A0A5K4F4Y4_SCHMA Loading...

Replicase polyprotein 1a

AlphaFold DB , UniProt , Accession A0A5K4F4Y4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 138 aa.

						>A0A5K4F4Y4_SCHMA|A0A5K4F4Y4
MQSLPPISLNGTGNNMDEEYNEFIIFRCVSSSAHMIEYDADEVEFDGGIDVDDVVADVVVDVNDDDVVDDDDDDDGDHGVDDDLYDDVDDVNDDEDVDENVEFEGGCGGIDDHVDDHNDDDYIDDNDDDVVEYIVSEM
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.2	Very low	31.9	Very low	236 Å²	236	138.3 Å²	138.3	100%	1.163	79%	0.79	S	S	*	*				0	144	0	-71.8	-172.9	-171.5	0	0	107.5
2	Q	26.7	Very low	31.8	Very low	198 Å²	198	138.4 Å²	138.4	93%	0.925	80%	0.796	S	S	*	*			trans	90.7	83.3	-176.4	-51.1	-172.2	57.3	0	0	113.7
3	S	26.6	Very low	31.6	Very low	116 Å²	116	132.9 Å²	132.9	81%	0.811	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-72.2	131.7	159.7	61.3	0	0	0	0	107.7
4	L	29.1	Very low	31.6	Very low	160 Å²	160	133.4 Å²	133.4	84%	0.838	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-56.9	139.7	171.5	-75.1	157.2	0	0	0	109.2
5	P	34.7	Very low	31.6	Very low	102 Å²	102	135.7 Å²	135.7	66%	0.662	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-58.1	139.6	171.4	24.4	-31	0	0	0	108.8	I7	P5-I7 PolarHBondContact O-N 3.28Å
6	P	36.9	Very low	31.6	Very low	121 Å²	121	136.1 Å²	136.1	79%	0.786	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-54.2	128.5	173.5	22.9	-31.8	0	0	0	108.5	S8	P6-S8 VanDerWaalsContact C-N 3.29Å; P6-S8 PolarHBondContact O-N 2.93Å
7	I	36.8	Very low	31.7	Very low	154 Å²	154	135.4 Å²	135.4	79%	0.79	78%	0.779	S	S	*	*			trans	-62.7	102.7	167.5	-83.5	171.1	0	0	0	105.7	P5 L9	P5-I7 PolarHBondContact O-N 3.28Å; I7-L9 HydrophobicContact CG2-CD2 4.33Å; I7-L9 HydrophobicContact CG2-CG 4.04Å; I7-L9 PolarHBondContact O-N 3.04Å
8	S	31	Very low	31.9	Very low	80 Å²	80	138.1 Å²	138.1	56%	0.559	78%	0.784	S	S	*	*			trans	-73.9	101	167	-174.1	0	0	0	0	105.3	P6 N10	P6-S8 VanDerWaalsContact C-N 3.29Å; P6-S8 PolarHBondContact O-N 2.93Å; S8-N10 PolarHBondContact O-N 3.49Å; S8-N10 PolarHBondContact OG-ND2 2.96Å; S8-N10 VanDerWaalsContact OG-ND2 3.17Å
9	L	35.9	Very low	32	Very low	148 Å²	148	140.2 Å²	140.2	78%	0.775	79%	0.786	S	S	*	*			trans	-69.4	63.8	160.1	-71.9	166	0	0	0	108.2	I7 G11	I7-L9 HydrophobicContact CG2-CD2 4.33Å; I7-L9 HydrophobicContact CG2-CG 4.04Å; I7-L9 PolarHBondContact O-N 3.04Å; L9-G11 PolarHBondContact O-N 3.02Å; L9-G11 VanDerWaalsContact O-N 3.13Å
10	N	33.2	Very low	32.1	Very low	150 Å²	150	142.5 Å²	142.5	80%	0.802	78%	0.783	S	S	*	*			trans	-79.9	61.3	152.1	-81.3	-23.5	0	0	0	106.4	S8	S8-N10 PolarHBondContact O-N 3.49Å; S8-N10 PolarHBondContact OG-ND2 2.96Å; S8-N10 VanDerWaalsContact OG-ND2 3.17Å
11	G	32	Very low	32.1	Very low	56 Å²	56	142 Å²	142	58%	0.577	78%	0.78	S	S	*	*			trans	-111.6	90.9	172.3	0	0	0	0	0	106.7	L9 G13	L9-G11 PolarHBondContact O-N 3.02Å; L9-G11 VanDerWaalsContact O-N 3.13Å; G11-G13 PolarHBondContact O-N 3.33Å; G11-G13 VanDerWaalsContact O-N 3.16Å
12	T	30.1	Very low	32.4	Very low	140 Å²	140	140.2 Å²	140.2	86%	0.859	77%	0.768	S	S	*	*			trans	-26.6	112.3	158.3	20.5	0	0	0	0	113.1	N14	T12-N14 PolarHBondContact O-N 3.32Å
13	G	29.5	Very low	32.8	Very low	67 Å²	67	137.3 Å²	137.3	69%	0.691	75%	0.753	S	S	*	*			trans	50.3	52.2	133.5	0	0	0	0	0	118.6	G11	G11-G13 PolarHBondContact O-N 3.33Å; G11-G13 VanDerWaalsContact O-N 3.16Å
14	N	31.6	Very low	33.8	Very low	140 Å²	140	136.6 Å²	136.6	75%	0.749	74%	0.739	S	S	*	*			trans	-102.1	99.3	149.3	-78.2	-7.9	0	0	0	107.5	T12 M16	T12-N14 PolarHBondContact O-N 3.32Å; N14-M16 PolarHBondContact O-N 3.29Å
15	N	32.1	Very low	34.4	Very low	167 Å²	167	136.8 Å²	136.8	89%	0.893	74%	0.739	S	S	*	*			trans	-62.7	87.7	158.2	-60.1	-33.5	0	0	0	106.3
16	M	30.8	Very low	34.7	Very low	143 Å²	143	136.4 Å²	136.4	70%	0.704	73%	0.727	S	S	*	*			trans	-121	108	172.6	-105.9	179.2	169.5	0	0	107.8	N14	N14-M16 PolarHBondContact O-N 3.29Å
17	D	33.2	Very low	34.5	Very low	124 Å²	124	140.5 Å²	140.5	66%	0.663	73%	0.727	S	S	*	*			trans	49.4	124.3	147.7	-54.5	-25	0	0	0	118.9	E19 Y20	D17-E19 PolarHBondContact O-N 2.92Å; D17-Y20 PolarHBondContact O-N 3.41Å
18	E	35.6	Very low	34.2	Very low	184 Å²	184	138.9 Å²	138.9	86%	0.86	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-58.1	-3.3	-173.5	-66.3	174.1	153.3	0	0	114.6	Y20	E18-Y20 VanDerWaalsContact C-N 3.26Å; E18-Y20 PolarHBondContact O-N 3.44Å
19	E	34.7	Very low	34.2	Very low	178 Å²	178	138.9 Å²	138.9	83%	0.832	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-67.5	-23.8	172.8	-108.8	178.6	173.7	0	0	113.3	D17 N21	D17-E19 PolarHBondContact O-N 2.92Å; E19-N21 PolarHBondContact O-N 2.92Å
20	Y	34.4	Very low	34.3	Very low	186 Å²	186	136.3 Å²	136.3	73%	0.729	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-93.4	13.8	-175.8	-76.4	-80.4	0	0	0	115.1	D17 E18 E22 F23	D17-Y20 PolarHBondContact O-N 3.41Å; E18-Y20 VanDerWaalsContact C-N 3.26Å; E18-Y20 PolarHBondContact O-N 3.44Å; Y20-E22 PolarHBondContact O-N 3.35Å; Y20-F23 VanDerWaalsContact O-CD2 3.23Å; Y20-F23 WeakPolarHBondContact O-CD2 3.45Å; Y20-F23 WeakPolarHBondContact O-CE2 3.32Å
21	N	31	Very low	34.5	Very low	132 Å²	132	135.1 Å²	135.1	71%	0.706	72%	0.723	S	S	*	*			trans	-84.7	-2.8	-169.6	-124.4	6.6	0	0	0	116.2	E19 F23	E19-N21 PolarHBondContact O-N 2.92Å; N21-F23 PolarHBondContact O-N 3.04Å
22	E	35.1	Very low	34.8	Very low	198 Å²	198	136.2 Å²	136.2	93%	0.925	72%	0.721	S	S	*	*			trans	-104.7	73	173.2	-152.5	165.1	-168.5	0	0	111.9	Y20	Y20-E22 PolarHBondContact O-N 3.35Å
23	F	34.2	Very low	34.8	Very low	137 Å²	137	133.4 Å²	133.4	60%	0.601	71%	0.712	S	S	*	*			trans	-61.5	153	164.6	-73.4	-108.5	0	0	0	110.5	Y20 N21	Y20-F23 VanDerWaalsContact O-CD2 3.23Å; Y20-F23 WeakPolarHBondContact O-CD2 3.45Å; Y20-F23 WeakPolarHBondContact O-CE2 3.32Å; N21-F23 PolarHBondContact O-N 3.04Å
24	I	48.6	Very low	35.1	Very low	102 Å²	102	138.9 Å²	138.9	52%	0.523	72%	0.719	S	S	.	*				167	127.1	108.3	-77.8	152.7	0	0	0	110	F26 Y38	I24-F26 HydrophobicContact CG2-CD2 3.47Å; I24-F26 VanDerWaalsContact CG2-CD2 3.47Å; I24-F26 HydrophobicContact CG2-CE2 3.31Å; I24-F26 PolarHBondContact O-N 2.77Å; I24-Y38 HydrophobicContact CB-CE1 4.17Å; I24-Y38 WeakPolarHBondContact CB-OH 3.17Å; I24-Y38 HydrophobicContact CD1-CD1 4.01Å; I24-Y38 HydrophobicContact CD1-CE1 3.25Å; I24-Y38 HydrophobicContact CG1-CE1 4.29Å; I24-Y38 HydrophobicContact CG2-CE1 4.25Å; I24-Y38 HydrophobicContact CG2-CE2 4.12Å; I24-Y38 WeakPolarHBondContact CG2-OH 2.98Å
25	I	40.8	Very low	35.2	Very low	164 Å²	164	140.3 Å²	140.3	84%	0.841	72%	0.723	S	S	*	*			trans	-68.6	108.8	-178.8	-62	158.8	0	0	0	110.1
26	F	41.9	Very low	35.7	Very low	94 Å²	94	138.4 Å²	138.4	41%	0.412	71%	0.712	S	S	.	*			trans	-133.1	105.3	164.6	-85.8	-82.6	0	0	0	112.5	I24 I36 Y38	I24-F26 HydrophobicContact CG2-CD2 3.47Å; I24-F26 VanDerWaalsContact CG2-CD2 3.47Å; I24-F26 HydrophobicContact CG2-CE2 3.31Å; I24-F26 PolarHBondContact O-N 2.77Å; F26-I36 HydrophobicContact CE1-CB 3.53Å; F26-I36 HydrophobicContact CE1-CG1 4.45Å; F26-I36 HydrophobicContact CE1-CG2 4.45Å; F26-I36 WeakPolarHBondContact CE1-O 3.01Å; F26-I36 HydrophobicContact CZ-CB 3.5Å; F26-I36 VanDerWaalsContact CZ-CB 3.5Å; F26-I36 HydrophobicContact CZ-CG2 3.92Å; F26-I36 WeakPolarHBondContact CZ-O 3.12Å; F26-Y38 HydrophobicContact CD2-CD2 4.47Å; F26-Y38 AromaticContact CD2-CE2 3.46Å; F26-Y38 HydrophobicContact CD2-CE2 3.46Å; F26-Y38 VanDerWaalsContact CD2-CE2 3.46Å; F26-Y38 AromaticContact CE2-CD2 3.83Å; F26-Y38 HydrophobicContact CE2-CD2 3.83Å; F26-Y38 AromaticContact CE2-CE2 3.14Å; F26-Y38 HydrophobicContact CE2-CE2 3.14Å; F26-Y38 AromaticContact CE2-CZ 3.85Å; F26-Y38 HydrophobicContact CZ-CD2 4.33Å; F26-Y38 HydrophobicContact CZ-CE2 4.03Å
27	R	32.1	Very low	35.8	Very low	207 Å²	207	139.9 Å²	139.9	78%	0.781	72%	0.717	S	S	*	*				149.6	75.8	128.4	-168.6	168.6	-172.3	152.3	-0.6	110.4
28	C	29.8	Very low	36.2	Very low	119 Å²	119	140.8 Å²	140.8	80%	0.804	71%	0.712	S	S	*	*			trans	-87.2	120.4	153.6	-103.6	0	0	0	0	108.9
29	V	31.8	Very low	36.4	Very low	80 Å²	80	138.6 Å²	138.6	49%	0.485	71%	0.707	S	S	.	*			trans	78.4	97.5	152.2	-153.4	0	0	0	0	119	S32	V29-S32 CarbonylContact O-C 3.48Å; V29-S32 VanDerWaalsContact O-O 3.06Å
30	S	37.4	Very low	37	Very low	95 Å²	95	134.2 Å²	134.2	66%	0.664	70%	0.701	S	S	*	*	S	Bend	trans	-113.4	85.7	137.3	62.6	0	0	0	0	107.6
31	S	38.8	Very low	37.6	Very low	125 Å²	125	132.2 Å²	132.2	87%	0.874	70%	0.703	S	S	*	*	S	Bend		-107.9	11.8	99.3	56.6	0	0	0	0	116.4
32	S	36.7	Very low	38	Very low	79 Å²	79	134.9 Å²	134.9	55%	0.552	71%	0.711	S	S	*	*	S	Bend	trans	-155.1	99.2	166.6	55.3	0	0	0	0	110.9	V29	V29-S32 CarbonylContact O-C 3.48Å; V29-S32 VanDerWaalsContact O-O 3.06Å
33	A	30.4	Very low	38.7	Very low	80 Å²	80	130.7 Å²	130.7	66%	0.661	70%	0.698	S	S	*	*			trans	-53.7	130.7	-174.9	0	0	0	0	0	114.8
34	H	36.5	Very low	39	Very low	183 Å²	183	133.2 Å²	133.2	85%	0.847	71%	0.712	S	S	*	*			trans	-150.5	119.8	148.3	-76.1	-67.1	0	0	0	109.4
35	M	33.5	Very low	38.9	Very low	169 Å²	169	137.5 Å²	137.5	83%	0.833	73%	0.728	S	S	*	*			trans	-93.1	146.6	177.3	-178.2	-177.6	-77.8	0	0	108.6
36	I	43.1	Very low	39.4	Very low	127 Å²	127	137.9 Å²	137.9	65%	0.651	73%	0.731	S	S	*	*			trans	-123.1	135.2	170.9	-59.7	167.6	0	0	0	105.3	F26	F26-I36 HydrophobicContact CE1-CB 3.53Å; F26-I36 HydrophobicContact CE1-CG1 4.45Å; F26-I36 HydrophobicContact CE1-CG2 4.45Å; F26-I36 WeakPolarHBondContact CE1-O 3.01Å; F26-I36 HydrophobicContact CZ-CB 3.5Å; F26-I36 VanDerWaalsContact CZ-CB 3.5Å; F26-I36 HydrophobicContact CZ-CG2 3.92Å; F26-I36 WeakPolarHBondContact CZ-O 3.12Å
37	E	33	Very low	39.4	Very low	174 Å²	174	136.5 Å²	136.5	81%	0.813	74%	0.743	S	S	*	*			trans	-96.2	146.2	-170.9	-67.9	170.9	173.7	0	0	111
38	Y	40.8	Very low	40	Very low	143 Å²	143	130 Å²	130	56%	0.561	74%	0.741	S	S	*	*			trans	-96.4	143.3	171.1	-80.9	-109	0	0	0	109.7	I24 F26	I24-Y38 HydrophobicContact CB-CE1 4.17Å; I24-Y38 WeakPolarHBondContact CB-OH 3.17Å; I24-Y38 HydrophobicContact CD1-CD1 4.01Å; I24-Y38 HydrophobicContact CD1-CE1 3.25Å; I24-Y38 HydrophobicContact CG1-CE1 4.29Å; I24-Y38 HydrophobicContact CG2-CE1 4.25Å; I24-Y38 HydrophobicContact CG2-CE2 4.12Å; I24-Y38 WeakPolarHBondContact CG2-OH 2.98Å; F26-Y38 HydrophobicContact CD2-CD2 4.47Å; F26-Y38 AromaticContact CD2-CE2 3.46Å; F26-Y38 HydrophobicContact CD2-CE2 3.46Å; F26-Y38 VanDerWaalsContact CD2-CE2 3.46Å; F26-Y38 AromaticContact CE2-CD2 3.83Å; F26-Y38 HydrophobicContact CE2-CD2 3.83Å; F26-Y38 AromaticContact CE2-CE2 3.14Å; F26-Y38 HydrophobicContact CE2-CE2 3.14Å; F26-Y38 AromaticContact CE2-CZ 3.85Å; F26-Y38 HydrophobicContact CZ-CD2 4.33Å; F26-Y38 HydrophobicContact CZ-CE2 4.03Å
39	D	39.3	Very low	41	Very low	139 Å²	139	132.2 Å²	132.2	74%	0.743	74%	0.743	S	S	*	*			trans	-113.2	104.1	170.6	-157.6	-13.1	0	0	0	107.8	D41	D39-D41 VanDerWaalsContact C-N 3.32Å
40	A	46.9	Very low	41.7	Very low	86 Å²	86	134.9 Å²	134.9	71%	0.711	76%	0.755	S	S	*	*			trans	-92.3	8.9	-172	0	0	0	0	0	112.8	E42	A40-E42 VanDerWaalsContact C-N 3.32Å; A40-E42 PolarHBondContact O-N 3.48Å
41	D	48.7	Very low	42.4	Very low	144 Å²	144	136.7 Å²	136.7	77%	0.77	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	2.4	-164.7	-69.9	-9.9	0	0	0	114.7	D39	D39-D41 VanDerWaalsContact C-N 3.32Å
42	E	39.2	Very low	42.9	Very low	188 Å²	188	138 Å²	138	88%	0.879	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.4	37.7	-173	-69.2	-162.5	165.3	0	0	116.2	A40	A40-E42 VanDerWaalsContact C-N 3.32Å; A40-E42 PolarHBondContact O-N 3.48Å
43	V	48.6	Very low	43.4	Very low	109 Å²	109	141.4 Å²	141.4	66%	0.661	77%	0.771	S	S	*	*			trans	-122.9	91.7	168.9	-165.7	0	0	0	0	111.4	F45	V43-F45 HydrophobicContact CG1-CD2 4.12Å; V43-F45 HydrophobicContact CG1-CE2 3.64Å; V43-F45 HydrophobicContact CG1-CZ 4.2Å
44	E	41.1	Very low	44.2	Very low	191 Å²	191	143.5 Å²	143.5	89%	0.893	78%	0.775	S	S	*	*			trans	-83.6	118.8	170.6	-76.3	-174.4	153.8	0	0	110.6
45	F	45.7	Very low	45	Very low	192 Å²	192	141.2 Å²	141.2	84%	0.842	77%	0.773	S	S	*	*			trans	-94.7	95.2	170.5	-75.6	-93.3	0	0	0	109.9	V43	V43-F45 HydrophobicContact CG1-CD2 4.12Å; V43-F45 HydrophobicContact CG1-CE2 3.64Å; V43-F45 HydrophobicContact CG1-CZ 4.2Å
46	D	51.4	Low	45.5	Very low	172 Å²	172	138 Å²	138	92%	0.92	77%	0.773	S	S	*	*			trans	-100.6	92.5	171.5	-164.6	12.5	0	0	0	109.2
47	G	43.5	Very low	46.3	Very low	64 Å²	64	138.4 Å²	138.4	66%	0.66	78%	0.777	S	S	*	*			trans	159.1	64.2	177.6	0	0	0	0	0	115.3	I49	G47-I49 PolarHBondContact O-N 3.46Å
48	G	44.4	Very low	46.8	Very low	72 Å²	72	136.1 Å²	136.1	74%	0.742	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-67.8	126.9	169.4	0	0	0	0	0	110.9
49	I	49.5	Very low	47.6	Very low	164 Å²	164	135 Å²	135	84%	0.841	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-83	135	177.2	-74.5	165.5	0	0	0	109.6	G47	G47-I49 PolarHBondContact O-N 3.46Å
50	D	47.8	Very low	48.5	Very low	137 Å²	137	133.6 Å²	133.6	73%	0.733	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-78.4	126.7	-168.3	-46.7	-38.5	0	0	0	112	D52	D50-D52 VanDerWaalsContact C-N 3.28Å; D50-D52 PolarHBondContact O-N 3.45Å
51	V	50.7	Low	49.2	Very low	133 Å²	133	135.8 Å²	135.8	81%	0.806	78%	0.779	S	S	*	*			trans	-81.7	60.6	-176.9	-172.5	0	0	0	0	111.5	D53	V51-D53 VanDerWaalsContact C-N 3.31Å
52	D	49.7	Very low	49.4	Very low	153 Å²	153	134.5 Å²	134.5	82%	0.818	78%	0.776	S	S	*	*			trans	-93.2	15.3	172.1	-77.2	-38.5	0	0	0	112.9	D50 V54	D50-D52 VanDerWaalsContact C-N 3.28Å; D50-D52 PolarHBondContact O-N 3.45Å; D52-V54 VanDerWaalsContact C-N 3.3Å; D52-V54 PolarHBondContact O-N 2.86Å
53	D	47.2	Very low	49.5	Very low	150 Å²	150	132.2 Å²	132.2	80%	0.802	77%	0.769	S	S	*	*			trans	-74	74.5	171.2	-170.9	24.1	0	0	0	111.7	V51	V51-D53 VanDerWaalsContact C-N 3.31Å
54	V	47.2	Very low	49.7	Very low	124 Å²	124	134.7 Å²	134.7	75%	0.752	78%	0.779	S	S	*	*			trans	-132.7	78.7	167.3	-171.7	0	0	0	0	109.6	D52	D52-V54 VanDerWaalsContact C-N 3.3Å; D52-V54 PolarHBondContact O-N 2.86Å
55	V	53	Low	50.2	Low	134 Å²	134	132.8 Å²	132.8	81%	0.812	78%	0.775	S	S	*	*			trans	-139.1	81.4	156.8	-167.5	0	0	0	0	109.9
56	A	44	Very low	50.6	Low	101 Å²	101	130 Å²	130	84%	0.835	77%	0.769	S	S	*	*			trans	-80.8	111.2	161.3	0	0	0	0	0	108.8
57	D	60.2	Low	50.8	Low	136 Å²	136	127.4 Å²	127.4	73%	0.727	76%	0.759	S	S	*	*			trans	-138.9	94	162.8	-157.3	6.1	0	0	0	109.8
58	V	43.9	Very low	51.5	Low	126 Å²	126	130.6 Å²	130.6	76%	0.764	77%	0.766	S	S	*	*			trans	-90.3	109.5	172.8	171.8	0	0	0	0	107.1	V60	V58-V60 HydrophobicContact CG1-CG2 3.73Å
59	V	56.7	Low	52.2	Low	119 Å²	119	134.1 Å²	134.1	72%	0.721	77%	0.767	S	S	*	*			trans	-118.4	93.2	164.3	-175.3	0	0	0	0	107.4	D61	V59-D61 PolarHBondContact O-N 2.99Å
60	V	59.7	Low	52.2	Low	110 Å²	110	132.9 Å²	132.9	67%	0.667	76%	0.762	S	S	*	*			trans	-83.1	105.2	168.4	-171.9	0	0	0	0	106.6	V58 V62	V58-V60 HydrophobicContact CG1-CG2 3.73Å; V60-V62 HydrophobicContact CB-CG2 4.43Å; V60-V62 HydrophobicContact CG1-CG2 3.94Å; V60-V62 WeakPolarHBondContact O-CG2 3.01Å; V60-V62 PolarHBondContact O-N 3.03Å
61	D	60.8	Low	52.3	Low	133 Å²	133	133.1 Å²	133.1	71%	0.711	76%	0.764	S	S	*	*			trans	-80.8	108.3	173.5	-163.4	-5.5	0	0	0	108.6	V59	V59-D61 PolarHBondContact O-N 2.99Å
62	V	52.4	Low	52.5	Low	117 Å²	117	134.2 Å²	134.2	71%	0.709	77%	0.765	S	S	*	*			trans	-105.9	19.6	-174.1	-146.2	0	0	0	0	111.9	V60	V60-V62 HydrophobicContact CB-CG2 4.43Å; V60-V62 HydrophobicContact CG1-CG2 3.94Å; V60-V62 WeakPolarHBondContact O-CG2 3.01Å; V60-V62 PolarHBondContact O-N 3.03Å
63	N	42.4	Very low	52.9	Low	139 Å²	139	133.6 Å²	133.6	74%	0.743	76%	0.762	S	S	*	*			trans	-115.6	73.7	-178.7	-62.8	-51.4	0	0	0	111.6
64	D	53.5	Low	53.1	Low	162 Å²	162	133.6 Å²	133.6	87%	0.866	76%	0.762	S	S	*	*			trans	-130.8	67.6	144.5	-151.6	16.4	0	0	0	108.2
65	D	51.2	Low	53.8	Low	150 Å²	150	133.3 Å²	133.3	80%	0.802	76%	0.756	S	S	*	*			trans	-71.4	134.4	160.6	-162.1	16.7	0	0	0	106.1
66	D	53.9	Low	53.2	Low	133 Å²	133	129.5 Å²	129.5	71%	0.711	74%	0.744	S	S	*	*			trans	92	93.2	168.1	-149.8	21.4	0	0	0	117
67	V	55.4	Low	53.7	Low	118 Å²	118	131.8 Å²	131.8	72%	0.715	74%	0.742	S	S	*	*				-174.1	104.2	96.2	-84.2	0	0	0	0	109.2	D69	V67-D69 PolarHBondContact O-N 3.47Å
68	V	58.9	Low	53	Low	132 Å²	132	134.2 Å²	134.2	80%	0.8	75%	0.749	S	S	*	*			trans	-60.8	93.4	152.5	170.4	0	0	0	0	105.8	D70	V68-D70 HydrophobicContact CG1-CB 3.71Å; V68-D70 PolarHBondContact O-N 3.32Å
69	D	58.9	Low	53	Low	145 Å²	145	131.2 Å²	131.2	78%	0.775	74%	0.743	S	S	*	*			trans	-78.9	81.4	168.8	-153.7	7.8	0	0	0	107	V67	V67-D69 PolarHBondContact O-N 3.47Å
70	D	49.8	Very low	52.8	Low	138 Å²	138	132.3 Å²	132.3	74%	0.738	75%	0.75	S	S	*	*			trans	-97.9	67.9	176.3	-163.7	24.8	0	0	0	106.9	V68	V68-D70 HydrophobicContact CG1-CB 3.71Å; V68-D70 PolarHBondContact O-N 3.32Å
71	D	50	Low	52.6	Low	143 Å²	143	134.5 Å²	134.5	77%	0.765	76%	0.758	S	S	*	*	S	Bend	trans	-168.5	119.9	161.3	-103.4	-27.2	0	0	0	111.1
72	D	53.5	Low	52.2	Low	156 Å²	156	135 Å²	135	83%	0.834	76%	0.761	S	S	*	*			trans	89.6	59.6	141.2	-131.3	17.6	0	0	0	119.2
73	D	57.6	Low	52.8	Low	139 Å²	139	135.2 Å²	135.2	74%	0.743	76%	0.758	S	S	*	*			trans	-146.5	84.7	136.9	-150.5	-6.1	0	0	0	110.9	D75	D73-D75 PolarHBondContact O-N 2.93Å
74	D	53.2	Low	53.4	Low	151 Å²	151	135.4 Å²	135.4	81%	0.807	76%	0.758	S	S	*	*			trans	-65.4	77.5	158.5	174.8	22.1	0	0	0	108.9	G76	D74-G76 PolarHBondContact O-N 3.07Å; D74-G76 VanDerWaalsContact O-N 3.16Å
75	D	60.5	Low	53.4	Low	117 Å²	117	137.2 Å²	137.2	63%	0.626	75%	0.754	S	S	*	*			trans	-85.4	66.9	164.1	68.6	-30	0	0	0	109.6	D73 D77	D73-D75 PolarHBondContact O-N 2.93Å; D75-D77 PolarHBondContact O-N 3.27Å
76	G	40.3	Very low	53.7	Low	55 Å²	55	136.9 Å²	136.9	57%	0.567	75%	0.753	S	S	*	*			trans	-40.3	130.8	170.6	0	0	0	0	0	112.8	D74	D74-G76 PolarHBondContact O-N 3.07Å; D74-G76 VanDerWaalsContact O-N 3.16Å
77	D	55.3	Low	54.1	Low	148 Å²	148	137 Å²	137	79%	0.791	75%	0.753	S	S	*	*			trans	84.1	64.5	159.9	-164.5	24.1	0	0	0	118	D75	D75-D77 PolarHBondContact O-N 3.27Å
78	H	44.9	Very low	54	Low	187 Å²	187	137.9 Å²	137.9	87%	0.866	76%	0.758	S	S	*	*			trans	-142.6	79.1	156.3	-72.9	-43.6	0	0	0	112
79	G	44.5	Very low	54.1	Low	63 Å²	63	138 Å²	138	65%	0.649	76%	0.755	S	S	*	*			trans	-157.4	88.1	173.4	0	0	0	0	0	110.9	D81	G79-D81 PolarHBondContact O-N 3.28Å
80	V	52.7	Low	54	Low	143 Å²	143	138.4 Å²	138.4	87%	0.867	76%	0.757	S	S	*	*			trans	-57.9	103.5	177.5	-179.3	0	0	0	0	108.8
81	D	55	Low	54.3	Low	156 Å²	156	136.8 Å²	136.8	83%	0.834	75%	0.751	S	S	*	*			trans	-113.1	128.4	174.1	-119.1	-7.3	0	0	0	108.1	G79	G79-D81 PolarHBondContact O-N 3.28Å
82	D	53.2	Low	54.2	Low	144 Å²	144	137.2 Å²	137.2	77%	0.77	75%	0.754	S	S	*	*	S	Bend	trans	100.8	45.1	147	-126.8	16.8	0	0	0	120.5
83	D	63.9	Low	54.3	Low	121 Å²	121	136.8 Å²	136.8	65%	0.647	75%	0.752	S	S	*	*			trans	-121.6	6.6	158.4	75.2	-11.5	0	0	0	115.2	Y85 D86	D83-Y85 PolarHBondContact O-N 2.94Å; D83-D86 PolarHBondContact O-N 3.41Å; D83-D86 VanDerWaalsContact O-N 3.12Å
84	L	55.8	Low	54.1	Low	143 Å²	143	137.5 Å²	137.5	75%	0.749	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	4.5	-179.5	-134.9	120.1	0	0	0	114.9
85	Y	53.6	Low	53.8	Low	200 Å²	200	137.5 Å²	137.5	78%	0.784	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129	25.3	178.4	-66.7	-68	0	0	0	113.4	D83	D83-Y85 PolarHBondContact O-N 2.94Å
86	D	57.7	Low	53.4	Low	143 Å²	143	138.2 Å²	138.2	77%	0.765	75%	0.754	S	S	*	*			trans	-99.1	6.3	177.6	-156	32	0	0	0	114.7	D83	D83-D86 PolarHBondContact O-N 3.41Å; D83-D86 VanDerWaalsContact O-N 3.12Å
87	D	60.7	Low	54.2	Low	134 Å²	134	141.7 Å²	141.7	72%	0.717	76%	0.764	S	S	*	*			trans	-110.1	19	-171.2	70.7	-25.6	0	0	0	115.2	D89	D87-D89 PolarHBondContact O-N 3.03Å
88	V	55	Low	54.3	Low	137 Å²	137	140.5 Å²	140.5	83%	0.83	76%	0.758	S	S	*	*			trans	-74.7	57.4	162.9	-162	0	0	0	0	109.8
89	D	60.1	Low	54.6	Low	135 Å²	135	139.3 Å²	139.3	72%	0.722	75%	0.753	S	S	*	*			trans	-120.5	63.1	166.4	-152.4	7.7	0	0	0	109.4	D87 V91	D87-D89 PolarHBondContact O-N 3.03Å; D89-V91 PolarHBondContact O-N 2.66Å; D89-V91 WeakPolarHBondContact OD1-CG2 3.23Å
90	D	56	Low	54.9	Low	154 Å²	154	142.8 Å²	142.8	82%	0.824	76%	0.757	S	S	*	*			trans	-79	84.6	167.2	-175.1	13.8	0	0	0	108.6
91	V	56.7	Low	54.7	Low	103 Å²	103	142.3 Å²	142.3	62%	0.624	75%	0.754	S	S	*	*			trans	-157.5	99.4	162.1	-84.8	0	0	0	0	112.7	D89	D89-V91 PolarHBondContact O-N 2.66Å; D89-V91 WeakPolarHBondContact OD1-CG2 3.23Å
92	N	48.4	Very low	54.3	Low	153 Å²	153	143 Å²	143	82%	0.818	75%	0.752	S	S	*	*			trans	51.2	81.4	142.6	-66.5	-32.9	0	0	0	117.4
93	D	55	Low	54.1	Low	147 Å²	147	146.1 Å²	146.1	79%	0.786	76%	0.759	S	S	*	*			trans	-101	92.1	143.1	-156.5	9.5	0	0	0	108.3	E95	D93-E95 PolarHBondContact O-N 3.2Å; D93-E95 VanDerWaalsContact O-N 3.16Å
94	D	52.9	Low	53.1	Low	153 Å²	153	149.7 Å²	149.7	82%	0.818	77%	0.772	S	S	*	*			trans	-80.8	42.3	178.4	-173.2	18	0	0	0	110.5
95	E	47.6	Very low	52.3	Low	152 Å²	152	146.1 Å²	146.1	71%	0.71	77%	0.769	S	S	*	*			trans	-109.2	107.3	175.7	-65	-128	149.7	0	0	109.8	D93	D93-E95 PolarHBondContact O-N 3.2Å; D93-E95 VanDerWaalsContact O-N 3.16Å
96	D	53.2	Low	51.1	Low	131 Å²	131	140.4 Å²	140.4	70%	0.701	77%	0.771	S	S	*	*			trans	70.5	78.5	156.7	-61.1	-25.4	0	0	0	116.8	D98	D96-D98 PolarHBondContact O-N 2.77Å
97	V	55.6	Low	49.9	Very low	129 Å²	129	139.7 Å²	139.7	78%	0.782	78%	0.776	S	S	*	*			trans	-54	78.7	135	-174.7	0	0	0	0	108.5	E99	V97-E99 HydrophobicContact CG1-CG 3.99Å; V97-E99 PolarHBondContact O-N 3.19Å
98	D	58.1	Low	48.5	Very low	123 Å²	123	137.2 Å²	137.2	66%	0.658	78%	0.783	S	S	*	*			trans	-85.9	93.4	169.2	-131.5	1.7	0	0	0	106.9	D96 N100	D96-D98 PolarHBondContact O-N 2.77Å; D98-N100 PolarHBondContact O-N 3.17Å
99	E	51.5	Low	47.5	Very low	162 Å²	162	134 Å²	134	76%	0.757	78%	0.777	S	S	*	*			trans	-66	61.9	170.6	-62.9	-175.1	164.1	0	0	110.5	V97 V101	V97-E99 HydrophobicContact CG1-CG 3.99Å; V97-E99 PolarHBondContact O-N 3.19Å; E99-V101 PolarHBondContact O-N 2.77Å
100	N	50.2	Low	46.7	Very low	136 Å²	136	135.9 Å²	135.9	73%	0.727	79%	0.785	S	S	*	*			trans	-85.1	70.7	169.8	-92.6	25.5	0	0	0	109.9	D98 E102	D98-N100 PolarHBondContact O-N 3.17Å; N100-E102 VanDerWaalsContact C-N 3.33Å; N100-E102 PolarHBondContact O-N 3.13Å; N100-E102 VanDerWaalsContact O-N 3.14Å
101	V	48	Very low	46.6	Very low	133 Å²	133	133.9 Å²	133.9	81%	0.806	77%	0.774	S	S	*	*			trans	-77.9	83	165	-177.9	0	0	0	0	108.6	E99	E99-V101 PolarHBondContact O-N 2.77Å
102	E	47.4	Very low	46.3	Very low	169 Å²	169	135.3 Å²	135.3	79%	0.79	78%	0.779	S	S	*	*			trans	-145.4	93.4	160.7	-70.9	-168.1	167.4	0	0	110	N100	N100-E102 VanDerWaalsContact C-N 3.33Å; N100-E102 PolarHBondContact O-N 3.13Å; N100-E102 VanDerWaalsContact O-N 3.14Å
103	F	49.4	Very low	46	Very low	211 Å²	211	134.9 Å²	134.9	93%	0.925	77%	0.772	S	S	*	*			trans	-104	98.3	154.3	-82.5	-85.9	0	0	0	108.2	G105	F103-G105 PolarHBondContact O-N 3.17Å
104	E	41.4	Very low	45.8	Very low	195 Å²	195	134.3 Å²	134.3	91%	0.911	77%	0.773	S	S	*	*			trans	-66.7	70.9	158.2	-68	-153.6	151.9	0	0	109.1
105	G	40.9	Very low	45.7	Very low	68 Å²	68	132.2 Å²	132.2	70%	0.701	76%	0.762	S	S	*	*			trans	-106.4	47.4	170.8	0	0	0	0	0	110.4	F103 C107	F103-G105 PolarHBondContact O-N 3.17Å; G105-C107 PolarHBondContact O-N 2.72Å
106	G	28.3	Very low	45.7	Very low	80 Å²	80	131.7 Å²	131.7	83%	0.825	76%	0.764	S	S	*	*			trans	-73.1	105.4	170.5	0	0	0	0	0	109.9
107	C	31.5	Very low	45.3	Very low	128 Å²	128	131.8 Å²	131.8	87%	0.865	76%	0.76	S	S	*	*	S	Bend		159.2	99	121.7	-148.8	0	0	0	0	110.1	G105 G109	G105-C107 PolarHBondContact O-N 2.72Å; C107-G109 PolarHBondContact O-N 3.2Å
108	G	31.7	Very low	44.8	Very low	83 Å²	83	131.6 Å²	131.6	86%	0.856	75%	0.754	S	S	*	*			trans	31.4	86.1	154.4	0	0	0	0	0	118.6
109	G	34	Very low	44.3	Very low	69 Å²	69	131.6 Å²	131.6	71%	0.711	75%	0.754	S	S	*	*			trans	-99.9	131.1	138.2	0	0	0	0	0	106.5	C107 D111	C107-G109 PolarHBondContact O-N 3.2Å; G109-D111 VanDerWaalsContact C-N 3.34Å; G109-D111 PolarHBondContact O-N 3.16Å
110	I	43.5	Very low	44.3	Very low	174 Å²	174	128.7 Å²	128.7	89%	0.892	74%	0.744	S	S	*	*			trans	-65.4	105.1	167.3	-59.4	157	0	0	0	103.7	D112	I110-D112 PolarHBondContact O-N 3.31Å
111	D	53.9	Low	44.4	Very low	112 Å²	112	129.5 Å²	129.5	60%	0.599	75%	0.749	S	S	*	*			trans	-73.8	112.3	177	-167.8	-6.6	0	0	0	107.3	G109 H113	G109-D111 VanDerWaalsContact C-N 3.34Å; G109-D111 PolarHBondContact O-N 3.16Å; D111-H113 PolarHBondContact O-N 3.04Å; D111-H113 IonicContact OD1-CD2 3.26Å; D111-H113 PolarHBondContact OD1-CD2 3.23Å; D111-H113 IonicContact OD1-CE1 3.37Å; D111-H113 IonicContact OD1-CG 2.8Å; D111-H113 VanDerWaalsContact OD1-CG 3.28Å; D111-H113 PolarHBondContact OD1-N 3.21Å; D111-H113 IonicContact OD1-ND1 3.99Å; D111-H113 IonicContact OD1-NE2 3.97Å; D111-H113 PolarHBondContact OD1-NE2 3.12Å; D111-H113 IonicContact OD2-CD2 3.99Å; D111-H113 PolarHBondContact OD2-CD2 2.64Å; D111-H113 VanDerWaalsContact OD2-CD2 3.26Å; D111-H113 IonicContact OD2-NE2 3.83Å
112	D	50.1	Low	44.7	Very low	133 Å²	133	132.5 Å²	132.5	71%	0.711	75%	0.747	S	S	*	*			trans	-86.9	21.9	-173.1	62.9	-18.3	0	0	0	112.2	I110 V114	I110-D112 PolarHBondContact O-N 3.31Å; D112-V114 PolarHBondContact O-N 2.87Å
113	H	42.2	Very low	44.7	Very low	145 Å²	145	131.5 Å²	131.5	67%	0.671	75%	0.745	S	S	*	*			trans	-65.9	72.2	164	-66.1	-40.8	0	0	0	109.8	D111 D115	D111-H113 PolarHBondContact O-N 3.04Å; D111-H113 IonicContact OD1-CD2 3.26Å; D111-H113 PolarHBondContact OD1-CD2 3.23Å; D111-H113 IonicContact OD1-CE1 3.37Å; D111-H113 IonicContact OD1-CG 2.8Å; D111-H113 VanDerWaalsContact OD1-CG 3.28Å; D111-H113 PolarHBondContact OD1-N 3.21Å; D111-H113 IonicContact OD1-ND1 3.99Å; D111-H113 IonicContact OD1-NE2 3.97Å; D111-H113 PolarHBondContact OD1-NE2 3.12Å; D111-H113 IonicContact OD2-CD2 3.99Å; D111-H113 PolarHBondContact OD2-CD2 2.64Å; D111-H113 VanDerWaalsContact OD2-CD2 3.26Å; D111-H113 IonicContact OD2-NE2 3.83Å; H113-D115 PolarHBondContact O-N 3.37Å
114	V	49.9	Very low	44.9	Very low	135 Å²	135	126.7 Å²	126.7	82%	0.818	73%	0.729	S	S	*	*			trans	-63.2	85.3	144.5	179.9	0	0	0	0	104.3	D112 D116	D112-V114 PolarHBondContact O-N 2.87Å; V114-D116 PolarHBondContact O-N 2.88Å; V114-D116 VanDerWaalsContact O-N 3.17Å
115	D	50.8	Low	45.5	Very low	109 Å²	109	124.1 Å²	124.1	58%	0.583	72%	0.722	S	S	*	*			trans	-62	107.7	168.3	-166.5	13.9	0	0	0	106.7	H113 H117	H113-D115 PolarHBondContact O-N 3.37Å; D115-H117 PolarHBondContact O-N 2.8Å; D115-H117 VanDerWaalsContact O-N 3.12Å; D115-H117 IonicContact OD1-CE1 3.85Å; D115-H117 PolarHBondContact OD1-CE1 3.02Å; D115-H117 VanDerWaalsContact OD1-CE1 3.27Å; D115-H117 IonicContact OD1-CG 2.64Å; D115-H117 IonicContact OD1-ND1 3.23Å; D115-H117 PolarHBondContact OD1-ND1 3.48Å; D115-H117 IonicContact OD2-CE1 3.28Å; D115-H117 IonicContact OD2-ND1 3.96Å; D115-H117 PolarHBondContact OD2-ND1 3.36Å
116	D	48.8	Very low	45.6	Very low	140 Å²	140	125.6 Å²	125.6	75%	0.749	71%	0.714	S	S	*	*			trans	-78.7	26.9	-175.6	56.7	-15.2	0	0	0	112.5	V114 N118	V114-D116 PolarHBondContact O-N 2.88Å; V114-D116 VanDerWaalsContact O-N 3.17Å; D116-N118 PolarHBondContact O-N 3.26Å
117	H	43.8	Very low	46.6	Very low	133 Å²	133	129.2 Å²	129.2	62%	0.616	71%	0.714	S	S	*	*			trans	-70.3	65.1	165.8	-73.9	86.4	0	0	0	110.4	D115 D119	D115-H117 PolarHBondContact O-N 2.8Å; D115-H117 VanDerWaalsContact O-N 3.12Å; D115-H117 IonicContact OD1-CE1 3.85Å; D115-H117 PolarHBondContact OD1-CE1 3.02Å; D115-H117 VanDerWaalsContact OD1-CE1 3.27Å; D115-H117 IonicContact OD1-CG 2.64Å; D115-H117 IonicContact OD1-ND1 3.23Å; D115-H117 PolarHBondContact OD1-ND1 3.48Å; D115-H117 IonicContact OD2-CE1 3.28Å; D115-H117 IonicContact OD2-ND1 3.96Å; D115-H117 PolarHBondContact OD2-ND1 3.36Å; H117-D119 VanDerWaalsContact C-N 3.29Å; H117-D119 IonicContact CD2-OD2 3.27Å
118	N	45.4	Very low	47.5	Very low	125 Å²	125	128.6 Å²	128.6	67%	0.668	70%	0.702	S	S	*	*			trans	-100.9	63.5	152.6	-156.3	27.7	0	0	0	107.7	D116 D120	D116-N118 PolarHBondContact O-N 3.26Å; N118-D120 PolarHBondContact O-N 3.48Å
119	D	47.7	Very low	48.8	Very low	123 Å²	123	131.9 Å²	131.9	66%	0.658	70%	0.7	S	S	*	*			trans	-78.6	32.1	167.9	-79.9	-20.9	0	0	0	111.2	H117	H117-D119 VanDerWaalsContact C-N 3.29Å; H117-D119 IonicContact CD2-OD2 3.27Å
120	D	51.5	Low	49.5	Very low	102 Å²	102	134.4 Å²	134.4	55%	0.545	70%	0.701	S	S	.	*			trans	-105	83.3	172.9	-78.1	-15.8	0	0	0	107.8	N118 Y122	N118-D120 PolarHBondContact O-N 3.48Å; D120-Y122 HydrophobicContact CB-CD2 4.34Å; D120-Y122 HydrophobicContact CB-CE2 4.07Å; D120-Y122 WeakPolarHBondContact O-CD2 3.01Å; D120-Y122 PolarHBondContact O-N 3.16Å
121	D	53.1	Low	50.1	Low	153 Å²	153	130.8 Å²	130.8	82%	0.818	69%	0.687	S	S	*	*				35.2	17.1	121.9	-57.6	-17.2	0	0	0	121	I123	D121-I123 PolarHBondContact O-N 3.28Å
122	Y	52.4	Low	49.7	Very low	196 Å²	196	133.5 Å²	133.5	77%	0.769	70%	0.696	S	S	*	*			trans	-82.7	54.9	163.9	-57.7	-80.6	0	0	0	109.8	D120 D124	D120-Y122 HydrophobicContact CB-CD2 4.34Å; D120-Y122 HydrophobicContact CB-CE2 4.07Å; D120-Y122 WeakPolarHBondContact O-CD2 3.01Å; D120-Y122 PolarHBondContact O-N 3.16Å; Y122-D124 PolarHBondContact O-N 3.27Å
123	I	48.8	Very low	49.6	Very low	147 Å²	147	136.4 Å²	136.4	75%	0.754	70%	0.698	S	S	*	*			trans	-85.6	78.1	133.2	-58.9	174.1	0	0	0	103.7	D121 D125	D121-I123 PolarHBondContact O-N 3.28Å; I123-D125 HydrophobicContact CG2-CB 4.19Å; I123-D125 PolarHBondContact O-N 3.2Å
124	D	52.3	Low	50	Low	110 Å²	110	136 Å²	136	59%	0.588	70%	0.7	S	S	*	*			trans	-77.1	99	145.3	-166.5	-2.3	0	0	0	104.4	Y122 N126	Y122-D124 PolarHBondContact O-N 3.27Å; D124-N126 PolarHBondContact O-N 3.05Å; D124-N126 WeakPolarHBondContact OD1-CB 3.13Å; D124-N126 PolarHBondContact OD1-N 2.8Å
125	D	53.9	Low	49.5	Very low	142 Å²	142	135.9 Å²	135.9	76%	0.759	70%	0.699	S	S	*	*			trans	-58.7	7.5	164.8	49.6	-32.4	0	0	0	113.1	I123 D127	I123-D125 HydrophobicContact CG2-CB 4.19Å; I123-D125 PolarHBondContact O-N 3.2Å; D125-D127 VanDerWaalsContact C-N 3.27Å; D125-D127 PolarHBondContact O-N 2.83Å
126	N	44.7	Very low	49	Very low	99 Å²	99	136 Å²	136	53%	0.529	71%	0.708	S	S	.	*			trans	-92.4	57.7	165.7	-143.7	58.9	0	0	0	111.3	D124 D128	D124-N126 PolarHBondContact O-N 3.05Å; D124-N126 WeakPolarHBondContact OD1-CB 3.13Å; D124-N126 PolarHBondContact OD1-N 2.8Å; N126-D128 PolarHBondContact O-N 3.12Å
127	D	49.5	Very low	48.7	Very low	156 Å²	156	137.7 Å²	137.7	83%	0.834	71%	0.712	S	S	*	*			trans	-65.3	48.7	159	-158.7	12.7	0	0	0	110.1	D125	D125-D127 VanDerWaalsContact C-N 3.27Å; D125-D127 PolarHBondContact O-N 2.83Å
128	D	50	Low	48.3	Very low	115 Å²	115	143.7 Å²	143.7	62%	0.615	74%	0.743	S	S	*	*			trans	-105.2	5.1	-177	-157.5	29.7	0	0	0	111.9	N126 V130	N126-D128 PolarHBondContact O-N 3.12Å; D128-V130 PolarHBondContact O-N 2.78Å
129	D	57.8	Low	48.5	Very low	151 Å²	151	144.7 Å²	144.7	81%	0.807	75%	0.747	S	S	*	*			trans	-86.4	57.9	170.8	-75.7	-25	0	0	0	110.2	V131	D129-V131 VanDerWaalsContact C-N 3.33Å; D129-V131 PolarHBondContact O-N 3.14Å
130	V	48.9	Very low	48.5	Very low	122 Å²	122	145.8 Å²	145.8	74%	0.739	75%	0.752	S	S	*	*			trans	-66.3	98.6	163.9	-173.2	0	0	0	0	107.1	D128 E132	D128-V130 PolarHBondContact O-N 2.78Å; V130-E132 PolarHBondContact O-N 3.04Å
131	V	55.8	Low	48.3	Very low	98 Å²	98	148.2 Å²	148.2	59%	0.594	76%	0.763	S	S	*	*			trans	-58.1	102	175.9	-178.9	0	0	0	0	109.2	D129 Y133	D129-V131 VanDerWaalsContact C-N 3.33Å; D129-V131 PolarHBondContact O-N 3.14Å; V131-Y133 HydrophobicContact CB-CE2 4.19Å; V131-Y133 HydrophobicContact CG1-CD2 4.33Å; V131-Y133 HydrophobicContact CG1-CE1 4.36Å; V131-Y133 HydrophobicContact CG1-CE2 3.82Å; V131-Y133 WeakPolarHBondContact O-CD2 3.43Å; V131-Y133 PolarHBondContact O-N 2.81Å
132	E	46.7	Very low	48.1	Very low	170 Å²	170	147.9 Å²	147.9	79%	0.794	76%	0.76	S	S	*	*			trans	-78.6	108.5	176.6	-173.2	176.1	-149.9	0	0	110	V130 I134	V130-E132 PolarHBondContact O-N 3.04Å; E132-I134 PolarHBondContact O-N 2.82Å
133	Y	47	Very low	47.8	Very low	193 Å²	193	144.9 Å²	144.9	76%	0.757	76%	0.76	S	S	*	*			trans	-80.5	104.7	171.6	-64.6	-90.3	0	0	0	109.9	V131 V135	V131-Y133 HydrophobicContact CB-CE2 4.19Å; V131-Y133 HydrophobicContact CG1-CD2 4.33Å; V131-Y133 HydrophobicContact CG1-CE1 4.36Å; V131-Y133 HydrophobicContact CG1-CE2 3.82Å; V131-Y133 WeakPolarHBondContact O-CD2 3.43Å; V131-Y133 PolarHBondContact O-N 2.81Å; Y133-V135 PolarHBondContact O-N 3.29Å
134	I	52.1	Low	47.7	Very low	137 Å²	137	144.8 Å²	144.8	70%	0.703	76%	0.76	S	S	*	*			trans	-72.3	98.5	168.2	-58.2	173.9	0	0	0	107.8	E132 S136	E132-I134 PolarHBondContact O-N 2.82Å; I134-S136 PolarHBondContact O-N 3.16Å
135	V	38.5	Very low	47.4	Very low	132 Å²	132	147.3 Å²	147.3	80%	0.8	77%	0.772	S	S	*	*			trans	-66.9	97.6	168.1	-177.6	0	0	0	0	107.5	Y133 E137	Y133-V135 PolarHBondContact O-N 3.29Å; V135-E137 PolarHBondContact O-N 3.3Å
136	S	39.6	Very low	46.9	Very low	111 Å²	111	147.7 Å²	147.7	78%	0.776	77%	0.773	S	S	*	*			trans	-66.6	118.2	171	-69.7	0	0	0	0	109	I134	I134-S136 PolarHBondContact O-N 3.16Å
137	E	43.6	Very low	47.1	Very low	176 Å²	176	151.8 Å²	151.8	82%	0.822	79%	0.794	S	S	*	*			trans	-80.9	125.6	176.8	53.5	-176.1	137.8	0	0	112.4	V135	V135-E137 PolarHBondContact O-N 3.3Å
138	M	35.4	Very low	46.9	Very low	260 Å²	260	151.4 Å²	151.4	100%	1.281	79%	0.79	S	S	*	*			trans	53.9	0	153.8	-54.9	-168.8	-158.6	0	0	122

Retrieved 138 of 138 residues in 65.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).