A0A3Q0KBB2_SCHMA Loading...

Trematode Eggshell Synthesis domain containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KBB2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 220 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	67.4	Low	83.1	Confident	216 Å²	216	143.9 Å²	143.9	100%	1.064	67%	0.67	S	S	*	*				0	-32.9	0	-64.1	-178.3	-179.5	0	0	114	L3 I4	M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.39Å; M1-I4 PolarHBondContact O-N 3.39Å
2	K	79.4	Confident	82.7	Confident	183 Å²	183	138.8 Å²	138.8	80%	0.796	66%	0.656	S	S	*	*	H	α-helix	trans	-59.9	-31.5	179.6	-68.4	178.8	177.3	175.6	0	115.3	I5	K2-I5 PolarHBondContact O-N 3.21Å
3	L	87.4	Confident	82.1	Confident	136 Å²	136	134.2 Å²	134.2	71%	0.712	64%	0.643	S	S	*	*	H	α-helix	trans	-71.7	-30.1	-176.4	-151.2	144.5	0	0	0	113.2	M1 I5 W6 I7	M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.39Å; L3-I5 VanDerWaalsContact C-N 3.28Å; L3-I5 PolarHBondContact O-N 3.45Å; L3-W6 PolarHBondContact O-N 2.96Å; L3-I7 HydrophobicContact CD2-CD1 4Å
4	I	88.5	Confident	81.2	Confident	121 Å²	121	130.6 Å²	130.6	62%	0.621	63%	0.634	S	S	*	*	H	α-helix	trans	-65.2	-34	176.4	-119	88.6	0	0	0	111.5	M1 I7 F8	M1-I4 PolarHBondContact O-N 3.39Å; I4-I7 PolarHBondContact O-N 3.01Å; I4-F8 PolarHBondContact O-N 2.76Å
5	I	88.4	Confident	80.3	Confident	103 Å²	103	128.1 Å²	128.1	53%	0.528	63%	0.629	S	S	.	*	H	α-helix	trans	-68.3	-35.3	-179.3	-88.2	151.8	0	0	0	112	K2 L3 F8 F9	K2-I5 PolarHBondContact O-N 3.21Å; L3-I5 VanDerWaalsContact C-N 3.28Å; L3-I5 PolarHBondContact O-N 3.45Å; I5-F8 PolarHBondContact O-N 2.92Å; I5-F9 PolarHBondContact O-N 2.91Å
6	W	88.3	Confident	78.9	Confident	188 Å²	188	130.1 Å²	130.1	71%	0.712	63%	0.633	S	S	*	*	H	α-helix	trans	-69	-36.9	177.9	-82.6	86.7	0	0	0	113	L3 F8 F9 I10	L3-W6 PolarHBondContact O-N 2.96Å; W6-F8 VanDerWaalsContact C-N 3.31Å; W6-F8 PolarHBondContact O-N 3.25Å; W6-F9 PolarHBondContact O-N 2.81Å; W6-I10 PolarHBondContact O-N 2.85Å
7	I	87	Confident	77.5	Confident	94 Å²	94	128.3 Å²	128.3	48%	0.482	64%	0.637	S	S	.	*	H	α-helix	trans	-65.1	-38.5	177.1	-69.6	159.6	0	0	0	110.7	L3 I4 I10 F11	L3-I7 HydrophobicContact CD2-CD1 4Å; I4-I7 PolarHBondContact O-N 3.01Å; I7-I10 PolarHBondContact O-N 2.97Å; I7-F11 PolarHBondContact O-N 3.2Å
8	F	84.8	Confident	75.9	Confident	149 Å²	149	124.9 Å²	124.9	65%	0.654	64%	0.64	S	S	*	*	H	α-helix	trans	-63.9	-40	176.4	-115.3	-87.6	0	0	0	112.6	I4 I5 W6 F11 V12	I4-F8 PolarHBondContact O-N 2.76Å; I5-F8 PolarHBondContact O-N 2.92Å; W6-F8 VanDerWaalsContact C-N 3.31Å; W6-F8 PolarHBondContact O-N 3.25Å; F8-F11 PolarHBondContact O-N 3.48Å; F8-V12 WeakPolarHBondContact O-CG2 3.32Å; F8-V12 PolarHBondContact O-N 3.38Å
9	F	82.5	Confident	73.9	Confident	145 Å²	145	130.4 Å²	130.4	64%	0.636	65%	0.652	S	S	*	*	H	α-helix	trans	-62.7	-43	177.7	-105.8	-87.6	0	0	0	112.8	I5 W6 F11 V12 T13	I5-F9 PolarHBondContact O-N 2.91Å; W6-F9 PolarHBondContact O-N 2.81Å; F9-F11 VanDerWaalsContact C-N 3.31Å; F9-F11 PolarHBondContact O-N 3.03Å; F9-V12 PolarHBondContact O-N 3.47Å; F9-T13 WeakPolarHBondContact O-CG2 3.46Å; F9-T13 PolarHBondContact O-N 3.27Å; F9-T13 VanDerWaalsContact O-N 3.09Å; F9-T13 PolarHBondContact O-OG1 2.83Å
10	I	81.1	Confident	72.1	Confident	108 Å²	108	132.1 Å²	132.1	55%	0.554	66%	0.658	S	S	*	*	H	α-helix	trans	-60.3	-44.9	176.7	-67.4	161.2	0	0	0	109.9	W6 I7 T13 T14	W6-I10 PolarHBondContact O-N 2.85Å; I7-I10 PolarHBondContact O-N 2.97Å; I10-T13 PolarHBondContact O-N 3.05Å; I10-T13 PolarHBondContact O-OG1 3.38Å; I10-T14 WeakPolarHBondContact O-CG2 3.23Å; I10-T14 PolarHBondContact O-N 3.2Å; I10-T14 VanDerWaalsContact O-N 3.12Å; I10-T14 PolarHBondContact O-OG1 3.47Å
11	F	79.6	Confident	70.4	Confident	140 Å²	140	135 Å²	135	61%	0.614	67%	0.67	S	S	*	*	H	α-helix	trans	-63.4	-46.3	-179.6	-129.7	-93	0	0	0	112.7	I7 F8 F9 T13 T14 V15	I7-F11 PolarHBondContact O-N 3.2Å; F8-F11 PolarHBondContact O-N 3.48Å; F9-F11 VanDerWaalsContact C-N 3.31Å; F9-F11 PolarHBondContact O-N 3.03Å; F11-T13 VanDerWaalsContact C-N 3.34Å; F11-T13 PolarHBondContact O-N 3.33Å; F11-T14 PolarHBondContact O-N 2.96Å; F11-T14 PolarHBondContact O-OG1 2.79Å; F11-V15 HydrophobicContact CD1-CG2 4.08Å; F11-V15 HydrophobicContact CE1-CG2 4.36Å; F11-V15 WeakPolarHBondContact O-CG2 3.06Å; F11-V15 PolarHBondContact O-N 3.32Å
12	V	78.6	Confident	68.8	Low	83 Å²	83	129.2 Å²	129.2	50%	0.503	65%	0.65	S	S	.	*	H	α-helix	trans	-60.6	-43.5	178.9	173	0	0	0	0	111	F8 F9 T14 V15 F16	F8-V12 WeakPolarHBondContact O-CG2 3.32Å; F8-V12 PolarHBondContact O-N 3.38Å; F9-V12 PolarHBondContact O-N 3.47Å; V12-T14 PolarHBondContact O-N 2.91Å; V12-V15 PolarHBondContact O-N 2.86Å; V12-F16 WeakPolarHBondContact O-CB 3.49Å; V12-F16 PolarHBondContact O-N 3.23Å
13	T	74	Confident	66.6	Low	78 Å²	78	130.1 Å²	130.1	48%	0.479	65%	0.654	S	S	.	*	H	α-helix	trans	-63.8	-40.6	177.8	59.6	0	0	0	0	112.4	F9 I10 F11 S17	F9-T13 WeakPolarHBondContact O-CG2 3.46Å; F9-T13 PolarHBondContact O-N 3.27Å; F9-T13 VanDerWaalsContact O-N 3.09Å; F9-T13 PolarHBondContact O-OG1 2.83Å; I10-T13 PolarHBondContact O-N 3.05Å; I10-T13 PolarHBondContact O-OG1 3.38Å; F11-T13 VanDerWaalsContact C-N 3.34Å; F11-T13 PolarHBondContact O-N 3.33Å; T13-S17 VanDerWaalsContact O-CB 3.3Å; T13-S17 WeakPolarHBondContact O-CB 3.4Å; T13-S17 PolarHBondContact O-N 3.23Å; T13-S17 VanDerWaalsContact O-N 3.09Å; T13-S17 PolarHBondContact O-OG 2.98Å
14	T	69.6	Low	64.1	Low	85 Å²	85	129.1 Å²	129.1	52%	0.521	66%	0.659	S	S	.	*	H	α-helix	trans	-69.5	-36.1	179.4	53.5	0	0	0	0	113.7	I10 F11 V12	I10-T14 WeakPolarHBondContact O-CG2 3.23Å; I10-T14 PolarHBondContact O-N 3.2Å; I10-T14 VanDerWaalsContact O-N 3.12Å; I10-T14 PolarHBondContact O-OG1 3.47Å; F11-T14 PolarHBondContact O-N 2.96Å; F11-T14 PolarHBondContact O-OG1 2.79Å; V12-T14 PolarHBondContact O-N 2.91Å
15	V	68.7	Low	61.4	Low	92 Å²	92	132.8 Å²	132.8	56%	0.558	67%	0.671	S	S	*	*	H	α-helix	trans	-77.6	-38.1	-178.9	176.5	0	0	0	0	111.1	F11 V12 G18	F11-V15 HydrophobicContact CD1-CG2 4.08Å; F11-V15 HydrophobicContact CE1-CG2 4.36Å; F11-V15 WeakPolarHBondContact O-CG2 3.06Å; F11-V15 PolarHBondContact O-N 3.32Å; V12-V15 PolarHBondContact O-N 2.86Å; V15-G18 PolarHBondContact O-N 3.37Å
16	F	57.5	Low	58.6	Low	160 Å²	160	134.6 Å²	134.6	70%	0.702	68%	0.676	S	S	*	*	H	α-helix	trans	-74.6	-35.4	179.9	-132.5	-90.9	0	0	0	112.6	V12 G18 R19	V12-F16 WeakPolarHBondContact O-CB 3.49Å; V12-F16 PolarHBondContact O-N 3.23Å; F16-G18 PolarHBondContact O-N 2.99Å; F16-R19 PolarHBondContact O-N 2.82Å
17	S	54.8	Low	56.1	Low	100 Å²	100	134.8 Å²	134.8	70%	0.699	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-12.7	176.9	-48.4	0	0	0	0	113.5	T13	T13-S17 VanDerWaalsContact O-CB 3.3Å; T13-S17 WeakPolarHBondContact O-CB 3.4Å; T13-S17 PolarHBondContact O-N 3.23Å; T13-S17 VanDerWaalsContact O-N 3.09Å; T13-S17 PolarHBondContact O-OG 2.98Å
18	G	49.6	Very low	53.9	Low	67 Å²	67	137.6 Å²	137.6	69%	0.691	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	2.7	-178.5	0	0	0	0	0	115.2	V15 F16	V15-G18 PolarHBondContact O-N 3.37Å; F16-G18 PolarHBondContact O-N 2.99Å
19	R	36.4	Very low	51.5	Low	230 Å²	230	137.8 Å²	137.8	87%	0.868	70%	0.701	S	S	*	*	S	Bend	trans	-118.4	8.4	-170.1	-136.7	-178.9	-168.5	-178.8	3	116.8	F16	F16-R19 PolarHBondContact O-N 2.82Å
20	E	37.9	Very low	49.4	Very low	164 Å²	164	139.4 Å²	139.4	77%	0.766	71%	0.71	S	S	*	*	S	Bend	trans	-115.7	134.5	169.7	-67.7	-176	-179.5	0	0	109.7
21	E	37.5	Very low	47.4	Very low	194 Å²	194	140.5 Å²	140.5	91%	0.907	72%	0.717	S	S	*	*			trans	86.3	56.1	175	-53.3	-172.2	174.3	0	0	117.3
22	S	32.8	Very low	45.6	Very low	94 Å²	94	138.3 Å²	138.3	66%	0.657	72%	0.719	S	S	*	*			trans	-82.5	140.6	136.2	45.4	0	0	0	0	109.8
23	F	33.1	Very low	43.7	Very low	201 Å²	201	144.2 Å²	144.2	88%	0.882	73%	0.732	S	S	*	*			trans	91.7	87.2	166.2	-54.1	-77.4	0	0	0	119.6
24	S	35.1	Very low	42	Very low	115 Å²	115	148.8 Å²	148.8	80%	0.804	75%	0.746	S	S	*	*			trans	-151.4	94.9	131.2	-170.1	0	0	0	0	109.9
25	K	32.8	Very low	40.5	Very low	199 Å²	199	153.1 Å²	153.1	87%	0.865	76%	0.76	S	S	*	*				42.3	94.5	117.3	-97.5	179.3	174.3	176.9	0	113.3
26	H	28.8	Very low	39.2	Very low	140 Å²	140	155.7 Å²	155.7	65%	0.648	77%	0.766	S	S	*	*				64.2	117	80.4	-151	33.7	0	0	0	114.5
27	R	35.8	Very low	38.5	Very low	193 Å²	193	153.5 Å²	153.5	73%	0.728	77%	0.77	S	S	*	*			trans	69.3	110.6	155.8	-73.2	172.2	-167.2	-177	9.1	118
28	N	40	Very low	37.8	Very low	152 Å²	152	159 Å²	159	81%	0.813	78%	0.775	S	S	*	*				-173.5	136.2	90.7	-91.3	-29	0	0	0	111.8	E30	N28-E30 PolarHBondContact O-N 2.89Å
29	D	35.7	Very low	37	Very low	153 Å²	153	164.6 Å²	164.6	82%	0.818	78%	0.781	S	S	*	*			trans	-58.1	118.6	167.7	-66.1	-68	0	0	0	111.4
30	E	38.9	Very low	37.1	Very low	180 Å²	180	158.7 Å²	158.7	84%	0.841	78%	0.775	S	S	*	*			trans	-125.5	93.1	151.7	-82.2	-165.3	171.9	0	0	109.9	N28 S32	N28-E30 PolarHBondContact O-N 2.89Å; E30-S32 PolarHBondContact O-N 3.43Å
31	N	38.1	Very low	37.1	Very low	131 Å²	131	158.7 Å²	158.7	70%	0.701	78%	0.775	S	S	*	*			trans	-62.3	61.3	172.6	-133.6	-19.8	0	0	0	110.8	R33	N31-R33 VanDerWaalsContact C-N 3.33Å; N31-R33 PolarHBondContact O-N 3.19Å; N31-R33 VanDerWaalsContact O-N 3.09Å
32	S	42.8	Very low	36.9	Very low	94 Å²	94	154.7 Å²	154.7	66%	0.657	76%	0.764	S	S	*	*			trans	-86.4	78.8	174.6	63	0	0	0	0	110.4	E30 K34	E30-S32 PolarHBondContact O-N 3.43Å; S32-K34 PolarHBondContact O-N 3.06Å
33	R	37.9	Very low	37	Very low	206 Å²	206	158 Å²	158	78%	0.777	77%	0.769	S	S	*	*			trans	-63	76.4	164.7	-66.6	176.5	-180	171.8	-2	109.8	N31 H35	N31-R33 VanDerWaalsContact C-N 3.33Å; N31-R33 PolarHBondContact O-N 3.19Å; N31-R33 VanDerWaalsContact O-N 3.09Å; R33-H35 PolarHBondContact O-N 3.03Å
34	K	38.9	Very low	37.2	Very low	174 Å²	174	154.1 Å²	154.1	76%	0.757	76%	0.757	S	S	*	*			trans	-81.2	97.2	167.8	-84.3	-178.2	177.9	174.2	0	108.9	S32 H36	S32-K34 PolarHBondContact O-N 3.06Å; K34-H36 PolarHBondContact O-N 3.22Å
35	H	37.2	Very low	37.2	Very low	176 Å²	176	155.3 Å²	155.3	82%	0.815	76%	0.755	S	S	*	*			trans	-49.5	100.7	165.8	-100.4	-103.5	0	0	0	110.2	R33 S37	R33-H35 PolarHBondContact O-N 3.03Å; H35-S37 PolarHBondContact O-N 3.47Å
36	H	41.7	Very low	37.5	Very low	147 Å²	147	152.9 Å²	152.9	68%	0.681	75%	0.751	S	S	*	*			trans	-86.9	85.3	166.5	-83.1	-53	0	0	0	109.3	K34 R38	K34-H36 PolarHBondContact O-N 3.22Å; H36-R38 PolarHBondContact O-N 3.15Å; H36-R38 VanDerWaalsContact O-N 3.1Å
37	S	43	Very low	37.8	Very low	114 Å²	114	155.5 Å²	155.5	80%	0.797	77%	0.766	S	S	*	*			trans	-78.9	67.7	164.2	50.1	0	0	0	0	109.9	H35 K39	H35-S37 PolarHBondContact O-N 3.47Å; S37-K39 PolarHBondContact O-N 2.93Å
38	R	39	Very low	37.7	Very low	214 Å²	214	150.3 Å²	150.3	81%	0.808	76%	0.764	S	S	*	*			trans	-91	93.1	172.4	-85.6	-176.5	175.2	155.8	-2.2	110.5	H36	H36-R38 PolarHBondContact O-N 3.15Å; H36-R38 VanDerWaalsContact O-N 3.1Å
39	K	34.2	Very low	37.6	Very low	186 Å²	186	151.8 Å²	151.8	81%	0.809	77%	0.766	S	S	*	*				44.2	104.5	129.2	-145.6	171.2	-174.8	-179.7	0	115.9	S37 Q41	S37-K39 PolarHBondContact O-N 2.93Å; K39-Q41 PolarHBondContact O-N 3.27Å; K39-Q41 VanDerWaalsContact O-N 3.15Å
40	S	38.2	Very low	37.7	Very low	106 Å²	106	154.1 Å²	154.1	74%	0.741	77%	0.769	S	S	*	*			trans	-50.9	107.8	159.8	51.2	0	0	0	0	110.9
41	Q	37.7	Very low	37.3	Very low	164 Å²	164	148.8 Å²	148.8	77%	0.766	76%	0.762	S	S	*	*			trans	-93.6	95.9	157.3	-81.9	-175.7	-71.9	0	0	107.4	K39 E43	K39-Q41 PolarHBondContact O-N 3.27Å; K39-Q41 VanDerWaalsContact O-N 3.15Å; Q41-E43 VanDerWaalsContact C-N 3.26Å; Q41-E43 PolarHBondContact O-N 3Å; Q41-E43 VanDerWaalsContact O-N 3.11Å
42	T	32.5	Very low	37	Very low	110 Å²	110	148.7 Å²	148.7	68%	0.675	77%	0.767	S	S	*	*			trans	-71.2	82.8	166.4	-15.7	0	0	0	0	107	N44	T42-N44 PolarHBondContact O-N 3.5Å
43	E	36.2	Very low	36.4	Very low	164 Å²	164	148.7 Å²	148.7	77%	0.766	76%	0.759	S	S	*	*			trans	-91.4	91.2	165.1	-79.8	177.4	-172	0	0	107.5	Q41	Q41-E43 VanDerWaalsContact C-N 3.26Å; Q41-E43 PolarHBondContact O-N 3Å; Q41-E43 VanDerWaalsContact O-N 3.11Å
44	N	36.4	Very low	36	Very low	118 Å²	118	148.5 Å²	148.5	63%	0.631	76%	0.759	S	S	*	*			trans	-61.4	159.6	158.6	-66.1	-42.5	0	0	0	109.5	T42	T42-N44 PolarHBondContact O-N 3.5Å
45	N	35.9	Very low	35.7	Very low	141 Å²	141	147.2 Å²	147.2	75%	0.754	76%	0.76	S	S	*	*			trans	84.6	115.8	171.4	-36.9	-34.3	0	0	0	110.8
46	D	39.6	Very low	35.7	Very low	148 Å²	148	145.3 Å²	145.3	79%	0.791	76%	0.761	S	S	*	*			cis	-144.9	113.2	49.1	-64.3	-46.5	0	0	0	111.4	A48	D46-A48 PolarHBondContact O-N 3.28Å
47	M	33.6	Very low	35.3	Very low	195 Å²	195	147.7 Å²	147.7	96%	0.961	77%	0.769	S	S	*	*			trans	-69	80.7	157.8	-79.8	-85	-178.8	0	0	107.8	E49	M47-E49 VanDerWaalsContact C-N 3.33Å; M47-E49 PolarHBondContact O-N 2.7Å; M47-E49 VanDerWaalsContact O-N 3.15Å
48	A	35.2	Very low	34.8	Very low	83 Å²	83	148.5 Å²	148.5	69%	0.686	77%	0.765	S	S	*	*			trans	-82.7	87.9	168.3	0	0	0	0	0	109.1	D46 F50	D46-A48 PolarHBondContact O-N 3.28Å; A48-F50 PolarHBondContact O-N 3.14Å
49	E	36.3	Very low	34.6	Very low	183 Å²	183	144.9 Å²	144.9	86%	0.855	76%	0.761	S	S	*	*			trans	-35.1	105.9	157.6	-171.4	177.1	-160.7	0	0	112.5	M47	M47-E49 VanDerWaalsContact C-N 3.33Å; M47-E49 PolarHBondContact O-N 2.7Å; M47-E49 VanDerWaalsContact O-N 3.15Å
50	F	38.1	Very low	34.4	Very low	203 Å²	203	142.9 Å²	142.9	89%	0.89	76%	0.757	S	S	*	*			trans	-125.3	92.7	157.3	-98.5	-82.1	0	0	0	109.3	A48	A48-F50 PolarHBondContact O-N 3.14Å
51	G	30.4	Very low	34.2	Very low	67 Å²	67	144 Å²	144	69%	0.691	75%	0.754	S	S	*	*				60.6	87.9	127.6	0	0	0	0	0	116.8
52	T	31.6	Very low	33.9	Very low	129 Å²	129	143 Å²	143	79%	0.791	75%	0.754	S	S	*	*			trans	-55.1	137.2	144	46.6	0	0	0	0	110.3
53	N	30.5	Very low	33.7	Very low	94 Å²	94	145 Å²	145	50%	0.503	76%	0.761	S	S	.	*				176	120.8	128.5	-91.7	-2.7	0	0	0	114.6
54	W	30.4	Very low	33.5	Very low	203 Å²	203	146.5 Å²	146.5	77%	0.769	77%	0.765	S	S	*	*				54.6	111.2	128.9	-42.2	-29.7	0	0	0	118.9
55	N	32.4	Very low	33.1	Very low	146 Å²	146	149.6 Å²	149.6	78%	0.781	78%	0.776	S	S	*	*				167.9	112.5	93	-89.3	-49.6	0	0	0	110.4	K57	N55-K57 VanDerWaalsContact C-N 3.34Å; N55-K57 PolarHBondContact O-N 3.04Å
56	V	36.4	Very low	32.9	Very low	137 Å²	137	146.2 Å²	146.2	83%	0.83	76%	0.763	S	S	*	*			trans	-68.5	93.7	162.1	176.2	0	0	0	0	106.7
57	K	34.4	Very low	32.5	Very low	197 Å²	197	143.8 Å²	143.8	86%	0.857	76%	0.764	S	S	*	*			trans	-100.3	101.7	168.3	-152.1	175.7	-178.9	-176.9	0	107.9	N55 N59	N55-K57 VanDerWaalsContact C-N 3.34Å; N55-K57 PolarHBondContact O-N 3.04Å; K57-N59 PolarHBondContact O-N 3.17Å
58	N	32.3	Very low	32.4	Very low	131 Å²	131	143.9 Å²	143.9	70%	0.701	76%	0.759	S	S	*	*			trans	-51.3	122.7	162.3	-62.1	-35.4	0	0	0	109.3
59	N	34.7	Very low	32.2	Very low	138 Å²	138	143.4 Å²	143.4	74%	0.738	76%	0.762	S	S	*	*			trans	178.7	125.7	131.6	-104.3	9.4	0	0	0	111.5	K57	K57-N59 PolarHBondContact O-N 3.17Å
60	M	30.5	Very low	32	Very low	144 Å²	144	141 Å²	141	71%	0.709	77%	0.765	S	S	*	*			trans	49.3	109.8	133.3	-73.1	154.9	70.5	0	0	118.3
61	D	33.7	Very low	31.8	Very low	129 Å²	129	134.1 Å²	134.1	69%	0.69	75%	0.752	S	S	*	*				54.7	119.1	119	-53.1	-33.4	0	0	0	117.9
62	N	31.5	Very low	32	Very low	143 Å²	143	142.7 Å²	142.7	77%	0.765	76%	0.763	S	S	*	*			trans	79.5	85.9	166.5	-40.6	-40.3	0	0	0	112.9
63	D	28.3	Very low	32.6	Very low	152 Å²	152	141.4 Å²	141.4	81%	0.813	76%	0.76	S	S	*	*				-170.2	130.1	103.7	-87.4	-25	0	0	0	110.8	E65	D63-E65 PolarHBondContact O-N 3Å
64	F	31.9	Very low	32.9	Very low	195 Å²	195	143.7 Å²	143.7	86%	0.855	77%	0.77	S	S	*	*			trans	-72.2	74	175.8	-169.7	-95.2	0	0	0	108.2	S66	F64-S66 VanDerWaalsContact C-N 3.33Å; F64-S66 PolarHBondContact O-N 3.44Å
65	E	27.9	Very low	33.7	Very low	184 Å²	184	137.5 Å²	137.5	86%	0.86	76%	0.758	S	S	*	*			trans	-76.2	87.2	172.2	-87.8	-165	152.5	0	0	109.9	D63 A67	D63-E65 PolarHBondContact O-N 3Å; E65-A67 PolarHBondContact O-N 3.46Å; E65-A67 VanDerWaalsContact O-N 3.14Å
66	S	32.1	Very low	34.1	Very low	70 Å²	70	139.7 Å²	139.7	49%	0.49	76%	0.761	S	S	.	*			trans	-75.2	93	162.3	63.6	0	0	0	0	108.7	F64 F68	F64-S66 VanDerWaalsContact C-N 3.33Å; F64-S66 PolarHBondContact O-N 3.44Å; S66-F68 PolarHBondContact O-N 2.88Å
67	A	29.9	Very low	34.4	Very low	97 Å²	97	142.5 Å²	142.5	80%	0.802	76%	0.757	S	S	*	*			trans	-71.1	113.8	171.4	0	0	0	0	0	110.2	E65 G69	E65-A67 PolarHBondContact O-N 3.46Å; E65-A67 VanDerWaalsContact O-N 3.14Å; A67-G69 VanDerWaalsContact C-N 3.32Å; A67-G69 PolarHBondContact O-N 3.4Å
68	F	31.9	Very low	34.9	Very low	196 Å²	196	142.2 Å²	142.2	86%	0.86	76%	0.756	S	S	*	*			trans	-77.3	81.4	170.3	-73.3	-92.1	0	0	0	109.5	S66 S70	S66-F68 PolarHBondContact O-N 2.88Å; F68-S70 PolarHBondContact O-N 3.48Å; F68-S70 VanDerWaalsContact O-N 3.13Å
69	G	31.9	Very low	35.7	Very low	73 Å²	73	144.5 Å²	144.5	75%	0.753	76%	0.763	S	S	*	*			trans	-71.7	102	173.9	0	0	0	0	0	111.5	A67 G71	A67-G69 VanDerWaalsContact C-N 3.32Å; A67-G69 PolarHBondContact O-N 3.4Å; G69-G71 PolarHBondContact O-N 2.96Å
70	S	32	Very low	36.2	Very low	133 Å²	133	145.4 Å²	145.4	93%	0.93	77%	0.766	S	S	*	*			trans	-76.4	60.5	167.4	71.5	0	0	0	0	110.8	F68	F68-S70 PolarHBondContact O-N 3.48Å; F68-S70 VanDerWaalsContact O-N 3.13Å
71	G	32.4	Very low	37	Very low	58 Å²	58	147.6 Å²	147.6	60%	0.598	77%	0.771	S	S	*	*			trans	-111.1	121.1	176.3	0	0	0	0	0	109.6	G69 S73	G69-G71 PolarHBondContact O-N 2.96Å; G71-S73 PolarHBondContact O-N 3.32Å
72	R	34.6	Very low	37.8	Very low	248 Å²	248	146.3 Å²	146.3	94%	0.936	78%	0.778	S	S	*	*			trans	-64.3	81.5	164.7	-72.1	177.6	177.4	178.2	-0.8	108	I74	R72-I74 PolarHBondContact O-N 3.37Å
73	S	44.9	Very low	38.5	Very low	102 Å²	102	149.3 Å²	149.3	71%	0.713	78%	0.779	S	S	*	*			trans	-68.8	96.9	173.6	173.8	0	0	0	0	107.8	G71 S75	G71-S73 PolarHBondContact O-N 3.32Å; S73-S75 PolarHBondContact O-N 3.03Å
74	I	37.7	Very low	39.4	Very low	141 Å²	141	146.5 Å²	146.5	72%	0.723	78%	0.777	S	S	*	*			trans	-75.3	69.5	171.3	-50	174.3	0	0	0	106.7	R72 K76	R72-I74 PolarHBondContact O-N 3.37Å; I74-K76 HydrophobicContact CG2-CG 4.31Å; I74-K76 PolarHBondContact O-N 2.96Å
75	S	46.8	Very low	40.1	Very low	74 Å²	74	146.7 Å²	146.7	52%	0.517	77%	0.773	S	S	.	*			trans	-72.9	103.9	176.8	74	0	0	0	0	108.2	S73 Y77	S73-S75 PolarHBondContact O-N 3.03Å; S75-Y77 PolarHBondContact O-N 3.42Å
76	K	40.1	Very low	40.8	Very low	192 Å²	192	145 Å²	145	84%	0.835	77%	0.77	S	S	*	*			trans	-78.3	43.5	179.3	-64.1	-176.6	-178.5	176.4	0	111.6	I74 K78	I74-K76 HydrophobicContact CG2-CG 4.31Å; I74-K76 PolarHBondContact O-N 2.96Å; K76-K78 PolarHBondContact O-N 2.98Å; K76-K78 VanDerWaalsContact O-N 3.16Å
77	Y	43.7	Very low	41.4	Very low	195 Å²	195	145.3 Å²	145.3	77%	0.765	78%	0.777	S	S	*	*			trans	-75.3	110.1	177.9	-72.7	-73.6	0	0	0	109.7	S75 H79	S75-Y77 PolarHBondContact O-N 3.42Å; Y77-H79 PolarHBondContact O-N 3.12Å; Y77-H79 VanDerWaalsContact O-N 3.13Å
78	K	45	Very low	42	Very low	191 Å²	191	150.8 Å²	150.8	83%	0.83	78%	0.782	S	S	*	*			trans	-65.5	108.7	172.4	-173.6	177.8	-177.7	179.2	0	108.4	K76 I80	K76-K78 PolarHBondContact O-N 2.98Å; K76-K78 VanDerWaalsContact O-N 3.16Å; K78-I80 PolarHBondContact O-N 3.44Å
79	H	48.1	Very low	42.6	Very low	180 Å²	180	143.4 Å²	143.4	83%	0.833	76%	0.762	S	S	*	*			trans	-59.8	110.1	171.2	-79.1	-86.2	0	0	0	109.6	Y77 K81	Y77-H79 PolarHBondContact O-N 3.12Å; Y77-H79 VanDerWaalsContact O-N 3.13Å; H79-K81 PolarHBondContact O-N 3.45Å
80	I	44.8	Very low	43.2	Very low	157 Å²	157	150 Å²	150	81%	0.805	77%	0.77	S	S	*	*			trans	-79.9	108.5	166.8	-58.4	175.5	0	0	0	105.8	K78 A82	K78-I80 PolarHBondContact O-N 3.44Å; I80-A82 PolarHBondContact O-N 3.47Å
81	K	48.2	Very low	44.1	Very low	190 Å²	190	152 Å²	152	83%	0.826	76%	0.762	S	S	*	*			trans	-61.1	125.2	171.8	-66	-176	179.6	-177.3	0	107.8	H79 R83	H79-K81 PolarHBondContact O-N 3.45Å; K81-R83 PolarHBondContact O-N 3.04Å
82	A	50.9	Low	44.8	Very low	101 Å²	101	157.3 Å²	157.3	84%	0.835	77%	0.771	S	S	*	*			trans	-54	114.8	174.1	0	0	0	0	0	108.3	I80 A84	I80-A82 PolarHBondContact O-N 3.47Å; A82-A84 PolarHBondContact O-N 3.13Å
83	R	45.2	Very low	45.2	Very low	206 Å²	206	151.2 Å²	151.2	78%	0.777	77%	0.767	S	S	*	*			trans	-67.8	120.1	170.5	-76.7	-176.6	172.9	-175.4	-2.4	106.3	K81 Y85	K81-R83 PolarHBondContact O-N 3.04Å; R83-Y85 HydrophobicContact CB-CE2 4.32Å; R83-Y85 WeakPolarHBondContact O-CD2 3.31Å; R83-Y85 WeakPolarHBondContact O-CE2 3.17Å; R83-Y85 PolarHBondContact O-N 2.66Å; R83-Y85 VanDerWaalsContact O-N 3.09Å
84	A	46.8	Very low	45.3	Very low	93 Å²	93	157.1 Å²	157.1	77%	0.769	77%	0.773	S	S	*	*			trans	-61.7	112.2	170.1	0	0	0	0	0	107.6	A82	A82-A84 PolarHBondContact O-N 3.13Å
85	Y	46.8	Very low	45.3	Very low	199 Å²	199	153.2 Å²	153.2	78%	0.78	77%	0.768	S	S	*	*			trans	-87.4	108	172.5	-69.4	-86.4	0	0	0	107.4	R83 A87	R83-Y85 HydrophobicContact CB-CE2 4.32Å; R83-Y85 WeakPolarHBondContact O-CD2 3.31Å; R83-Y85 WeakPolarHBondContact O-CE2 3.17Å; R83-Y85 PolarHBondContact O-N 2.66Å; R83-Y85 VanDerWaalsContact O-N 3.09Å; Y85-A87 PolarHBondContact O-N 2.79Å
86	D	43.1	Very low	45	Very low	150 Å²	150	156.7 Å²	156.7	80%	0.802	79%	0.786	S	S	*	*			trans	-70.9	78	170.6	-74.2	-23.9	0	0	0	109.4	K88	D86-K88 PolarHBondContact O-N 3.41Å
87	A	45.8	Very low	45	Very low	75 Å²	75	159.1 Å²	159.1	62%	0.62	79%	0.79	S	S	*	*			trans	-77.4	88.3	178.4	0	0	0	0	0	110.4	Y85 G89	Y85-A87 PolarHBondContact O-N 2.79Å; A87-G89 VanDerWaalsContact C-N 3.33Å; A87-G89 PolarHBondContact O-N 3.21Å
88	K	42.1	Very low	44.9	Very low	212 Å²	212	153.1 Å²	153.1	92%	0.922	79%	0.787	S	S	*	*			trans	-76	81.9	167.1	-68.7	-176.8	-178.9	178.1	0	109.7	D86	D86-K88 PolarHBondContact O-N 3.41Å
89	G	43.4	Very low	44.8	Very low	41 Å²	41	153.9 Å²	153.9	42%	0.423	79%	0.786	S	S	.	*			trans	-124	132.5	176.8	0	0	0	0	0	112.1	A87 F91	A87-G89 VanDerWaalsContact C-N 3.33Å; A87-G89 PolarHBondContact O-N 3.21Å; G89-F91 VanDerWaalsContact O-CD2 3.23Å; G89-F91 WeakPolarHBondContact O-CD2 3.37Å; G89-F91 WeakPolarHBondContact O-CE2 3.07Å; G89-F91 PolarHBondContact O-N 2.9Å; G89-F91 VanDerWaalsContact O-N 3.11Å
90	K	44.5	Very low	44.6	Very low	213 Å²	213	148.1 Å²	148.1	93%	0.926	78%	0.775	S	S	*	*			trans	-74.5	94.4	165.7	-69.4	-177.3	-179.8	-179.2	0	107.6	Q92	K90-Q92 PolarHBondContact O-N 2.85Å; K90-Q92 VanDerWaalsContact O-N 3.11Å
91	F	51	Low	44.1	Very low	174 Å²	174	146.2 Å²	146.2	76%	0.763	77%	0.765	S	S	*	*			trans	-68.6	107.3	178.4	-60.9	-81.1	0	0	0	109.9	G89 S93	G89-F91 VanDerWaalsContact O-CD2 3.23Å; G89-F91 WeakPolarHBondContact O-CD2 3.37Å; G89-F91 WeakPolarHBondContact O-CE2 3.07Å; G89-F91 PolarHBondContact O-N 2.9Å; G89-F91 VanDerWaalsContact O-N 3.11Å; F91-S93 PolarHBondContact O-N 3.38Å
92	Q	47	Very low	43.7	Very low	170 Å²	170	141.5 Å²	141.5	79%	0.794	75%	0.752	S	S	*	*			trans	-79.9	100	161.1	-68.2	-174.3	25.1	0	0	106.8	K90 R94	K90-Q92 PolarHBondContact O-N 2.85Å; K90-Q92 VanDerWaalsContact O-N 3.11Å; Q92-R94 PolarHBondContact O-N 3.11Å
93	S	43.3	Very low	42.9	Very low	120 Å²	120	141.1 Å²	141.1	84%	0.839	74%	0.742	S	S	*	*			trans	-66	99.1	-179.9	64.2	0	0	0	0	110	F91	F91-S93 PolarHBondContact O-N 3.38Å
94	R	46.5	Very low	42.5	Very low	226 Å²	226	134.8 Å²	134.8	85%	0.853	73%	0.73	S	S	*	*			trans	-93.8	108.6	156.6	-65.8	-173.5	177.5	-164.2	-1.2	106.1	Q92	Q92-R94 PolarHBondContact O-N 3.11Å
95	G	38	Very low	42.4	Very low	59 Å²	59	140.1 Å²	140.1	61%	0.608	74%	0.739	S	S	*	*	S	Bend	trans	35.5	105.7	163.4	0	0	0	0	0	118	R97	G95-R97 PolarHBondContact O-N 3.23Å
96	T	40.5	Very low	42.4	Very low	146 Å²	146	136 Å²	136	90%	0.896	74%	0.739	S	S	*	*	S	Bend	trans	53.3	63	146	62.8	0	0	0	0	117.5
97	R	41.4	Very low	42.1	Very low	244 Å²	244	131.1 Å²	131.1	92%	0.921	72%	0.717	S	S	*	*			trans	-144.3	117.8	157.3	-78.1	-166.7	174.3	-179.1	-2.1	111.8	G95	G95-R97 PolarHBondContact O-N 3.23Å
98	G	40.6	Very low	41.7	Very low	69 Å²	69	135.2 Å²	135.2	71%	0.711	72%	0.723	S	S	*	*			trans	76.8	118	167.7	0	0	0	0	0	113.5	G100	G98-G100 PolarHBondContact O-N 3.14Å
99	Y	43.3	Very low	41.7	Very low	207 Å²	207	129.9 Å²	129.9	81%	0.812	70%	0.7	S	S	*	*			trans	-67.6	85.3	172.2	-66.8	-86.8	0	0	0	109.1
100	G	42.6	Very low	41.9	Very low	58 Å²	58	134 Å²	134	60%	0.598	71%	0.712	S	S	*	*			trans	-58.4	141.9	157.2	0	0	0	0	0	108.7	G98 V102	G98-G100 PolarHBondContact O-N 3.14Å; G100-V102 PolarHBondContact O-N 3.36Å; G100-V102 VanDerWaalsContact O-N 3.12Å
101	M	35.7	Very low	42.4	Very low	118 Å²	118	128.2 Å²	128.2	58%	0.581	69%	0.69	S	S	*	*			trans	-17.3	106.8	178.1	-67.2	167	64.2	0	0	113.7	S103	M101-S103 VanDerWaalsContact C-N 3.32Å; M101-S103 PolarHBondContact O-N 2.89Å
102	V	38.8	Very low	42.6	Very low	91 Å²	91	126.6 Å²	126.6	55%	0.552	69%	0.685	S	S	*	*			trans	-78.3	91.8	172.2	-149.7	0	0	0	0	106.3	G100 S104	G100-V102 PolarHBondContact O-N 3.36Å; G100-V102 VanDerWaalsContact O-N 3.12Å; V102-S104 VanDerWaalsContact C-N 3.31Å; V102-S104 PolarHBondContact O-N 2.94Å
103	S	33.7	Very low	43.3	Very low	92 Å²	92	124.3 Å²	124.3	64%	0.643	67%	0.674	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.4	91.9	168.7	48.2	0	0	0	0	107.9	M101	M101-S103 VanDerWaalsContact C-N 3.32Å; M101-S103 PolarHBondContact O-N 2.89Å
104	S	38.5	Very low	44.4	Very low	73 Å²	73	122.2 Å²	122.2	51%	0.51	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.1	141.7	156.6	-173.8	0	0	0	0	106.6	V102 S106 S107	V102-S104 VanDerWaalsContact C-N 3.31Å; V102-S104 PolarHBondContact O-N 2.94Å; S104-S106 PolarHBondContact O-N 2.74Å; S104-S107 PolarHBondContact N-O 3.18Å; S104-S107 PolarHBondContact O-N 3.12Å
105	E	43.9	Very low	45.8	Very low	206 Å²	206	116.1 Å²	116.1	96%	0.963	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.3	-17.1	-173.4	-160.9	174.3	-174.8	0	0	114.8
106	S	46.9	Very low	47.4	Very low	113 Å²	113	116.8 Å²	116.8	79%	0.79	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.9	6	176.7	56.7	0	0	0	0	115.7	S104	S104-S106 PolarHBondContact O-N 2.74Å
107	S	36.7	Very low	49.3	Very low	47 Å²	47	117.8 Å²	117.8	33%	0.329	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-158.1	122.1	-179.9	-121.5	0	0	0	0	113.9	S104 F109	S104-S107 PolarHBondContact N-O 3.18Å; S104-S107 PolarHBondContact O-N 3.12Å; S107-F109 VanDerWaalsContact CB-CZ 3.49Å; S107-F109 VanDerWaalsContact OG-CZ 3.27Å; S107-F109 WeakPolarHBondContact OG-CZ 3.49Å
108	Q	37.9	Very low	51.3	Low	160 Å²	160	113.5 Å²	113.5	75%	0.748	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.5	110.8	167.2	-63.5	178.1	-2.9	0	0	107.9
109	F	41	Very low	52.6	Low	101 Å²	101	112.4 Å²	112.4	44%	0.443	60%	0.596	S	S	.	*			trans	-104.7	120.6	170.5	-60.2	-71.2	0	0	0	109.4	S107 I111 F128	S107-F109 VanDerWaalsContact CB-CZ 3.49Å; S107-F109 VanDerWaalsContact OG-CZ 3.27Å; S107-F109 WeakPolarHBondContact OG-CZ 3.49Å; F109-I111 PolarHBondContact O-N 2.95Å; F109-F128 HydrophobicContact CE2-CZ 4.39Å; F109-F128 HydrophobicContact CZ-CE1 4.5Å; F109-F128 HydrophobicContact CZ-CZ 4.38Å
110	L	49.1	Very low	54.2	Low	128 Å²	128	111.1 Å²	111.1	67%	0.67	59%	0.589	S	S	*	*			trans	-78.4	112.3	168.1	-173.6	70	0	0	0	108	E112	L110-E112 HydrophobicContact CD2-CG 3.85Å; L110-E112 HydrophobicContact CG-CG 4.1Å; L110-E112 PolarHBondContact O-N 2.93Å
111	I	53.3	Low	55.4	Low	91 Å²	91	112.4 Å²	112.4	47%	0.467	59%	0.587	S	S	.	*			trans	-83.4	89.8	172.1	-55.6	174	0	0	0	106.4	F109 E113 I124	F109-I111 PolarHBondContact O-N 2.95Å; I111-E113 PolarHBondContact O-N 3.14Å; I111-I124 HydrophobicContact CG2-CD1 4.22Å
112	E	57	Low	57	Low	139 Å²	139	112.8 Å²	112.8	65%	0.65	59%	0.586	S	S	*	*			trans	-68.7	109.5	172.7	-68.2	-176.6	178.3	0	0	109.3	L110 T114 I124	L110-E112 HydrophobicContact CD2-CG 3.85Å; L110-E112 HydrophobicContact CG-CG 4.1Å; L110-E112 PolarHBondContact O-N 2.93Å; E112-T114 PolarHBondContact O-N 3.47Å; E112-I124 WeakPolarHBondContact O-CD1 3.23Å
113	E	60.7	Low	58.2	Low	123 Å²	123	113.9 Å²	113.9	58%	0.575	60%	0.595	S	S	*	*			trans	-65.9	96.9	172.5	-66.5	-173	174.1	0	0	109.5	I111 L115	I111-E113 PolarHBondContact O-N 3.14Å; E113-L115 HydrophobicContact CB-CD2 4.33Å; E113-L115 PolarHBondContact O-N 2.97Å; E113-L115 VanDerWaalsContact O-N 3.11Å
114	T	67.3	Low	59.6	Low	75 Å²	75	113.9 Å²	113.9	46%	0.46	59%	0.586	S	S	.	*			trans	-65.2	113.9	165.4	54.5	0	0	0	0	107.7	E112 K122	E112-T114 PolarHBondContact O-N 3.47Å; T114-K122 WeakPolarHBondContact O-CA 3.36Å; T114-K122 WeakPolarHBondContact O-CB 2.97Å; T114-K122 PolarHBondContact O-N 3.11Å
115	L	75.3	Confident	60.7	Low	99 Å²	99	119.5 Å²	119.5	52%	0.518	60%	0.602	S	S	.	*	B	Isolated β-bridge	trans	-83.3	145.2	177.3	-57.8	179.4	0	0	0	110.6	E113 R120 P121	E113-L115 HydrophobicContact CB-CD2 4.33Å; E113-L115 PolarHBondContact O-N 2.97Å; E113-L115 VanDerWaalsContact O-N 3.11Å; L115-R120 WeakPolarHBondContact CA-O 3.27Å; L115-P121 HydrophobicContact CD2-CG 4.45Å
116	D	72.1	Confident	61.1	Low	73 Å²	73	113.5 Å²	113.5	39%	0.39	58%	0.582	S	S	.	*			trans	-72.7	172.3	167.3	-170.8	23.4	0	0	0	111	Y118 G119 R120	D116-Y118 PolarHBondContact O-N 2.83Å; D116-G119 PolarHBondContact O-N 2.93Å; D116-R120 PolarHBondContact N-O 2.86Å
117	K	79.3	Confident	61.5	Low	167 Å²	167	117.7 Å²	117.7	73%	0.726	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	-18.4	176	65.5	-175.2	176.6	171.7	0	114.5
118	Y	83.2	Confident	62.3	Low	153 Å²	153	122.2 Å²	122.2	60%	0.6	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	9	176.3	-55.1	-67.9	0	0	0	114.2	D116 R120	D116-Y118 PolarHBondContact O-N 2.83Å; Y118-R120 PolarHBondContact O-N 2.91Å
119	G	69	Low	62.9	Low	47 Å²	47	123.8 Å²	123.8	49%	0.485	61%	0.605	S	S	.	*	S	Bend	trans	71.2	12.4	-178	0	0	0	0	0	114.4	D116	D116-G119 PolarHBondContact O-N 2.93Å
120	R	75.3	Confident	63.4	Low	179 Å²	179	125 Å²	125	68%	0.675	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-85	141.5	177.4	-62.2	-178.9	-175	-179.8	1.1	110.1	L115 D116 Y118 K122	L115-R120 WeakPolarHBondContact CA-O 3.27Å; D116-R120 PolarHBondContact N-O 2.86Å; Y118-R120 PolarHBondContact O-N 2.91Å; R120-K122 PolarHBondContact O-N 2.9Å; R120-K122 VanDerWaalsContact O-N 3.14Å
121	P	69.5	Low	63.6	Low	85 Å²	85	130.6 Å²	130.6	55%	0.552	63%	0.633	S	S	*	*	B	Isolated β-bridge	trans	-58.3	117.8	174.6	-20.7	31.2	0	0	0	110.2	L115	L115-P121 HydrophobicContact CD2-CG 4.45Å
122	K	67.9	Low	63.4	Low	127 Å²	127	128.9 Å²	128.9	55%	0.552	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-82.3	126.2	173	-167.7	174.5	-177.8	170.8	0	107.6	T114 R120 I124	T114-K122 WeakPolarHBondContact O-CA 3.36Å; T114-K122 WeakPolarHBondContact O-CB 2.97Å; T114-K122 PolarHBondContact O-N 3.11Å; R120-K122 PolarHBondContact O-N 2.9Å; R120-K122 VanDerWaalsContact O-N 3.14Å; K122-I124 PolarHBondContact O-N 3.18Å
123	P	65.5	Low	63.1	Low	114 Å²	114	132.1 Å²	132.1	74%	0.74	65%	0.65	S	S	*	*			trans	-60.1	113.2	174.9	23.3	-31.2	0	0	0	108.6	K125	P123-K125 PolarHBondContact O-N 3.38Å
124	I	61.9	Low	62.7	Low	92 Å²	92	135.7 Å²	135.7	47%	0.472	66%	0.664	S	S	.	*			trans	-68.3	116.4	171.7	-55.6	167.9	0	0	0	105.6	I111 E112 K122 S126	I111-I124 HydrophobicContact CG2-CD1 4.22Å; E112-I124 WeakPolarHBondContact O-CD1 3.23Å; K122-I124 PolarHBondContact O-N 3.18Å; I124-S126 PolarHBondContact O-N 3.27Å
125	K	62.5	Low	61.8	Low	191 Å²	191	141.5 Å²	141.5	83%	0.83	68%	0.682	S	S	*	*			trans	-61.7	106.8	167.4	-66.2	-175	-178.9	-176.9	0	106.6	P123 K127	P123-K125 PolarHBondContact O-N 3.38Å; K125-K127 PolarHBondContact O-N 2.77Å; K125-K127 VanDerWaalsContact O-N 3.12Å
126	S	51.7	Low	60.8	Low	80 Å²	80	145.5 Å²	145.5	56%	0.559	70%	0.696	S	S	*	*			trans	-51.4	119.4	175.4	168.5	0	0	0	0	109.4	I124 F128	I124-S126 PolarHBondContact O-N 3.27Å; S126-F128 PolarHBondContact O-N 3.12Å; S126-F128 WeakPolarHBondContact OG-CB 3.46Å; S126-F128 WeakPolarHBondContact OG-CD2 3.13Å; S126-F128 PolarHBondContact OG-N 3Å
127	K	55.2	Low	59.5	Low	201 Å²	201	152.2 Å²	152.2	87%	0.874	72%	0.717	S	S	*	*			trans	-82.3	10	171.2	-67.6	-174.3	-176	175.5	0	112	K125 K129	K125-K127 PolarHBondContact O-N 2.77Å; K125-K127 VanDerWaalsContact O-N 3.12Å; K127-K129 PolarHBondContact O-N 2.99Å
128	F	53.3	Low	57.8	Low	142 Å²	142	149 Å²	149	62%	0.623	72%	0.715	S	S	*	*			trans	-62.5	90.1	172.5	-71.7	-63.1	0	0	0	107.8	F109 S126 T130	F109-F128 HydrophobicContact CE2-CZ 4.39Å; F109-F128 HydrophobicContact CZ-CE1 4.5Å; F109-F128 HydrophobicContact CZ-CZ 4.38Å; S126-F128 PolarHBondContact O-N 3.12Å; S126-F128 WeakPolarHBondContact OG-CB 3.46Å; S126-F128 WeakPolarHBondContact OG-CD2 3.13Å; S126-F128 PolarHBondContact OG-N 3Å; F128-T130 PolarHBondContact O-N 2.78Å
129	K	50.6	Low	56.3	Low	192 Å²	192	150.8 Å²	150.8	84%	0.835	73%	0.726	S	S	*	*			trans	-59.5	97.9	158.4	-70.9	-171.6	178.6	-174.1	0	103.4	K127 R131	K127-K129 PolarHBondContact O-N 2.99Å; K129-R131 PolarHBondContact O-N 2.91Å
130	T	52.2	Low	55.4	Low	127 Å²	127	156 Å²	156	78%	0.779	74%	0.736	S	S	*	*			trans	-56.5	103.1	159.6	48.1	0	0	0	0	103.5	F128 G132	F128-T130 PolarHBondContact O-N 2.78Å; T130-G132 PolarHBondContact O-N 3.33Å
131	R	52.7	Low	54.2	Low	245 Å²	245	154.7 Å²	154.7	93%	0.925	74%	0.74	S	S	*	*			trans	-67.7	62.6	161	-73.5	-178.2	170.4	171	-2.7	105.2	K129 K133	K129-R131 PolarHBondContact O-N 2.91Å; R131-K133 PolarHBondContact O-N 3.06Å
132	G	49.7	Very low	53.2	Low	56 Å²	56	154.4 Å²	154.4	58%	0.577	74%	0.737	S	S	*	*			trans	-65.1	111.1	-178.2	0	0	0	0	0	105.2	T130 K134	T130-G132 PolarHBondContact O-N 3.33Å; G132-K134 PolarHBondContact O-N 2.97Å
133	K	51	Low	52.5	Low	206 Å²	206	154.6 Å²	154.6	90%	0.896	74%	0.744	S	S	*	*			trans	-41	127.7	160.4	-72.8	179.7	174.8	179	0	107.2	R131 K135	R131-K133 PolarHBondContact O-N 3.06Å; K133-K135 PolarHBondContact O-N 3.19Å
134	K	51.3	Low	51.8	Low	199 Å²	199	153 Å²	153	87%	0.865	73%	0.729	S	S	*	*			trans	-41.8	136.2	-179	-75.2	178.4	173.9	178.2	0	111	G132 K136	G132-K134 PolarHBondContact O-N 2.97Å; K134-K136 PolarHBondContact O-N 3.2Å
135	K	48.6	Very low	50.9	Low	196 Å²	196	156.3 Å²	156.3	85%	0.852	74%	0.743	S	S	*	*	S	Bend	trans	-15.2	97.2	165.4	-63.5	-179.3	176	-176.3	0	114.4	K133	K133-K135 PolarHBondContact O-N 3.19Å
136	K	54.1	Low	50.1	Low	184 Å²	184	154.4 Å²	154.4	80%	0.8	74%	0.735	S	S	*	*	S	Bend	trans	-124.9	-28	152.7	-71.8	-163.5	177.5	-171	0	112.5	K134	K134-K136 PolarHBondContact O-N 3.2Å
137	Y	45.7	Very low	49.7	Very low	214 Å²	214	154.2 Å²	154.2	84%	0.839	73%	0.727	S	S	*	*			trans	-119.2	69	172.4	-42.2	-79.7	0	0	0	108.5	K139	Y137-K139 PolarHBondContact O-N 3.43Å
138	S	43.7	Very low	49.6	Very low	99 Å²	99	152.9 Å²	152.9	69%	0.692	73%	0.728	S	S	*	*			trans	-65.6	84.7	153	51.1	0	0	0	0	105.3	K140	S138-K140 PolarHBondContact O-N 3.15Å
139	K	51.9	Low	49.9	Very low	191 Å²	191	155.1 Å²	155.1	83%	0.83	74%	0.738	S	S	*	*			trans	-54.2	112.7	172.8	-171.3	173.8	-177.4	179.4	0	104.4	Y137 I141	Y137-K139 PolarHBondContact O-N 3.43Å; K139-I141 PolarHBondContact O-N 2.87Å
140	K	50.1	Low	49.7	Very low	156 Å²	156	148.9 Å²	148.9	68%	0.678	73%	0.728	S	S	*	*			trans	-52.2	109.1	179.4	-63.7	-179.3	177.3	-173.7	0	105.6	S138 V142 T161	S138-K140 PolarHBondContact O-N 3.15Å; K140-V142 PolarHBondContact O-N 3.39Å; K140-T161 PolarHBondContact NZ-OG1 3.43Å
141	I	49.5	Very low	49.4	Very low	151 Å²	151	144.3 Å²	144.3	77%	0.774	71%	0.706	S	S	*	*			trans	-73.7	96	171.4	-57.6	174	0	0	0	102.9	K139 D143	K139-I141 PolarHBondContact O-N 2.87Å; I141-D143 PolarHBondContact O-N 3.11Å
142	V	48.4	Very low	49.3	Very low	79 Å²	79	137.4 Å²	137.4	48%	0.479	69%	0.687	S	S	.	*			trans	-73.8	108	169.3	-170.8	0	0	0	0	104.3	K140 N144	K140-V142 PolarHBondContact O-N 3.39Å; V142-N144 WeakPolarHBondContact CG1-OD1 3.42Å; V142-N144 PolarHBondContact O-N 3.41Å
143	D	53	Low	49.3	Very low	131 Å²	131	142.8 Å²	142.8	70%	0.701	69%	0.694	S	S	*	*			trans	-67.4	82.5	168	-80.7	-14.9	0	0	0	106.8	I141 Q145	I141-D143 PolarHBondContact O-N 3.11Å; D143-Q145 PolarHBondContact O-N 3.27Å
144	N	50.6	Low	49.2	Very low	81 Å²	81	137.6 Å²	137.6	43%	0.433	67%	0.673	S	S	.	*			trans	-68.5	88.4	172.9	-75.7	-17.4	0	0	0	107.5	V142 F146	V142-N144 WeakPolarHBondContact CG1-OD1 3.42Å; V142-N144 PolarHBondContact O-N 3.41Å; N144-F146 HydrophobicContact CB-CE2 3.93Å; N144-F146 HydrophobicContact CB-CZ 4.06Å; N144-F146 VanDerWaalsContact O-CD2 3.32Å; N144-F146 WeakPolarHBondContact O-CD2 3.4Å; N144-F146 PolarHBondContact O-N 3.4Å
145	Q	44	Very low	49	Very low	161 Å²	161	131.4 Å²	131.4	75%	0.752	67%	0.667	S	S	*	*			trans	-73.5	111.3	166.3	-64.8	-175.9	-9	0	0	106.9	D143	D143-Q145 PolarHBondContact O-N 3.27Å
146	F	44.1	Very low	48.7	Very low	151 Å²	151	128.6 Å²	128.6	66%	0.662	66%	0.656	S	S	*	*			trans	-84.3	127.7	173.1	-63.4	-85.6	0	0	0	108.5	N144	N144-F146 HydrophobicContact CB-CE2 3.93Å; N144-F146 HydrophobicContact CB-CZ 4.06Å; N144-F146 VanDerWaalsContact O-CD2 3.32Å; N144-F146 WeakPolarHBondContact O-CD2 3.4Å; N144-F146 PolarHBondContact O-N 3.4Å
147	D	44.7	Very low	48.3	Very low	76 Å²	76	128.6 Å²	128.6	41%	0.406	66%	0.656	S	S	.	*			trans	-68.5	152.2	164	-169.7	9.9	0	0	0	109.3	K149 G150	D147-K149 PolarHBondContact O-N 3.39Å; D147-G150 PolarHBondContact O-N 3.16Å
148	I	52.5	Low	48.2	Very low	174 Å²	174	128.2 Å²	128.2	89%	0.892	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-26	179.9	-62.8	169.5	0	0	0	110.9	G150	I148-G150 VanDerWaalsContact C-N 3.31Å
149	K	59.6	Low	48.2	Very low	189 Å²	189	133 Å²	133	82%	0.822	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	1.5	177.1	-62.4	-174.2	-179.8	-179.3	0	114.4	D147 G151	D147-K149 PolarHBondContact O-N 3.39Å; K149-G151 PolarHBondContact O-N 3.13Å
150	G	46.6	Very low	47.6	Very low	61 Å²	61	133.1 Å²	133.1	63%	0.629	67%	0.666	S	S	*	*			trans	72.9	9.9	-179.2	0	0	0	0	0	114.8	D147 I148	D147-G150 PolarHBondContact O-N 3.16Å; I148-G150 VanDerWaalsContact C-N 3.31Å
151	G	46.6	Very low	47.4	Very low	31 Å²	31	130.9 Å²	130.9	32%	0.32	67%	0.666	S	S	.	*			trans	-76.5	123	174.2	0	0	0	0	0	111.3	K149 F153	K149-G151 PolarHBondContact O-N 3.13Å; G151-F153 PolarHBondContact O-N 3.05Å
152	L	49.1	Very low	47	Very low	99 Å²	99	126.7 Å²	126.7	52%	0.518	66%	0.66	S	S	.	*			trans	-79.6	99	175.6	-173	77.6	0	0	0	109.4	E154	L152-E154 PolarHBondContact O-N 3.37Å
153	F	49.3	Very low	46.7	Very low	169 Å²	169	131.4 Å²	131.4	74%	0.741	68%	0.683	S	S	*	*			trans	-91.6	91.8	162.7	-68.9	-78.4	0	0	0	108.1	G151 G155	G151-F153 PolarHBondContact O-N 3.05Å; F153-G155 VanDerWaalsContact C-N 3.32Å; F153-G155 PolarHBondContact O-N 3.28Å
154	E	49.5	Very low	46.2	Very low	97 Å²	97	134.8 Å²	134.8	45%	0.453	69%	0.687	S	S	.	*			trans	-70.5	93	172.2	-158.7	178.9	-179.4	0	0	108.6	L152 H156	L152-E154 PolarHBondContact O-N 3.37Å; E154-H156 VanDerWaalsContact C-N 3.28Å; E154-H156 WeakPolarHBondContact CG-NE2 3.36Å; E154-H156 PolarHBondContact O-CD2 2.97Å; E154-H156 VanDerWaalsContact O-CD2 3.25Å; E154-H156 PolarHBondContact O-N 3.05Å; E154-H156 IonicContact OE1-CE1 3.03Å; E154-H156 PolarHBondContact OE1-CE1 3.09Å; E154-H156 IonicContact OE1-NE2 3.2Å; E154-H156 PolarHBondContact OE1-NE2 3.06Å; E154-H156 IonicContact OE2-CD2 3.87Å; E154-H156 IonicContact OE2-CE1 3.48Å; E154-H156 PolarHBondContact OE2-CE1 2.86Å; E154-H156 IonicContact OE2-NE2 2.81Å; E154-H156 PolarHBondContact OE2-NE2 3.11Å
155	G	47.6	Very low	45.8	Very low	70 Å²	70	139.2 Å²	139.2	72%	0.722	71%	0.705	S	S	*	*			trans	-72	79.3	175.2	0	0	0	0	0	111.1	F153 K157	F153-G155 VanDerWaalsContact C-N 3.32Å; F153-G155 PolarHBondContact O-N 3.28Å; G155-K157 PolarHBondContact O-N 3.28Å
156	H	42.1	Very low	45.9	Very low	136 Å²	136	135 Å²	135	63%	0.63	70%	0.698	S	S	*	*			trans	-68.2	92	175.4	-71.4	-89.2	0	0	0	110.9	E154 Y158	E154-H156 VanDerWaalsContact C-N 3.28Å; E154-H156 WeakPolarHBondContact CG-NE2 3.36Å; E154-H156 PolarHBondContact O-CD2 2.97Å; E154-H156 VanDerWaalsContact O-CD2 3.25Å; E154-H156 PolarHBondContact O-N 3.05Å; E154-H156 IonicContact OE1-CE1 3.03Å; E154-H156 PolarHBondContact OE1-CE1 3.09Å; E154-H156 IonicContact OE1-NE2 3.2Å; E154-H156 PolarHBondContact OE1-NE2 3.06Å; E154-H156 IonicContact OE2-CD2 3.87Å; E154-H156 IonicContact OE2-CE1 3.48Å; E154-H156 PolarHBondContact OE2-CE1 2.86Å; E154-H156 IonicContact OE2-NE2 2.81Å; E154-H156 PolarHBondContact OE2-NE2 3.11Å; H156-Y158 VanDerWaalsContact C-N 3.27Å; H156-Y158 PolarHBondContact O-N 3.27Å
157	K	45.6	Very low	45.6	Very low	184 Å²	184	135.1 Å²	135.1	80%	0.8	71%	0.705	S	S	*	*			trans	-80.3	5.5	175.3	-79.4	-167.9	178.2	-178.4	0	115.2	G155	G155-K157 PolarHBondContact O-N 3.28Å
158	Y	43.1	Very low	45.5	Very low	206 Å²	206	134 Å²	134	81%	0.808	71%	0.712	S	S	*	*			trans	-125.9	117.4	-174.2	-60.8	-74.2	0	0	0	112.9	H156	H156-Y158 VanDerWaalsContact C-N 3.27Å; H156-Y158 PolarHBondContact O-N 3.27Å
159	K	44.2	Very low	44.7	Very low	201 Å²	201	131.2 Å²	131.2	87%	0.874	70%	0.703	S	S	*	*			trans	-59.6	132.8	171.6	-66.3	-179.2	174.8	-176.6	0	110
160	Q	39.8	Very low	43.8	Very low	193 Å²	193	128.6 Å²	128.6	90%	0.902	69%	0.694	S	S	*	*			trans	46.4	84.1	156	-91.8	170.2	-15.6	0	0	115.6
161	T	44.6	Very low	43.2	Very low	108 Å²	108	130.7 Å²	130.7	66%	0.663	69%	0.694	S	S	*	*			trans	-107.2	128.5	145.7	2.2	0	0	0	0	106.6	K140	K140-T161 PolarHBondContact NZ-OG1 3.43Å
162	G	42.6	Very low	42.9	Very low	63 Å²	63	138.1 Å²	138.1	65%	0.649	71%	0.713	S	S	*	*			trans	-53.6	171.6	-160.1	0	0	0	0	0	117.5	Y164	G162-Y164 VanDerWaalsContact C-N 3.32Å; G162-Y164 PolarHBondContact O-N 3.36Å
163	D	41.9	Very low	42.6	Very low	179 Å²	179	140 Å²	140	96%	0.957	72%	0.723	S	S	*	*			trans	-50.9	84.4	-172.4	-49.2	-33.4	0	0	0	112.5
164	Y	42	Very low	42.5	Very low	201 Å²	201	138.8 Å²	138.8	79%	0.788	72%	0.724	S	S	*	*			trans	-114.5	99.4	171.8	-169.7	-98.5	0	0	0	107.9	G162 A166	G162-Y164 VanDerWaalsContact C-N 3.32Å; G162-Y164 PolarHBondContact O-N 3.36Å; Y164-A166 HydrophobicContact CD1-CB 3.92Å; Y164-A166 HydrophobicContact CE1-CB 3.85Å; Y164-A166 PolarHBondContact O-N 3.46Å
165	Q	41.9	Very low	42.6	Very low	174 Å²	174	139.8 Å²	139.8	81%	0.813	74%	0.736	S	S	*	*			trans	-66.2	95.2	165.6	-92.6	179.7	-16.9	0	0	108.4	N167	Q165-N167 PolarHBondContact O-N 3.45Å
166	A	46.7	Very low	42.3	Very low	73 Å²	73	144.1 Å²	144.1	60%	0.603	73%	0.731	S	S	*	*			trans	-85.2	104.4	167	0	0	0	0	0	108.6	Y164 G168	Y164-A166 HydrophobicContact CD1-CB 3.92Å; Y164-A166 HydrophobicContact CE1-CB 3.85Å; Y164-A166 PolarHBondContact O-N 3.46Å; A166-G168 VanDerWaalsContact C-N 3.29Å; A166-G168 PolarHBondContact O-N 3.3Å
167	N	37.9	Very low	42.5	Very low	153 Å²	153	143.4 Å²	143.4	82%	0.818	73%	0.732	S	S	*	*			trans	-74.9	85.2	170.2	-65.4	-18.1	0	0	0	108.5	Q165	Q165-N167 PolarHBondContact O-N 3.45Å
168	G	41.2	Very low	42.9	Very low	53 Å²	53	142 Å²	142	55%	0.546	73%	0.728	S	S	.	*			trans	-90.7	119.5	174.9	0	0	0	0	0	111.2	A166 H170	A166-G168 VanDerWaalsContact C-N 3.29Å; A166-G168 PolarHBondContact O-N 3.3Å; G168-H170 PolarHBondContact O-N 3.33Å
169	T	36.4	Very low	43.3	Very low	115 Å²	115	138 Å²	138	71%	0.706	72%	0.721	S	S	*	*			trans	-75.8	113.6	168.8	-42.4	0	0	0	0	108.6
170	H	41.2	Very low	43.6	Very low	135 Å²	135	134.3 Å²	134.3	63%	0.625	71%	0.707	S	S	*	*			trans	-87.7	126.3	173.9	-86.4	-98.9	0	0	0	109.8	G168 Y172	G168-H170 PolarHBondContact O-N 3.33Å; H170-Y172 HydrophobicContact CB-CE2 4.35Å
171	V	34.7	Very low	44.1	Very low	104 Å²	104	130 Å²	130	63%	0.63	69%	0.688	S	S	*	*			trans	-105.3	121.4	170.5	-177.3	0	0	0	0	108	I173	V171-I173 HydrophobicContact CG1-CG1 4.24Å
172	Y	39.5	Very low	44.5	Very low	187 Å²	187	129.5 Å²	129.5	73%	0.733	68%	0.681	S	S	*	*			trans	-90.1	117.7	174.2	-64.9	-83.1	0	0	0	109.3	H170	H170-Y172 HydrophobicContact CB-CE2 4.35Å
173	I	42	Very low	44.9	Very low	139 Å²	139	132.1 Å²	132.1	71%	0.713	68%	0.68	S	S	*	*			trans	-107.2	108.5	173.4	-54.6	173.3	0	0	0	107	V171 V175	V171-I173 HydrophobicContact CG1-CG1 4.24Å; I173-V175 HydrophobicContact CG2-CG2 4.11Å; I173-V175 PolarHBondContact O-N 3.48Å
174	N	48.6	Very low	45.2	Very low	143 Å²	143	130.4 Å²	130.4	77%	0.765	66%	0.664	S	S	*	*			trans	-84.8	94.8	179.4	-142.8	-13.5	0	0	0	108.8	R176	N174-R176 PolarHBondContact O-N 3.23Å; N174-R176 VanDerWaalsContact O-N 3.15Å
175	V	50.1	Low	45.5	Very low	118 Å²	118	126 Å²	126	72%	0.715	65%	0.654	S	S	*	*			trans	-81.1	92.6	178.1	-171.3	0	0	0	0	107.8	I173	I173-V175 HydrophobicContact CG2-CG2 4.11Å; I173-V175 PolarHBondContact O-N 3.48Å
176	R	43	Very low	45.9	Very low	161 Å²	161	125.1 Å²	125.1	61%	0.608	65%	0.647	S	S	*	*			trans	-70.8	133.1	170.8	-71	-172.3	-177.7	-178.2	0.2	109.3	N174 E178 M181	N174-R176 PolarHBondContact O-N 3.23Å; N174-R176 VanDerWaalsContact O-N 3.15Å; R176-E178 PolarHBondContact O-N 3.39Å; R176-M181 HydrophobicContact CB-CE 4.22Å
177	N	44.9	Very low	46	Very low	122 Å²	122	124.7 Å²	124.7	65%	0.652	64%	0.64	S	S	*	*			trans	-60.2	134.5	177.9	-72.6	-22.3	0	0	0	110.4	N179 E180	N177-N179 PolarHBondContact O-N 3.02Å; N177-E180 PolarHBondContact O-N 3.43Å
178	E	54.3	Low	46.5	Very low	155 Å²	155	121.4 Å²	121.4	72%	0.724	62%	0.622	S	S	*	*	H	α-helix	trans	-46.6	-29.7	177.4	51.9	-161.3	151.6	0	0	114.3	R176 E180 M181 D182	R176-E178 PolarHBondContact O-N 3.39Å; E178-E180 VanDerWaalsContact C-N 3.28Å; E178-E180 PolarHBondContact O-N 3.42Å; E178-M181 WeakPolarHBondContact O-CB 3.5Å; E178-M181 PolarHBondContact O-N 3.33Å; E178-D182 PolarHBondContact O-N 3.09Å; E178-D182 VanDerWaalsContact O-N 3.17Å
179	N	51.3	Low	46.7	Very low	122 Å²	122	124.3 Å²	124.3	65%	0.652	63%	0.625	S	S	*	*	H	α-helix	trans	-63.4	-27.2	176.3	-61.8	-14.1	0	0	0	114.1	N177	N177-N179 PolarHBondContact O-N 3.02Å
180	E	50.6	Low	47.3	Very low	123 Å²	123	126.3 Å²	126.3	58%	0.575	63%	0.631	S	S	*	*	H	α-helix	trans	-79.7	-28.4	171.6	-80.4	-170.8	167	0	0	112.4	N177 E178 K184	N177-E180 PolarHBondContact O-N 3.43Å; E178-E180 VanDerWaalsContact C-N 3.28Å; E178-E180 PolarHBondContact O-N 3.42Å; E180-K184 PolarHBondContact O-N 3.4Å
181	M	51.6	Low	47.3	Very low	103 Å²	103	123.7 Å²	123.7	51%	0.507	63%	0.628	S	S	.	*	H	α-helix	trans	-67.2	-41.6	178.4	-70.4	-69.9	158.2	0	0	111	R176 E178 N183 K184 L185	R176-M181 HydrophobicContact CB-CE 4.22Å; E178-M181 WeakPolarHBondContact O-CB 3.5Å; E178-M181 PolarHBondContact O-N 3.33Å; M181-N183 PolarHBondContact O-N 3.46Å; M181-K184 PolarHBondContact O-N 3.42Å; M181-L185 PolarHBondContact O-N 2.84Å
182	D	51.7	Low	47.7	Very low	97 Å²	97	125.2 Å²	125.2	52%	0.519	63%	0.632	S	S	.	*	H	α-helix	trans	-66.8	-36.7	-179.3	-78.2	-4.9	0	0	0	112.7	E178 K184 L185 K186	E178-D182 PolarHBondContact O-N 3.09Å; E178-D182 VanDerWaalsContact O-N 3.17Å; D182-K184 VanDerWaalsContact C-N 3.35Å; D182-K184 PolarHBondContact O-N 3Å; D182-L185 PolarHBondContact O-N 3.29Å; D182-K186 WeakPolarHBondContact O-CB 3.4Å; D182-K186 PolarHBondContact O-N 3.12Å
183	N	51.3	Low	47.7	Very low	118 Å²	118	127 Å²	127	63%	0.631	64%	0.638	S	S	*	*	H	α-helix	trans	-68	-35.5	178	-79.4	-16.4	0	0	0	112.1	M181 S187	M181-N183 PolarHBondContact O-N 3.46Å; N183-S187 PolarHBondContact O-N 3.24Å; N183-S187 PolarHBondContact O-OG 2.84Å
184	K	48	Very low	47.5	Very low	142 Å²	142	131 Å²	131	62%	0.617	64%	0.644	S	S	*	*	H	α-helix	trans	-76.9	-32.7	175.7	-143.9	179.3	-173.4	-174.4	0	112.5	E180 M181 D182 S187 N188	E180-K184 PolarHBondContact O-N 3.4Å; M181-K184 PolarHBondContact O-N 3.42Å; D182-K184 VanDerWaalsContact C-N 3.35Å; D182-K184 PolarHBondContact O-N 3Å; K184-S187 WeakPolarHBondContact CA-OG 3.3Å; K184-S187 PolarHBondContact O-N 3.03Å; K184-S187 PolarHBondContact O-OG 3.11Å; K184-S187 VanDerWaalsContact O-OG 3.12Å; K184-N188 VanDerWaalsContact O-CB 3.31Å; K184-N188 WeakPolarHBondContact O-CB 3.41Å; K184-N188 PolarHBondContact O-N 2.61Å; K184-N188 PolarHBondContact O-ND2 3.27Å
185	L	49	Very low	47.1	Very low	109 Å²	109	131.9 Å²	131.9	57%	0.571	64%	0.643	S	S	*	*	H	α-helix	trans	-64.8	-41.5	171.3	-86	162	0	0	0	111.5	M181 D182 N188 L189	M181-L185 PolarHBondContact O-N 2.84Å; D182-L185 PolarHBondContact O-N 3.29Å; L185-N188 PolarHBondContact O-N 3.09Å; L185-L189 PolarHBondContact O-N 3.02Å; L185-L189 VanDerWaalsContact O-N 3.11Å
186	K	49.4	Very low	46.7	Very low	155 Å²	155	133.9 Å²	133.9	67%	0.674	65%	0.65	S	S	*	*	H	α-helix	trans	-68.8	-37.6	174.5	-85.3	-177.9	175.9	175.2	0	113.2	D182 N188	D182-K186 WeakPolarHBondContact O-CB 3.4Å; D182-K186 PolarHBondContact O-N 3.12Å; K186-N188 VanDerWaalsContact C-N 3.33Å
187	S	50.2	Low	46.6	Very low	65 Å²	65	135.3 Å²	135.3	46%	0.455	66%	0.66	S	S	.	*	H	α-helix	trans	-68.8	-33.3	175.6	69.2	0	0	0	0	112.4	N183 K184	N183-S187 PolarHBondContact O-N 3.24Å; N183-S187 PolarHBondContact O-OG 2.84Å; K184-S187 WeakPolarHBondContact CA-OG 3.3Å; K184-S187 PolarHBondContact O-N 3.03Å; K184-S187 PolarHBondContact O-OG 3.11Å; K184-S187 VanDerWaalsContact O-OG 3.12Å
188	N	46.6	Very low	46.4	Very low	83 Å²	83	137 Å²	137	44%	0.444	67%	0.67	S	S	.	*	H	α-helix	trans	-77.7	-24.9	179.8	-72.7	-9	0	0	0	113.5	K184 L185 K186 N190 S191	K184-N188 VanDerWaalsContact O-CB 3.31Å; K184-N188 WeakPolarHBondContact O-CB 3.41Å; K184-N188 PolarHBondContact O-N 2.61Å; K184-N188 PolarHBondContact O-ND2 3.27Å; L185-N188 PolarHBondContact O-N 3.09Å; K186-N188 VanDerWaalsContact C-N 3.33Å; N188-N190 PolarHBondContact O-N 3.44Å; N188-S191 CarbonylContact O-C 3.5Å; N188-S191 PolarHBondContact O-N 3.48Å; N188-S191 VanDerWaalsContact O-N 3.14Å
189	L	46.1	Very low	45.8	Very low	115 Å²	115	137.7 Å²	137.7	60%	0.602	68%	0.677	S	S	*	*	H	α-helix	trans	-65.4	-27.4	173.9	-92.4	157.6	0	0	0	112.7	L185 S191	L185-L189 PolarHBondContact O-N 3.02Å; L185-L189 VanDerWaalsContact O-N 3.11Å; L189-S191 VanDerWaalsContact C-N 3.34Å
190	N	48.4	Very low	45.2	Very low	156 Å²	156	137 Å²	137	83%	0.834	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-8.1	174.8	-74.4	-12	0	0	0	113.9	N188	N188-N190 PolarHBondContact O-N 3.44Å
191	S	43.2	Very low	44.6	Very low	80 Å²	80	136.9 Å²	136.9	56%	0.559	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.7	39.8	173.7	76.7	0	0	0	0	112	N188 L189 R193	N188-S191 CarbonylContact O-C 3.5Å; N188-S191 PolarHBondContact O-N 3.48Å; N188-S191 VanDerWaalsContact O-N 3.14Å; L189-S191 VanDerWaalsContact C-N 3.34Å; S191-R193 PolarHBondContact O-N 3.15Å
192	N	42	Very low	43.9	Very low	136 Å²	136	136.6 Å²	136.6	73%	0.727	70%	0.697	S	S	*	*			trans	-75.2	68.5	166.4	-103.2	-8.1	0	0	0	110.4
193	R	39.8	Very low	43.2	Very low	224 Å²	224	138 Å²	138	85%	0.845	70%	0.704	S	S	*	*	S	Bend	trans	-134.9	95.7	154.8	-81.2	-172.5	178.1	167.1	0.3	108.5	S191	S191-R193 PolarHBondContact O-N 3.15Å
194	R	38.6	Very low	42.6	Very low	224 Å²	224	139.2 Å²	139.2	85%	0.845	71%	0.71	S	S	*	*	S	Bend	trans	83	134.3	152.8	-54.1	174	177.8	165.8	-2	117
195	H	39.3	Very low	42	Very low	162 Å²	162	136.7 Å²	136.7	75%	0.75	71%	0.707	S	S	*	*			trans	92.2	95.3	167.8	-65.6	-68.3	0	0	0	117.9	K197	H195-K197 PolarHBondContact O-N 3.46Å
196	D	40.9	Very low	41.4	Very low	160 Å²	160	139.7 Å²	139.7	86%	0.856	72%	0.718	S	S	*	*			trans	-36	111.8	153.9	-49.3	-62.4	0	0	0	111.3
197	K	41.7	Very low	41	Very low	190 Å²	190	138.4 Å²	138.4	83%	0.826	72%	0.719	S	S	*	*			trans	-127.5	105.2	166.7	-70.9	-173.7	-178.2	-179.7	0	108.2	H195 L199	H195-K197 PolarHBondContact O-N 3.46Å; K197-L199 PolarHBondContact O-N 3.19Å
198	N	39.8	Very low	40.5	Very low	159 Å²	159	141.4 Å²	141.4	85%	0.85	73%	0.729	S	S	*	*			trans	-46.6	128	171.6	-67.5	-35.4	0	0	0	110.3	S200	N198-S200 PolarHBondContact O-N 3.33Å
199	L	41.6	Very low	40.3	Very low	168 Å²	168	145.9 Å²	145.9	88%	0.88	75%	0.747	S	S	*	*			trans	-69.4	96.6	178.6	-171.9	75.8	0	0	0	109.1	K197 V201	K197-L199 PolarHBondContact O-N 3.19Å; L199-V201 PolarHBondContact O-N 3.1Å
200	S	39.1	Very low	40.2	Very low	108 Å²	108	148.9 Å²	148.9	76%	0.755	76%	0.758	S	S	*	*			trans	-79.5	112.9	175.3	59.4	0	0	0	0	110	N198 S202	N198-S200 PolarHBondContact O-N 3.33Å; S200-S202 PolarHBondContact O-N 3.32Å
201	V	37.8	Very low	39.9	Very low	120 Å²	120	151.3 Å²	151.3	73%	0.727	76%	0.756	S	S	*	*			trans	-80.6	109.5	164.5	174.1	0	0	0	0	107.3	L199 I203	L199-V201 PolarHBondContact O-N 3.1Å; V201-I203 HydrophobicContact CG1-CG1 4.23Å
202	S	38.1	Very low	39.9	Very low	97 Å²	97	154.4 Å²	154.4	68%	0.678	77%	0.766	S	S	*	*			trans	-84	116.6	173.1	51.3	0	0	0	0	109.5	S200	S200-S202 PolarHBondContact O-N 3.32Å
203	I	37.4	Very low	40.1	Very low	127 Å²	127	155.6 Å²	155.6	65%	0.651	77%	0.767	S	S	*	*			trans	-99.8	101.4	172.4	-60.1	171.8	0	0	0	106.6	V201 T205	V201-I203 HydrophobicContact CG1-CG1 4.23Å; I203-T205 PolarHBondContact O-N 2.98Å
204	D	38.3	Very low	40.1	Very low	143 Å²	143	152.1 Å²	152.1	77%	0.765	76%	0.76	S	S	*	*			trans	-77.8	105.7	173.3	-70.7	-27.4	0	0	0	108.7
205	T	35.2	Very low	40.2	Very low	89 Å²	89	149.3 Å²	149.3	55%	0.546	76%	0.759	S	S	.	*			trans	-99	96.6	173.1	-42.6	0	0	0	0	106.7	I203 D207	I203-T205 PolarHBondContact O-N 2.98Å; T205-D207 PolarHBondContact O-N 3.22Å
206	Q	37	Very low	40.4	Very low	172 Å²	172	145.4 Å²	145.4	80%	0.804	75%	0.754	S	S	*	*			trans	-77.1	99.7	170.7	-101.3	-171.6	-29	0	0	108.9	N208	Q206-N208 PolarHBondContact O-N 3.46Å
207	D	39.3	Very low	40.6	Very low	129 Å²	129	143.6 Å²	143.6	69%	0.69	74%	0.744	S	S	*	*			trans	-72.1	116.5	166.5	-86.2	-27.4	0	0	0	109.3	T205 H209	T205-D207 PolarHBondContact O-N 3.22Å; D207-H209 PolarHBondContact O-N 2.82Å
208	N	41.4	Very low	40.6	Very low	127 Å²	127	143 Å²	143	68%	0.679	74%	0.741	S	S	*	*			trans	-72.7	49.4	-179.4	-79.7	-52.4	0	0	0	112.8	Q206	Q206-N208 PolarHBondContact O-N 3.46Å
209	H	41.3	Very low	40.7	Very low	178 Å²	178	143 Å²	143	82%	0.824	74%	0.741	S	S	*	*			trans	-82.9	-10.6	179.6	-106.6	9.2	0	0	0	115.1	D207	D207-H209 PolarHBondContact O-N 2.82Å
210	E	44.2	Very low	40.6	Very low	177 Å²	177	143.5 Å²	143.5	83%	0.827	76%	0.759	S	S	*	*	S	Bend	trans	-97.3	-9.8	-173.5	-68	-173	167	0	0	115.7	N212	E210-N212 VanDerWaalsContact C-N 3.26Å; E210-N212 PolarHBondContact O-N 2.81Å
211	R	42	Very low	40.7	Very low	208 Å²	208	145.3 Å²	145.3	79%	0.785	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-10.9	-175.6	-91	-174.3	174	-175.2	-0.4	115.5
212	N	42.6	Very low	40.8	Very low	144 Å²	144	146.6 Å²	146.6	77%	0.77	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-7.7	-178.3	-74.1	-13	0	0	0	114.8	E210	E210-N212 VanDerWaalsContact C-N 3.26Å; E210-N212 PolarHBondContact O-N 2.81Å
213	Q	46.2	Very low	40.9	Very low	161 Å²	161	149.4 Å²	149.4	75%	0.752	77%	0.765	S	S	*	*	S	Bend	trans	-86.4	-21.2	178.9	-63.9	-161.7	12.4	0	0	114
214	H	40.9	Very low	41.2	Very low	151 Å²	151	150.7 Å²	150.7	70%	0.699	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-12	-175.5	-118.2	-87.6	0	0	0	115.1
215	M	39.8	Very low	41.3	Very low	166 Å²	166	151.2 Å²	151.2	82%	0.818	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-10.2	175.5	-84.9	-150.2	134.7	0	0	114.3	I217	M215-I217 VanDerWaalsContact C-N 3.28Å; M215-I217 PolarHBondContact O-N 3.09Å
216	A	43.9	Very low	41.7	Very low	80 Å²	80	155.3 Å²	155.3	66%	0.661	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-12.7	179.2	0	0	0	0	0	114
217	I	44.3	Very low	42.1	Very low	122 Å²	122	154.1 Å²	154.1	63%	0.626	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-13.6	-173.9	-58.2	176.8	0	0	0	113	M215	M215-I217 VanDerWaalsContact C-N 3.28Å; M215-I217 PolarHBondContact O-N 3.09Å
218	F	42.7	Very low	42.3	Very low	178 Å²	178	156.1 Å²	156.1	78%	0.781	79%	0.794	S	S	*	*	S	Bend	trans	-97.4	6.4	-175.8	-83.6	-77.5	0	0	0	115.8
219	N	41.2	Very low	42.4	Very low	157 Å²	157	158.5 Å²	158.5	84%	0.84	80%	0.803	S	S	*	*			trans	-125	66.3	172.4	-71.6	-23.1	0	0	0	110.2
220	S	39.6	Very low	42.5	Very low	180 Å²	180	156.7 Å²	156.7	100%	1.259	80%	0.802	S	S	*	*			trans	-135.9	0	160.4	74.2	0	0	0	0	110.2

Retrieved 220 of 220 residues in 347.8 ms (Link to these results)

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