A0A077Z9A0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z9A0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 111 aa.

						>A0A077Z9A0_TRITR|A0A077Z9A0
MHIHVPSASCYTPREKHWSSGGQAQKKPYPSFLQSEGKLEFFSRKPVKSVFIQKATVESVNIKATDLSVVIEKATNQADFITSAANSSCSIKGAPDNYSLFQKEESPASHN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	17.1	Very low	29.4	Very low	212 Å²	212	100 Å²	100	100%	1.044	53%	0.533	S	S	*	.				0	112.7	0	-175.1	179.5	-128.1	0	0	105
2	H	19.2	Very low	30.2	Very low	180 Å²	180	94.5 Å²	94.5	83%	0.833	51%	0.506	S	S	*	.			trans	-102.3	126	-175.1	-66.4	-177.6	0	0	0	109.1	E36	H2-E36 VanDerWaalsContact CA-OE1 3.25Å; H2-E36 WeakPolarHBondContact CA-OE1 3.31Å
3	I	19.5	Very low	30.8	Very low	121 Å²	121	92.2 Å²	92.2	62%	0.621	50%	0.499	S	S	*	.			trans	-108.1	130.7	177.8	-58.1	177.4	0	0	0	109.9	E36	I3-E36 PolarHBondContact N-OE1 3.39Å
4	H	21.9	Very low	30.9	Very low	178 Å²	178	99 Å²	99	82%	0.824	51%	0.514	S	S	*	.			trans	-87.1	118.8	-172.3	-162.7	-155.7	0	0	0	110.3
5	V	27.4	Very low	30.8	Very low	47 Å²	47	102.6 Å²	102.6	29%	0.285	53%	0.528	S	S	.	.			trans	-112.5	122.8	178.1	-173.9	0	0	0	0	110.1	S7 T56	V5-S7 PolarHBondContact O-N 3.48Å; V5-T56 HydrophobicContact CG1-CG2 4.42Å
6	P	30.4	Very low	30.8	Very low	116 Å²	116	106.6 Å²	106.6	75%	0.753	54%	0.54	S	S	*	.			trans	-86.7	-6.8	-146.8	-15	32.6	0	0	0	118.2
7	S	37.5	Very low	30.6	Very low	68 Å²	68	110.5 Å²	110.5	48%	0.476	56%	0.556	S	S	.	*			trans	-179	123.7	171.6	36.1	0	0	0	0	113.5	V5	V5-S7 PolarHBondContact O-N 3.48Å
8	A	36.4	Very low	30.3	Very low	22 Å²	22	115.9 Å²	115.9	18%	0.182	57%	0.568	C	S	.	*			trans	-106.2	126.5	149.5	0	0	0	0	0	108.9	L39 K54 A55	A8-L39 HydrophobicContact CB-CD1 4.13Å; A8-K54 WeakPolarHBondContact CA-O 3.29Å; A8-A55 HydrophobicContact CB-CB 4.17Å
9	S	37.7	Very low	30.3	Very low	50 Å²	50	114.6 Å²	114.6	35%	0.35	57%	0.572	S	S	.	*			trans	-106.6	111.2	172.2	-67.7	0	0	0	0	109	Q53	S9-Q53 PolarHBondContact O-N 3.36Å
10	C	36.4	Very low	30.4	Very low	30 Å²	30	115.3 Å²	115.3	20%	0.203	59%	0.588	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.3	138.6	-179.8	-56.9	0	0	0	0	110.5	F32 V50 F51	C10-F32 HydrophobicContact CB-CE1 3.84Å; C10-F32 HydrophobicContact CB-CE2 4.18Å; C10-F32 HydrophobicContact CB-CZ 3.66Å; C10-V50 HydrophobicContact CB-CG1 4.41Å; C10-F51 CarbonylContact C-O 3.56Å; C10-F51 WeakPolarHBondContact CA-O 3.23Å
11	Y	40.2	Very low	30.3	Very low	76 Å²	76	113.8 Å²	113.8	30%	0.298	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.4	150.8	174.6	-59.4	-85.1	0	0	0	109.7	K26 F51 Q53	Y11-K26 HydrophobicContact CE1-CD 3.81Å; Y11-K26 HydrophobicContact CE1-CG 4Å; Y11-K26 PolarHBondContact OH-NZ 2.83Å; Y11-F51 PolarHBondContact N-O 3.07Å; Y11-F51 WeakPolarHBondContact O-CA 3.2Å; Y11-F51 WeakPolarHBondContact O-CB 3.49Å; Y11-F51 PolarHBondContact O-N 3.5Å; Y11-Q53 HydrophobicContact CD2-CG 4.12Å; Y11-Q53 HydrophobicContact CE2-CG 4.35Å
12	T	38.5	Very low	30.8	Very low	34 Å²	34	106.7 Å²	106.7	21%	0.209	58%	0.582	C	S	.	*			trans	-99.7	130.8	161.7	60.8	0	0	0	0	107.9	R14 Y29 S49 V50	T12-R14 PolarHBondContact O-N 2.98Å; T12-Y29 HydrophobicContact CG2-CD1 3.93Å; T12-Y29 HydrophobicContact CG2-CD2 3.86Å; T12-Y29 HydrophobicContact CG2-CE1 3.63Å; T12-Y29 HydrophobicContact CG2-CE2 3.55Å; T12-Y29 HydrophobicContact CG2-CG 4.05Å; T12-Y29 VanDerWaalsContact CG2-CZ 3.41Å; T12-Y29 WeakPolarHBondContact OG1-CE2 3.42Å; T12-Y29 VanDerWaalsContact OG1-CZ 3.23Å; T12-Y29 PolarHBondContact OG1-OH 2.82Å; T12-S49 WeakPolarHBondContact CG2-O 3.34Å; T12-V50 HydrophobicContact CG2-CG2 4.35Å
13	P	38.1	Very low	31.3	Very low	64 Å²	64	107 Å²	107	42%	0.416	58%	0.584	S	S	.	*			trans	-68.1	108.6	161.3	19.5	-18.1	0	0	0	104.9	E15 F51	P13-E15 PolarHBondContact O-N 3.42Å; P13-F51 HydrophobicContact CB-CE2 4.44Å; P13-F51 HydrophobicContact CG-CD2 3.31Å; P13-F51 HydrophobicContact CG-CE1 4.32Å; P13-F51 HydrophobicContact CG-CE2 2.98Å; P13-F51 HydrophobicContact CG-CG 4.1Å; P13-F51 HydrophobicContact CG-CZ 3.56Å
14	R	32.4	Very low	32	Very low	188 Å²	188	105.7 Å²	105.7	71%	0.709	59%	0.591	S	S	*	*			trans	-46.7	133.3	154.9	-99.6	-177.9	163.1	-176.2	-8.2	106.9	T12 K16	T12-R14 PolarHBondContact O-N 2.98Å; R14-K16 PolarHBondContact O-N 3.45Å; R14-K16 VanDerWaalsContact O-N 3.12Å
15	E	28.8	Very low	32.4	Very low	153 Å²	153	104.8 Å²	104.8	72%	0.715	59%	0.588	S	S	*	*	S	Bend	trans	-34.3	122.7	168.6	-83.9	169.6	135.6	0	0	108.6	P13 H17 K48	P13-E15 PolarHBondContact O-N 3.42Å; E15-H17 VanDerWaalsContact C-N 3.33Å; E15-H17 PolarHBondContact O-N 2.79Å; E15-K48 IonicContact OE1-NZ 3.83Å; E15-K48 PolarHBondContact OE1-NZ 3.1Å
16	K	31.7	Very low	32.8	Very low	166 Å²	166	110 Å²	110	72%	0.722	61%	0.606	S	S	*	*	S	Bend	trans	-44	93.2	-175.7	-73.1	178.4	175.9	178.9	0	111.1	R14 W18	R14-K16 PolarHBondContact O-N 3.45Å; R14-K16 VanDerWaalsContact O-N 3.12Å; K16-W18 HydrophobicContact CD-CE3 4.13Å; K16-W18 HydrophobicContact CD-CH2 4.11Å; K16-W18 HydrophobicContact CD-CZ3 3.76Å; K16-W18 HydrophobicContact CG-CE3 4.39Å; K16-W18 HydrophobicContact CG-CZ3 4.4Å
17	H	26.6	Very low	32.8	Very low	174 Å²	174	111.1 Å²	111.1	81%	0.806	60%	0.599	S	S	*	*			trans	-111.4	87	142	-116.9	130.8	0	0	0	104.9	E15 S19	E15-H17 VanDerWaalsContact C-N 3.33Å; E15-H17 PolarHBondContact O-N 2.79Å; H17-S19 PolarHBondContact O-N 3.02Å
18	W	25.3	Very low	32.6	Very low	208 Å²	208	114.1 Å²	114.1	79%	0.788	62%	0.617	S	S	*	*			trans	-66.3	80.4	163.6	-83.6	-51.7	0	0	0	107.6	K16 S20	K16-W18 HydrophobicContact CD-CE3 4.13Å; K16-W18 HydrophobicContact CD-CH2 4.11Å; K16-W18 HydrophobicContact CD-CZ3 3.76Å; K16-W18 HydrophobicContact CG-CE3 4.39Å; K16-W18 HydrophobicContact CG-CZ3 4.4Å; W18-S20 PolarHBondContact O-N 3.23Å
19	S	29.9	Very low	32.9	Very low	91 Å²	91	118 Å²	118	64%	0.636	63%	0.628	S	S	*	*			trans	-83.1	101.6	156.7	-63.8	0	0	0	0	106.3	H17 G21 G22	H17-S19 PolarHBondContact O-N 3.02Å; S19-G21 PolarHBondContact O-N 3.24Å; S19-G21 VanDerWaalsContact O-N 3.12Å; S19-G22 PolarHBondContact O-N 3.12Å
20	S	32.6	Very low	33	Very low	127 Å²	127	118.8 Å²	118.8	89%	0.888	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-42.9	115.2	174.7	-56.6	0	0	0	0	110.8	W18	W18-S20 PolarHBondContact O-N 3.23Å
21	G	29.4	Very low	33.2	Very low	84 Å²	84	121.7 Å²	121.7	87%	0.866	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	107.9	-3.2	168.9	0	0	0	0	0	117.5	S19	S19-G21 PolarHBondContact O-N 3.24Å; S19-G21 VanDerWaalsContact O-N 3.12Å
22	G	26.2	Very low	33.4	Very low	63 Å²	63	121.9 Å²	121.9	65%	0.649	66%	0.655	S	S	*	*			trans	-89.5	112.5	177.5	0	0	0	0	0	112.8	S19 A24	S19-G22 PolarHBondContact O-N 3.12Å; G22-A24 PolarHBondContact O-N 2.88Å; G22-A24 VanDerWaalsContact O-N 3.08Å
23	Q	31.1	Very low	33.6	Very low	188 Å²	188	125.5 Å²	125.5	88%	0.879	67%	0.672	S	S	*	*			trans	-49.8	117.6	170.6	-64.8	-171.9	38.8	0	0	109.8	Q25	Q23-Q25 PolarHBondContact O-N 3.44Å
24	A	34.1	Very low	33.9	Very low	93 Å²	93	126.5 Å²	126.5	77%	0.769	67%	0.671	S	S	*	*			trans	-59.9	102	179.4	0	0	0	0	0	109.3	G22 K26	G22-A24 PolarHBondContact O-N 2.88Å; G22-A24 VanDerWaalsContact O-N 3.08Å; A24-K26 PolarHBondContact O-N 2.77Å
25	Q	29.3	Very low	34.5	Very low	159 Å²	159	120.5 Å²	120.5	74%	0.743	66%	0.659	S	S	*	*			trans	-59.2	107.5	175.3	-79.2	-176.7	-17.9	0	0	108.9	Q23 K27	Q23-Q25 PolarHBondContact O-N 3.44Å; Q25-K27 VanDerWaalsContact C-N 3.32Å; Q25-K27 PolarHBondContact O-N 2.93Å
26	K	35.7	Very low	35.6	Very low	155 Å²	155	117.9 Å²	117.9	67%	0.674	65%	0.646	S	S	*	*			trans	-64.8	87.2	174.7	-57.2	-173.7	-172.6	-165.9	0	108.9	Y11 A24	Y11-K26 HydrophobicContact CE1-CD 3.81Å; Y11-K26 HydrophobicContact CE1-CG 4Å; Y11-K26 PolarHBondContact OH-NZ 2.83Å; A24-K26 PolarHBondContact O-N 2.77Å
27	K	30.8	Very low	36.3	Very low	140 Å²	140	110.3 Å²	110.3	61%	0.609	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-75.8	124.6	165.5	-72.1	-167.8	178.2	-170.5	0	107.8	Q25 Y29	Q25-K27 VanDerWaalsContact C-N 3.32Å; Q25-K27 PolarHBondContact O-N 2.93Å; K27-Y29 PolarHBondContact O-N 2.86Å
28	P	33.9	Very low	37.6	Very low	131 Å²	131	105.2 Å²	105.2	85%	0.851	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-63.8	119.3	176.7	24.5	-30.7	0	0	0	109
29	Y	41.4	Very low	38.9	Very low	104 Å²	104	95.5 Å²	95.5	41%	0.408	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-73.4	166.6	169.8	-96.4	-104.4	0	0	0	110.2	T12 K27 S31 V47	T12-Y29 HydrophobicContact CG2-CD1 3.93Å; T12-Y29 HydrophobicContact CG2-CD2 3.86Å; T12-Y29 HydrophobicContact CG2-CE1 3.63Å; T12-Y29 HydrophobicContact CG2-CE2 3.55Å; T12-Y29 HydrophobicContact CG2-CG 4.05Å; T12-Y29 VanDerWaalsContact CG2-CZ 3.41Å; T12-Y29 WeakPolarHBondContact OG1-CE2 3.42Å; T12-Y29 VanDerWaalsContact OG1-CZ 3.23Å; T12-Y29 PolarHBondContact OG1-OH 2.82Å; K27-Y29 PolarHBondContact O-N 2.86Å; Y29-S31 PolarHBondContact O-N 2.83Å; Y29-V47 HydrophobicContact CE1-CG1 4.41Å; Y29-V47 HydrophobicContact CE1-CG2 4.31Å
30	P	41	Very low	39.9	Very low	66 Å²	66	93 Å²	93	43%	0.429	53%	0.533	S	S	.	.	S	Bend	trans	-46.3	139.8	177	16.2	-31.6	0	0	0	112.1	F32	P30-F32 PolarHBondContact O-N 3.18Å
31	S	39.6	Very low	40.8	Very low	91 Å²	91	87.5 Å²	87.5	64%	0.636	49%	0.493	S	S	*	.			trans	-42.5	120.1	-169.4	49.5	0	0	0	0	113.5	Y29	Y29-S31 PolarHBondContact O-N 2.83Å
32	F	45.4	Very low	41.9	Very low	80 Å²	80	88.3 Å²	88.3	35%	0.351	47%	0.473	S	S	.	.			trans	-82.1	121.5	165.1	-64.5	-93.6	0	0	0	108.1	C10 P30 F41 V50	C10-F32 HydrophobicContact CB-CE1 3.84Å; C10-F32 HydrophobicContact CB-CE2 4.18Å; C10-F32 HydrophobicContact CB-CZ 3.66Å; P30-F32 PolarHBondContact O-N 3.18Å; F32-F41 HydrophobicContact CD1-CD1 4.44Å; F32-F41 HydrophobicContact CD1-CE1 4.34Å; F32-F41 AromaticContact CE1-CD1 3.82Å; F32-F41 HydrophobicContact CE1-CD1 3.82Å; F32-F41 AromaticContact CE1-CE1 3.56Å; F32-F41 HydrophobicContact CE1-CE1 3.56Å; F32-F41 HydrophobicContact CZ-CE1 4.46Å; F32-V50 HydrophobicContact CZ-CG1 4.42Å
33	L	41.5	Very low	42.9	Very low	110 Å²	110	86.7 Å²	86.7	58%	0.576	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	103.9	160.4	-78.4	158.7	0	0	0	106.1
34	Q	45.8	Very low	43.6	Very low	85 Å²	85	90.2 Å²	90.2	40%	0.397	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	106.6	166.4	-176.1	177.2	-1.9	0	0	106.7
35	S	43.4	Very low	44.3	Very low	63 Å²	63	93.6 Å²	93.6	44%	0.441	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	167.5	167.6	62.3	0	0	0	0	109.4	G37 K38	S35-G37 PolarHBondContact O-N 3.14Å; S35-K38 PolarHBondContact N-O 3.18Å; S35-K38 PolarHBondContact O-N 2.84Å
36	E	51.9	Low	45.2	Very low	97 Å²	97	91 Å²	91	45%	0.453	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-32.6	101.8	-173.8	-57.7	179.1	116.7	0	0	113.9	H2 I3 K38	H2-E36 VanDerWaalsContact CA-OE1 3.25Å; H2-E36 WeakPolarHBondContact CA-OE1 3.31Å; I3-E36 PolarHBondContact N-OE1 3.39Å; E36-K38 PolarHBondContact O-N 3.01Å
37	G	48	Very low	45.8	Very low	8 Å²	8	84.2 Å²	84.2	8%	0.082	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	1.1	177.6	0	0	0	0	0	115.7	S35 V57 E58 S59	S35-G37 PolarHBondContact O-N 3.14Å; G37-V57 CarbonylContact O-C 3.55Å; G37-V57 WeakPolarHBondContact O-CA 3.35Å; G37-E58 PolarHBondContact O-N 2.87Å; G37-S59 PolarHBondContact O-N 2.83Å
38	K	54.3	Low	46.8	Very low	66 Å²	66	84.5 Å²	84.5	29%	0.287	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.4	-174.7	-167.8	-178.6	179.4	-162.1	0	111	S35 E36 E40 S59	S35-K38 PolarHBondContact N-O 3.18Å; S35-K38 PolarHBondContact O-N 2.84Å; E36-K38 PolarHBondContact O-N 3.01Å; K38-E40 HydrophobicContact CD-CG 4.03Å; K38-E40 VanDerWaalsContact CE-CD 3.47Å; K38-E40 WeakPolarHBondContact CE-OE1 3.31Å; K38-E40 HydrophobicContact CG-CG 4.04Å; K38-E40 VanDerWaalsContact NZ-CD 3.25Å; K38-E40 IonicContact NZ-OE1 3.36Å; K38-E40 PolarHBondContact NZ-OE1 2.92Å; K38-E40 IonicContact NZ-OE2 2.64Å; K38-S59 WeakPolarHBondContact CA-O 3.36Å
39	L	52.5	Low	47.7	Very low	5 Å²	5	79.7 Å²	79.7	3%	0.026	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.3	173	-161.2	142.2	0	0	0	109.1	A8 F41 I52 V57 S59 N61	A8-L39 HydrophobicContact CB-CD1 4.13Å; L39-F41 HydrophobicContact CD2-CD1 4.34Å; L39-F41 HydrophobicContact CD2-CD2 3.53Å; L39-F41 HydrophobicContact CD2-CE1 3.83Å; L39-F41 HydrophobicContact CD2-CE2 2.95Å; L39-F41 HydrophobicContact CD2-CG 4.23Å; L39-F41 HydrophobicContact CD2-CZ 3.13Å; L39-F41 HydrophobicContact CG-CE2 4.42Å; L39-I52 HydrophobicContact CD1-CD1 4.1Å; L39-I52 HydrophobicContact CD2-CD1 3.92Å; L39-V57 HydrophobicContact CB-CG1 3.65Å; L39-S59 PolarHBondContact N-O 2.9Å; L39-N61 PolarHBondContact O-N 2.85Å
40	E	49.1	Very low	48.3	Very low	37 Å²	37	75 Å²	75	17%	0.173	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.8	-179.7	-62.7	-168.6	114.8	0	0	111	K38 F42	K38-E40 HydrophobicContact CD-CG 4.03Å; K38-E40 VanDerWaalsContact CE-CD 3.47Å; K38-E40 WeakPolarHBondContact CE-OE1 3.31Å; K38-E40 HydrophobicContact CG-CG 4.04Å; K38-E40 VanDerWaalsContact NZ-CD 3.25Å; K38-E40 IonicContact NZ-OE1 3.36Å; K38-E40 PolarHBondContact NZ-OE1 2.92Å; K38-E40 IonicContact NZ-OE2 2.64Å; E40-F42 HydrophobicContact CB-CD2 4.21Å; E40-F42 HydrophobicContact CB-CE2 3.51Å; E40-F42 HydrophobicContact CB-CZ 4.16Å; E40-F42 HydrophobicContact CG-CE2 4.37Å
41	F	53.2	Low	48.7	Very low	13 Å²	13	74.4 Å²	74.4	6%	0.057	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.9	175.2	-66.5	-91.9	0	0	0	110.8	F32 L39 V50 I52 V60 N61 I62 K63 L67 V69	F32-F41 HydrophobicContact CD1-CD1 4.44Å; F32-F41 HydrophobicContact CD1-CE1 4.34Å; F32-F41 AromaticContact CE1-CD1 3.82Å; F32-F41 HydrophobicContact CE1-CD1 3.82Å; F32-F41 AromaticContact CE1-CE1 3.56Å; F32-F41 HydrophobicContact CE1-CE1 3.56Å; F32-F41 HydrophobicContact CZ-CE1 4.46Å; L39-F41 HydrophobicContact CD2-CD1 4.34Å; L39-F41 HydrophobicContact CD2-CD2 3.53Å; L39-F41 HydrophobicContact CD2-CE1 3.83Å; L39-F41 HydrophobicContact CD2-CE2 2.95Å; L39-F41 HydrophobicContact CD2-CG 4.23Å; L39-F41 HydrophobicContact CD2-CZ 3.13Å; L39-F41 HydrophobicContact CG-CE2 4.42Å; F41-V50 HydrophobicContact CD1-CG2 4.46Å; F41-V50 HydrophobicContact CE1-CB 3.96Å; F41-V50 HydrophobicContact CE1-CG1 3.63Å; F41-V50 HydrophobicContact CE1-CG2 4.15Å; F41-V50 HydrophobicContact CZ-CG1 4.27Å; F41-I52 HydrophobicContact CE2-CD1 4.17Å; F41-I52 HydrophobicContact CZ-CD1 3.58Å; F41-I52 HydrophobicContact CZ-CG1 4.16Å; F41-V60 HydrophobicContact CD2-CG1 4.26Å; F41-V60 HydrophobicContact CE2-CG1 3.75Å; F41-N61 PolarHBondContact N-O 3.22Å; F41-I62 HydrophobicContact CB-CG2 4.4Å; F41-I62 HydrophobicContact CD2-CD1 3.58Å; F41-I62 HydrophobicContact CD2-CG1 3.67Å; F41-I62 HydrophobicContact CE2-CD1 3.65Å; F41-I62 HydrophobicContact CE2-CG1 4.12Å; F41-I62 HydrophobicContact CG-CD1 4.34Å; F41-K63 PolarHBondContact O-N 3.48Å; F41-L67 HydrophobicContact CB-CD2 4.27Å; F41-L67 HydrophobicContact CD1-CD2 4.44Å; F41-L67 HydrophobicContact CG-CD2 4.4Å; F41-V69 HydrophobicContact CE1-CG2 4.42Å; F41-V69 HydrophobicContact CE2-CG1 4.22Å; F41-V69 HydrophobicContact CE2-CG2 4.14Å; F41-V69 HydrophobicContact CZ-CG1 4Å; F41-V69 HydrophobicContact CZ-CG2 4.01Å
42	F	51.3	Low	49.5	Very low	101 Å²	101	70.1 Å²	70.1	44%	0.443	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	114.3	171.2	-60.5	-79.1	0	0	0	109.3	E40 K63	E40-F42 HydrophobicContact CB-CD2 4.21Å; E40-F42 HydrophobicContact CB-CE2 3.51Å; E40-F42 HydrophobicContact CB-CZ 4.16Å; E40-F42 HydrophobicContact CG-CE2 4.37Å; F42-K63 HydrophobicContact CE1-CB 4.4Å; F42-K63 HydrophobicContact CE1-CD 4.43Å
43	S	47.1	Very low	49.5	Very low	28 Å²	28	71 Å²	71	20%	0.196	34%	0.341	C	S	.	.			trans	-128.6	128.5	170.5	-173.7	0	0	0	0	110.5	K45 V47	S43-K45 VanDerWaalsContact C-N 3.29Å; S43-K45 WeakPolarHBondContact CB-O 2.84Å; S43-K45 PolarHBondContact OG-N 2.84Å; S43-K45 PolarHBondContact OG-O 2.97Å; S43-V47 VanDerWaalsContact OG-CG2 3.26Å; S43-V47 WeakPolarHBondContact OG-CG2 3.5Å
44	R	45.5	Very low	49.9	Very low	262 Å²	262	71 Å²	71	99%	0.989	34%	0.337	S	S	*	.	S	Bend	trans	-84	-5.7	170.8	-62.8	-174.5	-178	-179.2	0.3	112.9
45	K	50.3	Low	50.2	Low	164 Å²	164	67 Å²	67	71%	0.713	32%	0.318	S	S	*	.	S	Bend	trans	-121.5	150.9	179	-65.7	-173.7	178.5	-177.2	0	109.7	S43 V47	S43-K45 VanDerWaalsContact C-N 3.29Å; S43-K45 WeakPolarHBondContact CB-O 2.84Å; S43-K45 PolarHBondContact OG-N 2.84Å; S43-K45 PolarHBondContact OG-O 2.97Å; K45-V47 PolarHBondContact O-N 3.33Å
46	P	48.2	Very low	50.6	Low	105 Å²	105	66.5 Å²	66.5	68%	0.682	31%	0.312	S	S	*	.			trans	-56.7	123.2	175	-22.1	32.1	0	0	0	110.4
47	V	48.6	Very low	50.8	Low	13 Å²	13	62.1 Å²	62.1	8%	0.079	29%	0.292	C	S	.	.			trans	-116.6	102.9	175.1	177.1	0	0	0	0	106.7	Y29 S43 K45 S49 V50 L67	Y29-V47 HydrophobicContact CE1-CG1 4.41Å; Y29-V47 HydrophobicContact CE1-CG2 4.31Å; S43-V47 VanDerWaalsContact OG-CG2 3.26Å; S43-V47 WeakPolarHBondContact OG-CG2 3.5Å; K45-V47 PolarHBondContact O-N 3.33Å; V47-S49 PolarHBondContact O-N 2.77Å; V47-V50 HydrophobicContact CG1-CG2 3.63Å; V47-L67 HydrophobicContact CB-CD1 3.93Å; V47-L67 HydrophobicContact CG1-CD1 3.68Å; V47-L67 WeakPolarHBondContact O-CA 3.02Å; V47-L67 WeakPolarHBondContact O-CD1 3.49Å
48	K	51.5	Low	51	Low	146 Å²	146	67.7 Å²	67.7	64%	0.635	32%	0.316	S	S	*	.	S	Bend	trans	-59.5	-35.5	-175.9	-64.5	-174.7	-176.3	177.7	0	112.4	E15 S68	E15-K48 IonicContact OE1-NZ 3.83Å; E15-K48 PolarHBondContact OE1-NZ 3.1Å; K48-S68 WeakPolarHBondContact O-CB 3.4Å; K48-S68 PolarHBondContact O-N 3.4Å
49	S	52	Low	50.9	Low	29 Å²	29	66.1 Å²	66.1	20%	0.203	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	148.8	176.4	59.3	0	0	0	0	114.8	T12 V47 S68	T12-S49 WeakPolarHBondContact CG2-O 3.34Å; V47-S49 PolarHBondContact O-N 2.77Å; S49-S68 CarbonylContact C-O 3.6Å; S49-S68 WeakPolarHBondContact CA-O 3.4Å
50	V	53.5	Low	51	Low	6 Å²	6	66 Å²	66	4%	0.036	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.8	167.6	-178	0	0	0	0	110	C10 T12 F32 F41 V47 L67 S68 V69 V70	C10-V50 HydrophobicContact CB-CG1 4.41Å; T12-V50 HydrophobicContact CG2-CG2 4.35Å; F32-V50 HydrophobicContact CZ-CG1 4.42Å; F41-V50 HydrophobicContact CD1-CG2 4.46Å; F41-V50 HydrophobicContact CE1-CB 3.96Å; F41-V50 HydrophobicContact CE1-CG1 3.63Å; F41-V50 HydrophobicContact CE1-CG2 4.15Å; F41-V50 HydrophobicContact CZ-CG1 4.27Å; V47-V50 HydrophobicContact CG1-CG2 3.63Å; V50-L67 HydrophobicContact CB-CD1 4.39Å; V50-L67 HydrophobicContact CG2-CD1 3.78Å; V50-S68 PolarHBondContact N-O 3.47Å; V50-V69 HydrophobicContact CB-CG2 4.35Å; V50-V69 WeakPolarHBondContact O-CA 3.46Å; V50-V70 PolarHBondContact O-N 3.3Å
51	F	50.4	Low	51.1	Low	54 Å²	54	65.2 Å²	65.2	24%	0.237	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.2	-179.4	-71.7	-114.9	0	0	0	109.2	C10 Y11 P13 V70	C10-F51 CarbonylContact C-O 3.56Å; C10-F51 WeakPolarHBondContact CA-O 3.23Å; Y11-F51 PolarHBondContact N-O 3.07Å; Y11-F51 WeakPolarHBondContact O-CA 3.2Å; Y11-F51 WeakPolarHBondContact O-CB 3.49Å; Y11-F51 PolarHBondContact O-N 3.5Å; P13-F51 HydrophobicContact CB-CE2 4.44Å; P13-F51 HydrophobicContact CG-CD2 3.31Å; P13-F51 HydrophobicContact CG-CE1 4.32Å; P13-F51 HydrophobicContact CG-CE2 2.98Å; P13-F51 HydrophobicContact CG-CG 4.1Å; P13-F51 HydrophobicContact CG-CZ 3.56Å; F51-V70 CarbonylContact C-O 3.4Å; F51-V70 WeakPolarHBondContact CA-O 3.43Å; F51-V70 HydrophobicContact CD1-CB 3.83Å; F51-V70 HydrophobicContact CD1-CG1 4.11Å; F51-V70 HydrophobicContact CD1-CG2 4.37Å; F51-V70 HydrophobicContact CE1-CB 3.9Å; F51-V70 HydrophobicContact CE1-CG1 4.13Å; F51-V70 HydrophobicContact CE1-CG2 3.95Å; F51-V70 HydrophobicContact CE2-CG2 4.42Å; F51-V70 HydrophobicContact CG-CB 4.24Å; F51-V70 HydrophobicContact CZ-CB 4.36Å; F51-V70 HydrophobicContact CZ-CG2 4Å
52	I	55.4	Low	50.9	Low	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	109.3	177.5	-47.6	177.8	0	0	0	107.1	L39 F41 A55 V69 V70 I71 E72	L39-I52 HydrophobicContact CD1-CD1 4.1Å; L39-I52 HydrophobicContact CD2-CD1 3.92Å; F41-I52 HydrophobicContact CE2-CD1 4.17Å; F41-I52 HydrophobicContact CZ-CD1 3.58Å; F41-I52 HydrophobicContact CZ-CG1 4.16Å; I52-A55 HydrophobicContact CG2-CB 3.68Å; I52-V69 HydrophobicContact CD1-CG1 4.06Å; I52-V69 HydrophobicContact CG1-CG1 4.41Å; I52-V70 PolarHBondContact N-O 3.22Å; I52-I71 HydrophobicContact CB-CG1 4.37Å; I52-I71 HydrophobicContact CB-CG2 4.35Å; I52-I71 HydrophobicContact CD1-CD1 4.11Å; I52-I71 HydrophobicContact CD1-CG1 3.88Å; I52-I71 HydrophobicContact CG1-CG1 4.41Å; I52-E72 PolarHBondContact O-N 3.31Å
53	Q	46.1	Very low	51	Low	98 Å²	98	64 Å²	64	46%	0.458	30%	0.304	S	S	.	.	S	Bend	trans	-70.9	-38	-175.1	-71.7	-171.4	-37.2	0	0	112.6	S9 Y11	S9-Q53 PolarHBondContact O-N 3.36Å; Y11-Q53 HydrophobicContact CD2-CG 4.12Å; Y11-Q53 HydrophobicContact CE2-CG 4.35Å
54	K	49.5	Very low	51	Low	112 Å²	112	63 Å²	63	49%	0.487	30%	0.298	S	S	.	.			trans	-152	126.1	179.8	-173	-179.2	179.4	-173.6	0	108.5	A8	A8-K54 WeakPolarHBondContact CA-O 3.29Å
55	A	51.7	Low	51.3	Low	1 Å²	1	55.1 Å²	55.1	1%	0.008	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-146	137.1	169	0	0	0	0	0	110.6	A8 I52 V57 K73	A8-A55 HydrophobicContact CB-CB 4.17Å; I52-A55 HydrophobicContact CG2-CB 3.68Å; A55-V57 HydrophobicContact CB-CG2 3.58Å; A55-K73 PolarHBondContact N-O 2.64Å
56	T	53.5	Low	51.4	Low	51 Å²	51	51.1 Å²	51.1	31%	0.313	27%	0.265	S	S	.	.			trans	-93.5	92.9	163	-58.2	0	0	0	0	105.5	V5 T75	V5-T56 HydrophobicContact CG1-CG2 4.42Å; T56-T75 PolarHBondContact OG1-OG1 3.1Å; T56-T75 VanDerWaalsContact OG1-OG1 3.12Å
57	V	54.5	Low	51.7	Low	5 Å²	5	46.2 Å²	46.2	3%	0.03	23%	0.234	C	C	.	.			trans	-118.2	128.3	-177.6	-109	0	0	0	0	108	G37 L39 A55 S59 V60 A78	G37-V57 CarbonylContact O-C 3.55Å; G37-V57 WeakPolarHBondContact O-CA 3.35Å; L39-V57 HydrophobicContact CB-CG1 3.65Å; A55-V57 HydrophobicContact CB-CG2 3.58Å; V57-S59 WeakPolarHBondContact CG1-O 3.36Å; V57-V60 HydrophobicContact CB-CG2 3.99Å; V57-V60 HydrophobicContact CG1-CG2 3.91Å; V57-V60 HydrophobicContact CG2-CG2 4.01Å; V57-A78 HydrophobicContact CB-CB 4.26Å; V57-A78 WeakPolarHBondContact O-CB 3.2Å
58	E	52.9	Low	52.1	Low	126 Å²	126	47.7 Å²	47.7	59%	0.589	24%	0.244	S	C	*	.	S	Bend	trans	-84.4	-27.1	166.2	-60.7	-179.1	159.8	0	0	110.3	G37 A78 D79	G37-E58 PolarHBondContact O-N 2.87Å; E58-A78 WeakPolarHBondContact O-CA 3.35Å; E58-D79 PolarHBondContact O-N 2.93Å
59	S	52.3	Low	52.4	Low	33 Å²	33	40.8 Å²	40.8	23%	0.231	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	148.2	174	61.7	0	0	0	0	112.2	G37 K38 L39 V57	G37-S59 PolarHBondContact O-N 2.83Å; K38-S59 WeakPolarHBondContact CA-O 3.36Å; L39-S59 PolarHBondContact N-O 2.9Å; V57-S59 WeakPolarHBondContact CG1-O 3.36Å
60	V	53.6	Low	52.7	Low	2 Å²	2	40.3 Å²	40.3	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.2	173.8	179.8	0	0	0	0	107.9	F41 V57 I62 I71 A78 D79 F80 I81	F41-V60 HydrophobicContact CD2-CG1 4.26Å; F41-V60 HydrophobicContact CE2-CG1 3.75Å; V57-V60 HydrophobicContact CB-CG2 3.99Å; V57-V60 HydrophobicContact CG1-CG2 3.91Å; V57-V60 HydrophobicContact CG2-CG2 4.01Å; V60-I62 HydrophobicContact CG1-CD1 4.09Å; V60-I62 HydrophobicContact CG1-CG1 3.87Å; V60-I71 HydrophobicContact CG2-CD1 3.87Å; V60-A78 HydrophobicContact CG2-CB 4.33Å; V60-D79 PolarHBondContact N-O 3.41Å; V60-F80 HydrophobicContact CG1-CD2 4.43Å; V60-I81 PolarHBondContact O-N 3.12Å; V60-I81 VanDerWaalsContact O-N 3.14Å
61	N	51.2	Low	52.8	Low	20 Å²	20	40 Å²	40	11%	0.107	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.2	177.8	-167.3	-43	0	0	0	109.9	L39 F41	L39-N61 PolarHBondContact O-N 2.85Å; F41-N61 PolarHBondContact N-O 3.22Å
62	I	50.9	Low	53	Low	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	106.6	-176.7	-52.9	-146.6	0	0	0	110.4	F41 V60 A64 L67 V69 F80 I81 T82 S83	F41-I62 HydrophobicContact CB-CG2 4.4Å; F41-I62 HydrophobicContact CD2-CD1 3.58Å; F41-I62 HydrophobicContact CD2-CG1 3.67Å; F41-I62 HydrophobicContact CE2-CD1 3.65Å; F41-I62 HydrophobicContact CE2-CG1 4.12Å; F41-I62 HydrophobicContact CG-CD1 4.34Å; V60-I62 HydrophobicContact CG1-CD1 4.09Å; V60-I62 HydrophobicContact CG1-CG1 3.87Å; I62-A64 HydrophobicContact CG2-CB 4.07Å; I62-L67 HydrophobicContact CD1-CD2 4.37Å; I62-L67 HydrophobicContact CG2-CD2 3.65Å; I62-L67 HydrophobicContact CG2-CG 4.39Å; I62-V69 HydrophobicContact CD1-CB 3.68Å; I62-V69 HydrophobicContact CD1-CG1 4.2Å; I62-V69 HydrophobicContact CD1-CG2 3.09Å; I62-F80 HydrophobicContact CB-CE2 4.15Å; I62-F80 HydrophobicContact CB-CZ 4.32Å; I62-F80 HydrophobicContact CD1-CD2 4.45Å; I62-F80 HydrophobicContact CD1-CE2 3.42Å; I62-F80 VanDerWaalsContact CD1-CE2 3.42Å; I62-F80 HydrophobicContact CD1-CZ 4.06Å; I62-F80 HydrophobicContact CG1-CD2 4.32Å; I62-F80 HydrophobicContact CG1-CE2 3.48Å; I62-F80 VanDerWaalsContact CG1-CE2 3.48Å; I62-F80 HydrophobicContact CG1-CZ 4.12Å; I62-I81 PolarHBondContact N-O 3.12Å; I62-T82 WeakPolarHBondContact O-CA 3.47Å; I62-T82 PolarHBondContact O-OG1 3.03Å; I62-S83 PolarHBondContact O-N 2.93Å
63	K	51.5	Low	53.1	Low	88 Å²	88	47.3 Å²	47.3	38%	0.383	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	75.2	169.8	-60.6	-165.5	176.7	-162.1	0	109.5	F41 F42 E105	F41-K63 PolarHBondContact O-N 3.48Å; F42-K63 HydrophobicContact CE1-CB 4.4Å; F42-K63 HydrophobicContact CE1-CD 4.43Å; K63-E105 IonicContact NZ-OE2 2.82Å; K63-E105 PolarHBondContact NZ-OE2 3.17Å
64	A	48.1	Very low	53.6	Low	8 Å²	8	42.8 Å²	42.8	7%	0.066	22%	0.221	C	C	.	.			trans	-144.6	137.8	178.4	0	0	0	0	0	110.7	I62 L67 A84 S87	I62-A64 HydrophobicContact CG2-CB 4.07Å; A64-L67 HydrophobicContact CB-CB 3.74Å; A64-L67 HydrophobicContact CB-CD2 3.68Å; A64-L67 HydrophobicContact CB-CG 4.35Å; A64-A84 WeakPolarHBondContact O-CB 3.15Å; A64-S87 PolarHBondContact O-OG 3.3Å
65	T	50.9	Low	54	Low	97 Å²	97	40.2 Å²	40.2	60%	0.595	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	130.6	169.3	47.1	0	0	0	0	110
66	D	53.9	Low	54	Low	79 Å²	79	43.7 Å²	43.7	42%	0.422	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	49.9	176.5	-51.9	-46.4	0	0	0	114.7	N86	D66-N86 WeakPolarHBondContact OD1-CB 3.4Å; D66-N86 PolarHBondContact OD1-ND2 3.24Å
67	L	53.6	Low	54	Low	3 Å²	3	46.4 Å²	46.4	2%	0.016	24%	0.242	C	C	.	.			trans	-113.1	125.5	179.5	177.1	59.5	0	0	0	112.6	F41 V47 V50 I62 A64 V69 S87 S88	F41-L67 HydrophobicContact CB-CD2 4.27Å; F41-L67 HydrophobicContact CD1-CD2 4.44Å; F41-L67 HydrophobicContact CG-CD2 4.4Å; V47-L67 HydrophobicContact CB-CD1 3.93Å; V47-L67 HydrophobicContact CG1-CD1 3.68Å; V47-L67 WeakPolarHBondContact O-CA 3.02Å; V47-L67 WeakPolarHBondContact O-CD1 3.49Å; V50-L67 HydrophobicContact CB-CD1 4.39Å; V50-L67 HydrophobicContact CG2-CD1 3.78Å; I62-L67 HydrophobicContact CD1-CD2 4.37Å; I62-L67 HydrophobicContact CG2-CD2 3.65Å; I62-L67 HydrophobicContact CG2-CG 4.39Å; A64-L67 HydrophobicContact CB-CB 3.74Å; A64-L67 HydrophobicContact CB-CD2 3.68Å; A64-L67 HydrophobicContact CB-CG 4.35Å; L67-V69 HydrophobicContact CD1-CG2 4.19Å; L67-V69 HydrophobicContact CD2-CG2 3.82Å; L67-V69 HydrophobicContact CG-CG2 3.78Å; L67-S87 PolarHBondContact N-OG 3.14Å; L67-S87 CarbonylContact O-C 3.54Å; L67-S87 WeakPolarHBondContact O-CA 3.16Å; L67-S87 WeakPolarHBondContact O-CB 3.42Å; L67-S87 PolarHBondContact O-OG 2.8Å; L67-S88 PolarHBondContact O-N 3.32Å
68	S	56.7	Low	53.9	Low	43 Å²	43	46.1 Å²	46.1	30%	0.301	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.6	167.2	-56.5	0	0	0	0	110.8	K48 S49 V50 S88	K48-S68 WeakPolarHBondContact O-CB 3.4Å; K48-S68 PolarHBondContact O-N 3.4Å; S49-S68 CarbonylContact C-O 3.6Å; S49-S68 WeakPolarHBondContact CA-O 3.4Å; V50-S68 PolarHBondContact N-O 3.47Å; S68-S88 CarbonylContact C-O 3.56Å; S68-S88 WeakPolarHBondContact CA-O 3.25Å; S68-S88 WeakPolarHBondContact CB-OG 3.42Å; S68-S88 PolarHBondContact OG-OG 3.45Å; S68-S88 VanDerWaalsContact OG-OG 3.07Å
69	V	58.4	Low	53.7	Low	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.4	175.6	175.2	0	0	0	0	111	F41 V50 I52 I62 L67 I71 S88 C89 S90	F41-V69 HydrophobicContact CE1-CG2 4.42Å; F41-V69 HydrophobicContact CE2-CG1 4.22Å; F41-V69 HydrophobicContact CE2-CG2 4.14Å; F41-V69 HydrophobicContact CZ-CG1 4Å; F41-V69 HydrophobicContact CZ-CG2 4.01Å; V50-V69 HydrophobicContact CB-CG2 4.35Å; V50-V69 WeakPolarHBondContact O-CA 3.46Å; I52-V69 HydrophobicContact CD1-CG1 4.06Å; I52-V69 HydrophobicContact CG1-CG1 4.41Å; I62-V69 HydrophobicContact CD1-CB 3.68Å; I62-V69 HydrophobicContact CD1-CG1 4.2Å; I62-V69 HydrophobicContact CD1-CG2 3.09Å; L67-V69 HydrophobicContact CD1-CG2 4.19Å; L67-V69 HydrophobicContact CD2-CG2 3.82Å; L67-V69 HydrophobicContact CG-CG2 3.78Å; V69-I71 HydrophobicContact CG1-CG1 4.02Å; V69-S88 PolarHBondContact N-O 2.84Å; V69-C89 CarbonylContact O-C 3.5Å; V69-C89 VanDerWaalsContact O-CA 3.29Å; V69-C89 WeakPolarHBondContact O-CA 3.37Å; V69-S90 PolarHBondContact O-N 2.89Å
70	V	57.7	Low	53.7	Low	20 Å²	20	42.2 Å²	42.2	12%	0.121	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.9	173.2	-176.2	0	0	0	0	109	V50 F51 I52 E72 S90 K92	V50-V70 PolarHBondContact O-N 3.3Å; F51-V70 CarbonylContact C-O 3.4Å; F51-V70 WeakPolarHBondContact CA-O 3.43Å; F51-V70 HydrophobicContact CD1-CB 3.83Å; F51-V70 HydrophobicContact CD1-CG1 4.11Å; F51-V70 HydrophobicContact CD1-CG2 4.37Å; F51-V70 HydrophobicContact CE1-CB 3.9Å; F51-V70 HydrophobicContact CE1-CG1 4.13Å; F51-V70 HydrophobicContact CE1-CG2 3.95Å; F51-V70 HydrophobicContact CE2-CG2 4.42Å; F51-V70 HydrophobicContact CG-CB 4.24Å; F51-V70 HydrophobicContact CZ-CB 4.36Å; F51-V70 HydrophobicContact CZ-CG2 4Å; I52-V70 PolarHBondContact N-O 3.22Å; V70-E72 HydrophobicContact CG1-CG 4.5Å; V70-S90 CarbonylContact C-O 2.96Å; V70-S90 VanDerWaalsContact CA-O 3.23Å; V70-S90 WeakPolarHBondContact CA-O 3.13Å; V70-K92 HydrophobicContact CG1-CD 4.47Å
71	I	57.2	Low	53.7	Low	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	116.5	173.1	-48.5	-175.6	0	0	0	107.5	I52 V60 V69 A74 S90 I91 K92	I52-I71 HydrophobicContact CB-CG1 4.37Å; I52-I71 HydrophobicContact CB-CG2 4.35Å; I52-I71 HydrophobicContact CD1-CD1 4.11Å; I52-I71 HydrophobicContact CD1-CG1 3.88Å; I52-I71 HydrophobicContact CG1-CG1 4.41Å; V60-I71 HydrophobicContact CG2-CD1 3.87Å; V69-I71 HydrophobicContact CG1-CG1 4.02Å; I71-A74 HydrophobicContact CG2-CB 4.2Å; I71-S90 PolarHBondContact N-O 3.19Å; I71-I91 HydrophobicContact CB-CB 4.44Å; I71-I91 HydrophobicContact CB-CD1 4.34Å; I71-I91 HydrophobicContact CB-CG1 3.95Å; I71-I91 HydrophobicContact CB-CG2 4.11Å; I71-I91 HydrophobicContact CD1-CD1 3.78Å; I71-I91 HydrophobicContact CD1-CG1 4.2Å; I71-I91 HydrophobicContact CG1-CD1 4.25Å; I71-I91 HydrophobicContact CG1-CG1 4.12Å; I71-I91 HydrophobicContact CG2-CG2 4.49Å; I71-I91 CarbonylContact O-C 3.57Å; I71-I91 VanDerWaalsContact O-CA 3.31Å; I71-I91 WeakPolarHBondContact O-CA 3.42Å; I71-K92 PolarHBondContact O-N 2.86Å
72	E	54.5	Low	53.7	Low	88 Å²	88	43.6 Å²	43.6	41%	0.411	23%	0.228	S	C	.	.	S	Bend	trans	-85.4	-18.8	-174.3	-63.6	-171.2	139.3	0	0	114.1	I52 V70 K92	I52-E72 PolarHBondContact O-N 3.31Å; V70-E72 HydrophobicContact CG1-CG 4.5Å; E72-K92 CarbonylContact C-O 3.53Å; E72-K92 CarbonylContact O-C 3.55Å
73	K	56	Low	53.7	Low	119 Å²	119	46.3 Å²	46.3	52%	0.517	25%	0.247	S	C	.	.			trans	-155.5	102	174.3	-166.9	169.5	-176.7	169.9	0	110.5	A55	A55-K73 PolarHBondContact N-O 2.64Å
74	A	57.7	Low	53.7	Low	3 Å²	3	42.7 Å²	42.7	3%	0.025	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-97.9	132.2	169.1	0	0	0	0	0	109.2	I71 I91 P95 Y98	I71-A74 HydrophobicContact CG2-CB 4.2Å; A74-I91 HydrophobicContact CB-CG2 3.92Å; A74-P95 WeakPolarHBondContact O-CD 2.93Å; A74-Y98 HydrophobicContact CB-CD2 4.29Å; A74-Y98 HydrophobicContact CB-CE2 3.81Å
75	T	56.6	Low	54	Low	57 Å²	57	46.2 Å²	46.2	35%	0.35	26%	0.262	S	S	.	.	S	Bend	trans	-94.3	-18.7	-179.8	57.7	0	0	0	0	114.1	T56	T56-T75 PolarHBondContact OG1-OG1 3.1Å; T56-T75 VanDerWaalsContact OG1-OG1 3.12Å
76	N	53.4	Low	54.2	Low	74 Å²	74	47.1 Å²	47.1	40%	0.396	26%	0.263	S	S	.	.	S	Bend	trans	-129.3	165.7	179.3	-71	-14.8	0	0	0	110.1	A78 Y98	N76-A78 PolarHBondContact O-N 3.36Å; N76-Y98 VanDerWaalsContact O-CE2 3.31Å; N76-Y98 WeakPolarHBondContact O-CE2 3.13Å
77	Q	53.6	Low	54.3	Low	108 Å²	108	43.7 Å²	43.7	51%	0.505	25%	0.245	S	C	.	.			trans	-57	132.4	165.1	-175.6	177.4	5.2	0	0	108.5
78	A	51.5	Low	54.4	Low	0 Å²	0	46 Å²	46	0%	0	26%	0.262	C	S	.	.			trans	-128.7	130.3	173.7	0	0	0	0	0	110.8	V57 E58 V60 N76 Y98	V57-A78 HydrophobicContact CB-CB 4.26Å; V57-A78 WeakPolarHBondContact O-CB 3.2Å; E58-A78 WeakPolarHBondContact O-CA 3.35Å; V60-A78 HydrophobicContact CG2-CB 4.33Å; N76-A78 PolarHBondContact O-N 3.36Å; A78-Y98 WeakPolarHBondContact CA-OH 3.26Å; A78-Y98 HydrophobicContact CB-CE2 4.09Å; A78-Y98 WeakPolarHBondContact CB-OH 3.47Å; A78-Y98 PolarHBondContact O-OH 2.89Å
79	D	49.6	Very low	54.4	Low	71 Å²	71	44.9 Å²	44.9	38%	0.38	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	133	173.7	-67.6	-38.4	0	0	0	110.3	E58 V60	E58-D79 PolarHBondContact O-N 2.93Å; V60-D79 PolarHBondContact N-O 3.41Å
80	F	52.3	Low	54.1	Low	6 Å²	6	47.7 Å²	47.7	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	91	-178.4	-179	-104.9	0	0	0	111.6	V60 I62 T82 C89 L100 F101	V60-F80 HydrophobicContact CG1-CD2 4.43Å; I62-F80 HydrophobicContact CB-CE2 4.15Å; I62-F80 HydrophobicContact CB-CZ 4.32Å; I62-F80 HydrophobicContact CD1-CD2 4.45Å; I62-F80 HydrophobicContact CD1-CE2 3.42Å; I62-F80 VanDerWaalsContact CD1-CE2 3.42Å; I62-F80 HydrophobicContact CD1-CZ 4.06Å; I62-F80 HydrophobicContact CG1-CD2 4.32Å; I62-F80 HydrophobicContact CG1-CE2 3.48Å; I62-F80 VanDerWaalsContact CG1-CE2 3.48Å; I62-F80 HydrophobicContact CG1-CZ 4.12Å; F80-T82 HydrophobicContact CD1-CG2 4.4Å; F80-T82 HydrophobicContact CE1-CG2 3.62Å; F80-T82 HydrophobicContact CZ-CG2 4.25Å; F80-C89 HydrophobicContact CD1-CB 3.79Å; F80-C89 HydrophobicContact CD2-CB 3.44Å; F80-C89 VanDerWaalsContact CD2-CB 3.44Å; F80-C89 HydrophobicContact CE1-CB 3.64Å; F80-C89 HydrophobicContact CE2-CB 3.27Å; F80-C89 HydrophobicContact CG-CB 3.7Å; F80-C89 HydrophobicContact CZ-CB 3.41Å; F80-C89 VanDerWaalsContact CZ-CB 3.41Å; F80-L100 HydrophobicContact CB-CD2 3.83Å; F80-L100 HydrophobicContact CG-CD2 4.16Å; F80-F101 CarbonylContact C-O 3.54Å; F80-F101 CarbonylContact O-C 3.49Å
81	I	52.1	Low	53.9	Low	50 Å²	50	48.2 Å²	48.2	26%	0.256	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	117.5	178.8	-55.6	172.7	0	0	0	108	V60 I62	V60-I81 PolarHBondContact O-N 3.12Å; V60-I81 VanDerWaalsContact O-N 3.14Å; I62-I81 PolarHBondContact N-O 3.12Å
82	T	52.2	Low	53.8	Low	1 Å²	1	54.7 Å²	54.7	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.6	171.8	-171.2	0	0	0	0	111.2	I62 F80 A84 S87 Q102	I62-T82 WeakPolarHBondContact O-CA 3.47Å; I62-T82 PolarHBondContact O-OG1 3.03Å; F80-T82 HydrophobicContact CD1-CG2 4.4Å; F80-T82 HydrophobicContact CE1-CG2 3.62Å; F80-T82 HydrophobicContact CZ-CG2 4.25Å; T82-A84 VanDerWaalsContact C-N 3.34Å; T82-A84 PolarHBondContact OG1-N 2.84Å; T82-S87 WeakPolarHBondContact OG1-CB 3.45Å; T82-Q102 HydrophobicContact CG2-CG 3.96Å
83	S	50	Low	53.4	Low	57 Å²	57	53.4 Å²	53.4	40%	0.399	31%	0.314	S	S	.	.			trans	-95.7	15.1	175.5	70.7	0	0	0	0	112.7	I62	I62-S83 PolarHBondContact O-N 2.93Å
84	A	52.8	Low	53.2	Low	12 Å²	12	49.2 Å²	49.2	10%	0.099	30%	0.302	C	S	.	.	S	Bend	trans	-130.2	131.6	-173.8	0	0	0	0	0	112.2	A64 T82 N86 S87	A64-A84 WeakPolarHBondContact O-CB 3.15Å; T82-A84 VanDerWaalsContact C-N 3.34Å; T82-A84 PolarHBondContact OG1-N 2.84Å; A84-N86 PolarHBondContact O-N 2.94Å; A84-N86 VanDerWaalsContact O-N 3.14Å; A84-S87 PolarHBondContact O-N 2.88Å
85	A	53.7	Low	52.8	Low	82 Å²	82	52 Å²	52	68%	0.678	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-31.8	-173.6	0	0	0	0	0	114.3
86	N	54.8	Low	52.4	Low	115 Å²	115	57.3 Å²	57.3	62%	0.615	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	15.5	-174.1	-62.5	-26.8	0	0	0	113.4	D66 A84	D66-N86 WeakPolarHBondContact OD1-CB 3.4Å; D66-N86 PolarHBondContact OD1-ND2 3.24Å; A84-N86 PolarHBondContact O-N 2.94Å; A84-N86 VanDerWaalsContact O-N 3.14Å
87	S	56	Low	52	Low	7 Å²	7	60.4 Å²	60.4	5%	0.049	36%	0.362	C	S	.	.			trans	-86.8	137.2	177.6	-77.4	0	0	0	0	110.3	A64 L67 T82 A84	A64-S87 PolarHBondContact O-OG 3.3Å; L67-S87 PolarHBondContact N-OG 3.14Å; L67-S87 CarbonylContact O-C 3.54Å; L67-S87 WeakPolarHBondContact O-CA 3.16Å; L67-S87 WeakPolarHBondContact O-CB 3.42Å; L67-S87 PolarHBondContact O-OG 2.8Å; T82-S87 WeakPolarHBondContact OG1-CB 3.45Å; A84-S87 PolarHBondContact O-N 2.88Å
88	S	56.3	Low	51.3	Low	52 Å²	52	56.9 Å²	56.9	36%	0.364	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.4	179.3	69.9	0	0	0	0	110.3	L67 S68 V69	L67-S88 PolarHBondContact O-N 3.32Å; S68-S88 CarbonylContact C-O 3.56Å; S68-S88 WeakPolarHBondContact CA-O 3.25Å; S68-S88 WeakPolarHBondContact CB-OG 3.42Å; S68-S88 PolarHBondContact OG-OG 3.45Å; S68-S88 VanDerWaalsContact OG-OG 3.07Å; V69-S88 PolarHBondContact N-O 2.84Å
89	C	56.7	Low	50.9	Low	19 Å²	19	59.2 Å²	59.2	13%	0.128	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.3	171.5	-171.9	0	0	0	0	109.9	V69 F80 L100	V69-C89 CarbonylContact O-C 3.5Å; V69-C89 VanDerWaalsContact O-CA 3.29Å; V69-C89 WeakPolarHBondContact O-CA 3.37Å; F80-C89 HydrophobicContact CD1-CB 3.79Å; F80-C89 HydrophobicContact CD2-CB 3.44Å; F80-C89 VanDerWaalsContact CD2-CB 3.44Å; F80-C89 HydrophobicContact CE1-CB 3.64Å; F80-C89 HydrophobicContact CE2-CB 3.27Å; F80-C89 HydrophobicContact CG-CB 3.7Å; F80-C89 HydrophobicContact CZ-CB 3.41Å; F80-C89 VanDerWaalsContact CZ-CB 3.41Å; C89-L100 HydrophobicContact CB-CD2 3.93Å
90	S	52.7	Low	50.4	Low	61 Å²	61	59.9 Å²	59.9	43%	0.427	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133.5	176.2	-65.9	0	0	0	0	108.8	V69 V70 I71	V69-S90 PolarHBondContact O-N 2.89Å; V70-S90 CarbonylContact C-O 2.96Å; V70-S90 VanDerWaalsContact CA-O 3.23Å; V70-S90 WeakPolarHBondContact CA-O 3.13Å; I71-S90 PolarHBondContact N-O 3.19Å
91	I	52.3	Low	49.9	Very low	30 Å²	30	64.9 Å²	64.9	15%	0.154	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	113.2	-175.3	-56.6	-174.6	0	0	0	107.6	I71 A74 A94 Y98 L100	I71-I91 HydrophobicContact CB-CB 4.44Å; I71-I91 HydrophobicContact CB-CD1 4.34Å; I71-I91 HydrophobicContact CB-CG1 3.95Å; I71-I91 HydrophobicContact CB-CG2 4.11Å; I71-I91 HydrophobicContact CD1-CD1 3.78Å; I71-I91 HydrophobicContact CD1-CG1 4.2Å; I71-I91 HydrophobicContact CG1-CD1 4.25Å; I71-I91 HydrophobicContact CG1-CG1 4.12Å; I71-I91 HydrophobicContact CG2-CG2 4.49Å; I71-I91 CarbonylContact O-C 3.57Å; I71-I91 VanDerWaalsContact O-CA 3.31Å; I71-I91 WeakPolarHBondContact O-CA 3.42Å; A74-I91 HydrophobicContact CB-CG2 3.92Å; I91-A94 HydrophobicContact CG2-CB 3.72Å; I91-Y98 HydrophobicContact CB-CE1 4.38Å; I91-Y98 HydrophobicContact CD1-CD1 4.24Å; I91-Y98 HydrophobicContact CD1-CE1 3.25Å; I91-Y98 HydrophobicContact CD1-CE2 4.05Å; I91-Y98 WeakPolarHBondContact CD1-OH 3.08Å; I91-Y98 HydrophobicContact CG1-CE1 4.25Å; I91-Y98 HydrophobicContact CG2-CE2 4.44Å; I91-L100 HydrophobicContact CD1-CD2 4.24Å
92	K	54.3	Low	49.5	Very low	136 Å²	136	68 Å²	68	59%	0.591	40%	0.4	S	S	*	.	S	Bend	trans	-94.4	137	176	-61.1	-174.7	178.1	-176.8	0	106.8	V70 I71 E72 A94	V70-K92 HydrophobicContact CG1-CD 4.47Å; I71-K92 PolarHBondContact O-N 2.86Å; E72-K92 CarbonylContact C-O 3.53Å; E72-K92 CarbonylContact O-C 3.55Å; K92-A94 PolarHBondContact O-N 3.46Å
93	G	47.7	Very low	49.2	Very low	62 Å²	62	75.1 Å²	75.1	64%	0.639	43%	0.43	S	S	*	.	S	Bend	trans	70.1	26.1	176.9	0	0	0	0	0	115.5
94	A	51.2	Low	49	Very low	30 Å²	30	78.7 Å²	78.7	25%	0.248	44%	0.441	C	S	.	.			trans	-68.8	147.1	167.7	0	0	0	0	0	110.3	I91 K92 Y98	I91-A94 HydrophobicContact CG2-CB 3.72Å; K92-A94 PolarHBondContact O-N 3.46Å; A94-Y98 HydrophobicContact CB-CD1 4.26Å; A94-Y98 HydrophobicContact CB-CD2 3.58Å; A94-Y98 HydrophobicContact CB-CE2 4.5Å; A94-Y98 HydrophobicContact CB-CG 3.42Å; A94-Y98 VanDerWaalsContact CB-CG 3.42Å
95	P	49.3	Very low	48.6	Very low	61 Å²	61	83.1 Å²	83.1	40%	0.396	46%	0.459	S	S	.	.			trans	-58.8	152.4	167	24.3	-31.5	0	0	0	110	A74 N97 Y98	A74-P95 WeakPolarHBondContact O-CD 2.93Å; P95-N97 PolarHBondContact O-N 2.72Å; P95-Y98 WeakPolarHBondContact O-CB 2.85Å; P95-Y98 PolarHBondContact O-N 3.08Å
96	D	47.6	Very low	48.1	Very low	169 Å²	169	84.1 Å²	84.1	90%	0.904	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-20.4	-170.3	-59.7	-53.4	0	0	0	114.7	Y98	D96-Y98 VanDerWaalsContact C-N 3.34Å; D96-Y98 PolarHBondContact O-N 2.86Å
97	N	45.1	Very low	47.6	Very low	140 Å²	140	84.4 Å²	84.4	75%	0.749	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	18.8	-179.4	-61.4	-26.1	0	0	0	114.2	P95 S99	P95-N97 PolarHBondContact O-N 2.72Å; N97-S99 PolarHBondContact O-N 3.28Å
98	Y	39.8	Very low	47	Very low	34 Å²	34	88.4 Å²	88.4	13%	0.133	50%	0.503	C	S	.	.			trans	-77.3	125	179.2	-158.8	-81.4	0	0	0	111.5	A74 N76 A78 I91 A94 P95 D96 L100	A74-Y98 HydrophobicContact CB-CD2 4.29Å; A74-Y98 HydrophobicContact CB-CE2 3.81Å; N76-Y98 VanDerWaalsContact O-CE2 3.31Å; N76-Y98 WeakPolarHBondContact O-CE2 3.13Å; A78-Y98 WeakPolarHBondContact CA-OH 3.26Å; A78-Y98 HydrophobicContact CB-CE2 4.09Å; A78-Y98 WeakPolarHBondContact CB-OH 3.47Å; A78-Y98 PolarHBondContact O-OH 2.89Å; I91-Y98 HydrophobicContact CB-CE1 4.38Å; I91-Y98 HydrophobicContact CD1-CD1 4.24Å; I91-Y98 HydrophobicContact CD1-CE1 3.25Å; I91-Y98 HydrophobicContact CD1-CE2 4.05Å; I91-Y98 WeakPolarHBondContact CD1-OH 3.08Å; I91-Y98 HydrophobicContact CG1-CE1 4.25Å; I91-Y98 HydrophobicContact CG2-CE2 4.44Å; A94-Y98 HydrophobicContact CB-CD1 4.26Å; A94-Y98 HydrophobicContact CB-CD2 3.58Å; A94-Y98 HydrophobicContact CB-CE2 4.5Å; A94-Y98 HydrophobicContact CB-CG 3.42Å; A94-Y98 VanDerWaalsContact CB-CG 3.42Å; P95-Y98 WeakPolarHBondContact O-CB 2.85Å; P95-Y98 PolarHBondContact O-N 3.08Å; D96-Y98 VanDerWaalsContact C-N 3.34Å; D96-Y98 PolarHBondContact O-N 2.86Å; Y98-L100 HydrophobicContact CD1-CG 4.36Å; Y98-L100 HydrophobicContact CE1-CD2 4.43Å; Y98-L100 HydrophobicContact CE1-CG 3.96Å
99	S	43.4	Very low	46.1	Very low	48 Å²	48	91.3 Å²	91.3	34%	0.336	52%	0.523	S	S	.	.			trans	-117	123.8	174.8	-65.6	0	0	0	0	110.2	N97	N97-S99 PolarHBondContact O-N 3.28Å
100	L	39	Very low	45.2	Very low	85 Å²	85	99.4 Å²	99.4	45%	0.445	56%	0.559	S	S	.	*			trans	-88.4	107.4	170.7	-87.5	151.5	0	0	0	108.4	F80 C89 I91 Y98	F80-L100 HydrophobicContact CB-CD2 3.83Å; F80-L100 HydrophobicContact CG-CD2 4.16Å; C89-L100 HydrophobicContact CB-CD2 3.93Å; I91-L100 HydrophobicContact CD1-CD2 4.24Å; Y98-L100 HydrophobicContact CD1-CG 4.36Å; Y98-L100 HydrophobicContact CE1-CD2 4.43Å; Y98-L100 HydrophobicContact CE1-CG 3.96Å
101	F	41.8	Very low	44.6	Very low	112 Å²	112	107.7 Å²	107.7	49%	0.491	60%	0.598	S	S	.	*			trans	-104.2	101.7	173	-65.4	-73.5	0	0	0	110	F80 K103	F80-F101 CarbonylContact C-O 3.54Å; F80-F101 CarbonylContact O-C 3.49Å; F101-K103 PolarHBondContact O-N 2.96Å
102	Q	43.5	Very low	44.2	Very low	116 Å²	116	111.6 Å²	111.6	54%	0.542	62%	0.62	S	S	.	*			trans	-75.4	105.2	169.3	176.8	169.1	-8.8	0	0	108.9	T82	T82-Q102 HydrophobicContact CG2-CG 3.96Å
103	K	45.7	Very low	43.6	Very low	149 Å²	149	110.3 Å²	110.3	65%	0.648	62%	0.622	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.7	109.3	169.3	-167.5	175.4	-177.2	179.7	0	108.9	F101 E105	F101-K103 PolarHBondContact O-N 2.96Å; K103-E105 PolarHBondContact O-N 2.82Å
104	E	44.5	Very low	43.4	Very low	132 Å²	132	112.9 Å²	112.9	62%	0.617	62%	0.621	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.8	115.2	168.8	-66.9	-178.9	112.5	0	0	108.2	S106	E104-S106 PolarHBondContact O-N 3.17Å; E104-S106 VanDerWaalsContact O-N 3.1Å
105	E	44.2	Very low	42.9	Very low	106 Å²	106	117.8 Å²	117.8	50%	0.495	64%	0.643	S	S	.	*			trans	-67.3	105.9	160.9	-94.5	-172	89.9	0	0	106.5	K63 K103	K63-E105 IonicContact NZ-OE2 2.82Å; K63-E105 PolarHBondContact NZ-OE2 3.17Å; K103-E105 PolarHBondContact O-N 2.82Å
106	S	43.6	Very low	42.5	Very low	102 Å²	102	121.4 Å²	121.4	71%	0.713	66%	0.658	S	S	*	*			trans	-53.9	131.4	166	-53.5	0	0	0	0	107.8	E104 A108	E104-S106 PolarHBondContact O-N 3.17Å; E104-S106 VanDerWaalsContact O-N 3.1Å; S106-A108 PolarHBondContact O-N 3.19Å; S106-A108 VanDerWaalsContact O-N 3.1Å
107	P	44.3	Very low	42.2	Very low	122 Å²	122	118.2 Å²	118.2	79%	0.792	64%	0.642	S	S	*	*			trans	-53.6	126.1	178.1	21	-30.6	0	0	0	107.9	S109	P107-S109 PolarHBondContact O-N 2.62Å
108	A	44.2	Very low	42	Very low	90 Å²	90	116.6 Å²	116.6	74%	0.744	63%	0.634	S	S	*	*			trans	-46.6	114.2	179.4	0	0	0	0	0	108.2	S106 H110	S106-A108 PolarHBondContact O-N 3.19Å; S106-A108 VanDerWaalsContact O-N 3.1Å; A108-H110 PolarHBondContact O-N 3.21Å
109	S	37.9	Very low	42.2	Very low	114 Å²	114	123 Å²	123	80%	0.797	67%	0.673	S	S	*	*			trans	-57.8	106.6	-178.5	-157.6	0	0	0	0	107.2	P107 N111	P107-S109 PolarHBondContact O-N 2.62Å; S109-N111 PolarHBondContact O-N 3.45Å
110	H	37.2	Very low	42.1	Very low	188 Å²	188	129.3 Å²	129.3	87%	0.87	70%	0.701	S	S	*	*			trans	-59.5	118	168.3	-96.7	-127.3	0	0	0	107	A108	A108-H110 PolarHBondContact O-N 3.21Å
111	N	38.9	Very low	42.4	Very low	235 Å²	235	133.3 Å²	133.3	100%	1.257	72%	0.724	S	S	*	*			trans	-120.4	0	158.6	-122.1	-14.7	0	0	0	106.4	S109	S109-N111 PolarHBondContact O-N 3.45Å

Retrieved 111 of 111 residues in 160.3 ms (Link to these results)

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