A0A3Q0KV48_SCHMA Loading...

Shell matrix protein

AlphaFold DB , UniProt , Accession A0A3Q0KV48, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 309 aa.

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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	58.8	Low	63.1	Low	213 Å²	213	118.3 Å²	118.3	100%	1.049	67%	0.667	S	S	*	*				0	-23.5	0	-71.5	179.8	176.8	0	0	113.3	M3	M1-M3 PolarHBondContact O-N 3.3Å
2	N	59	Low	63.9	Low	150 Å²	150	118.4 Å²	118.4	80%	0.802	67%	0.665	S	S	*	*	H	α-helix	trans	-77.8	-13.2	178.2	-75.2	8.4	0	0	0	116.7
3	M	58.4	Low	64.3	Low	172 Å²	172	114.2 Å²	114.2	85%	0.847	65%	0.654	S	S	*	*	H	α-helix	trans	-79.2	-26.8	179	-72.5	-90.8	-151.6	0	0	112.9	M1	M1-M3 PolarHBondContact O-N 3.3Å
4	F	59.1	Low	64.9	Low	172 Å²	172	114.9 Å²	114.9	75%	0.754	65%	0.654	S	S	*	*	H	α-helix	trans	-76.6	-35.7	-176.6	-107.2	-95.5	0	0	0	112.5	A6 A7 V8	F4-A6 VanDerWaalsContact C-N 3.34Å; F4-A6 PolarHBondContact O-N 2.84Å; F4-A7 PolarHBondContact O-N 3.5Å; F4-V8 WeakPolarHBondContact O-CG2 3.43Å; F4-V8 PolarHBondContact O-N 3.05Å
5	Y	65.5	Low	65.1	Low	190 Å²	190	111.3 Å²	111.3	75%	0.745	65%	0.645	S	S	*	*	H	α-helix	trans	-68.2	-32	178	-88.6	-84.5	0	0	0	113.2	A9	Y5-A9 WeakPolarHBondContact O-CB 3.45Å; Y5-A9 PolarHBondContact O-N 3.41Å; Y5-A9 VanDerWaalsContact O-N 3.07Å
6	A	57.4	Low	65.5	Low	64 Å²	64	110.9 Å²	110.9	53%	0.529	64%	0.64	S	S	.	*	H	α-helix	trans	-71.3	-36.2	176.8	0	0	0	0	0	112.4	F4 A10	F4-A6 VanDerWaalsContact C-N 3.34Å; F4-A6 PolarHBondContact O-N 2.84Å; A6-A10 WeakPolarHBondContact O-CB 3.45Å; A6-A10 PolarHBondContact O-N 2.67Å; A6-A10 VanDerWaalsContact O-N 3.09Å
7	A	61.1	Low	65.6	Low	63 Å²	63	108 Å²	108	52%	0.521	63%	0.632	S	S	.	*	H	α-helix	trans	-71	-37.8	177.6	0	0	0	0	0	112.3	F4 A11	F4-A7 PolarHBondContact O-N 3.5Å; A7-A11 WeakPolarHBondContact O-CB 3.37Å; A7-A11 PolarHBondContact O-N 3.47Å
8	V	71.9	Confident	65.7	Low	91 Å²	91	105.6 Å²	105.6	55%	0.552	63%	0.626	S	S	*	*	H	α-helix	trans	-69.3	-42.3	176.2	174.2	0	0	0	0	111.1	F4 A10 A11 D12	F4-V8 WeakPolarHBondContact O-CG2 3.43Å; F4-V8 PolarHBondContact O-N 3.05Å; V8-A10 VanDerWaalsContact C-N 3.32Å; V8-A10 PolarHBondContact O-N 3.18Å; V8-A11 PolarHBondContact O-N 3.48Å; V8-D12 WeakPolarHBondContact O-CB 3.44Å; V8-D12 PolarHBondContact O-N 3.07Å
9	A	65.1	Low	65.6	Low	63 Å²	63	102.9 Å²	102.9	52%	0.521	62%	0.617	S	S	.	*	H	α-helix	trans	-65.2	-34	176.7	0	0	0	0	0	113	Y5 A13	Y5-A9 WeakPolarHBondContact O-CB 3.45Å; Y5-A9 PolarHBondContact O-N 3.41Å; Y5-A9 VanDerWaalsContact O-N 3.07Å; A9-A13 WeakPolarHBondContact O-CB 3.43Å; A9-A13 PolarHBondContact O-N 3.03Å; A9-A13 VanDerWaalsContact O-N 3.16Å
10	A	67.2	Low	65.7	Low	62 Å²	62	103.3 Å²	103.3	51%	0.512	62%	0.616	S	S	.	*	H	α-helix	trans	-70.7	-37.8	174.3	0	0	0	0	0	112.3	A6 V8 D14	A6-A10 WeakPolarHBondContact O-CB 3.45Å; A6-A10 PolarHBondContact O-N 2.67Å; A6-A10 VanDerWaalsContact O-N 3.09Å; V8-A10 VanDerWaalsContact C-N 3.32Å; V8-A10 PolarHBondContact O-N 3.18Å; A10-D14 WeakPolarHBondContact O-CB 3.47Å; A10-D14 PolarHBondContact O-N 3.47Å; A10-D14 VanDerWaalsContact O-N 3.13Å
11	A	70.9	Confident	65.4	Low	61 Å²	61	101.4 Å²	101.4	50%	0.504	61%	0.612	S	S	.	*	H	α-helix	trans	-68.8	-35.6	176.3	0	0	0	0	0	112.5	A7 V8 D14 A15	A7-A11 WeakPolarHBondContact O-CB 3.37Å; A7-A11 PolarHBondContact O-N 3.47Å; V8-A11 PolarHBondContact O-N 3.48Å; A11-D14 PolarHBondContact O-N 2.96Å; A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 3.42Å
12	D	72.2	Confident	65.5	Low	120 Å²	120	96.9 Å²	96.9	64%	0.642	59%	0.592	S	S	*	*	H	α-helix	trans	-70.3	-38.7	177.7	-149.9	42.8	0	0	0	111.5	V8 N16	V8-D12 WeakPolarHBondContact O-CB 3.44Å; V8-D12 PolarHBondContact O-N 3.07Å; D12-N16 WeakPolarHBondContact O-CB 3.4Å; D12-N16 PolarHBondContact O-N 3.26Å
13	A	68.9	Low	65.5	Low	63 Å²	63	92.2 Å²	92.2	52%	0.521	57%	0.574	S	S	.	*	H	α-helix	trans	-66.8	-35.9	174.3	0	0	0	0	0	112.9	A9 A17	A9-A13 WeakPolarHBondContact O-CB 3.43Å; A9-A13 PolarHBondContact O-N 3.03Å; A9-A13 VanDerWaalsContact O-N 3.16Å; A13-A17 WeakPolarHBondContact O-CB 3.37Å; A13-A17 PolarHBondContact O-N 3.09Å; A13-A17 VanDerWaalsContact O-N 3.11Å
14	D	72.6	Confident	65.5	Low	124 Å²	124	86.6 Å²	86.6	66%	0.663	56%	0.555	S	S	*	*	H	α-helix	trans	-71.9	-40.3	177.8	-160	45.7	0	0	0	111.6	A10 A11 A17 A18	A10-D14 WeakPolarHBondContact O-CB 3.47Å; A10-D14 PolarHBondContact O-N 3.47Å; A10-D14 VanDerWaalsContact O-N 3.13Å; A11-D14 PolarHBondContact O-N 2.96Å; D14-A17 PolarHBondContact O-N 3.16Å; D14-A18 PolarHBondContact O-N 3.13Å; D14-A18 VanDerWaalsContact O-N 3.1Å
15	A	68.8	Low	65.4	Low	62 Å²	62	81.1 Å²	81.1	51%	0.512	54%	0.541	S	S	.	.	H	α-helix	trans	-65.7	-38.6	175	0	0	0	0	0	112.6	A11 A18 A19	A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 3.42Å; A15-A18 PolarHBondContact O-N 3.45Å; A15-A19 PolarHBondContact O-N 3.11Å; A15-A19 VanDerWaalsContact O-N 3.13Å
16	N	71.1	Confident	65	Low	105 Å²	105	77.7 Å²	77.7	56%	0.561	54%	0.536	S	S	*	.	H	α-helix	trans	-72.7	-31.5	178.8	-153.2	35.7	0	0	0	112.4	D12 N20	D12-N16 WeakPolarHBondContact O-CB 3.4Å; D12-N16 PolarHBondContact O-N 3.26Å; N16-N20 PolarHBondContact O-N 3.05Å
17	A	67.9	Low	64.9	Low	61 Å²	61	80.3 Å²	80.3	50%	0.504	54%	0.541	S	S	.	.	H	α-helix	trans	-69.8	-37.7	173.5	0	0	0	0	0	112.3	A13 D14 A21	A13-A17 WeakPolarHBondContact O-CB 3.37Å; A13-A17 PolarHBondContact O-N 3.09Å; A13-A17 VanDerWaalsContact O-N 3.11Å; D14-A17 PolarHBondContact O-N 3.16Å; A17-A21 PolarHBondContact O-N 3.31Å
18	A	66.8	Low	64.6	Low	64 Å²	64	83.3 Å²	83.3	53%	0.529	55%	0.549	S	S	.	.	H	α-helix	trans	-67.6	-40.7	176.4	0	0	0	0	0	112.4	D14 A15 A21 D22	D14-A18 PolarHBondContact O-N 3.13Å; D14-A18 VanDerWaalsContact O-N 3.1Å; A15-A18 PolarHBondContact O-N 3.45Å; A18-A21 PolarHBondContact O-N 3.1Å; A18-D22 PolarHBondContact O-N 3.42Å; A18-D22 VanDerWaalsContact O-N 3.16Å
19	A	64.3	Low	63.8	Low	56 Å²	56	81 Å²	81	46%	0.463	54%	0.539	S	S	.	.	H	α-helix	trans	-65.3	-37.8	177.6	0	0	0	0	0	112.9	A15 A21 D22 A23	A15-A19 PolarHBondContact O-N 3.11Å; A15-A19 VanDerWaalsContact O-N 3.13Å; A19-A21 VanDerWaalsContact C-N 3.35Å; A19-D22 PolarHBondContact O-N 3.16Å; A19-A23 PolarHBondContact O-N 3.27Å
20	N	67.1	Low	63.4	Low	109 Å²	109	81.2 Å²	81.2	58%	0.583	54%	0.54	S	S	*	.	H	α-helix	trans	-73.2	-26	176.7	-73.8	-8	0	0	0	113.2	N16 A24	N16-N20 PolarHBondContact O-N 3.05Å; N20-A24 PolarHBondContact O-N 3.46Å
21	A	59	Low	62.7	Low	64 Å²	64	82 Å²	82	53%	0.529	55%	0.548	S	S	.	.	H	α-helix	trans	-75.6	-31.8	174.6	0	0	0	0	0	112.3	A17 A18 A19 A25	A17-A21 PolarHBondContact O-N 3.31Å; A18-A21 PolarHBondContact O-N 3.1Å; A19-A21 VanDerWaalsContact C-N 3.35Å; A21-A25 PolarHBondContact O-N 3.13Å
22	D	61.8	Low	61.8	Low	118 Å²	118	82.5 Å²	82.5	63%	0.631	55%	0.551	S	S	*	*	H	α-helix	trans	-72.1	-41	177.2	-147.1	27.5	0	0	0	111.1	A18 A19 A24 A25 D26	A18-D22 PolarHBondContact O-N 3.42Å; A18-D22 VanDerWaalsContact O-N 3.16Å; A19-D22 PolarHBondContact O-N 3.16Å; D22-A24 PolarHBondContact O-N 3.22Å; D22-A25 PolarHBondContact O-N 3.31Å; D22-D26 PolarHBondContact O-N 2.96Å; D22-D26 VanDerWaalsContact O-N 3.1Å
23	A	57.5	Low	61	Low	53 Å²	53	86 Å²	86	44%	0.438	56%	0.557	S	S	.	*	H	α-helix	trans	-63.1	-38.9	175.6	0	0	0	0	0	113.1	A19 A25 D26 D27	A19-A23 PolarHBondContact O-N 3.27Å; A23-A25 VanDerWaalsContact C-N 3.32Å; A23-A25 PolarHBondContact O-N 3.18Å; A23-D26 PolarHBondContact O-N 3.38Å; A23-D27 PolarHBondContact O-N 3.26Å; A23-D27 VanDerWaalsContact O-N 3.14Å
24	A	59.3	Low	60.1	Low	53 Å²	53	88.9 Å²	88.9	44%	0.438	56%	0.563	S	S	.	*	H	α-helix	trans	-68.7	-30.1	176.4	0	0	0	0	0	112.8	N20 D22 D28	N20-A24 PolarHBondContact O-N 3.46Å; D22-A24 PolarHBondContact O-N 3.22Å; A24-D28 PolarHBondContact O-N 3.14Å
25	A	55.9	Low	59.1	Low	57 Å²	57	90.1 Å²	90.1	47%	0.471	57%	0.57	S	S	.	*	H	α-helix	trans	-76.5	-31.8	177.4	0	0	0	0	0	112.7	A21 D22 A23 A29	A21-A25 PolarHBondContact O-N 3.13Å; D22-A25 PolarHBondContact O-N 3.31Å; A23-A25 VanDerWaalsContact C-N 3.32Å; A23-A25 PolarHBondContact O-N 3.18Å; A25-A29 WeakPolarHBondContact O-CB 3.25Å; A25-A29 PolarHBondContact O-N 3.29Å
26	D	57.7	Low	58.2	Low	119 Å²	119	94.2 Å²	94.2	64%	0.636	58%	0.583	S	S	*	*	H	α-helix	trans	-73.2	-36.6	174.6	-110.6	-7	0	0	0	111.8	D22 A23 A29 A30	D22-D26 PolarHBondContact O-N 2.96Å; D22-D26 VanDerWaalsContact O-N 3.1Å; A23-D26 PolarHBondContact O-N 3.38Å; D26-A29 PolarHBondContact O-N 3.32Å; D26-A30 PolarHBondContact O-N 3.23Å
27	D	56.4	Low	57.4	Low	118 Å²	118	93.5 Å²	93.5	63%	0.631	58%	0.58	S	S	*	*	H	α-helix	trans	-67.4	-39.6	175.5	-77.4	-16.5	0	0	0	112.2	A23 A29 A30 A31	A23-D27 PolarHBondContact O-N 3.26Å; A23-D27 VanDerWaalsContact O-N 3.14Å; D27-A29 VanDerWaalsContact C-N 3.3Å; D27-A29 PolarHBondContact O-N 3.45Å; D27-A30 PolarHBondContact O-N 3.47Å; D27-A31 PolarHBondContact O-N 3.45Å; D27-A31 VanDerWaalsContact O-N 3.13Å
28	D	55.2	Low	56.8	Low	127 Å²	127	95 Å²	95	68%	0.679	58%	0.584	S	S	*	*	H	α-helix	trans	-68.6	-28.2	174.9	-79.4	-17.1	0	0	0	112.4	A24	A24-D28 PolarHBondContact O-N 3.14Å
29	A	54.6	Low	56.2	Low	42 Å²	42	94.9 Å²	94.9	35%	0.347	58%	0.583	S	S	.	*	H	α-helix	trans	-76.9	-37.6	174.5	0	0	0	0	0	111.9	A25 D26 D27 A31 A32 Y33	A25-A29 WeakPolarHBondContact O-CB 3.25Å; A25-A29 PolarHBondContact O-N 3.29Å; D26-A29 PolarHBondContact O-N 3.32Å; D27-A29 VanDerWaalsContact C-N 3.3Å; D27-A29 PolarHBondContact O-N 3.45Å; A29-A31 VanDerWaalsContact C-N 3.35Å; A29-A32 PolarHBondContact O-N 3.1Å; A29-Y33 VanDerWaalsContact O-CD2 3.25Å; A29-Y33 WeakPolarHBondContact O-CD2 3.49Å
30	A	55.5	Low	55.6	Low	67 Å²	67	95.4 Å²	95.4	55%	0.554	59%	0.588	S	S	*	*	H	α-helix	trans	-66.7	-35.2	176.4	0	0	0	0	0	112.4	D26 D27 A32 Y33	D26-A30 PolarHBondContact O-N 3.23Å; D27-A30 PolarHBondContact O-N 3.47Å; A30-A32 VanDerWaalsContact C-N 3.26Å; A30-A32 PolarHBondContact O-N 3.21Å; A30-Y33 PolarHBondContact O-N 3.4Å
31	A	54	Low	54.7	Low	80 Å²	80	93.5 Å²	93.5	66%	0.661	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-20.1	175.7	0	0	0	0	0	114	D27 A29	D27-A31 PolarHBondContact O-N 3.45Å; D27-A31 VanDerWaalsContact O-N 3.13Å; A29-A31 VanDerWaalsContact C-N 3.35Å
32	A	51.8	Low	54.4	Low	70 Å²	70	95.1 Å²	95.1	58%	0.579	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-7.7	-179.8	0	0	0	0	0	114.2	A29 A30	A29-A32 PolarHBondContact O-N 3.1Å; A30-A32 VanDerWaalsContact C-N 3.26Å; A30-A32 PolarHBondContact O-N 3.21Å
33	Y	54	Low	53.8	Low	194 Å²	194	93.1 Å²	93.1	76%	0.761	59%	0.587	S	S	*	*	S	Bend	trans	-118.5	10.4	-177.9	-72.8	-72.2	0	0	0	114.1	A29 A30 D35	A29-Y33 VanDerWaalsContact O-CD2 3.25Å; A29-Y33 WeakPolarHBondContact O-CD2 3.49Å; A30-Y33 PolarHBondContact O-N 3.4Å; Y33-D35 PolarHBondContact O-N 3.16Å
34	D	51.5	Low	53.2	Low	123 Å²	123	94.3 Å²	94.3	66%	0.658	60%	0.596	S	S	*	*			trans	-84.5	62.5	172.4	-157.4	12.5	0	0	0	110.5	D36	D34-D36 PolarHBondContact O-N 3.06Å
35	D	51.6	Low	53	Low	151 Å²	151	96.8 Å²	96.8	81%	0.807	61%	0.606	S	S	*	*			trans	-81.7	14.7	173.7	-89.4	-27.8	0	0	0	112.2	Y33	Y33-D35 PolarHBondContact O-N 3.16Å
36	D	50.2	Low	52.8	Low	148 Å²	148	100.9 Å²	100.9	79%	0.791	62%	0.62	S	S	*	*			trans	-100.9	28.6	179.5	-80	-31.6	0	0	0	112.7	D34 P38	D34-D36 PolarHBondContact O-N 3.06Å; D36-P38 WeakPolarHBondContact O-CD 3.03Å
37	D	53.7	Low	52.5	Low	90 Å²	90	99 Å²	99	48%	0.481	61%	0.61	S	S	.	*			trans	-91.8	96.9	165.8	-172.5	6.8	0	0	0	111.8	A39 A40	D37-A39 PolarHBondContact O-N 3.36Å; D37-A39 VanDerWaalsContact O-N 3.08Å; D37-A39 WeakPolarHBondContact OD1-CB 3.25Å; D37-A39 PolarHBondContact OD1-N 3.45Å; D37-A40 HydrophobicContact CB-CB 4.48Å; D37-A40 PolarHBondContact O-N 3.13Å
38	P	55.8	Low	52.3	Low	91 Å²	91	98.5 Å²	98.5	59%	0.591	61%	0.613	S	S	*	*	H	α-helix	trans	-65.7	-8.4	175.8	28.3	-35.8	0	0	0	113.6	D36 N42	D36-P38 WeakPolarHBondContact O-CD 3.03Å; P38-N42 PolarHBondContact O-N 3.06Å; P38-N42 PolarHBondContact O-ND2 2.09Å
39	A	54	Low	52.2	Low	62 Å²	62	95.9 Å²	95.9	51%	0.512	61%	0.609	S	S	.	*	H	α-helix	trans	-79.4	-37.2	175.1	0	0	0	0	0	112.1	D37 N42 A43	D37-A39 PolarHBondContact O-N 3.36Å; D37-A39 VanDerWaalsContact O-N 3.08Å; D37-A39 WeakPolarHBondContact OD1-CB 3.25Å; D37-A39 PolarHBondContact OD1-N 3.45Å; A39-N42 PolarHBondContact O-N 2.99Å; A39-A43 PolarHBondContact O-N 3.45Å
40	A	50.3	Low	52	Low	68 Å²	68	96.5 Å²	96.5	56%	0.562	61%	0.614	S	S	*	*	H	α-helix	trans	-69.6	-34.6	175.6	0	0	0	0	0	112.4	D37	D37-A40 HydrophobicContact CB-CB 4.48Å; D37-A40 PolarHBondContact O-N 3.13Å
41	A	48.9	Very low	51.7	Low	68 Å²	68	96.5 Å²	96.5	56%	0.562	61%	0.614	S	S	*	*	H	α-helix	trans	-73.5	-22.3	177.3	0	0	0	0	0	114.1
42	N	53.7	Low	51.6	Low	98 Å²	98	99.3 Å²	99.3	52%	0.524	62%	0.618	S	S	.	*	H	α-helix	trans	-95.5	-20.8	177.5	-77.4	-52.1	0	0	0	113.8	P38 A39 A44 V45	P38-N42 PolarHBondContact O-N 3.06Å; P38-N42 PolarHBondContact O-ND2 2.09Å; A39-N42 PolarHBondContact O-N 2.99Å; N42-A44 PolarHBondContact O-N 3.45Å; N42-V45 PolarHBondContact O-N 2.84Å
43	A	47.8	Very low	51.5	Low	77 Å²	77	100 Å²	100	64%	0.636	62%	0.624	S	S	*	*	H	α-helix	trans	-66.9	-23.6	173.7	0	0	0	0	0	113.2	A39 V45	A39-A43 PolarHBondContact O-N 3.45Å; A43-V45 VanDerWaalsContact C-N 3.35Å
44	A	45	Very low	51.1	Low	77 Å²	77	94.9 Å²	94.9	64%	0.636	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-8.1	176.7	0	0	0	0	0	114.2	N42	N42-A44 PolarHBondContact O-N 3.45Å
45	V	55.1	Low	51.1	Low	106 Å²	106	94.2 Å²	94.2	64%	0.642	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-16	-172.5	-179.5	0	0	0	0	112.6	N42 A43	N42-V45 PolarHBondContact O-N 2.84Å; A43-V45 VanDerWaalsContact C-N 3.35Å
46	D	51.5	Low	50.8	Low	143 Å²	143	94.5 Å²	94.5	77%	0.765	62%	0.623	S	S	*	*	S	Bend	trans	-101.3	4.4	-174.3	-79.2	-28.6	0	0	0	115.5
47	D	51.3	Low	50.8	Low	79 Å²	79	92.6 Å²	92.6	42%	0.422	62%	0.617	S	S	.	*			trans	-130.6	92.5	174.1	-169.3	-2.4	0	0	0	113.1	A49 A50	D47-A49 PolarHBondContact O-N 3.38Å; D47-A49 VanDerWaalsContact O-N 3.11Å; D47-A49 WeakPolarHBondContact OD1-CA 3.27Å; D47-A49 VanDerWaalsContact OD1-CB 3.25Å; D47-A49 WeakPolarHBondContact OD1-CB 3.16Å; D47-A49 PolarHBondContact OD1-N 2.89Å; D47-A50 HydrophobicContact CB-CB 4.05Å; D47-A50 PolarHBondContact O-N 3.26Å; D47-A50 VanDerWaalsContact O-N 3.17Å; D47-A50 PolarHBondContact OD1-N 3.08Å
48	P	52.2	Low	50.6	Low	107 Å²	107	93.7 Å²	93.7	70%	0.695	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-8.8	176.2	25.5	-31.9	0	0	0	113.8
49	A	53	Low	49.9	Very low	73 Å²	73	94.2 Å²	94.2	60%	0.603	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-29.4	173.6	0	0	0	0	0	112.7	D47	D47-A49 PolarHBondContact O-N 3.38Å; D47-A49 VanDerWaalsContact O-N 3.11Å; D47-A49 WeakPolarHBondContact OD1-CA 3.27Å; D47-A49 VanDerWaalsContact OD1-CB 3.25Å; D47-A49 WeakPolarHBondContact OD1-CB 3.16Å; D47-A49 PolarHBondContact OD1-N 2.89Å
50	A	51.1	Low	49.5	Very low	55 Å²	55	96 Å²	96	46%	0.455	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	-30.8	177.5	0	0	0	0	0	113.1	D47 N52 A53	D47-A50 HydrophobicContact CB-CB 4.05Å; D47-A50 PolarHBondContact O-N 3.26Å; D47-A50 VanDerWaalsContact O-N 3.17Å; D47-A50 PolarHBondContact OD1-N 3.08Å; A50-N52 VanDerWaalsContact C-N 3.26Å; A50-N52 PolarHBondContact O-N 3.49Å; A50-A53 PolarHBondContact O-N 2.88Å
51	A	48.9	Very low	49	Very low	66 Å²	66	97.8 Å²	97.8	55%	0.545	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.5	-17.5	179.3	0	0	0	0	0	114.4
52	N	52.9	Low	48.7	Very low	139 Å²	139	99.4 Å²	99.4	74%	0.743	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-4	175.6	-81.4	-39.2	0	0	0	114	A50	A50-N52 VanDerWaalsContact C-N 3.26Å; A50-N52 PolarHBondContact O-N 3.49Å
53	A	49	Very low	48.2	Very low	85 Å²	85	99.3 Å²	99.3	70%	0.702	70%	0.697	S	S	*	*	S	Bend	trans	-92.6	-11.2	179.8	0	0	0	0	0	113.8	A50	A50-A53 PolarHBondContact O-N 2.88Å
54	A	46.6	Very low	48.2	Very low	87 Å²	87	101.1 Å²	101.1	72%	0.719	70%	0.702	S	S	*	*	S	Bend	trans	-96.3	0.9	-176.8	0	0	0	0	0	114.6	D56	A54-D56 VanDerWaalsContact C-N 3.33Å; A54-D56 PolarHBondContact O-N 3.32Å
55	V	51.2	Low	48.2	Very low	109 Å²	109	104.5 Å²	104.5	66%	0.661	71%	0.709	S	S	*	*			trans	-92.5	69	177	-172.5	0	0	0	0	109.3	V57	V55-V57 HydrophobicContact CG1-CG2 4.11Å; V55-V57 PolarHBondContact O-N 3.17Å
56	D	45.2	Very low	47.8	Very low	156 Å²	156	105.9 Å²	105.9	83%	0.834	71%	0.713	S	S	*	*			trans	-84.3	86.9	175.9	-150.9	-5.4	0	0	0	109	A54 P58	A54-D56 VanDerWaalsContact C-N 3.33Å; A54-D56 PolarHBondContact O-N 3.32Å; D56-P58 WeakPolarHBondContact O-CD 3.49Å
57	V	49.8	Very low	47.5	Very low	108 Å²	108	105.9 Å²	105.9	66%	0.655	71%	0.713	S	S	*	*			trans	-76.7	119.9	171.9	177.4	0	0	0	0	107.8	V55 A59	V55-V57 HydrophobicContact CG1-CG2 4.11Å; V55-V57 PolarHBondContact O-N 3.17Å; V57-A59 PolarHBondContact O-N 3.45Å
58	P	48.7	Very low	47.4	Very low	114 Å²	114	108.9 Å²	108.9	74%	0.74	73%	0.729	S	S	*	*			trans	-68.8	107.4	-179.1	26.1	-31.3	0	0	0	110	D56 A60	D56-P58 WeakPolarHBondContact O-CD 3.49Å; P58-A60 PolarHBondContact O-N 2.94Å
59	A	42.7	Very low	47.1	Very low	101 Å²	101	110.3 Å²	110.3	84%	0.835	73%	0.731	S	S	*	*			trans	-65	103.8	171	0	0	0	0	0	109.8	V57 A61	V57-A59 PolarHBondContact O-N 3.45Å; A59-A61 PolarHBondContact O-N 3.31Å
60	A	45.5	Very low	47.1	Very low	101 Å²	101	113.6 Å²	113.6	84%	0.835	74%	0.743	S	S	*	*			trans	-69.9	120.9	171.3	0	0	0	0	0	110.1	P58	P58-A60 PolarHBondContact O-N 2.94Å
61	A	38	Very low	47	Very low	104 Å²	104	118 Å²	118	86%	0.86	76%	0.759	S	S	*	*			trans	-61.8	131.2	170.6	0	0	0	0	0	112.4	A59	A59-A61 PolarHBondContact O-N 3.31Å
62	A	44.2	Very low	46.9	Very low	102 Å²	102	124.4 Å²	124.4	84%	0.843	78%	0.778	S	S	*	*			trans	-156	129.2	149.8	0	0	0	0	0	111.2
63	A	42.7	Very low	46.8	Very low	97 Å²	97	123.2 Å²	123.2	80%	0.802	78%	0.775	S	S	*	*			trans	-52.8	166.9	-170.2	0	0	0	0	0	119.7
64	P	48	Very low	46.6	Very low	114 Å²	114	128.1 Å²	128.1	74%	0.74	78%	0.783	S	S	*	*			trans	-89.1	153.6	178.1	38.2	-33.3	0	0	0	112.2
65	D	45.7	Very low	46.8	Very low	148 Å²	148	132 Å²	132	79%	0.791	79%	0.786	S	S	*	*			trans	172.6	157.7	141.1	-100.5	-24	0	0	0	111.6
66	D	46.2	Very low	46.5	Very low	136 Å²	136	137.9 Å²	137.9	73%	0.727	80%	0.797	S	S	*	*			trans	79.6	100.8	162.3	-58.9	-24.1	0	0	0	116.2
67	D	44.3	Very low	46.5	Very low	143 Å²	143	137.9 Å²	137.9	77%	0.765	80%	0.797	S	S	*	*				45.9	103.8	80.5	-78.1	-19.2	0	0	0	110.4
68	D	50.6	Low	46.3	Very low	141 Å²	141	139.6 Å²	139.6	75%	0.754	80%	0.802	S	S	*	*			trans	168.6	125.7	131.4	-83	-23.2	0	0	0	109.1
69	D	44.3	Very low	46.3	Very low	137 Å²	137	143.4 Å²	143.4	73%	0.733	81%	0.807	S	S	*	*			trans	53.5	108.1	138.7	-50.7	-26.1	0	0	0	118.4
70	V	53.2	Low	46.5	Very low	143 Å²	143	143.4 Å²	143.4	87%	0.867	79%	0.793	S	S	*	*				-165.6	114.6	113.8	-101	0	0	0	0	111.8
71	D	49.6	Very low	46.6	Very low	146 Å²	146	148.9 Å²	148.9	78%	0.781	80%	0.799	S	S	*	*			trans	-4.4	133.7	151	-63	-48.5	0	0	0	119.1	V73	D71-V73 PolarHBondContact O-N 3.02Å
72	E	46.3	Very low	46.6	Very low	202 Å²	202	147.1 Å²	147.1	94%	0.944	79%	0.79	S	S	*	*			trans	-42.6	116.9	155.9	-62.7	-178.5	160.3	0	0	111
73	V	51	Low	46.5	Very low	114 Å²	114	145.3 Å²	145.3	69%	0.691	76%	0.764	S	S	*	*			trans	-126.9	114.9	163.3	-160.5	0	0	0	0	108.5	D71 E75	D71-V73 PolarHBondContact O-N 3.02Å; V73-E75 HydrophobicContact CG1-CG 4.46Å; V73-E75 PolarHBondContact O-N 3.08Å
74	E	44.4	Very low	46.3	Very low	188 Å²	188	146.6 Å²	146.6	88%	0.879	76%	0.757	S	S	*	*			trans	-56.6	116.2	162.2	-64.4	176.4	139.6	0	0	110.2
75	E	51.1	Low	46.2	Very low	167 Å²	167	145.4 Å²	145.4	78%	0.78	75%	0.748	S	S	*	*			trans	-140.9	97	156.8	-65.1	-166.5	168.2	0	0	105.6	V73	V73-E75 HydrophobicContact CG1-CG 4.46Å; V73-E75 PolarHBondContact O-N 3.08Å
76	R	44.4	Very low	46.1	Very low	234 Å²	234	146.8 Å²	146.8	88%	0.883	75%	0.747	S	S	*	*				46.6	79.6	84.3	-89.3	-176.9	44.3	-177.9	-11.1	112.6	D78	R76-D78 PolarHBondContact O-N 3.35Å; R76-D78 VanDerWaalsContact O-N 3.09Å
77	D	46.9	Very low	46.2	Very low	156 Å²	156	145.4 Å²	145.4	83%	0.834	75%	0.747	S	S	*	*			trans	-64.4	101.2	157.1	-66	-38.3	0	0	0	109.6
78	D	45.4	Very low	46.2	Very low	143 Å²	143	146 Å²	146	77%	0.765	75%	0.75	S	S	*	*				27.2	98.6	114.2	-59.6	-18.4	0	0	0	116.6	R76	R76-D78 PolarHBondContact O-N 3.35Å; R76-D78 VanDerWaalsContact O-N 3.09Å
79	K	47.3	Very low	45.9	Very low	195 Å²	195	146.6 Å²	146.6	85%	0.848	75%	0.754	S	S	*	*			trans	-146.8	142.7	134.8	-66.2	-160	179	178	0	109.2
80	D	48.1	Very low	46	Very low	100 Å²	100	147.2 Å²	147.2	54%	0.535	76%	0.757	S	S	.	*			trans	85.6	65.9	167	-52.4	2.1	0	0	0	115.9	G82 D125	D80-G82 PolarHBondContact O-N 3.25Å; D80-D125 VanDerWaalsContact OD1-OD2 3.12Å
81	F	47	Very low	45.8	Very low	217 Å²	217	147.2 Å²	147.2	95%	0.952	75%	0.752	S	S	*	*			trans	-79.2	99.2	155	-144.8	-87.8	0	0	0	108.7
82	G	38.4	Very low	45.8	Very low	66 Å²	66	147.6 Å²	147.6	68%	0.68	75%	0.754	S	S	*	*			trans	69.3	93.5	144.6	0	0	0	0	0	117.7	D80	D80-G82 PolarHBondContact O-N 3.25Å
83	H	42	Very low	46	Very low	65 Å²	65	144.6 Å²	144.6	30%	0.301	75%	0.749	S	S	.	*			trans	-140.6	127.6	144.2	-162.6	166.3	0	0	0	107.2	E126 C128	H83-E126 VanDerWaalsContact C-OE2 3.3Å; H83-E126 HydrophobicContact CB-CB 3.7Å; H83-E126 HydrophobicContact CB-CG 3.91Å; H83-E126 WeakPolarHBondContact CB-OE2 3.25Å; H83-E126 IonicContact CD2-OE1 2.9Å; H83-E126 PolarHBondContact CD2-OE1 3.34Å; H83-E126 IonicContact CD2-OE2 3.91Å; H83-E126 VanDerWaalsContact CE1-CG 3.45Å; H83-E126 WeakPolarHBondContact CE1-CG 3.22Å; H83-E126 IonicContact CE1-OE1 3.59Å; H83-E126 VanDerWaalsContact CG-CG 3.43Å; H83-E126 IonicContact CG-OE1 3.14Å; H83-E126 IonicContact CG-OE2 3.4Å; H83-E126 VanDerWaalsContact ND1-C 3.27Å; H83-E126 WeakPolarHBondContact ND1-CB 3.45Å; H83-E126 WeakPolarHBondContact ND1-CG 3.13Å; H83-E126 PolarHBondContact ND1-O 3.17Å; H83-E126 VanDerWaalsContact ND1-O 3.07Å; H83-E126 IonicContact ND1-OE1 3.6Å; H83-E126 IonicContact ND1-OE2 3.99Å; H83-E126 IonicContact NE2-OE1 3.27Å; H83-E126 PolarHBondContact NE2-OE1 3.02Å; H83-C128 PolarHBondContact CE1-N 3.06Å; H83-C128 PolarHBondContact CE1-SG 3.22Å; H83-C128 PolarHBondContact NE2-SG 3.3Å; H83-C128 VanDerWaalsContact NE2-SG 3.35Å
84	D	39.3	Very low	45.8	Very low	123 Å²	123	143.7 Å²	143.7	66%	0.658	75%	0.753	S	S	*	*			trans	-117.5	78.1	-162.9	-167.9	21.4	0	0	0	106.2	F86	D84-F86 WeakPolarHBondContact OD1-CD2 3.47Å; D84-F86 WeakPolarHBondContact OD1-CE2 3.5Å
85	V	45.8	Very low	46	Very low	90 Å²	90	141.5 Å²	141.5	55%	0.545	75%	0.748	S	S	.	*			trans	-98.8	84.4	167.5	171.2	0	0	0	0	108.5	C87 E126	V85-C87 HydrophobicContact CG1-CB 3.95Å; V85-C87 PolarHBondContact O-N 2.93Å; V85-C87 VanDerWaalsContact O-N 3.1Å; V85-E126 WeakPolarHBondContact CB-OE1 3.11Å; V85-E126 WeakPolarHBondContact CG2-OE1 2.87Å
86	F	43.5	Very low	45.8	Very low	176 Å²	176	140.4 Å²	140.4	77%	0.772	75%	0.747	S	S	*	*			trans	-71.1	85.2	151.9	-72.7	-76.9	0	0	0	108.5	D84	D84-F86 WeakPolarHBondContact OD1-CD2 3.47Å; D84-F86 WeakPolarHBondContact OD1-CE2 3.5Å
87	C	48.4	Very low	45.9	Very low	108 Å²	108	137.9 Å²	137.9	73%	0.73	75%	0.746	S	S	*	*			trans	-109.6	71.1	154.7	-77.7	0	0	0	0	107.4	V85	V85-C87 HydrophobicContact CG1-CB 3.95Å; V85-C87 PolarHBondContact O-N 2.93Å; V85-C87 VanDerWaalsContact O-N 3.1Å
88	D	43	Very low	46	Very low	155 Å²	155	138.1 Å²	138.1	83%	0.829	75%	0.747	S	S	*	*			trans	-115.4	112.6	152.5	-89.4	-32	0	0	0	106.5	D90	D88-D90 PolarHBondContact O-N 3.11Å
89	D	44.1	Very low	45.9	Very low	154 Å²	154	140.8 Å²	140.8	82%	0.824	75%	0.752	S	S	*	*			trans	-36.9	123.1	156	-69.8	-49.9	0	0	0	110.4
90	D	46.4	Very low	45.5	Very low	149 Å²	149	134.2 Å²	134.2	80%	0.797	74%	0.739	S	S	*	*			trans	-172.6	108.4	136.3	-91.3	-25.6	0	0	0	107.9	D88	D88-D90 PolarHBondContact O-N 3.11Å
91	D	48.9	Very low	45.3	Very low	143 Å²	143	140 Å²	140	77%	0.765	76%	0.755	S	S	*	*				35.3	100.6	129.9	-74.6	-24.6	0	0	0	116.6
92	D	50.3	Low	45	Very low	155 Å²	155	135.7 Å²	135.7	83%	0.829	74%	0.742	S	S	*	*				-174.5	96.6	125.6	-90.3	-28.9	0	0	0	112
93	V	50.1	Low	45.2	Very low	139 Å²	139	139.8 Å²	139.8	84%	0.842	74%	0.743	S	S	*	*			trans	42.1	92.5	134.8	-167.2	0	0	0	0	116.7
94	A	46.4	Very low	45.5	Very low	94 Å²	94	144 Å²	144	78%	0.777	77%	0.767	S	S	*	*			trans	-93	133	150.8	0	0	0	0	0	110.1
95	D	49.6	Very low	45.7	Very low	142 Å²	142	143.4 Å²	143.4	76%	0.759	77%	0.771	S	S	*	*			trans	28.9	114.7	151.1	-77.2	-27.7	0	0	0	118.4
96	D	47.6	Very low	45.5	Very low	144 Å²	144	145.4 Å²	145.4	77%	0.77	78%	0.779	S	S	*	*				56.2	119.9	85.8	-97.8	-11.1	0	0	0	113.7
97	E	45.3	Very low	45.5	Very low	181 Å²	181	143.7 Å²	143.7	85%	0.846	78%	0.778	S	S	*	*			trans	72.3	77.6	161.7	-53	-166.6	159.5	0	0	118
98	D	49.3	Very low	45.2	Very low	162 Å²	162	145.2 Å²	145.2	87%	0.866	78%	0.779	S	S	*	*				-155.8	149.2	113	-134.3	-18.8	0	0	0	114.9
99	K	42.8	Very low	45.2	Very low	199 Å²	199	144.2 Å²	144.2	87%	0.865	77%	0.773	S	S	*	*			trans	-92.7	135.4	-169.4	-65.2	162.4	-179.9	151.2	0	110.5
100	G	39	Very low	45.2	Very low	56 Å²	56	143.3 Å²	143.3	58%	0.577	77%	0.769	S	S	*	*			trans	154.3	115.8	143.8	0	0	0	0	0	115.3
101	Y	43.8	Very low	44.9	Very low	221 Å²	221	143.1 Å²	143.1	87%	0.867	77%	0.768	S	S	*	*			trans	42.6	135.3	137.1	-47.2	-80.4	0	0	0	117.7
102	D	40.3	Very low	44.9	Very low	127 Å²	127	142.4 Å²	142.4	68%	0.679	77%	0.768	S	S	*	*			cis	-170.4	135.5	15.3	-120.9	-17.7	0	0	0	102.2
103	E	44.1	Very low	44.5	Very low	152 Å²	152	139 Å²	139	71%	0.71	76%	0.762	S	S	*	*				62.7	101.3	105.3	-137.3	-178.8	-160.7	0	0	113.7
104	L	48.1	Very low	44.3	Very low	154 Å²	154	142.1 Å²	142.1	81%	0.806	77%	0.767	S	S	*	*				166.3	123.2	106.1	-82	168.4	0	0	0	111.6
105	C	43.8	Very low	44	Very low	110 Å²	110	141.5 Å²	141.5	74%	0.743	77%	0.77	S	S	*	*			trans	-48.8	143.5	157.7	-55.5	0	0	0	0	111.4
106	D	39.6	Very low	43.8	Very low	132 Å²	132	144 Å²	144	71%	0.706	78%	0.777	S	S	*	*				165.6	135.3	111.4	-96.2	-6.4	0	0	0	113.8
107	N	44.8	Very low	43.8	Very low	141 Å²	141	141.1 Å²	141.1	75%	0.754	77%	0.773	S	S	*	*			trans	71	133.9	151.6	-50	-32.7	0	0	0	116.2
108	N	42.8	Very low	43.9	Very low	140 Å²	140	138.6 Å²	138.6	75%	0.749	77%	0.766	S	S	*	*			cis	-178.8	129.7	37.5	-163.1	36.6	0	0	0	110.9
109	D	42	Very low	44	Very low	133 Å²	133	136.9 Å²	136.9	71%	0.711	76%	0.756	S	S	*	*			trans	43.5	140.1	140.2	-88.7	-11.7	0	0	0	125.8
110	N	43.4	Very low	44.3	Very low	136 Å²	136	134.3 Å²	134.3	73%	0.727	75%	0.752	S	S	*	*			trans	89.6	99.6	153.2	-72.9	-22.8	0	0	0	118.5
111	D	41.4	Very low	44.9	Very low	145 Å²	145	139.5 Å²	139.5	78%	0.775	77%	0.767	S	S	*	*				71.5	107.7	74	-91.4	-6.6	0	0	0	115.7
112	V	48.6	Very low	45.1	Very low	128 Å²	128	140 Å²	140	78%	0.776	77%	0.769	S	S	*	*				100.3	126.3	124	174.8	0	0	0	0	121.2
113	A	42.4	Very low	45.3	Very low	83 Å²	83	136.3 Å²	136.3	69%	0.686	76%	0.761	S	S	*	*			trans	81.2	106.7	149	0	0	0	0	0	118.2
114	E	44.4	Very low	45.3	Very low	204 Å²	204	137.5 Å²	137.5	95%	0.953	77%	0.766	S	S	*	*				65.3	116.4	77.2	-75.3	-162	-167.8	0	0	114.4
115	G	41	Very low	45.2	Very low	82 Å²	82	134.6 Å²	134.6	85%	0.845	75%	0.752	S	S	*	*			trans	174.5	88.6	170.8	0	0	0	0	0	111.4
116	E	45.8	Very low	45.5	Very low	193 Å²	193	132.9 Å²	132.9	90%	0.902	73%	0.733	S	S	*	*			trans	-69.8	174.7	177.1	-61.7	-162.7	159.6	0	0	114.9
117	A	46.1	Very low	45.7	Very low	84 Å²	84	134.1 Å²	134.1	69%	0.694	74%	0.738	S	S	*	*			trans	97.3	134.9	158.5	0	0	0	0	0	115
118	D	49.2	Very low	45.8	Very low	129 Å²	129	131.5 Å²	131.5	69%	0.69	73%	0.73	S	S	*	*			cis	-176.7	152.8	-5.4	-110.5	-17.6	0	0	0	104.4
119	D	50.9	Low	45.6	Very low	125 Å²	125	132.8 Å²	132.8	67%	0.668	73%	0.732	S	S	*	*			trans	63.2	132	144.6	-58.6	-5.9	0	0	0	119.1
120	D	49.5	Very low	45.8	Very low	145 Å²	145	133.1 Å²	133.1	78%	0.775	73%	0.734	S	S	*	*			cis	-165.6	123.8	3.3	-87.7	-39.3	0	0	0	105.3
121	D	51.3	Low	45.8	Very low	165 Å²	165	132.5 Å²	132.5	88%	0.882	73%	0.734	S	S	*	*			trans	-117.9	122.5	165.9	-149	0.2	0	0	0	108
122	Y	48.5	Very low	45.9	Very low	231 Å²	231	132.3 Å²	132.3	91%	0.906	73%	0.734	S	S	*	*			trans	-107.4	102.8	176.1	-134.9	-90.5	0	0	0	102.9
123	G	42.8	Very low	45.7	Very low	51 Å²	51	133.2 Å²	133.2	53%	0.526	73%	0.734	S	S	.	*				99.8	114.6	50.1	0	0	0	0	0	108.9
124	H	44.4	Very low	45.6	Very low	176 Å²	176	136 Å²	136	82%	0.815	74%	0.737	S	S	*	*			trans	81.5	133.7	171.2	-66	-88.8	0	0	0	117.6
125	D	46.9	Very low	45.4	Very low	94 Å²	94	135.1 Å²	135.1	50%	0.503	73%	0.733	S	S	.	*			cis	-152.8	138.3	0.1	64.2	-12.7	0	0	0	107.1	D80	D80-D125 VanDerWaalsContact OD1-OD2 3.12Å
126	E	49.2	Very low	45.5	Very low	73 Å²	73	135 Å²	135	34%	0.341	72%	0.724	S	S	.	*				62.7	77.5	78.4	-107.7	-161.5	154.6	0	0	116.5	H83 V85	H83-E126 VanDerWaalsContact C-OE2 3.3Å; H83-E126 HydrophobicContact CB-CB 3.7Å; H83-E126 HydrophobicContact CB-CG 3.91Å; H83-E126 WeakPolarHBondContact CB-OE2 3.25Å; H83-E126 IonicContact CD2-OE1 2.9Å; H83-E126 PolarHBondContact CD2-OE1 3.34Å; H83-E126 IonicContact CD2-OE2 3.91Å; H83-E126 VanDerWaalsContact CE1-CG 3.45Å; H83-E126 WeakPolarHBondContact CE1-CG 3.22Å; H83-E126 IonicContact CE1-OE1 3.59Å; H83-E126 VanDerWaalsContact CG-CG 3.43Å; H83-E126 IonicContact CG-OE1 3.14Å; H83-E126 IonicContact CG-OE2 3.4Å; H83-E126 VanDerWaalsContact ND1-C 3.27Å; H83-E126 WeakPolarHBondContact ND1-CB 3.45Å; H83-E126 WeakPolarHBondContact ND1-CG 3.13Å; H83-E126 PolarHBondContact ND1-O 3.17Å; H83-E126 VanDerWaalsContact ND1-O 3.07Å; H83-E126 IonicContact ND1-OE1 3.6Å; H83-E126 IonicContact ND1-OE2 3.99Å; H83-E126 IonicContact NE2-OE1 3.27Å; H83-E126 PolarHBondContact NE2-OE1 3.02Å; V85-E126 WeakPolarHBondContact CB-OE1 3.11Å; V85-E126 WeakPolarHBondContact CG2-OE1 2.87Å
127	L	45	Very low	45.6	Very low	158 Å²	158	135.3 Å²	135.3	83%	0.827	72%	0.719	S	S	*	*			trans	-136.4	113.4	140.2	-76.1	-180	0	0	0	110.1
128	C	47.3	Very low	45.5	Very low	87 Å²	87	139.1 Å²	139.1	59%	0.588	73%	0.728	S	S	*	*			trans	-51.5	149.6	153.5	-68.2	0	0	0	0	108.6	H83	H83-C128 PolarHBondContact CE1-N 3.06Å; H83-C128 PolarHBondContact CE1-SG 3.22Å; H83-C128 PolarHBondContact NE2-SG 3.3Å; H83-C128 VanDerWaalsContact NE2-SG 3.35Å
129	E	38.6	Very low	45.3	Very low	167 Å²	167	140.8 Å²	140.8	78%	0.78	73%	0.731	S	S	*	*				-155	154.2	51.5	-73.4	173.5	163.4	0	0	110.1
130	D	44.5	Very low	45.1	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	73%	0.73	S	S	*	*			trans	73.3	92.9	160.7	-51.4	-20.9	0	0	0	116
131	V	44.8	Very low	44.6	Very low	123 Å²	123	142.8 Å²	142.8	75%	0.745	73%	0.729	S	S	*	*				57.6	128.4	65.2	-174.1	0	0	0	0	112
132	D	43.4	Very low	44.2	Very low	142 Å²	142	138.2 Å²	138.2	76%	0.759	72%	0.721	S	S	*	*			trans	83	84.7	-178.8	-51.6	-26.6	0	0	0	112
133	D	43.1	Very low	43.7	Very low	146 Å²	146	136.7 Å²	136.7	78%	0.781	72%	0.715	S	S	*	*				39.3	127.9	54.9	-119.6	1.9	0	0	0	112.8
134	D	41.6	Very low	43.8	Very low	141 Å²	141	141.5 Å²	141.5	75%	0.754	73%	0.729	S	S	*	*			trans	82	130.8	172.7	-61.8	-29.6	0	0	0	119.4
135	E	40.1	Very low	43.5	Very low	186 Å²	186	140.7 Å²	140.7	87%	0.869	72%	0.723	S	S	*	*			trans	78.4	138.5	151.5	-73.5	179.7	167	0	0	118.1
136	A	42.8	Very low	43.3	Very low	80 Å²	80	142.6 Å²	142.6	66%	0.661	74%	0.738	S	S	*	*			cis	-146.3	128.9	9.3	0	0	0	0	0	106.3
137	Y	46.9	Very low	42.9	Very low	199 Å²	199	143.7 Å²	143.7	78%	0.78	75%	0.752	S	S	*	*				43.5	95.1	93.3	-85.6	-86.3	0	0	0	112.3	E139	Y137-E139 PolarHBondContact O-N 3.25Å
138	D	45.3	Very low	42.4	Very low	165 Å²	165	143 Å²	143	88%	0.882	75%	0.749	S	S	*	*	S	Bend	trans	-53.5	85.6	146.2	-175.3	20.1	0	0	0	108.2
139	E	44.3	Very low	41.9	Very low	163 Å²	163	146.1 Å²	146.1	76%	0.762	76%	0.76	S	S	*	*			trans	-156.4	120.9	166	-114.1	170.2	-153.2	0	0	112	Y137	Y137-E139 PolarHBondContact O-N 3.25Å
140	D	46.3	Very low	41.9	Very low	122 Å²	122	146.6 Å²	146.6	65%	0.652	76%	0.76	S	S	*	*			trans	-44.3	155.4	161.3	-157.1	4.3	0	0	0	112
141	Y	40.6	Very low	41.7	Very low	190 Å²	190	146.9 Å²	146.9	75%	0.745	76%	0.761	S	S	*	*			trans	84.9	111.4	170.1	-56.4	-86.4	0	0	0	120.1
142	G	40.9	Very low	41.4	Very low	70 Å²	70	147 Å²	147	72%	0.722	76%	0.762	S	S	*	*			trans	177.3	78.6	160.6	0	0	0	0	0	116.3
143	Y	37.9	Very low	41.2	Very low	198 Å²	198	146.4 Å²	146.4	78%	0.776	76%	0.759	S	S	*	*			trans	-9	134.7	155.7	-52.9	-94.6	0	0	0	118.1
144	D	44.9	Very low	41.1	Very low	152 Å²	152	145.5 Å²	145.5	81%	0.813	75%	0.754	S	S	*	*				-136.4	118.8	128.7	-160.6	7.1	0	0	0	111.7
145	K	39.3	Very low	41	Very low	159 Å²	159	145 Å²	145	69%	0.691	75%	0.751	S	S	*	*			trans	-88.5	107.5	171.9	-87	175.7	169.2	177.3	0	106	C147	K145-C147 PolarHBondContact O-N 2.9Å
146	V	43.3	Very low	41	Very low	135 Å²	135	144.3 Å²	144.3	82%	0.818	75%	0.748	S	S	*	*			trans	-75.2	85.2	152.7	-156	0	0	0	0	106.9
147	C	39.3	Very low	40.8	Very low	96 Å²	96	148.4 Å²	148.4	65%	0.649	75%	0.753	S	S	*	*			trans	-78	104.1	156.8	-76.3	0	0	0	0	106.9	K145	K145-C147 PolarHBondContact O-N 2.9Å
148	D	35.9	Very low	40.4	Very low	142 Å²	142	146.3 Å²	146.3	76%	0.759	76%	0.756	S	S	*	*			trans	-126.7	92.5	149.5	-112.8	-22.3	0	0	0	107.5	K150	D148-K150 PolarHBondContact O-N 3.48Å
149	D	36.2	Very low	40.1	Very low	154 Å²	154	145.7 Å²	145.7	82%	0.824	75%	0.747	S	S	*	*			trans	-55.8	113.2	156.1	-93.1	-34.8	0	0	0	108.1
150	K	38.7	Very low	39.7	Very low	177 Å²	177	144.8 Å²	144.8	77%	0.77	75%	0.753	S	S	*	*			trans	-137.5	105.3	146.6	-69.1	-159	179.3	176.8	0	109	D148	D148-K150 PolarHBondContact O-N 3.48Å
151	D	40.5	Very low	39.3	Very low	144 Å²	144	145.2 Å²	145.2	77%	0.77	75%	0.751	S	S	*	*				36.1	97.9	127.7	-55.8	-27.9	0	0	0	113.8
152	V	37.3	Very low	39	Very low	125 Å²	125	145.2 Å²	145.2	76%	0.758	76%	0.758	S	S	*	*				27.7	85.6	77.6	-174.3	0	0	0	0	111.1
153	D	41	Very low	38.8	Very low	130 Å²	130	150.5 Å²	150.5	70%	0.695	76%	0.756	S	S	*	*				175.2	143.5	119.2	-87.7	-28.4	0	0	0	109.2
154	D	39.8	Very low	38.7	Very low	127 Å²	127	147.7 Å²	147.7	68%	0.679	75%	0.754	S	S	*	*			trans	77.2	129	142	-71.6	-14	0	0	0	120.5
155	D	40.2	Very low	38.5	Very low	131 Å²	131	145.6 Å²	145.6	70%	0.701	74%	0.743	S	S	*	*			trans	75	132	143.4	-55	-16.7	0	0	0	115.7
156	E	40.4	Very low	38.4	Very low	172 Å²	172	146.4 Å²	146.4	80%	0.804	75%	0.747	S	S	*	*			cis	-167.6	151.5	9.4	-118.1	175.1	172.3	0	0	105.3
157	E	37.6	Very low	38.2	Very low	165 Å²	165	147 Å²	147	77%	0.771	75%	0.745	S	S	*	*			trans	-4.9	126.6	156	-49.4	-161.1	156.9	0	0	119.1
158	D	39.2	Very low	38	Very low	155 Å²	155	152.7 Å²	152.7	83%	0.829	76%	0.759	S	S	*	*			trans	-160.2	89.8	135.6	-117.7	-13.1	0	0	0	106.5
159	E	37.6	Very low	37.9	Very low	152 Å²	152	148.7 Å²	148.7	71%	0.71	75%	0.752	S	S	*	*				56.9	87.5	87.9	-66.7	-155.5	171.4	0	0	113.9
160	V	37.6	Very low	37.6	Very low	144 Å²	144	149.8 Å²	149.8	87%	0.873	75%	0.752	S	S	*	*				-160.1	105.2	125.7	-110.9	0	0	0	0	112.7
161	E	38	Very low	37.2	Very low	131 Å²	131	147.8 Å²	147.8	61%	0.612	75%	0.749	S	S	*	*			trans	51.6	91	143.5	-66.2	-169.4	156.2	0	0	119.8	R163	E161-R163 IonicContact OE1-CZ 3.24Å; E161-R163 VanDerWaalsContact OE1-CZ 3.24Å; E161-R163 IonicContact OE1-NH1 2.67Å; E161-R163 PolarHBondContact OE1-NH1 3.16Å; E161-R163 IonicContact OE1-NH2 3.3Å; E161-R163 PolarHBondContact OE1-NH2 3.2Å; E161-R163 IonicContact OE2-CZ 3.49Å; E161-R163 IonicContact OE2-NH1 3.71Å; E161-R163 IonicContact OE2-NH2 2.84Å; E161-R163 PolarHBondContact OE2-NH2 3.05Å
162	E	33.4	Very low	36.7	Very low	190 Å²	190	145 Å²	145	89%	0.888	75%	0.746	S	S	*	*				-63.4	125.1	125.4	-66.8	-173.4	155.5	0	0	109.5
163	R	37.4	Very low	36.2	Very low	181 Å²	181	148.2 Å²	148.2	68%	0.683	75%	0.75	S	S	*	*			trans	-147.3	106.9	147	-76.9	-162.6	-55.2	-103	-23.2	107.3	E161	E161-R163 IonicContact OE1-CZ 3.24Å; E161-R163 VanDerWaalsContact OE1-CZ 3.24Å; E161-R163 IonicContact OE1-NH1 2.67Å; E161-R163 PolarHBondContact OE1-NH1 3.16Å; E161-R163 IonicContact OE1-NH2 3.3Å; E161-R163 PolarHBondContact OE1-NH2 3.2Å; E161-R163 IonicContact OE2-CZ 3.49Å; E161-R163 IonicContact OE2-NH1 3.71Å; E161-R163 IonicContact OE2-NH2 2.84Å; E161-R163 PolarHBondContact OE2-NH2 3.05Å
164	D	34.5	Very low	35.8	Very low	139 Å²	139	147.2 Å²	147.2	74%	0.743	75%	0.752	S	S	*	*				57.3	133.1	78.9	-89.3	-19.1	0	0	0	114.7
165	D	40.4	Very low	35.4	Very low	108 Å²	108	147.3 Å²	147.3	58%	0.578	76%	0.757	S	S	*	*			trans	81.4	107	151	-62.5	-35.2	0	0	0	117.4
166	K	37.8	Very low	35.2	Very low	177 Å²	177	147.8 Å²	147.8	77%	0.77	76%	0.759	S	S	*	*				70.7	139.2	87.7	-71	-168.8	-161.1	88.8	0	112.5
167	D	38.9	Very low	35.3	Very low	148 Å²	148	146.2 Å²	146.2	79%	0.791	76%	0.756	S	S	*	*			trans	81	95.6	174.5	-66.6	-19.9	0	0	0	116.8
168	F	35.2	Very low	35.5	Very low	215 Å²	215	145.2 Å²	145.2	94%	0.943	76%	0.756	S	S	*	*				-151.5	105.1	96.6	-104.3	-86.3	0	0	0	106.7
169	G	34.4	Very low	35.9	Very low	58 Å²	58	144.6 Å²	144.6	60%	0.598	75%	0.753	S	S	*	*				92.8	108	102.5	0	0	0	0	0	108.9
170	H	29.7	Very low	36.6	Very low	177 Å²	177	144 Å²	144	82%	0.819	76%	0.755	S	S	*	*				47.7	110.4	93.3	-86.8	155.5	0	0	0	109.8
171	D	31.1	Very low	37.4	Very low	135 Å²	135	143.9 Å²	143.9	72%	0.722	75%	0.749	S	S	*	*			cis	-166.1	153.7	39.9	-78.9	-43.7	0	0	0	112.2
172	A	29.1	Very low	38	Very low	84 Å²	84	144 Å²	144	69%	0.694	76%	0.759	S	S	*	*			trans	41.4	120.7	136.2	0	0	0	0	0	119.1
173	F	27	Very low	38.5	Very low	194 Å²	194	138.8 Å²	138.8	85%	0.851	75%	0.748	S	S	*	*				35.6	120.3	82.9	-87.4	-94	0	0	0	114.5
174	C	31.6	Very low	39.2	Very low	108 Å²	108	136.6 Å²	136.6	73%	0.73	75%	0.75	S	S	*	*			trans	88.9	121.8	156	-57.2	0	0	0	0	118.4
175	V	33.2	Very low	40.2	Very low	129 Å²	129	136.3 Å²	136.3	78%	0.782	75%	0.748	S	S	*	*				83.9	148	129.2	176.8	0	0	0	0	118.2
176	D	35.1	Very low	40.7	Very low	141 Å²	141	138.7 Å²	138.7	75%	0.754	76%	0.756	S	S	*	*			trans	-26.4	169.9	163.6	-67.7	-51.7	0	0	0	118.1
177	D	42.8	Very low	41.3	Very low	139 Å²	139	139.4 Å²	139.4	74%	0.743	76%	0.755	S	S	*	*			trans	94.2	105.1	166.3	-62.5	-18.3	0	0	0	113.7
178	D	42.4	Very low	41.7	Very low	144 Å²	144	141.3 Å²	141.3	77%	0.77	76%	0.757	S	S	*	*				81.1	150	78.2	-83.6	-15.5	0	0	0	112.5
179	D	46.3	Very low	42	Very low	143 Å²	143	134.2 Å²	134.2	77%	0.765	74%	0.744	S	S	*	*			trans	85.1	101.9	172.5	-60.2	-22	0	0	0	116.3
180	D	52.1	Low	42.5	Very low	138 Å²	138	142.3 Å²	142.3	74%	0.738	76%	0.758	S	S	*	*				68.4	112.7	79.7	-86.5	-18.9	0	0	0	111.6
181	D	54.4	Low	43.1	Very low	142 Å²	142	141 Å²	141	76%	0.759	76%	0.757	S	S	*	*				169.5	114.5	119.6	-83.5	-25.6	0	0	0	110.7
182	V	50.8	Low	43.9	Very low	134 Å²	134	141.8 Å²	141.8	81%	0.812	76%	0.756	S	S	*	*				73.1	127.6	108.4	-179.5	0	0	0	0	112.3
183	A	44.8	Very low	44.8	Very low	80 Å²	80	144.3 Å²	144.3	66%	0.661	76%	0.757	S	S	*	*			cis	-169.6	151.4	6.2	0	0	0	0	0	106.5
184	D	52.1	Low	45.7	Very low	136 Å²	136	141 Å²	141	73%	0.727	76%	0.757	S	S	*	*				179.2	120.6	119.5	-122	5.9	0	0	0	108.8
185	D	54	Low	46.5	Very low	132 Å²	132	144 Å²	144	71%	0.706	76%	0.757	S	S	*	*			trans	52.2	136.9	131.2	-58.5	-3.8	0	0	0	119.8
186	E	51.9	Low	47	Very low	158 Å²	158	144.5 Å²	144.5	74%	0.738	76%	0.756	S	S	*	*			cis	-179.1	117.5	-0.6	172.3	172.6	-172.4	0	0	103.1
187	Y	51	Low	47.6	Very low	193 Å²	193	143.6 Å²	143.6	76%	0.757	76%	0.755	S	S	*	*			trans	76.3	114.8	133.3	-135.4	-124.5	0	0	0	120.4
188	K	46	Very low	47.8	Very low	188 Å²	188	143.5 Å²	143.5	82%	0.817	76%	0.755	S	S	*	*				153.7	118.5	107	-80.1	-175.9	-169.2	178.4	0	112.6
189	G	42.4	Very low	48.2	Very low	65 Å²	65	143.4 Å²	143.4	67%	0.67	75%	0.754	S	S	*	*			trans	145.9	88	149.5	0	0	0	0	0	116.4
190	Y	44.7	Very low	48.6	Very low	228 Å²	228	143.1 Å²	143.1	89%	0.894	75%	0.753	S	S	*	*			trans	21.6	111	147.4	-52.4	-82.8	0	0	0	117.4
191	D	41.7	Very low	48.6	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	76%	0.759	S	S	*	*				61	138.6	64.6	-152	10.1	0	0	0	114.1
192	E	48.9	Very low	48.2	Very low	150 Å²	150	140.8 Å²	140.8	70%	0.701	76%	0.757	S	S	*	*			trans	95.2	96.9	161.6	-72.3	-164.1	134.7	0	0	121.8
193	L	47.6	Very low	48.5	Very low	137 Å²	137	143.1 Å²	143.1	72%	0.717	76%	0.758	S	S	*	*				102.9	110.8	116.7	-63.9	168.9	0	0	0	119.7
194	C	45.8	Very low	49	Very low	125 Å²	125	146.2 Å²	146.2	85%	0.845	76%	0.764	S	S	*	*			trans	-48.2	137.7	153.1	-52.1	0	0	0	0	113.7
195	K	47.8	Very low	49.1	Very low	170 Å²	170	145.5 Å²	145.5	74%	0.739	76%	0.76	S	S	*	*			trans	-155.1	117.3	151.1	-63.8	-165.8	-177.2	167.1	0	108.9
196	D	45.3	Very low	48.8	Very low	140 Å²	140	146.8 Å²	146.8	75%	0.749	76%	0.762	S	S	*	*				79	102.2	104.8	-57.5	-26.7	0	0	0	111
197	V	47.2	Very low	48.5	Very low	122 Å²	122	145.9 Å²	145.9	74%	0.739	77%	0.767	S	S	*	*				60.4	116.4	80.2	-178	0	0	0	0	113.1
198	D	45.8	Very low	48.3	Very low	138 Å²	138	142.8 Å²	142.8	74%	0.738	76%	0.763	S	S	*	*			trans	61.2	122.1	157.9	-56.6	-19.6	0	0	0	119.9
199	D	51.2	Low	48.3	Very low	142 Å²	142	139.8 Å²	139.8	76%	0.759	76%	0.756	S	S	*	*				169.9	128.2	116.8	-87.3	-17	0	0	0	112.6
200	D	55	Low	48.3	Very low	136 Å²	136	144.6 Å²	144.6	73%	0.727	76%	0.762	S	S	*	*			trans	74.6	104.3	137.9	-56.2	-21.1	0	0	0	123.5
201	N	52	Low	48.5	Very low	163 Å²	163	141.1 Å²	141.1	87%	0.872	76%	0.758	S	S	*	*				159.4	115.1	124.9	-100.3	18.5	0	0	0	109.1
202	G	46.6	Very low	48.4	Very low	69 Å²	69	143.1 Å²	143.1	71%	0.711	76%	0.76	S	S	*	*			cis	90.5	71.8	11.9	0	0	0	0	0	113
203	E	57.4	Low	47.9	Very low	182 Å²	182	139.5 Å²	139.5	85%	0.85	76%	0.763	S	S	*	*			trans	-162.4	116	146.7	-70	-151.7	166	0	0	106.6
204	D	54.6	Low	47.3	Very low	145 Å²	145	144.6 Å²	144.6	78%	0.775	78%	0.775	S	S	*	*				70.4	138.4	88.8	-105.6	9.5	0	0	0	111.6
205	D	53.9	Low	47	Very low	121 Å²	121	145.2 Å²	145.2	65%	0.647	77%	0.769	S	S	*	*			cis	-172.9	157.7	0.6	-154.3	8.6	0	0	0	106.1
206	E	47.9	Very low	46.5	Very low	159 Å²	159	145.8 Å²	145.8	74%	0.743	78%	0.775	S	S	*	*			trans	12.9	137.3	161.6	-36.2	-139.9	146.4	0	0	120.4
207	V	46.3	Very low	46.3	Very low	139 Å²	139	144.6 Å²	144.6	84%	0.842	77%	0.772	S	S	*	*				-164.4	121.7	79.2	-143.3	0	0	0	0	106.4
208	D	47.3	Very low	46.1	Very low	128 Å²	128	145.4 Å²	145.4	68%	0.684	78%	0.782	S	S	*	*				58.3	100.6	62.5	-132.1	31.6	0	0	0	116.1
209	D	44.5	Very low	45.6	Very low	126 Å²	126	146.1 Å²	146.1	67%	0.674	79%	0.785	S	S	*	*			trans	67.3	134.2	131.8	-70.8	-2	0	0	0	123.4
210	E	43.2	Very low	44.9	Very low	166 Å²	166	146.1 Å²	146.1	78%	0.776	79%	0.785	S	S	*	*			trans	79.2	105	148.3	-66.9	171	-175.7	0	0	120.5
211	D	48.2	Very low	43.8	Very low	154 Å²	154	146.5 Å²	146.5	82%	0.824	79%	0.787	S	S	*	*				172.4	99.7	118.6	-107.9	-20.4	0	0	0	109.7
212	F	39.1	Very low	43	Very low	194 Å²	194	144.5 Å²	144.5	85%	0.851	78%	0.781	S	S	*	*				52.1	118.2	83.6	-85.1	-85.3	0	0	0	116.5
213	G	39.5	Very low	42.8	Very low	74 Å²	74	148.9 Å²	148.9	76%	0.763	79%	0.788	S	S	*	*			trans	102.4	111.1	130.5	0	0	0	0	0	117.6
214	Y	34.9	Very low	41.9	Very low	244 Å²	244	149.1 Å²	149.1	96%	0.957	78%	0.783	S	S	*	*			trans	-61.1	123.4	152.1	-69.3	-97.7	0	0	0	109.9
215	D	39.5	Very low	41.3	Very low	138 Å²	138	150.8 Å²	150.8	74%	0.738	78%	0.779	S	S	*	*			trans	-171.3	96.1	161.1	-143.3	6.8	0	0	0	108.2
216	E	37.6	Very low	40.8	Very low	181 Å²	181	152.9 Å²	152.9	85%	0.846	79%	0.791	S	S	*	*				43.1	77.8	91.8	-156.4	176.3	-161.5	0	0	115.4
217	V	41.5	Very low	40.5	Very low	115 Å²	115	151.5 Å²	151.5	70%	0.697	79%	0.788	S	S	*	*			trans	-156.8	105.6	148.2	-123.6	0	0	0	0	110.5
218	C	41.2	Very low	40.4	Very low	139 Å²	139	152.4 Å²	152.4	94%	0.939	79%	0.788	S	S	*	*			trans	-89.4	101.6	153	-78	0	0	0	0	106.3	D220	C218-D220 PolarHBondContact O-N 3.4Å
219	D	37.2	Very low	40	Very low	153 Å²	153	152.7 Å²	152.7	82%	0.818	79%	0.79	S	S	*	*			trans	-68.5	123.6	170.6	-96.1	-33.7	0	0	0	109.7
220	D	35.2	Very low	39.6	Very low	142 Å²	142	153.1 Å²	153.1	76%	0.759	79%	0.792	S	S	*	*			trans	-61.4	153.1	164.3	-96.6	-31.8	0	0	0	111.9	C218	C218-D220 PolarHBondContact O-N 3.4Å
221	D	31.8	Very low	39.5	Very low	144 Å²	144	151.3 Å²	151.3	77%	0.77	79%	0.788	S	S	*	*			trans	74.5	124.3	155.1	-63.9	-31.3	0	0	0	119.3
222	V	35.1	Very low	39.2	Very low	121 Å²	121	150.2 Å²	150.2	73%	0.733	78%	0.782	S	S	*	*				157.2	101.5	118.3	167.7	0	0	0	0	109
223	D	43	Very low	39.1	Very low	162 Å²	162	148.2 Å²	148.2	87%	0.866	78%	0.78	S	S	*	*				-175.3	132.1	108.9	-101.3	-31.7	0	0	0	113.6
224	Y	38.6	Very low	39.2	Very low	187 Å²	187	151.8 Å²	151.8	73%	0.733	78%	0.782	S	S	*	*			trans	-106.1	138.7	-168.8	-141	-77.3	0	0	0	107.9
225	Y	42.3	Very low	39.4	Very low	180 Å²	180	149.4 Å²	149.4	71%	0.706	78%	0.779	S	S	*	*			trans	85.8	111.1	167.3	-58.1	-73.8	0	0	0	119.7
226	D	43.6	Very low	39.5	Very low	165 Å²	165	147.4 Å²	147.4	88%	0.882	78%	0.782	S	S	*	*				-143	115.2	113.2	-154.2	-3.6	0	0	0	111.6
227	N	40.2	Very low	39.5	Very low	129 Å²	129	145.7 Å²	145.7	69%	0.69	78%	0.779	S	S	*	*			trans	-89.3	113.2	173.8	-101.1	-43.8	0	0	0	107.4
228	N	44.5	Very low	39.2	Very low	159 Å²	159	147.9 Å²	147.9	85%	0.85	79%	0.786	S	S	*	*			trans	-165.9	127.9	136.6	-127.4	-13	0	0	0	115.6
229	N	39.5	Very low	39.2	Very low	133 Å²	133	150.3 Å²	150.3	71%	0.711	78%	0.784	S	S	*	*			trans	99.1	68.5	141.6	-150.6	44	0	0	0	118.5
230	N	36.5	Very low	39.2	Very low	136 Å²	136	151.2 Å²	151.2	73%	0.727	79%	0.789	S	S	*	*				53.9	102.6	106	-158.7	36.1	0	0	0	115.8
231	N	41	Very low	39.5	Very low	128 Å²	128	148.1 Å²	148.1	68%	0.684	78%	0.778	S	S	*	*				163.2	111.8	99.2	-160.1	27	0	0	0	111.9
232	N	40.6	Very low	39.5	Very low	130 Å²	130	144.2 Å²	144.2	70%	0.695	77%	0.771	S	S	*	*			trans	72.3	104	150.8	-89.9	-4.1	0	0	0	122.2
233	N	36.8	Very low	39.2	Very low	153 Å²	153	144.6 Å²	144.6	82%	0.818	78%	0.778	S	S	*	*			trans	48.8	119.4	130.5	-71.8	6.5	0	0	0	117.7
234	N	42.4	Very low	38.6	Very low	149 Å²	149	144.3 Å²	144.3	80%	0.797	78%	0.776	S	S	*	*			cis	-170	73	36.1	-177.2	53.9	0	0	0	108.7
235	E	40.1	Very low	38.1	Very low	193 Å²	193	143.8 Å²	143.8	90%	0.902	78%	0.778	S	S	*	*			trans	-89.3	98.6	167.6	-90.5	170.1	155.6	0	0	107.8	N237	E235-N237 VanDerWaalsContact C-N 3.31Å; E235-N237 PolarHBondContact O-N 2.98Å
236	A	40.1	Very low	37.5	Very low	96 Å²	96	145.1 Å²	145.1	79%	0.793	79%	0.788	S	S	*	*			trans	-84	83	162.5	0	0	0	0	0	106.9
237	N	37.3	Very low	37.1	Very low	145 Å²	145	141.9 Å²	141.9	78%	0.775	78%	0.777	S	S	*	*			trans	-145.6	59.1	172.3	-145.4	16	0	0	0	109.5	E235	E235-N237 VanDerWaalsContact C-N 3.31Å; E235-N237 PolarHBondContact O-N 2.98Å
238	D	35.1	Very low	36.6	Very low	161 Å²	161	141 Å²	141	86%	0.861	78%	0.78	S	S	*	*			trans	-138	79.3	172.2	-81.2	-22.8	0	0	0	107.4
239	E	41.4	Very low	36.1	Very low	190 Å²	190	141.6 Å²	141.6	89%	0.888	78%	0.783	S	S	*	*			trans	-126.3	100	151.6	-84.4	-169.8	166.3	0	0	107.9	C241	E239-C241 PolarHBondContact O-N 3.35Å
240	D	38.5	Very low	35.9	Very low	172 Å²	172	139.1 Å²	139.1	92%	0.92	79%	0.789	S	S	*	*			trans	-44.8	100.1	163.6	-88.7	-45.1	0	0	0	111	G242	D240-G242 VanDerWaalsContact C-N 3.32Å; D240-G242 PolarHBondContact O-N 3.49Å
241	C	41	Very low	35.7	Very low	78 Å²	78	139.9 Å²	139.9	53%	0.527	79%	0.792	S	S	.	*			trans	-96.4	66.3	162.4	-156	0	0	0	0	107.9	E239 C247	E239-C241 PolarHBondContact O-N 3.35Å; C241-C247 HydrophobicContact CB-CB 4.34Å; C241-C247 WeakPolarHBondContact CB-SG 3.15Å; C241-C247 WeakPolarHBondContact SG-CB 2.85Å; C241-C247 CovalentContact SG-SG 2.09Å; C241-C247 PolarHBondContact SG-SG 3.24Å
242	G	30.7	Very low	35.6	Very low	61 Å²	61	140.9 Å²	140.9	63%	0.629	80%	0.798	S	S	*	*			trans	-75.9	139.5	167.6	0	0	0	0	0	110.8	D240	D240-G242 VanDerWaalsContact C-N 3.32Å; D240-G242 PolarHBondContact O-N 3.49Å
243	C	30.4	Very low	35.5	Very low	130 Å²	130	142 Å²	142	88%	0.878	80%	0.804	S	S	*	*	S	Bend	trans	21.3	118.1	171.1	-63.3	0	0	0	0	118.2
244	D	29	Very low	35.8	Very low	156 Å²	156	143.6 Å²	143.6	83%	0.834	81%	0.806	S	S	*	*	S	Bend	trans	66.7	82.5	171.3	-77.7	-21.4	0	0	0	116.4
245	K	30.1	Very low	35.9	Very low	176 Å²	176	143.9 Å²	143.9	77%	0.765	81%	0.808	S	S	*	*	S	Bend		168.2	127.2	129.5	-91.2	151.9	-169.5	165.1	0	110.8	C247	K245-C247 PolarHBondContact O-N 2.9Å
246	F	29.4	Very low	36	Very low	208 Å²	208	141.8 Å²	141.8	91%	0.912	80%	0.803	S	S	*	*			trans	3.8	88	152.8	-64	-90.3	0	0	0	116.3
247	C	34.1	Very low	36.3	Very low	97 Å²	97	146.2 Å²	146.2	66%	0.655	81%	0.807	S	S	*	*			trans	-102.8	72.2	168.2	-82.8	0	0	0	0	108.6	C241 K245	C241-C247 HydrophobicContact CB-CB 4.34Å; C241-C247 WeakPolarHBondContact CB-SG 3.15Å; C241-C247 WeakPolarHBondContact SG-CB 2.85Å; C241-C247 CovalentContact SG-SG 2.09Å; C241-C247 PolarHBondContact SG-SG 3.24Å; K245-C247 PolarHBondContact O-N 2.9Å
248	C	30.9	Very low	36.8	Very low	111 Å²	111	143.1 Å²	143.1	75%	0.75	80%	0.802	S	S	*	*			trans	-91.4	112.4	162.7	-73.8	0	0	0	0	107.8
249	N	33.3	Very low	37.4	Very low	171 Å²	171	142.4 Å²	142.4	91%	0.914	80%	0.798	S	S	*	*			trans	-173	130	145	-90.4	-13.4	0	0	0	109.5
250	G	35.5	Very low	37.9	Very low	81 Å²	81	139.3 Å²	139.3	84%	0.835	79%	0.788	S	S	*	*			trans	-149.5	78.9	171.3	0	0	0	0	0	108.7
251	D	31.2	Very low	38.5	Very low	151 Å²	151	137.6 Å²	137.6	81%	0.807	78%	0.778	S	S	*	*			trans	-88.5	162.1	157.6	-93.1	-35.3	0	0	0	109
252	D	40.2	Very low	38.7	Very low	149 Å²	149	140.5 Å²	140.5	80%	0.797	79%	0.789	S	S	*	*			trans	102.1	103.1	164.2	-56.9	-28.8	0	0	0	116.2
253	N	37.4	Very low	39.7	Very low	154 Å²	154	144.1 Å²	144.1	82%	0.824	79%	0.794	S	S	*	*				78.9	93.2	66.3	-164.2	30.8	0	0	0	112.3
254	E	44.5	Very low	40.8	Very low	186 Å²	186	144.1 Å²	144.1	87%	0.869	79%	0.785	S	S	*	*			trans	-124.9	127.8	165	-75.4	-166.3	165.7	0	0	111.2
255	N	44.6	Very low	41.7	Very low	156 Å²	156	144.6 Å²	144.6	83%	0.834	79%	0.788	S	S	*	*			trans	111.6	94.9	137	-119.1	13	0	0	0	119.6
256	D	42.3	Very low	42.6	Very low	149 Å²	149	142 Å²	142	80%	0.797	79%	0.786	S	S	*	*			trans	-45.6	137.6	147.2	-78.3	-45.5	0	0	0	112.8
257	E	44.5	Very low	43.2	Very low	188 Å²	188	142.2 Å²	142.2	88%	0.879	78%	0.782	S	S	*	*				173.2	139.7	115.3	-91.5	-161	-175.2	0	0	112.7
258	A	48.8	Very low	43.5	Very low	81 Å²	81	141.4 Å²	141.4	67%	0.669	79%	0.791	S	S	*	*			trans	85.3	102.7	147.3	0	0	0	0	0	121.2
259	D	47.5	Very low	43.8	Very low	146 Å²	146	141.5 Å²	141.5	78%	0.781	79%	0.788	S	S	*	*				77	135.6	118.1	-77.8	-16.8	0	0	0	122.8
260	D	52.2	Low	44	Very low	125 Å²	125	139.9 Å²	139.9	67%	0.668	78%	0.779	S	S	*	*			trans	88.4	98.5	146.1	-62	-11.2	0	0	0	120.1
261	D	50.1	Low	44.4	Very low	135 Å²	135	144.8 Å²	144.8	72%	0.722	78%	0.778	S	S	*	*				90.1	131.4	115.3	-68.1	-20.4	0	0	0	121.1
262	D	47.2	Very low	44.8	Very low	140 Å²	140	148.5 Å²	148.5	75%	0.749	78%	0.782	S	S	*	*			trans	90.8	81.2	150.9	-59.5	-20.2	0	0	0	119.3
263	D	51.7	Low	45.2	Very low	137 Å²	137	147.7 Å²	147.7	73%	0.733	78%	0.778	S	S	*	*				47.1	128.7	107.7	-73.3	-18.3	0	0	0	121
264	D	51.8	Low	45.3	Very low	130 Å²	130	145.6 Å²	145.6	70%	0.695	77%	0.772	S	S	*	*			trans	68.4	104	137.4	-63.9	-18.9	0	0	0	119.4
265	D	49.3	Very low	45	Very low	165 Å²	165	142.4 Å²	142.4	88%	0.882	76%	0.761	S	S	*	*				-177.5	139.4	94.8	-94.5	-31.9	0	0	0	114.8
266	V	48.2	Very low	44.7	Very low	122 Å²	122	141.5 Å²	141.5	74%	0.739	76%	0.756	S	S	*	*			trans	-100.7	132.6	-166.7	155.6	0	0	0	0	110.2
267	Y	42.2	Very low	44.7	Very low	212 Å²	212	141.2 Å²	141.2	83%	0.831	76%	0.76	S	S	*	*			trans	53.3	105.2	154.6	-76.8	-109.7	0	0	0	119.3
268	G	40.2	Very low	44.4	Very low	81 Å²	81	138.5 Å²	138.5	84%	0.835	75%	0.751	S	S	*	*			trans	-123.3	88	156.8	0	0	0	0	0	110.9
269	T	37.7	Very low	43.9	Very low	112 Å²	112	142 Å²	142	69%	0.687	76%	0.759	S	S	*	*			trans	-58.8	128.4	162.6	46.6	0	0	0	0	110.2
270	D	37.8	Very low	43.7	Very low	137 Å²	137	141.2 Å²	141.2	73%	0.733	76%	0.759	S	S	*	*				163.7	136.7	126.5	-88.1	-12.5	0	0	0	113.7
271	K	42.2	Very low	43	Very low	185 Å²	185	141.9 Å²	141.9	80%	0.804	76%	0.763	S	S	*	*			trans	83.1	94.1	151.8	-70.1	166.1	-176.5	173.2	0	119.2	N273	K271-N273 PolarHBondContact O-N 3.27Å
272	Y	41.2	Very low	42.8	Very low	229 Å²	229	141.3 Å²	141.3	90%	0.898	76%	0.764	S	S	*	*			trans	-28	120.7	132.1	-81.3	-101.7	0	0	0	112.4
273	N	47	Very low	42.5	Very low	131 Å²	131	139.6 Å²	139.6	70%	0.701	76%	0.758	S	S	*	*			trans	-126.5	104.1	153.1	-157.7	51.2	0	0	0	108	K271 D275	K271-N273 PolarHBondContact O-N 3.27Å; N273-D275 PolarHBondContact O-N 3.07Å
274	P	39.8	Very low	41.9	Very low	110 Å²	110	140.6 Å²	140.6	71%	0.714	76%	0.763	S	S	*	*			trans	-88.2	87.4	175.4	33.8	-25.7	0	0	0	108
275	D	37.9	Very low	41.1	Very low	119 Å²	119	141.1 Å²	141.1	64%	0.636	77%	0.766	S	S	*	*			trans	-140.5	106.7	169.1	-88.9	-38	0	0	0	108.2	N273	N273-D275 PolarHBondContact O-N 3.07Å
276	N	39.9	Very low	40.4	Very low	137 Å²	137	140.8 Å²	140.8	73%	0.733	76%	0.764	S	S	*	*			trans	53	89.4	153	-68.5	2.9	0	0	0	118.3	D278	N276-D278 VanDerWaalsContact C-N 3.29Å
277	V	42.4	Very low	40.1	Very low	144 Å²	144	141.7 Å²	141.7	87%	0.873	77%	0.77	S	S	*	*			trans	-91.7	71.2	149.3	-165.1	0	0	0	0	106.7
278	D	38.1	Very low	39.7	Very low	130 Å²	130	139.2 Å²	139.2	70%	0.695	77%	0.771	S	S	*	*			trans	-102.6	139.6	155.6	-93	-32.7	0	0	0	105.1	N276	N276-D278 VanDerWaalsContact C-N 3.29Å
279	D	38.3	Very low	39.4	Very low	156 Å²	156	142.2 Å²	142.2	83%	0.834	77%	0.768	S	S	*	*			trans	94.6	72.9	-176.7	-53.6	-24.2	0	0	0	116.5
280	V	42.6	Very low	39.3	Very low	129 Å²	129	144.3 Å²	144.3	78%	0.782	78%	0.775	S	S	*	*			trans	-133.3	99.8	135	-172.2	0	0	0	0	108.1	V282	V280-V282 HydrophobicContact CG1-CG2 4.5Å
281	D	38	Very low	39.3	Very low	139 Å²	139	144.3 Å²	144.3	74%	0.743	78%	0.775	S	S	*	*			trans	-63.7	118.2	172.3	-153.1	-1.2	0	0	0	109.8
282	V	44.4	Very low	39	Very low	122 Å²	122	141.2 Å²	141.2	74%	0.739	78%	0.776	S	S	*	*			trans	-124.1	82.7	166.6	-177.9	0	0	0	0	106.8	V280	V280-V282 HydrophobicContact CG1-CG2 4.5Å
283	V	41	Very low	38.9	Very low	104 Å²	104	136 Å²	136	63%	0.63	76%	0.762	S	S	*	*			trans	-69	121.2	160.5	178.6	0	0	0	0	107.6
284	N	40.1	Very low	38.7	Very low	158 Å²	158	135.9 Å²	135.9	85%	0.845	76%	0.76	S	S	*	*			trans	-141	65.4	163.7	-141.3	18.9	0	0	0	107.3
285	D	35.4	Very low	38.6	Very low	142 Å²	142	140.7 Å²	140.7	76%	0.759	77%	0.765	S	S	*	*			trans	-85.5	149.1	160	-85.8	-30.7	0	0	0	108.7
286	D	33.5	Very low	38.6	Very low	157 Å²	157	141 Å²	141	84%	0.84	77%	0.767	S	S	*	*			trans	80.4	77.8	177.8	-69.6	-24.3	0	0	0	119.2
287	V	41.7	Very low	38.5	Very low	142 Å²	142	142.1 Å²	142.1	86%	0.861	77%	0.773	S	S	*	*			trans	-141.2	104.7	131.7	-174.6	0	0	0	0	110.8	N289	V287-N289 PolarHBondContact O-N 3.34Å; V287-N289 VanDerWaalsContact O-N 3.16Å
288	N	34	Very low	38.7	Very low	159 Å²	159	141.3 Å²	141.3	85%	0.85	76%	0.764	S	S	*	*			trans	-38.6	111.3	155.4	-92.6	-47.4	0	0	0	112.4
289	N	34.6	Very low	39	Very low	145 Å²	145	142.7 Å²	142.7	78%	0.775	77%	0.77	S	S	*	*			trans	-158.3	108.1	144.2	-138.3	-4.2	0	0	0	112.4	V287 N291	V287-N289 PolarHBondContact O-N 3.34Å; V287-N289 VanDerWaalsContact O-N 3.16Å; N289-N291 PolarHBondContact O-N 3.36Å
290	N	35	Very low	39.4	Very low	156 Å²	156	144.7 Å²	144.7	83%	0.834	77%	0.772	S	S	*	*			trans	-52.3	107.2	165	-76.9	-37.5	0	0	0	110.5
291	N	38.5	Very low	39.7	Very low	136 Å²	136	144 Å²	144	73%	0.727	76%	0.764	S	S	*	*			trans	-156.5	79.9	154.9	-105.9	-12.8	0	0	0	110.8	N289 I293	N289-N291 PolarHBondContact O-N 3.36Å; N291-I293 VanDerWaalsContact C-N 3.32Å; N291-I293 PolarHBondContact O-N 3.1Å
292	C	36.5	Very low	39.9	Very low	121 Å²	121	143 Å²	143	82%	0.818	76%	0.758	S	S	*	*			trans	-61.8	97.6	152.3	-84.9	0	0	0	0	108.2	I294	C292-I294 VanDerWaalsContact C-N 3.28Å; C292-I294 HydrophobicContact CB-CG1 4.39Å; C292-I294 PolarHBondContact O-N 3.42Å; C292-I294 VanDerWaalsContact O-N 3.08Å
293	I	38.5	Very low	40	Very low	120 Å²	120	143 Å²	143	62%	0.615	76%	0.758	S	S	*	*			trans	-77.7	90.3	163.3	-59.3	179.2	0	0	0	106.6	N291 Y295	N291-I293 VanDerWaalsContact C-N 3.32Å; N291-I293 PolarHBondContact O-N 3.1Å; I293-Y295 HydrophobicContact CG2-CD2 3.91Å; I293-Y295 HydrophobicContact CG2-CE2 3.66Å; I293-Y295 PolarHBondContact O-N 3.37Å
294	I	43.2	Very low	40.4	Very low	128 Å²	128	144.2 Å²	144.2	66%	0.656	76%	0.761	S	S	*	*			trans	-73.9	107.8	164.1	-59.3	177.4	0	0	0	106.5	C292 D296	C292-I294 VanDerWaalsContact C-N 3.28Å; C292-I294 HydrophobicContact CB-CG1 4.39Å; C292-I294 PolarHBondContact O-N 3.42Å; C292-I294 VanDerWaalsContact O-N 3.08Å; I294-D296 HydrophobicContact CG2-CB 3.82Å; I294-D296 WeakPolarHBondContact CG2-OD2 2.96Å; I294-D296 PolarHBondContact O-N 3.09Å
295	Y	38.2	Very low	40.7	Very low	210 Å²	210	146.6 Å²	146.6	82%	0.824	76%	0.758	S	S	*	*			trans	-74.6	79.7	163.4	-77.5	-85.5	0	0	0	108.8	I293	I293-Y295 HydrophobicContact CG2-CD2 3.91Å; I293-Y295 HydrophobicContact CG2-CE2 3.66Å; I293-Y295 PolarHBondContact O-N 3.37Å
296	D	36.3	Very low	41.4	Very low	126 Å²	126	148.7 Å²	148.7	67%	0.674	76%	0.761	S	S	*	*			trans	-104.5	124.5	168.5	-100.8	-27.5	0	0	0	111.1	I294 N298	I294-D296 HydrophobicContact CG2-CB 3.82Å; I294-D296 WeakPolarHBondContact CG2-OD2 2.96Å; I294-D296 PolarHBondContact O-N 3.09Å; D296-N298 PolarHBondContact O-N 3.41Å
297	N	38.6	Very low	42.2	Very low	160 Å²	160	148.6 Å²	148.6	86%	0.856	76%	0.761	S	S	*	*			trans	-60	75.6	-175	-72.3	-64.5	0	0	0	114.3
298	N	46	Very low	42.1	Very low	127 Å²	127	145.9 Å²	145.9	68%	0.679	75%	0.753	S	S	*	*			trans	-119.7	29.9	176.4	-91.2	-28.8	0	0	0	115	D296 F300	D296-N298 PolarHBondContact O-N 3.41Å; N298-F300 PolarHBondContact O-N 3.26Å; N298-F300 VanDerWaalsContact O-N 3.16Å
299	L	46	Very low	42.9	Very low	159 Å²	159	149.4 Å²	149.4	83%	0.832	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	1.7	172.9	-158.1	64.7	0	0	0	113.9
300	F	46.3	Very low	43.3	Very low	199 Å²	199	149.7 Å²	149.7	87%	0.873	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	7.4	-178.9	-104.4	-85.5	0	0	0	115.9	N298	N298-F300 PolarHBondContact O-N 3.26Å; N298-F300 VanDerWaalsContact O-N 3.16Å
301	N	47.7	Very low	43.8	Very low	114 Å²	114	149.3 Å²	149.3	61%	0.61	77%	0.766	S	S	*	*	S	Bend	trans	-124	19.4	-174.3	-145.9	-2.2	0	0	0	116
302	L	43.1	Very low	44.1	Very low	118 Å²	118	150.1 Å²	150.1	62%	0.618	77%	0.768	S	S	*	*	S	Bend	trans	-97.4	-7.6	174.1	-91.4	152	0	0	0	114
303	T	45.7	Very low	44.5	Very low	122 Å²	122	151.8 Å²	151.8	75%	0.748	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-9.7	-178.6	-35.4	0	0	0	0	114
304	N	49.9	Very low	44.9	Very low	129 Å²	129	153.8 Å²	153.8	69%	0.69	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	5.3	-177.2	-97.6	-22.5	0	0	0	115.7
305	R	46.6	Very low	45	Very low	208 Å²	208	155.5 Å²	155.5	79%	0.785	78%	0.782	S	S	*	*	S	Bend	trans	-100	-2.8	178	-70.6	-174.6	74.7	-176.4	2.7	115.2
306	F	48.8	Very low	45.5	Very low	187 Å²	187	151.6 Å²	151.6	82%	0.82	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	7.4	177.4	-78.1	-79.4	0	0	0	114.8
307	N	50.1	Low	46.2	Very low	155 Å²	155	153.5 Å²	153.5	83%	0.829	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	16.4	177.1	-100.8	-12.8	0	0	0	114
308	A	40.8	Very low	46.8	Very low	85 Å²	85	153 Å²	153	70%	0.702	78%	0.782	S	S	*	*			trans	-143.1	56.5	-179.3	0	0	0	0	0	112.3
309	I	51	Low	46.9	Very low	233 Å²	233	155.4 Å²	155.4	100%	1.195	79%	0.791	S	S	*	*			trans	-143.5	0	155.1	-59.7	-176.6	0	0	0	106.1

Retrieved 309 of 309 residues in 103.4 ms (Link to these results)

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