A0A3Q0KU82_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KU82, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 125 aa.

						>A0A3Q0KU82_SCHMA|A0A3Q0KU82
MLQLDSKSKYKPEFNDQSQSSIPKLPELSFQDVEKYFSDLWFEQISISEAVNRSEYHTSNTAEGNYQTISLSDEQLYNTDNHILANQLSIFPKNTDSRKMSTVENRRKRRWKTMARAMIPKTQYF
					

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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	39.6	Very low	50.5	Low	240 Å²	240	173.6 Å²	173.6	100%	1.182	86%	0.855	S	S	*	*				0	106.7	0	-102.4	178.4	143.1	0	0	107.5
2	L	46.4	Very low	51.3	Low	175 Å²	175	168.8 Å²	168.8	92%	0.916	85%	0.846	S	S	*	*			trans	-116.5	107.5	172.5	-76	166.7	0	0	0	106.2	L4	L2-L4 PolarHBondContact O-N 3.48Å
3	Q	43.6	Very low	51.7	Low	194 Å²	194	169.2 Å²	169.2	91%	0.907	84%	0.844	S	S	*	*			trans	-72.3	115.8	173.5	-75.6	171.9	-34.1	0	0	107.7
4	L	53.4	Low	51.8	Low	169 Å²	169	171.8 Å²	171.8	89%	0.885	85%	0.848	S	S	*	*			trans	-88.6	106.6	169.9	-95.4	153.3	0	0	0	107.5	L2 S6	L2-L4 PolarHBondContact O-N 3.48Å; L4-S6 PolarHBondContact O-N 3.28Å; L4-S6 VanDerWaalsContact O-N 3.13Å
5	D	50.5	Low	51.3	Low	155 Å²	155	170.5 Å²	170.5	83%	0.829	85%	0.846	S	S	*	*			trans	-57.1	114.3	174.8	-90.6	-37.6	0	0	0	110.8	K7	D5-K7 PolarHBondContact O-N 3.05Å
6	S	50.4	Low	51.3	Low	103 Å²	103	169.3 Å²	169.3	72%	0.72	84%	0.843	S	S	*	*	S	Bend	trans	-65.2	106.4	165.5	51.3	0	0	0	0	109.8	L4	L4-S6 PolarHBondContact O-N 3.28Å; L4-S6 VanDerWaalsContact O-N 3.13Å
7	K	56.7	Low	51.2	Low	193 Å²	193	169.5 Å²	169.5	84%	0.839	84%	0.841	S	S	*	*			trans	176.1	18.6	148.6	-98.3	167.1	-167.7	-174.1	0	116.9	D5 K9	D5-K7 PolarHBondContact O-N 3.05Å; K7-K9 VanDerWaalsContact C-N 3.32Å; K7-K9 PolarHBondContact O-N 2.8Å
8	S	52.2	Low	51.1	Low	97 Å²	97	166.9 Å²	166.9	68%	0.678	84%	0.842	S	S	*	*			trans	-76.6	87	164.5	53.2	0	0	0	0	110.3	Y10	S8-Y10 PolarHBondContact O-N 3.49Å
9	K	52.5	Low	51.2	Low	200 Å²	200	167.7 Å²	167.7	87%	0.87	84%	0.843	S	S	*	*			trans	-65.1	84.8	163.9	-75.3	-175.2	176.1	-177.1	0	108.5	K7 K11	K7-K9 VanDerWaalsContact C-N 3.32Å; K7-K9 PolarHBondContact O-N 2.8Å; K9-K11 PolarHBondContact O-N 3.16Å; K9-K11 VanDerWaalsContact O-N 3.11Å
10	Y	54.3	Low	51.2	Low	207 Å²	207	164.2 Å²	164.2	81%	0.812	83%	0.834	S	S	*	*			trans	-58.9	109.8	159.5	-88.2	-92.2	0	0	0	107.6	S8	S8-Y10 PolarHBondContact O-N 3.49Å
11	K	56.2	Low	51.7	Low	177 Å²	177	161.6 Å²	161.6	77%	0.77	83%	0.831	S	S	*	*			trans	-69.8	125	162.2	-85.5	-177.6	173.3	-178.6	0	107.1	K9 E13	K9-K11 PolarHBondContact O-N 3.16Å; K9-K11 VanDerWaalsContact O-N 3.11Å; K11-E13 PolarHBondContact O-N 2.86Å
12	P	59.5	Low	52.6	Low	115 Å²	115	156.2 Å²	156.2	75%	0.747	81%	0.806	S	S	*	*			trans	-75.8	104.7	166.9	24.5	-19.7	0	0	0	108	F14	P12-F14 PolarHBondContact O-N 3.21Å
13	E	56.8	Low	53.3	Low	175 Å²	175	153.1 Å²	153.1	82%	0.818	80%	0.797	S	S	*	*			trans	-76.2	16.3	170.2	-69.3	-178	165.4	0	0	112.8	K11 N15	K11-E13 PolarHBondContact O-N 2.86Å; E13-N15 PolarHBondContact O-N 3.25Å
14	F	53.1	Low	54.1	Low	205 Å²	205	153.4 Å²	153.4	90%	0.899	80%	0.795	S	S	*	*			trans	-85.9	62.4	170.8	-90.3	-88.1	0	0	0	110.8	P12	P12-F14 PolarHBondContact O-N 3.21Å
15	N	44.4	Very low	54.7	Low	153 Å²	153	152.4 Å²	152.4	82%	0.818	79%	0.79	S	S	*	*			trans	-137.4	61.5	164.9	-157.8	37.9	0	0	0	108.8	E13	E13-N15 PolarHBondContact O-N 3.25Å
16	D	51.7	Low	55.9	Low	150 Å²	150	150 Å²	150	80%	0.802	78%	0.782	S	S	*	*			trans	-151.1	139.4	167.6	-111.5	-26.7	0	0	0	109.3
17	Q	48.8	Very low	57.1	Low	174 Å²	174	154.4 Å²	154.4	81%	0.813	79%	0.792	S	S	*	*			trans	87.2	55.8	-176.6	-50.1	-170.7	1.1	0	0	116.5	Q19	Q17-Q19 PolarHBondContact O-N 3.46Å
18	S	50.5	Low	58	Low	122 Å²	122	150.6 Å²	150.6	85%	0.853	78%	0.78	S	S	*	*			trans	-50	69.6	135.7	35.2	0	0	0	0	112.4
19	Q	52.2	Low	59.5	Low	182 Å²	182	148.3 Å²	148.3	85%	0.85	76%	0.764	S	S	*	*			trans	-165.5	59.8	153.1	-72.4	-145.1	9.2	0	0	109.1	Q17 S21	Q17-Q19 PolarHBondContact O-N 3.46Å; Q19-S21 VanDerWaalsContact C-N 3.31Å; Q19-S21 PolarHBondContact O-N 2.98Å
20	S	52	Low	60.8	Low	97 Å²	97	146.7 Å²	146.7	68%	0.678	76%	0.757	S	S	*	*			trans	-74.4	94.1	162.8	81.9	0	0	0	0	107.6	I22	S20-I22 PolarHBondContact O-N 3.49Å
21	S	60.2	Low	62.3	Low	110 Å²	110	143.9 Å²	143.9	77%	0.769	75%	0.751	S	S	*	*			trans	-64.8	78.7	159.1	57.6	0	0	0	0	107.3	Q19 P23	Q19-S21 VanDerWaalsContact C-N 3.31Å; Q19-S21 PolarHBondContact O-N 2.98Å; S21-P23 VanDerWaalsContact O-CD 3.27Å; S21-P23 WeakPolarHBondContact O-CD 3.38Å; S21-P23 VanDerWaalsContact O-N 3.1Å
22	I	59.3	Low	63.7	Low	127 Å²	127	139.3 Å²	139.3	65%	0.651	74%	0.735	S	S	*	*			trans	-57.4	118.9	168.4	-62.2	171.4	0	0	0	104.4	S20 K24	S20-I22 PolarHBondContact O-N 3.49Å; I22-K24 PolarHBondContact O-N 3.15Å
23	P	61.2	Low	64.8	Low	111 Å²	111	136.5 Å²	136.5	72%	0.721	72%	0.716	S	S	*	*			trans	-57.3	110.5	174.3	21.5	-29.4	0	0	0	107.1	S21 L25	S21-P23 VanDerWaalsContact O-CD 3.27Å; S21-P23 WeakPolarHBondContact O-CD 3.38Å; S21-P23 VanDerWaalsContact O-N 3.1Å; P23-L25 PolarHBondContact O-N 3.49Å
24	K	60.6	Low	66.2	Low	200 Å²	200	133.3 Å²	133.3	87%	0.87	70%	0.701	S	S	*	*			trans	-66.7	107.6	170.4	-78	-172.9	177.5	-176	0	106	I22	I22-K24 PolarHBondContact O-N 3.15Å
25	L	66.2	Low	67.8	Low	148 Å²	148	130 Å²	130	78%	0.775	69%	0.686	S	S	*	*			trans	-58.7	140.8	166.4	-72.9	164.9	0	0	0	107.7	P23 E27	P23-L25 PolarHBondContact O-N 3.49Å; L25-E27 PolarHBondContact O-N 3.47Å
26	P	75.1	Confident	69.7	Low	103 Å²	103	129.5 Å²	129.5	67%	0.669	67%	0.674	S	S	*	*			trans	-55.5	126.2	171.6	22.2	-29.8	0	0	0	108.2	L28	P26-L28 VanDerWaalsContact C-N 3.27Å; P26-L28 PolarHBondContact O-N 3.25Å
27	E	75.1	Confident	71.2	Confident	197 Å²	197	128.4 Å²	128.4	92%	0.921	66%	0.662	S	S	*	*			trans	-68	92	172.7	-73.4	-179	-178.5	0	0	107.5	L25	L25-E27 PolarHBondContact O-N 3.47Å
28	L	75.6	Confident	72.8	Confident	112 Å²	112	122.4 Å²	122.4	59%	0.586	64%	0.639	S	S	*	*			trans	-70.9	131.8	170.2	-70.5	169.6	0	0	0	108.2	P26 D32 V33	P26-L28 VanDerWaalsContact C-N 3.27Å; P26-L28 PolarHBondContact O-N 3.25Å; L28-D32 HydrophobicContact CB-CB 4.31Å; L28-D32 HydrophobicContact CD2-CB 3.98Å; L28-V33 HydrophobicContact CB-CG2 3.85Å; L28-V33 HydrophobicContact CD1-CG2 4.39Å
29	S	83.6	Confident	74.4	Confident	50 Å²	50	120.4 Å²	120.4	35%	0.35	62%	0.619	S	S	.	*			trans	-64.9	156.5	171.6	74	0	0	0	0	109.4	Q31 D32 V33	S29-Q31 PolarHBondContact O-N 3.42Å; S29-Q31 VanDerWaalsContact O-N 3.13Å; S29-Q31 PolarHBondContact OG-N 3.39Å; S29-D32 WeakPolarHBondContact CB-OD2 3.31Å; S29-D32 PolarHBondContact N-OD2 2.71Å; S29-D32 VanDerWaalsContact N-OD2 3.12Å; S29-D32 PolarHBondContact O-N 2.74Å; S29-D32 PolarHBondContact OG-N 3.09Å; S29-D32 PolarHBondContact OG-OD2 2.7Å; S29-V33 PolarHBondContact O-N 2.9Å
30	F	79.9	Confident	75.7	Confident	166 Å²	166	115 Å²	115	73%	0.728	60%	0.595	S	S	*	*	H	α-helix	trans	-53	-35.3	173.4	178.2	-93.7	0	0	0	111.8	V33 E34	F30-V33 PolarHBondContact O-N 3.27Å; F30-E34 WeakPolarHBondContact O-CB 3.13Å; F30-E34 PolarHBondContact O-N 3.12Å
31	Q	85.6	Confident	76.9	Confident	148 Å²	148	118.3 Å²	118.3	69%	0.692	59%	0.593	S	S	*	*	H	α-helix	trans	-66.9	-38.7	178.6	-65.5	176.3	-6.6	0	0	112.5	S29 V33 E34 K35	S29-Q31 PolarHBondContact O-N 3.42Å; S29-Q31 VanDerWaalsContact O-N 3.13Å; S29-Q31 PolarHBondContact OG-N 3.39Å; Q31-V33 VanDerWaalsContact C-N 3.35Å; Q31-E34 PolarHBondContact O-N 2.99Å; Q31-K35 VanDerWaalsContact O-CB 3.3Å; Q31-K35 WeakPolarHBondContact O-CB 3.22Å; Q31-K35 PolarHBondContact O-N 2.79Å
32	D	86	Confident	77.5	Confident	81 Å²	81	119.7 Å²	119.7	43%	0.433	59%	0.586	S	S	.	*	H	α-helix	trans	-67.2	-39.9	177.7	-60.8	-48.3	0	0	0	111.2	L28 S29 Y36	L28-D32 HydrophobicContact CB-CB 4.31Å; L28-D32 HydrophobicContact CD2-CB 3.98Å; S29-D32 WeakPolarHBondContact CB-OD2 3.31Å; S29-D32 PolarHBondContact N-OD2 2.71Å; S29-D32 VanDerWaalsContact N-OD2 3.12Å; S29-D32 PolarHBondContact O-N 2.74Å; S29-D32 PolarHBondContact OG-N 3.09Å; S29-D32 PolarHBondContact OG-OD2 2.7Å; D32-Y36 WeakPolarHBondContact O-CB 3.47Å; D32-Y36 PolarHBondContact O-N 2.7Å
33	V	83.1	Confident	78.2	Confident	55 Å²	55	119.5 Å²	119.5	33%	0.333	58%	0.582	S	S	.	*	H	α-helix	trans	-65.8	-46.8	176.4	178.2	0	0	0	0	110.4	L28 S29 F30 Q31 K35 Y36 F37	L28-V33 HydrophobicContact CB-CG2 3.85Å; L28-V33 HydrophobicContact CD1-CG2 4.39Å; S29-V33 PolarHBondContact O-N 2.9Å; F30-V33 PolarHBondContact O-N 3.27Å; Q31-V33 VanDerWaalsContact C-N 3.35Å; V33-K35 VanDerWaalsContact C-N 3.34Å; V33-K35 PolarHBondContact O-N 3.47Å; V33-Y36 PolarHBondContact O-N 2.89Å; V33-F37 HydrophobicContact CG1-CD2 3.65Å; V33-F37 HydrophobicContact CG1-CE2 3.58Å; V33-F37 VanDerWaalsContact O-CD2 3.22Å; V33-F37 WeakPolarHBondContact O-CD2 3.46Å; V33-F37 PolarHBondContact O-N 3.11Å
34	E	85.2	Confident	78.5	Confident	108 Å²	108	120.1 Å²	120.1	51%	0.505	58%	0.575	S	S	.	*	H	α-helix	trans	-60.8	-43	177.7	-176.8	172.9	-150.6	0	0	111.8	F30 Q31 F37 S38	F30-E34 WeakPolarHBondContact O-CB 3.13Å; F30-E34 PolarHBondContact O-N 3.12Å; Q31-E34 PolarHBondContact O-N 2.99Å; E34-F37 PolarHBondContact O-N 3.46Å; E34-S38 WeakPolarHBondContact O-CB 3.29Å; E34-S38 PolarHBondContact O-N 2.91Å; E34-S38 PolarHBondContact O-OG 3.3Å
35	K	87.6	Confident	78.6	Confident	135 Å²	135	113.8 Å²	113.8	59%	0.587	55%	0.55	S	S	*	*	H	α-helix	trans	-61.9	-48	175.3	-173.8	-174.2	174	-162.5	0	111.3	Q31 V33 F37 S38 D39	Q31-K35 VanDerWaalsContact O-CB 3.3Å; Q31-K35 WeakPolarHBondContact O-CB 3.22Å; Q31-K35 PolarHBondContact O-N 2.79Å; V33-K35 VanDerWaalsContact C-N 3.34Å; V33-K35 PolarHBondContact O-N 3.47Å; K35-F37 VanDerWaalsContact C-N 3.34Å; K35-F37 PolarHBondContact O-N 3.43Å; K35-S38 WeakPolarHBondContact O-CB 3.49Å; K35-S38 PolarHBondContact O-N 3.37Å; K35-S38 VanDerWaalsContact O-N 3.13Å; K35-D39 PolarHBondContact O-N 3.44Å
36	Y	84.9	Confident	78.5	Confident	143 Å²	143	110.4 Å²	110.4	56%	0.561	54%	0.539	S	S	*	.	H	α-helix	trans	-58.1	-45.2	178.7	177.6	-104	0	0	0	112.3	D32 V33 S38 D39 L40	D32-Y36 WeakPolarHBondContact O-CB 3.47Å; D32-Y36 PolarHBondContact O-N 2.7Å; V33-Y36 PolarHBondContact O-N 2.89Å; Y36-S38 VanDerWaalsContact C-N 3.35Å; Y36-D39 PolarHBondContact O-N 2.99Å; Y36-L40 HydrophobicContact CD1-CD1 3.86Å; Y36-L40 HydrophobicContact CE1-CD1 3.31Å; Y36-L40 HydrophobicContact CE1-CG 4.24Å; Y36-L40 HydrophobicContact CE2-CD1 4.28Å; Y36-L40 HydrophobicContact CE2-CG 4.42Å; Y36-L40 WeakPolarHBondContact O-CG 3.49Å; Y36-L40 PolarHBondContact O-N 3.4Å
37	F	82.4	Confident	77.9	Confident	128 Å²	128	110.8 Å²	110.8	56%	0.561	53%	0.534	S	S	*	.	H	α-helix	trans	-69.1	-32.8	177.1	-80.9	-69.3	0	0	0	113.1	V33 E34 K35 L40 W41	V33-F37 HydrophobicContact CG1-CD2 3.65Å; V33-F37 HydrophobicContact CG1-CE2 3.58Å; V33-F37 VanDerWaalsContact O-CD2 3.22Å; V33-F37 WeakPolarHBondContact O-CD2 3.46Å; V33-F37 PolarHBondContact O-N 3.11Å; E34-F37 PolarHBondContact O-N 3.46Å; K35-F37 VanDerWaalsContact C-N 3.34Å; K35-F37 PolarHBondContact O-N 3.43Å; F37-L40 HydrophobicContact CD1-CD1 4.5Å; F37-W41 WeakPolarHBondContact O-CB 3.39Å; F37-W41 PolarHBondContact O-N 2.89Å
38	S	82.7	Confident	77.3	Confident	48 Å²	48	104.4 Å²	104.4	34%	0.336	51%	0.512	S	S	.	.	H	α-helix	trans	-66.2	-47.4	174.5	-59.1	0	0	0	0	111.1	E34 K35 Y36 L40 W41 F42	E34-S38 WeakPolarHBondContact O-CB 3.29Å; E34-S38 PolarHBondContact O-N 2.91Å; E34-S38 PolarHBondContact O-OG 3.3Å; K35-S38 WeakPolarHBondContact O-CB 3.49Å; K35-S38 PolarHBondContact O-N 3.37Å; K35-S38 VanDerWaalsContact O-N 3.13Å; Y36-S38 VanDerWaalsContact C-N 3.35Å; S38-L40 PolarHBondContact O-N 2.9Å; S38-W41 WeakPolarHBondContact O-CB 3.3Å; S38-W41 PolarHBondContact O-N 2.75Å; S38-W41 VanDerWaalsContact O-N 3.11Å; S38-F42 WeakPolarHBondContact O-CD2 3.5Å; S38-F42 PolarHBondContact O-N 3.43Å
39	D	83.1	Confident	76.7	Confident	80 Å²	80	104 Å²	104	43%	0.428	51%	0.507	S	S	.	.	H	α-helix	trans	-58.7	-47.5	177.9	-68.4	-17.1	0	0	0	110.6	K35 Y36 W41 F42 E43	K35-D39 PolarHBondContact O-N 3.44Å; Y36-D39 PolarHBondContact O-N 2.99Å; D39-W41 VanDerWaalsContact C-N 3.3Å; D39-W41 PolarHBondContact O-N 3.05Å; D39-F42 PolarHBondContact O-N 3.3Å; D39-E43 WeakPolarHBondContact O-CG 3.48Å; D39-E43 PolarHBondContact O-N 3.45Å
40	L	79.2	Confident	75.7	Confident	67 Å²	67	104.4 Å²	104.4	35%	0.351	51%	0.513	S	S	.	.	H	α-helix	trans	-58.6	-39.3	174.5	-77.3	177.2	0	0	0	113.1	Y36 F37 S38 Q44	Y36-L40 HydrophobicContact CD1-CD1 3.86Å; Y36-L40 HydrophobicContact CE1-CD1 3.31Å; Y36-L40 HydrophobicContact CE1-CG 4.24Å; Y36-L40 HydrophobicContact CE2-CD1 4.28Å; Y36-L40 HydrophobicContact CE2-CG 4.42Å; Y36-L40 WeakPolarHBondContact O-CG 3.49Å; Y36-L40 PolarHBondContact O-N 3.4Å; F37-L40 HydrophobicContact CD1-CD1 4.5Å; S38-L40 PolarHBondContact O-N 2.9Å; L40-Q44 WeakPolarHBondContact O-CB 3.43Å; L40-Q44 PolarHBondContact O-N 3.38Å
41	W	77.3	Confident	74.9	Confident	168 Å²	168	99.5 Å²	99.5	64%	0.636	50%	0.496	S	S	*	.	H	α-helix	trans	-67.5	-41.4	178.6	-172.6	-95.8	0	0	0	111.6	F37 S38 D39 Q44 I45	F37-W41 WeakPolarHBondContact O-CB 3.39Å; F37-W41 PolarHBondContact O-N 2.89Å; S38-W41 WeakPolarHBondContact O-CB 3.3Å; S38-W41 PolarHBondContact O-N 2.75Å; S38-W41 VanDerWaalsContact O-N 3.11Å; D39-W41 VanDerWaalsContact C-N 3.3Å; D39-W41 PolarHBondContact O-N 3.05Å; W41-Q44 PolarHBondContact O-N 2.97Å; W41-I45 WeakPolarHBondContact O-CG1 3.05Å; W41-I45 PolarHBondContact O-N 3.49Å; W41-I45 VanDerWaalsContact O-N 3.12Å
42	F	73.7	Confident	73.7	Confident	139 Å²	139	96.1 Å²	96.1	61%	0.61	48%	0.483	S	S	*	.	H	α-helix	trans	-67	-38.8	176.3	-75.3	-66.2	0	0	0	112.6	S38 D39 Q44 I45 S46	S38-F42 WeakPolarHBondContact O-CD2 3.5Å; S38-F42 PolarHBondContact O-N 3.43Å; D39-F42 PolarHBondContact O-N 3.3Å; F42-Q44 VanDerWaalsContact C-N 3.3Å; F42-Q44 PolarHBondContact O-N 3.23Å; F42-I45 HydrophobicContact CD1-CD1 4.17Å; F42-I45 WeakPolarHBondContact O-CB 3.48Å; F42-I45 PolarHBondContact O-N 3.13Å; F42-S46 PolarHBondContact O-N 2.95Å
43	E	73.3	Confident	72.4	Confident	122 Å²	122	100.3 Å²	100.3	57%	0.57	49%	0.493	S	S	*	.	H	α-helix	trans	-61.2	-40.8	172.5	-73.6	-175.1	174.3	0	0	111.7	D39 I45 S46 I47	D39-E43 WeakPolarHBondContact O-CG 3.48Å; D39-E43 PolarHBondContact O-N 3.45Å; E43-I45 VanDerWaalsContact C-N 3.29Å; E43-I45 PolarHBondContact O-N 3.06Å; E43-S46 PolarHBondContact O-N 3.17Å; E43-I47 WeakPolarHBondContact O-CG1 3.37Å; E43-I47 PolarHBondContact O-N 3.23Å
44	Q	68.5	Low	71.1	Confident	124 Å²	124	100.7 Å²	100.7	58%	0.579	50%	0.498	S	S	*	.	H	α-helix	trans	-64.1	-33.9	177.4	-170.4	169.9	-4.8	0	0	112.6	L40 W41 F42 S48	L40-Q44 WeakPolarHBondContact O-CB 3.43Å; L40-Q44 PolarHBondContact O-N 3.38Å; W41-Q44 PolarHBondContact O-N 2.97Å; F42-Q44 VanDerWaalsContact C-N 3.3Å; F42-Q44 PolarHBondContact O-N 3.23Å; Q44-S48 VanDerWaalsContact O-CB 3.3Å; Q44-S48 WeakPolarHBondContact O-CB 3.3Å; Q44-S48 PolarHBondContact O-N 3.33Å
45	I	61.6	Low	69.6	Low	68 Å²	68	100.2 Å²	100.2	35%	0.349	50%	0.496	S	S	.	.	H	α-helix	trans	-63.1	-46.3	173.3	-66.5	167.6	0	0	0	110.2	W41 F42 E43 I47 S48 E49	W41-I45 WeakPolarHBondContact O-CG1 3.05Å; W41-I45 PolarHBondContact O-N 3.49Å; W41-I45 VanDerWaalsContact O-N 3.12Å; F42-I45 HydrophobicContact CD1-CD1 4.17Å; F42-I45 WeakPolarHBondContact O-CB 3.48Å; F42-I45 PolarHBondContact O-N 3.13Å; E43-I45 VanDerWaalsContact C-N 3.29Å; E43-I45 PolarHBondContact O-N 3.06Å; I45-I47 PolarHBondContact O-N 3.12Å; I45-S48 PolarHBondContact O-N 3.12Å; I45-E49 HydrophobicContact CG2-CG 4.45Å; I45-E49 PolarHBondContact O-N 3.05Å
46	S	64.5	Low	67.9	Low	77 Å²	77	102.2 Å²	102.2	54%	0.538	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-41.6	-179.8	-172.3	0	0	0	0	112.3	F42 E43 E49 A50	F42-S46 PolarHBondContact O-N 2.95Å; E43-S46 PolarHBondContact O-N 3.17Å; S46-E49 PolarHBondContact O-N 3.2Å; S46-A50 VanDerWaalsContact O-CB 3.31Å; S46-A50 WeakPolarHBondContact O-CB 3.39Å; S46-A50 PolarHBondContact O-N 3.48Å
47	I	63.7	Low	66.2	Low	110 Å²	110	102.7 Å²	102.7	56%	0.564	51%	0.508	S	S	*	.	H	α-helix	trans	-65.6	-43.8	176.2	-64.4	168.1	0	0	0	110.5	E43 I45 E49 A50 V51	E43-I47 WeakPolarHBondContact O-CG1 3.37Å; E43-I47 PolarHBondContact O-N 3.23Å; I45-I47 PolarHBondContact O-N 3.12Å; I47-E49 PolarHBondContact O-N 2.88Å; I47-A50 PolarHBondContact O-N 3.39Å; I47-V51 HydrophobicContact CG2-CG2 4.41Å; I47-V51 VanDerWaalsContact O-CG2 3.29Å; I47-V51 WeakPolarHBondContact O-CG2 3.45Å; I47-V51 PolarHBondContact O-N 2.87Å
48	S	61.2	Low	64.7	Low	64 Å²	64	102 Å²	102	45%	0.448	52%	0.515	S	S	.	.	H	α-helix	trans	-61.8	-43.3	178.1	-172.1	0	0	0	0	111.9	Q44 I45 V51 N52	Q44-S48 VanDerWaalsContact O-CB 3.3Å; Q44-S48 WeakPolarHBondContact O-CB 3.3Å; Q44-S48 PolarHBondContact O-N 3.33Å; I45-S48 PolarHBondContact O-N 3.12Å; S48-V51 PolarHBondContact O-N 3.13Å; S48-N52 WeakPolarHBondContact O-CB 3.38Å; S48-N52 VanDerWaalsContact O-CG 3.25Å; S48-N52 PolarHBondContact O-N 2.95Å; S48-N52 PolarHBondContact O-ND2 2.78Å; S48-N52 VanDerWaalsContact O-ND2 3.13Å
49	E	62.9	Low	63.2	Low	104 Å²	104	103.4 Å²	103.4	49%	0.486	52%	0.524	S	S	.	.	H	α-helix	trans	-65.7	-39.8	174.5	-75.3	-171.8	176.4	0	0	112.7	I45 S46 I47 N52 R53	I45-E49 HydrophobicContact CG2-CG 4.45Å; I45-E49 PolarHBondContact O-N 3.05Å; S46-E49 PolarHBondContact O-N 3.2Å; I47-E49 PolarHBondContact O-N 2.88Å; E49-N52 PolarHBondContact O-N 3.34Å; E49-R53 WeakPolarHBondContact O-CB 3.22Å; E49-R53 WeakPolarHBondContact O-CG 3.47Å; E49-R53 PolarHBondContact O-N 3.11Å
50	A	63.1	Low	61.5	Low	58 Å²	58	106.4 Å²	106.4	48%	0.479	54%	0.54	S	S	.	.	H	α-helix	trans	-64	-41.3	176.5	0	0	0	0	0	111.9	S46 I47 R53 S54	S46-A50 VanDerWaalsContact O-CB 3.31Å; S46-A50 WeakPolarHBondContact O-CB 3.39Å; S46-A50 PolarHBondContact O-N 3.48Å; I47-A50 PolarHBondContact O-N 3.39Å; A50-R53 PolarHBondContact O-N 3.02Å; A50-S54 PolarHBondContact O-N 3.14Å
51	V	62.6	Low	60	Low	62 Å²	62	109.3 Å²	109.3	38%	0.376	56%	0.561	S	S	.	*	H	α-helix	trans	-63	-49.1	174.8	171.3	0	0	0	0	110.2	I47 S48 R53 S54 E55	I47-V51 HydrophobicContact CG2-CG2 4.41Å; I47-V51 VanDerWaalsContact O-CG2 3.29Å; I47-V51 WeakPolarHBondContact O-CG2 3.45Å; I47-V51 PolarHBondContact O-N 2.87Å; S48-V51 PolarHBondContact O-N 3.13Å; V51-R53 PolarHBondContact O-N 3.45Å; V51-S54 PolarHBondContact O-N 2.78Å; V51-S54 VanDerWaalsContact O-N 3.12Å; V51-S54 PolarHBondContact O-OG 3.29Å; V51-E55 PolarHBondContact O-N 3.22Å; V51-E55 VanDerWaalsContact O-N 3.11Å
52	N	61.2	Low	58.6	Low	77 Å²	77	105.1 Å²	105.1	41%	0.412	56%	0.562	S	S	.	*	H	α-helix	trans	-59.6	-43.4	177.7	-70.4	-31.7	0	0	0	112	S48 E49 S54 E55 Y56	S48-N52 WeakPolarHBondContact O-CB 3.38Å; S48-N52 VanDerWaalsContact O-CG 3.25Å; S48-N52 PolarHBondContact O-N 2.95Å; S48-N52 PolarHBondContact O-ND2 2.78Å; S48-N52 VanDerWaalsContact O-ND2 3.13Å; E49-N52 PolarHBondContact O-N 3.34Å; N52-S54 VanDerWaalsContact C-N 3.32Å; N52-S54 PolarHBondContact O-N 3.2Å; N52-E55 PolarHBondContact O-N 2.64Å; N52-Y56 WeakPolarHBondContact O-CD2 3.35Å; N52-Y56 PolarHBondContact O-N 3.12Å
53	R	58	Low	57.3	Low	169 Å²	169	107.8 Å²	107.8	64%	0.638	58%	0.576	S	S	*	*	H	α-helix	trans	-64.1	-35.5	176.6	-75.1	-178.2	-176.8	174.2	5.8	112.6	E49 A50 V51 E55 Y56 H57	E49-R53 WeakPolarHBondContact O-CB 3.22Å; E49-R53 WeakPolarHBondContact O-CG 3.47Å; E49-R53 PolarHBondContact O-N 3.11Å; A50-R53 PolarHBondContact O-N 3.02Å; V51-R53 PolarHBondContact O-N 3.45Å; R53-E55 VanDerWaalsContact C-N 3.35Å; R53-Y56 PolarHBondContact O-N 2.93Å; R53-H57 PolarHBondContact O-CD2 3.19Å
54	S	56.4	Low	55.9	Low	63 Å²	63	104.5 Å²	104.5	44%	0.441	58%	0.575	S	S	.	*	H	α-helix	trans	-67.1	-35.7	177	73	0	0	0	0	112.5	A50 V51 N52 Y56 H57 T58	A50-S54 PolarHBondContact O-N 3.14Å; V51-S54 PolarHBondContact O-N 2.78Å; V51-S54 VanDerWaalsContact O-N 3.12Å; V51-S54 PolarHBondContact O-OG 3.29Å; N52-S54 VanDerWaalsContact C-N 3.32Å; N52-S54 PolarHBondContact O-N 3.2Å; S54-Y56 VanDerWaalsContact C-N 3.33Å; S54-Y56 PolarHBondContact O-N 3.48Å; S54-H57 PolarHBondContact O-N 3.18Å; S54-T58 PolarHBondContact O-N 3.42Å; S54-T58 PolarHBondContact O-OG1 2.94Å
55	E	53.7	Low	54.6	Low	98 Å²	98	105.7 Å²	105.7	46%	0.458	59%	0.585	S	S	.	*	H	α-helix	trans	-68.7	-28.9	179.2	-70.9	179.1	178.7	0	0	113	V51 N52 R53 H57 S59	V51-E55 PolarHBondContact O-N 3.22Å; V51-E55 VanDerWaalsContact O-N 3.11Å; N52-E55 PolarHBondContact O-N 2.64Å; R53-E55 VanDerWaalsContact C-N 3.35Å; E55-H57 VanDerWaalsContact C-N 3.35Å; E55-S59 PolarHBondContact O-OG 3.05Å; E55-S59 VanDerWaalsContact O-OG 3.09Å
56	Y	51.2	Low	53.8	Low	178 Å²	178	112.9 Å²	112.9	70%	0.698	61%	0.61	S	S	*	*	H	α-helix	trans	-78.1	-14	175.8	-77.5	-71.8	0	0	0	114.3	N52 R53 S54	N52-Y56 WeakPolarHBondContact O-CD2 3.35Å; N52-Y56 PolarHBondContact O-N 3.12Å; R53-Y56 PolarHBondContact O-N 2.93Å; S54-Y56 VanDerWaalsContact C-N 3.33Å; S54-Y56 PolarHBondContact O-N 3.48Å
57	H	50.8	Low	52.8	Low	152 Å²	152	117.1 Å²	117.1	70%	0.704	62%	0.621	S	S	*	*	H	α-helix	trans	-105.4	-8.5	-177.7	-71	-54.1	0	0	0	114.7	R53 S54 E55	R53-H57 PolarHBondContact O-CD2 3.19Å; S54-H57 PolarHBondContact O-N 3.18Å; E55-H57 VanDerWaalsContact C-N 3.35Å
58	T	50.5	Low	51.7	Low	115 Å²	115	118.4 Å²	118.4	71%	0.706	63%	0.634	S	S	*	*	S	Bend	trans	-103.2	0.7	179.7	57.8	0	0	0	0	114.6	S54	S54-T58 PolarHBondContact O-N 3.42Å; S54-T58 PolarHBondContact O-OG1 2.94Å
59	S	51.8	Low	50.9	Low	76 Å²	76	122.3 Å²	122.3	53%	0.531	65%	0.648	S	S	.	*	S	Bend	trans	-110	-3	-172.6	42.7	0	0	0	0	115.7	E55	E55-S59 PolarHBondContact O-OG 3.05Å; E55-S59 VanDerWaalsContact O-OG 3.09Å
60	N	45.5	Very low	49.6	Very low	143 Å²	143	122.3 Å²	122.3	77%	0.765	66%	0.66	S	S	*	*	S	Bend	trans	-119.6	17.3	-175.6	-77.1	-11.1	0	0	0	115.7
61	T	48.7	Very low	48.8	Very low	128 Å²	128	126.3 Å²	126.3	79%	0.785	67%	0.673	S	S	*	*	S	Bend	trans	-129.8	13.2	-179.3	40.7	0	0	0	0	115.5
62	A	48.8	Very low	47.9	Very low	80 Å²	80	128.1 Å²	128.1	66%	0.661	69%	0.688	S	S	*	*			trans	-119.9	11.7	176.4	0	0	0	0	0	115.1	G64	A62-G64 PolarHBondContact O-N 2.99Å
63	E	45.7	Very low	47	Very low	196 Å²	196	132.5 Å²	132.5	92%	0.916	71%	0.712	S	S	*	*			trans	-82.5	27.9	167.5	-70.8	-168.2	155.7	0	0	112.6
64	G	44.3	Very low	46.4	Very low	53 Å²	53	133.1 Å²	133.1	55%	0.546	72%	0.721	S	S	.	*	S	Bend	trans	-94.4	105.3	173.8	0	0	0	0	0	111.3	A62	A62-G64 PolarHBondContact O-N 2.99Å
65	N	39.7	Very low	45.8	Very low	148 Å²	148	138.8 Å²	138.8	79%	0.791	74%	0.741	S	S	*	*			trans	62.9	70.1	153.3	-59.6	-15.5	0	0	0	117.9	Q67	N65-Q67 PolarHBondContact O-N 3.46Å
66	Y	46.6	Very low	45.3	Very low	220 Å²	220	141.6 Å²	141.6	86%	0.863	76%	0.759	S	S	*	*			trans	-92.4	80.6	144.8	-63.8	-75.6	0	0	0	108.2	T68	Y66-T68 PolarHBondContact O-N 3.3Å
67	Q	43.3	Very low	44.5	Very low	165 Å²	165	143.2 Å²	143.2	77%	0.771	77%	0.765	S	S	*	*			trans	-63.9	115.9	156.5	-89.3	176.2	-9.2	0	0	106.7	N65 I69	N65-Q67 PolarHBondContact O-N 3.46Å; Q67-I69 PolarHBondContact O-N 2.93Å
68	T	39.8	Very low	43.9	Very low	137 Å²	137	143 Å²	143	84%	0.84	77%	0.769	S	S	*	*			trans	-55.6	93.2	173.2	-42.7	0	0	0	0	109.7	Y66 S70	Y66-T68 PolarHBondContact O-N 3.3Å; T68-S70 VanDerWaalsContact C-N 3.34Å; T68-S70 PolarHBondContact O-N 3.46Å; T68-S70 VanDerWaalsContact O-N 3.16Å
69	I	44.4	Very low	43.8	Very low	146 Å²	146	142.3 Å²	142.3	75%	0.749	77%	0.765	S	S	*	*			trans	-81.7	91.3	166	-55.8	174.4	0	0	0	105.9	Q67 L71	Q67-I69 PolarHBondContact O-N 2.93Å; I69-L71 HydrophobicContact CG2-CB 4.47Å; I69-L71 HydrophobicContact CG2-CD1 4.3Å; I69-L71 PolarHBondContact O-N 3.46Å
70	S	36.4	Very low	43.3	Very low	105 Å²	105	145 Å²	145	73%	0.734	77%	0.773	S	S	*	*			trans	-71.4	115.4	159	-177.8	0	0	0	0	106.8	T68	T68-S70 VanDerWaalsContact C-N 3.34Å; T68-S70 PolarHBondContact O-N 3.46Å; T68-S70 VanDerWaalsContact O-N 3.16Å
71	L	45.8	Very low	43.1	Very low	142 Å²	142	145.9 Å²	145.9	74%	0.743	78%	0.778	S	S	*	*			trans	-165.3	104.7	161.8	-98.6	147.6	0	0	0	109.7	I69	I69-L71 HydrophobicContact CG2-CB 4.47Å; I69-L71 HydrophobicContact CG2-CD1 4.3Å; I69-L71 PolarHBondContact O-N 3.46Å
72	S	44.5	Very low	43.1	Very low	99 Å²	99	147.3 Å²	147.3	69%	0.692	78%	0.775	S	S	*	*			trans	32.1	128.8	140.4	53.5	0	0	0	0	121	E74	S72-E74 PolarHBondContact O-N 3.05Å
73	D	40.5	Very low	42.9	Very low	170 Å²	170	151 Å²	151	91%	0.909	78%	0.782	S	S	*	*	S	Bend	trans	-40.3	96.1	165.9	-69.6	-44.7	0	0	0	114.3
74	E	45.4	Very low	43.1	Very low	181 Å²	181	148.6 Å²	148.6	85%	0.846	78%	0.775	S	S	*	*			trans	-168	63.6	163.1	-118.3	177.3	-155.3	0	0	111.2	S72	S72-E74 PolarHBondContact O-N 3.05Å
75	Q	45.6	Very low	43.3	Very low	183 Å²	183	150 Å²	150	86%	0.855	78%	0.781	S	S	*	*			trans	-167.9	60.4	161.7	-107.9	158.7	57	0	0	111.7	Y77	Q75-Y77 PolarHBondContact O-N 3.22Å
76	L	41.4	Very low	43.6	Very low	157 Å²	157	149.6 Å²	149.6	82%	0.822	78%	0.779	S	S	*	*			trans	-67.4	124.1	150.1	-70.3	167.1	0	0	0	105.7
77	Y	35.7	Very low	43.9	Very low	211 Å²	211	147.6 Å²	147.6	83%	0.827	78%	0.778	S	S	*	*	S	Bend	trans	85.4	77.3	179.4	-46.4	-74.6	0	0	0	116.7	Q75	Q75-Y77 PolarHBondContact O-N 3.22Å
78	N	38.5	Very low	44.1	Very low	148 Å²	148	147.3 Å²	147.3	79%	0.791	78%	0.781	S	S	*	*				-167.5	163.4	129.2	-110.2	-28.3	0	0	0	112.1
79	T	47.7	Very low	44.5	Very low	101 Å²	101	144.6 Å²	144.6	62%	0.62	77%	0.767	S	S	*	*			trans	85.3	87.5	172.6	76.2	0	0	0	0	117.6
80	D	40.8	Very low	44.8	Very low	133 Å²	133	145.1 Å²	145.1	71%	0.711	77%	0.77	S	S	*	*				49.6	100.4	112.1	-60.2	-37.3	0	0	0	117.2	H82	D80-H82 VanDerWaalsContact C-N 3.27Å; D80-H82 PolarHBondContact O-CD2 2.83Å; D80-H82 VanDerWaalsContact O-CD2 3.28Å; D80-H82 PolarHBondContact O-N 3.11Å
81	N	41	Very low	45.6	Very low	161 Å²	161	147.3 Å²	147.3	86%	0.861	77%	0.766	S	S	*	*			trans	43.1	36.5	139	-73.4	-18.1	0	0	0	118.7	I83	N81-I83 PolarHBondContact O-N 2.91Å
82	H	49.1	Very low	46	Very low	158 Å²	158	146 Å²	146	73%	0.731	77%	0.767	S	S	*	*			trans	-78.3	81.5	160.8	-73.4	-72.5	0	0	0	108.6	D80 L84	D80-H82 VanDerWaalsContact C-N 3.27Å; D80-H82 PolarHBondContact O-CD2 2.83Å; D80-H82 VanDerWaalsContact O-CD2 3.28Å; D80-H82 PolarHBondContact O-N 3.11Å; H82-L84 PolarHBondContact O-N 3.18Å
83	I	45.2	Very low	46.6	Very low	156 Å²	156	150.8 Å²	150.8	80%	0.8	78%	0.775	S	S	*	*			trans	-57.8	97.1	155.3	-62.7	174.8	0	0	0	104.5	N81 A85	N81-I83 PolarHBondContact O-N 2.91Å; I83-A85 PolarHBondContact O-N 2.9Å
84	L	50.1	Low	47.1	Very low	147 Å²	147	146.6 Å²	146.6	77%	0.77	75%	0.753	S	S	*	*			trans	-52.1	96.4	162.2	-84.1	157.7	0	0	0	105	H82 N86	H82-L84 PolarHBondContact O-N 3.18Å; L84-N86 PolarHBondContact O-N 2.87Å
85	A	47.1	Very low	47.5	Very low	82 Å²	82	144.9 Å²	144.9	68%	0.678	76%	0.755	S	S	*	*			trans	-61.9	79.4	159.6	0	0	0	0	0	105.3	I83 Q87	I83-A85 PolarHBondContact O-N 2.9Å; A85-Q87 PolarHBondContact O-N 3.26Å
86	N	47.7	Very low	47.9	Very low	140 Å²	140	139.3 Å²	139.3	75%	0.749	73%	0.731	S	S	*	*			trans	-57.8	82.6	152.5	-91.7	-15.4	0	0	0	104.4	L84 L88	L84-N86 PolarHBondContact O-N 2.87Å; N86-L88 PolarHBondContact O-N 3.44Å
87	Q	51.5	Low	48.6	Very low	177 Å²	177	136.3 Å²	136.3	83%	0.827	72%	0.723	S	S	*	*			trans	-52.7	108.6	168.5	-78.2	-171.8	-3.1	0	0	105.2	A85 S89	A85-Q87 PolarHBondContact O-N 3.26Å; Q87-S89 PolarHBondContact O-N 3.11Å
88	L	48.5	Very low	49.5	Very low	160 Å²	160	136.2 Å²	136.2	84%	0.838	72%	0.721	S	S	*	*			trans	-60.9	88.7	165.4	-72.5	163.8	0	0	0	106.1	N86 I90	N86-L88 PolarHBondContact O-N 3.44Å; L88-I90 VanDerWaalsContact C-N 3.3Å; L88-I90 WeakPolarHBondContact O-CG1 3.38Å; L88-I90 PolarHBondContact O-N 2.98Å
89	S	47.9	Very low	50.3	Low	79 Å²	79	133.9 Å²	133.9	55%	0.552	70%	0.704	S	S	*	*			trans	-63.6	93.8	171.1	156	0	0	0	0	107.6	Q87 F91	Q87-S89 PolarHBondContact O-N 3.11Å; S89-F91 PolarHBondContact O-N 3.18Å
90	I	50.7	Low	50.7	Low	157 Å²	157	134.6 Å²	134.6	81%	0.805	70%	0.701	S	S	*	*			trans	-77	-0.4	173.7	-21.8	178.1	0	0	0	111.3	L88	L88-I90 VanDerWaalsContact C-N 3.3Å; L88-I90 WeakPolarHBondContact O-CG1 3.38Å; L88-I90 PolarHBondContact O-N 2.98Å
91	F	52.6	Low	51.9	Low	151 Å²	151	131 Å²	131	66%	0.662	69%	0.687	S	S	*	*	S	Bend	trans	-85	125.9	-177.5	-69	-79	0	0	0	111.8	S89 K93	S89-F91 PolarHBondContact O-N 3.18Å; F91-K93 PolarHBondContact O-N 3.13Å; F91-K93 VanDerWaalsContact O-N 3.12Å
92	P	53.8	Low	53.4	Low	116 Å²	116	127.6 Å²	127.6	75%	0.753	67%	0.672	S	S	*	*			trans	-69.9	110.6	172.9	26.7	-29.6	0	0	0	109.6	N94	P92-N94 PolarHBondContact O-N 3.42Å
93	K	57.5	Low	54.7	Low	198 Å²	198	125 Å²	125	86%	0.861	67%	0.667	S	S	*	*			trans	-63.5	41	169.6	-78.7	-177.4	171.6	179	0	113.9	F91	F91-K93 PolarHBondContact O-N 3.13Å; F91-K93 VanDerWaalsContact O-N 3.12Å
94	N	52	Low	56.1	Low	83 Å²	83	121.9 Å²	121.9	44%	0.444	65%	0.649	S	S	.	*			trans	-121.6	89.6	175.6	-102.1	-57.7	0	0	0	110.2	P92 D96 K99	P92-N94 PolarHBondContact O-N 3.42Å; N94-D96 PolarHBondContact O-N 2.76Å; N94-K99 PolarHBondContact OD1-NZ 2.9Å
95	T	53.9	Low	57.4	Low	145 Å²	145	119.1 Å²	119.1	89%	0.89	64%	0.635	S	S	*	*			trans	-74.5	17.3	165.8	39.4	0	0	0	0	113	S97	T95-S97 PolarHBondContact O-N 3.4Å; T95-S97 VanDerWaalsContact O-N 3.14Å
96	D	52.6	Low	59	Low	66 Å²	66	123.2 Å²	123.2	35%	0.353	63%	0.633	S	S	.	*			trans	-81.2	96	177.8	-163.3	-8.1	0	0	0	108.9	N94 R98 K99 M100	N94-D96 PolarHBondContact O-N 2.76Å; D96-R98 PolarHBondContact O-N 3.31Å; D96-K99 HydrophobicContact CB-CB 4.2Å; D96-K99 HydrophobicContact CB-CD 4.09Å; D96-K99 HydrophobicContact CB-CG 4.08Å; D96-K99 WeakPolarHBondContact O-CA 3.44Å; D96-K99 WeakPolarHBondContact O-CB 3.47Å; D96-K99 PolarHBondContact O-N 2.94Å; D96-K99 WeakPolarHBondContact OD2-CE 3.48Å; D96-K99 IonicContact OD2-NZ 4Å; D96-M100 PolarHBondContact O-N 2.87Å; D96-M100 VanDerWaalsContact O-N 3.11Å
97	S	55.8	Low	60.6	Low	94 Å²	94	124.7 Å²	124.7	66%	0.657	63%	0.628	S	S	*	*	H	α-helix	trans	-54.3	-26.6	-178.6	60.1	0	0	0	0	112.9	T95 S101	T95-S97 PolarHBondContact O-N 3.4Å; T95-S97 VanDerWaalsContact O-N 3.14Å; S97-S101 PolarHBondContact O-N 3.34Å
98	R	56.4	Low	61.9	Low	209 Å²	209	121.9 Å²	121.9	79%	0.789	61%	0.613	S	S	*	*	H	α-helix	trans	-70.5	-33.4	172.8	-75.1	-176.4	173.3	-170.2	-0.7	113.4	D96 T102	D96-R98 PolarHBondContact O-N 3.31Å; R98-T102 PolarHBondContact O-OG1 3.05Å
99	K	55.5	Low	63.5	Low	99 Å²	99	123.6 Å²	123.6	43%	0.43	61%	0.608	S	S	.	*	H	α-helix	trans	-76.5	-34.3	174.3	-69.4	-176.9	-170.9	167.4	0	112.1	N94 D96 S101 T102 V103	N94-K99 PolarHBondContact OD1-NZ 2.9Å; D96-K99 HydrophobicContact CB-CB 4.2Å; D96-K99 HydrophobicContact CB-CD 4.09Å; D96-K99 HydrophobicContact CB-CG 4.08Å; D96-K99 WeakPolarHBondContact O-CA 3.44Å; D96-K99 WeakPolarHBondContact O-CB 3.47Å; D96-K99 PolarHBondContact O-N 2.94Å; D96-K99 WeakPolarHBondContact OD2-CE 3.48Å; D96-K99 IonicContact OD2-NZ 4Å; K99-S101 VanDerWaalsContact C-N 3.28Å; K99-S101 PolarHBondContact O-N 2.87Å; K99-T102 WeakPolarHBondContact CA-OG1 3.2Å; K99-T102 PolarHBondContact O-N 3.05Å; K99-T102 PolarHBondContact O-OG1 2.95Å; K99-V103 PolarHBondContact O-N 2.97Å; K99-V103 VanDerWaalsContact O-N 3.11Å
100	M	55.4	Low	65.3	Low	115 Å²	115	127.1 Å²	127.1	57%	0.567	61%	0.61	S	S	*	*	H	α-helix	trans	-60.5	-41.7	175	-153.4	165.6	-84.1	0	0	110.6	D96 T102 V103 E104	D96-M100 PolarHBondContact O-N 2.87Å; D96-M100 VanDerWaalsContact O-N 3.11Å; M100-T102 PolarHBondContact O-N 3.15Å; M100-V103 PolarHBondContact O-N 2.93Å; M100-E104 WeakPolarHBondContact O-CB 3.14Å; M100-E104 PolarHBondContact O-N 2.98Å
101	S	66.2	Low	66.8	Low	59 Å²	59	127.6 Å²	127.6	41%	0.413	60%	0.601	S	S	.	*	H	α-helix	trans	-56.4	-43.9	172.4	165.5	0	0	0	0	113.6	S97 K99 N105	S97-S101 PolarHBondContact O-N 3.34Å; K99-S101 VanDerWaalsContact C-N 3.28Å; K99-S101 PolarHBondContact O-N 2.87Å; S101-N105 WeakPolarHBondContact O-CB 3.37Å; S101-N105 PolarHBondContact O-N 3.44Å; S101-N105 PolarHBondContact O-ND2 3.1Å; S101-N105 PolarHBondContact OG-ND2 3.34Å
102	T	73	Confident	68.4	Low	89 Å²	89	126.5 Å²	126.5	55%	0.546	60%	0.596	S	S	.	*	H	α-helix	trans	-71.8	-41.9	-178.5	26.3	0	0	0	0	112.8	R98 K99 M100 R106	R98-T102 PolarHBondContact O-OG1 3.05Å; K99-T102 WeakPolarHBondContact CA-OG1 3.2Å; K99-T102 PolarHBondContact O-N 3.05Å; K99-T102 PolarHBondContact O-OG1 2.95Å; M100-T102 PolarHBondContact O-N 3.15Å; T102-R106 WeakPolarHBondContact O-CB 3.27Å; T102-R106 PolarHBondContact O-N 2.79Å
103	V	74.8	Confident	69.7	Low	102 Å²	102	125.2 Å²	125.2	62%	0.618	59%	0.587	S	S	*	*	H	α-helix	trans	-64.9	-44.2	176.1	176.5	0	0	0	0	110.5	K99 M100 R106 R107	K99-V103 PolarHBondContact O-N 2.97Å; K99-V103 VanDerWaalsContact O-N 3.11Å; M100-V103 PolarHBondContact O-N 2.93Å; V103-R106 WeakPolarHBondContact O-CB 3.21Å; V103-R106 PolarHBondContact O-N 2.8Å; V103-R107 PolarHBondContact O-N 3.41Å
104	E	74.9	Confident	70.8	Confident	91 Å²	91	120.4 Å²	120.4	43%	0.425	57%	0.568	S	S	.	*	H	α-helix	trans	-68.8	-39.8	179.8	-161.1	178.5	144	0	0	112.1	M100 R106 R107 K108	M100-E104 WeakPolarHBondContact O-CB 3.14Å; M100-E104 PolarHBondContact O-N 2.98Å; E104-R106 VanDerWaalsContact C-N 3.3Å; E104-R106 PolarHBondContact O-N 3.2Å; E104-R107 WeakPolarHBondContact O-CB 3.46Å; E104-R107 PolarHBondContact O-N 2.87Å; E104-R107 VanDerWaalsContact O-N 3.15Å; E104-K108 WeakPolarHBondContact O-CB 3.4Å; E104-K108 WeakPolarHBondContact O-CG 3.43Å; E104-K108 PolarHBondContact O-N 3.2Å; E104-K108 WeakPolarHBondContact OE1-CE 3.46Å; E104-K108 IonicContact OE1-NZ 2.76Å; E104-K108 PolarHBondContact OE1-NZ 3Å
105	N	77.4	Confident	72.1	Confident	90 Å²	90	119 Å²	119	48%	0.481	57%	0.568	S	S	.	*	H	α-helix	trans	-60.6	-40.4	171.8	-77.2	-32.4	0	0	0	111.6	S101 R107 R109	S101-N105 WeakPolarHBondContact O-CB 3.37Å; S101-N105 PolarHBondContact O-N 3.44Å; S101-N105 PolarHBondContact O-ND2 3.1Å; S101-N105 PolarHBondContact OG-ND2 3.34Å; N105-R107 VanDerWaalsContact C-N 3.34Å; N105-R109 WeakPolarHBondContact O-CB 3.44Å; N105-R109 PolarHBondContact O-N 3.12Å
106	R	81.6	Confident	73.2	Confident	167 Å²	167	120 Å²	120	63%	0.63	56%	0.556	S	S	*	*	H	α-helix	trans	-64.7	-39.3	175	-164.3	178	-168.5	-175.1	3.2	111.5	T102 V103 E104 R110	T102-R106 WeakPolarHBondContact O-CB 3.27Å; T102-R106 PolarHBondContact O-N 2.79Å; V103-R106 WeakPolarHBondContact O-CB 3.21Å; V103-R106 PolarHBondContact O-N 2.8Å; E104-R106 VanDerWaalsContact C-N 3.3Å; E104-R106 PolarHBondContact O-N 3.2Å; R106-R110 WeakPolarHBondContact O-CG 3.5Å; R106-R110 PolarHBondContact O-N 3.08Å
107	R	80.8	Confident	74.4	Confident	171 Å²	171	120.9 Å²	120.9	65%	0.645	57%	0.572	S	S	*	*	H	α-helix	trans	-65.2	-51	176.1	-160.8	178.1	-160.1	164.8	3.6	111.1	V103 E104 N105 R109 R110 W111	V103-R107 PolarHBondContact O-N 3.41Å; E104-R107 WeakPolarHBondContact O-CB 3.46Å; E104-R107 PolarHBondContact O-N 2.87Å; E104-R107 VanDerWaalsContact O-N 3.15Å; N105-R107 VanDerWaalsContact C-N 3.34Å; R107-R109 VanDerWaalsContact C-N 3.29Å; R107-R109 PolarHBondContact O-N 3.07Å; R107-R110 WeakPolarHBondContact O-CB 3.37Å; R107-R110 PolarHBondContact O-N 3.33Å; R107-R110 VanDerWaalsContact O-N 3.1Å; R107-W111 VanDerWaalsContact O-CD1 3.29Å; R107-W111 PolarHBondContact O-N 3.17Å
108	K	79.7	Confident	75.4	Confident	119 Å²	119	123.8 Å²	123.8	52%	0.517	58%	0.577	S	S	.	*	H	α-helix	trans	-55.1	-43.1	175.2	-75.3	175.3	-179.2	161.5	0	111.5	E104 W111 K112	E104-K108 WeakPolarHBondContact O-CB 3.4Å; E104-K108 WeakPolarHBondContact O-CG 3.43Å; E104-K108 PolarHBondContact O-N 3.2Å; E104-K108 WeakPolarHBondContact OE1-CE 3.46Å; E104-K108 IonicContact OE1-NZ 2.76Å; E104-K108 PolarHBondContact OE1-NZ 3Å; K108-W111 PolarHBondContact O-N 3.22Å; K108-K112 WeakPolarHBondContact O-CB 3.43Å; K108-K112 PolarHBondContact O-N 2.93Å
109	R	82	Confident	76.1	Confident	195 Å²	195	119.2 Å²	119.2	74%	0.736	57%	0.567	S	S	*	*	H	α-helix	trans	-61.5	-46	175.3	-173.1	175.6	177.2	174	-0.3	112.2	N105 R107 K112 T113	N105-R109 WeakPolarHBondContact O-CB 3.44Å; N105-R109 PolarHBondContact O-N 3.12Å; R107-R109 VanDerWaalsContact C-N 3.29Å; R107-R109 PolarHBondContact O-N 3.07Å; R109-K112 PolarHBondContact O-N 3.15Å; R109-T113 PolarHBondContact O-N 3.01Å; R109-T113 PolarHBondContact O-OG1 3.07Å
110	R	83.9	Confident	76.6	Confident	154 Å²	154	119.3 Å²	119.3	58%	0.581	58%	0.578	S	S	*	*	H	α-helix	trans	-61.2	-46.2	177.1	-77.2	-179.7	173.6	-175	-2.2	112.1	R106 R107 K112 T113 M114	R106-R110 WeakPolarHBondContact O-CG 3.5Å; R106-R110 PolarHBondContact O-N 3.08Å; R107-R110 WeakPolarHBondContact O-CB 3.37Å; R107-R110 PolarHBondContact O-N 3.33Å; R107-R110 VanDerWaalsContact O-N 3.1Å; R110-K112 PolarHBondContact O-N 3.39Å; R110-T113 PolarHBondContact O-N 3.35Å; R110-M114 PolarHBondContact O-N 3.16Å
111	W	83.3	Confident	77.1	Confident	166 Å²	166	123.1 Å²	123.1	63%	0.629	59%	0.591	S	S	*	*	H	α-helix	trans	-59.2	-46.4	176.1	-84.8	102.4	0	0	0	112.2	R107 K108 T113 M114 A115	R107-W111 VanDerWaalsContact O-CD1 3.29Å; R107-W111 PolarHBondContact O-N 3.17Å; K108-W111 PolarHBondContact O-N 3.22Å; W111-T113 VanDerWaalsContact C-N 3.29Å; W111-T113 PolarHBondContact O-N 3.49Å; W111-M114 HydrophobicContact CD2-CE 4.4Å; W111-M114 PolarHBondContact O-N 3.42Å; W111-A115 WeakPolarHBondContact O-CB 3.32Å; W111-A115 PolarHBondContact O-N 2.95Å
112	K	85.2	Confident	76.6	Confident	129 Å²	129	124.6 Å²	124.6	56%	0.561	60%	0.598	S	S	*	*	H	α-helix	trans	-60.7	-37.7	176.6	-170.6	172.8	-176.2	171.9	0	112.4	K108 R109 R110 R116	K108-K112 WeakPolarHBondContact O-CB 3.43Å; K108-K112 PolarHBondContact O-N 2.93Å; R109-K112 PolarHBondContact O-N 3.15Å; R110-K112 PolarHBondContact O-N 3.39Å; K112-R116 WeakPolarHBondContact O-CB 3.42Å; K112-R116 VanDerWaalsContact O-CG 3.3Å; K112-R116 WeakPolarHBondContact O-CG 3.44Å; K112-R116 PolarHBondContact O-N 2.75Å; K112-R116 VanDerWaalsContact O-N 3.15Å
113	T	81.4	Confident	75.3	Confident	89 Å²	89	128.3 Å²	128.3	55%	0.546	61%	0.609	S	S	.	*	H	α-helix	trans	-67.3	-44.3	174.9	-63.6	0	0	0	0	111.8	R109 R110 W111 R116 A117	R109-T113 PolarHBondContact O-N 3.01Å; R109-T113 PolarHBondContact O-OG1 3.07Å; R110-T113 PolarHBondContact O-N 3.35Å; W111-T113 VanDerWaalsContact C-N 3.29Å; W111-T113 PolarHBondContact O-N 3.49Å; T113-R116 PolarHBondContact O-N 3.39Å; T113-A117 PolarHBondContact O-N 2.82Å; T113-A117 VanDerWaalsContact O-N 3.12Å
114	M	80.9	Confident	74	Confident	97 Å²	97	133.7 Å²	133.7	48%	0.478	62%	0.62	S	S	.	*	H	α-helix	trans	-63.5	-46.2	177.1	-73.1	-169.3	-73.2	0	0	111.8	R110 W111 R116 A117 M118	R110-M114 PolarHBondContact O-N 3.16Å; W111-M114 HydrophobicContact CD2-CE 4.4Å; W111-M114 PolarHBondContact O-N 3.42Å; M114-R116 VanDerWaalsContact C-N 3.3Å; M114-R116 PolarHBondContact O-N 2.71Å; M114-A117 PolarHBondContact O-N 3.07Å; M114-M118 WeakPolarHBondContact O-CG 3.3Å; M114-M118 PolarHBondContact O-N 3.23Å; M114-M118 VanDerWaalsContact O-N 3.08Å
115	A	78.9	Confident	72.6	Confident	53 Å²	53	141.4 Å²	141.4	44%	0.438	65%	0.652	S	S	.	*	H	α-helix	trans	-57.1	-43.2	176.8	0	0	0	0	0	112	W111 A117 M118 I119	W111-A115 WeakPolarHBondContact O-CB 3.32Å; W111-A115 PolarHBondContact O-N 2.95Å; A115-A117 VanDerWaalsContact C-N 3.32Å; A115-A117 PolarHBondContact O-N 3.19Å; A115-M118 PolarHBondContact O-N 3.02Å; A115-I119 WeakPolarHBondContact O-CG1 3.5Å; A115-I119 PolarHBondContact O-N 3.11Å; A115-I119 VanDerWaalsContact O-N 3.16Å
116	R	78.1	Confident	72.4	Confident	166 Å²	166	144 Å²	144	63%	0.626	66%	0.661	S	S	*	*	H	α-helix	trans	-65.2	-32.1	176.4	-76.7	175.5	173.1	-169.7	-5.5	113.9	K112 T113 M114 M118	K112-R116 WeakPolarHBondContact O-CB 3.42Å; K112-R116 VanDerWaalsContact O-CG 3.3Å; K112-R116 WeakPolarHBondContact O-CG 3.44Å; K112-R116 PolarHBondContact O-N 2.75Å; K112-R116 VanDerWaalsContact O-N 3.15Å; T113-R116 PolarHBondContact O-N 3.39Å; M114-R116 VanDerWaalsContact C-N 3.3Å; M114-R116 PolarHBondContact O-N 2.71Å; R116-M118 VanDerWaalsContact C-N 3.3Å
117	A	78	Confident	71.9	Confident	84 Å²	84	142.7 Å²	142.7	69%	0.694	66%	0.662	S	S	*	*	H	α-helix	trans	-74.5	-25.1	176.6	0	0	0	0	0	112.3	T113 M114 A115	T113-A117 PolarHBondContact O-N 2.82Å; T113-A117 VanDerWaalsContact O-N 3.12Å; M114-A117 PolarHBondContact O-N 3.07Å; A115-A117 VanDerWaalsContact C-N 3.32Å; A115-A117 PolarHBondContact O-N 3.19Å
118	M	76.5	Confident	71.4	Confident	155 Å²	155	141.2 Å²	141.2	76%	0.764	66%	0.663	S	S	*	*	H	α-helix	trans	-83.7	-21.8	177.4	-69.8	175.6	166.1	0	0	113.5	M114 A115 R116 P120	M114-M118 WeakPolarHBondContact O-CG 3.3Å; M114-M118 PolarHBondContact O-N 3.23Å; M114-M118 VanDerWaalsContact O-N 3.08Å; A115-M118 PolarHBondContact O-N 3.02Å; R116-M118 VanDerWaalsContact C-N 3.3Å; M118-P120 WeakPolarHBondContact O-CD 3.45Å
119	I	70.4	Confident	70.9	Confident	114 Å²	114	142.5 Å²	142.5	59%	0.585	67%	0.672	S	S	*	*	S	Bend	trans	-65.7	119.3	170.6	-64	166.8	0	0	0	106.9	A115 K121	A115-I119 WeakPolarHBondContact O-CG1 3.5Å; A115-I119 PolarHBondContact O-N 3.11Å; A115-I119 VanDerWaalsContact O-N 3.16Å; I119-K121 PolarHBondContact O-N 2.87Å
120	P	66	Low	70.2	Confident	100 Å²	100	139.2 Å²	139.2	65%	0.649	67%	0.668	S	S	*	*			trans	-53.2	123.1	173.8	-20.9	31.2	0	0	0	107.2	M118 T122	M118-P120 WeakPolarHBondContact O-CD 3.45Å; P120-T122 PolarHBondContact O-N 2.96Å
121	K	65.7	Low	69.3	Low	195 Å²	195	138.2 Å²	138.2	85%	0.848	67%	0.674	S	S	*	*			trans	-66.6	82.5	166.5	-67.7	-176.6	-177.8	178.4	0	105.5	I119 Q123	I119-K121 PolarHBondContact O-N 2.87Å; K121-Q123 PolarHBondContact O-N 3.13Å
122	T	55.2	Low	68.3	Low	91 Å²	91	136.2 Å²	136.2	56%	0.558	68%	0.677	S	S	*	*			trans	-52	114.8	161.4	42	0	0	0	0	104.2	P120 Y124	P120-T122 PolarHBondContact O-N 2.96Å; T122-Y124 WeakPolarHBondContact O-CD2 3.42Å; T122-Y124 PolarHBondContact O-N 3.26Å; T122-Y124 WeakPolarHBondContact OG1-CE2 3.48Å
123	Q	47	Very low	67	Low	166 Å²	166	136.8 Å²	136.8	78%	0.776	69%	0.686	S	S	*	*			trans	-59.3	91.2	175.2	-75.9	167.9	-35.2	0	0	106.2	K121 F125	K121-Q123 PolarHBondContact O-N 3.13Å; Q123-F125 HydrophobicContact CB-CD2 4.16Å; Q123-F125 PolarHBondContact O-N 3.4Å
124	Y	48	Very low	65.8	Low	216 Å²	216	140.8 Å²	140.8	85%	0.847	70%	0.697	S	S	*	*			trans	-73	81.5	155.5	-71.9	-80.1	0	0	0	105.3	T122	T122-Y124 WeakPolarHBondContact O-CD2 3.42Å; T122-Y124 PolarHBondContact O-N 3.26Å; T122-Y124 WeakPolarHBondContact OG1-CE2 3.48Å
125	F	44.5	Very low	64.4	Low	252 Å²	252	144.7 Å²	144.7	100%	1.105	72%	0.717	S	S	*	*			trans	-85.4	0	145	-84.2	-75.6	0	0	0	107.7	Q123	Q123-F125 HydrophobicContact CB-CD2 4.16Å; Q123-F125 PolarHBondContact O-N 3.4Å

Retrieved 125 of 125 residues in 139.1 ms (Link to these results)

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