A0A5K4F4Y5_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F4Y5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 112 aa.

						>A0A5K4F4Y5_SCHMA|A0A5K4F4Y5
MVTILPYIDCAGILWNDNAPTATTKDIRTTTKASRPITEKQGPFFINNYDIGTRGRMRYYPVNEPKLICTQSGGIIKCYYVNKGTRIQRFNGNKLLWLLLILNFLYLLISRY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27	Very low	35.3	Very low	241 Å²	241	93.7 Å²	93.7	100%	1.187	50%	0.498	S	S	*	.				0	115.1	0	-95.5	172.3	159.6	0	0	108	T3	M1-T3 PolarHBondContact O-N 3.34Å
2	V	23.1	Very low	35.5	Very low	137 Å²	137	87.8 Å²	87.8	83%	0.83	48%	0.475	S	S	*	.			trans	-83.2	106.1	171.7	177.3	0	0	0	0	106.8	I4	V2-I4 HydrophobicContact CG1-CG1 4.24Å; V2-I4 PolarHBondContact O-N 2.98Å; V2-I4 VanDerWaalsContact O-N 3.13Å
3	T	24.7	Very low	36.2	Very low	121 Å²	121	85.1 Å²	85.1	74%	0.742	46%	0.46	S	S	*	.			trans	-72.6	99.8	169.6	7.6	0	0	0	0	107.7	M1 L5	M1-T3 PolarHBondContact O-N 3.34Å; T3-L5 PolarHBondContact O-N 3Å; T3-L5 VanDerWaalsContact O-N 3.1Å
4	I	29.4	Very low	36.7	Very low	148 Å²	148	80.4 Å²	80.4	76%	0.759	43%	0.434	S	S	*	.			trans	-73.2	99.1	170.6	-57.2	170.9	0	0	0	105.9	V2 P6	V2-I4 HydrophobicContact CG1-CG1 4.24Å; V2-I4 PolarHBondContact O-N 2.98Å; V2-I4 VanDerWaalsContact O-N 3.13Å; I4-P6 WeakPolarHBondContact O-CD 3.46Å
5	L	34	Very low	37	Very low	99 Å²	99	82.4 Å²	82.4	52%	0.518	43%	0.433	S	S	.	.			trans	-71	119.5	169.4	-83.2	101.9	0	0	0	108.3	T3 Y7 Y79	T3-L5 PolarHBondContact O-N 3Å; T3-L5 VanDerWaalsContact O-N 3.1Å; L5-Y7 VanDerWaalsContact O-CD2 3.26Å; L5-Y7 WeakPolarHBondContact O-CD2 3.24Å; L5-Y7 PolarHBondContact O-N 3.3Å; L5-Y79 HydrophobicContact CD2-CD1 4.42Å
6	P	38.2	Very low	37.1	Very low	54 Å²	54	84.1 Å²	84.1	35%	0.351	44%	0.443	S	S	.	.			trans	-66.4	121.9	174.7	26.2	-30.8	0	0	0	109.1	I4 Y80	I4-P6 WeakPolarHBondContact O-CD 3.46Å; P6-Y80 HydrophobicContact CG-CD2 4.43Å; P6-Y80 HydrophobicContact CG-CE2 4.15Å
7	Y	36.7	Very low	37.5	Very low	127 Å²	127	88.4 Å²	88.4	50%	0.498	47%	0.466	S	S	.	.			trans	-86.1	114.4	-179.1	-77	-86.1	0	0	0	110.9	L5 K77 Y79	L5-Y7 VanDerWaalsContact O-CD2 3.26Å; L5-Y7 WeakPolarHBondContact O-CD2 3.24Å; L5-Y7 PolarHBondContact O-N 3.3Å; Y7-K77 HydrophobicContact CD1-CB 4.47Å; Y7-K77 HydrophobicContact CD1-CG 4.48Å; Y7-K77 HydrophobicContact CE1-CB 4.39Å; Y7-K77 HydrophobicContact CE1-CD 4.02Å; Y7-K77 HydrophobicContact CE1-CG 4.3Å; Y7-Y79 AromaticContact CE1-CE1 3.84Å; Y7-Y79 HydrophobicContact CE1-CE1 3.84Å
8	I	45	Very low	37.5	Very low	28 Å²	28	92.1 Å²	92.1	14%	0.144	49%	0.486	C	S	.	.			trans	-64.7	106.7	169.7	-19.5	-150.1	0	0	0	114.7	C10 I46 Y49 C78 Y80	I8-C10 PolarHBondContact O-N 3.44Å; I8-I46 HydrophobicContact CB-CD1 4.35Å; I8-I46 HydrophobicContact CD1-CG2 3.36Å; I8-I46 HydrophobicContact CG1-CG2 4.26Å; I8-I46 HydrophobicContact CG2-CD1 4.22Å; I8-I46 HydrophobicContact CG2-CG2 4.14Å; I8-Y49 HydrophobicContact CD1-CE1 4.44Å; I8-C78 WeakPolarHBondContact O-CB 3.34Å; I8-Y80 HydrophobicContact CD1-CE2 4.42Å; I8-Y80 WeakPolarHBondContact CD1-OH 3.29Å; I8-Y80 HydrophobicContact CG1-CE2 3.87Å; I8-Y80 VanDerWaalsContact CG1-OH 3.25Å; I8-Y80 WeakPolarHBondContact CG1-OH 3.42Å
9	D	44.8	Very low	37.5	Very low	61 Å²	61	88.9 Å²	88.9	33%	0.326	47%	0.474	S	S	.	.			trans	-76.3	101.2	168.2	-163.6	-9.6	0	0	0	111.3	A11 I27	D9-A11 PolarHBondContact OD1-N 3.35Å; D9-I27 WeakPolarHBondContact OD2-CA 3.43Å; D9-I27 VanDerWaalsContact OD2-CB 3.28Å; D9-I27 WeakPolarHBondContact OD2-CB 3.33Å; D9-I27 PolarHBondContact OD2-N 3.43Å; D9-I27 VanDerWaalsContact OD2-N 3.12Å
10	C	46	Very low	37.4	Very low	1 Å²	1	89.6 Å²	89.6	1%	0.007	48%	0.484	C	S	.	.			trans	-97.3	15.7	-177.3	-58.4	0	0	0	0	114.2	I8 G12 I13 L14 C69 C78	I8-C10 PolarHBondContact O-N 3.44Å; C10-G12 PolarHBondContact O-N 3.43Å; C10-I13 HydrophobicContact CB-CB 4.35Å; C10-I13 PolarHBondContact O-N 3.44Å; C10-L14 HydrophobicContact CB-CD1 4.09Å; C10-L14 PolarHBondContact O-N 3.08Å; C10-C69 VanDerWaalsContact CB-SG 3.57Å; C10-C78 HydrophobicContact CB-CB 4.26Å; C10-C78 WeakPolarHBondContact CB-SG 3.45Å; C10-C78 WeakPolarHBondContact SG-CB 3.1Å; C10-C78 PolarHBondContact SG-SG 3.48Å
11	A	39	Very low	37.6	Very low	14 Å²	14	90.3 Å²	90.3	12%	0.116	49%	0.491	C	S	.	.	H	α-helix	trans	-57.9	-35.4	176.9	0	0	0	0	0	112.3	D9 W15 T29	D9-A11 PolarHBondContact OD1-N 3.35Å; A11-W15 WeakPolarHBondContact O-CB 3.29Å; A11-W15 PolarHBondContact O-N 2.86Å; A11-T29 HydrophobicContact CB-CG2 3.69Å
12	G	38.5	Very low	38	Very low	22 Å²	22	82.1 Å²	82.1	23%	0.227	46%	0.462	C	S	.	.	H	α-helix	trans	-66.5	-36.8	173.9	0	0	0	0	0	113.9	C10 A19	C10-G12 PolarHBondContact O-N 3.43Å; G12-A19 VanDerWaalsContact O-CB 3.29Å; G12-A19 WeakPolarHBondContact O-CB 3.45Å
13	I	44.1	Very low	38.5	Very low	53 Å²	53	80.4 Å²	80.4	27%	0.272	45%	0.452	S	S	.	.	H	α-helix	trans	-81.1	-30.7	-173.5	-60.7	172.6	0	0	0	112	C10 K40 F44 L67	C10-I13 HydrophobicContact CB-CB 4.35Å; C10-I13 PolarHBondContact O-N 3.44Å; I13-K40 PolarHBondContact O-NZ 3.39Å; I13-F44 HydrophobicContact CD1-CD1 4.24Å; I13-F44 HydrophobicContact CG2-CD1 3.77Å; I13-F44 HydrophobicContact CG2-CE1 3.38Å; I13-F44 HydrophobicContact CG2-CZ 4.37Å; I13-L67 HydrophobicContact CD1-CD1 4.3Å
14	L	42.9	Very low	39	Very low	20 Å²	20	80 Å²	80	11%	0.105	45%	0.45	C	S	.	.	H	α-helix	trans	-83.2	-32	-177.5	-80.5	159	0	0	0	113	C10 I37 K40 C69 I76	C10-L14 HydrophobicContact CB-CD1 4.09Å; C10-L14 PolarHBondContact O-N 3.08Å; L14-I37 HydrophobicContact CD1-CD1 3.94Å; L14-I37 HydrophobicContact CD1-CG2 4.15Å; L14-I37 HydrophobicContact CD2-CG1 4.43Å; L14-I37 HydrophobicContact CD2-CG2 3.52Å; L14-K40 HydrophobicContact CD2-CB 4.3Å; L14-K40 HydrophobicContact CD2-CD 3.73Å; L14-K40 HydrophobicContact CD2-CG 3.76Å; L14-K40 PolarHBondContact O-NZ 3.12Å; L14-C69 HydrophobicContact CD1-CB 3.88Å; L14-I76 HydrophobicContact CD1-CG2 4Å
15	W	42.3	Very low	39	Very low	110 Å²	110	81.6 Å²	81.6	42%	0.417	45%	0.451	S	S	.	.	H	α-helix	trans	-109.6	-11.1	-162.7	-65.2	95.7	0	0	0	116	A11 A33 I37	A11-W15 WeakPolarHBondContact O-CB 3.29Å; A11-W15 PolarHBondContact O-N 2.86Å; W15-A33 HydrophobicContact CH2-CB 3.34Å; W15-A33 VanDerWaalsContact CZ2-CA 3.49Å; W15-A33 HydrophobicContact CZ2-CB 3.23Å; W15-I37 HydrophobicContact CZ2-CD1 4.02Å; W15-I37 HydrophobicContact CZ2-CG1 4.42Å
16	N	38.4	Very low	38.9	Very low	109 Å²	109	85 Å²	85	58%	0.583	47%	0.47	S	S	*	.			trans	-128.1	116.5	178.1	-110.2	-10.2	0	0	0	110	N18 A19	N16-N18 PolarHBondContact O-N 3.03Å; N16-N18 VanDerWaalsContact O-N 3.08Å; N16-A19 HydrophobicContact CB-CB 3.49Å; N16-A19 VanDerWaalsContact CB-CB 3.49Å; N16-A19 PolarHBondContact O-N 3.31Å
17	D	43.3	Very low	38.7	Very low	157 Å²	157	85.9 Å²	85.9	84%	0.84	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-13	175.8	-68.6	-32.8	0	0	0	112.6
18	N	37.1	Very low	38.4	Very low	155 Å²	155	90.7 Å²	90.7	83%	0.829	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.9	19.4	-179.9	-70.8	-21.7	0	0	0	114.3	N16	N16-N18 PolarHBondContact O-N 3.03Å; N16-N18 VanDerWaalsContact O-N 3.08Å
19	A	38	Very low	37.8	Very low	32 Å²	32	91.4 Å²	91.4	26%	0.264	49%	0.494	S	S	.	.			trans	-68.9	128.4	-178.1	0	0	0	0	0	111.6	G12 N16 T21	G12-A19 VanDerWaalsContact O-CB 3.29Å; G12-A19 WeakPolarHBondContact O-CB 3.45Å; N16-A19 HydrophobicContact CB-CB 3.49Å; N16-A19 VanDerWaalsContact CB-CB 3.49Å; N16-A19 PolarHBondContact O-N 3.31Å; A19-T21 PolarHBondContact O-N 3.07Å
20	P	35.9	Very low	37.1	Very low	102 Å²	102	94.7 Å²	94.7	66%	0.662	52%	0.516	S	S	*	.			trans	-61.9	134.4	170	25.7	-31.7	0	0	0	109.4	A22	P20-A22 PolarHBondContact O-N 2.92Å
21	T	40.3	Very low	36.5	Very low	105 Å²	105	99.4 Å²	99.4	64%	0.644	55%	0.545	S	S	*	.	S	Bend	trans	-63.3	12.9	-170	-23.5	0	0	0	0	115.3	A19 F45	A19-T21 PolarHBondContact O-N 3.07Å; T21-F45 HydrophobicContact CG2-CB 4.43Å
22	A	36.8	Very low	36.4	Very low	70 Å²	70	107.6 Å²	107.6	58%	0.579	58%	0.578	S	S	*	*			trans	-142.9	92.5	-174.1	0	0	0	0	0	111	P20	P20-A22 PolarHBondContact O-N 2.92Å
23	T	33.5	Very low	36.4	Very low	100 Å²	100	107.3 Å²	107.3	61%	0.613	57%	0.574	S	S	*	*			trans	-123.9	120.5	160.7	44.5	0	0	0	0	110.1
24	T	34.4	Very low	36.3	Very low	113 Å²	113	109.9 Å²	109.9	69%	0.693	60%	0.597	S	S	*	*			trans	-102.8	45.5	-166.8	36.4	0	0	0	0	113.3
25	K	30.3	Very low	36.1	Very low	181 Å²	181	118.4 Å²	118.4	79%	0.787	63%	0.628	S	S	*	*	S	Bend	trans	-137.5	144.5	173.9	-78	-172.9	175.3	179.8	0	110.6	I27	K25-I27 WeakPolarHBondContact O-CG1 3.44Å; K25-I27 PolarHBondContact O-N 3.43Å
26	D	32.4	Very low	36.3	Very low	170 Å²	170	118.4 Å²	118.4	91%	0.909	64%	0.642	S	S	*	*			trans	-55.3	103.3	167.5	-71.5	-42.3	0	0	0	108.9	R28	D26-R28 PolarHBondContact O-N 2.98Å
27	I	32.3	Very low	36.9	Very low	74 Å²	74	114.7 Å²	114.7	38%	0.379	62%	0.621	S	S	.	*			trans	-92.2	104.1	176.2	-59.6	169.1	0	0	0	106.8	D9 K25 T29	D9-I27 WeakPolarHBondContact OD2-CA 3.43Å; D9-I27 VanDerWaalsContact OD2-CB 3.28Å; D9-I27 WeakPolarHBondContact OD2-CB 3.33Å; D9-I27 PolarHBondContact OD2-N 3.43Å; D9-I27 VanDerWaalsContact OD2-N 3.12Å; K25-I27 WeakPolarHBondContact O-CG1 3.44Å; K25-I27 PolarHBondContact O-N 3.43Å; I27-T29 PolarHBondContact O-N 3.3Å
28	R	31.4	Very low	37.1	Very low	228 Å²	228	112.2 Å²	112.2	86%	0.86	61%	0.612	S	S	*	*			trans	-59	108.3	159.7	-96.8	-179.4	171.1	173.8	-2.5	107.6	D26 T30	D26-R28 PolarHBondContact O-N 2.98Å; R28-T30 HydrophobicContact CB-CG2 4.47Å; R28-T30 PolarHBondContact O-N 3.44Å
29	T	31.8	Very low	37.7	Very low	42 Å²	42	106.4 Å²	106.4	26%	0.258	58%	0.58	S	S	.	*			trans	-62.8	97.4	172.3	25.5	0	0	0	0	108.6	A11 I27 I76	A11-T29 HydrophobicContact CB-CG2 3.69Å; I27-T29 PolarHBondContact O-N 3.3Å; T29-I76 HydrophobicContact CG2-CD1 4.19Å
30	T	29.9	Very low	38.2	Very low	130 Å²	130	109 Å²	109	80%	0.798	59%	0.585	S	S	*	*			trans	-94.7	-5	-177.2	40.4	0	0	0	0	113.2	R28	R28-T30 HydrophobicContact CB-CG2 4.47Å; R28-T30 PolarHBondContact O-N 3.44Å
31	T	33.3	Very low	38.3	Very low	101 Å²	101	109.7 Å²	109.7	62%	0.62	58%	0.58	S	S	*	*	S	Bend	trans	-115.9	116.5	-179.5	39.8	0	0	0	0	111.1	A33	T31-A33 PolarHBondContact O-N 2.99Å
32	K	36.6	Very low	38.3	Very low	185 Å²	185	105.8 Å²	105.8	80%	0.804	56%	0.56	S	S	*	*			trans	-52.6	123.1	166.9	-103.5	-179.2	177.3	176.8	0	108.4	S34	K32-S34 PolarHBondContact O-N 3.49Å
33	A	39.3	Very low	38.5	Very low	16 Å²	16	107.9 Å²	107.9	13%	0.132	57%	0.568	C	S	.	*			trans	-53.6	125.8	168.7	0	0	0	0	0	110.1	W15 T31 R35 I37 Q71	W15-A33 HydrophobicContact CH2-CB 3.34Å; W15-A33 VanDerWaalsContact CZ2-CA 3.49Å; W15-A33 HydrophobicContact CZ2-CB 3.23Å; T31-A33 PolarHBondContact O-N 2.99Å; A33-R35 WeakPolarHBondContact CB-O 3.47Å; A33-R35 PolarHBondContact O-N 3.31Å; A33-I37 HydrophobicContact CB-CD1 4.22Å; A33-I37 HydrophobicContact CB-CG1 4.41Å; A33-Q71 VanDerWaalsContact CB-NE2 3.29Å
34	S	41.1	Very low	39.1	Very low	108 Å²	108	104.3 Å²	104.3	76%	0.755	54%	0.544	S	S	*	.	S	Bend	trans	-65.8	-18.1	176.5	57.8	0	0	0	0	112.6	K32	K32-S34 PolarHBondContact O-N 3.49Å
35	R	40.2	Very low	39.4	Very low	199 Å²	199	104.2 Å²	104.2	75%	0.751	53%	0.534	S	S	*	.	S	Bend	trans	-135.4	141.1	179.8	-57.4	-176.9	-175.5	-177	1.7	109.6	A33 I37	A33-R35 WeakPolarHBondContact CB-O 3.47Å; A33-R35 PolarHBondContact O-N 3.31Å; R35-I37 PolarHBondContact O-N 2.95Å
36	P	45.4	Very low	40.2	Very low	110 Å²	110	96.1 Å²	96.1	71%	0.714	50%	0.5	S	S	*	.			trans	-60	122.2	175.7	24.1	-31.5	0	0	0	109.2	T38	P36-T38 PolarHBondContact O-N 2.99Å
37	I	51.8	Low	40.7	Very low	31 Å²	31	91.3 Å²	91.3	16%	0.159	47%	0.474	C	S	.	.			trans	-70.8	100.7	178.6	-63.9	155.6	0	0	0	108.1	L14 W15 A33 R35 E39 C69 I76	L14-I37 HydrophobicContact CD1-CD1 3.94Å; L14-I37 HydrophobicContact CD1-CG2 4.15Å; L14-I37 HydrophobicContact CD2-CG1 4.43Å; L14-I37 HydrophobicContact CD2-CG2 3.52Å; W15-I37 HydrophobicContact CZ2-CD1 4.02Å; W15-I37 HydrophobicContact CZ2-CG1 4.42Å; A33-I37 HydrophobicContact CB-CD1 4.22Å; A33-I37 HydrophobicContact CB-CG1 4.41Å; R35-I37 PolarHBondContact O-N 2.95Å; I37-E39 PolarHBondContact O-N 3.3Å; I37-C69 HydrophobicContact CG2-CB 4.32Å; I37-I76 HydrophobicContact CD1-CD1 3.49Å; I37-I76 VanDerWaalsContact CD1-CD1 3.49Å; I37-I76 HydrophobicContact CD1-CG1 3.95Å; I37-I76 HydrophobicContact CD1-CG2 4.48Å
38	T	48	Very low	41.2	Very low	105 Å²	105	90.6 Å²	90.6	64%	0.644	47%	0.47	S	S	*	.			trans	-90	93.8	167.7	44.5	0	0	0	0	108.5	P36	P36-T38 PolarHBondContact O-N 2.99Å
39	E	49	Very low	41.8	Very low	33 Å²	33	84.9 Å²	84.9	15%	0.154	45%	0.45	C	S	.	.			trans	38.2	97.3	160.6	-162.4	-173.7	152.2	0	0	116.4	I37 Q41 I68 I87 R89	I37-E39 PolarHBondContact O-N 3.3Å; E39-Q41 HydrophobicContact CG-CG 4.42Å; E39-Q41 PolarHBondContact OE1-NE2 3Å; E39-I68 HydrophobicContact CG-CG2 4.44Å; E39-I87 WeakPolarHBondContact OE1-CD1 3.15Å; E39-R89 IonicContact OE2-CZ 3.45Å; E39-R89 IonicContact OE2-NE 3.42Å; E39-R89 PolarHBondContact OE2-NE 3.15Å; E39-R89 IonicContact OE2-NH2 2.71Å; E39-R89 PolarHBondContact OE2-NH2 3.32Å
40	K	47.9	Very low	42.3	Very low	86 Å²	86	88 Å²	88	37%	0.374	47%	0.465	S	S	.	.			trans	-82.9	127.7	167	-80	-160.5	-174.2	179.8	0	110	I13 L14	I13-K40 PolarHBondContact O-NZ 3.39Å; L14-K40 HydrophobicContact CD2-CB 4.3Å; L14-K40 HydrophobicContact CD2-CD 3.73Å; L14-K40 HydrophobicContact CD2-CG 3.76Å; L14-K40 PolarHBondContact O-NZ 3.12Å
41	Q	39	Very low	42.9	Very low	117 Å²	117	87.5 Å²	87.5	55%	0.547	46%	0.456	S	S	.	.			trans	-108.3	132.1	173.1	-60.7	-177.1	14.4	0	0	109.4	E39	E39-Q41 HydrophobicContact CG-CG 4.42Å; E39-Q41 PolarHBondContact OE1-NE2 3Å
42	G	39.3	Very low	43.3	Very low	23 Å²	23	84.2 Å²	84.2	24%	0.237	44%	0.442	C	S	.	.	S	Bend	trans	-177.8	163	178.4	0	0	0	0	0	111.3	F44 P65	G42-F44 WeakPolarHBondContact O-CD2 3.38Å; G42-F44 WeakPolarHBondContact O-CE2 3.49Å; G42-F44 PolarHBondContact O-N 3.45Å; G42-P65 VanDerWaalsContact O-O 3.11Å
43	P	41.1	Very low	43.6	Very low	114 Å²	114	82.9 Å²	82.9	74%	0.74	45%	0.45	S	S	*	.			trans	-69	114.5	170.7	28.4	-30.7	0	0	0	108.5
44	F	45.7	Very low	44	Very low	24 Å²	24	93.2 Å²	93.2	11%	0.105	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.3	177.8	-56.3	-71.8	0	0	0	108.7	I13 G42 I46 E64 L67	I13-F44 HydrophobicContact CD1-CD1 4.24Å; I13-F44 HydrophobicContact CG2-CD1 3.77Å; I13-F44 HydrophobicContact CG2-CE1 3.38Å; I13-F44 HydrophobicContact CG2-CZ 4.37Å; G42-F44 WeakPolarHBondContact O-CD2 3.38Å; G42-F44 WeakPolarHBondContact O-CE2 3.49Å; G42-F44 PolarHBondContact O-N 3.45Å; F44-I46 HydrophobicContact CB-CD1 4.45Å; F44-I46 HydrophobicContact CB-CG1 4.27Å; F44-I46 PolarHBondContact O-N 3.29Å; F44-E64 PolarHBondContact N-O 2.93Å; F44-L67 HydrophobicContact CB-CD1 3.49Å; F44-L67 VanDerWaalsContact CB-CD1 3.49Å; F44-L67 HydrophobicContact CB-CG 4.37Å; F44-L67 HydrophobicContact CD1-CD1 3.94Å; F44-L67 HydrophobicContact CD2-CB 3.61Å; F44-L67 HydrophobicContact CD2-CD1 3.4Å; F44-L67 HydrophobicContact CD2-CG 3.74Å; F44-L67 HydrophobicContact CE2-CB 3.65Å; F44-L67 HydrophobicContact CE2-CD1 4.07Å; F44-L67 HydrophobicContact CE2-CG 4.29Å; F44-L67 HydrophobicContact CG-CB 4.41Å; F44-L67 HydrophobicContact CG-CD1 3.32Å; F44-L67 HydrophobicContact CG-CG 4.17Å; F44-L67 HydrophobicContact CZ-CB 4.48Å
45	F	40.8	Very low	44.2	Very low	111 Å²	111	91 Å²	91	49%	0.487	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	110.4	167.8	-72.9	-86.1	0	0	0	107.3	T21 N63	T21-F45 HydrophobicContact CG2-CB 4.43Å; F45-N63 WeakPolarHBondContact CE1-OD1 3.36Å; F45-N63 WeakPolarHBondContact CZ-OD1 3.41Å
46	I	47.4	Very low	44.2	Very low	12 Å²	12	91.6 Å²	91.6	6%	0.062	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127	172.4	-53.2	178.5	0	0	0	108.7	I8 F44 N48 V62 L67 Y80	I8-I46 HydrophobicContact CB-CD1 4.35Å; I8-I46 HydrophobicContact CD1-CG2 3.36Å; I8-I46 HydrophobicContact CG1-CG2 4.26Å; I8-I46 HydrophobicContact CG2-CD1 4.22Å; I8-I46 HydrophobicContact CG2-CG2 4.14Å; F44-I46 HydrophobicContact CB-CD1 4.45Å; F44-I46 HydrophobicContact CB-CG1 4.27Å; F44-I46 PolarHBondContact O-N 3.29Å; I46-N48 PolarHBondContact O-N 2.95Å; I46-V62 PolarHBondContact O-N 2.84Å; I46-V62 VanDerWaalsContact O-N 3.08Å; I46-L67 HydrophobicContact CD1-CD1 3.31Å; I46-L67 HydrophobicContact CD1-CD2 3.69Å; I46-L67 HydrophobicContact CD1-CG 3.78Å; I46-L67 HydrophobicContact CG1-CD1 4.25Å; I46-Y80 HydrophobicContact CB-CE1 4.03Å; I46-Y80 WeakPolarHBondContact CB-OH 3.36Å; I46-Y80 HydrophobicContact CD1-CD1 4.18Å; I46-Y80 HydrophobicContact CD1-CE1 3.22Å; I46-Y80 HydrophobicContact CG1-CE1 4.1Å; I46-Y80 HydrophobicContact CG2-CE1 4.38Å; I46-Y80 WeakPolarHBondContact CG2-OH 3.12Å
47	N	44	Very low	44.1	Very low	68 Å²	68	91.6 Å²	91.6	36%	0.364	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	106.2	174.4	-66.7	-18.1	0	0	0	107.8	Y49 Y59	N47-Y49 PolarHBondContact O-N 3.45Å; N47-Y59 HydrophobicContact CB-CD1 3.68Å; N47-Y59 HydrophobicContact CB-CG 4.3Å
48	N	42.7	Very low	43.6	Very low	59 Å²	59	98 Å²	98	32%	0.316	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	127.5	167.5	-114.1	-14.9	0	0	0	107.7	I46 Y60 V62	I46-N48 PolarHBondContact O-N 2.95Å; N48-Y60 PolarHBondContact N-O 3.2Å; N48-Y60 VanDerWaalsContact N-O 3.13Å; N48-Y60 PolarHBondContact O-N 3.08Å; N48-V62 HydrophobicContact CB-CG2 3.77Å
49	Y	43.1	Very low	43.6	Very low	109 Å²	109	98.9 Å²	98.9	43%	0.427	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.5	169.8	50.2	-88.3	0	0	0	107.9	I8 N47	I8-Y49 HydrophobicContact CD1-CE1 4.44Å; N47-Y49 PolarHBondContact O-N 3.45Å
50	D	42	Very low	43.5	Very low	107 Å²	107	102.9 Å²	102.9	57%	0.572	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.6	166.9	-149.8	-5.3	0	0	0	107.5	G52	D50-G52 PolarHBondContact O-N 2.99Å
51	I	42.8	Very low	43.5	Very low	119 Å²	119	103.2 Å²	103.2	61%	0.61	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	81.6	168.9	-57.2	174.4	0	0	0	105.2
52	G	41.9	Very low	44.1	Very low	32 Å²	32	99.8 Å²	99.8	33%	0.33	50%	0.501	S	S	.	.			trans	-55.2	155.9	172.6	0	0	0	0	0	110.3	D50 R54 G55	D50-G52 PolarHBondContact O-N 2.99Å; G52-R54 PolarHBondContact O-N 3.38Å; G52-G55 PolarHBondContact O-N 3.24Å
53	T	43.4	Very low	44.5	Very low	157 Å²	157	104.8 Å²	104.8	96%	0.963	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-3.3	-177.9	43.3	0	0	0	0	116.1
54	R	47	Very low	45.1	Very low	233 Å²	233	101 Å²	101	88%	0.879	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	10.2	176.5	-67.9	-174.7	177.6	171.2	-0.3	114.6	G52 R56	G52-R54 PolarHBondContact O-N 3.38Å; R54-R56 PolarHBondContact O-N 3.22Å; R54-R56 VanDerWaalsContact O-N 3.15Å
55	G	45.7	Very low	45.4	Very low	63 Å²	63	101.8 Å²	101.8	65%	0.649	50%	0.502	S	S	*	.	S	Bend	trans	69	9.8	175.8	0	0	0	0	0	115.6	G52	G52-G55 PolarHBondContact O-N 3.24Å
56	R	41.1	Very low	45.9	Very low	210 Å²	210	99 Å²	99	79%	0.792	49%	0.49	S	S	*	.			trans	-96.2	117.3	171.2	-75.1	-172.1	179.3	179.6	0.2	109.7	R54 R58	R54-R56 PolarHBondContact O-N 3.22Å; R54-R56 VanDerWaalsContact O-N 3.15Å; R56-R58 PolarHBondContact O-N 3.34Å
57	M	42.7	Very low	46.5	Very low	110 Å²	110	98.6 Å²	98.6	54%	0.542	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	115.5	169.3	-77.6	175.3	173.9	0	0	109.2
58	R	41.2	Very low	47.2	Very low	167 Å²	167	96.7 Å²	96.7	63%	0.63	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.1	166.8	-84.5	-174.4	174	178.2	-2.2	108.6	R56 Y60	R56-R58 PolarHBondContact O-N 3.34Å; R58-Y60 HydrophobicContact CB-CD2 4.48Å; R58-Y60 HydrophobicContact CB-CE2 3.77Å; R58-Y60 WeakPolarHBondContact CD-OH 3.5Å
59	Y	47.9	Very low	48.2	Very low	122 Å²	122	94.4 Å²	94.4	48%	0.478	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	117.9	175.8	-61.3	-76.8	0	0	0	108.9	N47	N47-Y59 HydrophobicContact CB-CD1 3.68Å; N47-Y59 HydrophobicContact CB-CG 4.3Å
60	Y	47.3	Very low	49	Very low	118 Å²	118	92.2 Å²	92.2	46%	0.463	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.3	167.8	-60.2	-79.7	0	0	0	108.1	N48 R58 V62	N48-Y60 PolarHBondContact N-O 3.2Å; N48-Y60 VanDerWaalsContact N-O 3.13Å; N48-Y60 PolarHBondContact O-N 3.08Å; R58-Y60 HydrophobicContact CB-CD2 4.48Å; R58-Y60 HydrophobicContact CB-CE2 3.77Å; R58-Y60 WeakPolarHBondContact CD-OH 3.5Å; Y60-V62 PolarHBondContact O-N 3.09Å; Y60-V62 VanDerWaalsContact O-N 3.15Å
61	P	48.2	Very low	49.7	Very low	92 Å²	92	89.9 Å²	89.9	60%	0.597	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	114.9	174.6	26.3	-30.7	0	0	0	108.2
62	V	50.6	Low	50.4	Low	45 Å²	45	88.8 Å²	88.8	27%	0.273	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.8	173.6	-171.8	0	0	0	0	107.5	I46 N48 Y60 E64	I46-V62 PolarHBondContact O-N 2.84Å; I46-V62 VanDerWaalsContact O-N 3.08Å; N48-V62 HydrophobicContact CB-CG2 3.77Å; Y60-V62 PolarHBondContact O-N 3.09Å; Y60-V62 VanDerWaalsContact O-N 3.15Å; V62-E64 VanDerWaalsContact C-N 3.3Å; V62-E64 HydrophobicContact CB-CG 4.21Å; V62-E64 HydrophobicContact CG1-CG 3.5Å; V62-E64 PolarHBondContact O-N 3.11Å
63	N	48.5	Very low	50.9	Low	129 Å²	129	91.2 Å²	91.2	69%	0.69	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	87.4	171.5	-95.7	-24	0	0	0	108.9	F45	F45-N63 WeakPolarHBondContact CE1-OD1 3.36Å; F45-N63 WeakPolarHBondContact CZ-OD1 3.41Å
64	E	54	Low	51.2	Low	34 Å²	34	84.8 Å²	84.8	16%	0.159	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.8	175.4	-74	-123.9	-168.8	0	0	110.2	F44 V62 K66 Y80	F44-E64 PolarHBondContact N-O 2.93Å; V62-E64 VanDerWaalsContact C-N 3.3Å; V62-E64 HydrophobicContact CB-CG 4.21Å; V62-E64 HydrophobicContact CG1-CG 3.5Å; V62-E64 PolarHBondContact O-N 3.11Å; E64-K66 PolarHBondContact O-N 3Å; E64-Y80 HydrophobicContact CB-CD1 4.04Å; E64-Y80 HydrophobicContact CB-CE1 4.33Å; E64-Y80 HydrophobicContact CG-CD1 3.96Å; E64-Y80 HydrophobicContact CG-CE1 4.23Å; E64-Y80 VanDerWaalsContact OE2-CB 3.22Å; E64-Y80 WeakPolarHBondContact OE2-CB 3.43Å; E64-Y80 WeakPolarHBondContact OE2-CD1 3.26Å
65	P	50.8	Low	51.4	Low	41 Å²	41	78.4 Å²	78.4	27%	0.266	43%	0.425	S	S	.	.			trans	-83.1	-11.7	-165.9	31.7	-34.9	0	0	0	114	G42 K83	G42-P65 VanDerWaalsContact O-O 3.11Å; P65-K83 HydrophobicContact CB-CD 4.24Å; P65-K83 HydrophobicContact CB-CG 4.04Å; P65-K83 HydrophobicContact CG-CB 3.66Å; P65-K83 HydrophobicContact CG-CD 4.06Å; P65-K83 HydrophobicContact CG-CG 3.6Å
66	K	51.3	Low	51.9	Low	52 Å²	52	76.1 Å²	76.1	23%	0.226	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	122	-178.3	-97.3	-172.6	178.5	-164.2	0	112.2	E64 V81	E64-K66 PolarHBondContact O-N 3Å; K66-V81 HydrophobicContact CB-CB 3.88Å; K66-V81 HydrophobicContact CB-CG2 4.26Å; K66-V81 PolarHBondContact O-N 2.9Å
67	L	60.6	Low	52.5	Low	4 Å²	4	70.3 Å²	70.3	2%	0.021	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.9	158.5	-82.1	154.1	0	0	0	109.1	I13 F44 I46 C78 Y79 Y80	I13-L67 HydrophobicContact CD1-CD1 4.3Å; F44-L67 HydrophobicContact CB-CD1 3.49Å; F44-L67 VanDerWaalsContact CB-CD1 3.49Å; F44-L67 HydrophobicContact CB-CG 4.37Å; F44-L67 HydrophobicContact CD1-CD1 3.94Å; F44-L67 HydrophobicContact CD2-CB 3.61Å; F44-L67 HydrophobicContact CD2-CD1 3.4Å; F44-L67 HydrophobicContact CD2-CG 3.74Å; F44-L67 HydrophobicContact CE2-CB 3.65Å; F44-L67 HydrophobicContact CE2-CD1 4.07Å; F44-L67 HydrophobicContact CE2-CG 4.29Å; F44-L67 HydrophobicContact CG-CB 4.41Å; F44-L67 HydrophobicContact CG-CD1 3.32Å; F44-L67 HydrophobicContact CG-CG 4.17Å; F44-L67 HydrophobicContact CZ-CB 4.48Å; I46-L67 HydrophobicContact CD1-CD1 3.31Å; I46-L67 HydrophobicContact CD1-CD2 3.69Å; I46-L67 HydrophobicContact CD1-CG 3.78Å; I46-L67 HydrophobicContact CG1-CD1 4.25Å; L67-C78 HydrophobicContact CD2-CB 4.02Å; L67-Y79 WeakPolarHBondContact CA-O 3.15Å; L67-Y80 HydrophobicContact CD2-CD1 4.36Å; L67-Y80 HydrophobicContact CD2-CE1 4.47Å
68	I	58.9	Low	53.4	Low	28 Å²	28	65.1 Å²	65.1	14%	0.144	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.9	164.3	-58.2	160.7	0	0	0	107	E39 T70 C78 Y79 V81 I87	E39-I68 HydrophobicContact CG-CG2 4.44Å; I68-T70 HydrophobicContact CG2-CG2 4.26Å; I68-C78 CarbonylContact O-C 3.53Å; I68-C78 WeakPolarHBondContact O-CA 3.28Å; I68-Y79 PolarHBondContact N-O 2.96Å; I68-Y79 PolarHBondContact O-N 3.28Å; I68-V81 HydrophobicContact CB-CG2 4.41Å; I68-V81 HydrophobicContact CD1-CG2 3.26Å; I68-V81 HydrophobicContact CG1-CG2 3.46Å; I68-V81 VanDerWaalsContact CG1-CG2 3.46Å; I68-I87 HydrophobicContact CD1-CB 4.48Å; I68-I87 HydrophobicContact CD1-CD1 3.14Å; I68-I87 HydrophobicContact CD1-CG1 3.35Å; I68-I87 HydrophobicContact CD1-CG2 4.35Å; I68-I87 HydrophobicContact CG1-CD1 3.33Å; I68-I87 HydrophobicContact CG1-CG1 4.14Å
69	C	62.9	Low	54.2	Low	10 Å²	10	60.5 Å²	60.5	7%	0.068	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.3	170.3	-64.6	0	0	0	0	110.3	C10 L14 I37 I76 K77 C78	C10-C69 VanDerWaalsContact CB-SG 3.57Å; L14-C69 HydrophobicContact CD1-CB 3.88Å; I37-C69 HydrophobicContact CG2-CB 4.32Å; C69-I76 HydrophobicContact CB-CG2 4.15Å; C69-K77 CarbonylContact C-O 3.59Å; C69-K77 VanDerWaalsContact CA-O 3.31Å; C69-K77 WeakPolarHBondContact CA-O 3.46Å; C69-C78 VanDerWaalsContact CA-SG 3.56Å; C69-C78 HydrophobicContact CB-CB 4.17Å; C69-C78 WeakPolarHBondContact CB-SG 3.42Å; C69-C78 WeakPolarHBondContact SG-CB 3.36Å; C69-C78 CovalentContact SG-SG 2.04Å; C69-C78 PolarHBondContact SG-SG 3.02Å
70	T	59.6	Low	54.7	Low	63 Å²	63	57.1 Å²	57.1	39%	0.387	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.1	171.4	64.6	0	0	0	0	109.2	I68 I76 K77 Y79	I68-T70 HydrophobicContact CG2-CG2 4.26Å; T70-I76 CarbonylContact O-C 3.48Å; T70-I76 WeakPolarHBondContact O-CA 3.48Å; T70-K77 PolarHBondContact N-O 2.97Å; T70-K77 PolarHBondContact O-N 3.19Å; T70-Y79 HydrophobicContact CG2-CE2 4.4Å
71	Q	57.3	Low	55.1	Low	58 Å²	58	52.1 Å²	52.1	27%	0.271	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.1	178.4	-171.2	-174.3	2.9	0	0	109.7	A33 I75 I76	A33-Q71 VanDerWaalsContact CB-NE2 3.29Å; Q71-I75 WeakPolarHBondContact CA-O 3.02Å; Q71-I76 HydrophobicContact CB-CG1 4.41Å; Q71-I76 HydrophobicContact CG-CG1 4.07Å
72	S	56.7	Low	55.1	Low	97 Å²	97	53.6 Å²	53.6	68%	0.678	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	129	175.8	-176.3	0	0	0	0	110.1	G74 I75	S72-G74 PolarHBondContact O-N 3.15Å; S72-G74 VanDerWaalsContact O-N 3.15Å; S72-I75 PolarHBondContact N-O 2.97Å; S72-I75 PolarHBondContact O-N 2.97Å
73	G	53.9	Low	54.9	Low	83 Å²	83	60.2 Å²	60.2	86%	0.856	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	23.7	179.6	0	0	0	0	0	114.9	I75	G73-I75 VanDerWaalsContact C-N 3.3Å
74	G	49.4	Very low	54.7	Low	21 Å²	21	57.8 Å²	57.8	22%	0.216	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-9.7	-174.3	0	0	0	0	0	114.7	S72	S72-G74 PolarHBondContact O-N 3.15Å; S72-G74 VanDerWaalsContact O-N 3.15Å
75	I	51	Low	54.3	Low	100 Å²	100	59.6 Å²	59.6	51%	0.513	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	127.7	176.6	-56	173.8	0	0	0	108.9	Q71 S72 G73 K77	Q71-I75 WeakPolarHBondContact CA-O 3.02Å; S72-I75 PolarHBondContact N-O 2.97Å; S72-I75 PolarHBondContact O-N 2.97Å; G73-I75 VanDerWaalsContact C-N 3.3Å; I75-K77 HydrophobicContact CG2-CG 4.2Å
76	I	56.6	Low	54.1	Low	14 Å²	14	68.7 Å²	68.7	7%	0.072	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121	172.2	-58.4	172	0	0	0	107.8	L14 T29 I37 C69 T70 Q71	L14-I76 HydrophobicContact CD1-CG2 4Å; T29-I76 HydrophobicContact CG2-CD1 4.19Å; I37-I76 HydrophobicContact CD1-CD1 3.49Å; I37-I76 VanDerWaalsContact CD1-CD1 3.49Å; I37-I76 HydrophobicContact CD1-CG1 3.95Å; I37-I76 HydrophobicContact CD1-CG2 4.48Å; C69-I76 HydrophobicContact CB-CG2 4.15Å; T70-I76 CarbonylContact O-C 3.48Å; T70-I76 WeakPolarHBondContact O-CA 3.48Å; Q71-I76 HydrophobicContact CB-CG1 4.41Å; Q71-I76 HydrophobicContact CG-CG1 4.07Å
77	K	54.2	Low	54	Low	89 Å²	89	69.1 Å²	69.1	39%	0.387	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.4	173.8	-67.3	-176.4	177.9	-174.6	0	108.8	Y7 C69 T70 I75 Y79	Y7-K77 HydrophobicContact CD1-CB 4.47Å; Y7-K77 HydrophobicContact CD1-CG 4.48Å; Y7-K77 HydrophobicContact CE1-CB 4.39Å; Y7-K77 HydrophobicContact CE1-CD 4.02Å; Y7-K77 HydrophobicContact CE1-CG 4.3Å; C69-K77 CarbonylContact C-O 3.59Å; C69-K77 VanDerWaalsContact CA-O 3.31Å; C69-K77 WeakPolarHBondContact CA-O 3.46Å; T70-K77 PolarHBondContact N-O 2.97Å; T70-K77 PolarHBondContact O-N 3.19Å; I75-K77 HydrophobicContact CG2-CG 4.2Å; K77-Y79 HydrophobicContact CB-CE2 4.07Å; K77-Y79 WeakPolarHBondContact CD-OH 3.31Å
78	C	60.9	Low	53.4	Low	1 Å²	1	75.7 Å²	75.7	1%	0.007	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142	176.4	-52.3	0	0	0	0	112.4	I8 C10 L67 I68 C69	I8-C78 WeakPolarHBondContact O-CB 3.34Å; C10-C78 HydrophobicContact CB-CB 4.26Å; C10-C78 WeakPolarHBondContact CB-SG 3.45Å; C10-C78 WeakPolarHBondContact SG-CB 3.1Å; C10-C78 PolarHBondContact SG-SG 3.48Å; L67-C78 HydrophobicContact CD2-CB 4.02Å; I68-C78 CarbonylContact O-C 3.53Å; I68-C78 WeakPolarHBondContact O-CA 3.28Å; C69-C78 VanDerWaalsContact CA-SG 3.56Å; C69-C78 HydrophobicContact CB-CB 4.17Å; C69-C78 WeakPolarHBondContact CB-SG 3.42Å; C69-C78 WeakPolarHBondContact SG-CB 3.36Å; C69-C78 CovalentContact SG-SG 2.04Å; C69-C78 PolarHBondContact SG-SG 3.02Å
79	Y	57.9	Low	52.9	Low	70 Å²	70	82.3 Å²	82.3	28%	0.275	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140.6	-174.2	-48.1	-86.2	0	0	0	110	L5 Y7 L67 I68 T70 K77	L5-Y79 HydrophobicContact CD2-CD1 4.42Å; Y7-Y79 AromaticContact CE1-CE1 3.84Å; Y7-Y79 HydrophobicContact CE1-CE1 3.84Å; L67-Y79 WeakPolarHBondContact CA-O 3.15Å; I68-Y79 PolarHBondContact N-O 2.96Å; I68-Y79 PolarHBondContact O-N 3.28Å; T70-Y79 HydrophobicContact CG2-CE2 4.4Å; K77-Y79 HydrophobicContact CB-CE2 4.07Å; K77-Y79 WeakPolarHBondContact CD-OH 3.31Å
80	Y	58.4	Low	52.4	Low	50 Å²	50	88.5 Å²	88.5	20%	0.196	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	141.3	171.2	-69.2	-69.8	0	0	0	111.9	P6 I8 I46 E64 L67	P6-Y80 HydrophobicContact CG-CD2 4.43Å; P6-Y80 HydrophobicContact CG-CE2 4.15Å; I8-Y80 HydrophobicContact CD1-CE2 4.42Å; I8-Y80 WeakPolarHBondContact CD1-OH 3.29Å; I8-Y80 HydrophobicContact CG1-CE2 3.87Å; I8-Y80 VanDerWaalsContact CG1-OH 3.25Å; I8-Y80 WeakPolarHBondContact CG1-OH 3.42Å; I46-Y80 HydrophobicContact CB-CE1 4.03Å; I46-Y80 WeakPolarHBondContact CB-OH 3.36Å; I46-Y80 HydrophobicContact CD1-CD1 4.18Å; I46-Y80 HydrophobicContact CD1-CE1 3.22Å; I46-Y80 HydrophobicContact CG1-CE1 4.1Å; I46-Y80 HydrophobicContact CG2-CE1 4.38Å; I46-Y80 WeakPolarHBondContact CG2-OH 3.12Å; E64-Y80 HydrophobicContact CB-CD1 4.04Å; E64-Y80 HydrophobicContact CB-CE1 4.33Å; E64-Y80 HydrophobicContact CG-CD1 3.96Å; E64-Y80 HydrophobicContact CG-CE1 4.23Å; E64-Y80 VanDerWaalsContact OE2-CB 3.22Å; E64-Y80 WeakPolarHBondContact OE2-CB 3.43Å; E64-Y80 WeakPolarHBondContact OE2-CD1 3.26Å; L67-Y80 HydrophobicContact CD2-CD1 4.36Å; L67-Y80 HydrophobicContact CD2-CE1 4.47Å
81	V	54.5	Low	52.4	Low	14 Å²	14	90.4 Å²	90.4	9%	0.085	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	119.5	179.1	-160.2	0	0	0	0	108.7	K66 I68 T85	K66-V81 HydrophobicContact CB-CB 3.88Å; K66-V81 HydrophobicContact CB-CG2 4.26Å; K66-V81 PolarHBondContact O-N 2.9Å; I68-V81 HydrophobicContact CB-CG2 4.41Å; I68-V81 HydrophobicContact CD1-CG2 3.26Å; I68-V81 HydrophobicContact CG1-CG2 3.46Å; I68-V81 VanDerWaalsContact CG1-CG2 3.46Å; V81-T85 VanDerWaalsContact CG1-CB 3.48Å; V81-T85 WeakPolarHBondContact CG1-OG1 3.44Å
82	N	49.9	Very low	52.8	Low	122 Å²	122	90.1 Å²	90.1	65%	0.652	48%	0.484	S	S	*	.			trans	-58.5	152.9	176.7	-95.9	-28.5	0	0	0	111.8	G84 T85	N82-G84 PolarHBondContact O-N 2.84Å; N82-G84 VanDerWaalsContact O-N 3.09Å; N82-T85 PolarHBondContact N-OG1 2.95Å; N82-T85 PolarHBondContact O-N 3.06Å; N82-T85 VanDerWaalsContact O-N 3.16Å; N82-T85 PolarHBondContact O-OG1 2.71Å
83	K	45.6	Very low	53.6	Low	185 Å²	185	90.6 Å²	90.6	80%	0.804	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	116.8	173.8	-138.7	165.8	-174	-177.4	0	108.5	P65	P65-K83 HydrophobicContact CB-CD 4.24Å; P65-K83 HydrophobicContact CB-CG 4.04Å; P65-K83 HydrophobicContact CG-CB 3.66Å; P65-K83 HydrophobicContact CG-CD 4.06Å; P65-K83 HydrophobicContact CG-CG 3.6Å
84	G	44.6	Very low	54.5	Low	77 Å²	77	94.4 Å²	94.4	79%	0.794	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.3	-16.3	179.4	0	0	0	0	0	115.3	N82 R86	N82-G84 PolarHBondContact O-N 2.84Å; N82-G84 VanDerWaalsContact O-N 3.09Å; G84-R86 PolarHBondContact O-N 3.44Å
85	T	46.2	Very low	56	Low	73 Å²	73	97.3 Å²	97.3	45%	0.448	48%	0.482	S	S	.	.			trans	-72.5	104.8	174.3	8.8	0	0	0	0	110.4	V81 N82	V81-T85 VanDerWaalsContact CG1-CB 3.48Å; V81-T85 WeakPolarHBondContact CG1-OG1 3.44Å; N82-T85 PolarHBondContact N-OG1 2.95Å; N82-T85 PolarHBondContact O-N 3.06Å; N82-T85 VanDerWaalsContact O-N 3.16Å; N82-T85 PolarHBondContact O-OG1 2.71Å
86	R	45.8	Very low	57.5	Low	231 Å²	231	97.2 Å²	97.2	87%	0.872	48%	0.482	S	S	*	.			trans	-75.8	125.5	168.6	-80.5	-167.6	177.3	-166.4	0.7	109.1	G84 Q88	G84-R86 PolarHBondContact O-N 3.44Å; R86-Q88 PolarHBondContact O-N 3.42Å; R86-Q88 VanDerWaalsContact O-N 3.15Å
87	I	49.8	Very low	59	Low	61 Å²	61	104.2 Å²	104.2	31%	0.313	51%	0.508	S	S	.	.			trans	-79.1	101.9	174.5	-56.4	146.2	0	0	0	106.6	E39 I68 R89	E39-I87 WeakPolarHBondContact OE1-CD1 3.15Å; I68-I87 HydrophobicContact CD1-CB 4.48Å; I68-I87 HydrophobicContact CD1-CD1 3.14Å; I68-I87 HydrophobicContact CD1-CG1 3.35Å; I68-I87 HydrophobicContact CD1-CG2 4.35Å; I68-I87 HydrophobicContact CG1-CD1 3.33Å; I68-I87 HydrophobicContact CG1-CG1 4.14Å; I87-R89 PolarHBondContact O-N 3.11Å; I87-R89 VanDerWaalsContact O-N 3.11Å
88	Q	47	Very low	60.6	Low	142 Å²	142	105.4 Å²	105.4	66%	0.664	52%	0.518	S	S	*	.			trans	-73.8	102	169.4	-76.3	-176.2	-5.9	0	0	107.8	R86 F90	R86-Q88 PolarHBondContact O-N 3.42Å; R86-Q88 VanDerWaalsContact O-N 3.15Å; Q88-F90 VanDerWaalsContact C-N 3.3Å; Q88-F90 HydrophobicContact CB-CD2 4.2Å; Q88-F90 HydrophobicContact CB-CE2 3.83Å; Q88-F90 HydrophobicContact CB-CZ 4.4Å; Q88-F90 WeakPolarHBondContact O-CD2 3.25Å; Q88-F90 PolarHBondContact O-N 2.04Å; Q88-F90 VanDerWaalsContact OE1-CZ 3.31Å
89	R	49.3	Very low	62	Low	167 Å²	167	110.4 Å²	110.4	63%	0.63	54%	0.544	S	S	*	.			trans	-68.2	95.2	165.2	-70	-174.8	-174.9	176.9	1.6	107.4	E39 I87 N91	E39-R89 IonicContact OE2-CZ 3.45Å; E39-R89 IonicContact OE2-NE 3.42Å; E39-R89 PolarHBondContact OE2-NE 3.15Å; E39-R89 IonicContact OE2-NH2 2.71Å; E39-R89 PolarHBondContact OE2-NH2 3.32Å; I87-R89 PolarHBondContact O-N 3.11Å; I87-R89 VanDerWaalsContact O-N 3.11Å; R89-N91 PolarHBondContact O-N 3.29Å
90	F	52.3	Low	63.6	Low	141 Å²	141	111.6 Å²	111.6	62%	0.618	55%	0.554	S	S	*	*			trans	-67.4	104	169.2	-78.4	-82	0	0	0	107.8	Q88 G92 L95	Q88-F90 VanDerWaalsContact C-N 3.3Å; Q88-F90 HydrophobicContact CB-CD2 4.2Å; Q88-F90 HydrophobicContact CB-CE2 3.83Å; Q88-F90 HydrophobicContact CB-CZ 4.4Å; Q88-F90 WeakPolarHBondContact O-CD2 3.25Å; Q88-F90 PolarHBondContact O-N 2.04Å; Q88-F90 VanDerWaalsContact OE1-CZ 3.31Å; F90-G92 PolarHBondContact O-N 3.46Å; F90-G92 VanDerWaalsContact O-N 3.09Å; F90-L95 HydrophobicContact CB-CD1 4.36Å; F90-L95 HydrophobicContact CD1-CD1 3.48Å; F90-L95 VanDerWaalsContact CD1-CD1 3.48Å; F90-L95 HydrophobicContact CE1-CD1 4.07Å; F90-L95 HydrophobicContact CG-CD1 4.13Å
91	N	59.9	Low	65.3	Low	102 Å²	102	113.8 Å²	113.8	55%	0.545	57%	0.568	S	S	.	*			trans	-64.8	111.1	169.3	-175.4	-11.1	0	0	0	106.7	R89 N93 K94 L95	R89-N91 PolarHBondContact O-N 3.29Å; N91-N93 PolarHBondContact O-N 3.32Å; N91-N93 PolarHBondContact OD1-N 2.83Å; N91-K94 HydrophobicContact CB-CB 4.3Å; N91-K94 WeakPolarHBondContact O-CA 3.35Å; N91-K94 WeakPolarHBondContact O-CB 3.08Å; N91-K94 PolarHBondContact O-N 3.08Å; N91-L95 PolarHBondContact O-N 2.81Å; N91-L95 VanDerWaalsContact O-N 3.11Å
92	G	65.3	Low	67.1	Low	52 Å²	52	118 Å²	118	54%	0.536	59%	0.59	S	S	.	*	H	α-helix	trans	-51.8	-32.8	-175.9	0	0	0	0	0	112.5	F90 L95 L96	F90-G92 PolarHBondContact O-N 3.46Å; F90-G92 VanDerWaalsContact O-N 3.09Å; G92-L95 PolarHBondContact O-N 2.97Å; G92-L96 WeakPolarHBondContact O-CB 2.94Å; G92-L96 PolarHBondContact O-N 3.12Å
93	N	73.1	Confident	69.1	Low	107 Å²	107	116.9 Å²	116.9	57%	0.572	58%	0.584	S	S	*	*	H	α-helix	trans	-66.1	-41.1	175.7	-124.1	18.3	0	0	0	112.9	N91 L95 L96 W97	N91-N93 PolarHBondContact O-N 3.32Å; N91-N93 PolarHBondContact OD1-N 2.83Å; N93-L95 VanDerWaalsContact C-N 3.34Å; N93-L96 PolarHBondContact O-N 2.8Å; N93-W97 VanDerWaalsContact O-CD1 3.3Å; N93-W97 PolarHBondContact O-N 3.07Å
94	K	72.9	Confident	71.4	Confident	163 Å²	163	114.8 Å²	114.8	71%	0.709	58%	0.575	S	S	*	*	H	α-helix	trans	-64.6	-41.2	174.3	-94.4	-171.9	173	-176.9	0	111.1	N91 L96 W97 L98	N91-K94 HydrophobicContact CB-CB 4.3Å; N91-K94 WeakPolarHBondContact O-CA 3.35Å; N91-K94 WeakPolarHBondContact O-CB 3.08Å; N91-K94 PolarHBondContact O-N 3.08Å; K94-L96 VanDerWaalsContact C-N 3.34Å; K94-W97 PolarHBondContact O-N 3.2Å; K94-L98 WeakPolarHBondContact O-CB 3.45Å; K94-L98 PolarHBondContact O-N 3.32Å
95	L	80.5	Confident	73.8	Confident	83 Å²	83	115.5 Å²	115.5	44%	0.435	56%	0.56	S	S	.	*	H	α-helix	trans	-64.3	-41.5	178.9	-155	107.1	0	0	0	111.2	F90 N91 G92 N93 L98 L99	F90-L95 HydrophobicContact CB-CD1 4.36Å; F90-L95 HydrophobicContact CD1-CD1 3.48Å; F90-L95 VanDerWaalsContact CD1-CD1 3.48Å; F90-L95 HydrophobicContact CE1-CD1 4.07Å; F90-L95 HydrophobicContact CG-CD1 4.13Å; N91-L95 PolarHBondContact O-N 2.81Å; N91-L95 VanDerWaalsContact O-N 3.11Å; G92-L95 PolarHBondContact O-N 2.97Å; N93-L95 VanDerWaalsContact C-N 3.34Å; L95-L98 PolarHBondContact O-N 3.1Å; L95-L99 HydrophobicContact CD2-CD1 4.18Å; L95-L99 WeakPolarHBondContact O-CG 2.96Å; L95-L99 PolarHBondContact O-N 3.13Å
96	L	82.6	Confident	76	Confident	98 Å²	98	119.6 Å²	119.6	51%	0.513	57%	0.569	S	S	.	*	H	α-helix	trans	-60.9	-47.5	176.3	-164.7	101.6	0	0	0	111.8	G92 N93 K94 L98 L99 L100	G92-L96 WeakPolarHBondContact O-CB 2.94Å; G92-L96 PolarHBondContact O-N 3.12Å; N93-L96 PolarHBondContact O-N 2.8Å; K94-L96 VanDerWaalsContact C-N 3.34Å; L96-L98 VanDerWaalsContact C-N 3.31Å; L96-L98 PolarHBondContact O-N 2.97Å; L96-L99 PolarHBondContact O-N 3.06Å; L96-L100 HydrophobicContact CD2-CD1 4.23Å; L96-L100 HydrophobicContact CG-CD1 4.5Å; L96-L100 PolarHBondContact O-N 3.27Å
97	W	87.7	Confident	78.1	Confident	161 Å²	161	113.7 Å²	113.7	61%	0.61	55%	0.554	S	S	*	*	H	α-helix	trans	-60.6	-40.7	175.6	-89.9	105	0	0	0	112.4	N93 K94 L99 L100 I101	N93-W97 VanDerWaalsContact O-CD1 3.3Å; N93-W97 PolarHBondContact O-N 3.07Å; K94-W97 PolarHBondContact O-N 3.2Å; W97-L99 VanDerWaalsContact C-N 3.34Å; W97-L99 PolarHBondContact O-N 2.93Å; W97-L100 PolarHBondContact O-N 3.29Å; W97-I101 VanDerWaalsContact O-CG1 3.29Å; W97-I101 WeakPolarHBondContact O-CG1 3.03Å; W97-I101 PolarHBondContact O-N 3.45Å
98	L	88.5	Confident	80.1	Confident	113 Å²	113	115.3 Å²	115.3	59%	0.592	56%	0.562	S	S	*	*	H	α-helix	trans	-66	-38.3	179.9	-148.8	143.2	0	0	0	111.4	K94 L95 L96 L102	K94-L98 WeakPolarHBondContact O-CB 3.45Å; K94-L98 PolarHBondContact O-N 3.32Å; L95-L98 PolarHBondContact O-N 3.1Å; L96-L98 VanDerWaalsContact C-N 3.31Å; L96-L98 PolarHBondContact O-N 2.97Å; L98-L102 HydrophobicContact CD2-CD1 4.07Å; L98-L102 WeakPolarHBondContact O-CB 3.13Å; L98-L102 PolarHBondContact O-N 3.28Å; L98-L102 VanDerWaalsContact O-N 3.08Å
99	L	89.9	Confident	82.2	Confident	106 Å²	106	114.1 Å²	114.1	56%	0.555	56%	0.56	S	S	*	*	H	α-helix	trans	-67.1	-40.6	173.3	-74.6	166.3	0	0	0	112.7	L95 L96 W97 L102 N103	L95-L99 HydrophobicContact CD2-CD1 4.18Å; L95-L99 WeakPolarHBondContact O-CG 2.96Å; L95-L99 PolarHBondContact O-N 3.13Å; L96-L99 PolarHBondContact O-N 3.06Å; W97-L99 VanDerWaalsContact C-N 3.34Å; W97-L99 PolarHBondContact O-N 2.93Å; L99-L102 PolarHBondContact O-N 3.42Å; L99-N103 WeakPolarHBondContact O-CB 3.5Å; L99-N103 PolarHBondContact O-N 3.42Å
100	L	92.1	Very high	83.9	Confident	95 Å²	95	110 Å²	110	50%	0.497	56%	0.557	S	S	.	*	H	α-helix	trans	-62.5	-44.4	176	-82.4	162.9	0	0	0	111.8	L96 W97 N103 F104	L96-L100 HydrophobicContact CD2-CD1 4.23Å; L96-L100 HydrophobicContact CG-CD1 4.5Å; L96-L100 PolarHBondContact O-N 3.27Å; W97-L100 PolarHBondContact O-N 3.29Å; L100-N103 PolarHBondContact O-N 2.77Å; L100-F104 PolarHBondContact O-N 3.24Å
101	I	93.8	Very high	84.8	Confident	96 Å²	96	114.4 Å²	114.4	49%	0.492	57%	0.569	S	S	.	*	H	α-helix	trans	-62.4	-44.1	177.2	-68.7	165.3	0	0	0	110.7	W97 N103 F104 L105	W97-I101 VanDerWaalsContact O-CG1 3.29Å; W97-I101 WeakPolarHBondContact O-CG1 3.03Å; W97-I101 PolarHBondContact O-N 3.45Å; I101-N103 VanDerWaalsContact C-N 3.33Å; I101-N103 PolarHBondContact O-N 2.67Å; I101-F104 PolarHBondContact O-N 3.34Å; I101-L105 HydrophobicContact CG2-CD1 4.01Å; I101-L105 PolarHBondContact O-N 3.41Å
102	L	93.4	Very high	84.7	Confident	104 Å²	104	122.2 Å²	122.2	55%	0.545	59%	0.593	S	S	.	*	H	α-helix	trans	-59.3	-43.2	175.9	-105.8	154.3	0	0	0	112.2	L98 L99 L105 Y106	L98-L102 HydrophobicContact CD2-CD1 4.07Å; L98-L102 WeakPolarHBondContact O-CB 3.13Å; L98-L102 PolarHBondContact O-N 3.28Å; L98-L102 VanDerWaalsContact O-N 3.08Å; L99-L102 PolarHBondContact O-N 3.42Å; L102-L105 PolarHBondContact O-N 2.99Å; L102-Y106 WeakPolarHBondContact O-CB 3.22Å; L102-Y106 PolarHBondContact O-N 2.99Å
103	N	92.1	Very high	85.6	Confident	98 Å²	98	125.8 Å²	125.8	52%	0.524	60%	0.596	S	S	.	*	H	α-helix	trans	-67.4	-38.6	178.8	-155.5	-18	0	0	0	111.7	L99 L100 I101 Y106 L107	L99-N103 WeakPolarHBondContact O-CB 3.5Å; L99-N103 PolarHBondContact O-N 3.42Å; L100-N103 PolarHBondContact O-N 2.77Å; I101-N103 VanDerWaalsContact C-N 3.33Å; I101-N103 PolarHBondContact O-N 2.67Å; N103-Y106 PolarHBondContact O-N 3.16Å; N103-L107 PolarHBondContact O-N 3.09Å
104	F	92.6	Very high	86.3	Confident	141 Å²	141	126.7 Å²	126.7	62%	0.618	60%	0.597	S	S	*	*	H	α-helix	trans	-65.7	-42.9	175.6	-159.6	-92	0	0	0	112.4	L100 I101 Y106 L107 L108	L100-F104 PolarHBondContact O-N 3.24Å; I101-F104 PolarHBondContact O-N 3.34Å; F104-Y106 VanDerWaalsContact C-N 3.33Å; F104-L107 PolarHBondContact O-N 3.45Å; F104-L108 HydrophobicContact CD1-CD1 3.72Å; F104-L108 HydrophobicContact CE1-CD1 3.63Å; F104-L108 HydrophobicContact CE1-CG 4.39Å; F104-L108 PolarHBondContact O-N 3.08Å
105	L	94.5	Very high	87	Confident	91 Å²	91	124.7 Å²	124.7	48%	0.476	59%	0.591	S	S	.	*	H	α-helix	trans	-60.9	-42.5	173.3	-84.6	162.2	0	0	0	111.7	I101 L102 L108 I109	I101-L105 HydrophobicContact CG2-CD1 4.01Å; I101-L105 PolarHBondContact O-N 3.41Å; L102-L105 PolarHBondContact O-N 2.99Å; L105-L108 PolarHBondContact O-N 3.13Å; L105-I109 WeakPolarHBondContact O-CG1 3.02Å; L105-I109 PolarHBondContact O-N 3.2Å
106	Y	93.6	Very high	87.4	Confident	160 Å²	160	127.2 Å²	127.2	63%	0.627	60%	0.6	S	S	*	*	H	α-helix	trans	-60.7	-45.8	176.4	-179.8	-97.8	0	0	0	111.9	L102 N103 F104 L108 I109 S110	L102-Y106 WeakPolarHBondContact O-CB 3.22Å; L102-Y106 PolarHBondContact O-N 2.99Å; N103-Y106 PolarHBondContact O-N 3.16Å; F104-Y106 VanDerWaalsContact C-N 3.33Å; Y106-L108 VanDerWaalsContact C-N 3.33Å; Y106-L108 PolarHBondContact O-N 3.25Å; Y106-I109 PolarHBondContact O-N 2.95Å; Y106-S110 VanDerWaalsContact O-CB 3.24Å; Y106-S110 WeakPolarHBondContact O-CB 3.35Å; Y106-S110 PolarHBondContact O-N 3.15Å
107	L	90.4	Very high	87.7	Confident	107 Å²	107	129 Å²	129	56%	0.56	61%	0.605	S	S	*	*	H	α-helix	trans	-62.5	-37.8	176.1	-80.6	162.7	0	0	0	113	N103 F104 R111	N103-L107 PolarHBondContact O-N 3.09Å; F104-L107 PolarHBondContact O-N 3.45Å; L107-R111 PolarHBondContact O-N 3.15Å
108	L	91	Very high	87.7	Confident	94 Å²	94	126.9 Å²	126.9	49%	0.492	61%	0.605	S	S	.	*	H	α-helix	trans	-64.5	-47.6	176.2	-100.7	159.5	0	0	0	111.9	F104 L105 Y106 R111	F104-L108 HydrophobicContact CD1-CD1 3.72Å; F104-L108 HydrophobicContact CE1-CD1 3.63Å; F104-L108 HydrophobicContact CE1-CG 4.39Å; F104-L108 PolarHBondContact O-N 3.08Å; L105-L108 PolarHBondContact O-N 3.13Å; Y106-L108 VanDerWaalsContact C-N 3.33Å; Y106-L108 PolarHBondContact O-N 3.25Å; L108-R111 PolarHBondContact O-N 3.32Å
109	I	91.5	Very high	87.7	Confident	118 Å²	118	127.9 Å²	127.9	61%	0.605	61%	0.606	S	S	*	*	H	α-helix	trans	-70.5	-39.1	-179.1	-64.4	165.5	0	0	0	110.6	L105 Y106 R111 Y112	L105-I109 WeakPolarHBondContact O-CG1 3.02Å; L105-I109 PolarHBondContact O-N 3.2Å; Y106-I109 PolarHBondContact O-N 2.95Å; I109-R111 PolarHBondContact O-N 2.94Å; I109-R111 VanDerWaalsContact O-N 3.12Å; I109-Y112 PolarHBondContact O-N 2.74Å; I109-Y112 VanDerWaalsContact O-N 3.08Å; I109-Y112 VanDerWaalsContact O-OXT 3.04Å
110	S	84.1	Confident	87.5	Confident	81 Å²	81	129.5 Å²	129.5	57%	0.566	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-11.4	179.9	-172.2	0	0	0	0	113.9	Y106	Y106-S110 VanDerWaalsContact O-CB 3.24Å; Y106-S110 WeakPolarHBondContact O-CB 3.35Å; Y106-S110 PolarHBondContact O-N 3.15Å
111	R	72.4	Confident	87.1	Confident	233 Å²	233	132.4 Å²	132.4	88%	0.879	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-11.2	175.5	-126.4	-176.6	-174	-177	2.2	113.2	L107 L108 I109	L107-R111 PolarHBondContact O-N 3.15Å; L108-R111 PolarHBondContact O-N 3.32Å; I109-R111 PolarHBondContact O-N 2.94Å; I109-R111 VanDerWaalsContact O-N 3.12Å
112	Y	56	Low	86.5	Confident	266 Å²	266	135.7 Å²	135.7	100%	1.043	63%	0.631	S	S	*	*			trans	-99.6	0	172.9	-99.3	-83.8	0	0	0	110.3	I109	I109-Y112 PolarHBondContact O-N 2.74Å; I109-Y112 VanDerWaalsContact O-N 3.08Å; I109-Y112 VanDerWaalsContact O-OXT 3.04Å

Retrieved 112 of 112 residues in 67.5 ms (Link to these results)

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