 K47 H90	K39-D43 WeakPolarHBondContact O-CB 3.32Å; K39-D43 PolarHBondContact O-N 2.74Å; D43-K47 WeakPolarHBondContact O-CG 3.22Å; D43-K47 PolarHBondContact O-N 3.19Å; D43-K47 VanDerWaalsContact O-N 3.12Å; D43-H90 IonicContact OD1-CE1 3.82Å
44	E	90.6	Very high	87.2	Confident	55 Å²	55	52.2 Å²	52.2	26%	0.257	27%	0.268	S	S	.	.	H	α-helix	trans	-73.5	-38.8	178.5	-165.9	61.7	-160.6	0	0	111.5	K2 A40 V41 L42 D46 K47 H48	K2-E44 HydrophobicContact CD-CG 3.96Å; K2-E44 VanDerWaalsContact NZ-CB 3.32Å; A40-E44 VanDerWaalsContact O-CB 3.32Å; A40-E44 WeakPolarHBondContact O-CB 3.43Å; A40-E44 PolarHBondContact O-N 3.24Å; V41-E44 PolarHBondContact O-N 2.88Å; L42-E44 VanDerWaalsContact C-N 3.27Å; L42-E44 PolarHBondContact O-N 3.06Å; E44-D46 VanDerWaalsContact C-N 3.29Å; E44-D46 PolarHBondContact O-N 3.23Å; E44-K47 PolarHBondContact O-N 3.13Å; E44-K47 WeakPolarHBondContact OE2-CD 3.31Å; E44-K47 IonicContact OE2-NZ 3.55Å; E44-K47 PolarHBondContact OE2-NZ 3.16Å; E44-H48 PolarHBondContact O-CD2 3.28Å; E44-H48 PolarHBondContact O-N 3.37Å; E44-H48 IonicContact OE1-CD2 4Å; E44-H48 PolarHBondContact OE1-CD2 2.8Å; E44-H48 IonicContact OE1-NE2 3.84Å; E44-H48 PolarHBondContact OE1-NE2 3.32Å
45	A	92	Very high	87.4	Confident	7 Å²	7	56.2 Å²	56.2	6%	0.058	28%	0.278	C	S	.	.	H	α-helix	trans	-59.1	-42.9	172.8	0	0	0	0	0	111.2	V41 L42 K47 H48 F49 E50	V41-A45 PolarHBondContact O-N 2.85Å; L42-A45 PolarHBondContact O-N 3.39Å; A45-K47 PolarHBondContact O-N 2.86Å; A45-H48 PolarHBondContact O-N 2.97Å; A45-F49 PolarHBondContact O-N 3.01Å; A45-E50 PolarHBondContact O-N 3.2Å
46	D	92.7	Very high	87.2	Confident	8 Å²	8	59.5 Å²	59.5	4%	0.043	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-44.8	176.7	-82.7	15.5	0	0	0	112.1	L42 E44 H48 F49 R76 Q89	L42-D46 PolarHBondContact O-N 2.88Å; E44-D46 VanDerWaalsContact C-N 3.29Å; E44-D46 PolarHBondContact O-N 3.23Å; D46-H48 PolarHBondContact O-N 2.93Å; D46-F49 PolarHBondContact O-N 2.91Å; D46-R76 IonicContact OD1-NH1 3.06Å; D46-R76 PolarHBondContact OD1-NH1 2.56Å; D46-Q89 HydrophobicContact CB-CG 3.9Å; D46-Q89 WeakPolarHBondContact O-CG 3.38Å
47	K	91.3	Very high	86.7	Confident	132 Å²	132	57.7 Å²	57.7	57%	0.574	30%	0.299	S	S	*	.	H	α-helix	trans	-59.5	-32.3	176.5	-72.8	174.4	-151.7	160.1	0	113.4	D43 E44 A45	D43-K47 WeakPolarHBondContact O-CG 3.22Å; D43-K47 PolarHBondContact O-N 3.19Å; D43-K47 VanDerWaalsContact O-N 3.12Å; E44-K47 PolarHBondContact O-N 3.13Å; E44-K47 WeakPolarHBondContact OE2-CD 3.31Å; E44-K47 IonicContact OE2-NZ 3.55Å; E44-K47 PolarHBondContact OE2-NZ 3.16Å; A45-K47 PolarHBondContact O-N 2.86Å
48	H	90.3	Very high	86.8	Confident	65 Å²	65	59.5 Å²	59.5	30%	0.301	30%	0.302	S	S	.	.	H	α-helix	trans	-97.4	-0.1	-175.6	-75.5	-62.8	0	0	0	113.8	R16 E44 A45 D46 E50	R16-H48 PolarHBondContact NH2-O 2.95Å; E44-H48 PolarHBondContact O-CD2 3.28Å; E44-H48 PolarHBondContact O-N 3.37Å; E44-H48 IonicContact OE1-CD2 4Å; E44-H48 PolarHBondContact OE1-CD2 2.8Å; E44-H48 IonicContact OE1-NE2 3.84Å; E44-H48 PolarHBondContact OE1-NE2 3.32Å; A45-H48 PolarHBondContact O-N 2.97Å; D46-H48 PolarHBondContact O-N 2.93Å; H48-E50 HydrophobicContact CB-CB 4.14Å; H48-E50 PolarHBondContact O-N 2.96Å
49	F	92.1	Very high	87	Confident	86 Å²	86	62 Å²	62	38%	0.377	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	43.8	-170.7	-154.8	-123	0	0	0	111.9	A45 D46 P79 F86 F100	A45-F49 PolarHBondContact O-N 3.01Å; D46-F49 PolarHBondContact O-N 2.91Å; F49-P79 HydrophobicContact CE2-CG 3.55Å; F49-P79 HydrophobicContact CZ-CG 3.76Å; F49-F86 HydrophobicContact CB-CB 4.45Å; F49-F86 HydrophobicContact CB-CD1 3.64Å; F49-F86 HydrophobicContact CB-CD2 3.95Å; F49-F86 HydrophobicContact CB-CE1 3.7Å; F49-F86 HydrophobicContact CB-CE2 4Å; F49-F86 HydrophobicContact CB-CG 3.75Å; F49-F86 HydrophobicContact CB-CZ 3.86Å; F49-F86 HydrophobicContact CD1-CB 3.82Å; F49-F86 HydrophobicContact CD1-CD2 4.08Å; F49-F86 AromaticContact CD1-CG 3.92Å; F49-F86 HydrophobicContact CD1-CG 3.92Å; F49-F86 HydrophobicContact CD2-CB 4.41Å; F49-F86 HydrophobicContact CD2-CD1 4.4Å; F49-F86 AromaticContact CD2-CD2 3.13Å; F49-F86 HydrophobicContact CD2-CD2 3.13Å; F49-F86 HydrophobicContact CD2-CE1 4.49Å; F49-F86 AromaticContact CD2-CE2 3.23Å; F49-F86 HydrophobicContact CD2-CE2 3.23Å; F49-F86 AromaticContact CD2-CG 3.75Å; F49-F86 HydrophobicContact CD2-CG 3.75Å; F49-F86 AromaticContact CD2-CZ 3.93Å; F49-F86 HydrophobicContact CD2-CZ 3.93Å; F49-F86 HydrophobicContact CE1-CB 4.09Å; F49-F86 HydrophobicContact CE1-CD2 4.36Å; F49-F86 HydrophobicContact CE1-CG 4.43Å; F49-F86 AromaticContact CE2-CD2 3.49Å; F49-F86 HydrophobicContact CE2-CD2 3.49Å; F49-F86 VanDerWaalsContact CE2-CD2 3.49Å; F49-F86 AromaticContact CE2-CE2 3.84Å; F49-F86 HydrophobicContact CE2-CE2 3.84Å; F49-F86 HydrophobicContact CE2-CG 4.28Å; F49-F86 HydrophobicContact CG-CB 3.99Å; F49-F86 AromaticContact CG-CD1 3.99Å; F49-F86 HydrophobicContact CG-CD1 3.99Å; F49-F86 AromaticContact CG-CD2 3.46Å; F49-F86 HydrophobicContact CG-CD2 3.46Å; F49-F86 VanDerWaalsContact CG-CD2 3.46Å; F49-F86 HydrophobicContact CG-CE1 4.31Å; F49-F86 AromaticContact CG-CE2 3.81Å; F49-F86 HydrophobicContact CG-CE2 3.81Å; F49-F86 AromaticContact CG-CG 3.53Å; F49-F86 HydrophobicContact CG-CG 3.53Å; F49-F86 HydrophobicContact CG-CZ 4.2Å; F49-F86 HydrophobicContact CZ-CB 4.49Å; F49-F86 HydrophobicContact CZ-CD2 4.09Å; F49-F100 HydrophobicContact CE2-CE2 4.24Å
50	E	91.8	Very high	87.2	Confident	34 Å²	34	64.4 Å²	64.4	16%	0.159	33%	0.328	C	S	.	.			trans	-104.1	123	-174.8	-177.5	165.6	175.3	0	0	109.6	R16 A45 H48	R16-E50 HydrophobicContact CB-CB 4.48Å; R16-E50 HydrophobicContact CB-CG 3.73Å; R16-E50 IonicContact CZ-OE2 2.82Å; R16-E50 IonicContact NE-OE2 3.33Å; R16-E50 IonicContact NH1-OE2 2.78Å; A45-E50 PolarHBondContact O-N 3.2Å; H48-E50 HydrophobicContact CB-CB 4.14Å; H48-E50 PolarHBondContact O-N 2.96Å
51	S	93	Very high	87.3	Confident	69 Å²	69	65.2 Å²	65.2	48%	0.483	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	158.5	174.5	-64.1	0	0	0	0	110.8	F17 L18	F17-S51 CarbonylContact C-O 3.39Å; F17-S51 WeakPolarHBondContact CA-O 3.27Å; L18-S51 PolarHBondContact N-O 2.89Å
52	W	92.6	Very high	87.4	Confident	66 Å²	66	72.3 Å²	72.3	25%	0.25	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	157.8	-177.4	51.5	-92.8	0	0	0	111.3	L18 L21 L42 F74 R76	L18-W52 HydrophobicContact CB-CB 3.94Å; L18-W52 HydrophobicContact CD2-CB 4.46Å; L18-W52 HydrophobicContact CG-CB 4.49Å; L18-W52 CarbonylContact O-C 3.49Å; L18-W52 WeakPolarHBondContact O-CA 3.16Å; L21-W52 HydrophobicContact CD2-CB 3.67Å; L21-W52 HydrophobicContact CD2-CD2 4.21Å; L21-W52 HydrophobicContact CD2-CE3 4.01Å; L21-W52 HydrophobicContact CD2-CG 4.08Å; L42-W52 HydrophobicContact CD2-CD2 3.98Å; L42-W52 HydrophobicContact CD2-CE3 4.41Å; L42-W52 HydrophobicContact CD2-CG 4.46Å; L42-W52 HydrophobicContact CD2-CH2 4.5Å; L42-W52 HydrophobicContact CD2-CZ2 4.08Å; W52-F74 HydrophobicContact CH2-CB 4.42Å; W52-F74 AromaticContact CH2-CD1 3.83Å; W52-F74 HydrophobicContact CH2-CD1 3.83Å; W52-F74 AromaticContact CZ3-CD1 3.7Å; W52-F74 HydrophobicContact CZ3-CD1 3.7Å; W52-F74 HydrophobicContact CZ3-CE1 4.29Å; W52-R76 VanDerWaalsContact CZ2-CZ 3.4Å
53	T	91.2	Very high	87.6	Confident	63 Å²	63	76 Å²	76	39%	0.387	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.4	167.4	36.2	0	0	0	0	110.1	F17 L18 T19 E20 L21	F17-T53 HydrophobicContact CE1-CG2 3.84Å; F17-T53 WeakPolarHBondContact CE1-OG1 3.42Å; F17-T53 HydrophobicContact CZ-CG2 3.68Å; L18-T53 PolarHBondContact O-N 2.93Å; T19-T53 WeakPolarHBondContact CA-OG1 3.13Å; T19-T53 PolarHBondContact O-OG1 3.29Å; E20-T53 WeakPolarHBondContact CA-O 3.35Å; L21-T53 PolarHBondContact N-O 3.22Å
54	Y	87.9	Confident	87.6	Confident	39 Å²	39	75.9 Å²	75.9	15%	0.153	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	129.7	177.9	-174.9	-110.1	0	0	0	110.4	L21 C24 F59 F74	L21-Y54 HydrophobicContact CD1-CD2 3.87Å; L21-Y54 HydrophobicContact CD1-CE2 4.43Å; L21-Y54 HydrophobicContact CG-CD2 4.02Å; L21-Y54 CarbonylContact O-C 3.58Å; L21-Y54 WeakPolarHBondContact O-CA 3.42Å; L21-Y54 WeakPolarHBondContact O-CD2 3.35Å; C24-Y54 VanDerWaalsContact O-CE2 3.27Å; C24-Y54 WeakPolarHBondContact O-CE2 3.25Å; C24-Y54 PolarHBondContact O-OH 2.79Å; Y54-F59 AromaticContact CD1-CE2 3.61Å; Y54-F59 HydrophobicContact CD1-CE2 3.61Å; Y54-F59 AromaticContact CD1-CZ 3.79Å; Y54-F59 HydrophobicContact CD1-CZ 3.79Å; Y54-F59 HydrophobicContact CE1-CE2 4.3Å; Y54-F59 HydrophobicContact CE1-CZ 4.36Å; Y54-F59 HydrophobicContact CG-CE2 4.38Å; Y54-F59 HydrophobicContact CG-CZ 4.31Å; Y54-F74 HydrophobicContact CD1-CE1 4.47Å; Y54-F74 HydrophobicContact CD1-CZ 4.31Å; Y54-F74 HydrophobicContact CD2-CD1 4.46Å; Y54-F74 AromaticContact CD2-CE1 3.34Å; Y54-F74 HydrophobicContact CD2-CE1 3.34Å; Y54-F74 HydrophobicContact CD2-CE2 4.37Å; Y54-F74 AromaticContact CD2-CZ 3.28Å; Y54-F74 HydrophobicContact CD2-CZ 3.28Å; Y54-F74 HydrophobicContact CE1-CZ 4.33Å; Y54-F74 AromaticContact CE2-CE1 3.91Å; Y54-F74 HydrophobicContact CE2-CE1 3.91Å; Y54-F74 HydrophobicContact CE2-CE2 4.21Å; Y54-F74 AromaticContact CE2-CZ 3.32Å; Y54-F74 HydrophobicContact CE2-CZ 3.32Å; Y54-F74 HydrophobicContact CG-CD1 4.41Å; Y54-F74 AromaticContact CG-CE1 3.65Å; Y54-F74 HydrophobicContact CG-CE1 3.65Å; Y54-F74 AromaticContact CG-CZ 3.8Å; Y54-F74 HydrophobicContact CG-CZ 3.8Å; Y54-F74 AromaticContact CZ-CZ 3.86Å
55	W	78.4	Confident	87.7	Confident	158 Å²	158	77.6 Å²	77.6	60%	0.598	42%	0.415	S	S	*	.	S	Bend	trans	-93.6	123.8	172.5	-165	-94.5	0	0	0	106.9	E20 L21 G22	E20-W55 HydrophobicContact CB-CB 4.28Å; E20-W55 VanDerWaalsContact CD-CE3 3.5Å; E20-W55 HydrophobicContact CG-CB 4.5Å; E20-W55 HydrophobicContact CG-CD2 4.14Å; E20-W55 HydrophobicContact CG-CE3 3.59Å; E20-W55 HydrophobicContact CG-CZ3 4.12Å; E20-W55 WeakPolarHBondContact OE1-CZ3 3.18Å; L21-W55 PolarHBondContact O-N 2.98Å; G22-W55 WeakPolarHBondContact CA-O 3.47Å
56	D	68.9	Low	87.6	Confident	70 Å²	70	80.7 Å²	80.7	37%	0.374	43%	0.434	S	S	.	.	S	Bend	trans	107.7	22.5	170.4	-143.3	13	0	0	0	118.9	Y58	D56-Y58 VanDerWaalsContact C-N 3.3Å; D56-Y58 HydrophobicContact CB-CD2 4.5Å; D56-Y58 HydrophobicContact CB-CE2 3.97Å; D56-Y58 VanDerWaalsContact CG-CZ 3.48Å; D56-Y58 VanDerWaalsContact CG-OH 3.25Å; D56-Y58 WeakPolarHBondContact O-CD2 3.47Å; D56-Y58 WeakPolarHBondContact O-CE2 3.39Å; D56-Y58 VanDerWaalsContact O-CG 3.28Å; D56-Y58 PolarHBondContact O-N 3.32Å; D56-Y58 PolarHBondContact OD1-OH 3.06Å; D56-Y58 VanDerWaalsContact OD1-OH 3.05Å; D56-Y58 WeakPolarHBondContact OD2-CE2 3.25Å; D56-Y58 PolarHBondContact OD2-OH 3.02Å
57	G	66.9	Low	87.4	Confident	55 Å²	55	83 Å²	83	57%	0.567	45%	0.446	S	S	*	.			trans	54.4	-0.7	138.5	0	0	0	0	0	123.6	F59	G57-F59 PolarHBondContact O-N 2.93Å
58	Y	80.8	Confident	87.3	Confident	132 Å²	132	81.1 Å²	81.1	52%	0.518	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	28.4	-174.7	-53.2	-66.1	0	0	0	114.8	D56 I60 N67	D56-Y58 VanDerWaalsContact C-N 3.3Å; D56-Y58 HydrophobicContact CB-CD2 4.5Å; D56-Y58 HydrophobicContact CB-CE2 3.97Å; D56-Y58 VanDerWaalsContact CG-CZ 3.48Å; D56-Y58 VanDerWaalsContact CG-OH 3.25Å; D56-Y58 WeakPolarHBondContact O-CD2 3.47Å; D56-Y58 WeakPolarHBondContact O-CE2 3.39Å; D56-Y58 VanDerWaalsContact O-CG 3.28Å; D56-Y58 PolarHBondContact O-N 3.32Å; D56-Y58 PolarHBondContact OD1-OH 3.06Å; D56-Y58 VanDerWaalsContact OD1-OH 3.05Å; D56-Y58 WeakPolarHBondContact OD2-CE2 3.25Å; D56-Y58 PolarHBondContact OD2-OH 3.02Å; Y58-I60 PolarHBondContact O-N 2.94Å; Y58-N67 WeakPolarHBondContact O-CB 3.42Å
59	F	87.3	Confident	86.9	Confident	58 Å²	58	81.3 Å²	81.3	25%	0.254	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-17.6	176.6	-67.2	-70.2	0	0	0	112.8	Y54 G57 P66 N67 Q70 V71 F74	Y54-F59 AromaticContact CD1-CE2 3.61Å; Y54-F59 HydrophobicContact CD1-CE2 3.61Å; Y54-F59 AromaticContact CD1-CZ 3.79Å; Y54-F59 HydrophobicContact CD1-CZ 3.79Å; Y54-F59 HydrophobicContact CE1-CE2 4.3Å; Y54-F59 HydrophobicContact CE1-CZ 4.36Å; Y54-F59 HydrophobicContact CG-CE2 4.38Å; Y54-F59 HydrophobicContact CG-CZ 4.31Å; G57-F59 PolarHBondContact O-N 2.93Å; F59-P66 CarbonylContact O-C 3.57Å; F59-P66 VanDerWaalsContact O-CA 3.24Å; F59-P66 WeakPolarHBondContact O-CA 3.28Å; F59-N67 PolarHBondContact O-N 2.66Å; F59-Q70 HydrophobicContact CD1-CB 3.95Å; F59-Q70 HydrophobicContact CE1-CB 4.19Å; F59-V71 HydrophobicContact CB-CG2 4.36Å; F59-V71 HydrophobicContact CD1-CG2 4.1Å; F59-F74 HydrophobicContact CE1-CB 3.7Å; F59-F74 AromaticContact CE1-CD2 3.54Å; F59-F74 HydrophobicContact CE1-CD2 3.54Å; F59-F74 HydrophobicContact CE1-CE2 4.31Å; F59-F74 AromaticContact CE1-CG 3.68Å; F59-F74 HydrophobicContact CE1-CG 3.68Å; F59-F74 HydrophobicContact CZ-CB 3.96Å; F59-F74 HydrophobicContact CZ-CD1 4.11Å; F59-F74 AromaticContact CZ-CD2 3.75Å; F59-F74 HydrophobicContact CZ-CD2 3.75Å; F59-F74 HydrophobicContact CZ-CE2 4.25Å; F59-F74 AromaticContact CZ-CG 3.65Å; F59-F74 HydrophobicContact CZ-CG 3.65Å
60	I	89.7	Confident	86.6	Confident	111 Å²	111	78.1 Å²	78.1	57%	0.569	43%	0.429	S	S	*	.	B	Isolated β-bridge	trans	-130.5	131	-175.4	-53.2	179.7	0	0	0	107.3	Y58 G64 N65	Y58-I60 PolarHBondContact O-N 2.94Å; I60-G64 VanDerWaalsContact CG2-C 3.4Å; I60-G64 VanDerWaalsContact CG2-CA 3.44Å; I60-N65 CarbonylContact C-O 3.59Å; I60-N65 WeakPolarHBondContact CA-O 3.41Å
61	D	88.1	Confident	86.4	Confident	72 Å²	72	77.6 Å²	77.6	39%	0.385	43%	0.428	S	S	.	.			trans	-77.5	173.5	174.5	69.7	19.4	0	0	0	112.1	A63 G64 N65	D61-A63 PolarHBondContact O-N 3.44Å; D61-A63 VanDerWaalsContact OD1-C 3.31Å; D61-A63 WeakPolarHBondContact OD1-CA 3.4Å; D61-A63 WeakPolarHBondContact OD1-CB 3.48Å; D61-A63 PolarHBondContact OD1-N 3.04Å; D61-G64 PolarHBondContact O-N 3.33Å; D61-G64 PolarHBondContact OD1-N 3.33Å; D61-N65 PolarHBondContact N-O 3.19Å; D61-N65 PolarHBondContact OD1-N 2.72Å; D61-N65 PolarHBondContact OD1-ND2 3.39Å; D61-N65 WeakPolarHBondContact OD2-CB 3.39Å
62	D	89.8	Confident	86.2	Confident	183 Å²	183	78.3 Å²	78.3	98%	0.979	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.8	-179.6	-64	-26.1	0	0	0	113.4
63	A	93.1	Very high	85.8	Confident	78 Å²	78	75.6 Å²	75.6	65%	0.645	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	1.8	176.6	0	0	0	0	0	113.1	D61 N65	D61-A63 PolarHBondContact O-N 3.44Å; D61-A63 VanDerWaalsContact OD1-C 3.31Å; D61-A63 WeakPolarHBondContact OD1-CA 3.4Å; D61-A63 WeakPolarHBondContact OD1-CB 3.48Å; D61-A63 PolarHBondContact OD1-N 3.04Å; A63-N65 WeakPolarHBondContact CB-ND2 3.33Å
64	G	91.3	Very high	85.8	Confident	53 Å²	53	73.1 Å²	73.1	55%	0.546	40%	0.399	S	S	.	.	S	Bend	trans	83.8	7.3	-179.9	0	0	0	0	0	114.4	I60 D61	I60-G64 VanDerWaalsContact CG2-C 3.4Å; I60-G64 VanDerWaalsContact CG2-CA 3.44Å; D61-G64 PolarHBondContact O-N 3.33Å; D61-G64 PolarHBondContact OD1-N 3.33Å
65	N	92.7	Very high	86	Confident	91 Å²	91	73 Å²	73	49%	0.487	40%	0.4	S	S	.	.			trans	-88.7	145.5	179.2	-52.5	-72.7	0	0	0	111	I60 D61 A63 N67	I60-N65 CarbonylContact C-O 3.59Å; I60-N65 WeakPolarHBondContact CA-O 3.41Å; D61-N65 PolarHBondContact N-O 3.19Å; D61-N65 PolarHBondContact OD1-N 2.72Å; D61-N65 PolarHBondContact OD1-ND2 3.39Å; D61-N65 WeakPolarHBondContact OD2-CB 3.39Å; A63-N65 WeakPolarHBondContact CB-ND2 3.33Å; N65-N67 PolarHBondContact O-N 2.77Å
66	P	90.7	Very high	86.8	Confident	71 Å²	71	65.9 Å²	65.9	46%	0.461	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-66.4	126.8	176.8	-14	26.2	0	0	0	111.4	F59 Q68 V71	F59-P66 CarbonylContact O-C 3.57Å; F59-P66 VanDerWaalsContact O-CA 3.24Å; F59-P66 WeakPolarHBondContact O-CA 3.28Å; P66-Q68 PolarHBondContact O-N 3.43Å; P66-Q68 PolarHBondContact O-NE2 2.78Å; P66-V71 HydrophobicContact CB-CG2 3.89Å
67	N	88.6	Confident	88.1	Confident	57 Å²	57	62.5 Å²	62.5	31%	0.305	36%	0.356	S	S	.	.			trans	-67.7	101.1	168.1	-177.6	-23.4	0	0	0	108.6	Y58 F59 N65 N69 Q70 V71	Y58-N67 WeakPolarHBondContact O-CB 3.42Å; F59-N67 PolarHBondContact O-N 2.66Å; N65-N67 PolarHBondContact O-N 2.77Å; N67-N69 VanDerWaalsContact C-N 3.28Å; N67-N69 PolarHBondContact O-N 2.79Å; N67-N69 PolarHBondContact OD1-N 3.33Å; N67-Q70 HydrophobicContact CB-CB 4.26Å; N67-Q70 HydrophobicContact CB-CG 4.27Å; N67-Q70 PolarHBondContact O-N 3.24Å; N67-Q70 VanDerWaalsContact O-N 3.16Å; N67-V71 WeakPolarHBondContact O-CG2 3.22Å; N67-V71 PolarHBondContact O-N 2.88Å
68	Q	87.6	Confident	89.6	Confident	93 Å²	93	64.6 Å²	64.6	44%	0.435	35%	0.347	S	S	.	.	H	α-helix	trans	-58.6	-37.8	-169.7	-65.6	-59.4	-44.3	0	0	113.1	P66 V71 Q72	P66-Q68 PolarHBondContact O-N 3.43Å; P66-Q68 PolarHBondContact O-NE2 2.78Å; Q68-V71 PolarHBondContact O-N 3.47Å; Q68-Q72 WeakPolarHBondContact O-CB 3.3Å; Q68-Q72 WeakPolarHBondContact O-CG 3.35Å; Q68-Q72 PolarHBondContact O-N 3.27Å
69	N	83.2	Confident	90.4	Very high	68 Å²	68	59 Å²	59	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-65.9	-44	-179.4	-66.5	-14.7	0	0	0	111	N67 S73	N67-N69 VanDerWaalsContact C-N 3.28Å; N67-N69 PolarHBondContact O-N 2.79Å; N67-N69 PolarHBondContact OD1-N 3.33Å; N69-S73 WeakPolarHBondContact O-CB 3.28Å; N69-S73 PolarHBondContact O-N 3.12Å; N69-S73 PolarHBondContact O-OG 3.27Å
70	Q	84.7	Confident	90.8	Very high	20 Å²	20	60.7 Å²	60.7	9%	0.093	34%	0.335	C	S	.	.	H	α-helix	trans	-66.7	-49.2	175.8	-62.9	-60.9	-15.9	0	0	110.7	D26 F59 N67 Q72 S73 F74	D26-Q70 PolarHBondContact O-NE2 2.87Å; D26-Q70 VanDerWaalsContact O-NE2 3.17Å; F59-Q70 HydrophobicContact CD1-CB 3.95Å; F59-Q70 HydrophobicContact CE1-CB 4.19Å; N67-Q70 HydrophobicContact CB-CB 4.26Å; N67-Q70 HydrophobicContact CB-CG 4.27Å; N67-Q70 PolarHBondContact O-N 3.24Å; N67-Q70 VanDerWaalsContact O-N 3.16Å; Q70-Q72 PolarHBondContact O-N 3.24Å; Q70-S73 PolarHBondContact O-N 3.3Å; Q70-S73 VanDerWaalsContact O-N 3.17Å; Q70-F74 VanDerWaalsContact O-CD2 3.31Å; Q70-F74 WeakPolarHBondContact O-CD2 3.46Å; Q70-F74 PolarHBondContact O-N 3.44Å
71	V	89	Confident	91.1	Very high	23 Å²	23	57.5 Å²	57.5	14%	0.139	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-49.4	-178.7	172.3	0	0	0	0	111.3	F59 P66 N67 Q68 S73 F74 I75 V127	F59-V71 HydrophobicContact CB-CG2 4.36Å; F59-V71 HydrophobicContact CD1-CG2 4.1Å; P66-V71 HydrophobicContact CB-CG2 3.89Å; N67-V71 WeakPolarHBondContact O-CG2 3.22Å; N67-V71 PolarHBondContact O-N 2.88Å; Q68-V71 PolarHBondContact O-N 3.47Å; V71-S73 PolarHBondContact O-N 3.48Å; V71-F74 PolarHBondContact O-N 3.38Å; V71-I75 HydrophobicContact CG1-CB 4.42Å; V71-I75 HydrophobicContact CG1-CG2 4.17Å; V71-I75 VanDerWaalsContact O-CB 3.24Å; V71-I75 WeakPolarHBondContact O-CB 3.21Å; V71-I75 WeakPolarHBondContact O-CG2 3.34Å; V71-I75 PolarHBondContact O-N 2.93Å; V71-V127 HydrophobicContact CG1-CG1 4.4Å; V71-V127 HydrophobicContact CG1-CG2 4.05Å
72	Q	88.4	Confident	91.5	Very high	84 Å²	84	56.1 Å²	56.1	39%	0.393	32%	0.317	S	S	.	.	H	α-helix	trans	-61.1	-30.2	180	-74	176	9.3	0	0	113.3	Q68 Q70 H93 V127 H128	Q68-Q72 WeakPolarHBondContact O-CB 3.3Å; Q68-Q72 WeakPolarHBondContact O-CG 3.35Å; Q68-Q72 PolarHBondContact O-N 3.27Å; Q70-Q72 PolarHBondContact O-N 3.24Å; Q72-H93 PolarHBondContact O-ND1 3.06Å; Q72-V127 HydrophobicContact CB-CG1 4.41Å; Q72-V127 HydrophobicContact CG-CG1 3.59Å; Q72-H128 PolarHBondContact O-CE1 3.38Å; Q72-H128 VanDerWaalsContact O-CE1 3.27Å; Q72-H128 PolarHBondContact O-NE2 2.82Å
73	S	84.5	Confident	91.6	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.063	28%	0.283	C	S	.	.	H	α-helix	trans	-82.9	-20.8	-178.8	-76.4	0	0	0	0	114.5	D26 L42 N69 Q70 V71 H93	D26-S73 WeakPolarHBondContact CB-OG 3.34Å; D26-S73 PolarHBondContact OD2-OG 3.26Å; L42-S73 VanDerWaalsContact CD1-O 3.29Å; L42-S73 WeakPolarHBondContact CD1-O 3.36Å; N69-S73 WeakPolarHBondContact O-CB 3.28Å; N69-S73 PolarHBondContact O-N 3.12Å; N69-S73 PolarHBondContact O-OG 3.27Å; Q70-S73 PolarHBondContact O-N 3.3Å; Q70-S73 VanDerWaalsContact O-N 3.17Å; V71-S73 PolarHBondContact O-N 3.48Å; S73-H93 VanDerWaalsContact C-CE1 3.49Å; S73-H93 PolarHBondContact O-CE1 2.85Å
74	F	89.9	Confident	91.6	Very high	10 Å²	10	47.5 Å²	47.5	4%	0.044	27%	0.267	C	S	.	.	H	α-helix	trans	-105.1	-40.6	177.7	-76.8	-93.8	0	0	0	113	L21 C38 L42 W52 Y54 F59 Q70 V71 R76	L21-F74 HydrophobicContact CD1-CE1 4.07Å; C38-F74 VanDerWaalsContact SG-CZ 3.54Å; L42-F74 HydrophobicContact CD1-CD1 4.32Å; L42-F74 HydrophobicContact CD1-CE1 4.46Å; W52-F74 HydrophobicContact CH2-CB 4.42Å; W52-F74 AromaticContact CH2-CD1 3.83Å; W52-F74 HydrophobicContact CH2-CD1 3.83Å; W52-F74 AromaticContact CZ3-CD1 3.7Å; W52-F74 HydrophobicContact CZ3-CD1 3.7Å; W52-F74 HydrophobicContact CZ3-CE1 4.29Å; Y54-F74 HydrophobicContact CD1-CE1 4.47Å; Y54-F74 HydrophobicContact CD1-CZ 4.31Å; Y54-F74 HydrophobicContact CD2-CD1 4.46Å; Y54-F74 AromaticContact CD2-CE1 3.34Å; Y54-F74 HydrophobicContact CD2-CE1 3.34Å; Y54-F74 HydrophobicContact CD2-CE2 4.37Å; Y54-F74 AromaticContact CD2-CZ 3.28Å; Y54-F74 HydrophobicContact CD2-CZ 3.28Å; Y54-F74 HydrophobicContact CE1-CZ 4.33Å; Y54-F74 AromaticContact CE2-CE1 3.91Å; Y54-F74 HydrophobicContact CE2-CE1 3.91Å; Y54-F74 HydrophobicContact CE2-CE2 4.21Å; Y54-F74 AromaticContact CE2-CZ 3.32Å; Y54-F74 HydrophobicContact CE2-CZ 3.32Å; Y54-F74 HydrophobicContact CG-CD1 4.41Å; Y54-F74 AromaticContact CG-CE1 3.65Å; Y54-F74 HydrophobicContact CG-CE1 3.65Å; Y54-F74 AromaticContact CG-CZ 3.8Å; Y54-F74 HydrophobicContact CG-CZ 3.8Å; Y54-F74 AromaticContact CZ-CZ 3.86Å; F59-F74 HydrophobicContact CE1-CB 3.7Å; F59-F74 AromaticContact CE1-CD2 3.54Å; F59-F74 HydrophobicContact CE1-CD2 3.54Å; F59-F74 HydrophobicContact CE1-CE2 4.31Å; F59-F74 AromaticContact CE1-CG 3.68Å; F59-F74 HydrophobicContact CE1-CG 3.68Å; F59-F74 HydrophobicContact CZ-CB 3.96Å; F59-F74 HydrophobicContact CZ-CD1 4.11Å; F59-F74 AromaticContact CZ-CD2 3.75Å; F59-F74 HydrophobicContact CZ-CD2 3.75Å; F59-F74 HydrophobicContact CZ-CE2 4.25Å; F59-F74 AromaticContact CZ-CG 3.65Å; F59-F74 HydrophobicContact CZ-CG 3.65Å; Q70-F74 VanDerWaalsContact O-CD2 3.31Å; Q70-F74 WeakPolarHBondContact O-CD2 3.46Å; Q70-F74 PolarHBondContact O-N 3.44Å; V71-F74 PolarHBondContact O-N 3.38Å; F74-R76 PolarHBondContact O-N 3.24Å; F74-R76 PolarHBondContact O-NE 3.19Å; F74-R76 PolarHBondContact O-NH2 3.19Å
75	I	92	Very high	91.7	Very high	37 Å²	37	53 Å²	53	19%	0.19	27%	0.272	C	S	.	.			trans	-67.4	133.2	-179.1	-152.4	176	0	0	0	109.5	V71 Y122 P124 V127 H128	V71-I75 HydrophobicContact CG1-CB 4.42Å; V71-I75 HydrophobicContact CG1-CG2 4.17Å; V71-I75 VanDerWaalsContact O-CB 3.24Å; V71-I75 WeakPolarHBondContact O-CB 3.21Å; V71-I75 WeakPolarHBondContact O-CG2 3.34Å; V71-I75 PolarHBondContact O-N 2.93Å; I75-Y122 HydrophobicContact CD1-CE1 4.29Å; I75-Y122 HydrophobicContact CG1-CE1 4.11Å; I75-P124 HydrophobicContact CD1-CB 3.5Å; I75-P124 HydrophobicContact CG1-CB 3.66Å; I75-P124 HydrophobicContact CG1-CG 4.22Å; I75-P124 HydrophobicContact CG2-CB 4.31Å; I75-V127 HydrophobicContact CD1-CB 4.49Å; I75-V127 HydrophobicContact CD1-CG2 3.95Å; I75-V127 HydrophobicContact CG2-CB 3.87Å; I75-V127 HydrophobicContact CG2-CG1 3.59Å; I75-V127 HydrophobicContact CG2-CG2 4.16Å; I75-H128 PolarHBondContact O-CD2 2.95Å; I75-H128 PolarHBondContact O-NE2 2.68Å
76	R	94.7	Very high	91.8	Very high	8 Å²	8	50.8 Å²	50.8	3%	0.03	26%	0.258	C	S	.	.			trans	-155.4	159.8	-177.5	67.4	-171.2	81.7	155.6	8.5	110.1	L42 D46 W52 F74 F91	L42-R76 VanDerWaalsContact CG-NH2 3.28Å; D46-R76 IonicContact OD1-NH1 3.06Å; D46-R76 PolarHBondContact OD1-NH1 2.56Å; W52-R76 VanDerWaalsContact CZ2-CZ 3.4Å; F74-R76 PolarHBondContact O-N 3.24Å; F74-R76 PolarHBondContact O-NE 3.19Å; F74-R76 PolarHBondContact O-NH2 3.19Å; R76-F91 HydrophobicContact CB-CB 4.42Å; R76-F91 HydrophobicContact CB-CD1 3.4Å; R76-F91 HydrophobicContact CB-CE1 3.74Å; R76-F91 HydrophobicContact CB-CG 3.96Å
77	P	97.3	Very high	92.1	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.			trans	-63.1	136	161	-15.2	29.5	0	0	0	110.6	F91 Y98 Y122 Y129 M170	P77-F91 VanDerWaalsContact CD-CD2 3.5Å; P77-F91 VanDerWaalsContact CD-CE2 3.45Å; P77-F91 HydrophobicContact CG-CD2 4.1Å; P77-F91 HydrophobicContact CG-CE2 4.06Å; P77-Y98 HydrophobicContact CB-CD1 3.67Å; P77-Y98 HydrophobicContact CB-CD2 3.98Å; P77-Y98 HydrophobicContact CB-CE1 3.93Å; P77-Y98 HydrophobicContact CB-CE2 4.22Å; P77-Y98 HydrophobicContact CB-CG 3.68Å; P77-Y98 HydrophobicContact CG-CD1 4.34Å; P77-Y98 HydrophobicContact CG-CD2 4.35Å; P77-Y98 HydrophobicContact CG-CG 3.97Å; P77-Y98 WeakPolarHBondContact O-CE2 3.44Å; P77-Y122 WeakPolarHBondContact CA-O 3.29Å; P77-Y129 HydrophobicContact CG-CE2 3.85Å; P77-Y129 VanDerWaalsContact CG-OH 3.3Å; P77-Y129 WeakPolarHBondContact CG-OH 3.45Å; P77-M170 HydrophobicContact CB-CE 3.67Å; P77-M170 HydrophobicContact CG-CE 3.35Å
78	Y	97.2	Very high	92.5	Very high	99 Å²	99	54.7 Å²	54.7	39%	0.388	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	150.2	174.9	72.9	-80.3	0	0	0	110.8	Q80 I121 Y122	Y78-Q80 HydrophobicContact CD2-CG 4.37Å; Y78-Q80 HydrophobicContact CE2-CB 4.46Å; Y78-Q80 HydrophobicContact CE2-CG 3.68Å; Y78-Q80 PolarHBondContact O-N 2.9Å; Y78-I121 WeakPolarHBondContact O-CA 3.35Å; Y78-Y122 AromaticContact CD1-CD1 3.97Å; Y78-Y122 HydrophobicContact CD1-CD1 3.97Å; Y78-Y122 HydrophobicContact CD1-CG 4.31Å; Y78-Y122 AromaticContact CE1-CD1 3.62Å; Y78-Y122 HydrophobicContact CE1-CD1 3.62Å; Y78-Y122 AromaticContact CE1-CG 3.78Å; Y78-Y122 HydrophobicContact CE1-CG 3.78Å; Y78-Y122 PolarHBondContact N-O 3.41Å; Y78-Y122 PolarHBondContact O-N 2.86Å
79	P	97.8	Very high	93	Very high	13 Å²	13	51 Å²	51	8%	0.084	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	117.1	173.4	31.6	-33	0	0	0	109.1	F49 Y98 F100 E120 I121	F49-P79 HydrophobicContact CE2-CG 3.55Å; F49-P79 HydrophobicContact CZ-CG 3.76Å; P79-Y98 WeakPolarHBondContact CD-OH 3.48Å; P79-F100 HydrophobicContact CB-CE1 3.89Å; P79-F100 HydrophobicContact CB-CE2 4.28Å; P79-F100 HydrophobicContact CB-CZ 3.71Å; P79-F100 HydrophobicContact CG-CD2 4.36Å; P79-F100 HydrophobicContact CG-CE1 4.25Å; P79-F100 HydrophobicContact CG-CE2 3.74Å; P79-F100 HydrophobicContact CG-CZ 3.68Å; P79-E120 CarbonylContact C-O 3.51Å; P79-E120 WeakPolarHBondContact CA-O 3.24Å; P79-I121 HydrophobicContact CB-CG1 4.49Å
80	Q	96.9	Very high	93.6	Very high	94 Å²	94	51.4 Å²	51.4	44%	0.439	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-35.6	170.2	-63.5	-175.6	-66.3	0	0	110.4	Y78 E120 T150	Y78-Q80 HydrophobicContact CD2-CG 4.37Å; Y78-Q80 HydrophobicContact CE2-CB 4.46Å; Y78-Q80 HydrophobicContact CE2-CG 3.68Å; Y78-Q80 PolarHBondContact O-N 2.9Å; Q80-E120 PolarHBondContact N-O 2.93Å; Q80-T150 PolarHBondContact OE1-OG1 3.31Å
81	S	96.1	Very high	94.1	Very high	44 Å²	44	50.5 Å²	50.5	31%	0.308	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	149.1	175.9	76	0	0	0	0	110.8	A119 E120	S81-A119 WeakPolarHBondContact O-CA 3.43Å; S81-E120 PolarHBondContact N-O 2.94Å; S81-E120 PolarHBondContact O-N 2.81Å; S81-E120 WeakPolarHBondContact OG-CB 3.46Å; S81-E120 WeakPolarHBondContact OG-CG 3.21Å; S81-E120 PolarHBondContact OG-N 3.02Å; S81-E120 PolarHBondContact OG-OE2 3.06Å
82	T	95	Very high	94.3	Very high	43 Å²	43	52 Å²	52	26%	0.264	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	128.7	175	-59.1	0	0	0	0	109.7	G84 F100 F102 I118	T82-G84 PolarHBondContact O-N 3.22Å; T82-F100 HydrophobicContact CG2-CZ 4.27Å; T82-F102 HydrophobicContact CG2-CB 4.06Å; T82-F102 HydrophobicContact CG2-CD1 3.99Å; T82-F102 HydrophobicContact CG2-CD2 3.26Å; T82-F102 HydrophobicContact CG2-CE1 4.21Å; T82-F102 HydrophobicContact CG2-CE2 3.52Å; T82-F102 HydrophobicContact CG2-CG 3.51Å; T82-F102 HydrophobicContact CG2-CZ 3.98Å; T82-I118 CarbonylContact C-O 3.5Å; T82-I118 WeakPolarHBondContact CA-O 3.33Å
83	N	92.8	Very high	94.2	Very high	51 Å²	51	49.5 Å²	49.5	27%	0.273	24%	0.241	S	C	.	.	S	Bend	trans	-90.3	74.9	172	-176	8.4	0	0	0	110	T104 N105 I118	N83-T104 WeakPolarHBondContact O-CA 3.39Å; N83-N105 PolarHBondContact O-N 3.31Å; N83-N105 PolarHBondContact OD1-O 2.82Å; N83-I118 PolarHBondContact N-O 2.91Å
84	G	93.1	Very high	94.3	Very high	30 Å²	30	57.8 Å²	57.8	31%	0.309	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	-175.8	-174.3	0	0	0	0	0	114.3	T82 I103	T82-G84 PolarHBondContact O-N 3.22Å; G84-I103 CarbonylContact C-O 3.58Å; G84-I103 WeakPolarHBondContact CA-O 3.25Å
85	R	93.7	Very high	94.5	Very high	169 Å²	169	60.2 Å²	60.2	64%	0.638	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.7	174.9	-173.7	178.4	69.5	-173.6	0.9	109.7	F102 I103	R85-F102 CarbonylContact O-C 3.57Å; R85-F102 VanDerWaalsContact O-CA 3.25Å; R85-F102 WeakPolarHBondContact O-CA 3.39Å; R85-F102 WeakPolarHBondContact O-CB 3.5Å; R85-I103 PolarHBondContact N-O 3.19Å; R85-I103 PolarHBondContact O-N 3.26Å
86	F	95.2	Very high	94.6	Very high	44 Å²	44	58.4 Å²	58.4	19%	0.193	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.2	140.4	170.3	172.4	-98.2	0	0	0	111.9	F49 K88 Q89 F100	F49-F86 HydrophobicContact CB-CB 4.45Å; F49-F86 HydrophobicContact CB-CD1 3.64Å; F49-F86 HydrophobicContact CB-CD2 3.95Å; F49-F86 HydrophobicContact CB-CE1 3.7Å; F49-F86 HydrophobicContact CB-CE2 4Å; F49-F86 HydrophobicContact CB-CG 3.75Å; F49-F86 HydrophobicContact CB-CZ 3.86Å; F49-F86 HydrophobicContact CD1-CB 3.82Å; F49-F86 HydrophobicContact CD1-CD2 4.08Å; F49-F86 AromaticContact CD1-CG 3.92Å; F49-F86 HydrophobicContact CD1-CG 3.92Å; F49-F86 HydrophobicContact CD2-CB 4.41Å; F49-F86 HydrophobicContact CD2-CD1 4.4Å; F49-F86 AromaticContact CD2-CD2 3.13Å; F49-F86 HydrophobicContact CD2-CD2 3.13Å; F49-F86 HydrophobicContact CD2-CE1 4.49Å; F49-F86 AromaticContact CD2-CE2 3.23Å; F49-F86 HydrophobicContact CD2-CE2 3.23Å; F49-F86 AromaticContact CD2-CG 3.75Å; F49-F86 HydrophobicContact CD2-CG 3.75Å; F49-F86 AromaticContact CD2-CZ 3.93Å; F49-F86 HydrophobicContact CD2-CZ 3.93Å; F49-F86 HydrophobicContact CE1-CB 4.09Å; F49-F86 HydrophobicContact CE1-CD2 4.36Å; F49-F86 HydrophobicContact CE1-CG 4.43Å; F49-F86 AromaticContact CE2-CD2 3.49Å; F49-F86 HydrophobicContact CE2-CD2 3.49Å; F49-F86 VanDerWaalsContact CE2-CD2 3.49Å; F49-F86 AromaticContact CE2-CE2 3.84Å; F49-F86 HydrophobicContact CE2-CE2 3.84Å; F49-F86 HydrophobicContact CE2-CG 4.28Å; F49-F86 HydrophobicContact CG-CB 3.99Å; F49-F86 AromaticContact CG-CD1 3.99Å; F49-F86 HydrophobicContact CG-CD1 3.99Å; F49-F86 AromaticContact CG-CD2 3.46Å; F49-F86 HydrophobicContact CG-CD2 3.46Å; F49-F86 VanDerWaalsContact CG-CD2 3.46Å; F49-F86 HydrophobicContact CG-CE1 4.31Å; F49-F86 AromaticContact CG-CE2 3.81Å; F49-F86 HydrophobicContact CG-CE2 3.81Å; F49-F86 AromaticContact CG-CG 3.53Å; F49-F86 HydrophobicContact CG-CG 3.53Å; F49-F86 HydrophobicContact CG-CZ 4.2Å; F49-F86 HydrophobicContact CZ-CB 4.49Å; F49-F86 HydrophobicContact CZ-CD2 4.09Å; F86-K88 VanDerWaalsContact CZ-C 3.49Å; F86-Q89 HydrophobicContact CE2-CB 3.92Å; F86-Q89 HydrophobicContact CE2-CG 3.85Å; F86-Q89 HydrophobicContact CZ-CB 4.47Å; F86-Q89 HydrophobicContact CZ-CG 4.16Å; F86-F100 AromaticContact CD2-CE2 3.95Å; F86-F100 HydrophobicContact CD2-CE2 3.95Å; F86-F100 HydrophobicContact CE2-CE2 4.3Å
87	L	96.5	Very high	94.7	Very high	74 Å²	74	61.3 Å²	61.3	39%	0.387	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-55	167.7	-64.4	-178.6	0	0	0	111.5	S101 I103 L165	L87-S101 WeakPolarHBondContact CB-O 3.24Å; L87-S101 PolarHBondContact N-O 2.76Å; L87-I103 HydrophobicContact CD1-CD1 4.17Å; L87-I103 HydrophobicContact CD1-CG1 3.77Å; L87-I103 HydrophobicContact CD2-CD1 4.04Å; L87-I103 HydrophobicContact CD2-CG1 4.19Å; L87-I103 HydrophobicContact CG-CD1 4.46Å; L87-I103 HydrophobicContact CG-CG1 4.1Å; L87-L165 HydrophobicContact CD1-CD1 3.35Å
88	K	96.9	Very high	94.8	Very high	136 Å²	136	61.4 Å²	61.4	59%	0.591	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.3	144.1	-175.2	-170.4	176.7	179.6	-178.2	0	111.3	F86 F100 S101	F86-K88 VanDerWaalsContact CZ-C 3.49Å; K88-F100 CarbonylContact O-C 3.58Å; K88-F100 WeakPolarHBondContact O-CA 3.08Å; K88-S101 WeakPolarHBondContact CB-OG 3.18Å; K88-S101 PolarHBondContact N-O 3.49Å; K88-S101 PolarHBondContact N-OG 3.04Å; K88-S101 PolarHBondContact O-N 2.95Å; K88-S101 PolarHBondContact O-OG 3.4Å
89	Q	97.3	Very high	94.8	Very high	16 Å²	16	58.8 Å²	58.8	8%	0.075	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	156.9	161.7	69.9	-178.2	-12.9	0	0	110.9	D46 F86 S99 F100	D46-Q89 HydrophobicContact CB-CG 3.9Å; D46-Q89 WeakPolarHBondContact O-CG 3.38Å; F86-Q89 HydrophobicContact CE2-CB 3.92Å; F86-Q89 HydrophobicContact CE2-CG 3.85Å; F86-Q89 HydrophobicContact CZ-CB 4.47Å; F86-Q89 HydrophobicContact CZ-CG 4.16Å; Q89-S99 CarbonylContact C-O 3.59Å; Q89-S99 WeakPolarHBondContact CA-O 3.38Å; Q89-F100 HydrophobicContact CB-CD2 3.96Å
90	H	96.2	Very high	94.8	Very high	75 Å²	75	58.3 Å²	58.3	35%	0.347	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	135.1	169.4	178.1	58.1	0	0	0	110	D43 Y98 S99	D43-H90 IonicContact OD1-CE1 3.82Å; H90-Y98 WeakPolarHBondContact O-CA 3.46Å; H90-Y98 WeakPolarHBondContact O-CD2 2.88Å; H90-S99 PolarHBondContact N-O 3.46Å; H90-S99 PolarHBondContact O-N 3.2Å
91	F	95.7	Very high	94.9	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130	169.8	178.9	-123	0	0	0	110.9	R76 P77 H93 E97 Y98 H128	R76-F91 HydrophobicContact CB-CB 4.42Å; R76-F91 HydrophobicContact CB-CD1 3.4Å; R76-F91 HydrophobicContact CB-CE1 3.74Å; R76-F91 HydrophobicContact CB-CG 3.96Å; P77-F91 VanDerWaalsContact CD-CD2 3.5Å; P77-F91 VanDerWaalsContact CD-CE2 3.45Å; P77-F91 HydrophobicContact CG-CD2 4.1Å; P77-F91 HydrophobicContact CG-CE2 4.06Å; F91-H93 AromaticContact CD1-CD2 3.68Å; F91-H93 AromaticContact CD1-CE1 3.76Å; F91-H93 AromaticContact CD1-CG 3.99Å; F91-H93 AromaticContact CD1-NE2 3.52Å; F91-H93 HydrophobicContact CE1-CB 4.37Å; F91-H93 AromaticContact CE1-CD2 3.93Å; F91-H93 AromaticContact CE1-CE1 3.66Å; F91-H93 AromaticContact CE1-CG 3.74Å; F91-H93 AromaticContact CE1-ND1 3.58Å; F91-H93 AromaticContact CE1-NE2 3.88Å; F91-E97 WeakPolarHBondContact CD2-O 3.25Å; F91-Y98 HydrophobicContact CB-CD2 3.98Å; F91-Y98 HydrophobicContact CD2-CD2 4.36Å; F91-H128 AromaticContact CE1-NE2 3.67Å; F91-H128 HydrophobicContact CZ-CB 4.49Å; F91-H128 AromaticContact CZ-CD2 3.57Å; F91-H128 AromaticContact CZ-CE1 3.83Å; F91-H128 AromaticContact CZ-CG 3.78Å; F91-H128 AromaticContact CZ-ND1 3.93Å; F91-H128 AromaticContact CZ-NE2 3.6Å
92	N	93.1	Very high	95	Very high	56 Å²	56	52.8 Å²	52.8	30%	0.299	26%	0.261	S	S	.	.			trans	-99.6	107.1	172.7	-174.5	-45.3	0	0	0	109.8	K94 T95 G96 E97	N92-K94 PolarHBondContact O-N 3.1Å; N92-K94 WeakPolarHBondContact OD1-CA 3.18Å; N92-K94 WeakPolarHBondContact OD1-CB 3.4Å; N92-K94 PolarHBondContact OD1-N 2.82Å; N92-T95 WeakPolarHBondContact CB-OG1 3.27Å; N92-T95 VanDerWaalsContact CG-OG1 3.29Å; N92-T95 PolarHBondContact O-N 3.32Å; N92-T95 PolarHBondContact OD1-N 3.33Å; N92-T95 PolarHBondContact OD1-OG1 2.97Å; N92-G96 VanDerWaalsContact O-CA 3.25Å; N92-G96 WeakPolarHBondContact O-CA 3.32Å; N92-G96 PolarHBondContact O-N 3.49Å; N92-E97 PolarHBondContact N-O 2.96Å
93	H	87.1	Confident	95	Very high	30 Å²	30	52.6 Å²	52.6	14%	0.139	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-33	-179	-73.3	-98.2	0	0	0	113.5	Q72 S73 F91 R172	Q72-H93 PolarHBondContact O-ND1 3.06Å; S73-H93 VanDerWaalsContact C-CE1 3.49Å; S73-H93 PolarHBondContact O-CE1 2.85Å; F91-H93 AromaticContact CD1-CD2 3.68Å; F91-H93 AromaticContact CD1-CE1 3.76Å; F91-H93 AromaticContact CD1-CG 3.99Å; F91-H93 AromaticContact CD1-NE2 3.52Å; F91-H93 HydrophobicContact CE1-CB 4.37Å; F91-H93 AromaticContact CE1-CD2 3.93Å; F91-H93 AromaticContact CE1-CE1 3.66Å; F91-H93 AromaticContact CE1-CG 3.74Å; F91-H93 AromaticContact CE1-ND1 3.58Å; F91-H93 AromaticContact CE1-NE2 3.88Å; H93-R172 PolarHBondContact O-NH2 2.96Å
94	K	86.7	Confident	95	Very high	183 Å²	183	50.1 Å²	50.1	80%	0.796	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-51	-178.5	-176.1	179.7	179.8	179.2	0	111.4	N92 R172	N92-K94 PolarHBondContact O-N 3.1Å; N92-K94 WeakPolarHBondContact OD1-CA 3.18Å; N92-K94 WeakPolarHBondContact OD1-CB 3.4Å; N92-K94 PolarHBondContact OD1-N 2.82Å; K94-R172 PolarHBondContact O-NH1 3.12Å
95	T	93.1	Very high	94.7	Very high	61 Å²	61	52.8 Å²	52.8	37%	0.374	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-19.6	-175.2	64.4	0	0	0	0	113.2	N92 E97 R172	N92-T95 WeakPolarHBondContact CB-OG1 3.27Å; N92-T95 VanDerWaalsContact CG-OG1 3.29Å; N92-T95 PolarHBondContact O-N 3.32Å; N92-T95 PolarHBondContact OD1-N 3.33Å; N92-T95 PolarHBondContact OD1-OG1 2.97Å; T95-E97 PolarHBondContact O-N 2.86Å; T95-E97 WeakPolarHBondContact OG1-CB 3.47Å; T95-E97 PolarHBondContact OG1-N 2.99Å; T95-R172 VanDerWaalsContact O-CD 3.27Å; T95-R172 WeakPolarHBondContact O-CD 3.11Å; T95-R172 WeakPolarHBondContact O-CG 3.36Å
96	G	94.4	Very high	93.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.			trans	69.2	11.5	-169	0	0	0	0	0	113.8	N92 Y98 Y129	N92-G96 VanDerWaalsContact O-CA 3.25Å; N92-G96 WeakPolarHBondContact O-CA 3.32Å; N92-G96 PolarHBondContact O-N 3.49Å; G96-Y98 PolarHBondContact O-N 3.35Å; G96-Y129 WeakPolarHBondContact O-CE1 3.34Å; G96-Y129 PolarHBondContact O-OH 3.34Å
97	E	97.3	Very high	92.3	Very high	68 Å²	68	47 Å²	47	32%	0.318	24%	0.238	S	C	.	.			trans	-66.7	130.8	171.6	-90.5	-175.7	121.9	0	0	109.8	F91 N92 T95 K169 M170 V171	F91-E97 WeakPolarHBondContact CD2-O 3.25Å; N92-E97 PolarHBondContact N-O 2.96Å; T95-E97 PolarHBondContact O-N 2.86Å; T95-E97 WeakPolarHBondContact OG1-CB 3.47Å; T95-E97 PolarHBondContact OG1-N 2.99Å; E97-K169 WeakPolarHBondContact OE1-CE 3.39Å; E97-K169 IonicContact OE1-NZ 2.77Å; E97-K169 PolarHBondContact OE1-NZ 3.08Å; E97-M170 WeakPolarHBondContact CA-O 3.3Å; E97-V171 HydrophobicContact CG-CB 4.43Å; E97-V171 HydrophobicContact CG-CG1 4.12Å; E97-V171 HydrophobicContact CG-CG2 4.07Å
98	Y	97.9	Very high	90.6	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.9	175.2	177.8	-115.6	0	0	0	109.7	P77 P79 H90 F91 G96 F100 I121 M168 K169 M170	P77-Y98 HydrophobicContact CB-CD1 3.67Å; P77-Y98 HydrophobicContact CB-CD2 3.98Å; P77-Y98 HydrophobicContact CB-CE1 3.93Å; P77-Y98 HydrophobicContact CB-CE2 4.22Å; P77-Y98 HydrophobicContact CB-CG 3.68Å; P77-Y98 HydrophobicContact CG-CD1 4.34Å; P77-Y98 HydrophobicContact CG-CD2 4.35Å; P77-Y98 HydrophobicContact CG-CG 3.97Å; P77-Y98 WeakPolarHBondContact O-CE2 3.44Å; P79-Y98 WeakPolarHBondContact CD-OH 3.48Å; H90-Y98 WeakPolarHBondContact O-CA 3.46Å; H90-Y98 WeakPolarHBondContact O-CD2 2.88Å; F91-Y98 HydrophobicContact CB-CD2 3.98Å; F91-Y98 HydrophobicContact CD2-CD2 4.36Å; G96-Y98 PolarHBondContact O-N 3.35Å; Y98-F100 HydrophobicContact CE1-CB 3.75Å; Y98-I121 HydrophobicContact CE1-CG2 4.21Å; Y98-M168 HydrophobicContact CD1-CE 4.11Å; Y98-M168 HydrophobicContact CE1-CE 4.37Å; Y98-M168 HydrophobicContact CE1-SD 4.48Å; Y98-K169 CarbonylContact O-C 3.49Å; Y98-K169 WeakPolarHBondContact O-CA 3.34Å; Y98-M170 HydrophobicContact CD1-CE 4.02Å; Y98-M170 HydrophobicContact CG-CE 4.27Å; Y98-M170 PolarHBondContact N-O 3.23Å; Y98-M170 PolarHBondContact O-N 3.41Å
99	S	98	Very high	88.8	Confident	44 Å²	44	52.9 Å²	52.9	31%	0.308	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.5	173.4	56.7	0	0	0	0	110	Q89 H90 M168	Q89-S99 CarbonylContact C-O 3.59Å; Q89-S99 WeakPolarHBondContact CA-O 3.38Å; H90-S99 PolarHBondContact N-O 3.46Å; H90-S99 PolarHBondContact O-N 3.2Å; S99-M168 VanDerWaalsContact CA-O 3.28Å; S99-M168 WeakPolarHBondContact CA-O 3.37Å
100	F	98.4	Very high	86.9	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	136.7	178.6	178.8	-128.5	0	0	0	110.2	F49 P79 T82 F86 K88 Q89 Y98 F102 I121 M168	F49-F100 HydrophobicContact CE2-CE2 4.24Å; P79-F100 HydrophobicContact CB-CE1 3.89Å; P79-F100 HydrophobicContact CB-CE2 4.28Å; P79-F100 HydrophobicContact CB-CZ 3.71Å; P79-F100 HydrophobicContact CG-CD2 4.36Å; P79-F100 HydrophobicContact CG-CE1 4.25Å; P79-F100 HydrophobicContact CG-CE2 3.74Å; P79-F100 HydrophobicContact CG-CZ 3.68Å; T82-F100 HydrophobicContact CG2-CZ 4.27Å; F86-F100 AromaticContact CD2-CE2 3.95Å; F86-F100 HydrophobicContact CD2-CE2 3.95Å; F86-F100 HydrophobicContact CE2-CE2 4.3Å; K88-F100 CarbonylContact O-C 3.58Å; K88-F100 WeakPolarHBondContact O-CA 3.08Å; Q89-F100 HydrophobicContact CB-CD2 3.96Å; Y98-F100 HydrophobicContact CE1-CB 3.75Å; F100-F102 AromaticContact CD1-CD1 3.97Å; F100-F102 HydrophobicContact CD1-CD1 3.97Å; F100-F102 HydrophobicContact CD1-CE1 4.24Å; F100-F102 AromaticContact CE1-CD1 3.35Å; F100-F102 HydrophobicContact CE1-CD1 3.35Å; F100-F102 AromaticContact CE1-CE1 3.68Å; F100-F102 HydrophobicContact CE1-CE1 3.68Å; F100-F102 HydrophobicContact CE1-CG 4.29Å; F100-F102 HydrophobicContact CZ-CB 4.27Å; F100-F102 AromaticContact CZ-CD1 3.73Å; F100-F102 HydrophobicContact CZ-CD1 3.73Å; F100-F102 HydrophobicContact CZ-CE1 4.43Å; F100-F102 HydrophobicContact CZ-CG 4.27Å; F100-I121 HydrophobicContact CD1-CD1 3.92Å; F100-I121 HydrophobicContact CE1-CD1 4.41Å; F100-M168 HydrophobicContact CB-CB 4.44Å; F100-M168 PolarHBondContact N-O 3.31Å; F100-M168 PolarHBondContact O-N 3.16Å
101	S	98.3	Very high	85	Confident	20 Å²	20	61 Å²	61	14%	0.14	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	140.3	178.3	58	0	0	0	0	112	L87 K88 V166	L87-S101 WeakPolarHBondContact CB-O 3.24Å; L87-S101 PolarHBondContact N-O 2.76Å; K88-S101 WeakPolarHBondContact CB-OG 3.18Å; K88-S101 PolarHBondContact N-O 3.49Å; K88-S101 PolarHBondContact N-OG 3.04Å; K88-S101 PolarHBondContact O-N 2.95Å; K88-S101 PolarHBondContact O-OG 3.4Å; S101-V166 WeakPolarHBondContact CA-O 3.3Å
102	F	97.6	Very high	83.2	Confident	1 Å²	1	63.5 Å²	63.5	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	162.7	178.9	68.8	-82	0	0	0	110.4	T82 R85 F100 T104 I118 A119 V166	T82-F102 HydrophobicContact CG2-CB 4.06Å; T82-F102 HydrophobicContact CG2-CD1 3.99Å; T82-F102 HydrophobicContact CG2-CD2 3.26Å; T82-F102 HydrophobicContact CG2-CE1 4.21Å; T82-F102 HydrophobicContact CG2-CE2 3.52Å; T82-F102 HydrophobicContact CG2-CG 3.51Å; T82-F102 HydrophobicContact CG2-CZ 3.98Å; R85-F102 CarbonylContact O-C 3.57Å; R85-F102 VanDerWaalsContact O-CA 3.25Å; R85-F102 WeakPolarHBondContact O-CA 3.39Å; R85-F102 WeakPolarHBondContact O-CB 3.5Å; F100-F102 AromaticContact CD1-CD1 3.97Å; F100-F102 HydrophobicContact CD1-CD1 3.97Å; F100-F102 HydrophobicContact CD1-CE1 4.24Å; F100-F102 AromaticContact CE1-CD1 3.35Å; F100-F102 HydrophobicContact CE1-CD1 3.35Å; F100-F102 AromaticContact CE1-CE1 3.68Å; F100-F102 HydrophobicContact CE1-CE1 3.68Å; F100-F102 HydrophobicContact CE1-CG 4.29Å; F100-F102 HydrophobicContact CZ-CB 4.27Å; F100-F102 AromaticContact CZ-CD1 3.73Å; F100-F102 HydrophobicContact CZ-CD1 3.73Å; F100-F102 HydrophobicContact CZ-CE1 4.43Å; F100-F102 HydrophobicContact CZ-CG 4.27Å; F102-T104 HydrophobicContact CE2-CG2 3.95Å; F102-I118 HydrophobicContact CE2-CB 4.33Å; F102-I118 HydrophobicContact CZ-CB 4.27Å; F102-I118 HydrophobicContact CZ-CD1 4Å; F102-I118 HydrophobicContact CZ-CG1 4.25Å; F102-A119 HydrophobicContact CE1-CB 4.16Å; F102-A119 HydrophobicContact CZ-CB 3.98Å; F102-V166 HydrophobicContact CD1-CB 3.99Å; F102-V166 HydrophobicContact CD1-CG1 4.18Å; F102-V166 HydrophobicContact CE1-CB 3.63Å; F102-V166 HydrophobicContact CE1-CG1 3.49Å; F102-V166 VanDerWaalsContact CE1-CG1 3.49Å; F102-V166 HydrophobicContact CE1-CG2 4.32Å; F102-V166 HydrophobicContact CE2-CB 4.3Å; F102-V166 HydrophobicContact CE2-CG2 4.24Å; F102-V166 HydrophobicContact CG-CB 4.47Å; F102-V166 HydrophobicContact CZ-CB 3.82Å; F102-V166 HydrophobicContact CZ-CG1 3.87Å; F102-V166 HydrophobicContact CZ-CG2 3.98Å; F102-V166 PolarHBondContact N-O 3.03Å; F102-V166 PolarHBondContact O-N 3.42Å
103	I	95.8	Very high	81.6	Confident	39 Å²	39	69.8 Å²	69.8	20%	0.2	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.3	173.3	-58.9	177.5	0	0	0	108.2	G84 R85 L87 H163 V164 L165	G84-I103 CarbonylContact C-O 3.58Å; G84-I103 WeakPolarHBondContact CA-O 3.25Å; R85-I103 PolarHBondContact N-O 3.19Å; R85-I103 PolarHBondContact O-N 3.26Å; L87-I103 HydrophobicContact CD1-CD1 4.17Å; L87-I103 HydrophobicContact CD1-CG1 3.77Å; L87-I103 HydrophobicContact CD2-CD1 4.04Å; L87-I103 HydrophobicContact CD2-CG1 4.19Å; L87-I103 HydrophobicContact CG-CD1 4.46Å; L87-I103 HydrophobicContact CG-CG1 4.1Å; I103-H163 HydrophobicContact CG2-CB 3.68Å; I103-V164 WeakPolarHBondContact CA-O 3.49Å; I103-L165 HydrophobicContact CG1-CD1 4.4Å
104	T	93.5	Very high	80.8	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	144.2	-179.5	62	0	0	0	0	111.7	N83 F102 I118 E162 H163 V164 V166	N83-T104 WeakPolarHBondContact O-CA 3.39Å; F102-T104 HydrophobicContact CE2-CG2 3.95Å; T104-I118 HydrophobicContact CG2-CB 4.42Å; T104-I118 HydrophobicContact CG2-CD1 4.13Å; T104-I118 HydrophobicContact CG2-CG2 4.09Å; T104-E162 PolarHBondContact OG1-O 3.19Å; T104-H163 PolarHBondContact O-ND1 3.11Å; T104-V164 HydrophobicContact CG2-CB 4.17Å; T104-V164 PolarHBondContact N-O 2.96Å; T104-V164 PolarHBondContact OG1-N 3.48Å; T104-V166 HydrophobicContact CG2-CG2 3.8Å
105	N	85.9	Confident	80.4	Confident	86 Å²	86	71.7 Å²	71.7	46%	0.46	35%	0.348	S	S	.	.			trans	-104.7	87.3	169.5	-167.1	14.6	0	0	0	109.1	N83	N83-N105 PolarHBondContact O-N 3.31Å; N83-N105 PolarHBondContact OD1-O 2.82Å
106	Q	74.3	Confident	80.1	Confident	16 Å²	16	69.5 Å²	69.5	8%	0.075	33%	0.334	C	S	.	.			trans	-87.9	119.2	176	-60.5	-59.3	-70	0	0	108.9	N116 L155	Q106-N116 PolarHBondContact OE1-ND2 3.4Å; Q106-L155 HydrophobicContact CG-CD2 3.82Å
107	T	64.9	Low	80	Confident	74 Å²	74	72.7 Å²	72.7	45%	0.454	35%	0.351	S	S	.	.			trans	-87.4	131.9	168.5	57	0	0	0	0	108.3	N109 Q110	T107-N109 PolarHBondContact O-N 3Å; T107-Q110 PolarHBondContact O-N 3.45Å
108	R	61	Low	79.8	Confident	194 Å²	194	69.5 Å²	69.5	73%	0.732	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-7.5	-174.9	-70.7	-175.3	-175.8	175.6	1	115.4	Y111	R108-Y111 WeakPolarHBondContact O-CE2 3.17Å; R108-Y111 VanDerWaalsContact O-CZ 3.28Å; R108-Y111 PolarHBondContact O-OH 2.86Å
109	N	57.8	Low	79.8	Confident	140 Å²	140	69.4 Å²	69.4	75%	0.749	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	1.3	-173.8	-63.8	-14.3	0	0	0	113.6	T107 Y111	T107-N109 PolarHBondContact O-N 3Å; N109-Y111 PolarHBondContact O-N 2.87Å
110	Q	57.2	Low	79.8	Confident	84 Å²	84	70.5 Å²	70.5	39%	0.393	34%	0.336	S	S	.	.			trans	-83.2	62.2	175.8	-69.9	-176.4	-30.2	0	0	111.4	T107 S112	T107-Q110 PolarHBondContact O-N 3.45Å; Q110-S112 PolarHBondContact O-N 3.16Å; Q110-S112 VanDerWaalsContact O-N 3.11Å
111	Y	56.2	Low	79.8	Confident	178 Å²	178	70.3 Å²	70.3	70%	0.698	34%	0.335	S	S	*	.			trans	-82	41.4	173.2	-66	-78.3	0	0	0	112.6	R108 N109	R108-Y111 WeakPolarHBondContact O-CE2 3.17Å; R108-Y111 VanDerWaalsContact O-CZ 3.28Å; R108-Y111 PolarHBondContact O-OH 2.86Å; N109-Y111 PolarHBondContact O-N 2.87Å
112	S	58.6	Low	79.8	Confident	54 Å²	54	71.9 Å²	71.9	38%	0.378	34%	0.338	S	S	.	.			trans	-79.6	132.8	170.5	150	0	0	0	0	108.5	Q110 K114 R160	Q110-S112 PolarHBondContact O-N 3.16Å; Q110-S112 VanDerWaalsContact O-N 3.11Å; S112-K114 PolarHBondContact O-N 3.23Å; S112-K114 VanDerWaalsContact O-N 3.08Å; S112-K114 WeakPolarHBondContact OG-CB 3.46Å; S112-K114 PolarHBondContact OG-N 3.24Å; S112-K114 PolarHBondContact OG-O 3.26Å; S112-R160 PolarHBondContact O-NH1 3.41Å; S112-R160 PolarHBondContact O-NH2 2.97Å
113	E	60.5	Low	79.8	Confident	187 Å²	187	71.9 Å²	71.9	87%	0.874	34%	0.338	S	S	*	.	S	Bend	trans	-58.6	-21.2	173.2	-67.8	-175.9	164.7	0	0	112.5	R160	E113-R160 PolarHBondContact O-NH2 2.61Å
114	K	70	Confident	79.9	Confident	164 Å²	164	70 Å²	70	71%	0.713	33%	0.329	S	S	*	.	S	Bend	trans	-79.1	137.4	-179.1	-56.5	-175.3	177.7	-177	0	113	S112 N116 R160	S112-K114 PolarHBondContact O-N 3.23Å; S112-K114 VanDerWaalsContact O-N 3.08Å; S112-K114 WeakPolarHBondContact OG-CB 3.46Å; S112-K114 PolarHBondContact OG-N 3.24Å; S112-K114 PolarHBondContact OG-O 3.26Å; K114-N116 PolarHBondContact O-OD1 3.17Å; K114-R160 PolarHBondContact O-NH2 3.1Å
115	Q	77.9	Confident	80	Confident	90 Å²	90	72.4 Å²	72.4	42%	0.421	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-47.3	142.8	176.5	-63.5	-179.5	-27	0	0	111.3	T143 Y154 R160	Q115-T143 VanDerWaalsContact CD-OG1 3.28Å; Q115-T143 PolarHBondContact NE2-OG1 3Å; Q115-T143 PolarHBondContact OE1-OG1 3.25Å; Q115-Y154 HydrophobicContact CB-CD1 4.21Å; Q115-Y154 HydrophobicContact CB-CG 4.37Å; Q115-R160 VanDerWaalsContact N-NH2 3.18Å
116	N	86.4	Confident	80.4	Confident	14 Å²	14	72.8 Å²	72.8	8%	0.075	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.2	-175.5	-70.5	-10.2	0	0	0	109	Q106 K114 I118 Y154 L155	Q106-N116 PolarHBondContact OE1-ND2 3.4Å; K114-N116 PolarHBondContact O-OD1 3.17Å; N116-I118 PolarHBondContact O-N 3.26Å; N116-Y154 CarbonylContact O-C 3.48Å; N116-Y154 VanDerWaalsContact O-CA 3.27Å; N116-Y154 WeakPolarHBondContact O-CA 3.28Å; N116-L155 HydrophobicContact CB-CB 4.43Å; N116-L155 PolarHBondContact N-O 2.7Å; N116-L155 PolarHBondContact O-N 3Å
117	L	92.1	Very high	81.3	Confident	67 Å²	67	73.4 Å²	73.4	35%	0.351	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	122.7	171.2	178.8	65.9	0	0	0	109	E120 Y154	L117-E120 HydrophobicContact CD1-CG 4.18Å; L117-E120 HydrophobicContact CD2-CG 4.09Å; L117-Y154 HydrophobicContact CB-CD1 3.98Å; L117-Y154 HydrophobicContact CB-CE1 3.85Å; L117-Y154 HydrophobicContact CD1-CD1 4.21Å; L117-Y154 HydrophobicContact CD1-CE1 3.8Å; L117-Y154 HydrophobicContact CD1-CE2 4.35Å; L117-Y154 HydrophobicContact CG-CE1 4.39Å
118	I	94.2	Very high	82.8	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	-22	-176	55.3	166.7	0	0	0	114.1	T82 N83 F102 T104 N116 L142 I153 L155 V166	T82-I118 CarbonylContact C-O 3.5Å; T82-I118 WeakPolarHBondContact CA-O 3.33Å; N83-I118 PolarHBondContact N-O 2.91Å; F102-I118 HydrophobicContact CE2-CB 4.33Å; F102-I118 HydrophobicContact CZ-CB 4.27Å; F102-I118 HydrophobicContact CZ-CD1 4Å; F102-I118 HydrophobicContact CZ-CG1 4.25Å; T104-I118 HydrophobicContact CG2-CB 4.42Å; T104-I118 HydrophobicContact CG2-CD1 4.13Å; T104-I118 HydrophobicContact CG2-CG2 4.09Å; N116-I118 PolarHBondContact O-N 3.26Å; I118-L142 HydrophobicContact CD1-CD2 4.02Å; I118-I153 HydrophobicContact CD1-CG2 3.94Å; I118-I153 HydrophobicContact CG1-CB 4.21Å; I118-I153 HydrophobicContact CG1-CG2 4.01Å; I118-I153 WeakPolarHBondContact CG1-O 3.13Å; I118-I153 PolarHBondContact N-O 3.33Å; I118-L155 HydrophobicContact CD1-CB 4.23Å; I118-L155 HydrophobicContact CD1-CD1 4.48Å; I118-L155 HydrophobicContact CG2-CB 3.71Å; I118-V166 HydrophobicContact CD1-CG2 3.91Å
119	A	97	Very high	84.4	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	149.3	173.1	0	0	0	0	0	111.3	S81 F102 I121 S152 I153	S81-A119 WeakPolarHBondContact O-CA 3.43Å; F102-A119 HydrophobicContact CE1-CB 4.16Å; F102-A119 HydrophobicContact CZ-CB 3.98Å; A119-I121 HydrophobicContact CB-CG1 4.36Å; A119-S152 WeakPolarHBondContact O-CA 3.46Å; A119-I153 HydrophobicContact CB-CB 4.36Å; A119-I153 HydrophobicContact CB-CD1 4.45Å; A119-I153 PolarHBondContact N-O 3.3Å; A119-I153 PolarHBondContact O-N 2.87Å
120	E	98.5	Very high	86.2	Confident	66 Å²	66	59 Å²	59	31%	0.308	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121.8	164.2	-63.2	171.3	117	0	0	107.8	P79 Q80 S81 L117 T150 L151	P79-E120 CarbonylContact C-O 3.51Å; P79-E120 WeakPolarHBondContact CA-O 3.24Å; Q80-E120 PolarHBondContact N-O 2.93Å; S81-E120 PolarHBondContact N-O 2.94Å; S81-E120 PolarHBondContact O-N 2.81Å; S81-E120 WeakPolarHBondContact OG-CB 3.46Å; S81-E120 WeakPolarHBondContact OG-CG 3.21Å; S81-E120 PolarHBondContact OG-N 3.02Å; S81-E120 PolarHBondContact OG-OE2 3.06Å; L117-E120 HydrophobicContact CD1-CG 4.18Å; L117-E120 HydrophobicContact CD2-CG 4.09Å; E120-T150 HydrophobicContact CB-CG2 4.04Å; E120-L151 WeakPolarHBondContact CA-O 3.31Å
121	I	98.4	Very high	88.1	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.7	-174	-57.9	177	0	0	0	108	Y78 P79 Y98 F100 A119 I123 L151 I153 M168	Y78-I121 WeakPolarHBondContact O-CA 3.35Å; P79-I121 HydrophobicContact CB-CG1 4.49Å; Y98-I121 HydrophobicContact CE1-CG2 4.21Å; F100-I121 HydrophobicContact CD1-CD1 3.92Å; F100-I121 HydrophobicContact CE1-CD1 4.41Å; A119-I121 HydrophobicContact CB-CG1 4.36Å; I121-I123 HydrophobicContact CG2-CG1 4.27Å; I121-L151 HydrophobicContact CB-CB 4.47Å; I121-L151 PolarHBondContact N-O 3.43Å; I121-L151 PolarHBondContact O-N 3.17Å; I121-I153 HydrophobicContact CD1-CD1 3.66Å; I121-M168 HydrophobicContact CD1-CE 4.32Å; I121-M168 HydrophobicContact CD1-SD 3.31Å; I121-M168 WeakPolarHBondContact CD1-SD 3.36Å
122	Y	98.4	Very high	90	Very high	54 Å²	54	54.2 Å²	54.2	21%	0.212	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	134.1	169.8	179.3	-102.2	0	0	0	109.2	I75 P77 Y78 P124 N149	I75-Y122 HydrophobicContact CD1-CE1 4.29Å; I75-Y122 HydrophobicContact CG1-CE1 4.11Å; P77-Y122 WeakPolarHBondContact CA-O 3.29Å; Y78-Y122 AromaticContact CD1-CD1 3.97Å; Y78-Y122 HydrophobicContact CD1-CD1 3.97Å; Y78-Y122 HydrophobicContact CD1-CG 4.31Å; Y78-Y122 AromaticContact CE1-CD1 3.62Å; Y78-Y122 HydrophobicContact CE1-CD1 3.62Å; Y78-Y122 AromaticContact CE1-CG 3.78Å; Y78-Y122 HydrophobicContact CE1-CG 3.78Å; Y78-Y122 PolarHBondContact N-O 3.41Å; Y78-Y122 PolarHBondContact O-N 2.86Å; Y122-P124 HydrophobicContact CE1-CB 3.82Å; Y122-P124 HydrophobicContact CE1-CG 4.33Å; Y122-N149 CarbonylContact C-O 3.53Å; Y122-N149 WeakPolarHBondContact CA-O 3.21Å; Y122-N149 HydrophobicContact CD2-CB 3.91Å; Y122-N149 HydrophobicContact CE2-CB 3.5Å; Y122-N149 VanDerWaalsContact CE2-CB 3.5Å; Y122-N149 PolarHBondContact OH-ND2 3.48Å
123	I	97.9	Very high	91.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.28	C	S	.	.			trans	-127.4	112.9	177	-58	-171.1	0	0	0	107.8	I121 L125 Y129 Y133 M146 N149 L151 M168 M170	I121-I123 HydrophobicContact CG2-CG1 4.27Å; I123-L125 VanDerWaalsContact C-N 3.27Å; I123-L125 HydrophobicContact CB-CD2 4.45Å; I123-L125 HydrophobicContact CG2-CD2 3.71Å; I123-L125 HydrophobicContact CG2-CG 4.37Å; I123-L125 PolarHBondContact O-N 2.85Å; I123-Y129 HydrophobicContact CG2-CD2 3.72Å; I123-Y129 HydrophobicContact CG2-CE2 3.97Å; I123-Y133 HydrophobicContact CD1-CE2 4.39Å; I123-Y133 HydrophobicContact CG2-CE1 4.44Å; I123-M146 HydrophobicContact CB-CE 4.31Å; I123-M146 HydrophobicContact CD1-CE 3.81Å; I123-M146 HydrophobicContact CG1-CE 4.38Å; I123-N149 PolarHBondContact N-O 3.17Å; I123-N149 VanDerWaalsContact O-CB 3.22Å; I123-N149 WeakPolarHBondContact O-CB 3.41Å; I123-N149 VanDerWaalsContact O-CG 3.28Å; I123-L151 HydrophobicContact CD1-CB 3.69Å; I123-L151 HydrophobicContact CD1-CD2 3.89Å; I123-L151 HydrophobicContact CD1-CG 4.34Å; I123-L151 HydrophobicContact CG1-CB 4.26Å; I123-M168 HydrophobicContact CD1-CE 4.44Å; I123-M170 HydrophobicContact CD1-CE 4.35Å; I123-M170 HydrophobicContact CD1-SD 3.86Å; I123-M170 HydrophobicContact CG1-CE 4.46Å; I123-M170 HydrophobicContact CG2-CE 4.25Å; I123-M170 HydrophobicContact CG2-SD 4.08Å
124	P	96.7	Very high	93.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.257	C	S	.	.			trans	-76.4	75.6	179.8	29.5	-34.1	0	0	0	112	I75 Y122 S126 V127 H128 Y129	I75-P124 HydrophobicContact CD1-CB 3.5Å; I75-P124 HydrophobicContact CG1-CB 3.66Å; I75-P124 HydrophobicContact CG1-CG 4.22Å; I75-P124 HydrophobicContact CG2-CB 4.31Å; Y122-P124 HydrophobicContact CE1-CB 3.82Å; Y122-P124 HydrophobicContact CE1-CG 4.33Å; P124-S126 VanDerWaalsContact C-N 3.35Å; P124-S126 PolarHBondContact O-N 3.35Å; P124-V127 HydrophobicContact CB-CB 4.49Å; P124-V127 PolarHBondContact O-N 3.18Å; P124-H128 HydrophobicContact CG-CB 4.26Å; P124-H128 PolarHBondContact O-N 2.88Å; P124-Y129 HydrophobicContact CG-CE2 4.42Å
125	L	96.8	Very high	94.9	Very high	50 Å²	50	41.8 Å²	41.8	26%	0.262	23%	0.234	S	C	.	.	H	α-helix	trans	-54.3	-46.9	-173.6	-64.6	177.7	0	0	0	112.6	I123 V127 Y129 P130 Y133 M146 G148	I123-L125 VanDerWaalsContact C-N 3.27Å; I123-L125 HydrophobicContact CB-CD2 4.45Å; I123-L125 HydrophobicContact CG2-CD2 3.71Å; I123-L125 HydrophobicContact CG2-CG 4.37Å; I123-L125 PolarHBondContact O-N 2.85Å; L125-V127 VanDerWaalsContact C-N 3.32Å; L125-V127 PolarHBondContact O-N 3.25Å; L125-Y129 CarbonylContact O-C 3.53Å; L125-Y129 WeakPolarHBondContact O-CA 3.32Å; L125-Y129 PolarHBondContact O-N 3.37Å; L125-Y129 VanDerWaalsContact O-N 3.16Å; L125-P130 WeakPolarHBondContact O-CA 3.33Å; L125-Y133 HydrophobicContact CD2-CD1 3.99Å; L125-Y133 HydrophobicContact CD2-CE1 3.64Å; L125-M146 HydrophobicContact CD2-CE 4.43Å; L125-G148 WeakPolarHBondContact CD1-O 3.33Å
126	S	94.2	Very high	95.8	Very high	94 Å²	94	42.5 Å²	42.5	66%	0.657	24%	0.241	S	C	*	.	H	α-helix	trans	-71.2	-22.5	-176.4	54.5	0	0	0	0	114.8	P124	P124-S126 VanDerWaalsContact C-N 3.35Å; P124-S126 PolarHBondContact O-N 3.35Å
127	V	93.4	Very high	96.3	Very high	30 Å²	30	43.4 Å²	43.4	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-100.9	-51.5	-174.1	-176.3	0	0	0	0	111.5	V71 Q72 I75 P124 L125	V71-V127 HydrophobicContact CG1-CG1 4.4Å; V71-V127 HydrophobicContact CG1-CG2 4.05Å; Q72-V127 HydrophobicContact CB-CG1 4.41Å; Q72-V127 HydrophobicContact CG-CG1 3.59Å; I75-V127 HydrophobicContact CD1-CB 4.49Å; I75-V127 HydrophobicContact CD1-CG2 3.95Å; I75-V127 HydrophobicContact CG2-CB 3.87Å; I75-V127 HydrophobicContact CG2-CG1 3.59Å; I75-V127 HydrophobicContact CG2-CG2 4.16Å; P124-V127 HydrophobicContact CB-CB 4.49Å; P124-V127 PolarHBondContact O-N 3.18Å; L125-V127 VanDerWaalsContact C-N 3.32Å; L125-V127 PolarHBondContact O-N 3.25Å
128	H	94.6	Very high	96.5	Very high	6 Å²	6	44 Å²	44	3%	0.028	25%	0.249	C	C	.	.	H	α-helix	trans	-104.4	-15.5	-173.8	-72.2	-55.8	0	0	0	113.5	Q72 I75 F91 P124 P130 R172	Q72-H128 PolarHBondContact O-CE1 3.38Å; Q72-H128 VanDerWaalsContact O-CE1 3.27Å; Q72-H128 PolarHBondContact O-NE2 2.82Å; I75-H128 PolarHBondContact O-CD2 2.95Å; I75-H128 PolarHBondContact O-NE2 2.68Å; F91-H128 AromaticContact CE1-NE2 3.67Å; F91-H128 HydrophobicContact CZ-CB 4.49Å; F91-H128 AromaticContact CZ-CD2 3.57Å; F91-H128 AromaticContact CZ-CE1 3.83Å; F91-H128 AromaticContact CZ-CG 3.78Å; F91-H128 AromaticContact CZ-ND1 3.93Å; F91-H128 AromaticContact CZ-NE2 3.6Å; P124-H128 HydrophobicContact CG-CB 4.26Å; P124-H128 PolarHBondContact O-N 2.88Å; H128-P130 VanDerWaalsContact C-CD 3.45Å; H128-R172 PolarHBondContact ND1-NH2 3.24Å; H128-R172 WeakPolarHBondContact O-CD 3.46Å; H128-R172 VanDerWaalsContact O-CG 3.32Å; H128-R172 WeakPolarHBondContact O-CG 3.49Å; H128-R172 PolarHBondContact O-NE 2.91Å
129	Y	96.4	Very high	96.6	Very high	6 Å²	6	45 Å²	45	2%	0.024	26%	0.256	C	S	.	.			trans	-135.3	45	-176.6	-49.9	-80.2	0	0	0	113.3	P77 G96 I123 P124 L125 N131 G132 Y133 M170 R172	P77-Y129 HydrophobicContact CG-CE2 3.85Å; P77-Y129 VanDerWaalsContact CG-OH 3.3Å; P77-Y129 WeakPolarHBondContact CG-OH 3.45Å; G96-Y129 WeakPolarHBondContact O-CE1 3.34Å; G96-Y129 PolarHBondContact O-OH 3.34Å; I123-Y129 HydrophobicContact CG2-CD2 3.72Å; I123-Y129 HydrophobicContact CG2-CE2 3.97Å; P124-Y129 HydrophobicContact CG-CE2 4.42Å; L125-Y129 CarbonylContact O-C 3.53Å; L125-Y129 WeakPolarHBondContact O-CA 3.32Å; L125-Y129 PolarHBondContact O-N 3.37Å; L125-Y129 VanDerWaalsContact O-N 3.16Å; Y129-N131 PolarHBondContact O-N 2.96Å; Y129-G132 WeakPolarHBondContact O-CA 3.31Å; Y129-G132 PolarHBondContact O-N 3.13Å; Y129-Y133 HydrophobicContact CD1-CG 4.44Å; Y129-Y133 HydrophobicContact CG-CD1 4.42Å; Y129-M170 HydrophobicContact CE1-CE 4.14Å; Y129-M170 HydrophobicContact CE1-CG 4.15Å; Y129-M170 HydrophobicContact CE1-SD 4.13Å; Y129-M170 HydrophobicContact CE2-CE 3.75Å; Y129-M170 HydrophobicContact CE2-SD 4.27Å; Y129-M170 VanDerWaalsContact CZ-CE 3.43Å; Y129-M170 WeakPolarHBondContact OH-CE 3.37Å; Y129-R172 HydrophobicContact CD1-CB 4.4Å; Y129-R172 HydrophobicContact CD1-CG 3.63Å; Y129-R172 HydrophobicContact CE1-CG 3.6Å
130	P	95.7	Very high	96.4	Very high	92 Å²	92	52.2 Å²	52.2	60%	0.597	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.7	-175.1	26.6	-35.6	0	0	0	112.8	L125 H128	L125-P130 WeakPolarHBondContact O-CA 3.33Å; H128-P130 VanDerWaalsContact C-CD 3.45Å
131	N	96.4	Very high	96.1	Very high	136 Å²	136	51.7 Å²	51.7	73%	0.727	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	7.7	176.1	-57.1	-33.5	0	0	0	112.9	Y129	Y129-N131 PolarHBondContact O-N 2.96Å
132	G	96	Very high	95.9	Very high	26 Å²	26	52.4 Å²	52.4	27%	0.268	30%	0.297	S	S	.	.			trans	90.9	-177.9	-175.5	0	0	0	0	0	114.3	Y129 K173	Y129-G132 WeakPolarHBondContact O-CA 3.31Å; Y129-G132 PolarHBondContact O-N 3.13Å; G132-K173 PolarHBondContact O-N 2.78Å; G132-K173 VanDerWaalsContact O-N 3.13Å
133	Y	97.2	Very high	95.7	Very high	44 Å²	44	52 Å²	52	17%	0.173	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	165.5	-177.2	65.2	-86.7	0	0	0	110.5	I123 L125 Y129 I135 M146 M170 V171 K173	I123-Y133 HydrophobicContact CD1-CE2 4.39Å; I123-Y133 HydrophobicContact CG2-CE1 4.44Å; L125-Y133 HydrophobicContact CD2-CD1 3.99Å; L125-Y133 HydrophobicContact CD2-CE1 3.64Å; Y129-Y133 HydrophobicContact CD1-CG 4.44Å; Y129-Y133 HydrophobicContact CG-CD1 4.42Å; Y133-I135 HydrophobicContact CD2-CB 4.3Å; Y133-I135 HydrophobicContact CE2-CB 4.09Å; Y133-I135 HydrophobicContact CE2-CG2 4.26Å; Y133-M146 HydrophobicContact CE1-CE 4.13Å; Y133-M146 WeakPolarHBondContact OH-CE 3.34Å; Y133-M170 HydrophobicContact CD1-SD 4.44Å; Y133-M170 HydrophobicContact CD2-CG 3.72Å; Y133-M170 HydrophobicContact CD2-SD 3.54Å; Y133-M170 VanDerWaalsContact CD2-SD 3.54Å; Y133-M170 HydrophobicContact CE2-SD 4.04Å; Y133-M170 HydrophobicContact CG-CG 4.1Å; Y133-M170 HydrophobicContact CG-SD 3.77Å; Y133-V171 CarbonylContact C-O 3.54Å; Y133-V171 VanDerWaalsContact CA-O 3.25Å; Y133-V171 WeakPolarHBondContact CA-O 3.22Å; Y133-V171 WeakPolarHBondContact CB-O 3.24Å; Y133-K173 WeakPolarHBondContact O-CE 3.48Å
134	S	97.2	Very high	95.6	Very high	55 Å²	55	55.2 Å²	55.2	39%	0.385	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.4	168.2	-60.6	0	0	0	0	108.6	M170 V171 K173	S134-M170 VanDerWaalsContact O-CA 3.28Å; S134-M170 WeakPolarHBondContact O-CA 3.27Å; S134-V171 PolarHBondContact N-O 3.34Å; S134-V171 PolarHBondContact O-N 3.31Å; S134-K173 WeakPolarHBondContact OG-CE 3.05Å
135	I	97.1	Very high	95.6	Very high	46 Å²	46	60.3 Å²	60.3	24%	0.236	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.5	178.3	-171.3	177.7	0	0	0	109.8	Y133 L137 L151 M168 K169	Y133-I135 HydrophobicContact CD2-CB 4.3Å; Y133-I135 HydrophobicContact CE2-CB 4.09Å; Y133-I135 HydrophobicContact CE2-CG2 4.26Å; I135-L137 HydrophobicContact CD1-CD1 4.31Å; I135-L137 HydrophobicContact CD1-CD2 3.95Å; I135-L137 HydrophobicContact CD1-CG 4.07Å; I135-L137 HydrophobicContact CG1-CD2 4.22Å; I135-L137 HydrophobicContact CG1-CG 4.15Å; I135-L151 HydrophobicContact CD1-CD2 3.41Å; I135-L151 VanDerWaalsContact CD1-CD2 3.41Å; I135-M168 HydrophobicContact CD1-CE 3.54Å; I135-M168 HydrophobicContact CD1-CG 3.98Å; I135-M168 HydrophobicContact CD1-SD 3.86Å; I135-M168 HydrophobicContact CG1-CE 4.04Å; I135-M168 HydrophobicContact CG1-CG 4.01Å; I135-M168 HydrophobicContact CG1-SD 4.48Å; I135-K169 CarbonylContact C-O 3.54Å; I135-K169 WeakPolarHBondContact CA-O 3.32Å
136	N	97.6	Very high	95.7	Very high	105 Å²	105	61.3 Å²	61.3	56%	0.561	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.4	169.9	-64.3	-40.4	0	0	0	108.1	M168 K169	N136-M168 WeakPolarHBondContact O-CA 3.47Å; N136-K169 HydrophobicContact CB-CB 4.47Å; N136-K169 PolarHBondContact N-O 3.33Å; N136-K169 PolarHBondContact O-N 2.76Å
137	L	97.4	Very high	95.8	Very high	32 Å²	32	64.6 Å²	64.6	17%	0.168	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.6	177.7	-68.7	176.3	0	0	0	109.7	I135 P139 N140 L142 T144 I153 E167 M168	I135-L137 HydrophobicContact CD1-CD1 4.31Å; I135-L137 HydrophobicContact CD1-CD2 3.95Å; I135-L137 HydrophobicContact CD1-CG 4.07Å; I135-L137 HydrophobicContact CG1-CD2 4.22Å; I135-L137 HydrophobicContact CG1-CG 4.15Å; L137-P139 CarbonylContact C-O 3.59Å; L137-P139 CarbonylContact O-C 3.54Å; L137-N140 WeakPolarHBondContact O-CA 3.27Å; L137-L142 HydrophobicContact CB-CD1 4.27Å; L137-L142 HydrophobicContact CD1-CB 4.09Å; L137-T144 HydrophobicContact CD1-CG2 3.38Å; L137-I153 HydrophobicContact CD1-CG2 4.49Å; L137-I153 HydrophobicContact CD2-CD1 4.08Å; L137-E167 CarbonylContact C-O 2.87Å; L137-E167 WeakPolarHBondContact CA-O 3.18Å; L137-M168 HydrophobicContact CD2-CB 3.71Å; L137-M168 HydrophobicContact CD2-CG 3.85Å
138	N	96.1	Very high	96	Very high	81 Å²	81	65.9 Å²	65.9	43%	0.433	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.7	167.9	-175.4	35.4	0	0	0	108	V166 E167	N138-V166 CarbonylContact O-C 3.55Å; N138-V166 VanDerWaalsContact O-CA 3.29Å; N138-V166 WeakPolarHBondContact O-CA 3.33Å; N138-E167 HydrophobicContact CB-CB 4.15Å; N138-E167 PolarHBondContact N-O 3.29Å; N138-E167 PolarHBondContact ND2-OE2 3.03Å; N138-E167 PolarHBondContact O-N 3.14Å
139	P	94.8	Very high	96.1	Very high	23 Å²	23	67.9 Å²	67.9	15%	0.149	38%	0.381	C	S	.	.	S	Bend	cis	-65.1	156.7	-6.3	29.3	-35.1	0	0	0	112.7	L137 N141 L142 L159 V164	L137-P139 CarbonylContact C-O 3.59Å; L137-P139 CarbonylContact O-C 3.54Å; P139-N141 VanDerWaalsContact C-N 3.27Å; P139-N141 VanDerWaalsContact CB-OD1 3.32Å; P139-N141 WeakPolarHBondContact CB-OD1 3.07Å; P139-N141 WeakPolarHBondContact CG-OD1 3.44Å; P139-N141 PolarHBondContact O-N 3.21Å; P139-L142 HydrophobicContact CG-CD1 4.45Å; P139-L142 HydrophobicContact CG-CD2 4.2Å; P139-L142 HydrophobicContact CG-CG 4.03Å; P139-L142 VanDerWaalsContact O-CG 3.28Å; P139-L142 WeakPolarHBondContact O-CG 2.92Å; P139-L159 HydrophobicContact CG-CD1 3.84Å; P139-V164 HydrophobicContact CG-CG1 3.83Å
140	N	93.2	Very high	96.2	Very high	150 Å²	150	69.2 Å²	69.2	80%	0.802	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-7.6	-174.5	66.7	-11	0	0	0	114	L137 L142	L137-N140 WeakPolarHBondContact O-CA 3.27Å; N140-L142 VanDerWaalsContact C-N 3.34Å
141	N	91.8	Very high	96.4	Very high	55 Å²	55	64.9 Å²	64.9	29%	0.294	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	3.6	176.2	68.3	-19.3	0	0	0	113.2	P139 P156 D158	P139-N141 VanDerWaalsContact C-N 3.27Å; P139-N141 VanDerWaalsContact CB-OD1 3.32Å; P139-N141 WeakPolarHBondContact CB-OD1 3.07Å; P139-N141 WeakPolarHBondContact CG-OD1 3.44Å; P139-N141 PolarHBondContact O-N 3.21Å; N141-P156 HydrophobicContact CB-CG 4.48Å; N141-D158 PolarHBondContact ND2-OD2 2.05Å
142	L	93.9	Very high	96.5	Very high	15 Å²	15	59.1 Å²	59.1	8%	0.079	33%	0.331	C	S	.	.			trans	-63.5	138.6	169.3	-64.1	178.2	0	0	0	110.2	I118 L137 P139 N140 I153 Y154 L155 V166	I118-L142 HydrophobicContact CD1-CD2 4.02Å; L137-L142 HydrophobicContact CB-CD1 4.27Å; L137-L142 HydrophobicContact CD1-CB 4.09Å; P139-L142 HydrophobicContact CG-CD1 4.45Å; P139-L142 HydrophobicContact CG-CD2 4.2Å; P139-L142 HydrophobicContact CG-CG 4.03Å; P139-L142 VanDerWaalsContact O-CG 3.28Å; P139-L142 WeakPolarHBondContact O-CG 2.92Å; N140-L142 VanDerWaalsContact C-N 3.34Å; L142-I153 HydrophobicContact CB-CG2 4.26Å; L142-I153 HydrophobicContact CD1-CG2 4.1Å; L142-Y154 WeakPolarHBondContact CD2-O 3.33Å; L142-L155 HydrophobicContact CD2-CD1 3.73Å; L142-V166 HydrophobicContact CD1-CG1 3.75Å; L142-V166 HydrophobicContact CD1-CG2 4.24Å
143	T	94.7	Very high	96.5	Very high	46 Å²	46	57.9 Å²	57.9	28%	0.282	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	150.1	173.7	53.4	0	0	0	0	110.5	Q115 Y154	Q115-T143 VanDerWaalsContact CD-OG1 3.28Å; Q115-T143 PolarHBondContact NE2-OG1 3Å; Q115-T143 PolarHBondContact OE1-OG1 3.25Å; T143-Y154 PolarHBondContact N-O 2.91Å; T143-Y154 PolarHBondContact O-N 3.36Å; T143-Y154 WeakPolarHBondContact OG1-CB 3.42Å
144	T	96.6	Very high	96.3	Very high	68 Å²	68	57.9 Å²	57.9	42%	0.417	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.4	178.6	57.8	0	0	0	0	112	L137 L151 S152 I153	L137-T144 HydrophobicContact CD1-CG2 3.38Å; T144-L151 HydrophobicContact CG2-CD1 4.22Å; T144-S152 CarbonylContact C-O 3.57Å; T144-S152 WeakPolarHBondContact CA-O 3.45Å; T144-I153 HydrophobicContact CG2-CG1 4.2Å
145	E	97.2	Very high	96.1	Very high	107 Å²	107	55.2 Å²	55.2	50%	0.5	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.3	171.5	-173.4	-179.5	168.9	0	0	108.3	L151 S152 Y154	E145-L151 WeakPolarHBondContact O-CA 3.3Å; E145-S152 PolarHBondContact N-O 2.89Å; E145-S152 PolarHBondContact O-N 3.1Å; E145-Y154 HydrophobicContact CB-CE2 4.04Å
146	M	97.5	Very high	95.6	Very high	70 Å²	70	53.7 Å²	53.7	35%	0.345	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.5	174.8	177.3	60.6	83.2	0	0	109.4	I123 L125 Y133 T150 L151	I123-M146 HydrophobicContact CB-CE 4.31Å; I123-M146 HydrophobicContact CD1-CE 3.81Å; I123-M146 HydrophobicContact CG1-CE 4.38Å; L125-M146 HydrophobicContact CD2-CE 4.43Å; Y133-M146 HydrophobicContact CE1-CE 4.13Å; Y133-M146 WeakPolarHBondContact OH-CE 3.34Å; M146-T150 VanDerWaalsContact SD-C 3.58Å; M146-T150 VanDerWaalsContact SD-O 3.36Å; M146-L151 HydrophobicContact CE-CB 4.01Å; M146-L151 HydrophobicContact CE-CD1 4.26Å
147	K	97.4	Very high	94.7	Very high	164 Å²	164	52.5 Å²	52.5	71%	0.713	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	106.9	173.9	-174.6	177.5	178.5	179.7	0	109.8	N149 T150	K147-N149 PolarHBondContact O-N 2.82Å; K147-T150 PolarHBondContact N-O 3.1Å; K147-T150 PolarHBondContact O-N 3.22Å
148	G	97	Very high	93.8	Very high	57 Å²	57	56.1 Å²	56.1	59%	0.588	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	-118.5	-172.9	0	0	0	0	0	110.6	L125	L125-G148 WeakPolarHBondContact CD1-O 3.33Å
149	N	97.9	Very high	92.9	Very high	48 Å²	48	53.7 Å²	53.7	26%	0.257	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	14	176.4	-75.3	7	0	0	0	112.7	Y122 I123 K147	Y122-N149 CarbonylContact C-O 3.53Å; Y122-N149 WeakPolarHBondContact CA-O 3.21Å; Y122-N149 HydrophobicContact CD2-CB 3.91Å; Y122-N149 HydrophobicContact CE2-CB 3.5Å; Y122-N149 VanDerWaalsContact CE2-CB 3.5Å; Y122-N149 PolarHBondContact OH-ND2 3.48Å; I123-N149 PolarHBondContact N-O 3.17Å; I123-N149 VanDerWaalsContact O-CB 3.22Å; I123-N149 WeakPolarHBondContact O-CB 3.41Å; I123-N149 VanDerWaalsContact O-CG 3.28Å; K147-N149 PolarHBondContact O-N 2.82Å
150	T	98.5	Very high	91.5	Very high	33 Å²	33	54.1 Å²	54.1	20%	0.202	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	118.6	-179.1	-59.6	0	0	0	0	110.2	Q80 E120 M146 K147	Q80-T150 PolarHBondContact OE1-OG1 3.31Å; E120-T150 HydrophobicContact CB-CG2 4.04Å; M146-T150 VanDerWaalsContact SD-C 3.58Å; M146-T150 VanDerWaalsContact SD-O 3.36Å; K147-T150 PolarHBondContact N-O 3.1Å; K147-T150 PolarHBondContact O-N 3.22Å
151	L	98.4	Very high	90.1	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	113.8	170.3	-179.5	76	0	0	0	109.2	E120 I121 I123 I135 T144 E145 M146 I153 M168	E120-L151 WeakPolarHBondContact CA-O 3.31Å; I121-L151 HydrophobicContact CB-CB 4.47Å; I121-L151 PolarHBondContact N-O 3.43Å; I121-L151 PolarHBondContact O-N 3.17Å; I123-L151 HydrophobicContact CD1-CB 3.69Å; I123-L151 HydrophobicContact CD1-CD2 3.89Å; I123-L151 HydrophobicContact CD1-CG 4.34Å; I123-L151 HydrophobicContact CG1-CB 4.26Å; I135-L151 HydrophobicContact CD1-CD2 3.41Å; I135-L151 VanDerWaalsContact CD1-CD2 3.41Å; T144-L151 HydrophobicContact CG2-CD1 4.22Å; E145-L151 WeakPolarHBondContact O-CA 3.3Å; M146-L151 HydrophobicContact CE-CB 4.01Å; M146-L151 HydrophobicContact CE-CD1 4.26Å; L151-I153 HydrophobicContact CD2-CD1 4.42Å; L151-I153 HydrophobicContact CD2-CG1 4.28Å; L151-I153 HydrophobicContact CG-CG1 4.38Å; L151-M168 HydrophobicContact CD2-CE 3.99Å; L151-M168 HydrophobicContact CD2-SD 4.32Å
152	S	98.1	Very high	89.3	Confident	14 Å²	14	54.5 Å²	54.5	10%	0.098	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	132.7	170.1	-61.1	0	0	0	0	109.6	A119 T144 E145	A119-S152 WeakPolarHBondContact O-CA 3.46Å; T144-S152 CarbonylContact C-O 3.57Å; T144-S152 WeakPolarHBondContact CA-O 3.45Å; E145-S152 PolarHBondContact N-O 2.89Å; E145-S152 PolarHBondContact O-N 3.1Å
153	I	96.8	Very high	89	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.8	176.1	-52.3	-179.2	0	0	0	108.4	I118 A119 I121 L137 L142 T144 L151 M168	I118-I153 HydrophobicContact CD1-CG2 3.94Å; I118-I153 HydrophobicContact CG1-CB 4.21Å; I118-I153 HydrophobicContact CG1-CG2 4.01Å; I118-I153 WeakPolarHBondContact CG1-O 3.13Å; I118-I153 PolarHBondContact N-O 3.33Å; A119-I153 HydrophobicContact CB-CB 4.36Å; A119-I153 HydrophobicContact CB-CD1 4.45Å; A119-I153 PolarHBondContact N-O 3.3Å; A119-I153 PolarHBondContact O-N 2.87Å; I121-I153 HydrophobicContact CD1-CD1 3.66Å; L137-I153 HydrophobicContact CD1-CG2 4.49Å; L137-I153 HydrophobicContact CD2-CD1 4.08Å; L142-I153 HydrophobicContact CB-CG2 4.26Å; L142-I153 HydrophobicContact CD1-CG2 4.1Å; T144-I153 HydrophobicContact CG2-CG1 4.2Å; L151-I153 HydrophobicContact CD2-CD1 4.42Å; L151-I153 HydrophobicContact CD2-CG1 4.28Å; L151-I153 HydrophobicContact CG-CG1 4.38Å; I153-M168 HydrophobicContact CD1-SD 4.18Å
154	Y	94.1	Very high	88.8	Confident	44 Å²	44	58.7 Å²	58.7	17%	0.173	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.8	-178.8	-54.2	-101.6	0	0	0	111.9	Q115 N116 L117 L142 T143 E145	Q115-Y154 HydrophobicContact CB-CD1 4.21Å; Q115-Y154 HydrophobicContact CB-CG 4.37Å; N116-Y154 CarbonylContact O-C 3.48Å; N116-Y154 VanDerWaalsContact O-CA 3.27Å; N116-Y154 WeakPolarHBondContact O-CA 3.28Å; L117-Y154 HydrophobicContact CB-CD1 3.98Å; L117-Y154 HydrophobicContact CB-CE1 3.85Å; L117-Y154 HydrophobicContact CD1-CD1 4.21Å; L117-Y154 HydrophobicContact CD1-CE1 3.8Å; L117-Y154 HydrophobicContact CD1-CE2 4.35Å; L117-Y154 HydrophobicContact CG-CE1 4.39Å; L142-Y154 WeakPolarHBondContact CD2-O 3.33Å; T143-Y154 PolarHBondContact N-O 2.91Å; T143-Y154 PolarHBondContact O-N 3.36Å; T143-Y154 WeakPolarHBondContact OG1-CB 3.42Å; E145-Y154 HydrophobicContact CB-CE2 4.04Å
155	L	91.2	Very high	88.8	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.2	170.7	-165.8	71.6	0	0	0	109.5	Q106 N116 I118 L142 L159 V164	Q106-L155 HydrophobicContact CG-CD2 3.82Å; N116-L155 HydrophobicContact CB-CB 4.43Å; N116-L155 PolarHBondContact N-O 2.7Å; N116-L155 PolarHBondContact O-N 3Å; I118-L155 HydrophobicContact CD1-CB 4.23Å; I118-L155 HydrophobicContact CD1-CD1 4.48Å; I118-L155 HydrophobicContact CG2-CB 3.71Å; L142-L155 HydrophobicContact CD2-CD1 3.73Å; L155-L159 HydrophobicContact CD1-CB 3.87Å; L155-L159 HydrophobicContact CD1-CD1 3.93Å; L155-L159 HydrophobicContact CD2-CB 4.18Å; L155-L159 HydrophobicContact CG-CB 3.91Å; L155-V164 HydrophobicContact CD1-CB 4.19Å; L155-V164 HydrophobicContact CD1-CG1 4.24Å; L155-V164 HydrophobicContact CD1-CG2 4.03Å; L155-V164 HydrophobicContact CD2-CG2 4.48Å
156	P	86.6	Confident	88.8	Confident	13 Å²	13	53.9 Å²	53.9	8%	0.084	29%	0.285	C	S	.	.			trans	-69.8	163.7	178.6	32.5	-37.7	0	0	0	111.5	N141 D158 L159	N141-P156 HydrophobicContact CB-CG 4.48Å; P156-D158 VanDerWaalsContact C-N 3.27Å; P156-D158 WeakPolarHBondContact CB-OD1 3.09Å; P156-D158 WeakPolarHBondContact CG-OD1 3.02Å; P156-D158 PolarHBondContact O-N 3.08Å; P156-L159 HydrophobicContact CG-CB 4.46Å; P156-L159 HydrophobicContact CG-CD1 3.89Å; P156-L159 HydrophobicContact CG-CG 4.14Å; P156-L159 PolarHBondContact O-N 2.86Å
157	T	80.3	Confident	88.8	Confident	81 Å²	81	54.8 Å²	54.8	50%	0.497	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-62.5	-31.9	-170.8	53.8	0	0	0	0	114	R160	T157-R160 WeakPolarHBondContact O-CB 3.33Å; T157-R160 WeakPolarHBondContact O-CD 3.49Å; T157-R160 VanDerWaalsContact O-CG 3.27Å; T157-R160 WeakPolarHBondContact O-CG 3.32Å
158	D	78.1	Confident	88.8	Confident	107 Å²	107	47.2 Å²	47.2	57%	0.572	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-72	-24.3	-177.6	57.6	-34.1	0	0	0	113.4	N141 P156	N141-D158 PolarHBondContact ND2-OD2 2.05Å; P156-D158 VanDerWaalsContact C-N 3.27Å; P156-D158 WeakPolarHBondContact CB-OD1 3.09Å; P156-D158 WeakPolarHBondContact CG-OD1 3.02Å; P156-D158 PolarHBondContact O-N 3.08Å
159	L	76.2	Confident	88.9	Confident	30 Å²	30	49 Å²	49	16%	0.157	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-96.6	9.4	-179.2	-64.9	-179.9	0	0	0	114	P139 L155 P156 N161 E162 V164	P139-L159 HydrophobicContact CG-CD1 3.84Å; L155-L159 HydrophobicContact CD1-CB 3.87Å; L155-L159 HydrophobicContact CD1-CD1 3.93Å; L155-L159 HydrophobicContact CD2-CB 4.18Å; L155-L159 HydrophobicContact CG-CB 3.91Å; P156-L159 HydrophobicContact CG-CB 4.46Å; P156-L159 HydrophobicContact CG-CD1 3.89Å; P156-L159 HydrophobicContact CG-CG 4.14Å; P156-L159 PolarHBondContact O-N 2.86Å; L159-N161 PolarHBondContact O-N 2.93Å; L159-E162 PolarHBondContact O-N 3.05Å; L159-V164 HydrophobicContact CB-CG2 4.12Å; L159-V164 HydrophobicContact CD1-CG2 4.39Å
160	R	65.6	Low	88.9	Confident	32 Å²	32	46.8 Å²	46.8	12%	0.121	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	2.8	-163.4	-79	-174.5	-178.6	153.5	2.8	118.2	S112 E113 K114 Q115 T157	S112-R160 PolarHBondContact O-NH1 3.41Å; S112-R160 PolarHBondContact O-NH2 2.97Å; E113-R160 PolarHBondContact O-NH2 2.61Å; K114-R160 PolarHBondContact O-NH2 3.1Å; Q115-R160 VanDerWaalsContact N-NH2 3.18Å; T157-R160 WeakPolarHBondContact O-CB 3.33Å; T157-R160 WeakPolarHBondContact O-CD 3.49Å; T157-R160 VanDerWaalsContact O-CG 3.27Å; T157-R160 WeakPolarHBondContact O-CG 3.32Å
161	N	64.5	Low	88.8	Confident	93 Å²	93	47.5 Å²	47.5	50%	0.497	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.1	12.4	179.1	-72.6	-53.9	0	0	0	113.4	L159	L159-N161 PolarHBondContact O-N 2.93Å
162	E	75.2	Confident	88.7	Confident	121 Å²	121	51.1 Å²	51.1	57%	0.565	25%	0.252	S	S	*	.	S	Bend	trans	-110.4	144.2	-179.9	-62.7	-172.9	177	0	0	110.3	T104 L159 V164	T104-E162 PolarHBondContact OG1-O 3.19Å; L159-E162 PolarHBondContact O-N 3.05Å; E162-V164 HydrophobicContact CB-CG2 4.07Å; E162-V164 PolarHBondContact O-N 2.97Å; E162-V164 VanDerWaalsContact O-N 3.1Å
163	H	86.5	Confident	88.5	Confident	135 Å²	135	59.1 Å²	59.1	63%	0.625	29%	0.285	S	S	*	.			trans	-72.4	98.8	162.4	-74.1	-63	0	0	0	107.4	I103 T104	I103-H163 HydrophobicContact CG2-CB 3.68Å; T104-H163 PolarHBondContact O-ND1 3.11Å
164	V	92	Very high	88.1	Confident	14 Å²	14	62.1 Å²	62.1	9%	0.085	30%	0.3	C	S	.	.			trans	-91.3	123.9	-176.7	-180	0	0	0	0	108.7	I103 T104 P139 L155 L159 E162 V166	I103-V164 WeakPolarHBondContact CA-O 3.49Å; T104-V164 HydrophobicContact CG2-CB 4.17Å; T104-V164 PolarHBondContact N-O 2.96Å; T104-V164 PolarHBondContact OG1-N 3.48Å; P139-V164 HydrophobicContact CG-CG1 3.83Å; L155-V164 HydrophobicContact CD1-CB 4.19Å; L155-V164 HydrophobicContact CD1-CG1 4.24Å; L155-V164 HydrophobicContact CD1-CG2 4.03Å; L155-V164 HydrophobicContact CD2-CG2 4.48Å; L159-V164 HydrophobicContact CB-CG2 4.12Å; L159-V164 HydrophobicContact CD1-CG2 4.39Å; E162-V164 HydrophobicContact CB-CG2 4.07Å; E162-V164 PolarHBondContact O-N 2.97Å; E162-V164 VanDerWaalsContact O-N 3.1Å; V164-V166 HydrophobicContact CG1-CG2 4.19Å; V164-V166 PolarHBondContact O-N 3.04Å
165	L	95.7	Very high	87.8	Confident	73 Å²	73	63 Å²	63	38%	0.382	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	115.6	165	172.7	60.2	0	0	0	108.1	L87 I103 E167	L87-L165 HydrophobicContact CD1-CD1 3.35Å; I103-L165 HydrophobicContact CG1-CD1 4.4Å; L165-E167 HydrophobicContact CD1-CG 4.15Å; L165-E167 HydrophobicContact CD2-CG 4.35Å; L165-E167 HydrophobicContact CG-CG 4.01Å
166	V	96.8	Very high	87.6	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.4	174.7	178	0	0	0	0	108.3	S101 F102 T104 I118 N138 L142 V164	S101-V166 WeakPolarHBondContact CA-O 3.3Å; F102-V166 HydrophobicContact CD1-CB 3.99Å; F102-V166 HydrophobicContact CD1-CG1 4.18Å; F102-V166 HydrophobicContact CE1-CB 3.63Å; F102-V166 HydrophobicContact CE1-CG1 3.49Å; F102-V166 VanDerWaalsContact CE1-CG1 3.49Å; F102-V166 HydrophobicContact CE1-CG2 4.32Å; F102-V166 HydrophobicContact CE2-CB 4.3Å; F102-V166 HydrophobicContact CE2-CG2 4.24Å; F102-V166 HydrophobicContact CG-CB 4.47Å; F102-V166 HydrophobicContact CZ-CB 3.82Å; F102-V166 HydrophobicContact CZ-CG1 3.87Å; F102-V166 HydrophobicContact CZ-CG2 3.98Å; F102-V166 PolarHBondContact N-O 3.03Å; F102-V166 PolarHBondContact O-N 3.42Å; T104-V166 HydrophobicContact CG2-CG2 3.8Å; I118-V166 HydrophobicContact CD1-CG2 3.91Å; N138-V166 CarbonylContact O-C 3.55Å; N138-V166 VanDerWaalsContact O-CA 3.29Å; N138-V166 WeakPolarHBondContact O-CA 3.33Å; L142-V166 HydrophobicContact CD1-CG1 3.75Å; L142-V166 HydrophobicContact CD1-CG2 4.24Å; V164-V166 HydrophobicContact CG1-CG2 4.19Å; V164-V166 PolarHBondContact O-N 3.04Å
167	E	98.3	Very high	87.7	Confident	88 Å²	88	69.6 Å²	69.6	41%	0.411	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.3	173.4	-55	173.1	106	0	0	109.3	L137 N138 L165	L137-E167 CarbonylContact C-O 2.87Å; L137-E167 WeakPolarHBondContact CA-O 3.18Å; N138-E167 HydrophobicContact CB-CB 4.15Å; N138-E167 PolarHBondContact N-O 3.29Å; N138-E167 PolarHBondContact ND2-OE2 3.03Å; N138-E167 PolarHBondContact O-N 3.14Å; L165-E167 HydrophobicContact CD1-CG 4.15Å; L165-E167 HydrophobicContact CD2-CG 4.35Å; L165-E167 HydrophobicContact CG-CG 4.01Å
168	M	98.2	Very high	88.1	Confident	5 Å²	5	68.9 Å²	68.9	3%	0.025	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.8	175.1	174.9	179.3	166.2	0	0	109.1	Y98 S99 F100 I121 I123 I135 N136 L137 L151 I153 M170	Y98-M168 HydrophobicContact CD1-CE 4.11Å; Y98-M168 HydrophobicContact CE1-CE 4.37Å; Y98-M168 HydrophobicContact CE1-SD 4.48Å; S99-M168 VanDerWaalsContact CA-O 3.28Å; S99-M168 WeakPolarHBondContact CA-O 3.37Å; F100-M168 HydrophobicContact CB-CB 4.44Å; F100-M168 PolarHBondContact N-O 3.31Å; F100-M168 PolarHBondContact O-N 3.16Å; I121-M168 HydrophobicContact CD1-CE 4.32Å; I121-M168 HydrophobicContact CD1-SD 3.31Å; I121-M168 WeakPolarHBondContact CD1-SD 3.36Å; I123-M168 HydrophobicContact CD1-CE 4.44Å; I135-M168 HydrophobicContact CD1-CE 3.54Å; I135-M168 HydrophobicContact CD1-CG 3.98Å; I135-M168 HydrophobicContact CD1-SD 3.86Å; I135-M168 HydrophobicContact CG1-CE 4.04Å; I135-M168 HydrophobicContact CG1-CG 4.01Å; I135-M168 HydrophobicContact CG1-SD 4.48Å; N136-M168 WeakPolarHBondContact O-CA 3.47Å; L137-M168 HydrophobicContact CD2-CB 3.71Å; L137-M168 HydrophobicContact CD2-CG 3.85Å; L151-M168 HydrophobicContact CD2-CE 3.99Å; L151-M168 HydrophobicContact CD2-SD 4.32Å; I153-M168 HydrophobicContact CD1-SD 4.18Å; M168-M170 HydrophobicContact CE-CB 3.96Å; M168-M170 HydrophobicContact CE-CE 4.36Å; M168-M170 HydrophobicContact CE-SD 4.28Å
169	K	98.2	Very high	88.8	Confident	96 Å²	96	66.4 Å²	66.4	42%	0.417	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127	166.4	-174.3	176.5	-179.3	179.6	0	109.6	E97 Y98 I135 N136 V171	E97-K169 WeakPolarHBondContact OE1-CE 3.39Å; E97-K169 IonicContact OE1-NZ 2.77Å; E97-K169 PolarHBondContact OE1-NZ 3.08Å; Y98-K169 CarbonylContact O-C 3.49Å; Y98-K169 WeakPolarHBondContact O-CA 3.34Å; I135-K169 CarbonylContact C-O 3.54Å; I135-K169 WeakPolarHBondContact CA-O 3.32Å; N136-K169 HydrophobicContact CB-CB 4.47Å; N136-K169 PolarHBondContact N-O 3.33Å; N136-K169 PolarHBondContact O-N 2.76Å; K169-V171 HydrophobicContact CG-CG2 4.48Å
170	M	97.8	Very high	89.7	Confident	0 Å²	0	69 Å²	69	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139.1	176.5	177.9	172.9	58.1	0	0	110.6	P77 E97 Y98 I123 Y129 Y133 S134 M168	P77-M170 HydrophobicContact CB-CE 3.67Å; P77-M170 HydrophobicContact CG-CE 3.35Å; E97-M170 WeakPolarHBondContact CA-O 3.3Å; Y98-M170 HydrophobicContact CD1-CE 4.02Å; Y98-M170 HydrophobicContact CG-CE 4.27Å; Y98-M170 PolarHBondContact N-O 3.23Å; Y98-M170 PolarHBondContact O-N 3.41Å; I123-M170 HydrophobicContact CD1-CE 4.35Å; I123-M170 HydrophobicContact CD1-SD 3.86Å; I123-M170 HydrophobicContact CG1-CE 4.46Å; I123-M170 HydrophobicContact CG2-CE 4.25Å; I123-M170 HydrophobicContact CG2-SD 4.08Å; Y129-M170 HydrophobicContact CE1-CE 4.14Å; Y129-M170 HydrophobicContact CE1-CG 4.15Å; Y129-M170 HydrophobicContact CE1-SD 4.13Å; Y129-M170 HydrophobicContact CE2-CE 3.75Å; Y129-M170 HydrophobicContact CE2-SD 4.27Å; Y129-M170 VanDerWaalsContact CZ-CE 3.43Å; Y129-M170 WeakPolarHBondContact OH-CE 3.37Å; Y133-M170 HydrophobicContact CD1-SD 4.44Å; Y133-M170 HydrophobicContact CD2-CG 3.72Å; Y133-M170 HydrophobicContact CD2-SD 3.54Å; Y133-M170 VanDerWaalsContact CD2-SD 3.54Å; Y133-M170 HydrophobicContact CE2-SD 4.04Å; Y133-M170 HydrophobicContact CG-CG 4.1Å; Y133-M170 HydrophobicContact CG-SD 3.77Å; S134-M170 VanDerWaalsContact O-CA 3.28Å; S134-M170 WeakPolarHBondContact O-CA 3.27Å; M168-M170 HydrophobicContact CE-CB 3.96Å; M168-M170 HydrophobicContact CE-CE 4.36Å; M168-M170 HydrophobicContact CE-SD 4.28Å
171	V	97.3	Very high	91.5	Very high	48 Å²	48	71.8 Å²	71.8	29%	0.291	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.8	-178.8	-167.9	0	0	0	0	109	E97 Y133 S134 K169	E97-V171 HydrophobicContact CG-CB 4.43Å; E97-V171 HydrophobicContact CG-CG1 4.12Å; E97-V171 HydrophobicContact CG-CG2 4.07Å; Y133-V171 CarbonylContact C-O 3.54Å; Y133-V171 VanDerWaalsContact CA-O 3.25Å; Y133-V171 WeakPolarHBondContact CA-O 3.22Å; Y133-V171 WeakPolarHBondContact CB-O 3.24Å; S134-V171 PolarHBondContact N-O 3.34Å; S134-V171 PolarHBondContact O-N 3.31Å; K169-V171 HydrophobicContact CG-CG2 4.48Å
172	R	95.6	Very high	93.8	Very high	78 Å²	78	70.1 Å²	70.1	29%	0.294	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	148.5	171.8	-66.3	-176.6	-179.9	144.5	7.1	111.1	H93 K94 T95 H128 Y129	H93-R172 PolarHBondContact O-NH2 2.96Å; K94-R172 PolarHBondContact O-NH1 3.12Å; T95-R172 VanDerWaalsContact O-CD 3.27Å; T95-R172 WeakPolarHBondContact O-CD 3.11Å; T95-R172 WeakPolarHBondContact O-CG 3.36Å; H128-R172 PolarHBondContact ND1-NH2 3.24Å; H128-R172 WeakPolarHBondContact O-CD 3.46Å; H128-R172 VanDerWaalsContact O-CG 3.32Å; H128-R172 WeakPolarHBondContact O-CG 3.49Å; H128-R172 PolarHBondContact O-NE 2.91Å; Y129-R172 HydrophobicContact CD1-CB 4.4Å; Y129-R172 HydrophobicContact CD1-CG 3.63Å; Y129-R172 HydrophobicContact CE1-CG 3.6Å
173	K	94.1	Very high	95.5	Very high	182 Å²	182	65.5 Å²	65.5	79%	0.791	30%	0.303	S	S	*	.			trans	-89.4	0	168.5	-75.5	-179.6	175.2	171.9	0	111.8	G132 Y133 S134	G132-K173 PolarHBondContact O-N 2.78Å; G132-K173 VanDerWaalsContact O-N 3.13Å; Y133-K173 WeakPolarHBondContact O-CE 3.48Å; S134-K173 WeakPolarHBondContact OG-CE 3.05Å

Retrieved 173 of 173 residues in 248 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).