B8Y6H4_SCHMA Loading...

DIF_6

AlphaFold DB , UniProt , Accession B8Y6H4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 148 aa.

						>B8Y6H4_SCHMA|B8Y6H4
MGPVCYLFVVSSFVLLTSGNVGMPGAPRKLQLNNATIEKFGHELAKVAHKFNSEYGNSSLHVITKLVNVTSQVVQGIFYTFFVKFSPTSCTTANNNIHVLDTYFPNRDSCDLTDGESKICKVTLWDRPWLQSDFSKIIRIVRCSNDTS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.4	Very low	51.4	Low	256 Å²	256	139.4 Å²	139.4	100%	1.261	79%	0.788	S	S	*	*				0	104.4	0	-76.8	172.1	156.7	0	0	107.8
2	G	46.1	Very low	51.8	Low	67 Å²	67	136.2 Å²	136.2	69%	0.691	78%	0.781	S	S	*	*			trans	-137.7	128.8	170.6	0	0	0	0	0	106.8	V4	G2-V4 PolarHBondContact O-N 3.45Å
3	P	50.4	Low	52.3	Low	129 Å²	129	139.3 Å²	139.3	84%	0.838	78%	0.781	S	S	*	*			trans	-77.8	130	-157	30.6	-33.3	0	0	0	111.5	C5	P3-C5 PolarHBondContact O-N 3.11Å; P3-C5 VanDerWaalsContact O-N 3.11Å
4	V	53	Low	53.1	Low	114 Å²	114	137.3 Å²	137.3	69%	0.691	77%	0.773	S	S	*	*			trans	-34	106.2	155.3	-176.9	0	0	0	0	110.5	G2 Y6	G2-V4 PolarHBondContact O-N 3.45Å; V4-Y6 HydrophobicContact CG1-CD2 3.4Å; V4-Y6 VanDerWaalsContact CG1-CD2 3.4Å; V4-Y6 HydrophobicContact CG1-CE2 4.32Å; V4-Y6 HydrophobicContact CG1-CG 4.08Å; V4-Y6 PolarHBondContact O-N 3.41Å
5	C	61	Low	53.2	Low	131 Å²	131	138.1 Å²	138.1	89%	0.885	77%	0.774	S	S	*	*			trans	-79.6	65.2	174	-151.2	0	0	0	0	109.4	P3 L7	P3-C5 PolarHBondContact O-N 3.11Å; P3-C5 VanDerWaalsContact O-N 3.11Å; C5-L7 PolarHBondContact O-N 2.93Å
6	Y	51.3	Low	53.4	Low	205 Å²	205	139.3 Å²	139.3	80%	0.804	78%	0.777	S	S	*	*			trans	-92.1	72.4	174.7	-119.6	-93.7	0	0	0	109	V4	V4-Y6 HydrophobicContact CG1-CD2 3.4Å; V4-Y6 VanDerWaalsContact CG1-CD2 3.4Å; V4-Y6 HydrophobicContact CG1-CE2 4.32Å; V4-Y6 HydrophobicContact CG1-CG 4.08Å; V4-Y6 PolarHBondContact O-N 3.41Å
7	L	47.9	Very low	53.8	Low	142 Å²	142	137.6 Å²	137.6	74%	0.743	77%	0.771	S	S	*	*			trans	-137.1	100.9	169.2	-73.9	174.9	0	0	0	109.9	C5	C5-L7 PolarHBondContact O-N 2.93Å
8	F	48	Very low	54.2	Low	164 Å²	164	136.8 Å²	136.8	72%	0.719	78%	0.776	S	S	*	*			trans	73	70.3	148.9	-58.4	-65	0	0	0	117	V10	F8-V10 HydrophobicContact CB-CG2 3.75Å; F8-V10 HydrophobicContact CD1-CG2 4.3Å; F8-V10 HydrophobicContact CG-CG2 4.37Å; F8-V10 PolarHBondContact O-N 2.84Å
9	V	52.3	Low	54.4	Low	145 Å²	145	132.1 Å²	132.1	88%	0.879	76%	0.761	S	S	*	*			trans	-64.9	75.4	139	-174.9	0	0	0	0	106.7	S11	V9-S11 PolarHBondContact O-N 2.88Å
10	V	54.4	Low	54.8	Low	106 Å²	106	134.1 Å²	134.1	64%	0.642	77%	0.769	S	S	*	*			trans	-70.3	90.1	162	-166.1	0	0	0	0	104.1	F8 S12	F8-V10 HydrophobicContact CB-CG2 3.75Å; F8-V10 HydrophobicContact CD1-CG2 4.3Å; F8-V10 HydrophobicContact CG-CG2 4.37Å; F8-V10 PolarHBondContact O-N 2.84Å; V10-S12 PolarHBondContact O-N 2.82Å
11	S	58.8	Low	55.2	Low	74 Å²	74	133.9 Å²	133.9	52%	0.517	77%	0.769	S	S	.	*			trans	-54	99.5	162.2	-179.3	0	0	0	0	105.6	V9 F13	V9-S11 PolarHBondContact O-N 2.88Å; S11-F13 PolarHBondContact O-N 2.74Å
12	S	56.2	Low	56.7	Low	101 Å²	101	124.6 Å²	124.6	71%	0.706	74%	0.74	S	S	*	*			trans	-61.3	89.4	162.2	-61.2	0	0	0	0	105.1	V10 V14	V10-S12 PolarHBondContact O-N 2.82Å; S12-V14 PolarHBondContact O-N 2.75Å
13	F	58.2	Low	58.5	Low	177 Å²	177	128.2 Å²	128.2	78%	0.776	74%	0.74	S	S	*	*			trans	-58.9	84.4	154.4	-87.3	-91.3	0	0	0	105.1	S11 L15	S11-F13 PolarHBondContact O-N 2.74Å; F13-L15 PolarHBondContact O-N 3.37Å
14	V	63.6	Low	59.9	Low	111 Å²	111	127.8 Å²	127.8	67%	0.673	74%	0.738	S	S	*	*			trans	-54.6	104.4	159.6	175.3	0	0	0	0	103.4	S12 L16	S12-V14 PolarHBondContact O-N 2.75Å; V14-L16 PolarHBondContact O-N 2.76Å
15	L	54	Low	61.6	Low	150 Å²	150	124.2 Å²	124.2	79%	0.785	72%	0.723	S	S	*	*			trans	-58.6	95.3	168.5	-74.1	162.3	0	0	0	105.2	F13 T17	F13-L15 PolarHBondContact O-N 3.37Å; L15-T17 PolarHBondContact O-N 2.76Å
16	L	56.3	Low	63.1	Low	157 Å²	157	119.5 Å²	119.5	82%	0.822	69%	0.694	S	S	*	*			trans	-65.7	74.6	162.3	-71.4	165.4	0	0	0	105.5	V14 S18	V14-L16 PolarHBondContact O-N 2.76Å; L16-S18 VanDerWaalsContact C-N 3.34Å; L16-S18 PolarHBondContact O-N 2.88Å
17	T	60.1	Low	65.2	Low	110 Å²	110	113.6 Å²	113.6	68%	0.675	68%	0.681	S	S	*	*			trans	-57.9	111.3	157.7	56.5	0	0	0	0	104	L15 G19	L15-T17 PolarHBondContact O-N 2.76Å; T17-G19 PolarHBondContact O-N 2.8Å
18	S	61.3	Low	67.5	Low	124 Å²	124	115 Å²	115	87%	0.867	68%	0.676	S	S	*	*			trans	-67.9	45.2	168.2	50.5	0	0	0	0	110.2	L16	L16-S18 VanDerWaalsContact C-N 3.34Å; L16-S18 PolarHBondContact O-N 2.88Å
19	G	58.8	Low	69.8	Low	46 Å²	46	114.1 Å²	114.1	47%	0.474	67%	0.672	S	S	.	*			trans	-68.1	129.5	155.1	0	0	0	0	0	106	T17 V21	T17-G19 PolarHBondContact O-N 2.8Å; G19-V21 PolarHBondContact O-N 2.86Å
20	N	61.4	Low	71.8	Confident	173 Å²	173	108.4 Å²	108.4	93%	0.925	64%	0.636	S	S	*	*			trans	-58.8	89.3	165.6	-81.5	-31	0	0	0	107.9	G22	N20-G22 PolarHBondContact O-N 2.9Å
21	V	64.1	Low	73.8	Confident	129 Å²	129	110.6 Å²	110.6	78%	0.782	64%	0.64	S	S	*	*			trans	-65.2	103.8	170.5	176.8	0	0	0	0	105.2	G19 M23	G19-V21 PolarHBondContact O-N 2.86Å; V21-M23 PolarHBondContact O-N 2.8Å
22	G	73.6	Confident	75.5	Confident	62 Å²	62	110.4 Å²	110.4	64%	0.639	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-58.7	121.9	174.6	0	0	0	0	0	108.8	N20 P24	N20-G22 PolarHBondContact O-N 2.9Å; G22-P24 VanDerWaalsContact O-CD 3.32Å; G22-P24 WeakPolarHBondContact O-CD 3.32Å
23	M	83.1	Confident	77.3	Confident	142 Å²	142	109 Å²	109	70%	0.7	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-58.7	120.8	175.9	-175.3	169.5	72.7	0	0	108.9	V21 G25 A26	V21-M23 PolarHBondContact O-N 2.8Å; M23-G25 PolarHBondContact O-N 3.33Å; M23-A26 HydrophobicContact CB-CB 4.11Å; M23-A26 HydrophobicContact CE-CB 3.97Å; M23-A26 WeakPolarHBondContact O-CB 3.3Å; M23-A26 PolarHBondContact O-N 3.07Å; M23-A26 VanDerWaalsContact O-N 3.07Å
24	P	81.1	Confident	79	Confident	121 Å²	121	107.1 Å²	107.1	79%	0.786	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	133.6	177.6	-26.4	35.2	0	0	0	110.7	G22 A26	G22-P24 VanDerWaalsContact O-CD 3.32Å; G22-P24 WeakPolarHBondContact O-CD 3.32Å; P24-A26 VanDerWaalsContact C-N 3.29Å; P24-A26 PolarHBondContact O-N 2.76Å
25	G	87.4	Confident	80.4	Confident	38 Å²	38	104.8 Å²	104.8	39%	0.392	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	78.3	-0.1	-179.5	0	0	0	0	0	115.6	M23 Q72	M23-G25 PolarHBondContact O-N 3.33Å; G25-Q72 VanDerWaalsContact O-CD 3.31Å; G25-Q72 WeakPolarHBondContact O-CG 3.43Å; G25-Q72 PolarHBondContact O-NE2 3.18Å
26	A	93	Very high	82.3	Confident	33 Å²	33	98.8 Å²	98.8	27%	0.273	58%	0.577	S	S	.	*	S	Bend	trans	-74.5	154.9	167.6	0	0	0	0	0	111.5	M23 P24 R28	M23-A26 HydrophobicContact CB-CB 4.11Å; M23-A26 HydrophobicContact CE-CB 3.97Å; M23-A26 WeakPolarHBondContact O-CB 3.3Å; M23-A26 PolarHBondContact O-N 3.07Å; M23-A26 VanDerWaalsContact O-N 3.07Å; P24-A26 VanDerWaalsContact C-N 3.29Å; P24-A26 PolarHBondContact O-N 2.76Å; A26-R28 PolarHBondContact O-N 3.18Å
27	P	95.8	Very high	84.1	Confident	80 Å²	80	92.7 Å²	92.7	52%	0.519	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-61.3	120.1	173.3	-22	34.1	0	0	0	111.4	Q72	P27-Q72 HydrophobicContact CG-CB 4.48Å; P27-Q72 HydrophobicContact CG-CG 4.32Å
28	R	95.5	Very high	85.7	Confident	171 Å²	171	93.9 Å²	93.9	65%	0.645	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.5	174.4	171.1	-178.3	-179.6	-130.6	3.6	109.9	A26 T70 S71	A26-R28 PolarHBondContact O-N 3.18Å; R28-T70 CarbonylContact O-C 3.55Å; R28-T70 WeakPolarHBondContact O-CA 3.42Å; R28-T70 WeakPolarHBondContact O-CB 3.43Å; R28-S71 PolarHBondContact N-O 2.86Å; R28-S71 PolarHBondContact O-N 2.94Å
29	K	96	Very high	87.3	Confident	147 Å²	147	94.2 Å²	94.2	64%	0.639	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	129.1	169.2	-169.9	173.9	-177.8	179.5	0	110.4	N68	K29-N68 VanDerWaalsContact CE-OD1 3.28Å; K29-N68 WeakPolarHBondContact CE-OD1 3.4Å
30	L	95.7	Very high	89.1	Confident	24 Å²	24	92.2 Å²	92.2	13%	0.126	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-90	148.2	171.9	-60.2	-172.1	0	0	0	109.9	T36 F40 V69 S71 Y79	L30-T36 HydrophobicContact CB-CG2 4.44Å; L30-F40 HydrophobicContact CD1-CE2 4.09Å; L30-F40 HydrophobicContact CD1-CZ 4.27Å; L30-V69 HydrophobicContact CB-CB 4.3Å; L30-V69 HydrophobicContact CB-CG1 4.4Å; L30-V69 HydrophobicContact CD1-CG1 3.87Å; L30-V69 HydrophobicContact CG-CG1 4.32Å; L30-V69 PolarHBondContact N-O 3.22Å; L30-S71 WeakPolarHBondContact CD2-OG 3.15Å; L30-Y79 HydrophobicContact CD1-CD1 4.35Å; L30-Y79 HydrophobicContact CD1-CE1 4.22Å
31	Q	95.1	Very high	90.7	Very high	152 Å²	152	84.2 Å²	84.2	71%	0.71	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-74.3	136.7	173.9	-65.3	-165	17	0	0	109.8	N33 T36	Q31-N33 PolarHBondContact O-N 2.99Å; Q31-T36 VanDerWaalsContact O-CB 3.24Å; Q31-T36 WeakPolarHBondContact O-CB 3.21Å; Q31-T36 WeakPolarHBondContact O-CG2 2.99Å; Q31-T36 PolarHBondContact O-OG1 2.95Å
32	L	94.4	Very high	92.1	Very high	71 Å²	71	83.8 Å²	83.8	37%	0.372	46%	0.455	S	S	.	.			trans	-92.2	76	179.3	-60.7	179.3	0	0	0	110.3	L66 V67 V69	L32-L66 VanDerWaalsContact CD1-O 3.25Å; L32-L66 WeakPolarHBondContact CD1-O 3.49Å; L32-L66 HydrophobicContact CD2-CD2 3.95Å; L32-L66 HydrophobicContact CD2-CG 3.99Å; L32-V67 WeakPolarHBondContact CD1-O 3.46Å; L32-V69 HydrophobicContact CD2-CB 4.23Å; L32-V69 HydrophobicContact CD2-CG2 3.8Å
33	N	94.4	Very high	93.2	Very high	71 Å²	71	81.7 Å²	81.7	38%	0.38	43%	0.428	S	S	.	.	S	Bend	trans	-109.3	171.3	172.7	61.7	18	0	0	0	110.7	Q31 A35 T36 I37	Q31-N33 PolarHBondContact O-N 2.99Å; N33-A35 PolarHBondContact O-N 2.71Å; N33-A35 PolarHBondContact OD1-N 2.75Å; N33-T36 PolarHBondContact O-N 2.98Å; N33-T36 WeakPolarHBondContact OD1-CB 3.44Å; N33-T36 PolarHBondContact OD1-N 3.36Å; N33-T36 PolarHBondContact OD1-OG1 2.8Å; N33-I37 WeakPolarHBondContact O-CG1 3.37Å; N33-I37 PolarHBondContact O-N 3.26Å
34	N	93.8	Very high	93.8	Very high	137 Å²	137	75 Å²	75	73%	0.733	40%	0.396	S	S	*	.	H	α-helix	trans	-54.6	-41.3	-178.9	-66.6	-4.2	0	0	0	112.1	T36 I37 E38	N34-T36 VanDerWaalsContact C-N 3.34Å; N34-T36 PolarHBondContact O-N 3.07Å; N34-I37 PolarHBondContact O-N 3.04Å; N34-E38 VanDerWaalsContact O-CB 3.29Å; N34-E38 WeakPolarHBondContact O-CB 3.25Å; N34-E38 PolarHBondContact O-N 3.49Å
35	A	94.5	Very high	94.5	Very high	63 Å²	63	69.6 Å²	69.6	52%	0.521	36%	0.361	S	S	.	.	H	α-helix	trans	-62.8	-38.2	178.4	0	0	0	0	0	113	N33 K39	N33-A35 PolarHBondContact O-N 2.71Å; N33-A35 PolarHBondContact OD1-N 2.75Å; A35-K39 VanDerWaalsContact O-CB 3.26Å; A35-K39 WeakPolarHBondContact O-CB 3.35Å; A35-K39 PolarHBondContact O-N 3.01Å
36	T	93.9	Very high	94.9	Very high	23 Å²	23	72.9 Å²	72.9	14%	0.141	36%	0.364	C	S	.	.	H	α-helix	trans	-71.1	-38.7	177	-58.5	0	0	0	0	111.1	L30 Q31 N33 N34 F40	L30-T36 HydrophobicContact CB-CG2 4.44Å; Q31-T36 VanDerWaalsContact O-CB 3.24Å; Q31-T36 WeakPolarHBondContact O-CB 3.21Å; Q31-T36 WeakPolarHBondContact O-CG2 2.99Å; Q31-T36 PolarHBondContact O-OG1 2.95Å; N33-T36 PolarHBondContact O-N 2.98Å; N33-T36 WeakPolarHBondContact OD1-CB 3.44Å; N33-T36 PolarHBondContact OD1-N 3.36Å; N33-T36 PolarHBondContact OD1-OG1 2.8Å; N34-T36 VanDerWaalsContact C-N 3.34Å; N34-T36 PolarHBondContact O-N 3.07Å; T36-F40 HydrophobicContact CG2-CD2 4.1Å; T36-F40 HydrophobicContact CG2-CE2 3.95Å; T36-F40 WeakPolarHBondContact O-CD2 3.32Å; T36-F40 PolarHBondContact O-N 3.46Å
37	I	93.4	Very high	95.1	Very high	29 Å²	29	71.5 Å²	71.5	15%	0.149	35%	0.352	C	S	.	.	H	α-helix	trans	-65.1	-48.6	176.4	-66.1	168.6	0	0	0	110.1	N33 N34 K39 F40 G41 L66 Y103 F104	N33-I37 WeakPolarHBondContact O-CG1 3.37Å; N33-I37 PolarHBondContact O-N 3.26Å; N34-I37 PolarHBondContact O-N 3.04Å; I37-K39 VanDerWaalsContact C-N 3.34Å; I37-K39 PolarHBondContact O-N 3.37Å; I37-F40 CarbonylContact O-C 3.56Å; I37-F40 PolarHBondContact O-N 2.72Å; I37-F40 VanDerWaalsContact O-N 3.15Å; I37-G41 PolarHBondContact O-N 2.92Å; I37-G41 VanDerWaalsContact O-N 3.07Å; I37-L66 HydrophobicContact CG1-CD2 4.4Å; I37-Y103 HydrophobicContact CG2-CD2 3.55Å; I37-Y103 HydrophobicContact CG2-CE2 3.32Å; I37-F104 HydrophobicContact CD1-CE2 4.22Å; I37-F104 HydrophobicContact CG2-CD2 4.04Å; I37-F104 HydrophobicContact CG2-CE2 3.66Å
38	E	94.1	Very high	95.1	Very high	135 Å²	135	68 Å²	68	63%	0.631	33%	0.33	S	S	*	.	H	α-helix	trans	-58.6	-45	177.9	-175.7	-176.2	167.6	0	0	111.4	N34 F40 G41	N34-E38 VanDerWaalsContact O-CB 3.29Å; N34-E38 WeakPolarHBondContact O-CB 3.25Å; N34-E38 PolarHBondContact O-N 3.49Å; E38-F40 PolarHBondContact O-N 2.79Å; E38-F40 VanDerWaalsContact O-N 3.13Å; E38-G41 PolarHBondContact O-N 2.99Å
39	K	94.8	Very high	95	Very high	131 Å²	131	62.8 Å²	62.8	57%	0.57	31%	0.313	S	S	*	.	H	α-helix	trans	-53.3	-36	176.9	174.8	176.5	176.7	175.9	0	113.2	A35 I37	A35-K39 VanDerWaalsContact O-CB 3.26Å; A35-K39 WeakPolarHBondContact O-CB 3.35Å; A35-K39 PolarHBondContact O-N 3.01Å; I37-K39 VanDerWaalsContact C-N 3.34Å; I37-K39 PolarHBondContact O-N 3.37Å
40	F	95.9	Very high	95	Very high	5 Å²	5	59 Å²	59	2%	0.022	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	8.2	-178.1	-64.8	-63.8	0	0	0	113	L30 T36 I37 E38 H42 E43 L44 V69 Y79 F81	L30-F40 HydrophobicContact CD1-CE2 4.09Å; L30-F40 HydrophobicContact CD1-CZ 4.27Å; T36-F40 HydrophobicContact CG2-CD2 4.1Å; T36-F40 HydrophobicContact CG2-CE2 3.95Å; T36-F40 WeakPolarHBondContact O-CD2 3.32Å; T36-F40 PolarHBondContact O-N 3.46Å; I37-F40 CarbonylContact O-C 3.56Å; I37-F40 PolarHBondContact O-N 2.72Å; I37-F40 VanDerWaalsContact O-N 3.15Å; E38-F40 PolarHBondContact O-N 2.79Å; E38-F40 VanDerWaalsContact O-N 3.13Å; F40-H42 PolarHBondContact O-N 2.85Å; F40-E43 PolarHBondContact O-N 3.41Å; F40-E43 VanDerWaalsContact O-N 3.14Å; F40-L44 HydrophobicContact CB-CD1 4.3Å; F40-L44 HydrophobicContact CB-CG 4.26Å; F40-L44 WeakPolarHBondContact O-CB 3.39Å; F40-L44 VanDerWaalsContact O-CG 3.28Å; F40-L44 WeakPolarHBondContact O-CG 3.21Å; F40-L44 PolarHBondContact O-N 2.83Å; F40-V69 HydrophobicContact CE2-CG1 4.3Å; F40-Y79 HydrophobicContact CE1-CD1 4.1Å; F40-Y79 HydrophobicContact CE1-CD2 4.2Å; F40-Y79 HydrophobicContact CE1-CE1 4.05Å; F40-Y79 HydrophobicContact CE1-CE2 4.1Å; F40-Y79 HydrophobicContact CE1-CG 4.18Å; F40-Y79 AromaticContact CZ-CD1 3.67Å; F40-Y79 HydrophobicContact CZ-CD1 3.67Å; F40-Y79 AromaticContact CZ-CE1 3.55Å; F40-Y79 HydrophobicContact CZ-CE1 3.55Å; F40-Y79 HydrophobicContact CZ-CE2 4.44Å; F40-Y79 HydrophobicContact CZ-CG 4.19Å; F40-Y79 AromaticContact CZ-CZ 3.94Å; F40-F81 HydrophobicContact CB-CE1 4.18Å; F40-F81 AromaticContact CD1-CE1 3.95Å; F40-F81 HydrophobicContact CD1-CE1 3.95Å; F40-F81 AromaticContact CD1-CZ 3.72Å; F40-F81 HydrophobicContact CD1-CZ 3.72Å; F40-F81 AromaticContact CD2-CE1 3.79Å; F40-F81 HydrophobicContact CD2-CE1 3.79Å; F40-F81 HydrophobicContact CD2-CZ 4.36Å; F40-F81 HydrophobicContact CE1-CE1 4.25Å; F40-F81 AromaticContact CE1-CZ 3.89Å; F40-F81 HydrophobicContact CE1-CZ 3.89Å; F40-F81 HydrophobicContact CE2-CE1 4.11Å; F40-F81 AromaticContact CG-CE1 3.71Å; F40-F81 HydrophobicContact CG-CE1 3.71Å; F40-F81 AromaticContact CG-CZ 3.98Å; F40-F81 HydrophobicContact CG-CZ 3.98Å; F40-F81 HydrophobicContact CZ-CE1 4.33Å; F40-F81 HydrophobicContact CZ-CZ 4.29Å
41	G	94.9	Very high	95	Very high	5 Å²	5	57.9 Å²	57.9	5%	0.052	29%	0.29	C	S	.	.	H	α-helix	trans	-57.2	-45.3	-170.8	0	0	0	0	0	113.6	I37 E38 L44 A45	I37-G41 PolarHBondContact O-N 2.92Å; I37-G41 VanDerWaalsContact O-N 3.07Å; E38-G41 PolarHBondContact O-N 2.99Å; G41-L44 PolarHBondContact O-N 2.81Å; G41-A45 PolarHBondContact O-N 2.83Å
42	H	94.5	Very high	95	Very high	119 Å²	119	51.3 Å²	51.3	55%	0.551	26%	0.26	S	S	*	.	H	α-helix	trans	-67.9	-37.6	178.5	172.5	-110.3	0	0	0	112.5	F40 A45 K46	F40-H42 PolarHBondContact O-N 2.85Å; H42-A45 PolarHBondContact O-N 2.84Å; H42-K46 WeakPolarHBondContact CE1-CE 2.76Å; H42-K46 PolarHBondContact CE1-NZ 2.95Å; H42-K46 VanDerWaalsContact CE1-NZ 3.3Å; H42-K46 WeakPolarHBondContact NE2-CE 3.38Å; H42-K46 PolarHBondContact O-N 2.9Å; H42-K46 VanDerWaalsContact O-N 3.15Å
43	E	95.2	Very high	94.9	Very high	19 Å²	19	52.5 Å²	52.5	9%	0.089	27%	0.274	C	S	.	.	H	α-helix	trans	-67.6	-39	174.2	-69.8	72.7	-169.8	0	0	111.3	F40 K46 V47 L124 K136 I138	F40-E43 PolarHBondContact O-N 3.41Å; F40-E43 VanDerWaalsContact O-N 3.14Å; E43-K46 PolarHBondContact O-N 2.78Å; E43-V47 WeakPolarHBondContact O-CB 3.47Å; E43-V47 VanDerWaalsContact O-CG2 3.23Å; E43-V47 WeakPolarHBondContact O-CG2 3.49Å; E43-V47 PolarHBondContact O-N 2.84Å; E43-L124 HydrophobicContact CB-CD2 4.5Å; E43-L124 HydrophobicContact CG-CD2 3.96Å; E43-K136 IonicContact OE1-NZ 2.72Å; E43-K136 PolarHBondContact OE1-NZ 3.31Å; E43-I138 HydrophobicContact CB-CD1 4.44Å
44	L	96.8	Very high	94.9	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-66.3	-37.9	175.8	-70.5	173.1	0	0	0	111.6	F40 G41 V47 A48 I63 L66 V83	F40-L44 HydrophobicContact CB-CD1 4.3Å; F40-L44 HydrophobicContact CB-CG 4.26Å; F40-L44 WeakPolarHBondContact O-CB 3.39Å; F40-L44 VanDerWaalsContact O-CG 3.28Å; F40-L44 WeakPolarHBondContact O-CG 3.21Å; F40-L44 PolarHBondContact O-N 2.83Å; G41-L44 PolarHBondContact O-N 2.81Å; L44-V47 WeakPolarHBondContact O-CB 3.33Å; L44-V47 PolarHBondContact O-N 2.84Å; L44-A48 PolarHBondContact O-N 2.8Å; L44-I63 HydrophobicContact CB-CD1 4Å; L44-I63 HydrophobicContact CD2-CD1 4.21Å; L44-I63 WeakPolarHBondContact O-CD1 3.23Å; L44-L66 HydrophobicContact CD1-CD2 4.34Å; L44-L66 HydrophobicContact CD2-CD1 4.43Å; L44-V83 HydrophobicContact CD2-CG2 4.33Å
45	A	95.4	Very high	94.8	Very high	6 Å²	6	51.2 Å²	51.2	5%	0.05	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-48	171.5	0	0	0	0	0	111.5	G41 H42 V47 A48 H49 L100 D101	G41-A45 PolarHBondContact O-N 2.83Å; H42-A45 PolarHBondContact O-N 2.84Å; A45-V47 VanDerWaalsContact C-N 3.28Å; A45-V47 PolarHBondContact O-N 2.82Å; A45-A48 WeakPolarHBondContact O-CB 3.38Å; A45-A48 PolarHBondContact O-N 2.83Å; A45-H49 PolarHBondContact O-CD2 2.9Å; A45-H49 PolarHBondContact O-N 3.49Å; A45-L100 WeakPolarHBondContact CA-O 3.41Å; A45-L100 WeakPolarHBondContact CB-O 3.5Å; A45-D101 WeakPolarHBondContact CB-O 3.44Å
46	K	95.6	Very high	94.2	Very high	108 Å²	108	49.7 Å²	49.7	47%	0.47	25%	0.249	S	C	.	.	H	α-helix	trans	-58.6	-39.3	174.3	-71.3	179.7	177.2	-175.1	0	112.7	H42 E43 A48 K50 I138	H42-K46 WeakPolarHBondContact CE1-CE 2.76Å; H42-K46 PolarHBondContact CE1-NZ 2.95Å; H42-K46 VanDerWaalsContact CE1-NZ 3.3Å; H42-K46 WeakPolarHBondContact NE2-CE 3.38Å; H42-K46 PolarHBondContact O-N 2.9Å; H42-K46 VanDerWaalsContact O-N 3.15Å; E43-K46 PolarHBondContact O-N 2.78Å; K46-A48 VanDerWaalsContact C-N 3.35Å; K46-K50 WeakPolarHBondContact O-CB 3.33Å; K46-K50 PolarHBondContact O-N 2.92Å; K46-I138 HydrophobicContact CB-CD1 4.02Å; K46-I138 HydrophobicContact CD-CD1 4.38Å
47	V	97.1	Very high	93.6	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.024	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-40.3	175.2	164.9	0	0	0	0	111.3	E43 L44 A45 K50 F51 I63 F85 V122 I138	E43-V47 WeakPolarHBondContact O-CB 3.47Å; E43-V47 VanDerWaalsContact O-CG2 3.23Å; E43-V47 WeakPolarHBondContact O-CG2 3.49Å; E43-V47 PolarHBondContact O-N 2.84Å; L44-V47 WeakPolarHBondContact O-CB 3.33Å; L44-V47 PolarHBondContact O-N 2.84Å; A45-V47 VanDerWaalsContact C-N 3.28Å; A45-V47 PolarHBondContact O-N 2.82Å; V47-K50 PolarHBondContact O-N 2.86Å; V47-F51 WeakPolarHBondContact O-CB 3.49Å; V47-F51 PolarHBondContact O-N 2.97Å; V47-I63 HydrophobicContact CG1-CD1 4.27Å; V47-F85 HydrophobicContact CG1-CE1 4.33Å; V47-F85 HydrophobicContact CG1-CZ 3.66Å; V47-V122 HydrophobicContact CG1-CG1 4.12Å; V47-V122 HydrophobicContact CG1-CG2 4.04Å; V47-V122 HydrophobicContact CG2-CG1 3.68Å; V47-I138 HydrophobicContact CG2-CD1 4.32Å; V47-I138 HydrophobicContact CG2-CG2 3.48Å; V47-I138 VanDerWaalsContact CG2-CG2 3.48Å
48	A	95.3	Very high	93.2	Very high	5 Å²	5	57.5 Å²	57.5	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-46.4	177.2	0	0	0	0	0	112.1	L44 A45 K46 K50 F51 N52 I63 L100	L44-A48 PolarHBondContact O-N 2.8Å; A45-A48 WeakPolarHBondContact O-CB 3.38Å; A45-A48 PolarHBondContact O-N 2.83Å; K46-A48 VanDerWaalsContact C-N 3.35Å; A48-K50 PolarHBondContact O-N 2.84Å; A48-F51 PolarHBondContact O-N 2.92Å; A48-N52 PolarHBondContact O-N 3.3Å; A48-N52 VanDerWaalsContact O-N 3.11Å; A48-N52 PolarHBondContact O-ND2 3.38Å; A48-I63 HydrophobicContact CB-CD1 4Å; A48-I63 HydrophobicContact CB-CG1 4.16Å; A48-L100 HydrophobicContact CB-CB 4.27Å; A48-L100 HydrophobicContact CB-CD2 4.16Å
49	H	94.7	Very high	93	Very high	63 Å²	63	53 Å²	53	29%	0.292	28%	0.279	S	S	.	.	H	α-helix	trans	-56.9	-49.4	171.9	-81.6	-77.2	0	0	0	112	A45 F51 N52 S53 I97 D101	A45-H49 PolarHBondContact O-CD2 2.9Å; A45-H49 PolarHBondContact O-N 3.49Å; H49-F51 VanDerWaalsContact C-N 3.35Å; H49-F51 PolarHBondContact O-N 3.31Å; H49-N52 PolarHBondContact O-N 2.97Å; H49-S53 PolarHBondContact O-N 3.22Å; H49-I97 VanDerWaalsContact CE1-CG2 3.49Å; H49-I97 WeakPolarHBondContact CE1-CG2 3.2Å; H49-D101 IonicContact CD2-OD1 3.83Å; H49-D101 IonicContact CE1-OD1 3.55Å; H49-D101 IonicContact NE2-OD1 2.74Å; H49-D101 PolarHBondContact NE2-OD1 3.47Å
50	K	95.8	Very high	92.8	Very high	66 Å²	66	46.8 Å²	46.8	29%	0.287	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-43.9	179.8	-171.6	164.1	-171.2	155.1	0	112.2	K46 V47 A48 N52 S53 E54 I138 I140	K46-K50 WeakPolarHBondContact O-CB 3.33Å; K46-K50 PolarHBondContact O-N 2.92Å; V47-K50 PolarHBondContact O-N 2.86Å; A48-K50 PolarHBondContact O-N 2.84Å; K50-N52 PolarHBondContact O-N 3.3Å; K50-S53 WeakPolarHBondContact CA-OG 3.15Å; K50-S53 PolarHBondContact O-N 2.72Å; K50-S53 PolarHBondContact O-OG 3.47Å; K50-E54 WeakPolarHBondContact CE-OE1 3.24Å; K50-E54 HydrophobicContact CG-CG 4.39Å; K50-E54 IonicContact NZ-OE1 3.8Å; K50-E54 PolarHBondContact O-N 2.88Å; K50-I138 HydrophobicContact CD-CG2 4.42Å; K50-I138 PolarHBondContact NZ-O 2.02Å; K50-I140 HydrophobicContact CB-CD1 4.36Å; K50-I140 HydrophobicContact CG-CD1 4.13Å
51	F	96.2	Very high	92.7	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-59.5	-47.6	177.3	178.2	-86.1	0	0	0	111.6	V47 A48 H49 S53 E54 Y55 G56 H61 F85 K118 C120 I140	V47-F51 WeakPolarHBondContact O-CB 3.49Å; V47-F51 PolarHBondContact O-N 2.97Å; A48-F51 PolarHBondContact O-N 2.92Å; H49-F51 VanDerWaalsContact C-N 3.35Å; H49-F51 PolarHBondContact O-N 3.31Å; F51-S53 VanDerWaalsContact C-N 3.27Å; F51-S53 PolarHBondContact O-N 3.24Å; F51-E54 PolarHBondContact O-N 3.38Å; F51-Y55 AromaticContact CD2-CD2 3.86Å; F51-Y55 HydrophobicContact CD2-CD2 3.86Å; F51-Y55 HydrophobicContact CD2-CG 4.3Å; F51-Y55 HydrophobicContact CE2-CD2 4.1Å; F51-Y55 HydrophobicContact CE2-CG 4.1Å; F51-Y55 HydrophobicContact CG-CD2 4.46Å; F51-Y55 WeakPolarHBondContact O-CA 3.5Å; F51-Y55 WeakPolarHBondContact O-CB 3.41Å; F51-Y55 PolarHBondContact O-N 3.33Å; F51-G56 PolarHBondContact O-N 3.14Å; F51-H61 HydrophobicContact CD1-CB 3.8Å; F51-H61 HydrophobicContact CE1-CB 3.45Å; F51-H61 VanDerWaalsContact CE1-CB 3.45Å; F51-H61 AromaticContact CE1-CD2 3.84Å; F51-H61 AromaticContact CE1-CG 3.56Å; F51-F85 HydrophobicContact CB-CD1 3.93Å; F51-F85 HydrophobicContact CB-CE1 3.47Å; F51-F85 VanDerWaalsContact CB-CE1 3.47Å; F51-F85 HydrophobicContact CB-CE2 4.5Å; F51-F85 HydrophobicContact CB-CZ 3.77Å; F51-F85 HydrophobicContact CD1-CB 4.33Å; F51-F85 AromaticContact CD1-CD1 3.71Å; F51-F85 HydrophobicContact CD1-CD1 3.71Å; F51-F85 HydrophobicContact CD1-CE1 4.17Å; F51-F85 HydrophobicContact CD1-CG 4.01Å; F51-F85 AromaticContact CD2-CD1 3.98Å; F51-F85 HydrophobicContact CD2-CD1 3.98Å; F51-F85 AromaticContact CD2-CD2 3.72Å; F51-F85 HydrophobicContact CD2-CD2 3.72Å; F51-F85 HydrophobicContact CD2-CE1 4.05Å; F51-F85 AromaticContact CD2-CE2 3.8Å; F51-F85 HydrophobicContact CD2-CE2 3.8Å; F51-F85 AromaticContact CD2-CG 3.8Å; F51-F85 HydrophobicContact CD2-CG 3.8Å; F51-F85 AromaticContact CD2-CZ 3.94Å; F51-F85 HydrophobicContact CD2-CZ 3.94Å; F51-F85 HydrophobicContact CE1-CB 4Å; F51-F85 HydrophobicContact CE1-CD1 4.25Å; F51-F85 HydrophobicContact CE1-CG 4.14Å; F51-F85 HydrophobicContact CE2-CB 4.18Å; F51-F85 HydrophobicContact CE2-CD1 4.47Å; F51-F85 AromaticContact CE2-CD2 3.86Å; F51-F85 HydrophobicContact CE2-CD2 3.86Å; F51-F85 HydrophobicContact CE2-CE2 4.36Å; F51-F85 AromaticContact CE2-CG 3.91Å; F51-F85 HydrophobicContact CE2-CG 3.91Å; F51-F85 AromaticContact CG-CD1 3.57Å; F51-F85 HydrophobicContact CG-CD1 3.57Å; F51-F85 HydrophobicContact CG-CD2 4.19Å; F51-F85 AromaticContact CG-CE1 3.61Å; F51-F85 HydrophobicContact CG-CE1 3.61Å; F51-F85 HydrophobicContact CG-CE2 4.23Å; F51-F85 AromaticContact CG-CG 3.85Å; F51-F85 HydrophobicContact CG-CG 3.85Å; F51-F85 AromaticContact CG-CZ 3.93Å; F51-F85 HydrophobicContact CG-CZ 3.93Å; F51-F85 HydrophobicContact CZ-CB 3.9Å; F51-F85 HydrophobicContact CZ-CD2 4.44Å; F51-F85 HydrophobicContact CZ-CG 4.07Å; F51-K118 HydrophobicContact CZ-CD 4.36Å; F51-C120 VanDerWaalsContact CE2-SG 3.53Å; F51-I140 HydrophobicContact CB-CD1 3.69Å; F51-I140 HydrophobicContact CD2-CD1 4.19Å; F51-I140 HydrophobicContact CG-CD1 4.43Å
52	N	94	Very high	92.6	Very high	15 Å²	15	47.7 Å²	47.7	8%	0.08	26%	0.256	C	S	.	.	H	α-helix	trans	-66.8	-30.2	179.3	-75.3	-79.5	0	0	0	112.6	A48 H49 K50 G56 L60 H61 L100	A48-N52 PolarHBondContact O-N 3.3Å; A48-N52 VanDerWaalsContact O-N 3.11Å; A48-N52 PolarHBondContact O-ND2 3.38Å; H49-N52 PolarHBondContact O-N 2.97Å; K50-N52 PolarHBondContact O-N 3.3Å; N52-G56 WeakPolarHBondContact O-CA 3.4Å; N52-G56 PolarHBondContact O-N 2.72Å; N52-G56 VanDerWaalsContact O-N 3.07Å; N52-L60 HydrophobicContact CB-CD1 4.44Å; N52-L60 WeakPolarHBondContact OD1-CA 3.48Å; N52-H61 PolarHBondContact ND2-O 3.45Å; N52-H61 PolarHBondContact OD1-N 2.79Å; N52-L100 HydrophobicContact CB-CD1 4.13Å; N52-L100 WeakPolarHBondContact ND2-CD1 3.33Å
53	S	93.4	Very high	92.6	Very high	95 Å²	95	42.3 Å²	42.3	66%	0.664	23%	0.231	S	C	*	.	H	α-helix	trans	-72.5	-36.4	174.2	71.6	0	0	0	0	113.8	H49 K50 F51	H49-S53 PolarHBondContact O-N 3.22Å; K50-S53 WeakPolarHBondContact CA-OG 3.15Å; K50-S53 PolarHBondContact O-N 2.72Å; K50-S53 PolarHBondContact O-OG 3.47Å; F51-S53 VanDerWaalsContact C-N 3.27Å; F51-S53 PolarHBondContact O-N 3.24Å
54	E	94	Very high	92.5	Very high	97 Å²	97	43.5 Å²	43.5	45%	0.453	24%	0.239	S	C	.	.	H	α-helix	trans	-93	-31.6	-174.6	-70.3	-179.3	-175.7	0	0	113.2	K50 F51	K50-E54 WeakPolarHBondContact CE-OE1 3.24Å; K50-E54 HydrophobicContact CG-CG 4.39Å; K50-E54 IonicContact NZ-OE1 3.8Å; K50-E54 PolarHBondContact O-N 2.88Å; F51-E54 PolarHBondContact O-N 3.38Å
55	Y	92.1	Very high	92.3	Very high	85 Å²	85	49.3 Å²	49.3	33%	0.333	26%	0.264	S	S	.	.	H	α-helix	trans	-127.2	-2.5	-171.6	-59.6	-84.1	0	0	0	113.5	F51 N57 I140	F51-Y55 AromaticContact CD2-CD2 3.86Å; F51-Y55 HydrophobicContact CD2-CD2 3.86Å; F51-Y55 HydrophobicContact CD2-CG 4.3Å; F51-Y55 HydrophobicContact CE2-CD2 4.1Å; F51-Y55 HydrophobicContact CE2-CG 4.1Å; F51-Y55 HydrophobicContact CG-CD2 4.46Å; F51-Y55 WeakPolarHBondContact O-CA 3.5Å; F51-Y55 WeakPolarHBondContact O-CB 3.41Å; F51-Y55 PolarHBondContact O-N 3.33Å; Y55-N57 PolarHBondContact O-N 3.4Å; Y55-I140 HydrophobicContact CD2-CD1 4.23Å; Y55-I140 HydrophobicContact CD2-CG2 4.47Å; Y55-I140 HydrophobicContact CE2-CB 4.01Å; Y55-I140 HydrophobicContact CE2-CD1 4.03Å; Y55-I140 HydrophobicContact CE2-CG2 3.56Å
56	G	81.1	Confident	92.4	Very high	30 Å²	30	49.4 Å²	49.4	31%	0.309	26%	0.264	S	S	.	.			trans	-66.6	129.9	177.5	0	0	0	0	0	111.3	F51 N52	F51-G56 PolarHBondContact O-N 3.14Å; N52-G56 WeakPolarHBondContact O-CA 3.4Å; N52-G56 PolarHBondContact O-N 2.72Å; N52-G56 VanDerWaalsContact O-N 3.07Å
57	N	81.2	Confident	92.4	Very high	143 Å²	143	47 Å²	47	77%	0.765	26%	0.258	S	S	*	.	S	Bend	trans	-129	68.1	177.4	-166.2	21.1	0	0	0	109.2	Y55 S59	Y55-N57 PolarHBondContact O-N 3.4Å; N57-S59 PolarHBondContact O-N 3.38Å
58	S	84.6	Confident	92.4	Very high	74 Å²	74	48.5 Å²	48.5	52%	0.517	27%	0.266	S	S	.	.	S	Bend	trans	79.6	-50.7	-171.5	76.7	0	0	0	0	117	T91 T92	S58-T91 CarbonylContact O-C 3.56Å; S58-T91 WeakPolarHBondContact O-CA 3.45Å; S58-T91 WeakPolarHBondContact O-CB 3.38Å; S58-T92 PolarHBondContact O-N 2.98Å; S58-T92 PolarHBondContact O-OG1 2.82Å
59	S	89.6	Confident	92.5	Very high	39 Å²	39	48.3 Å²	48.3	27%	0.273	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	137.7	180	-59.3	0	0	0	0	112.7	N57 H61	N57-S59 PolarHBondContact O-N 3.38Å; S59-H61 PolarHBondContact O-CE1 2.97Å; S59-H61 PolarHBondContact O-ND1 2.04Å
60	L	91.8	Very high	92.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.5	172.3	-165.9	74.9	0	0	0	109.2	N52 T88 C90 T92 V99 L100	N52-L60 HydrophobicContact CB-CD1 4.44Å; N52-L60 WeakPolarHBondContact OD1-CA 3.48Å; L60-T88 WeakPolarHBondContact O-CB 3.27Å; L60-T88 PolarHBondContact O-N 2.83Å; L60-T88 PolarHBondContact O-OG1 2.91Å; L60-C90 HydrophobicContact CB-CB 4.07Å; L60-C90 WeakPolarHBondContact CB-O 3.44Å; L60-C90 HydrophobicContact CD2-CB 4.2Å; L60-C90 PolarHBondContact N-O 3.49Å; L60-T92 HydrophobicContact CD1-CG2 4.43Å; L60-V99 HydrophobicContact CD2-CB 4.27Å; L60-L100 HydrophobicContact CD1-CD1 3.7Å; L60-L100 HydrophobicContact CD1-CD2 3.95Å; L60-L100 HydrophobicContact CD1-CG 3.9Å; L60-L100 HydrophobicContact CD2-CD2 4.03Å; L60-L100 HydrophobicContact CD2-CG 4.27Å; L60-L100 HydrophobicContact CG-CD2 3.9Å; L60-L100 HydrophobicContact CG-CG 4.31Å
61	H	93.3	Very high	92.7	Very high	22 Å²	22	44.3 Å²	44.3	10%	0.102	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.6	176.8	-67.8	66.8	0	0	0	110.2	F51 N52 S59 F85 S86	F51-H61 HydrophobicContact CD1-CB 3.8Å; F51-H61 HydrophobicContact CE1-CB 3.45Å; F51-H61 VanDerWaalsContact CE1-CB 3.45Å; F51-H61 AromaticContact CE1-CD2 3.84Å; F51-H61 AromaticContact CE1-CG 3.56Å; N52-H61 PolarHBondContact ND2-O 3.45Å; N52-H61 PolarHBondContact OD1-N 2.79Å; S59-H61 PolarHBondContact O-CE1 2.97Å; S59-H61 PolarHBondContact O-ND1 2.04Å; H61-F85 HydrophobicContact CB-CB 4.29Å; H61-S86 VanDerWaalsContact CA-O 3.3Å; H61-S86 WeakPolarHBondContact CA-O 3.37Å
62	V	93.3	Very high	92.8	Very high	8 Å²	8	47 Å²	47	5%	0.048	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	153.6	-179.9	-61	0	0	0	0	110.3	T64 F85 S86 T88 V99 L100 P105 L112	V62-T64 HydrophobicContact CG2-CG2 4.01Å; V62-T64 PolarHBondContact O-N 3.43Å; V62-F85 WeakPolarHBondContact O-CA 3.49Å; V62-S86 PolarHBondContact N-O 2.96Å; V62-S86 PolarHBondContact O-N 2.76Å; V62-T88 HydrophobicContact CB-CG2 4.31Å; V62-T88 HydrophobicContact CG1-CG2 3.76Å; V62-T88 HydrophobicContact CG2-CG2 3.68Å; V62-V99 HydrophobicContact CG1-CG1 4.19Å; V62-L100 HydrophobicContact CG1-CD2 4.13Å; V62-P105 HydrophobicContact CB-CG 3.84Å; V62-P105 HydrophobicContact CG1-CG 3.77Å; V62-P105 HydrophobicContact CG2-CG 4.29Å; V62-L112 HydrophobicContact CG2-CD2 3.78Å
63	I	94.3	Very high	92.9	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	115.5	172.7	-63	174.2	0	0	0	107.7	L44 V47 A48 V83 K84 F85 F104	L44-I63 HydrophobicContact CB-CD1 4Å; L44-I63 HydrophobicContact CD2-CD1 4.21Å; L44-I63 WeakPolarHBondContact O-CD1 3.23Å; V47-I63 HydrophobicContact CG1-CD1 4.27Å; A48-I63 HydrophobicContact CB-CD1 4Å; A48-I63 HydrophobicContact CB-CG1 4.16Å; I63-V83 HydrophobicContact CB-CG1 4.13Å; I63-V83 HydrophobicContact CD1-CG1 3.86Å; I63-V83 HydrophobicContact CG1-CG1 3.66Å; I63-V83 HydrophobicContact CG2-CG1 3.49Å; I63-V83 VanDerWaalsContact CG2-CG1 3.49Å; I63-K84 WeakPolarHBondContact CA-O 3.32Å; I63-F85 HydrophobicContact CD1-CE1 4.19Å; I63-F85 HydrophobicContact CG1-CD1 3.99Å; I63-F85 HydrophobicContact CG1-CE1 3.58Å; I63-F85 HydrophobicContact CG1-CZ 4.2Å; I63-F104 HydrophobicContact CG2-CD1 4.35Å; I63-F104 HydrophobicContact CG2-CE1 3.72Å; I63-F104 HydrophobicContact CG2-CZ 4.19Å; I63-F104 WeakPolarHBondContact O-CD1 3.34Å
64	T	92.9	Very high	93	Very high	44 Å²	44	50 Å²	50	27%	0.27	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-21.8	179.2	53.7	0	0	0	0	113.1	V62 K84 S86 F104 L112	V62-T64 HydrophobicContact CG2-CG2 4.01Å; V62-T64 PolarHBondContact O-N 3.43Å; T64-K84 PolarHBondContact N-O 3.46Å; T64-S86 VanDerWaalsContact CG2-CB 3.5Å; T64-S86 WeakPolarHBondContact CG2-OG 3.42Å; T64-S86 PolarHBondContact OG1-OG 3.33Å; T64-F104 WeakPolarHBondContact O-CE1 3.31Å; T64-L112 HydrophobicContact CG2-CD1 4Å; T64-L112 HydrophobicContact CG2-CD2 3.65Å
65	K	93.5	Very high	93	Very high	124 Å²	124	51.5 Å²	51.5	54%	0.539	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	137.9	171.5	-166.9	172.6	-179.6	176.7	0	112.4	V67 K84	K65-V67 HydrophobicContact CD-CG2 4.41Å; K65-V67 HydrophobicContact CG-CG2 4.32Å; K65-K84 HydrophobicContact CB-CB 3.89Å; K65-K84 HydrophobicContact CB-CD 4.37Å; K65-K84 PolarHBondContact O-N 2.86Å
66	L	95.9	Very high	93.2	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.047	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	105.4	160.1	-176.3	57.1	0	0	0	107.2	L32 I37 L44 V69 F81 V83 F104	L32-L66 VanDerWaalsContact CD1-O 3.25Å; L32-L66 WeakPolarHBondContact CD1-O 3.49Å; L32-L66 HydrophobicContact CD2-CD2 3.95Å; L32-L66 HydrophobicContact CD2-CG 3.99Å; I37-L66 HydrophobicContact CG1-CD2 4.4Å; L44-L66 HydrophobicContact CD1-CD2 4.34Å; L44-L66 HydrophobicContact CD2-CD1 4.43Å; L66-V69 HydrophobicContact CD1-CG2 3.71Å; L66-V69 HydrophobicContact CD2-CG2 3.6Å; L66-V69 HydrophobicContact CG-CG2 3.77Å; L66-F81 HydrophobicContact CD1-CB 4.07Å; L66-F81 HydrophobicContact CD1-CD1 3.95Å; L66-F81 HydrophobicContact CD1-CG 4.5Å; L66-V83 HydrophobicContact CD1-CG2 3.96Å; L66-F104 HydrophobicContact CB-CZ 4.14Å
67	V	96.2	Very high	94	Very high	57 Å²	57	49 Å²	49	35%	0.345	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-42.1	-170.8	179.8	0	0	0	0	111.2	L32 K65 F82 K84 I119	L32-V67 WeakPolarHBondContact CD1-O 3.46Å; K65-V67 HydrophobicContact CD-CG2 4.41Å; K65-V67 HydrophobicContact CG-CG2 4.32Å; V67-F82 WeakPolarHBondContact CA-O 3.36Å; V67-F82 HydrophobicContact CB-CB 4.01Å; V67-F82 WeakPolarHBondContact CB-O 3.28Å; V67-F82 PolarHBondContact N-O 3.06Å; V67-K84 HydrophobicContact CG2-CB 4.33Å; V67-I119 HydrophobicContact CG2-CD1 4.26Å
68	N	97.1	Very high	94.7	Very high	36 Å²	36	45.1 Å²	45.1	19%	0.193	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	151.3	-179.7	-170.8	21.8	0	0	0	110.5	K29 F81 F82	K29-N68 VanDerWaalsContact CE-OD1 3.28Å; K29-N68 WeakPolarHBondContact CE-OD1 3.4Å; N68-F81 CarbonylContact O-C 3.59Å; N68-F81 WeakPolarHBondContact O-CA 3.47Å; N68-F82 HydrophobicContact CB-CB 4.27Å; N68-F82 HydrophobicContact CB-CD2 4.07Å; N68-F82 PolarHBondContact N-O 3.03Å; N68-F82 PolarHBondContact O-N 3.15Å
69	V	97.9	Very high	95.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.9	169.5	-175.7	0	0	0	0	109.7	L30 L32 F40 L66 T80 F81	L30-V69 HydrophobicContact CB-CB 4.3Å; L30-V69 HydrophobicContact CB-CG1 4.4Å; L30-V69 HydrophobicContact CD1-CG1 3.87Å; L30-V69 HydrophobicContact CG-CG1 4.32Å; L30-V69 PolarHBondContact N-O 3.22Å; L32-V69 HydrophobicContact CD2-CB 4.23Å; L32-V69 HydrophobicContact CD2-CG2 3.8Å; F40-V69 HydrophobicContact CE2-CG1 4.3Å; L66-V69 HydrophobicContact CD1-CG2 3.71Å; L66-V69 HydrophobicContact CD2-CG2 3.6Å; L66-V69 HydrophobicContact CG-CG2 3.77Å; V69-T80 CarbonylContact C-O 3.56Å; V69-T80 WeakPolarHBondContact CA-O 3.33Å; V69-F81 HydrophobicContact CB-CD1 4.29Å; V69-F81 HydrophobicContact CG1-CD1 3.89Å; V69-F81 HydrophobicContact CG1-CE1 3.79Å; V69-F81 HydrophobicContact CG2-CD1 3.41Å; V69-F81 VanDerWaalsContact CG2-CD1 3.41Å; V69-F81 HydrophobicContact CG2-CE1 3.91Å; V69-F81 HydrophobicContact CG2-CG 4.33Å
70	T	97.7	Very high	95.8	Very high	26 Å²	26	41.1 Å²	41.1	16%	0.16	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	153.4	166.3	67	0	0	0	0	110.9	R28 Y79 T80	R28-T70 CarbonylContact O-C 3.55Å; R28-T70 WeakPolarHBondContact O-CA 3.42Å; R28-T70 WeakPolarHBondContact O-CB 3.43Å; T70-Y79 CarbonylContact O-C 3.53Å; T70-Y79 WeakPolarHBondContact O-CA 3.08Å; T70-T80 PolarHBondContact N-O 3.34Å; T70-T80 PolarHBondContact O-N 3.03Å; T70-T80 WeakPolarHBondContact OG1-CB 3.41Å
71	S	97.6	Very high	96.1	Very high	20 Å²	20	41.3 Å²	41.3	14%	0.14	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140	174.5	63.2	0	0	0	0	110.2	R28 L30 F78	R28-S71 PolarHBondContact N-O 2.86Å; R28-S71 PolarHBondContact O-N 2.94Å; L30-S71 WeakPolarHBondContact CD2-OG 3.15Å; S71-F78 CarbonylContact C-O 3.51Å; S71-F78 WeakPolarHBondContact CA-O 3.38Å
72	Q	97.4	Very high	96.4	Very high	58 Å²	58	43 Å²	43	27%	0.271	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.3	178.1	-167.1	178.7	24.8	0	0	110	G25 P27 V74 I77 F78	G25-Q72 VanDerWaalsContact O-CD 3.31Å; G25-Q72 WeakPolarHBondContact O-CG 3.43Å; G25-Q72 PolarHBondContact O-NE2 3.18Å; P27-Q72 HydrophobicContact CG-CB 4.48Å; P27-Q72 HydrophobicContact CG-CG 4.32Å; Q72-V74 HydrophobicContact CG-CG1 4.21Å; Q72-I77 WeakPolarHBondContact O-CA 3.05Å; Q72-F78 HydrophobicContact CB-CB 4.44Å; Q72-F78 PolarHBondContact N-O 3.47Å; Q72-F78 PolarHBondContact O-N 2.64Å
73	V	96	Very high	96.6	Very high	106 Å²	106	42.6 Å²	42.6	64%	0.642	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78	126.3	170.2	178.6	0	0	0	0	108.6
74	V	94.6	Very high	96.6	Very high	65 Å²	65	44.6 Å²	44.6	39%	0.394	23%	0.231	S	C	.	.	S	Bend	trans	-135	-147.8	177.2	-63.8	0	0	0	0	107.9	Q72 G76 F78	Q72-V74 HydrophobicContact CG-CG1 4.21Å; V74-G76 PolarHBondContact N-O 3.19Å; V74-G76 PolarHBondContact O-N 2.81Å; V74-F78 HydrophobicContact CG1-CB 4.26Å; V74-F78 HydrophobicContact CG2-CB 3.93Å
75	Q	94.6	Very high	96.8	Very high	129 Å²	129	42.5 Å²	42.5	60%	0.603	22%	0.218	S	C	*	.	S	Bend	trans	-69.8	65	156.8	-172.4	-168.8	48.1	0	0	109.3	W125 R127 W129	Q75-W125 HydrophobicContact CB-CZ2 4.19Å; Q75-W125 WeakPolarHBondContact O-CZ2 3.46Å; Q75-W125 PolarHBondContact O-NE1 2.8Å; Q75-R127 VanDerWaalsContact O-CD 3.3Å; Q75-R127 WeakPolarHBondContact O-CD 3.06Å; Q75-R127 WeakPolarHBondContact O-CG 3.49Å; Q75-W129 HydrophobicContact CG-CZ2 4.07Å
76	G	96.3	Very high	96.8	Very high	5 Å²	5	37 Å²	37	5%	0.052	20%	0.195	C	C	.	.	S	Bend	trans	131.2	-156.3	-172.4	0	0	0	0	0	111	V74 D126 W129	V74-G76 PolarHBondContact N-O 3.19Å; V74-G76 PolarHBondContact O-N 2.81Å; G76-D126 CarbonylContact C-O 3.47Å; G76-D126 WeakPolarHBondContact CA-O 3.45Å; G76-W129 VanDerWaalsContact N-CH2 3.29Å
77	I	97	Very high	96.6	Very high	58 Å²	58	36.9 Å²	36.9	30%	0.297	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.1	168.1	-50.5	176.3	0	0	0	108.2	Q72 Y79 D126	Q72-I77 WeakPolarHBondContact O-CA 3.05Å; I77-Y79 HydrophobicContact CB-CE2 3.88Å; I77-Y79 HydrophobicContact CG2-CD1 4.31Å; I77-Y79 HydrophobicContact CG2-CD2 4.08Å; I77-Y79 HydrophobicContact CG2-CE1 3.73Å; I77-Y79 HydrophobicContact CG2-CE2 3.52Å; I77-Y79 HydrophobicContact CG2-CG 4.47Å; I77-D126 PolarHBondContact N-O 3.29Å; I77-D126 PolarHBondContact O-N 3Å
78	F	97.9	Very high	96.4	Very high	61 Å²	61	34.1 Å²	34.1	27%	0.268	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.1	174.7	-162.5	-96.6	0	0	0	109.3	S71 Q72 V74 T123 L124 W125	S71-F78 CarbonylContact C-O 3.51Å; S71-F78 WeakPolarHBondContact CA-O 3.38Å; Q72-F78 HydrophobicContact CB-CB 4.44Å; Q72-F78 PolarHBondContact N-O 3.47Å; Q72-F78 PolarHBondContact O-N 2.64Å; V74-F78 HydrophobicContact CG1-CB 4.26Å; V74-F78 HydrophobicContact CG2-CB 3.93Å; F78-T123 HydrophobicContact CE1-CG2 3.67Å; F78-T123 VanDerWaalsContact CZ-CB 3.45Å; F78-T123 HydrophobicContact CZ-CG2 3.47Å; F78-T123 VanDerWaalsContact CZ-CG2 3.47Å; F78-L124 CarbonylContact C-O 3.6Å; F78-L124 WeakPolarHBondContact CA-O 3.49Å; F78-W125 HydrophobicContact CD2-CB 3.88Å; F78-W125 HydrophobicContact CD2-CG 4.07Å; F78-W125 HydrophobicContact CE2-CB 4.2Å
79	Y	98.5	Very high	96.1	Very high	13 Å²	13	35.6 Å²	35.6	5%	0.051	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.2	172.9	-56.9	-82.9	0	0	0	110.2	L30 F40 T70 I77 F81 T123 L124 D126	L30-Y79 HydrophobicContact CD1-CD1 4.35Å; L30-Y79 HydrophobicContact CD1-CE1 4.22Å; F40-Y79 HydrophobicContact CE1-CD1 4.1Å; F40-Y79 HydrophobicContact CE1-CD2 4.2Å; F40-Y79 HydrophobicContact CE1-CE1 4.05Å; F40-Y79 HydrophobicContact CE1-CE2 4.1Å; F40-Y79 HydrophobicContact CE1-CG 4.18Å; F40-Y79 AromaticContact CZ-CD1 3.67Å; F40-Y79 HydrophobicContact CZ-CD1 3.67Å; F40-Y79 AromaticContact CZ-CE1 3.55Å; F40-Y79 HydrophobicContact CZ-CE1 3.55Å; F40-Y79 HydrophobicContact CZ-CE2 4.44Å; F40-Y79 HydrophobicContact CZ-CG 4.19Å; F40-Y79 AromaticContact CZ-CZ 3.94Å; T70-Y79 CarbonylContact O-C 3.53Å; T70-Y79 WeakPolarHBondContact O-CA 3.08Å; I77-Y79 HydrophobicContact CB-CE2 3.88Å; I77-Y79 HydrophobicContact CG2-CD1 4.31Å; I77-Y79 HydrophobicContact CG2-CD2 4.08Å; I77-Y79 HydrophobicContact CG2-CE1 3.73Å; I77-Y79 HydrophobicContact CG2-CE2 3.52Å; I77-Y79 HydrophobicContact CG2-CG 4.47Å; Y79-F81 HydrophobicContact CG-CZ 4.3Å; Y79-T123 WeakPolarHBondContact O-CA 3.38Å; Y79-L124 HydrophobicContact CD2-CB 4.43Å; Y79-L124 HydrophobicContact CD2-CD2 3.78Å; Y79-L124 HydrophobicContact CD2-CG 4.08Å; Y79-L124 HydrophobicContact CE2-CD2 4.41Å; Y79-L124 PolarHBondContact N-O 2.86Å; Y79-L124 PolarHBondContact O-N 2.74Å; Y79-D126 HydrophobicContact CE2-CB 4.26Å
80	T	98.5	Very high	95.7	Very high	16 Å²	16	35.9 Å²	35.9	10%	0.098	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117	169	-58.9	0	0	0	0	108.9	V69 T70 F82 K121 V122	V69-T80 CarbonylContact C-O 3.56Å; V69-T80 WeakPolarHBondContact CA-O 3.33Å; T70-T80 PolarHBondContact N-O 3.34Å; T70-T80 PolarHBondContact O-N 3.03Å; T70-T80 WeakPolarHBondContact OG1-CB 3.41Å; T80-F82 HydrophobicContact CG2-CD2 4.47Å; T80-F82 HydrophobicContact CG2-CE2 3.96Å; T80-F82 HydrophobicContact CG2-CZ 4.49Å; T80-K121 HydrophobicContact CG2-CD 4.35Å; T80-K121 HydrophobicContact CG2-CG 3.92Å; T80-V122 CarbonylContact C-O 3.57Å; T80-V122 WeakPolarHBondContact CA-O 3.47Å
81	F	98.4	Very high	95.2	Very high	5 Å²	5	36.6 Å²	36.6	2%	0.022	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	142.3	174.5	-48.6	-97.6	0	0	0	109.4	F40 L66 N68 V69 Y79 V83 K121 V122 L124	F40-F81 HydrophobicContact CB-CE1 4.18Å; F40-F81 AromaticContact CD1-CE1 3.95Å; F40-F81 HydrophobicContact CD1-CE1 3.95Å; F40-F81 AromaticContact CD1-CZ 3.72Å; F40-F81 HydrophobicContact CD1-CZ 3.72Å; F40-F81 AromaticContact CD2-CE1 3.79Å; F40-F81 HydrophobicContact CD2-CE1 3.79Å; F40-F81 HydrophobicContact CD2-CZ 4.36Å; F40-F81 HydrophobicContact CE1-CE1 4.25Å; F40-F81 AromaticContact CE1-CZ 3.89Å; F40-F81 HydrophobicContact CE1-CZ 3.89Å; F40-F81 HydrophobicContact CE2-CE1 4.11Å; F40-F81 AromaticContact CG-CE1 3.71Å; F40-F81 HydrophobicContact CG-CE1 3.71Å; F40-F81 AromaticContact CG-CZ 3.98Å; F40-F81 HydrophobicContact CG-CZ 3.98Å; F40-F81 HydrophobicContact CZ-CE1 4.33Å; F40-F81 HydrophobicContact CZ-CZ 4.29Å; L66-F81 HydrophobicContact CD1-CB 4.07Å; L66-F81 HydrophobicContact CD1-CD1 3.95Å; L66-F81 HydrophobicContact CD1-CG 4.5Å; N68-F81 CarbonylContact O-C 3.59Å; N68-F81 WeakPolarHBondContact O-CA 3.47Å; V69-F81 HydrophobicContact CB-CD1 4.29Å; V69-F81 HydrophobicContact CG1-CD1 3.89Å; V69-F81 HydrophobicContact CG1-CE1 3.79Å; V69-F81 HydrophobicContact CG2-CD1 3.41Å; V69-F81 VanDerWaalsContact CG2-CD1 3.41Å; V69-F81 HydrophobicContact CG2-CE1 3.91Å; V69-F81 HydrophobicContact CG2-CG 4.33Å; Y79-F81 HydrophobicContact CG-CZ 4.3Å; F81-V83 HydrophobicContact CB-CG2 3.66Å; F81-K121 WeakPolarHBondContact O-CA 3.38Å; F81-V122 HydrophobicContact CB-CB 4.26Å; F81-V122 PolarHBondContact N-O 3.29Å; F81-V122 PolarHBondContact O-N 2.93Å; F81-L124 HydrophobicContact CE2-CB 3.68Å; F81-L124 HydrophobicContact CE2-CD2 4.19Å; F81-L124 HydrophobicContact CZ-CB 4.48Å; F81-L124 HydrophobicContact CZ-CD2 4.19Å
82	F	98	Very high	94.3	Very high	58 Å²	58	38.5 Å²	38.5	25%	0.254	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.5	160.6	-70.9	-92.5	0	0	0	107	V67 N68 T80 I119 C120 K121	V67-F82 WeakPolarHBondContact CA-O 3.36Å; V67-F82 HydrophobicContact CB-CB 4.01Å; V67-F82 WeakPolarHBondContact CB-O 3.28Å; V67-F82 PolarHBondContact N-O 3.06Å; N68-F82 HydrophobicContact CB-CB 4.27Å; N68-F82 HydrophobicContact CB-CD2 4.07Å; N68-F82 PolarHBondContact N-O 3.03Å; N68-F82 PolarHBondContact O-N 3.15Å; T80-F82 HydrophobicContact CG2-CD2 4.47Å; T80-F82 HydrophobicContact CG2-CE2 3.96Å; T80-F82 HydrophobicContact CG2-CZ 4.49Å; F82-I119 HydrophobicContact CB-CG2 4.35Å; F82-I119 HydrophobicContact CD1-CG2 4.38Å; F82-C120 WeakPolarHBondContact CA-O 3.3Å; F82-K121 HydrophobicContact CD1-CB 4.41Å; F82-K121 HydrophobicContact CE1-CB 4.05Å; F82-K121 HydrophobicContact CE1-CG 4.3Å; F82-K121 HydrophobicContact CZ-CD 4.47Å; F82-K121 HydrophobicContact CZ-CG 4.33Å
83	V	97.4	Very high	93.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.7	-169.6	-173.5	0	0	0	0	108.8	L44 I63 L66 F81 F85 I119 C120 V122	L44-V83 HydrophobicContact CD2-CG2 4.33Å; I63-V83 HydrophobicContact CB-CG1 4.13Å; I63-V83 HydrophobicContact CD1-CG1 3.86Å; I63-V83 HydrophobicContact CG1-CG1 3.66Å; I63-V83 HydrophobicContact CG2-CG1 3.49Å; I63-V83 VanDerWaalsContact CG2-CG1 3.49Å; L66-V83 HydrophobicContact CD1-CG2 3.96Å; F81-V83 HydrophobicContact CB-CG2 3.66Å; V83-F85 HydrophobicContact CB-CD2 4.5Å; V83-F85 HydrophobicContact CB-CE2 3.81Å; V83-F85 HydrophobicContact CB-CZ 4.21Å; V83-F85 HydrophobicContact CG1-CD2 4.32Å; V83-F85 HydrophobicContact CG1-CE1 4.4Å; V83-F85 HydrophobicContact CG1-CE2 3.78Å; V83-F85 HydrophobicContact CG1-CZ 3.85Å; V83-I119 CarbonylContact O-C 3.52Å; V83-I119 WeakPolarHBondContact O-CA 3.29Å; V83-C120 PolarHBondContact N-O 3.2Å; V83-C120 PolarHBondContact O-N 3.36Å; V83-V122 HydrophobicContact CG2-CG2 4.15Å
84	K	96.1	Very high	92.1	Very high	47 Å²	47	38.8 Å²	38.8	20%	0.204	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.1	172.1	-177.2	177.1	170.6	155.5	0	109.4	I63 T64 K65 V67 S86 K118 I119 D146	I63-K84 WeakPolarHBondContact CA-O 3.32Å; T64-K84 PolarHBondContact N-O 3.46Å; K65-K84 HydrophobicContact CB-CB 3.89Å; K65-K84 HydrophobicContact CB-CD 4.37Å; K65-K84 PolarHBondContact O-N 2.86Å; V67-K84 HydrophobicContact CG2-CB 4.33Å; K84-S86 WeakPolarHBondContact CE-OG 3.28Å; K84-K118 CarbonylContact C-O 3.58Å; K84-K118 WeakPolarHBondContact CA-O 3.47Å; K84-I119 HydrophobicContact CB-CG1 4.3Å; K84-I119 HydrophobicContact CG-CG1 4.5Å; K84-D146 VanDerWaalsContact CD-OD2 3.31Å; K84-D146 WeakPolarHBondContact CD-OD2 3.21Å; K84-D146 WeakPolarHBondContact CE-OD2 3.16Å; K84-D146 IonicContact NZ-OD2 2.65Å; K84-D146 PolarHBondContact NZ-OD2 2.72Å
85	F	95.3	Very high	91.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.6	170.9	-64	-89	0	0	0	108.8	V47 F51 H61 V62 I63 V83 S117 K118 C120	V47-F85 HydrophobicContact CG1-CE1 4.33Å; V47-F85 HydrophobicContact CG1-CZ 3.66Å; F51-F85 HydrophobicContact CB-CD1 3.93Å; F51-F85 HydrophobicContact CB-CE1 3.47Å; F51-F85 VanDerWaalsContact CB-CE1 3.47Å; F51-F85 HydrophobicContact CB-CE2 4.5Å; F51-F85 HydrophobicContact CB-CZ 3.77Å; F51-F85 HydrophobicContact CD1-CB 4.33Å; F51-F85 AromaticContact CD1-CD1 3.71Å; F51-F85 HydrophobicContact CD1-CD1 3.71Å; F51-F85 HydrophobicContact CD1-CE1 4.17Å; F51-F85 HydrophobicContact CD1-CG 4.01Å; F51-F85 AromaticContact CD2-CD1 3.98Å; F51-F85 HydrophobicContact CD2-CD1 3.98Å; F51-F85 AromaticContact CD2-CD2 3.72Å; F51-F85 HydrophobicContact CD2-CD2 3.72Å; F51-F85 HydrophobicContact CD2-CE1 4.05Å; F51-F85 AromaticContact CD2-CE2 3.8Å; F51-F85 HydrophobicContact CD2-CE2 3.8Å; F51-F85 AromaticContact CD2-CG 3.8Å; F51-F85 HydrophobicContact CD2-CG 3.8Å; F51-F85 AromaticContact CD2-CZ 3.94Å; F51-F85 HydrophobicContact CD2-CZ 3.94Å; F51-F85 HydrophobicContact CE1-CB 4Å; F51-F85 HydrophobicContact CE1-CD1 4.25Å; F51-F85 HydrophobicContact CE1-CG 4.14Å; F51-F85 HydrophobicContact CE2-CB 4.18Å; F51-F85 HydrophobicContact CE2-CD1 4.47Å; F51-F85 AromaticContact CE2-CD2 3.86Å; F51-F85 HydrophobicContact CE2-CD2 3.86Å; F51-F85 HydrophobicContact CE2-CE2 4.36Å; F51-F85 AromaticContact CE2-CG 3.91Å; F51-F85 HydrophobicContact CE2-CG 3.91Å; F51-F85 AromaticContact CG-CD1 3.57Å; F51-F85 HydrophobicContact CG-CD1 3.57Å; F51-F85 HydrophobicContact CG-CD2 4.19Å; F51-F85 AromaticContact CG-CE1 3.61Å; F51-F85 HydrophobicContact CG-CE1 3.61Å; F51-F85 HydrophobicContact CG-CE2 4.23Å; F51-F85 AromaticContact CG-CG 3.85Å; F51-F85 HydrophobicContact CG-CG 3.85Å; F51-F85 AromaticContact CG-CZ 3.93Å; F51-F85 HydrophobicContact CG-CZ 3.93Å; F51-F85 HydrophobicContact CZ-CB 3.9Å; F51-F85 HydrophobicContact CZ-CD2 4.44Å; F51-F85 HydrophobicContact CZ-CG 4.07Å; H61-F85 HydrophobicContact CB-CB 4.29Å; V62-F85 WeakPolarHBondContact O-CA 3.49Å; I63-F85 HydrophobicContact CD1-CE1 4.19Å; I63-F85 HydrophobicContact CG1-CD1 3.99Å; I63-F85 HydrophobicContact CG1-CE1 3.58Å; I63-F85 HydrophobicContact CG1-CZ 4.2Å; V83-F85 HydrophobicContact CB-CD2 4.5Å; V83-F85 HydrophobicContact CB-CE2 3.81Å; V83-F85 HydrophobicContact CB-CZ 4.21Å; V83-F85 HydrophobicContact CG1-CD2 4.32Å; V83-F85 HydrophobicContact CG1-CE1 4.4Å; V83-F85 HydrophobicContact CG1-CE2 3.78Å; V83-F85 HydrophobicContact CG1-CZ 3.85Å; F85-S117 CarbonylContact O-C 3.59Å; F85-S117 VanDerWaalsContact O-CA 3.24Å; F85-S117 WeakPolarHBondContact O-CA 3.41Å; F85-S117 WeakPolarHBondContact O-CB 3.48Å; F85-K118 PolarHBondContact N-O 3.35Å; F85-K118 PolarHBondContact O-N 3.07Å; F85-C120 HydrophobicContact CD2-CB 4.23Å; F85-C120 HydrophobicContact CE2-CB 3.86Å
86	S	93.6	Very high	90.4	Very high	8 Å²	8	39.3 Å²	39.3	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.8	176.6	-60.4	0	0	0	0	110.3	H61 V62 T64 K84 S117	H61-S86 VanDerWaalsContact CA-O 3.3Å; H61-S86 WeakPolarHBondContact CA-O 3.37Å; V62-S86 PolarHBondContact N-O 2.96Å; V62-S86 PolarHBondContact O-N 2.76Å; T64-S86 VanDerWaalsContact CG2-CB 3.5Å; T64-S86 WeakPolarHBondContact CG2-OG 3.42Å; T64-S86 PolarHBondContact OG1-OG 3.33Å; K84-S86 WeakPolarHBondContact CE-OG 3.28Å; S86-S117 WeakPolarHBondContact CB-OG 3.32Å; S86-S117 PolarHBondContact OG-OG 3.12Å
87	P	92.8	Very high	89.8	Confident	6 Å²	6	42.6 Å²	42.6	4%	0.039	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	147.3	179.3	27.5	-32	0	0	0	111.4	T113 G115	P87-T113 WeakPolarHBondContact CB-OG1 3.44Å; P87-T113 WeakPolarHBondContact CG-OG1 3.26Å; P87-T113 PolarHBondContact O-N 2.96Å; P87-T113 PolarHBondContact O-OG1 2.74Å; P87-T113 VanDerWaalsContact O-OG1 3.07Å; P87-G115 VanDerWaalsContact CG-C 3.44Å; P87-G115 WeakPolarHBondContact CG-O 3.45Å
88	T	92.2	Very high	89.3	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	169.6	176	68.2	0	0	0	0	111.6	L60 V62 C90 C110 D111 L112	L60-T88 WeakPolarHBondContact O-CB 3.27Å; L60-T88 PolarHBondContact O-N 2.83Å; L60-T88 PolarHBondContact O-OG1 2.91Å; V62-T88 HydrophobicContact CB-CG2 4.31Å; V62-T88 HydrophobicContact CG1-CG2 3.76Å; V62-T88 HydrophobicContact CG2-CG2 3.68Å; T88-C90 PolarHBondContact O-N 3.02Å; T88-C90 WeakPolarHBondContact OG1-CB 3.19Å; T88-C90 PolarHBondContact OG1-N 3.07Å; T88-C110 HydrophobicContact CG2-CB 4.16Å; T88-D111 CarbonylContact C-O 3.43Å; T88-D111 WeakPolarHBondContact CA-O 3.25Å; T88-D111 VanDerWaalsContact CB-O 3.26Å; T88-D111 WeakPolarHBondContact CB-O 3.42Å; T88-L112 HydrophobicContact CG2-CD2 4.19Å
89	S	90.3	Very high	88.7	Confident	67 Å²	67	44 Å²	44	47%	0.469	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	-15.6	171.2	59.1	0	0	0	0	112.9	D111	S89-D111 PolarHBondContact N-O 2.8Å; S89-D111 PolarHBondContact OG-N 3.31Å; S89-D111 PolarHBondContact OG-O 2.65Å
90	C	89.9	Confident	88.1	Confident	5 Å²	5	43.6 Å²	43.6	3%	0.034	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	142.5	176.2	-69.9	0	0	0	0	111.4	L60 T88 N96 S109 C110	L60-C90 HydrophobicContact CB-CB 4.07Å; L60-C90 WeakPolarHBondContact CB-O 3.44Å; L60-C90 HydrophobicContact CD2-CB 4.2Å; L60-C90 PolarHBondContact N-O 3.49Å; T88-C90 PolarHBondContact O-N 3.02Å; T88-C90 WeakPolarHBondContact OG1-CB 3.19Å; T88-C90 PolarHBondContact OG1-N 3.07Å; C90-N96 HydrophobicContact CB-CB 4.17Å; C90-N96 PolarHBondContact SG-ND2 3.13Å; C90-S109 PolarHBondContact SG-O 3.15Å; C90-S109 VanDerWaalsContact SG-O 3.39Å; C90-C110 HydrophobicContact CB-CB 3.92Å; C90-C110 WeakPolarHBondContact CB-SG 3.48Å; C90-C110 VanDerWaalsContact SG-CA 3.51Å; C90-C110 WeakPolarHBondContact SG-CB 3.17Å; C90-C110 CovalentContact SG-SG 2.02Å; C90-C110 PolarHBondContact SG-SG 3.43Å
91	T	86.9	Confident	87.6	Confident	41 Å²	41	46.8 Å²	46.8	25%	0.252	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	158.4	172.3	72.2	0	0	0	0	110.3	S58 A93 N94	S58-T91 CarbonylContact O-C 3.56Å; S58-T91 WeakPolarHBondContact O-CA 3.45Å; S58-T91 WeakPolarHBondContact O-CB 3.38Å; T91-A93 PolarHBondContact O-N 2.97Å; T91-A93 PolarHBondContact OG1-N 2.77Å; T91-N94 PolarHBondContact O-N 3.07Å; T91-N94 PolarHBondContact OG1-N 3.25Å; T91-N94 PolarHBondContact OG1-ND2 3.44Å; T91-N94 PolarHBondContact OG1-OD1 2.79Å; T91-N94 VanDerWaalsContact OG1-OD1 3.08Å
92	T	77.9	Confident	86.8	Confident	60 Å²	60	50 Å²	50	37%	0.368	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.3	171.5	49.3	0	0	0	0	113.4	S58 L60	S58-T92 PolarHBondContact O-N 2.98Å; S58-T92 PolarHBondContact O-OG1 2.82Å; L60-T92 HydrophobicContact CD1-CG2 4.43Å
93	A	76.2	Confident	85.7	Confident	79 Å²	79	51.3 Å²	51.3	65%	0.653	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-22.9	179.4	0	0	0	0	0	114.1	T91 N95	T91-A93 PolarHBondContact O-N 2.97Å; T91-A93 PolarHBondContact OG1-N 2.77Å; A93-N95 PolarHBondContact O-N 2.89Å; A93-N95 VanDerWaalsContact O-N 3.08Å
94	N	72.3	Confident	84.7	Confident	92 Å²	92	54.7 Å²	54.7	49%	0.492	30%	0.3	S	S	.	.	S	Bend	trans	-80.9	17.3	-168.1	-70	-6.6	0	0	0	114.6	T91 N96	T91-N94 PolarHBondContact O-N 3.07Å; T91-N94 PolarHBondContact OG1-N 3.25Å; T91-N94 PolarHBondContact OG1-ND2 3.44Å; T91-N94 PolarHBondContact OG1-OD1 2.79Å; T91-N94 VanDerWaalsContact OG1-OD1 3.08Å; N94-N96 PolarHBondContact O-N 3.11Å; N94-N96 PolarHBondContact O-OD1 2.83Å
95	N	72.5	Confident	83.3	Confident	147 Å²	147	53.6 Å²	53.6	79%	0.786	30%	0.298	S	S	*	.	S	Bend	trans	56.2	6.4	-171.8	-62.2	-31.7	0	0	0	115.5	A93 I97	A93-N95 PolarHBondContact O-N 2.89Å; A93-N95 VanDerWaalsContact O-N 3.08Å; N95-I97 PolarHBondContact O-N 3.23Å
96	N	80.4	Confident	81.9	Confident	57 Å²	57	58.9 Å²	58.9	31%	0.305	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-76	15.8	178.7	-67.6	-18.5	0	0	0	113.4	C90 N94 H98 V99	C90-N96 HydrophobicContact CB-CB 4.17Å; C90-N96 PolarHBondContact SG-ND2 3.13Å; N94-N96 PolarHBondContact O-N 3.11Å; N94-N96 PolarHBondContact O-OD1 2.83Å; N96-H98 PolarHBondContact O-N 2.89Å; N96-V99 HydrophobicContact CB-CG2 4.49Å; N96-V99 WeakPolarHBondContact O-CB 3.24Å; N96-V99 VanDerWaalsContact O-CG2 3.32Å; N96-V99 WeakPolarHBondContact O-CG2 3.36Å; N96-V99 PolarHBondContact O-N 3.04Å; N96-V99 VanDerWaalsContact O-N 3.13Å
97	I	84.2	Confident	80.5	Confident	75 Å²	75	66.5 Å²	66.5	39%	0.385	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-61	-29.3	-179.6	-68.5	173.2	0	0	0	111.3	H49 N95 V99 L100	H49-I97 VanDerWaalsContact CE1-CG2 3.49Å; H49-I97 WeakPolarHBondContact CE1-CG2 3.2Å; N95-I97 PolarHBondContact O-N 3.23Å; I97-V99 PolarHBondContact O-N 3.02Å; I97-L100 WeakPolarHBondContact O-CB 3.38Å; I97-L100 WeakPolarHBondContact O-CG 3.43Å; I97-L100 PolarHBondContact O-N 3.4Å
98	H	85.5	Confident	79.2	Confident	135 Å²	135	72.9 Å²	72.9	63%	0.625	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-56.2	-24.5	176.1	177.5	-85.6	0	0	0	113.5	N96 L100 D101	N96-H98 PolarHBondContact O-N 2.89Å; H98-L100 PolarHBondContact O-N 3.49Å; H98-L100 VanDerWaalsContact O-N 3.12Å; H98-D101 WeakPolarHBondContact CA-OD2 3.35Å; H98-D101 IonicContact CD2-OD2 3.25Å; H98-D101 PolarHBondContact CD2-OD2 3.47Å; H98-D101 VanDerWaalsContact CD2-OD2 3.25Å; H98-D101 IonicContact CG-OD2 3.72Å; H98-D101 WeakPolarHBondContact O-CB 3.24Å; H98-D101 PolarHBondContact O-N 3.23Å
99	V	85.8	Confident	78.3	Confident	12 Å²	12	76 Å²	76	7%	0.073	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-60.4	-23.7	175.9	178.8	0	0	0	0	111.9	L60 V62 N96 I97 D101 P105 S109 C110	L60-V99 HydrophobicContact CD2-CB 4.27Å; V62-V99 HydrophobicContact CG1-CG1 4.19Å; N96-V99 HydrophobicContact CB-CG2 4.49Å; N96-V99 WeakPolarHBondContact O-CB 3.24Å; N96-V99 VanDerWaalsContact O-CG2 3.32Å; N96-V99 WeakPolarHBondContact O-CG2 3.36Å; N96-V99 PolarHBondContact O-N 3.04Å; N96-V99 VanDerWaalsContact O-N 3.13Å; I97-V99 PolarHBondContact O-N 3.02Å; V99-D101 VanDerWaalsContact C-N 3.35Å; V99-P105 HydrophobicContact CG1-CB 3.52Å; V99-P105 HydrophobicContact CG1-CG 3.73Å; V99-S109 VanDerWaalsContact CG2-OG 3.28Å; V99-S109 WeakPolarHBondContact CG2-OG 3.31Å; V99-C110 HydrophobicContact CG1-CB 4.46Å
100	L	86.9	Confident	78	Confident	5 Å²	5	73.2 Å²	73.2	3%	0.026	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-79.1	-13.7	176	-55.4	-174.3	0	0	0	114	A45 A48 N52 L60 V62 I97 H98 T102	A45-L100 WeakPolarHBondContact CA-O 3.41Å; A45-L100 WeakPolarHBondContact CB-O 3.5Å; A48-L100 HydrophobicContact CB-CB 4.27Å; A48-L100 HydrophobicContact CB-CD2 4.16Å; N52-L100 HydrophobicContact CB-CD1 4.13Å; N52-L100 WeakPolarHBondContact ND2-CD1 3.33Å; L60-L100 HydrophobicContact CD1-CD1 3.7Å; L60-L100 HydrophobicContact CD1-CD2 3.95Å; L60-L100 HydrophobicContact CD1-CG 3.9Å; L60-L100 HydrophobicContact CD2-CD2 4.03Å; L60-L100 HydrophobicContact CD2-CG 4.27Å; L60-L100 HydrophobicContact CG-CD2 3.9Å; L60-L100 HydrophobicContact CG-CG 4.31Å; V62-L100 HydrophobicContact CG1-CD2 4.13Å; I97-L100 WeakPolarHBondContact O-CB 3.38Å; I97-L100 WeakPolarHBondContact O-CG 3.43Å; I97-L100 PolarHBondContact O-N 3.4Å; H98-L100 PolarHBondContact O-N 3.49Å; H98-L100 VanDerWaalsContact O-N 3.12Å; L100-T102 PolarHBondContact O-N 2.98Å
101	D	86.5	Confident	78	Confident	83 Å²	83	78 Å²	78	44%	0.444	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-72.2	-17.9	-178.3	-64.2	-27.3	0	0	0	112.2	A45 H49 H98 V99	A45-D101 WeakPolarHBondContact CB-O 3.44Å; H49-D101 IonicContact CD2-OD1 3.83Å; H49-D101 IonicContact CE1-OD1 3.55Å; H49-D101 IonicContact NE2-OD1 2.74Å; H49-D101 PolarHBondContact NE2-OD1 3.47Å; H98-D101 WeakPolarHBondContact CA-OD2 3.35Å; H98-D101 IonicContact CD2-OD2 3.25Å; H98-D101 PolarHBondContact CD2-OD2 3.47Å; H98-D101 VanDerWaalsContact CD2-OD2 3.25Å; H98-D101 IonicContact CG-OD2 3.72Å; H98-D101 WeakPolarHBondContact O-CB 3.24Å; H98-D101 PolarHBondContact O-N 3.23Å; V99-D101 VanDerWaalsContact C-N 3.35Å
102	T	81.4	Confident	78.1	Confident	73 Å²	73	79.2 Å²	79.2	45%	0.448	42%	0.42	S	S	.	.	S	Bend	trans	-109.4	136	173.3	57.6	0	0	0	0	111	L100	L100-T102 PolarHBondContact O-N 2.98Å
103	Y	75.9	Confident	78.7	Confident	86 Å²	86	78.9 Å²	78.9	34%	0.337	42%	0.418	S	S	.	.	S	Bend	trans	-74	139.7	169	67.6	-88.4	0	0	0	109.5	I37	I37-Y103 HydrophobicContact CG2-CD2 3.55Å; I37-Y103 HydrophobicContact CG2-CE2 3.32Å
104	F	76.4	Confident	79.2	Confident	70 Å²	70	83.7 Å²	83.7	31%	0.307	43%	0.433	S	S	.	.	S	Bend	trans	48.6	65.3	-172.7	-58	-55.5	0	0	0	112.7	I37 I63 T64 L66	I37-F104 HydrophobicContact CD1-CE2 4.22Å; I37-F104 HydrophobicContact CG2-CD2 4.04Å; I37-F104 HydrophobicContact CG2-CE2 3.66Å; I63-F104 HydrophobicContact CG2-CD1 4.35Å; I63-F104 HydrophobicContact CG2-CE1 3.72Å; I63-F104 HydrophobicContact CG2-CZ 4.19Å; I63-F104 WeakPolarHBondContact O-CD1 3.34Å; T64-F104 WeakPolarHBondContact O-CE1 3.31Å; L66-F104 HydrophobicContact CB-CZ 4.14Å
105	P	66.6	Low	79.9	Confident	24 Å²	24	81 Å²	81	16%	0.156	43%	0.426	C	S	.	.			trans	-56	144.8	-175	22.9	-32.7	0	0	0	111.6	V62 V99 R107	V62-P105 HydrophobicContact CB-CG 3.84Å; V62-P105 HydrophobicContact CG1-CG 3.77Å; V62-P105 HydrophobicContact CG2-CG 4.29Å; V99-P105 HydrophobicContact CG1-CB 3.52Å; V99-P105 HydrophobicContact CG1-CG 3.73Å; P105-R107 PolarHBondContact O-N 2.81Å
106	N	65.4	Low	80.8	Confident	112 Å²	112	79.5 Å²	79.5	60%	0.599	41%	0.414	S	S	*	.			trans	-61.3	135.6	170.1	-168.8	8.9	0	0	0	109	D108	N106-D108 PolarHBondContact ND2-OD2 2.87Å; N106-D108 PolarHBondContact O-N 2.8Å
107	R	64.7	Low	81.4	Confident	167 Å²	167	77.8 Å²	77.8	63%	0.63	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-9.5	-168.3	-64.5	-171.5	-176.3	-170.2	1.1	113.7	P105 S109 C110	P105-R107 PolarHBondContact O-N 2.81Å; R107-S109 PolarHBondContact O-N 2.83Å; R107-C110 PolarHBondContact O-N 3.14Å
108	D	65.2	Low	82	Confident	140 Å²	140	76.8 Å²	76.8	75%	0.749	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.6	-172.1	-57.2	-20	0	0	0	115.3	N106	N106-D108 PolarHBondContact ND2-OD2 2.87Å; N106-D108 PolarHBondContact O-N 2.8Å
109	S	73.4	Confident	82.6	Confident	66 Å²	66	72.4 Å²	72.4	46%	0.462	38%	0.381	S	S	.	.	S	Bend	trans	-112.5	-25.5	-177.1	58	0	0	0	0	115.1	C90 V99 R107	C90-S109 PolarHBondContact SG-O 3.15Å; C90-S109 VanDerWaalsContact SG-O 3.39Å; V99-S109 VanDerWaalsContact CG2-OG 3.28Å; V99-S109 WeakPolarHBondContact CG2-OG 3.31Å; R107-S109 PolarHBondContact O-N 2.83Å
110	C	85.1	Confident	83.2	Confident	8 Å²	8	71.9 Å²	71.9	5%	0.054	38%	0.377	C	S	.	.	S	Bend	trans	-148.4	106.6	-176	-65.6	0	0	0	0	109.3	T88 C90 V99 R107	T88-C110 HydrophobicContact CG2-CB 4.16Å; C90-C110 HydrophobicContact CB-CB 3.92Å; C90-C110 WeakPolarHBondContact CB-SG 3.48Å; C90-C110 VanDerWaalsContact SG-CA 3.51Å; C90-C110 WeakPolarHBondContact SG-CB 3.17Å; C90-C110 CovalentContact SG-SG 2.02Å; C90-C110 PolarHBondContact SG-SG 3.43Å; V99-C110 HydrophobicContact CG1-CB 4.46Å; R107-C110 PolarHBondContact O-N 3.14Å
111	D	88.5	Confident	83.7	Confident	107 Å²	107	74.9 Å²	74.9	57%	0.572	39%	0.39	S	S	*	.			trans	-67.6	143.2	175	-69.3	-42.3	0	0	0	110.8	T88 S89	T88-D111 CarbonylContact C-O 3.43Å; T88-D111 WeakPolarHBondContact CA-O 3.25Å; T88-D111 VanDerWaalsContact CB-O 3.26Å; T88-D111 WeakPolarHBondContact CB-O 3.42Å; S89-D111 PolarHBondContact N-O 2.8Å; S89-D111 PolarHBondContact OG-N 3.31Å; S89-D111 PolarHBondContact OG-O 2.65Å
112	L	90.3	Very high	84.3	Confident	65 Å²	65	71 Å²	71	34%	0.34	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-68.2	141.1	167.7	-64.7	176.2	0	0	0	109.2	V62 T64 T88	V62-L112 HydrophobicContact CG2-CD2 3.78Å; T64-L112 HydrophobicContact CG2-CD1 4Å; T64-L112 HydrophobicContact CG2-CD2 3.65Å; T88-L112 HydrophobicContact CG2-CD2 4.19Å
113	T	90.6	Very high	85.1	Confident	54 Å²	54	68 Å²	68	33%	0.331	35%	0.351	S	S	.	.			trans	-105.4	158.7	173.8	58.6	0	0	0	0	109.9	P87 G115	P87-T113 WeakPolarHBondContact CB-OG1 3.44Å; P87-T113 WeakPolarHBondContact CG-OG1 3.26Å; P87-T113 PolarHBondContact O-N 2.96Å; P87-T113 PolarHBondContact O-OG1 2.74Å; P87-T113 VanDerWaalsContact O-OG1 3.07Å; T113-G115 PolarHBondContact O-N 3.25Å
114	D	86.4	Confident	86.2	Confident	180 Å²	180	64 Å²	64	96%	0.963	34%	0.336	S	S	*	.	S	Bend	trans	-72.7	14.1	174.6	-66.6	-22.4	0	0	0	113.3
115	G	86.5	Confident	87.2	Confident	35 Å²	35	63.7 Å²	63.7	36%	0.361	33%	0.332	S	S	.	.	S	Bend	trans	-67	166.7	176.2	0	0	0	0	0	112.9	P87 T113 S117	P87-G115 VanDerWaalsContact CG-C 3.44Å; P87-G115 WeakPolarHBondContact CG-O 3.45Å; T113-G115 PolarHBondContact O-N 3.25Å; G115-S117 PolarHBondContact O-N 2.96Å; G115-S117 VanDerWaalsContact O-N 3.14Å
116	E	90.7	Very high	88.7	Confident	115 Å²	115	63.6 Å²	63.6	54%	0.537	33%	0.331	S	S	.	.			trans	-65	115.5	-175.1	-173.4	169.8	-132.1	0	0	112.2	N145	E116-N145 HydrophobicContact CG-CB 4.11Å; E116-N145 WeakPolarHBondContact OE1-CB 3.1Å; E116-N145 PolarHBondContact OE1-ND2 2.95Å; E116-N145 PolarHBondContact OE2-ND2 3.45Å; E116-N145 PolarHBondContact OE2-OD1 3.02Å
117	S	94.6	Very high	90.2	Very high	21 Å²	21	59.9 Å²	59.9	15%	0.147	31%	0.308	C	S	.	.			trans	-78.4	151.7	171.2	-67.1	0	0	0	0	111.1	F85 S86 G115 D146	F85-S117 CarbonylContact O-C 3.59Å; F85-S117 VanDerWaalsContact O-CA 3.24Å; F85-S117 WeakPolarHBondContact O-CA 3.41Å; F85-S117 WeakPolarHBondContact O-CB 3.48Å; S86-S117 WeakPolarHBondContact CB-OG 3.32Å; S86-S117 PolarHBondContact OG-OG 3.12Å; G115-S117 PolarHBondContact O-N 2.96Å; G115-S117 VanDerWaalsContact O-N 3.14Å; S117-D146 WeakPolarHBondContact O-CB 3.46Å; S117-D146 PolarHBondContact O-N 3.06Å
118	K	95.8	Very high	91.7	Very high	55 Å²	55	56.2 Å²	56.2	24%	0.239	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.5	178.3	-63.7	-175.1	-179.7	179.7	0	111.1	F51 K84 F85 C143 S144	F51-K118 HydrophobicContact CZ-CD 4.36Å; K84-K118 CarbonylContact C-O 3.58Å; K84-K118 WeakPolarHBondContact CA-O 3.47Å; F85-K118 PolarHBondContact N-O 3.35Å; F85-K118 PolarHBondContact O-N 3.07Å; K118-C143 HydrophobicContact CD-CB 4.47Å; K118-S144 CarbonylContact C-O 3.51Å; K118-S144 VanDerWaalsContact CA-O 3.31Å; K118-S144 WeakPolarHBondContact CA-O 3.33Å
119	I	97.6	Very high	93.2	Very high	43 Å²	43	56.9 Å²	56.9	22%	0.221	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.1	165.8	-63.8	177.4	0	0	0	108.3	V67 F82 V83 K84 S144 D146	V67-I119 HydrophobicContact CG2-CD1 4.26Å; F82-I119 HydrophobicContact CB-CG2 4.35Å; F82-I119 HydrophobicContact CD1-CG2 4.38Å; V83-I119 CarbonylContact O-C 3.52Å; V83-I119 WeakPolarHBondContact O-CA 3.29Å; K84-I119 HydrophobicContact CB-CG1 4.3Å; K84-I119 HydrophobicContact CG-CG1 4.5Å; I119-S144 PolarHBondContact N-O 2.97Å; I119-S144 PolarHBondContact O-N 3.07Å; I119-D146 HydrophobicContact CD1-CB 4.43Å; I119-D146 WeakPolarHBondContact CD1-OD1 3.4Å; I119-D146 HydrophobicContact CG1-CB 4.17Å
120	C	98.2	Very high	94.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	140.7	177.1	-52.8	0	0	0	0	111.9	F51 F82 V83 F85 V122 I140 R142 C143	F51-C120 VanDerWaalsContact CE2-SG 3.53Å; F82-C120 WeakPolarHBondContact CA-O 3.3Å; V83-C120 PolarHBondContact N-O 3.2Å; V83-C120 PolarHBondContact O-N 3.36Å; F85-C120 HydrophobicContact CD2-CB 4.23Å; F85-C120 HydrophobicContact CE2-CB 3.86Å; C120-V122 HydrophobicContact CB-CG2 4.29Å; C120-I140 HydrophobicContact CB-CG2 4.08Å; C120-R142 CarbonylContact C-O 3.56Å; C120-R142 VanDerWaalsContact CA-O 3.24Å; C120-R142 WeakPolarHBondContact CA-O 3.26Å; C120-C143 HydrophobicContact CB-CB 4.07Å; C120-C143 WeakPolarHBondContact CB-SG 3.44Å; C120-C143 WeakPolarHBondContact SG-CB 3.1Å; C120-C143 CovalentContact SG-SG 2.04Å; C120-C143 PolarHBondContact SG-SG 3.3Å
121	K	98.5	Very high	94.6	Very high	68 Å²	68	65.6 Å²	65.6	30%	0.296	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	115.7	163.7	-179.4	-179.5	175.9	179.7	0	108	T80 F81 F82 V141 R142	T80-K121 HydrophobicContact CG2-CD 4.35Å; T80-K121 HydrophobicContact CG2-CG 3.92Å; F81-K121 WeakPolarHBondContact O-CA 3.38Å; F82-K121 HydrophobicContact CD1-CB 4.41Å; F82-K121 HydrophobicContact CE1-CB 4.05Å; F82-K121 HydrophobicContact CE1-CG 4.3Å; F82-K121 HydrophobicContact CZ-CD 4.47Å; F82-K121 HydrophobicContact CZ-CG 4.33Å; K121-V141 HydrophobicContact CB-CB 4.48Å; K121-V141 HydrophobicContact CD-CB 4.42Å; K121-V141 HydrophobicContact CD-CG1 4.45Å; K121-V141 HydrophobicContact CG-CB 4.35Å; K121-V141 WeakPolarHBondContact O-CB 3.28Å; K121-V141 PolarHBondContact O-N 2.84Å; K121-R142 HydrophobicContact CB-CG 4.11Å; K121-R142 PolarHBondContact N-O 3.5Å
122	V	98.7	Very high	94.8	Very high	1 Å²	1	63 Å²	63	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.9	177.4	-176.9	0	0	0	0	108.7	V47 T80 F81 V83 C120 I138 R139 I140	V47-V122 HydrophobicContact CG1-CG1 4.12Å; V47-V122 HydrophobicContact CG1-CG2 4.04Å; V47-V122 HydrophobicContact CG2-CG1 3.68Å; T80-V122 CarbonylContact C-O 3.57Å; T80-V122 WeakPolarHBondContact CA-O 3.47Å; F81-V122 HydrophobicContact CB-CB 4.26Å; F81-V122 PolarHBondContact N-O 3.29Å; F81-V122 PolarHBondContact O-N 2.93Å; V83-V122 HydrophobicContact CG2-CG2 4.15Å; C120-V122 HydrophobicContact CB-CG2 4.29Å; V122-I138 HydrophobicContact CG1-CG2 4.14Å; V122-R139 CarbonylContact C-O 3.58Å; V122-R139 WeakPolarHBondContact CA-O 3.02Å; V122-I140 HydrophobicContact CG2-CG1 4.31Å
123	T	98.5	Very high	94.7	Very high	10 Å²	10	67.2 Å²	67.2	6%	0.061	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.2	177.8	55.7	0	0	0	0	110.2	F78 Y79 I138 R139 V141	F78-T123 HydrophobicContact CE1-CG2 3.67Å; F78-T123 VanDerWaalsContact CZ-CB 3.45Å; F78-T123 HydrophobicContact CZ-CG2 3.47Å; F78-T123 VanDerWaalsContact CZ-CG2 3.47Å; Y79-T123 WeakPolarHBondContact O-CA 3.38Å; T123-I138 CarbonylContact O-C 3.46Å; T123-I138 WeakPolarHBondContact O-CA 3.5Å; T123-R139 PolarHBondContact N-O 3.41Å; T123-R139 PolarHBondContact O-N 3.46Å; T123-R139 PolarHBondContact OG1-O 2.93Å; T123-V141 HydrophobicContact CG2-CG2 3.65Å
124	L	98.2	Very high	94.7	Very high	3 Å²	3	71.2 Å²	71.2	2%	0.016	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120	171.6	167.2	66	0	0	0	107.8	E43 F78 Y79 F81 K136 I137 I138	E43-L124 HydrophobicContact CB-CD2 4.5Å; E43-L124 HydrophobicContact CG-CD2 3.96Å; F78-L124 CarbonylContact C-O 3.6Å; F78-L124 WeakPolarHBondContact CA-O 3.49Å; Y79-L124 HydrophobicContact CD2-CB 4.43Å; Y79-L124 HydrophobicContact CD2-CD2 3.78Å; Y79-L124 HydrophobicContact CD2-CG 4.08Å; Y79-L124 HydrophobicContact CE2-CD2 4.41Å; Y79-L124 PolarHBondContact N-O 2.86Å; Y79-L124 PolarHBondContact O-N 2.74Å; F81-L124 HydrophobicContact CE2-CB 3.68Å; F81-L124 HydrophobicContact CE2-CD2 4.19Å; F81-L124 HydrophobicContact CZ-CB 4.48Å; F81-L124 HydrophobicContact CZ-CD2 4.19Å; L124-K136 HydrophobicContact CD1-CB 4.03Å; L124-K136 HydrophobicContact CD1-CG 4.31Å; L124-I137 CarbonylContact C-O 3.59Å; L124-I137 VanDerWaalsContact CA-O 3.32Å; L124-I137 WeakPolarHBondContact CA-O 3.02Å; L124-I138 HydrophobicContact CD1-CD1 4.37Å; L124-I138 HydrophobicContact CD1-CG1 3.67Å
125	W	98.1	Very high	95.2	Very high	63 Å²	63	64.1 Å²	64.1	24%	0.239	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	109.6	170.4	-171.4	18.4	0	0	0	109.3	Q75 F78 R127 K136 I137	Q75-W125 HydrophobicContact CB-CZ2 4.19Å; Q75-W125 WeakPolarHBondContact O-CZ2 3.46Å; Q75-W125 PolarHBondContact O-NE1 2.8Å; F78-W125 HydrophobicContact CD2-CB 3.88Å; F78-W125 HydrophobicContact CD2-CG 4.07Å; F78-W125 HydrophobicContact CE2-CB 4.2Å; W125-R127 VanDerWaalsContact CH2-NH1 3.29Å; W125-R127 HydrophobicContact CZ2-CG 4.45Å; W125-K136 WeakPolarHBondContact O-CA 3.21Å; W125-I137 HydrophobicContact CB-CB 4.48Å; W125-I137 HydrophobicContact CE3-CD1 4.18Å; W125-I137 PolarHBondContact N-O 3.39Å; W125-I137 PolarHBondContact O-N 3.25Å
126	D	97.8	Very high	95.7	Very high	23 Å²	23	66.4 Å²	66.4	12%	0.123	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.1	-177.9	-167.4	0.5	0	0	0	110.4	G76 I77 Y79 S135	G76-D126 CarbonylContact C-O 3.47Å; G76-D126 WeakPolarHBondContact CA-O 3.45Å; I77-D126 PolarHBondContact N-O 3.29Å; I77-D126 PolarHBondContact O-N 3Å; Y79-D126 HydrophobicContact CE2-CB 4.26Å; D126-S135 CarbonylContact C-O 3.5Å; D126-S135 WeakPolarHBondContact CA-O 3.43Å
127	R	97.6	Very high	96	Very high	33 Å²	33	62.6 Å²	62.6	13%	0.125	31%	0.306	C	S	.	.			trans	-132	78.3	-178.9	-68.4	-177.5	-66.9	177	7.5	108.3	Q75 W125 W129 L130 F134 S135	Q75-R127 VanDerWaalsContact O-CD 3.3Å; Q75-R127 WeakPolarHBondContact O-CD 3.06Å; Q75-R127 WeakPolarHBondContact O-CG 3.49Å; W125-R127 VanDerWaalsContact CH2-NH1 3.29Å; W125-R127 HydrophobicContact CZ2-CG 4.45Å; R127-W129 HydrophobicContact CB-CZ2 4.16Å; R127-W129 HydrophobicContact CG-CH2 4.45Å; R127-W129 HydrophobicContact CG-CZ2 4.08Å; R127-W129 PolarHBondContact O-N 2.79Å; R127-L130 HydrophobicContact CB-CD1 3.81Å; R127-L130 HydrophobicContact CB-CG 4.09Å; R127-L130 VanDerWaalsContact CZ-CD1 3.42Å; R127-L130 PolarHBondContact O-N 2.89Å; R127-F134 PolarHBondContact NH2-O 2.97Å; R127-S135 PolarHBondContact N-O 3.32Å
128	P	95.2	Very high	96.1	Very high	91 Å²	91	62.8 Å²	62.8	59%	0.591	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.9	-168.5	-26.2	35.3	0	0	0	115.3	L130	P128-L130 VanDerWaalsContact C-N 3.29Å; P128-L130 PolarHBondContact O-N 3.08Å
129	W	96	Very high	96.2	Very high	153 Å²	153	67.3 Å²	67.3	58%	0.58	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-7.5	178.2	58.1	87.6	0	0	0	114.1	Q75 G76 R127	Q75-W129 HydrophobicContact CG-CZ2 4.07Å; G76-W129 VanDerWaalsContact N-CH2 3.29Å; R127-W129 HydrophobicContact CB-CZ2 4.16Å; R127-W129 HydrophobicContact CG-CH2 4.45Å; R127-W129 HydrophobicContact CG-CZ2 4.08Å; R127-W129 PolarHBondContact O-N 2.79Å
130	L	96.5	Very high	96.2	Very high	55 Å²	55	65.9 Å²	65.9	29%	0.288	31%	0.314	S	S	.	.			trans	-87.3	128.9	174.9	-62.1	179.1	0	0	0	109.9	R127 P128 S132 F134 S135	R127-L130 HydrophobicContact CB-CD1 3.81Å; R127-L130 HydrophobicContact CB-CG 4.09Å; R127-L130 VanDerWaalsContact CZ-CD1 3.42Å; R127-L130 PolarHBondContact O-N 2.89Å; P128-L130 VanDerWaalsContact C-N 3.29Å; P128-L130 PolarHBondContact O-N 3.08Å; L130-S132 VanDerWaalsContact C-N 3.3Å; L130-S132 PolarHBondContact O-N 3.34Å; L130-F134 HydrophobicContact CD1-CB 4.4Å; L130-S135 WeakPolarHBondContact O-CB 3.35Å
131	Q	91.6	Very high	96.2	Very high	202 Å²	202	69.5 Å²	69.5	94%	0.944	34%	0.335	S	S	*	.			trans	-94.1	52.3	178.4	-60.9	177	8.9	0	0	111.2
132	S	92.8	Very high	96.1	Very high	54 Å²	54	72.6 Å²	72.6	38%	0.378	35%	0.345	S	S	.	.	S	Bend	trans	-154.9	174.5	-178.5	61.8	0	0	0	0	111.4	L130 F134 S135	L130-S132 VanDerWaalsContact C-N 3.3Å; L130-S132 PolarHBondContact O-N 3.34Å; S132-F134 PolarHBondContact O-N 3.13Å; S132-F134 PolarHBondContact OG-N 3.23Å; S132-S135 VanDerWaalsContact O-CB 3.25Å; S132-S135 WeakPolarHBondContact O-CB 3.32Å; S132-S135 PolarHBondContact O-N 2.92Å; S132-S135 PolarHBondContact O-OG 3.01Å
133	D	88.3	Confident	96.1	Very high	153 Å²	153	74.1 Å²	74.1	82%	0.818	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-60.3	-16.2	172.3	-62.5	-30.9	0	0	0	112.9	S135	D133-S135 PolarHBondContact O-N 3.41Å
134	F	92.1	Very high	95.9	Very high	137 Å²	137	76.3 Å²	76.3	60%	0.601	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-76.2	-5.9	173.4	-58.8	-68.9	0	0	0	114.1	R127 L130 S132 K136	R127-F134 PolarHBondContact NH2-O 2.97Å; L130-F134 HydrophobicContact CD1-CB 4.4Å; S132-F134 PolarHBondContact O-N 3.13Å; S132-F134 PolarHBondContact OG-N 3.23Å; F134-K136 VanDerWaalsContact C-N 3.26Å; F134-K136 PolarHBondContact O-N 3.08Å
135	S	95.8	Very high	95.7	Very high	31 Å²	31	79.6 Å²	79.6	22%	0.217	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-62	-34.5	173.3	59.6	0	0	0	0	111.9	D126 R127 L130 S132 D133	D126-S135 CarbonylContact C-O 3.5Å; D126-S135 WeakPolarHBondContact CA-O 3.43Å; R127-S135 PolarHBondContact N-O 3.32Å; L130-S135 WeakPolarHBondContact O-CB 3.35Å; S132-S135 VanDerWaalsContact O-CB 3.25Å; S132-S135 WeakPolarHBondContact O-CB 3.32Å; S132-S135 PolarHBondContact O-N 2.92Å; S132-S135 PolarHBondContact O-OG 3.01Å; D133-S135 PolarHBondContact O-N 3.41Å
136	K	96.5	Very high	95.3	Very high	84 Å²	84	78.6 Å²	78.6	37%	0.365	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	109.1	178.7	-72	-175.4	175.8	-177.2	0	111	E43 L124 W125 F134	E43-K136 IonicContact OE1-NZ 2.72Å; E43-K136 PolarHBondContact OE1-NZ 3.31Å; L124-K136 HydrophobicContact CD1-CB 4.03Å; L124-K136 HydrophobicContact CD1-CG 4.31Å; W125-K136 WeakPolarHBondContact O-CA 3.21Å; F134-K136 VanDerWaalsContact C-N 3.26Å; F134-K136 PolarHBondContact O-N 3.08Å
137	I	97.2	Very high	94.3	Very high	35 Å²	35	84.1 Å²	84.1	18%	0.179	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.9	177.7	-62.5	172.4	0	0	0	109.3	L124 W125 R139	L124-I137 CarbonylContact C-O 3.59Å; L124-I137 VanDerWaalsContact CA-O 3.32Å; L124-I137 WeakPolarHBondContact CA-O 3.02Å; W125-I137 HydrophobicContact CB-CB 4.48Å; W125-I137 HydrophobicContact CE3-CD1 4.18Å; W125-I137 PolarHBondContact N-O 3.39Å; W125-I137 PolarHBondContact O-N 3.25Å; I137-R139 HydrophobicContact CG2-CG 4.16Å
138	I	97.7	Very high	92.3	Very high	25 Å²	25	90.2 Å²	90.2	13%	0.128	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.2	176	-63.5	174.3	0	0	0	109.8	E43 K46 V47 K50 V122 T123 L124	E43-I138 HydrophobicContact CB-CD1 4.44Å; K46-I138 HydrophobicContact CB-CD1 4.02Å; K46-I138 HydrophobicContact CD-CD1 4.38Å; V47-I138 HydrophobicContact CG2-CD1 4.32Å; V47-I138 HydrophobicContact CG2-CG2 3.48Å; V47-I138 VanDerWaalsContact CG2-CG2 3.48Å; K50-I138 HydrophobicContact CD-CG2 4.42Å; K50-I138 PolarHBondContact NZ-O 2.02Å; V122-I138 HydrophobicContact CG1-CG2 4.14Å; T123-I138 CarbonylContact O-C 3.46Å; T123-I138 WeakPolarHBondContact O-CA 3.5Å; L124-I138 HydrophobicContact CD1-CD1 4.37Å; L124-I138 HydrophobicContact CD1-CG1 3.67Å
139	R	98.1	Very high	92.1	Very high	149 Å²	149	90.2 Å²	90.2	56%	0.562	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	131.5	175.1	-62.8	179.3	179	154.1	-1.3	111.2	V122 T123 I137 V141	V122-R139 CarbonylContact C-O 3.58Å; V122-R139 WeakPolarHBondContact CA-O 3.02Å; T123-R139 PolarHBondContact N-O 3.41Å; T123-R139 PolarHBondContact O-N 3.46Å; T123-R139 PolarHBondContact OG1-O 2.93Å; I137-R139 HydrophobicContact CG2-CG 4.16Å; R139-V141 PolarHBondContact O-N 3.29Å
140	I	97.9	Very high	91.9	Very high	14 Å²	14	86.9 Å²	86.9	7%	0.072	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	111.6	162.9	-56.7	175.2	0	0	0	105.7	K50 F51 Y55 C120 V122	K50-I140 HydrophobicContact CB-CD1 4.36Å; K50-I140 HydrophobicContact CG-CD1 4.13Å; F51-I140 HydrophobicContact CB-CD1 3.69Å; F51-I140 HydrophobicContact CD2-CD1 4.19Å; F51-I140 HydrophobicContact CG-CD1 4.43Å; Y55-I140 HydrophobicContact CD2-CD1 4.23Å; Y55-I140 HydrophobicContact CD2-CG2 4.47Å; Y55-I140 HydrophobicContact CE2-CB 4.01Å; Y55-I140 HydrophobicContact CE2-CD1 4.03Å; Y55-I140 HydrophobicContact CE2-CG2 3.56Å; C120-I140 HydrophobicContact CB-CG2 4.08Å; V122-I140 HydrophobicContact CG2-CG1 4.31Å
141	V	97.5	Very high	91.6	Very high	75 Å²	75	88.7 Å²	88.7	46%	0.455	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-45.7	-172.5	176.8	0	0	0	0	110.5	K121 T123 R139	K121-V141 HydrophobicContact CB-CB 4.48Å; K121-V141 HydrophobicContact CD-CB 4.42Å; K121-V141 HydrophobicContact CD-CG1 4.45Å; K121-V141 HydrophobicContact CG-CB 4.35Å; K121-V141 WeakPolarHBondContact O-CB 3.28Å; K121-V141 PolarHBondContact O-N 2.84Å; T123-V141 HydrophobicContact CG2-CG2 3.65Å; R139-V141 PolarHBondContact O-N 3.29Å
142	R	97	Very high	91.6	Very high	133 Å²	133	82 Å²	82	50%	0.502	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	153	178.4	60.7	-178.3	-174.8	84.3	-3.8	109.9	C120 K121	C120-R142 CarbonylContact C-O 3.56Å; C120-R142 VanDerWaalsContact CA-O 3.24Å; C120-R142 WeakPolarHBondContact CA-O 3.26Å; K121-R142 HydrophobicContact CB-CG 4.11Å; K121-R142 PolarHBondContact N-O 3.5Å
143	C	97.2	Very high	91.6	Very high	33 Å²	33	83.8 Å²	83.8	22%	0.223	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	148.9	172.1	-62.1	0	0	0	0	109.6	K118 C120	K118-C143 HydrophobicContact CD-CB 4.47Å; C120-C143 HydrophobicContact CB-CB 4.07Å; C120-C143 WeakPolarHBondContact CB-SG 3.44Å; C120-C143 WeakPolarHBondContact SG-CB 3.1Å; C120-C143 CovalentContact SG-SG 2.04Å; C120-C143 PolarHBondContact SG-SG 3.3Å
144	S	95.7	Very high	91.8	Very high	56 Å²	56	79.1 Å²	79.1	39%	0.392	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.3	171.7	-56.6	0	0	0	0	107.6	K118 I119	K118-S144 CarbonylContact C-O 3.51Å; K118-S144 VanDerWaalsContact CA-O 3.31Å; K118-S144 WeakPolarHBondContact CA-O 3.33Å; I119-S144 PolarHBondContact N-O 2.97Å; I119-S144 PolarHBondContact O-N 3.07Å
145	N	93.9	Very high	91.8	Very high	72 Å²	72	75 Å²	75	39%	0.385	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	143.4	176.7	-60.2	-15.2	0	0	0	109	E116 T147	E116-N145 HydrophobicContact CG-CB 4.11Å; E116-N145 WeakPolarHBondContact OE1-CB 3.1Å; E116-N145 PolarHBondContact OE1-ND2 2.95Å; E116-N145 PolarHBondContact OE2-ND2 3.45Å; E116-N145 PolarHBondContact OE2-OD1 3.02Å; N145-T147 PolarHBondContact O-N 2.99Å
146	D	89	Confident	91.5	Very high	43 Å²	43	78.4 Å²	78.4	23%	0.23	42%	0.421	C	S	.	.			trans	-74.2	95	178.2	-170.2	20.1	0	0	0	108.6	K84 S117 I119 S148	K84-D146 VanDerWaalsContact CD-OD2 3.31Å; K84-D146 WeakPolarHBondContact CD-OD2 3.21Å; K84-D146 WeakPolarHBondContact CE-OD2 3.16Å; K84-D146 IonicContact NZ-OD2 2.65Å; K84-D146 PolarHBondContact NZ-OD2 2.72Å; S117-D146 WeakPolarHBondContact O-CB 3.46Å; S117-D146 PolarHBondContact O-N 3.06Å; I119-D146 HydrophobicContact CD1-CB 4.43Å; I119-D146 WeakPolarHBondContact CD1-OD1 3.4Å; I119-D146 HydrophobicContact CG1-CB 4.17Å; D146-S148 PolarHBondContact O-N 3.31Å
147	T	76.1	Confident	91	Very high	138 Å²	138	77.9 Å²	77.9	85%	0.847	43%	0.426	S	S	*	.			trans	-77.8	72.2	172.3	58.9	0	0	0	0	108.5	N145	N145-T147 PolarHBondContact O-N 2.99Å
148	S	55.4	Low	90.5	Very high	162 Å²	162	81.8 Å²	81.8	100%	1.133	45%	0.448	S	S	*	.			trans	-95	0	169.8	-169.7	0	0	0	0	111.6	D146	D146-S148 PolarHBondContact O-N 3.31Å

Retrieved 148 of 148 residues in 42.4 ms (Link to these results)

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