A0A3Q0KQD2_SCHMA Loading...

Hypotheticial protein

AlphaFold DB , UniProt , Accession A0A3Q0KQD2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 93 aa.

						>A0A3Q0KQD2_SCHMA|A0A3Q0KQD2
MYTITKPNTICLTMFISLLILNTIHCYLTYNPNDILPDWDIINHDQNEVYSMKLPIHYNTENPLQSTLLSYWNHYFTDNEPRRYGHYSQRLGK
					

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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	42.3	Very low	67.9	Low	238 Å²	238	129.2 Å²	129.2	100%	1.172	67%	0.672	S	S	*	*				0	87.7	0	-161.2	172.8	176.8	0	0	106.8	T3	M1-T3 PolarHBondContact O-N 3.3Å
2	Y	51.8	Low	69.7	Low	229 Å²	229	127.3 Å²	127.3	90%	0.898	66%	0.663	S	S	*	*			trans	-77.5	109.3	178.3	-74	-81.3	0	0	0	107.6	I4	Y2-I4 PolarHBondContact O-N 2.77Å; Y2-I4 VanDerWaalsContact O-N 3.16Å
3	T	58.9	Low	71.1	Confident	117 Å²	117	123.5 Å²	123.5	72%	0.718	65%	0.649	S	S	*	*			trans	-62.9	114.9	169.7	44.4	0	0	0	0	107.5	M1 T5	M1-T3 PolarHBondContact O-N 3.3Å; T3-T5 PolarHBondContact O-N 3.16Å
4	I	59.5	Low	72.4	Confident	163 Å²	163	122.9 Å²	122.9	84%	0.836	64%	0.643	S	S	*	*			trans	-62.5	88.8	170.1	-60.8	166.8	0	0	0	106.4	Y2 K6	Y2-I4 PolarHBondContact O-N 2.77Å; Y2-I4 VanDerWaalsContact O-N 3.16Å; I4-K6 PolarHBondContact O-N 3.23Å
5	T	61.1	Low	73.7	Confident	75 Å²	75	124.1 Å²	124.1	46%	0.46	64%	0.641	S	S	.	*			trans	-63.6	119.1	169	43	0	0	0	0	106.4	T3 I10	T3-T5 PolarHBondContact O-N 3.16Å; T5-I10 WeakPolarHBondContact OG1-CD1 3.34Å
6	K	71.2	Confident	74.9	Confident	152 Å²	152	121.3 Å²	121.3	66%	0.661	63%	0.627	S	S	*	*			trans	-52.6	136.5	177.1	-67.2	178.1	178.6	177.6	0	107.7	I4 N8 T9 I10	I4-K6 PolarHBondContact O-N 3.23Å; K6-N8 PolarHBondContact O-N 2.75Å; K6-T9 HydrophobicContact CB-CG2 4.34Å; K6-T9 PolarHBondContact N-OG1 3.39Å; K6-T9 PolarHBondContact O-N 3.47Å; K6-T9 PolarHBondContact O-OG1 2.74Å; K6-I10 PolarHBondContact O-N 3.02Å
7	P	74.8	Confident	75.9	Confident	93 Å²	93	118.1 Å²	118.1	60%	0.604	62%	0.617	S	S	*	*	H	α-helix	trans	-52.4	-34.7	-178.7	19.8	-32.2	0	0	0	111.9	T9 I10 C11	P7-T9 VanDerWaalsContact C-N 3.35Å; P7-T9 PolarHBondContact O-N 3.31Å; P7-I10 PolarHBondContact O-N 3.18Å; P7-C11 PolarHBondContact O-N 3.46Å; P7-C11 PolarHBondContact O-SG 3.03Å; P7-C11 VanDerWaalsContact O-SG 3.39Å
8	N	78.6	Confident	76.9	Confident	128 Å²	128	117.2 Å²	117.2	68%	0.684	61%	0.612	S	S	*	*	H	α-helix	trans	-60.3	-37.5	175	-63.1	0.4	0	0	0	113.8	K6 L12	K6-N8 PolarHBondContact O-N 2.75Å; N8-L12 WeakPolarHBondContact O-CB 3.28Å; N8-L12 PolarHBondContact O-N 3.37Å
9	T	80.7	Confident	77.7	Confident	69 Å²	69	115.9 Å²	115.9	42%	0.423	61%	0.606	S	S	.	*	H	α-helix	trans	-71	-37.8	178.4	55.7	0	0	0	0	111	K6 P7 L12 T13	K6-T9 HydrophobicContact CB-CG2 4.34Å; K6-T9 PolarHBondContact N-OG1 3.39Å; K6-T9 PolarHBondContact O-N 3.47Å; K6-T9 PolarHBondContact O-OG1 2.74Å; P7-T9 VanDerWaalsContact C-N 3.35Å; P7-T9 PolarHBondContact O-N 3.31Å; T9-L12 PolarHBondContact O-N 3.21Å; T9-T13 VanDerWaalsContact O-CG2 3.3Å; T9-T13 WeakPolarHBondContact O-CG2 3.4Å; T9-T13 PolarHBondContact O-N 3.38Å; T9-T13 PolarHBondContact O-OG1 3.01Å
10	I	83.2	Confident	78.5	Confident	75 Å²	75	114.5 Å²	114.5	39%	0.385	60%	0.598	S	S	.	*	H	α-helix	trans	-62.1	-51.4	174.6	-63.5	164	0	0	0	109.7	T5 K6 P7 L12 T13 M14	T5-I10 WeakPolarHBondContact OG1-CD1 3.34Å; K6-I10 PolarHBondContact O-N 3.02Å; P7-I10 PolarHBondContact O-N 3.18Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 3.24Å; I10-T13 PolarHBondContact O-N 3.01Å; I10-T13 PolarHBondContact O-OG1 3.39Å; I10-M14 HydrophobicContact CG2-CG 4.45Å; I10-M14 HydrophobicContact CG2-SD 4.14Å; I10-M14 WeakPolarHBondContact O-CG 3.36Å; I10-M14 PolarHBondContact O-N 2.98Å
11	C	85.1	Confident	79.1	Confident	82 Å²	82	114.3 Å²	114.3	55%	0.554	60%	0.597	S	S	*	*	H	α-helix	trans	-57.1	-43.4	179.2	-68.5	0	0	0	0	112.4	P7 M14 F15	P7-C11 PolarHBondContact O-N 3.46Å; P7-C11 PolarHBondContact O-SG 3.03Å; P7-C11 VanDerWaalsContact O-SG 3.39Å; C11-M14 PolarHBondContact O-N 3.29Å; C11-F15 PolarHBondContact O-N 2.97Å
12	L	88.7	Confident	81.3	Confident	107 Å²	107	108.2 Å²	108.2	56%	0.56	57%	0.569	S	S	*	*	H	α-helix	trans	-64.7	-42.3	179	-173.5	136.8	0	0	0	111.9	N8 T9 I10 M14 F15 I16	N8-L12 WeakPolarHBondContact O-CB 3.28Å; N8-L12 PolarHBondContact O-N 3.37Å; T9-L12 PolarHBondContact O-N 3.21Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 3.24Å; L12-M14 PolarHBondContact O-N 2.76Å; L12-F15 PolarHBondContact O-N 2.83Å; L12-I16 HydrophobicContact CD2-CD1 3.5Å; L12-I16 HydrophobicContact CG-CD1 4.16Å; L12-I16 WeakPolarHBondContact O-CG1 3.36Å; L12-I16 PolarHBondContact O-N 3.34Å
13	T	88	Confident	82.8	Confident	78 Å²	78	101.1 Å²	101.1	48%	0.479	55%	0.55	S	S	.	.	H	α-helix	trans	-65.6	-36	176	57.4	0	0	0	0	113.1	T9 I10 S17	T9-T13 VanDerWaalsContact O-CG2 3.3Å; T9-T13 WeakPolarHBondContact O-CG2 3.4Å; T9-T13 PolarHBondContact O-N 3.38Å; T9-T13 PolarHBondContact O-OG1 3.01Å; I10-T13 PolarHBondContact O-N 3.01Å; I10-T13 PolarHBondContact O-OG1 3.39Å; T13-S17 WeakPolarHBondContact O-CB 3.32Å; T13-S17 PolarHBondContact O-N 2.87Å; T13-S17 PolarHBondContact O-OG 3.38Å
14	M	89.4	Confident	84.1	Confident	115 Å²	115	99.7 Å²	99.7	57%	0.567	54%	0.537	S	S	*	.	H	α-helix	trans	-65.8	-45.1	174.3	-71.8	-178.1	69.9	0	0	111.3	I10 C11 L12 S17 L18	I10-M14 HydrophobicContact CG2-CG 4.45Å; I10-M14 HydrophobicContact CG2-SD 4.14Å; I10-M14 WeakPolarHBondContact O-CG 3.36Å; I10-M14 PolarHBondContact O-N 2.98Å; C11-M14 PolarHBondContact O-N 3.29Å; L12-M14 PolarHBondContact O-N 2.76Å; M14-S17 PolarHBondContact O-N 2.91Å; M14-L18 WeakPolarHBondContact O-CG 3.3Å; M14-L18 PolarHBondContact O-N 3.47Å
15	F	91.9	Very high	85.1	Confident	141 Å²	141	97.4 Å²	97.4	62%	0.618	52%	0.522	S	S	*	.	H	α-helix	trans	-61.3	-46	178.3	-178.2	-96.2	0	0	0	112.1	C11 L12 S17 L18 L19	C11-F15 PolarHBondContact O-N 2.97Å; L12-F15 PolarHBondContact O-N 2.83Å; F15-S17 VanDerWaalsContact C-N 3.34Å; F15-S17 PolarHBondContact O-N 3.01Å; F15-L18 PolarHBondContact O-N 2.97Å; F15-L19 WeakPolarHBondContact O-CB 3.4Å; F15-L19 PolarHBondContact O-N 3.41Å
16	I	92.4	Very high	85.8	Confident	79 Å²	79	97.6 Å²	97.6	41%	0.405	53%	0.526	S	S	.	.	H	α-helix	trans	-61.9	-43.6	177.3	-67.9	170.5	0	0	0	110.7	L12 L18 L19 I20	L12-I16 HydrophobicContact CD2-CD1 3.5Å; L12-I16 HydrophobicContact CG-CD1 4.16Å; L12-I16 WeakPolarHBondContact O-CG1 3.36Å; L12-I16 PolarHBondContact O-N 3.34Å; I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L18 PolarHBondContact O-N 3.01Å; I16-L19 PolarHBondContact O-N 3.39Å; I16-I20 HydrophobicContact CG2-CD1 3.8Å; I16-I20 HydrophobicContact CG2-CG1 4.43Å; I16-I20 VanDerWaalsContact O-CG1 3.32Å; I16-I20 WeakPolarHBondContact O-CG1 3.45Å; I16-I20 PolarHBondContact O-N 3.24Å
17	S	92.9	Very high	86	Confident	66 Å²	66	99.2 Å²	99.2	46%	0.462	53%	0.529	S	S	.	.	H	α-helix	trans	-59.7	-43.8	177.1	-58.3	0	0	0	0	112.1	T13 M14 F15 I20 L21	T13-S17 WeakPolarHBondContact O-CB 3.32Å; T13-S17 PolarHBondContact O-N 2.87Å; T13-S17 PolarHBondContact O-OG 3.38Å; M14-S17 PolarHBondContact O-N 2.91Å; F15-S17 VanDerWaalsContact C-N 3.34Å; F15-S17 PolarHBondContact O-N 3.01Å; S17-I20 PolarHBondContact O-N 3.43Å; S17-L21 WeakPolarHBondContact O-CG 3.4Å; S17-L21 PolarHBondContact O-N 3.31Å
18	L	93.1	Very high	85.9	Confident	102 Å²	102	101 Å²	101	53%	0.534	53%	0.533	S	S	.	.	H	α-helix	trans	-65.2	-39.4	176.4	-72.7	169.3	0	0	0	112.4	M14 F15 I16 L21 N22	M14-L18 WeakPolarHBondContact O-CG 3.3Å; M14-L18 PolarHBondContact O-N 3.47Å; F15-L18 PolarHBondContact O-N 2.97Å; I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L18 PolarHBondContact O-N 3.01Å; L18-L21 PolarHBondContact O-N 3.03Å; L18-N22 WeakPolarHBondContact O-CB 3.49Å; L18-N22 PolarHBondContact O-N 2.78Å
19	L	93.3	Very high	85.6	Confident	94 Å²	94	98.7 Å²	98.7	49%	0.492	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-44.3	176.3	-174.9	71.8	0	0	0	111.3	F15 I16 N22 T23	F15-L19 WeakPolarHBondContact O-CB 3.4Å; F15-L19 PolarHBondContact O-N 3.41Å; I16-L19 PolarHBondContact O-N 3.39Å; L19-N22 PolarHBondContact O-N 3.48Å; L19-T23 WeakPolarHBondContact O-CB 3.32Å; L19-T23 VanDerWaalsContact O-CG2 3.32Å; L19-T23 WeakPolarHBondContact O-CG2 3.33Å; L19-T23 PolarHBondContact O-N 3.1Å; L19-T23 PolarHBondContact O-OG1 2.85Å
20	I	92.5	Very high	84.6	Confident	87 Å²	87	100.3 Å²	100.3	45%	0.446	52%	0.523	S	S	.	.	H	α-helix	trans	-62.6	-45.9	176.9	-67.2	166.8	0	0	0	110.4	I16 S17 N22 T23 I24	I16-I20 HydrophobicContact CG2-CD1 3.8Å; I16-I20 HydrophobicContact CG2-CG1 4.43Å; I16-I20 VanDerWaalsContact O-CG1 3.32Å; I16-I20 WeakPolarHBondContact O-CG1 3.45Å; I16-I20 PolarHBondContact O-N 3.24Å; S17-I20 PolarHBondContact O-N 3.43Å; I20-N22 PolarHBondContact O-N 3Å; I20-T23 WeakPolarHBondContact CA-OG1 3.13Å; I20-T23 PolarHBondContact O-N 3.48Å; I20-T23 PolarHBondContact O-OG1 3.31Å; I20-I24 HydrophobicContact CG2-CD1 3.7Å; I20-I24 HydrophobicContact CG2-CG1 4.46Å; I20-I24 VanDerWaalsContact O-CG1 3.28Å; I20-I24 WeakPolarHBondContact O-CG1 3.5Å; I20-I24 PolarHBondContact O-N 3.35Å
21	L	91.6	Very high	83.4	Confident	111 Å²	111	99.5 Å²	99.5	58%	0.581	52%	0.519	S	S	*	.	H	α-helix	trans	-62.3	-43.8	178	-72.1	171.5	0	0	0	112.3	S17 L18 I24 H25	S17-L21 WeakPolarHBondContact O-CG 3.4Å; S17-L21 PolarHBondContact O-N 3.31Å; L18-L21 PolarHBondContact O-N 3.03Å; L21-I24 PolarHBondContact O-N 3.18Å; L21-H25 VanDerWaalsContact O-CB 3.25Å; L21-H25 WeakPolarHBondContact O-CB 3.41Å; L21-H25 PolarHBondContact O-N 2.96Å
22	N	87.8	Confident	81.9	Confident	110 Å²	110	99.1 Å²	99.1	59%	0.588	52%	0.515	S	S	*	.	H	α-helix	trans	-66.3	-38.5	178.3	-82.6	-24.1	0	0	0	112.8	L18 L19 I20 C26	L18-N22 WeakPolarHBondContact O-CB 3.49Å; L18-N22 PolarHBondContact O-N 2.78Å; L19-N22 PolarHBondContact O-N 3.48Å; I20-N22 PolarHBondContact O-N 3Å; N22-C26 WeakPolarHBondContact O-CB 3.5Å; N22-C26 PolarHBondContact O-N 3.46Å
23	T	84.9	Confident	79.9	Confident	79 Å²	79	96.9 Å²	96.9	49%	0.485	50%	0.504	S	S	.	.	H	α-helix	trans	-68	-42.9	177.6	48.1	0	0	0	0	111.6	L19 I20 C26 Y27	L19-T23 WeakPolarHBondContact O-CB 3.32Å; L19-T23 VanDerWaalsContact O-CG2 3.32Å; L19-T23 WeakPolarHBondContact O-CG2 3.33Å; L19-T23 PolarHBondContact O-N 3.1Å; L19-T23 PolarHBondContact O-OG1 2.85Å; I20-T23 WeakPolarHBondContact CA-OG1 3.13Å; I20-T23 PolarHBondContact O-N 3.48Å; I20-T23 PolarHBondContact O-OG1 3.31Å; T23-C26 PolarHBondContact O-N 2.84Å; T23-Y27 WeakPolarHBondContact O-CB 3.17Å; T23-Y27 PolarHBondContact O-N 2.85Å
24	I	84.6	Confident	78.2	Confident	88 Å²	88	99 Å²	99	45%	0.451	51%	0.512	S	S	.	.	H	α-helix	trans	-63.4	-46.7	173.9	-66.4	168.3	0	0	0	110.6	I20 L21 C26 Y27 L28	I20-I24 HydrophobicContact CG2-CD1 3.7Å; I20-I24 HydrophobicContact CG2-CG1 4.46Å; I20-I24 VanDerWaalsContact O-CG1 3.28Å; I20-I24 WeakPolarHBondContact O-CG1 3.5Å; I20-I24 PolarHBondContact O-N 3.35Å; L21-I24 PolarHBondContact O-N 3.18Å; I24-C26 PolarHBondContact O-N 2.89Å; I24-Y27 PolarHBondContact O-N 3.49Å; I24-L28 HydrophobicContact CG2-CD1 3.79Å; I24-L28 HydrophobicContact CG2-CG 4.22Å; I24-L28 WeakPolarHBondContact O-CB 3.41Å; I24-L28 WeakPolarHBondContact O-CG 3.35Å; I24-L28 PolarHBondContact O-N 3.42Å
25	H	80.9	Confident	76.3	Confident	115 Å²	115	97.4 Å²	97.4	53%	0.532	51%	0.506	S	S	.	.	H	α-helix	trans	-59.4	-48.5	177.6	-178.3	-86.8	0	0	0	110.8	L21 Y27 L28 T29	L21-H25 VanDerWaalsContact O-CB 3.25Å; L21-H25 WeakPolarHBondContact O-CB 3.41Å; L21-H25 PolarHBondContact O-N 2.96Å; H25-Y27 VanDerWaalsContact C-N 3.26Å; H25-Y27 PolarHBondContact O-N 2.94Å; H25-L28 PolarHBondContact O-N 2.92Å; H25-L28 VanDerWaalsContact O-N 3.1Å; H25-T29 WeakPolarHBondContact CE1-CG2 3.32Å; H25-T29 WeakPolarHBondContact O-CB 3.47Å; H25-T29 PolarHBondContact O-N 2.96Å; H25-T29 PolarHBondContact O-OG1 3.48Å
26	C	77.1	Confident	74.3	Confident	79 Å²	79	93.6 Å²	93.6	53%	0.534	49%	0.491	S	S	.	.	H	α-helix	trans	-56	-41.2	175.9	-173.8	0	0	0	0	111.9	N22 T23 I24 Y30	N22-C26 WeakPolarHBondContact O-CB 3.5Å; N22-C26 PolarHBondContact O-N 3.46Å; T23-C26 PolarHBondContact O-N 2.84Å; I24-C26 PolarHBondContact O-N 2.89Å; C26-Y30 VanDerWaalsContact O-CA 3.31Å; C26-Y30 WeakPolarHBondContact O-CA 3.1Å; C26-Y30 VanDerWaalsContact O-CB 3.23Å; C26-Y30 WeakPolarHBondContact O-CB 3.24Å; C26-Y30 PolarHBondContact O-N 3.33Å
27	Y	75	Confident	72.2	Confident	185 Å²	185	93.6 Å²	93.6	73%	0.725	50%	0.496	S	S	*	.	H	α-helix	trans	-70.2	-34.3	176.5	-176.2	-96.2	0	0	0	113.5	T23 I24 H25 Y30	T23-Y27 WeakPolarHBondContact O-CB 3.17Å; T23-Y27 PolarHBondContact O-N 2.85Å; I24-Y27 PolarHBondContact O-N 3.49Å; H25-Y27 VanDerWaalsContact C-N 3.26Å; H25-Y27 PolarHBondContact O-N 2.94Å; Y27-Y30 WeakPolarHBondContact O-CB 3.25Å
28	L	73.1	Confident	70.2	Confident	132 Å²	132	92.7 Å²	92.7	69%	0.691	49%	0.486	S	S	*	.	H	α-helix	trans	-78.7	-39.3	178.1	-71.8	174.9	0	0	0	112.6	I24 H25 Y30	I24-L28 HydrophobicContact CG2-CD1 3.79Å; I24-L28 HydrophobicContact CG2-CG 4.22Å; I24-L28 WeakPolarHBondContact O-CB 3.41Å; I24-L28 WeakPolarHBondContact O-CG 3.35Å; I24-L28 PolarHBondContact O-N 3.42Å; H25-L28 PolarHBondContact O-N 2.92Å; H25-L28 VanDerWaalsContact O-N 3.1Å; L28-Y30 PolarHBondContact O-N 2.94Å
29	T	70.7	Confident	68.1	Low	78 Å²	78	92 Å²	92	48%	0.479	48%	0.477	S	S	.	.	S	Bend	trans	-82	-0.3	172.2	63.7	0	0	0	0	112.1	H25 N31	H25-T29 WeakPolarHBondContact CE1-CG2 3.32Å; H25-T29 WeakPolarHBondContact O-CB 3.47Å; H25-T29 PolarHBondContact O-N 2.96Å; H25-T29 PolarHBondContact O-OG1 3.48Å; T29-N31 VanDerWaalsContact C-N 3.32Å; T29-N31 PolarHBondContact O-N 3.02Å
30	Y	60.7	Low	66.2	Low	104 Å²	104	93 Å²	93	41%	0.408	48%	0.483	S	S	.	.			trans	-60.1	100.7	173	-178.8	-98.9	0	0	0	107.4	C26 Y27 L28 P32 I35	C26-Y30 VanDerWaalsContact O-CA 3.31Å; C26-Y30 WeakPolarHBondContact O-CA 3.1Å; C26-Y30 VanDerWaalsContact O-CB 3.23Å; C26-Y30 WeakPolarHBondContact O-CB 3.24Å; C26-Y30 PolarHBondContact O-N 3.33Å; Y27-Y30 WeakPolarHBondContact O-CB 3.25Å; L28-Y30 PolarHBondContact O-N 2.94Å; Y30-P32 HydrophobicContact CD1-CB 4.5Å; Y30-P32 HydrophobicContact CE1-CB 3.98Å; Y30-P32 VanDerWaalsContact O-CD 3.24Å; Y30-P32 WeakPolarHBondContact O-CD 3.15Å; Y30-I35 HydrophobicContact CD2-CD1 4.46Å; Y30-I35 HydrophobicContact CE2-CB 4.49Å; Y30-I35 HydrophobicContact CE2-CD1 3.32Å; Y30-I35 HydrophobicContact CE2-CG1 3.55Å; Y30-I35 WeakPolarHBondContact OH-CD1 3.23Å
31	N	57.3	Low	64.2	Low	57 Å²	57	93.7 Å²	93.7	31%	0.305	49%	0.486	S	S	.	.			trans	-81.1	112.5	169.3	-174.3	7.7	0	0	0	106.1	T29 N33 D34	T29-N31 VanDerWaalsContact C-N 3.32Å; T29-N31 PolarHBondContact O-N 3.02Å; N31-N33 PolarHBondContact O-N 2.88Å; N31-N33 WeakPolarHBondContact OD1-CB 3.31Å; N31-N33 PolarHBondContact OD1-N 3.21Å; N31-N33 PolarHBondContact OD1-ND2 2.84Å; N31-D34 HydrophobicContact CB-CB 3.93Å; N31-D34 PolarHBondContact ND2-OD1 2.98Å; N31-D34 PolarHBondContact O-N 3.13Å
32	P	53.4	Low	62.4	Low	74 Å²	74	92 Å²	92	48%	0.481	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-11.1	174.6	26.8	-34.5	0	0	0	112.3	Y30 I35	Y30-P32 HydrophobicContact CD1-CB 4.5Å; Y30-P32 HydrophobicContact CE1-CB 3.98Å; Y30-P32 VanDerWaalsContact O-CD 3.24Å; Y30-P32 WeakPolarHBondContact O-CD 3.15Å; P32-I35 VanDerWaalsContact O-O 3.08Å
33	N	48.1	Very low	60.5	Low	61 Å²	61	92.7 Å²	92.7	33%	0.326	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-16.8	173.5	-53.6	-23.4	0	0	0	113.3	N31 P55	N31-N33 PolarHBondContact O-N 2.88Å; N31-N33 WeakPolarHBondContact OD1-CB 3.31Å; N31-N33 PolarHBondContact OD1-N 3.21Å; N31-N33 PolarHBondContact OD1-ND2 2.84Å; N33-P55 HydrophobicContact CB-CB 3.4Å; N33-P55 HydrophobicContact CB-CG 3.61Å; N33-P55 WeakPolarHBondContact OD1-CB 3.16Å
34	D	50.6	Low	58.6	Low	122 Å²	122	95.3 Å²	95.3	65%	0.652	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-29.7	179.5	-79.8	-1.2	0	0	0	112.5	N31 L36	N31-D34 HydrophobicContact CB-CB 3.93Å; N31-D34 PolarHBondContact ND2-OD1 2.98Å; N31-D34 PolarHBondContact O-N 3.13Å; D34-L36 PolarHBondContact O-N 2.86Å
35	I	50	Low	57	Low	82 Å²	82	98.9 Å²	98.9	42%	0.421	51%	0.507	S	S	.	.	S	Bend	trans	-78.6	114.4	159.6	-61.4	-147.8	0	0	0	104.4	Y30 P32 P37	Y30-I35 HydrophobicContact CD2-CD1 4.46Å; Y30-I35 HydrophobicContact CE2-CB 4.49Å; Y30-I35 HydrophobicContact CE2-CD1 3.32Å; Y30-I35 HydrophobicContact CE2-CG1 3.55Å; Y30-I35 WeakPolarHBondContact OH-CD1 3.23Å; P32-I35 VanDerWaalsContact O-O 3.08Å; I35-P37 VanDerWaalsContact C-N 3.34Å; I35-P37 HydrophobicContact CG2-CB 4.18Å; I35-P37 HydrophobicContact CG2-CG 4.2Å; I35-P37 WeakPolarHBondContact O-CD 3.35Å; I35-P37 WeakPolarHBondContact O-CG 2.8Å
36	L	51.5	Low	55.7	Low	60 Å²	60	102.3 Å²	102.3	31%	0.314	52%	0.523	S	S	.	.			trans	-66.5	93.9	161.3	-76.7	93.5	0	0	0	106.7	D34 D38 W39 M52	D34-L36 PolarHBondContact O-N 2.86Å; L36-D38 VanDerWaalsContact C-N 3.26Å; L36-W39 VanDerWaalsContact CD2-NE1 3.25Å; L36-M52 HydrophobicContact CD2-CE 3.32Å; L36-M52 HydrophobicContact CD2-CG 4.34Å; L36-M52 HydrophobicContact CD2-SD 3.69Å; L36-M52 HydrophobicContact CG-CE 3.9Å
37	P	46.9	Very low	54.5	Low	79 Å²	79	103.6 Å²	103.6	51%	0.513	53%	0.525	S	S	.	.			trans	-85.9	-9.9	-174.6	4.4	20.2	0	0	0	110.3	I35	I35-P37 VanDerWaalsContact C-N 3.34Å; I35-P37 HydrophobicContact CG2-CB 4.18Å; I35-P37 HydrophobicContact CG2-CG 4.2Å; I35-P37 WeakPolarHBondContact O-CD 3.35Å; I35-P37 WeakPolarHBondContact O-CG 2.8Å
38	D	50.8	Low	53.3	Low	48 Å²	48	98.3 Å²	98.3	26%	0.257	51%	0.507	S	S	.	.			trans	-125.5	51.8	-157.8	-67.9	-6.4	0	0	0	111.1	L36 D40 S51 K53	L36-D38 VanDerWaalsContact C-N 3.26Å; D38-D40 PolarHBondContact O-N 3.3Å; D38-S51 VanDerWaalsContact O-O 3.06Å; D38-K53 HydrophobicContact CB-CB 3.73Å; D38-K53 HydrophobicContact CB-CD 4.29Å; D38-K53 WeakPolarHBondContact OD2-CD 2.85Å; D38-K53 IonicContact OD2-NZ 3.1Å; D38-K53 PolarHBondContact OD2-NZ 2.85Å; D38-K53 VanDerWaalsContact OD2-NZ 3.1Å
39	W	50.5	Low	52.2	Low	87 Å²	87	93 Å²	93	33%	0.33	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	76.2	152.8	-77.9	58	0	0	0	107.1	L36 I41 Y50 F76 Y87	L36-W39 VanDerWaalsContact CD2-NE1 3.25Å; W39-I41 PolarHBondContact O-N 2.85Å; W39-Y50 AromaticContact CE3-CD1 3.28Å; W39-Y50 HydrophobicContact CE3-CD1 3.28Å; W39-Y50 HydrophobicContact CE3-CE1 4.06Å; W39-Y50 AromaticContact CE3-CG 3.74Å; W39-Y50 HydrophobicContact CE3-CG 3.74Å; W39-Y50 HydrophobicContact CH2-CG 4.49Å; W39-Y50 VanDerWaalsContact CZ3-CB 3.42Å; W39-Y50 AromaticContact CZ3-CD1 3.42Å; W39-Y50 HydrophobicContact CZ3-CD1 3.42Å; W39-Y50 VanDerWaalsContact CZ3-CD1 3.42Å; W39-Y50 HydrophobicContact CZ3-CD2 4.25Å; W39-Y50 HydrophobicContact CZ3-CE1 4.16Å; W39-Y50 AromaticContact CZ3-CG 3.43Å; W39-Y50 HydrophobicContact CZ3-CG 3.43Å; W39-Y50 VanDerWaalsContact CZ3-CG 3.43Å; W39-F76 HydrophobicContact CH2-CE2 4.39Å; W39-F76 HydrophobicContact CH2-CZ 4.37Å; W39-F76 HydrophobicContact CZ3-CE2 4.46Å; W39-Y87 HydrophobicContact CH2-CD2 4.2Å; W39-Y87 AromaticContact CH2-CE2 3.51Å; W39-Y87 HydrophobicContact CH2-CE2 3.51Å; W39-Y87 AromaticContact CZ2-CD2 3.67Å; W39-Y87 HydrophobicContact CZ2-CD2 3.67Å; W39-Y87 AromaticContact CZ2-CE2 3.44Å; W39-Y87 HydrophobicContact CZ2-CE2 3.44Å; W39-Y87 VanDerWaalsContact CZ2-CE2 3.44Å
40	D	51.5	Low	51.2	Low	115 Å²	115	91.8 Å²	91.8	62%	0.615	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	117.4	161.9	-90.2	-26.6	0	0	0	107.3	D38 I42 S51	D38-D40 PolarHBondContact O-N 3.3Å; D40-I42 PolarHBondContact O-N 3.03Å; D40-I42 VanDerWaalsContact O-N 3.1Å; D40-S51 PolarHBondContact O-OG 3.25Å
41	I	51.9	Low	50.7	Low	101 Å²	101	87 Å²	87	52%	0.518	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	98.7	170.4	-61.1	171.4	0	0	0	106.3	W39 N43 Y50	W39-I41 PolarHBondContact O-N 2.85Å; I41-N43 WeakPolarHBondContact CG2-OD1 3.46Å; I41-N43 PolarHBondContact O-N 2.95Å; I41-N43 VanDerWaalsContact O-N 3.14Å; I41-Y50 HydrophobicContact CD1-CE1 4.3Å; I41-Y50 HydrophobicContact CG1-CD1 4.18Å; I41-Y50 HydrophobicContact CG1-CE1 3.92Å
42	I	53.5	Low	50.3	Low	75 Å²	75	86.5 Å²	86.5	39%	0.385	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	92.1	169.4	-55.7	175.8	0	0	0	106.1	D40 H44 V49	D40-I42 PolarHBondContact O-N 3.03Å; D40-I42 VanDerWaalsContact O-N 3.1Å; I42-H44 PolarHBondContact O-N 3.1Å; I42-V49 PolarHBondContact N-O 3.48Å
43	N	47.3	Very low	50.1	Low	125 Å²	125	86.8 Å²	86.8	67%	0.668	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	98.8	170.9	-89.8	-14.1	0	0	0	109	I41	I41-N43 WeakPolarHBondContact CG2-OD1 3.46Å; I41-N43 PolarHBondContact O-N 2.95Å; I41-N43 VanDerWaalsContact O-N 3.14Å
44	H	46	Very low	50.2	Low	134 Å²	134	87.2 Å²	87.2	62%	0.62	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	104.3	163.6	-99.2	-64.2	0	0	0	108.2	I42 Q46 N47	I42-H44 PolarHBondContact O-N 3.1Å; H44-Q46 PolarHBondContact O-N 2.83Å; H44-N47 PolarHBondContact O-N 3.03Å
45	D	49.8	Very low	50	Low	164 Å²	164	83.4 Å²	83.4	88%	0.877	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	6.2	-17.5	174.1	-74.7	-26.4	0	0	0	123.6
46	Q	53.8	Low	49.9	Very low	186 Å²	186	83 Å²	83	87%	0.869	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.6	-6.5	178.4	-63.6	-176	-17.3	0	0	114.7	H44	H44-Q46 PolarHBondContact O-N 2.83Å
47	N	51.3	Low	49.6	Very low	107 Å²	107	87.2 Å²	87.2	57%	0.572	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.7	135.3	178	-86.1	-22.3	0	0	0	111.3	H44 V49	H44-N47 PolarHBondContact O-N 3.03Å; N47-V49 PolarHBondContact O-N 2.97Å; N47-V49 VanDerWaalsContact O-N 3.09Å
48	E	49.9	Very low	49.3	Very low	74 Å²	74	90.9 Å²	90.9	35%	0.346	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	102.5	174.5	-65.7	172.9	-153.7	0	0	109.5	Y50 R82	E48-Y50 HydrophobicContact CB-CD2 4.32Å; E48-Y50 HydrophobicContact CB-CE2 3.64Å; E48-Y50 WeakPolarHBondContact OE2-CE2 3.44Å; E48-Y50 PolarHBondContact OE2-OH 2.86Å; E48-R82 VanDerWaalsContact CD-NH2 3.29Å; E48-R82 IonicContact OE1-CZ 3.52Å; E48-R82 IonicContact OE1-NH1 3.34Å; E48-R82 PolarHBondContact OE1-NH1 3.19Å; E48-R82 IonicContact OE1-NH2 2.86Å; E48-R82 PolarHBondContact OE1-NH2 2.97Å; E48-R82 IonicContact OE2-CZ 3.61Å; E48-R82 IonicContact OE2-NH1 3.67Å; E48-R82 IonicContact OE2-NH2 3.32Å; E48-R82 PolarHBondContact OE2-NH2 2.85Å
49	V	50.1	Low	48.7	Very low	19 Å²	19	92.9 Å²	92.9	12%	0.115	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.4	172.8	-178.3	0	0	0	0	108.4	I42 N47 Y75	I42-V49 PolarHBondContact N-O 3.48Å; N47-V49 PolarHBondContact O-N 2.97Å; N47-V49 VanDerWaalsContact O-N 3.09Å; V49-Y75 HydrophobicContact CG1-CE1 4.47Å; V49-Y75 HydrophobicContact CG2-CD1 4.31Å; V49-Y75 HydrophobicContact CG2-CE1 4.12Å
50	Y	50.6	Low	48.5	Very low	53 Å²	53	94.8 Å²	94.8	21%	0.208	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	107.9	172.6	-63.4	-84.9	0	0	0	108.5	W39 I41 E48 F76	W39-Y50 AromaticContact CE3-CD1 3.28Å; W39-Y50 HydrophobicContact CE3-CD1 3.28Å; W39-Y50 HydrophobicContact CE3-CE1 4.06Å; W39-Y50 AromaticContact CE3-CG 3.74Å; W39-Y50 HydrophobicContact CE3-CG 3.74Å; W39-Y50 HydrophobicContact CH2-CG 4.49Å; W39-Y50 VanDerWaalsContact CZ3-CB 3.42Å; W39-Y50 AromaticContact CZ3-CD1 3.42Å; W39-Y50 HydrophobicContact CZ3-CD1 3.42Å; W39-Y50 VanDerWaalsContact CZ3-CD1 3.42Å; W39-Y50 HydrophobicContact CZ3-CD2 4.25Å; W39-Y50 HydrophobicContact CZ3-CE1 4.16Å; W39-Y50 AromaticContact CZ3-CG 3.43Å; W39-Y50 HydrophobicContact CZ3-CG 3.43Å; W39-Y50 VanDerWaalsContact CZ3-CG 3.43Å; I41-Y50 HydrophobicContact CD1-CE1 4.3Å; I41-Y50 HydrophobicContact CG1-CD1 4.18Å; I41-Y50 HydrophobicContact CG1-CE1 3.92Å; E48-Y50 HydrophobicContact CB-CD2 4.32Å; E48-Y50 HydrophobicContact CB-CE2 3.64Å; E48-Y50 WeakPolarHBondContact OE2-CE2 3.44Å; E48-Y50 PolarHBondContact OE2-OH 2.86Å; Y50-F76 AromaticContact CD2-CD2 3.65Å; Y50-F76 HydrophobicContact CD2-CD2 3.65Å; Y50-F76 AromaticContact CD2-CE2 3.62Å; Y50-F76 HydrophobicContact CD2-CE2 3.62Å; Y50-F76 HydrophobicContact CE2-CD2 4.22Å; Y50-F76 HydrophobicContact CE2-CE2 4.33Å; Y50-F76 HydrophobicContact CG-CE2 4.21Å
51	S	49	Very low	48.3	Very low	5 Å²	5	97.3 Å²	97.3	4%	0.035	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.2	171.3	55.7	0	0	0	0	109	D38 D40 N73	D38-S51 VanDerWaalsContact O-O 3.06Å; D40-S51 PolarHBondContact O-OG 3.25Å; S51-N73 WeakPolarHBondContact CB-OD1 3.39Å
52	M	49.4	Very low	47.8	Very low	45 Å²	45	96.4 Å²	96.4	22%	0.222	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.5	170.9	-178.5	175	169.3	0	0	108.3	L36 L54 W72	L36-M52 HydrophobicContact CD2-CE 3.32Å; L36-M52 HydrophobicContact CD2-CG 4.34Å; L36-M52 HydrophobicContact CD2-SD 3.69Å; L36-M52 HydrophobicContact CG-CE 3.9Å; M52-L54 HydrophobicContact CE-CD1 4.36Å; M52-L54 PolarHBondContact O-N 2.99Å; M52-W72 PolarHBondContact N-O 2.96Å; M52-W72 VanDerWaalsContact N-O 3.15Å; M52-W72 PolarHBondContact O-N 3.44Å; M52-W72 VanDerWaalsContact O-N 3.14Å
53	K	50.1	Low	47.5	Very low	81 Å²	81	98.2 Å²	98.2	35%	0.352	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	111.2	166.8	-167.4	-171.3	-174.7	177.5	0	108	D38 Y71	D38-K53 HydrophobicContact CB-CB 3.73Å; D38-K53 HydrophobicContact CB-CD 4.29Å; D38-K53 WeakPolarHBondContact OD2-CD 2.85Å; D38-K53 IonicContact OD2-NZ 3.1Å; D38-K53 PolarHBondContact OD2-NZ 2.85Å; D38-K53 VanDerWaalsContact OD2-NZ 3.1Å; K53-Y71 HydrophobicContact CB-CD1 4.17Å; K53-Y71 HydrophobicContact CB-CE1 3.96Å; K53-Y71 HydrophobicContact CD-CE1 4.46Å; K53-Y71 HydrophobicContact CG-CD1 4.4Å; K53-Y71 HydrophobicContact CG-CE1 4.05Å
54	L	50	Low	47.4	Very low	70 Å²	70	99.9 Å²	99.9	37%	0.366	50%	0.504	S	S	.	.			trans	-70.6	130.7	170.1	-125	84.1	0	0	0	107.7	M52 I56 W72	M52-L54 HydrophobicContact CE-CD1 4.36Å; M52-L54 PolarHBondContact O-N 2.99Å; L54-I56 PolarHBondContact O-N 3.34Å; L54-W72 HydrophobicContact CD1-CE3 4.41Å
55	P	46.3	Very low	47.2	Very low	42 Å²	42	100.4 Å²	100.4	27%	0.273	51%	0.507	S	S	.	.			trans	-59.7	115.7	162.7	25.3	-31.2	0	0	0	107.1	N33 H57	N33-P55 HydrophobicContact CB-CB 3.4Å; N33-P55 HydrophobicContact CB-CG 3.61Å; N33-P55 WeakPolarHBondContact OD1-CB 3.16Å; P55-H57 PolarHBondContact O-N 3.1Å
56	I	47.8	Very low	46.6	Very low	73 Å²	73	95.5 Å²	95.5	37%	0.374	49%	0.485	S	S	.	.			trans	-57.4	106.2	177.7	-61.3	167.6	0	0	0	105.5	L54 Y58	L54-I56 PolarHBondContact O-N 3.34Å; I56-Y58 VanDerWaalsContact C-N 3.3Å; I56-Y58 PolarHBondContact O-N 3.39Å
57	H	46	Very low	46	Very low	148 Å²	148	92.7 Å²	92.7	69%	0.685	48%	0.481	S	S	*	.			trans	-54.6	107.4	161.6	-89.5	-62.4	0	0	0	105.4	P55 N59	P55-H57 PolarHBondContact O-N 3.1Å; H57-N59 PolarHBondContact O-N 3.34Å
58	Y	40.2	Very low	45.5	Very low	156 Å²	156	94.8 Å²	94.8	61%	0.612	49%	0.491	S	S	*	.			trans	-47	111.2	168.5	30.1	-88	0	0	0	106.2	I56 T60	I56-Y58 VanDerWaalsContact C-N 3.3Å; I56-Y58 PolarHBondContact O-N 3.39Å; Y58-T60 VanDerWaalsContact C-N 3.3Å; Y58-T60 PolarHBondContact O-N 3.15Å
59	N	38.7	Very low	45.5	Very low	90 Å²	90	96.4 Å²	96.4	48%	0.481	50%	0.502	S	S	.	.			trans	-65	99.5	171.4	-168.3	5.7	0	0	0	106.1	H57 E61 N62	H57-N59 PolarHBondContact O-N 3.34Å; N59-E61 PolarHBondContact O-N 3.14Å; N59-N62 PolarHBondContact O-N 3.1Å; N59-N62 VanDerWaalsContact O-N 3.13Å
60	T	46	Very low	45.3	Very low	127 Å²	127	98.9 Å²	98.9	78%	0.779	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-12.5	-176.2	-23.8	0	0	0	0	112.1	Y58	Y58-T60 VanDerWaalsContact C-N 3.3Å; Y58-T60 PolarHBondContact O-N 3.15Å
61	E	47.3	Very low	45.1	Very low	169 Å²	169	102.3 Å²	102.3	79%	0.79	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-13.7	-177.8	-57.3	-172.1	170.3	0	0	113.7	N59	N59-E61 PolarHBondContact O-N 3.14Å
62	N	40.1	Very low	45	Very low	81 Å²	81	109.5 Å²	109.5	43%	0.433	56%	0.56	S	S	.	*			trans	-157.5	89.6	177	-106.2	-28	0	0	0	112.5	N59 L64 Q65	N59-N62 PolarHBondContact O-N 3.1Å; N59-N62 VanDerWaalsContact O-N 3.13Å; N62-L64 PolarHBondContact O-N 3.3Å; N62-Q65 PolarHBondContact O-N 2.8Å
63	P	47.2	Very low	44.9	Very low	113 Å²	113	110.8 Å²	110.8	73%	0.734	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-4	-178.6	25.5	-32.9	0	0	0	114.7
64	L	45.5	Very low	44.9	Very low	161 Å²	161	110.3 Å²	110.3	84%	0.843	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-0.5	-179.2	-70.7	168.2	0	0	0	114.3	N62	N62-L64 PolarHBondContact O-N 3.3Å
65	Q	42.1	Very low	44.8	Very low	145 Å²	145	114.3 Å²	114.3	68%	0.678	58%	0.578	S	S	*	*	S	Bend	trans	-111.3	1.3	-176.4	-83.7	-177.6	-21.6	0	0	115.4	N62 T67	N62-Q65 PolarHBondContact O-N 2.8Å; Q65-T67 PolarHBondContact O-N 2.87Å
66	S	37.1	Very low	45.1	Very low	60 Å²	60	115 Å²	115	42%	0.42	58%	0.577	S	S	.	*			trans	-91.8	70.3	-178.3	75.4	0	0	0	0	113
67	T	40.6	Very low	45.3	Very low	128 Å²	128	115.6 Å²	115.6	79%	0.785	58%	0.584	S	S	*	*			trans	-131	41.7	173	49.5	0	0	0	0	112.9	Q65	Q65-T67 PolarHBondContact O-N 2.87Å
68	L	42.3	Very low	45.7	Very low	150 Å²	150	115.9 Å²	115.9	79%	0.785	59%	0.59	S	S	*	*			trans	-128.5	111.5	159.1	-102.8	119.4	0	0	0	108.8	S70	L68-S70 PolarHBondContact O-N 3.14Å
69	L	48.8	Very low	46.4	Very low	108 Å²	108	115.8 Å²	115.8	57%	0.565	60%	0.601	S	S	*	*			trans	-56.3	90.3	164.3	-83.2	135.4	0	0	0	108.2	Y71	L69-Y71 VanDerWaalsContact C-N 3.28Å; L69-Y71 HydrophobicContact CB-CD2 4.19Å; L69-Y71 HydrophobicContact CB-CE2 3.92Å; L69-Y71 HydrophobicContact CD2-CE2 4.14Å; L69-Y71 PolarHBondContact O-N 3.01Å
70	S	45.7	Very low	47.1	Very low	72 Å²	72	115.3 Å²	115.3	50%	0.503	60%	0.595	S	S	.	*			trans	-74.9	83.2	174.7	164.4	0	0	0	0	108.6	L68 W72	L68-S70 PolarHBondContact O-N 3.14Å; S70-W72 PolarHBondContact O-N 3.49Å
71	Y	46.1	Very low	47.3	Very low	124 Å²	124	114.5 Å²	114.5	49%	0.486	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-65.5	128	160.6	-71.9	-88.5	0	0	0	108.3	K53 L69	K53-Y71 HydrophobicContact CB-CD1 4.17Å; K53-Y71 HydrophobicContact CB-CE1 3.96Å; K53-Y71 HydrophobicContact CD-CE1 4.46Å; K53-Y71 HydrophobicContact CG-CD1 4.4Å; K53-Y71 HydrophobicContact CG-CE1 4.05Å; L69-Y71 VanDerWaalsContact C-N 3.28Å; L69-Y71 HydrophobicContact CB-CD2 4.19Å; L69-Y71 HydrophobicContact CB-CE2 3.92Å; L69-Y71 HydrophobicContact CD2-CE2 4.14Å; L69-Y71 PolarHBondContact O-N 3.01Å
72	W	47.9	Very low	47.6	Very low	157 Å²	157	113.1 Å²	113.1	60%	0.595	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.5	114.9	167	-171.6	36.5	0	0	0	108	M52 L54 S70	M52-W72 PolarHBondContact N-O 2.96Å; M52-W72 VanDerWaalsContact N-O 3.15Å; M52-W72 PolarHBondContact O-N 3.44Å; M52-W72 VanDerWaalsContact O-N 3.14Å; L54-W72 HydrophobicContact CD1-CE3 4.41Å; S70-W72 PolarHBondContact O-N 3.49Å
73	N	47.7	Very low	48.2	Very low	72 Å²	72	118.6 Å²	118.6	39%	0.385	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.7	117.9	173.2	-66.7	-24.2	0	0	0	108	S51 Y75	S51-N73 WeakPolarHBondContact CB-OD1 3.39Å; N73-Y75 HydrophobicContact CB-CE2 4.36Å
74	H	50.2	Low	48.1	Very low	70 Å²	70	122.7 Å²	122.7	32%	0.324	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.9	123.1	171.1	-168.6	66	0	0	0	109.1	F76 E80	H74-F76 AromaticContact CD2-CE1 3.77Å; H74-F76 AromaticContact CD2-CZ 3.8Å; H74-E80 IonicContact NE2-OE2 3.89Å
75	Y	47	Very low	48.3	Very low	154 Å²	154	117.5 Å²	117.5	60%	0.604	58%	0.582	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.5	111	175.4	-62.9	-86	0	0	0	108.1	V49 N73	V49-Y75 HydrophobicContact CG1-CE1 4.47Å; V49-Y75 HydrophobicContact CG2-CD1 4.31Å; V49-Y75 HydrophobicContact CG2-CE1 4.12Å; N73-Y75 HydrophobicContact CB-CE2 4.36Å
76	F	52.8	Low	48.4	Very low	57 Å²	57	119.3 Å²	119.3	25%	0.25	59%	0.59	C	S	.	*			trans	-72.5	129.8	167.3	-66.4	-79.9	0	0	0	108.5	W39 Y50 H74 E80	W39-F76 HydrophobicContact CH2-CE2 4.39Å; W39-F76 HydrophobicContact CH2-CZ 4.37Å; W39-F76 HydrophobicContact CZ3-CE2 4.46Å; Y50-F76 AromaticContact CD2-CD2 3.65Å; Y50-F76 HydrophobicContact CD2-CD2 3.65Å; Y50-F76 AromaticContact CD2-CE2 3.62Å; Y50-F76 HydrophobicContact CD2-CE2 3.62Å; Y50-F76 HydrophobicContact CE2-CD2 4.22Å; Y50-F76 HydrophobicContact CE2-CE2 4.33Å; Y50-F76 HydrophobicContact CG-CE2 4.21Å; H74-F76 AromaticContact CD2-CE1 3.77Å; H74-F76 AromaticContact CD2-CZ 3.8Å; F76-E80 HydrophobicContact CD1-CB 4.49Å
77	T	52.7	Low	49.2	Very low	86 Å²	86	121.2 Å²	121.2	53%	0.528	59%	0.589	S	S	.	*			trans	-87.2	151.2	168.3	57.6	0	0	0	0	109.2	N79 E80	T77-N79 PolarHBondContact O-N 3.05Å; T77-E80 PolarHBondContact O-N 3.09Å
78	D	53.1	Low	49.5	Very low	153 Å²	153	120 Å²	120	82%	0.818	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	-13.7	-173	-68.7	-38.4	0	0	0	115.6
79	N	55.2	Low	49.8	Very low	155 Å²	155	120.5 Å²	120.5	83%	0.829	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	1	-177.5	-65.5	-30.8	0	0	0	114.4	T77	T77-N79 PolarHBondContact O-N 3.05Å
80	E	54.4	Low	49.6	Very low	79 Å²	79	126.4 Å²	126.4	37%	0.369	60%	0.599	S	S	.	*	S	Bend	trans	-83.4	136.2	178.3	-74.8	-179.4	173.6	0	0	111.5	H74 F76 T77 R82	H74-E80 IonicContact NE2-OE2 3.89Å; F76-E80 HydrophobicContact CD1-CB 4.49Å; T77-E80 PolarHBondContact O-N 3.09Å; E80-R82 PolarHBondContact O-N 2.63Å
81	P	49.1	Very low	49.6	Very low	110 Å²	110	130.1 Å²	130.1	71%	0.714	61%	0.612	S	S	*	*			trans	-64.4	105.4	179.1	25.1	-31.9	0	0	0	109.6	R83	P81-R83 PolarHBondContact O-N 3.32Å
82	R	52.9	Low	49.4	Very low	141 Å²	141	127.4 Å²	127.4	53%	0.532	62%	0.622	S	S	.	*			trans	-51.7	108.3	170	-73.1	-176.5	178.4	-155	-6.5	108.8	E48 E80 Y84	E48-R82 VanDerWaalsContact CD-NH2 3.29Å; E48-R82 IonicContact OE1-CZ 3.52Å; E48-R82 IonicContact OE1-NH1 3.34Å; E48-R82 PolarHBondContact OE1-NH1 3.19Å; E48-R82 IonicContact OE1-NH2 2.86Å; E48-R82 PolarHBondContact OE1-NH2 2.97Å; E48-R82 IonicContact OE2-CZ 3.61Å; E48-R82 IonicContact OE2-NH1 3.67Å; E48-R82 IonicContact OE2-NH2 3.32Å; E48-R82 PolarHBondContact OE2-NH2 2.85Å; E80-R82 PolarHBondContact O-N 2.63Å; R82-Y84 HydrophobicContact CB-CD2 4.43Å; R82-Y84 HydrophobicContact CB-CE2 3.92Å; R82-Y84 WeakPolarHBondContact CD-OH 3.49Å; R82-Y84 PolarHBondContact O-N 2.62Å
83	R	53.2	Low	48.8	Very low	196 Å²	196	133.7 Å²	133.7	74%	0.74	65%	0.653	S	S	*	*			trans	-82.3	96.3	171.7	-72.2	-170.1	179.1	-156.9	1.5	108.3	P81 G85	P81-R83 PolarHBondContact O-N 3.32Å; R83-G85 VanDerWaalsContact C-N 3.34Å; R83-G85 PolarHBondContact O-N 2.97Å
84	Y	44.7	Very low	48.9	Very low	198 Å²	198	136.8 Å²	136.8	78%	0.776	67%	0.667	S	S	*	*			trans	-71	92.5	166.2	-63.6	-78.4	0	0	0	108.6	R82	R82-Y84 HydrophobicContact CB-CD2 4.43Å; R82-Y84 HydrophobicContact CB-CE2 3.92Å; R82-Y84 WeakPolarHBondContact CD-OH 3.49Å; R82-Y84 PolarHBondContact O-N 2.62Å
85	G	50.7	Low	48.8	Very low	52 Å²	52	140.3 Å²	140.3	54%	0.536	69%	0.685	S	S	.	*	S	Bend	trans	169	160.4	175.9	0	0	0	0	0	113.7	R83 Y87	R83-G85 VanDerWaalsContact C-N 3.34Å; R83-G85 PolarHBondContact O-N 2.97Å; G85-Y87 PolarHBondContact O-N 2.86Å
86	H	44.9	Very low	48.9	Very low	183 Å²	183	139.5 Å²	139.5	85%	0.847	69%	0.689	S	S	*	*			trans	-58.7	126.5	173.3	-73.4	-83.1	0	0	0	110.2	S88	H86-S88 PolarHBondContact O-N 3.23Å
87	Y	52.1	Low	48.7	Very low	100 Å²	100	144.4 Å²	144.4	39%	0.392	72%	0.715	S	S	.	*			trans	-65	84.7	162.8	-75	-91.6	0	0	0	108	W39 G85 Q89	W39-Y87 HydrophobicContact CH2-CD2 4.2Å; W39-Y87 AromaticContact CH2-CE2 3.51Å; W39-Y87 HydrophobicContact CH2-CE2 3.51Å; W39-Y87 AromaticContact CZ2-CD2 3.67Å; W39-Y87 HydrophobicContact CZ2-CD2 3.67Å; W39-Y87 AromaticContact CZ2-CE2 3.44Å; W39-Y87 HydrophobicContact CZ2-CE2 3.44Å; W39-Y87 VanDerWaalsContact CZ2-CE2 3.44Å; G85-Y87 PolarHBondContact O-N 2.86Å; Y87-Q89 PolarHBondContact O-N 3.34Å; Y87-Q89 VanDerWaalsContact O-N 3.1Å
88	S	47.7	Very low	48.4	Very low	102 Å²	102	148 Å²	148	71%	0.713	73%	0.727	S	S	*	*			trans	-72.4	100.6	161.4	49.8	0	0	0	0	106.3	H86 R90	H86-S88 PolarHBondContact O-N 3.23Å; S88-R90 VanDerWaalsContact C-N 3.3Å; S88-R90 PolarHBondContact O-N 2.78Å
89	Q	48.1	Very low	48.1	Very low	162 Å²	162	147.7 Å²	147.7	76%	0.757	72%	0.721	S	S	*	*			trans	-58.4	102.1	163.9	-172.4	172.7	3.2	0	0	106.2	Y87 L91	Y87-Q89 PolarHBondContact O-N 3.34Å; Y87-Q89 VanDerWaalsContact O-N 3.1Å; Q89-L91 PolarHBondContact O-N 2.96Å
90	R	44.9	Very low	47.6	Very low	231 Å²	231	147.1 Å²	147.1	87%	0.872	71%	0.713	S	S	*	*			trans	-65.2	91.3	160.8	-78.3	-173.6	172.9	-166.9	-1.7	105.3	S88 G92	S88-R90 VanDerWaalsContact C-N 3.3Å; S88-R90 PolarHBondContact O-N 2.78Å; R90-G92 PolarHBondContact O-N 2.9Å
91	L	46.7	Very low	47.1	Very low	150 Å²	150	152.4 Å²	152.4	79%	0.785	74%	0.739	S	S	*	*			trans	-50.7	112.1	155.6	-82.8	157.5	0	0	0	105.2	Q89	Q89-L91 PolarHBondContact O-N 2.96Å
92	G	42	Very low	46.9	Very low	67 Å²	67	155.9 Å²	155.9	69%	0.691	74%	0.742	S	S	*	*			trans	-55.9	154	178	0	0	0	0	0	110.6	R90	R90-G92 PolarHBondContact O-N 2.9Å
93	K	35	Very low	46.4	Very low	289 Å²	289	157.3 Å²	157.3	100%	1.257	76%	0.761	S	S	*	*			trans	-50.5	0	166.4	-76.6	-179.7	172.2	-179	0	112

Retrieved 93 of 93 residues in 179.1 ms (Link to these results)

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