A0A077YYJ5_TRITR Loading...

CX domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYJ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 163 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	46.6	Very low	55.2	Low	244 Å²	244	142 Å²	142	100%	1.202	71%	0.708	S	S	*	*				0	92.5	0	-69.3	140.2	109.2	0	0	108
2	S	58	Low	55	Low	107 Å²	107	136.2 Å²	136.2	75%	0.748	70%	0.699	S	S	*	*			trans	-155.8	42.1	-174.1	-164.8	0	0	0	0	113.5
3	Q	59.2	Low	54.8	Low	170 Å²	170	136.7 Å²	136.7	79%	0.794	70%	0.704	S	S	*	*	S	Bend	trans	-120.5	-30.6	171	-70.8	-161.3	45.2	0	0	112.9	N5 L6	Q3-N5 VanDerWaalsContact C-N 3.32Å; Q3-N5 PolarHBondContact O-N 3.06Å; Q3-L6 PolarHBondContact O-N 3.46Å
4	D	59.3	Low	55.1	Low	141 Å²	141	135.6 Å²	135.6	75%	0.754	70%	0.698	S	S	*	*	H	α-helix	trans	-65.5	-29.6	-178.1	-64.8	-47.5	0	0	0	114.5	L6	D4-L6 VanDerWaalsContact C-N 3.33Å; D4-L6 PolarHBondContact O-N 3.25Å
5	N	56.9	Low	54.6	Low	127 Å²	127	135.4 Å²	135.4	68%	0.679	69%	0.692	S	S	*	*	H	α-helix	trans	-71.4	-27.7	179.5	-71.4	-55.4	0	0	0	112.9	Q3 S9	Q3-N5 VanDerWaalsContact C-N 3.32Å; Q3-N5 PolarHBondContact O-N 3.06Å; N5-S9 PolarHBondContact O-N 3.29Å
6	L	57.1	Low	53.5	Low	124 Å²	124	131.4 Å²	131.4	65%	0.649	70%	0.695	S	S	*	*	H	α-helix	trans	-77.1	-32.1	-177.3	-151.7	86.5	0	0	0	112.2	Q3 D4 S9	Q3-L6 PolarHBondContact O-N 3.46Å; D4-L6 VanDerWaalsContact C-N 3.33Å; D4-L6 PolarHBondContact O-N 3.25Å; L6-S9 PolarHBondContact O-OG 3.45Å; L6-S9 VanDerWaalsContact O-OG 3.1Å
7	A	56.6	Low	53	Low	50 Å²	50	130.1 Å²	130.1	41%	0.413	70%	0.699	S	S	.	*	H	α-helix	trans	-65.7	-49.6	174.5	0	0	0	0	0	109.7	S9 R10 W11	A7-S9 VanDerWaalsContact C-N 3.28Å; A7-S9 PolarHBondContact O-N 3.19Å; A7-R10 PolarHBondContact O-N 3.23Å; A7-R10 VanDerWaalsContact O-N 3.14Å; A7-W11 PolarHBondContact O-N 3.46Å; A7-W11 PolarHBondContact O-NE1 3.49Å
8	K	55	Low	52.2	Low	168 Å²	168	133.7 Å²	133.7	73%	0.73	71%	0.711	S	S	*	*	H	α-helix	trans	-61.3	-32.9	-174.3	-142.2	174.3	-175.5	-176.2	0	113.6
9	S	55.5	Low	51.7	Low	59 Å²	59	132.6 Å²	132.6	41%	0.413	72%	0.715	S	S	.	*	H	α-helix	trans	-72.1	-37.4	177.2	60	0	0	0	0	112.9	N5 L6 A7 W11 A12	N5-S9 PolarHBondContact O-N 3.29Å; L6-S9 PolarHBondContact O-OG 3.45Å; L6-S9 VanDerWaalsContact O-OG 3.1Å; A7-S9 VanDerWaalsContact C-N 3.28Å; A7-S9 PolarHBondContact O-N 3.19Å; S9-W11 VanDerWaalsContact C-N 3.32Å; S9-W11 PolarHBondContact O-N 3.32Å; S9-A12 PolarHBondContact O-N 3.18Å
10	R	51.6	Low	50.7	Low	188 Å²	188	135.7 Å²	135.7	71%	0.709	73%	0.725	S	S	*	*	H	α-helix	trans	-67.3	-29.9	179.5	-85.6	-173.5	173.2	-169.3	-1.6	113.8	A7	A7-R10 PolarHBondContact O-N 3.23Å; A7-R10 VanDerWaalsContact O-N 3.14Å
11	W	51	Low	50.2	Low	184 Å²	184	135.4 Å²	135.4	70%	0.697	73%	0.73	S	S	*	*	H	α-helix	trans	-76.7	-23.8	179.6	-61.3	107.2	0	0	0	113.3	A7 S9	A7-W11 PolarHBondContact O-N 3.46Å; A7-W11 PolarHBondContact O-NE1 3.49Å; S9-W11 VanDerWaalsContact C-N 3.32Å; S9-W11 PolarHBondContact O-N 3.32Å
12	A	53	Low	49.5	Very low	72 Å²	72	135.3 Å²	135.3	60%	0.595	72%	0.716	S	S	*	*	H	α-helix	trans	-75.7	-33.1	-178.7	0	0	0	0	0	112.9	S9 I14	S9-A12 PolarHBondContact O-N 3.18Å; A12-I14 PolarHBondContact O-N 3.29Å
13	D	52.7	Low	48.6	Very low	143 Å²	143	133.8 Å²	133.8	77%	0.765	72%	0.718	S	S	*	*	S	Bend	trans	-75.8	-20	-176	-75.3	-41.7	0	0	0	113.9
14	I	58.7	Low	47.5	Very low	122 Å²	122	133.1 Å²	133.1	63%	0.626	72%	0.72	S	S	*	*	S	Bend	trans	-83	-21.4	-174.4	-58.6	176.2	0	0	0	112.5	A12	A12-I14 PolarHBondContact O-N 3.29Å
15	H	47.9	Very low	46.7	Very low	132 Å²	132	131.3 Å²	131.3	61%	0.611	72%	0.724	S	S	*	*	S	Bend	trans	-115.4	16.3	-169.7	-65.6	-72.6	0	0	0	115	S17	H15-S17 PolarHBondContact O-N 2.71Å
16	G	37.6	Very low	46	Very low	71 Å²	71	130.7 Å²	130.7	73%	0.732	73%	0.73	S	S	*	*			trans	-89.6	55.2	179.2	0	0	0	0	0	115.8
17	S	44.3	Very low	45.2	Very low	109 Å²	109	133.8 Å²	133.8	76%	0.762	74%	0.743	S	S	*	*			trans	-165.9	94.6	158.2	64	0	0	0	0	109.6	H15	H15-S17 PolarHBondContact O-N 2.71Å
18	Q	39.3	Very low	44.6	Very low	195 Å²	195	138.7 Å²	138.7	91%	0.911	76%	0.759	S	S	*	*				60.8	94.4	78.9	-157.5	-174.7	67.9	0	0	114.2
19	S	41.7	Very low	44.3	Very low	114 Å²	114	137.6 Å²	137.6	80%	0.797	77%	0.767	S	S	*	*			trans	-174.6	110.3	131.7	55	0	0	0	0	112.1
20	Q	31.8	Very low	43.4	Very low	194 Å²	194	145.8 Å²	145.8	91%	0.907	79%	0.789	S	S	*	*			trans	-68.3	144.5	162.1	-74.4	170	-78.9	0	0	110.6
21	P	40.1	Very low	42.7	Very low	129 Å²	129	140.4 Å²	140.4	84%	0.838	79%	0.792	S	S	*	*			trans	-115.5	130.9	139.5	17.2	0	0	0	0	111.2
22	R	32.9	Very low	42.1	Very low	242 Å²	242	136.1 Å²	136.1	91%	0.913	80%	0.796	S	S	*	*			trans	-79.9	127.9	175.9	-167.8	-179.3	-164.9	161.5	2.7	108.3
23	G	39.2	Very low	41.3	Very low	75 Å²	75	142 Å²	142	77%	0.773	81%	0.811	S	S	*	*			trans	-168.3	93.3	177.6	0	0	0	0	0	112.4
24	D	35.7	Very low	40.6	Very low	157 Å²	157	139.9 Å²	139.9	84%	0.84	81%	0.807	S	S	*	*			trans	-64.5	125.8	174.6	-60	-59.4	0	0	0	111.7
25	A	42.1	Very low	39.9	Very low	102 Å²	102	139.3 Å²	139.3	84%	0.843	81%	0.814	S	S	*	*			trans	-159.1	67.6	159.2	0	0	0	0	0	110.6
26	S	41.9	Very low	39.6	Very low	115 Å²	115	140.7 Å²	140.7	80%	0.804	83%	0.826	S	S	*	*			trans	-81.2	103.9	161.4	53.8	0	0	0	0	109.5
27	M	41.3	Very low	39.6	Very low	188 Å²	188	141 Å²	141	93%	0.926	82%	0.821	S	S	*	*			trans	-143.4	119.7	149.5	-142.9	177.9	-158.9	0	0	110.2
28	M	42.4	Very low	39.6	Very low	153 Å²	153	142.2 Å²	142.2	75%	0.754	82%	0.824	S	S	*	*			trans	-71.8	139.9	-173.5	-55.2	173.7	-174.6	0	0	110.6
29	T	49.1	Very low	39.5	Very low	145 Å²	145	137.2 Å²	137.2	89%	0.89	81%	0.809	S	S	*	*			trans	-130.7	110.8	153.3	-47.5	0	0	0	0	107.7
30	W	36.9	Very low	39.7	Very low	232 Å²	232	136.9 Å²	136.9	88%	0.879	81%	0.813	S	S	*	*			trans	-79	121.6	177.5	-77.4	67.9	0	0	0	109
31	G	36.6	Very low	40.1	Very low	75 Å²	75	137 Å²	137	77%	0.773	81%	0.805	S	S	*	*			trans	-143.1	124.2	172.8	0	0	0	0	0	108.8
32	A	39.4	Very low	40.3	Very low	94 Å²	94	134.7 Å²	134.7	78%	0.777	80%	0.797	S	S	*	*			trans	-51.8	136.3	-170.1	0	0	0	0	0	116.2
33	Q	35.9	Very low	40.9	Very low	194 Å²	194	129.5 Å²	129.5	91%	0.907	78%	0.783	S	S	*	*				51.5	90.9	121	-158.2	164	1.4	0	0	118
34	S	38	Very low	41	Very low	99 Å²	99	132.5 Å²	132.5	69%	0.692	79%	0.786	S	S	*	*			trans	-155.7	131.5	130.2	76.2	0	0	0	0	109.1	N36	S34-N36 PolarHBondContact O-N 2.7Å
35	S	43	Very low	41.8	Very low	111 Å²	111	127.9 Å²	127.9	78%	0.776	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	125.8	177.5	41.8	0	0	0	0	110.8
36	N	42.9	Very low	42.6	Very low	161 Å²	161	131 Å²	131	86%	0.861	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.4	30.3	158.6	-55.2	-9.3	0	0	0	119	S34	S34-N36 PolarHBondContact O-N 2.7Å
37	A	37.8	Very low	43.6	Very low	76 Å²	76	128.3 Å²	128.3	63%	0.628	74%	0.744	S	S	*	*			trans	-119.8	76	148.2	0	0	0	0	0	107.5	P39	A37-P39 WeakPolarHBondContact O-CD 3.34Å
38	V	42.7	Very low	45.1	Very low	135 Å²	135	124.8 Å²	124.8	82%	0.818	73%	0.725	S	S	*	*			trans	-62.7	109.7	164.7	177.1	0	0	0	0	104.7	A40	V38-A40 PolarHBondContact O-N 2.84Å
39	P	38.5	Very low	46.6	Very low	90 Å²	90	119.5 Å²	119.5	58%	0.584	70%	0.7	S	S	*	*			trans	-60.6	136.7	177.8	26.2	-31.8	0	0	0	106.8	A37 R41	A37-P39 WeakPolarHBondContact O-CD 3.34Å; P39-R41 PolarHBondContact O-N 3.47Å
40	A	44.6	Very low	48	Very low	107 Å²	107	117.2 Å²	117.2	88%	0.884	68%	0.68	S	S	*	*			trans	-61.4	61.8	170.1	0	0	0	0	0	110.6	V38 A42	V38-A40 PolarHBondContact O-N 2.84Å; A40-A42 PolarHBondContact O-N 3.1Å
41	R	41.7	Very low	49.9	Very low	198 Å²	198	112.1 Å²	112.1	75%	0.747	66%	0.662	S	S	*	*			trans	-67.3	97.8	163	-87.1	-173.9	167.1	165.1	-2.7	104.5	P39 H43	P39-R41 PolarHBondContact O-N 3.47Å; R41-H43 PolarHBondContact O-N 3.45Å
42	A	43.8	Very low	52.1	Low	80 Å²	80	114.6 Å²	114.6	66%	0.661	65%	0.653	S	S	*	*			trans	-46.6	77.9	158.9	0	0	0	0	0	109.9	A40 T44	A40-A42 PolarHBondContact O-N 3.1Å; A42-T44 VanDerWaalsContact C-N 3.33Å; A42-T44 PolarHBondContact O-N 3.4Å
43	H	45	Very low	54.2	Low	133 Å²	133	116.3 Å²	116.3	62%	0.616	64%	0.643	S	S	*	*			trans	-82.6	96.4	154.6	-75.5	-80.5	0	0	0	104.2	R41 A45	R41-H43 PolarHBondContact O-N 3.45Å; H43-A45 PolarHBondContact O-N 3.14Å
44	T	42.2	Very low	56.3	Low	138 Å²	138	111.1 Å²	111.1	85%	0.847	62%	0.621	S	S	*	*			trans	-62.9	45.7	163.2	50.5	0	0	0	0	110.8	A42	A42-T44 VanDerWaalsContact C-N 3.33Å; A42-T44 PolarHBondContact O-N 3.4Å
45	A	51.1	Low	58.4	Low	59 Å²	59	109.8 Å²	109.8	49%	0.488	61%	0.607	S	S	.	*			trans	-87.6	125.5	164.5	0	0	0	0	0	105.2	H43 R47	H43-A45 PolarHBondContact O-N 3.14Å; A45-R47 HydrophobicContact CB-CG 4.31Å; A45-R47 WeakPolarHBondContact O-CG 3.38Å; A45-R47 PolarHBondContact O-N 3.23Å
46	D	59.3	Low	60	Low	167 Å²	167	105.5 Å²	105.5	89%	0.893	58%	0.579	S	S	*	*			trans	-51.7	77.6	174.5	-169.7	16.6	0	0	0	111.2
47	R	63.8	Low	61.3	Low	60 Å²	60	104.3 Å²	104.3	23%	0.226	58%	0.58	C	S	.	*			trans	-102.2	97.7	-177.3	-70.3	-179.3	81.1	166.2	9	107.9	A45 Y66 D68	A45-R47 HydrophobicContact CB-CG 4.31Å; A45-R47 WeakPolarHBondContact O-CG 3.38Å; A45-R47 PolarHBondContact O-N 3.23Å; R47-Y66 HydrophobicContact CB-CD1 4.22Å; R47-D68 VanDerWaalsContact CZ-CG 3.49Å; R47-D68 IonicContact CZ-OD1 2.97Å; R47-D68 IonicContact CZ-OD2 2.77Å; R47-D68 IonicContact NE-OD1 2.61Å; R47-D68 PolarHBondContact NE-OD1 3.4Å; R47-D68 IonicContact NE-OD2 2.66Å; R47-D68 PolarHBondContact NE-OD2 3.34Å; R47-D68 IonicContact NH1-OD2 2.71Å; R47-D68 IonicContact NH2-OD1 2.82Å; R47-D68 PolarHBondContact NH2-OD1 3.36Å; R47-D68 IonicContact NH2-OD2 3.91Å; R47-D68 PolarHBondContact NH2-OD2 3.32Å
48	H	72.1	Confident	63.1	Low	113 Å²	113	110 Å²	110	52%	0.523	59%	0.594	S	S	.	*			trans	-75.7	127.1	177.7	-165	-70.6	0	0	0	110.6	M50 S67	H48-M50 PolarHBondContact O-N 2.74Å; H48-S67 PolarHBondContact O-N 3.37Å
49	L	75.1	Confident	64.8	Low	42 Å²	42	105 Å²	105	22%	0.22	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-62.5	121.8	168.7	-179.8	69.8	0	0	0	109.8	C64 Y66 C81	L49-C64 HydrophobicContact CD1-CB 4.09Å; L49-Y66 HydrophobicContact CD1-CE1 4.29Å; L49-C81 HydrophobicContact CD1-CB 3.6Å; L49-C81 HydrophobicContact CD2-CB 3.74Å; L49-C81 HydrophobicContact CG-CB 4.33Å
50	M	78.3	Confident	66.8	Low	97 Å²	97	103.5 Å²	103.5	48%	0.478	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.8	-52.8	-178.1	-70.2	-101.5	108.5	0	0	111.7	H48 Y65	H48-M50 PolarHBondContact O-N 2.74Å; M50-Y65 WeakPolarHBondContact CB-O 3.46Å; M50-Y65 PolarHBondContact N-O 2.86Å
51	Y	76.8	Confident	68.7	Low	126 Å²	126	103.6 Å²	103.6	49%	0.494	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	149.5	178.2	59.2	-83.2	0	0	0	110.9	Y65	Y51-Y65 HydrophobicContact CD1-CG 4.41Å; Y51-Y65 AromaticContact CD2-CD2 3.46Å; Y51-Y65 HydrophobicContact CD2-CD2 3.46Å; Y51-Y65 VanDerWaalsContact CD2-CD2 3.46Å; Y51-Y65 HydrophobicContact CD2-CE2 4Å; Y51-Y65 AromaticContact CD2-CG 3.97Å; Y51-Y65 HydrophobicContact CD2-CG 3.97Å; Y51-Y65 HydrophobicContact CE1-CD1 4.29Å; Y51-Y65 HydrophobicContact CE1-CD2 4.35Å; Y51-Y65 AromaticContact CE1-CG 3.84Å; Y51-Y65 HydrophobicContact CE1-CG 3.84Å; Y51-Y65 AromaticContact CE2-CD1 3.91Å; Y51-Y65 HydrophobicContact CE2-CD1 3.91Å; Y51-Y65 AromaticContact CE2-CD2 3.07Å; Y51-Y65 HydrophobicContact CE2-CD2 3.07Å; Y51-Y65 HydrophobicContact CE2-CE1 4.14Å; Y51-Y65 AromaticContact CE2-CE2 3.36Å; Y51-Y65 HydrophobicContact CE2-CE2 3.36Å; Y51-Y65 AromaticContact CE2-CG 3.36Å; Y51-Y65 HydrophobicContact CE2-CG 3.36Å; Y51-Y65 AromaticContact CE2-CZ 3.89Å; Y51-Y65 HydrophobicContact CG-CD2 4.26Å; Y51-Y65 HydrophobicContact CG-CG 4.45Å; Y51-Y65 AromaticContact CZ-CD1 3.54Å; Y51-Y65 AromaticContact CZ-CD2 3.56Å; Y51-Y65 AromaticContact CZ-CG 3.26Å; Y51-Y65 PolarHBondContact O-N 2.97Å; Y51-Y65 WeakPolarHBondContact OH-CD1 3.3Å; Y51-Y65 WeakPolarHBondContact OH-CE1 3.45Å
52	E	82.9	Confident	70.7	Confident	127 Å²	127	94.9 Å²	94.9	59%	0.593	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.6	171.8	64.6	-173	142.3	0	0	109.8	R63	E52-R63 WeakPolarHBondContact CA-O 3.15Å
53	K	82.4	Confident	72.6	Confident	130 Å²	130	94.1 Å²	94.1	57%	0.565	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	122.3	174.8	-172.3	175.9	-180	178.1	0	110.1	D55 R63 Y65	K53-D55 PolarHBondContact O-N 2.79Å; K53-R63 PolarHBondContact N-O 2.97Å; K53-R63 PolarHBondContact O-N 2.78Å; K53-Y65 HydrophobicContact CB-CE2 4.2Å
54	D	81.2	Confident	74.6	Confident	85 Å²	85	87.8 Å²	87.8	46%	0.455	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	132.9	170.3	-72.3	-77.6	0	0	0	110.5	G56 K77	D54-G56 PolarHBondContact O-N 2.86Å; D54-K77 WeakPolarHBondContact OD1-CE 3.3Å; D54-K77 IonicContact OD1-NZ 3.12Å; D54-K77 PolarHBondContact OD1-NZ 2.81Å
55	D	81.2	Confident	76.6	Confident	71 Å²	71	83.4 Å²	83.4	38%	0.38	42%	0.422	S	S	.	.	S	Bend	trans	-71.2	-25.6	177.1	-155.3	-90.2	0	0	0	111.4	K53 Y61 R63	K53-D55 PolarHBondContact O-N 2.79Å; D55-Y61 WeakPolarHBondContact CB-O 3.44Å; D55-Y61 PolarHBondContact N-O 2.9Å; D55-R63 IonicContact OD2-CZ 2.75Å; D55-R63 IonicContact OD2-NE 3.15Å; D55-R63 PolarHBondContact OD2-NE 2.88Å; D55-R63 IonicContact OD2-NH2 2.86Å; D55-R63 PolarHBondContact OD2-NH2 3.05Å
56	G	76.1	Confident	78.1	Confident	20 Å²	20	81 Å²	81	21%	0.206	40%	0.4	C	S	.	.			trans	170.2	167.1	171.6	0	0	0	0	0	111.8	D54 Q58 S59	D54-G56 PolarHBondContact O-N 2.86Å; G56-Q58 PolarHBondContact O-N 3Å; G56-S59 PolarHBondContact O-N 2.94Å
57	P	71.8	Confident	79	Confident	136 Å²	136	77 Å²	77	88%	0.883	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.8	-178.7	25.1	-33.6	0	0	0	113.6
58	Q	74.4	Confident	79.4	Confident	196 Å²	196	78.4 Å²	78.4	92%	0.916	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-3.1	179.5	-65.5	-172.7	-21.5	0	0	113.9	G56	G56-Q58 PolarHBondContact O-N 3Å
59	S	78.8	Confident	79.2	Confident	31 Å²	31	76.2 Å²	76.2	22%	0.217	39%	0.389	C	S	.	.			trans	-85.8	132	177.6	-172.6	0	0	0	0	109.1	G56 Y61	G56-S59 PolarHBondContact O-N 2.94Å; S59-Y61 PolarHBondContact O-N 3.24Å; S59-Y61 PolarHBondContact OG-N 3.42Å
60	S	79.5	Confident	79	Confident	57 Å²	57	82.5 Å²	82.5	40%	0.399	42%	0.423	S	S	.	.	S	Bend	trans	-76.5	14.1	168.9	58	0	0	0	0	112	D76 K77	S60-D76 CarbonylContact O-C 3.5Å; S60-D76 VanDerWaalsContact O-CA 3.3Å; S60-D76 WeakPolarHBondContact O-CA 3.44Å; S60-D76 VanDerWaalsContact O-CG 3.23Å; S60-K77 PolarHBondContact O-N 3.47Å
61	Y	84.6	Confident	79	Confident	110 Å²	110	83.3 Å²	83.3	43%	0.431	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.2	-176	-58.6	-74.9	0	0	0	111.7	D55 S59 L74 C75	D55-Y61 WeakPolarHBondContact CB-O 3.44Å; D55-Y61 PolarHBondContact N-O 2.9Å; S59-Y61 PolarHBondContact O-N 3.24Å; S59-Y61 PolarHBondContact OG-N 3.42Å; Y61-L74 HydrophobicContact CD1-CD2 4.03Å; Y61-L74 HydrophobicContact CD1-CG 4.29Å; Y61-L74 HydrophobicContact CG-CD2 3.97Å; Y61-L74 HydrophobicContact CG-CG 4.32Å; Y61-C75 CarbonylContact C-O 3.55Å; Y61-C75 WeakPolarHBondContact CA-O 2.97Å
62	M	83.5	Confident	79.3	Confident	14 Å²	14	82.4 Å²	82.4	7%	0.069	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.9	171.6	62.9	162.5	79.3	0	0	109.9	C75 K77	M62-C75 HydrophobicContact CG-CB 4.15Å; M62-C75 PolarHBondContact N-O 2.79Å; M62-C75 PolarHBondContact O-N 2.87Å; M62-K77 HydrophobicContact CE-CB 4.39Å; M62-K77 HydrophobicContact CE-CG 4.14Å; M62-K77 WeakPolarHBondContact CE-O 3.45Å
63	R	85.4	Confident	79.3	Confident	65 Å²	65	79.2 Å²	79.2	25%	0.245	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.8	177.3	-65.1	-179.8	-169.5	-129.4	-2.5	109.5	E52 K53 D55 Y65 Y72 L74	E52-R63 WeakPolarHBondContact CA-O 3.15Å; K53-R63 PolarHBondContact N-O 2.97Å; K53-R63 PolarHBondContact O-N 2.78Å; D55-R63 IonicContact OD2-CZ 2.75Å; D55-R63 IonicContact OD2-NE 3.15Å; D55-R63 PolarHBondContact OD2-NE 2.88Å; D55-R63 IonicContact OD2-NH2 2.86Å; D55-R63 PolarHBondContact OD2-NH2 3.05Å; R63-Y65 HydrophobicContact CB-CD2 4.36Å; R63-Y65 HydrophobicContact CB-CE2 3.66Å; R63-Y72 HydrophobicContact CB-CD2 4.19Å; R63-Y72 HydrophobicContact CB-CG 4.42Å; R63-Y72 HydrophobicContact CG-CD2 3.7Å; R63-Y72 HydrophobicContact CG-CE2 4.22Å; R63-Y72 HydrophobicContact CG-CG 4.29Å; R63-Y72 VanDerWaalsContact NH1-CE2 3.25Å; R63-Y72 PolarHBondContact NH1-OH 2.02Å; R63-L74 HydrophobicContact CG-CD1 3.63Å
64	C	85.9	Confident	79.3	Confident	0 Å²	0	77 Å²	77	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.4	173.6	-49.8	0	0	0	0	109.2	L49 Y66 Y72 I73 C75 C81	L49-C64 HydrophobicContact CD1-CB 4.09Å; C64-Y66 HydrophobicContact CB-CE2 3.68Å; C64-Y72 WeakPolarHBondContact O-CA 3.38Å; C64-I73 PolarHBondContact N-O 3.15Å; C64-I73 PolarHBondContact O-N 3.06Å; C64-C75 PolarHBondContact SG-SG 3.1Å; C64-C81 HydrophobicContact CB-CB 3.83Å; C64-C81 WeakPolarHBondContact CB-SG 3.39Å; C64-C81 WeakPolarHBondContact SG-CB 3.39Å; C64-C81 CovalentContact SG-SG 2.02Å; C64-C81 PolarHBondContact SG-SG 3.38Å
65	Y	85.1	Confident	79.5	Confident	45 Å²	45	73 Å²	73	18%	0.176	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.3	177.2	-65.6	-97.1	0	0	0	109.8	M50 Y51 K53 R63 Y72	M50-Y65 WeakPolarHBondContact CB-O 3.46Å; M50-Y65 PolarHBondContact N-O 2.86Å; Y51-Y65 HydrophobicContact CD1-CG 4.41Å; Y51-Y65 AromaticContact CD2-CD2 3.46Å; Y51-Y65 HydrophobicContact CD2-CD2 3.46Å; Y51-Y65 VanDerWaalsContact CD2-CD2 3.46Å; Y51-Y65 HydrophobicContact CD2-CE2 4Å; Y51-Y65 AromaticContact CD2-CG 3.97Å; Y51-Y65 HydrophobicContact CD2-CG 3.97Å; Y51-Y65 HydrophobicContact CE1-CD1 4.29Å; Y51-Y65 HydrophobicContact CE1-CD2 4.35Å; Y51-Y65 AromaticContact CE1-CG 3.84Å; Y51-Y65 HydrophobicContact CE1-CG 3.84Å; Y51-Y65 AromaticContact CE2-CD1 3.91Å; Y51-Y65 HydrophobicContact CE2-CD1 3.91Å; Y51-Y65 AromaticContact CE2-CD2 3.07Å; Y51-Y65 HydrophobicContact CE2-CD2 3.07Å; Y51-Y65 HydrophobicContact CE2-CE1 4.14Å; Y51-Y65 AromaticContact CE2-CE2 3.36Å; Y51-Y65 HydrophobicContact CE2-CE2 3.36Å; Y51-Y65 AromaticContact CE2-CG 3.36Å; Y51-Y65 HydrophobicContact CE2-CG 3.36Å; Y51-Y65 AromaticContact CE2-CZ 3.89Å; Y51-Y65 HydrophobicContact CG-CD2 4.26Å; Y51-Y65 HydrophobicContact CG-CG 4.45Å; Y51-Y65 AromaticContact CZ-CD1 3.54Å; Y51-Y65 AromaticContact CZ-CD2 3.56Å; Y51-Y65 AromaticContact CZ-CG 3.26Å; Y51-Y65 PolarHBondContact O-N 2.97Å; Y51-Y65 WeakPolarHBondContact OH-CD1 3.3Å; Y51-Y65 WeakPolarHBondContact OH-CE1 3.45Å; K53-Y65 HydrophobicContact CB-CE2 4.2Å; R63-Y65 HydrophobicContact CB-CD2 4.36Å; R63-Y65 HydrophobicContact CB-CE2 3.66Å; Y65-Y72 HydrophobicContact CE1-CD1 4.38Å; Y65-Y72 HydrophobicContact CE1-CG 4.43Å
66	Y	82.7	Confident	79.6	Confident	10 Å²	10	72.1 Å²	72.1	4%	0.039	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	152.8	-179.8	-65.7	-89.5	0	0	0	110.7	R47 L49 C64 D68 I73 C82 G85	R47-Y66 HydrophobicContact CB-CD1 4.22Å; L49-Y66 HydrophobicContact CD1-CE1 4.29Å; C64-Y66 HydrophobicContact CB-CE2 3.68Å; Y66-D68 WeakPolarHBondContact CB-OD1 3.34Å; Y66-D68 PolarHBondContact O-N 2.91Å; Y66-I73 HydrophobicContact CD2-CD1 4.11Å; Y66-I73 HydrophobicContact CD2-CG1 4.38Å; Y66-I73 HydrophobicContact CE2-CB 4.29Å; Y66-I73 HydrophobicContact CE2-CD1 3.81Å; Y66-I73 HydrophobicContact CE2-CG1 4.2Å; Y66-C82 WeakPolarHBondContact CE1-O 3.05Å; Y66-C82 PolarHBondContact OH-O 2.02Å; Y66-G85 WeakPolarHBondContact OH-CA 3.37Å; Y66-G85 PolarHBondContact OH-O 2.87Å; Y66-G85 VanDerWaalsContact OH-O 3.06Å
67	S	77.6	Confident	79.7	Confident	82 Å²	82	75.8 Å²	75.8	57%	0.573	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28	-177.5	-174	0	0	0	0	114.2	H48	H48-S67 PolarHBondContact O-N 3.37Å
68	D	72.4	Confident	79.9	Confident	90 Å²	90	76.2 Å²	76.2	48%	0.481	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-15.4	-167.7	68.9	-42.1	0	0	0	114.9	R47 Y66	R47-D68 VanDerWaalsContact CZ-CG 3.49Å; R47-D68 IonicContact CZ-OD1 2.97Å; R47-D68 IonicContact CZ-OD2 2.77Å; R47-D68 IonicContact NE-OD1 2.61Å; R47-D68 PolarHBondContact NE-OD1 3.4Å; R47-D68 IonicContact NE-OD2 2.66Å; R47-D68 PolarHBondContact NE-OD2 3.34Å; R47-D68 IonicContact NH1-OD2 2.71Å; R47-D68 IonicContact NH2-OD1 2.82Å; R47-D68 PolarHBondContact NH2-OD1 3.36Å; R47-D68 IonicContact NH2-OD2 3.91Å; R47-D68 PolarHBondContact NH2-OD2 3.32Å; Y66-D68 WeakPolarHBondContact CB-OD1 3.34Å; Y66-D68 PolarHBondContact O-N 2.91Å
69	I	67.8	Low	79.9	Confident	66 Å²	66	68.5 Å²	68.5	34%	0.338	35%	0.346	S	S	.	.			trans	-130.2	130.2	-179	-44	-175.5	0	0	0	110.2	N71	I69-N71 HydrophobicContact CB-CB 4.49Å; I69-N71 HydrophobicContact CG2-CB 3.57Å; I69-N71 WeakPolarHBondContact CG2-ND2 3.45Å; I69-N71 PolarHBondContact O-N 3.16Å
70	N	70.1	Confident	79.9	Confident	175 Å²	175	67.8 Å²	67.8	94%	0.936	34%	0.344	S	S	*	.	S	Bend	trans	-63.9	4	166.5	-70.3	-51.8	0	0	0	113.5
71	N	78.8	Confident	80.1	Confident	113 Å²	113	66 Å²	66	60%	0.604	33%	0.331	S	S	*	.	S	Bend	trans	-105.3	140.3	178.5	-63.6	-47.7	0	0	0	109.3	I69	I69-N71 HydrophobicContact CB-CB 4.49Å; I69-N71 HydrophobicContact CG2-CB 3.57Å; I69-N71 WeakPolarHBondContact CG2-ND2 3.45Å; I69-N71 PolarHBondContact O-N 3.16Å
72	Y	82.9	Confident	80	Confident	107 Å²	107	63 Å²	63	42%	0.42	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	144.3	170.9	57.3	-83.4	0	0	0	109.7	R63 C64 Y65 L74	R63-Y72 HydrophobicContact CB-CD2 4.19Å; R63-Y72 HydrophobicContact CB-CG 4.42Å; R63-Y72 HydrophobicContact CG-CD2 3.7Å; R63-Y72 HydrophobicContact CG-CE2 4.22Å; R63-Y72 HydrophobicContact CG-CG 4.29Å; R63-Y72 VanDerWaalsContact NH1-CE2 3.25Å; R63-Y72 PolarHBondContact NH1-OH 2.02Å; C64-Y72 WeakPolarHBondContact O-CA 3.38Å; Y65-Y72 HydrophobicContact CE1-CD1 4.38Å; Y65-Y72 HydrophobicContact CE1-CG 4.43Å; Y72-L74 HydrophobicContact CD2-CD1 4.36Å; Y72-L74 HydrophobicContact CE2-CD1 4.24Å
73	I	84.1	Confident	79.5	Confident	61 Å²	61	67.1 Å²	67.1	31%	0.313	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.2	166.2	-59.2	179	0	0	0	107	C64 Y66	C64-I73 PolarHBondContact N-O 3.15Å; C64-I73 PolarHBondContact O-N 3.06Å; Y66-I73 HydrophobicContact CD2-CD1 4.11Å; Y66-I73 HydrophobicContact CD2-CG1 4.38Å; Y66-I73 HydrophobicContact CE2-CB 4.29Å; Y66-I73 HydrophobicContact CE2-CD1 3.81Å; Y66-I73 HydrophobicContact CE2-CG1 4.2Å
74	L	81.7	Confident	79	Confident	83 Å²	83	69.7 Å²	69.7	44%	0.435	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	112.8	174.7	-153.1	75.2	0	0	0	108	Y61 R63 Y72	Y61-L74 HydrophobicContact CD1-CD2 4.03Å; Y61-L74 HydrophobicContact CD1-CG 4.29Å; Y61-L74 HydrophobicContact CG-CD2 3.97Å; Y61-L74 HydrophobicContact CG-CG 4.32Å; R63-L74 HydrophobicContact CG-CD1 3.63Å; Y72-L74 HydrophobicContact CD2-CD1 4.36Å; Y72-L74 HydrophobicContact CE2-CD1 4.24Å
75	C	84.9	Confident	78.6	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.007	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	153.9	176.2	-65.2	0	0	0	0	109.8	Y61 M62 C64 C86	Y61-C75 CarbonylContact C-O 3.55Å; Y61-C75 WeakPolarHBondContact CA-O 2.97Å; M62-C75 HydrophobicContact CG-CB 4.15Å; M62-C75 PolarHBondContact N-O 2.79Å; M62-C75 PolarHBondContact O-N 2.87Å; C64-C75 PolarHBondContact SG-SG 3.1Å; C75-C86 WeakPolarHBondContact CA-SG 3.43Å; C75-C86 HydrophobicContact CB-CB 3.69Å; C75-C86 WeakPolarHBondContact CB-SG 3.47Å; C75-C86 WeakPolarHBondContact SG-CA 3.04Å; C75-C86 WeakPolarHBondContact SG-CB 3.23Å; C75-C86 CovalentContact SG-SG 2.02Å; C75-C86 PolarHBondContact SG-SG 2.74Å
76	D	83.8	Confident	78.4	Confident	52 Å²	52	70.6 Å²	70.6	28%	0.278	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	140.7	171.7	-163.4	-56.8	0	0	0	108.7	S60 Q78 T79 G80	S60-D76 CarbonylContact O-C 3.5Å; S60-D76 VanDerWaalsContact O-CA 3.3Å; S60-D76 WeakPolarHBondContact O-CA 3.44Å; S60-D76 VanDerWaalsContact O-CG 3.23Å; D76-Q78 PolarHBondContact O-N 2.75Å; D76-Q78 VanDerWaalsContact O-N 3.15Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.02Å; D76-Q78 PolarHBondContact OD1-N 2.86Å; D76-T79 WeakPolarHBondContact CA-OG1 3.33Å; D76-T79 VanDerWaalsContact CB-OG1 3.3Å; D76-T79 WeakPolarHBondContact CB-OG1 3.06Å; D76-T79 PolarHBondContact N-OG1 2.77Å; D76-T79 VanDerWaalsContact N-OG1 3.16Å; D76-T79 PolarHBondContact O-N 3.32Å; D76-T79 PolarHBondContact O-OG1 2.98Å; D76-G80 PolarHBondContact O-N 2.66Å; D76-G80 VanDerWaalsContact O-N 3.1Å
77	K	78.6	Confident	78.4	Confident	97 Å²	97	71.7 Å²	71.7	42%	0.422	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.8	175.3	-172.1	168.2	-178.5	144.5	0	111.7	D54 S60 M62	D54-K77 WeakPolarHBondContact OD1-CE 3.3Å; D54-K77 IonicContact OD1-NZ 3.12Å; D54-K77 PolarHBondContact OD1-NZ 2.81Å; S60-K77 PolarHBondContact O-N 3.47Å; M62-K77 HydrophobicContact CE-CB 4.39Å; M62-K77 HydrophobicContact CE-CG 4.14Å; M62-K77 WeakPolarHBondContact CE-O 3.45Å
78	Q	75.7	Confident	78	Confident	146 Å²	146	71.7 Å²	71.7	68%	0.682	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-28.8	176.4	-62.8	-169.1	2.2	0	0	113.5	D76 R89	D76-Q78 PolarHBondContact O-N 2.75Å; D76-Q78 VanDerWaalsContact O-N 3.15Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.02Å; D76-Q78 PolarHBondContact OD1-N 2.86Å; Q78-R89 WeakPolarHBondContact O-CD 3.23Å
79	T	73.9	Confident	77.6	Confident	34 Å²	34	73.9 Å²	73.9	21%	0.209	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-40.2	-178.4	39.4	0	0	0	0	111.5	D76 C87 R89	D76-T79 WeakPolarHBondContact CA-OG1 3.33Å; D76-T79 VanDerWaalsContact CB-OG1 3.3Å; D76-T79 WeakPolarHBondContact CB-OG1 3.06Å; D76-T79 PolarHBondContact N-OG1 2.77Å; D76-T79 VanDerWaalsContact N-OG1 3.16Å; D76-T79 PolarHBondContact O-N 3.32Å; D76-T79 PolarHBondContact O-OG1 2.98Å; T79-C87 CarbonylContact C-O 3.58Å; T79-C87 WeakPolarHBondContact CA-O 3.01Å; T79-C87 WeakPolarHBondContact CB-O 3.34Å; T79-C87 VanDerWaalsContact CG2-O 3.23Å; T79-C87 WeakPolarHBondContact CG2-O 3.02Å; T79-C87 VanDerWaalsContact O-CB 3.23Å; T79-C87 WeakPolarHBondContact O-CB 3.49Å; T79-C87 VanDerWaalsContact O-O 3.08Å; T79-R89 HydrophobicContact CG2-CB 4.44Å
80	G	79.1	Confident	77.2	Confident	16 Å²	16	73.7 Å²	73.7	17%	0.165	40%	0.395	C	S	.	.			trans	77.1	170.4	-177.5	0	0	0	0	0	113.2	D76 C86 C87	D76-G80 PolarHBondContact O-N 2.66Å; D76-G80 VanDerWaalsContact O-N 3.1Å; G80-C86 WeakPolarHBondContact O-CA 3.32Å; G80-C87 PolarHBondContact O-N 2.02Å
81	C	83.2	Confident	76.9	Confident	20 Å²	20	72.2 Å²	72.2	14%	0.135	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	133.5	179.7	-51.8	0	0	0	0	111.4	L49 C64 C87	L49-C81 HydrophobicContact CD1-CB 3.6Å; L49-C81 HydrophobicContact CD2-CB 3.74Å; L49-C81 HydrophobicContact CG-CB 4.33Å; C64-C81 HydrophobicContact CB-CB 3.83Å; C64-C81 WeakPolarHBondContact CB-SG 3.39Å; C64-C81 WeakPolarHBondContact SG-CB 3.39Å; C64-C81 CovalentContact SG-SG 2.02Å; C64-C81 PolarHBondContact SG-SG 3.38Å; C81-C87 PolarHBondContact O-SG 3.12Å; C81-C87 VanDerWaalsContact O-SG 3.38Å
82	C	82.1	Confident	76.3	Confident	47 Å²	47	72.9 Å²	72.9	32%	0.318	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	161.6	174.9	-86.2	0	0	0	0	109.9	Y66 T84 G85 C87	Y66-C82 WeakPolarHBondContact CE1-O 3.05Å; Y66-C82 PolarHBondContact OH-O 2.02Å; C82-T84 PolarHBondContact O-N 2.79Å; C82-G85 CarbonylContact C-O 3.46Å; C82-G85 WeakPolarHBondContact CA-O 3.35Å; C82-G85 WeakPolarHBondContact CB-O 3.09Å; C82-G85 PolarHBondContact N-O 3.38Å; C82-G85 PolarHBondContact O-N 2.74Å; C82-C87 VanDerWaalsContact CA-SG 3.58Å; C82-C87 HydrophobicContact CB-CB 4.04Å; C82-C87 WeakPolarHBondContact CB-SG 3.42Å; C82-C87 PolarHBondContact N-SG 3Å; C82-C87 VanDerWaalsContact N-SG 3.38Å; C82-C87 WeakPolarHBondContact SG-CB 3.04Å; C82-C87 CovalentContact SG-SG 2.02Å; C82-C87 PolarHBondContact SG-SG 3.02Å
83	D	74.4	Confident	75.4	Confident	100 Å²	100	74.6 Å²	74.6	54%	0.535	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.3	-179.6	-67.2	-39.1	0	0	0	113.8
84	T	74	Confident	74.6	Confident	119 Å²	119	76.3 Å²	76.3	73%	0.73	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.2	-179.8	54.7	0	0	0	0	114.4	C82	C82-T84 PolarHBondContact O-N 2.79Å
85	G	77.2	Confident	74.5	Confident	11 Å²	11	74 Å²	74	11%	0.113	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.7	-148.5	-174.5	0	0	0	0	0	112.7	Y66 C82	Y66-G85 WeakPolarHBondContact OH-CA 3.37Å; Y66-G85 PolarHBondContact OH-O 2.87Å; Y66-G85 VanDerWaalsContact OH-O 3.06Å; C82-G85 CarbonylContact C-O 3.46Å; C82-G85 WeakPolarHBondContact CA-O 3.35Å; C82-G85 WeakPolarHBondContact CB-O 3.09Å; C82-G85 PolarHBondContact N-O 3.38Å; C82-G85 PolarHBondContact O-N 2.74Å
86	C	81.9	Confident	74.5	Confident	52 Å²	52	76.1 Å²	76.1	35%	0.351	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	133.3	173.9	-48.5	0	0	0	0	109.8	C75 G80 S88	C75-C86 WeakPolarHBondContact CA-SG 3.43Å; C75-C86 HydrophobicContact CB-CB 3.69Å; C75-C86 WeakPolarHBondContact CB-SG 3.47Å; C75-C86 WeakPolarHBondContact SG-CA 3.04Å; C75-C86 WeakPolarHBondContact SG-CB 3.23Å; C75-C86 CovalentContact SG-SG 2.02Å; C75-C86 PolarHBondContact SG-SG 2.74Å; G80-C86 WeakPolarHBondContact O-CA 3.32Å; C86-S88 PolarHBondContact O-N 2.72Å; C86-S88 VanDerWaalsContact O-N 3.12Å
87	C	81.6	Confident	74.8	Confident	34 Å²	34	77.3 Å²	77.3	23%	0.23	43%	0.427	C	S	.	.			trans	-70.8	113	176.2	-43.2	0	0	0	0	108.6	T79 G80 C81 C82 R89	T79-C87 CarbonylContact C-O 3.58Å; T79-C87 WeakPolarHBondContact CA-O 3.01Å; T79-C87 WeakPolarHBondContact CB-O 3.34Å; T79-C87 VanDerWaalsContact CG2-O 3.23Å; T79-C87 WeakPolarHBondContact CG2-O 3.02Å; T79-C87 VanDerWaalsContact O-CB 3.23Å; T79-C87 WeakPolarHBondContact O-CB 3.49Å; T79-C87 VanDerWaalsContact O-O 3.08Å; G80-C87 PolarHBondContact O-N 2.02Å; C81-C87 PolarHBondContact O-SG 3.12Å; C81-C87 VanDerWaalsContact O-SG 3.38Å; C82-C87 VanDerWaalsContact CA-SG 3.58Å; C82-C87 HydrophobicContact CB-CB 4.04Å; C82-C87 WeakPolarHBondContact CB-SG 3.42Å; C82-C87 PolarHBondContact N-SG 3Å; C82-C87 VanDerWaalsContact N-SG 3.38Å; C82-C87 WeakPolarHBondContact SG-CB 3.04Å; C82-C87 CovalentContact SG-SG 2.02Å; C82-C87 PolarHBondContact SG-SG 3.02Å; C87-R89 VanDerWaalsContact C-N 3.26Å; C87-R89 PolarHBondContact O-N 2.78Å
88	S	70	Confident	75.4	Confident	81 Å²	81	80.9 Å²	80.9	57%	0.566	44%	0.439	S	S	*	.			trans	-63	94	168.5	-92.3	0	0	0	0	108.9	C86 D90	C86-S88 PolarHBondContact O-N 2.72Å; C86-S88 VanDerWaalsContact O-N 3.12Å; S88-D90 WeakPolarHBondContact CB-OD2 3.39Å; S88-D90 PolarHBondContact O-N 3.35Å; S88-D90 PolarHBondContact OG-OD2 2.95Å
89	R	63.1	Low	76.1	Confident	136 Å²	136	78.6 Å²	78.6	51%	0.513	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	2.5	163.9	-159.4	175.9	175.4	154.7	10.6	111.4	Q78 T79 C87 L91 E92	Q78-R89 WeakPolarHBondContact O-CD 3.23Å; T79-R89 HydrophobicContact CG2-CB 4.44Å; C87-R89 VanDerWaalsContact C-N 3.26Å; C87-R89 PolarHBondContact O-N 2.78Å; R89-L91 PolarHBondContact O-N 2.63Å; R89-E92 HydrophobicContact CG-CB 4.5Å; R89-E92 HydrophobicContact CG-CG 4.36Å; R89-E92 IonicContact CZ-OE2 2.7Å; R89-E92 IonicContact NE-OE2 2.96Å; R89-E92 PolarHBondContact NE-OE2 2.69Å; R89-E92 IonicContact NH2-OE1 3.82Å; R89-E92 IonicContact NH2-OE2 2.74Å; R89-E92 PolarHBondContact NH2-OE2 3.46Å; R89-E92 PolarHBondContact O-N 3Å
90	D	60.8	Low	77	Confident	62 Å²	62	82.5 Å²	82.5	33%	0.332	45%	0.453	S	S	.	.	H	α-helix	trans	-51.5	-27.5	176	-56.4	-46.9	0	0	0	114.1	S88 E92 W93 M94	S88-D90 WeakPolarHBondContact CB-OD2 3.39Å; S88-D90 PolarHBondContact O-N 3.35Å; S88-D90 PolarHBondContact OG-OD2 2.95Å; D90-E92 VanDerWaalsContact C-N 3.32Å; D90-E92 PolarHBondContact O-N 2.94Å; D90-W93 HydrophobicContact CB-CZ2 3.73Å; D90-W93 VanDerWaalsContact OD1-CE2 3.24Å; D90-W93 VanDerWaalsContact OD1-CZ2 3.23Å; D90-W93 WeakPolarHBondContact OD1-CZ2 3.23Å; D90-W93 PolarHBondContact OD1-NE1 2.93Å; D90-M94 WeakPolarHBondContact O-CB 3.43Å; D90-M94 WeakPolarHBondContact O-CG 3.03Å; D90-M94 PolarHBondContact O-N 3.14Å
91	L	62.5	Low	77.7	Confident	145 Å²	145	85.9 Å²	85.9	76%	0.759	47%	0.471	S	S	*	.	H	α-helix	trans	-60.4	-34.7	175	-109.8	70.4	0	0	0	114.4	R89 G95	R89-L91 PolarHBondContact O-N 2.63Å; L91-G95 PolarHBondContact O-N 3.33Å
92	E	65.8	Low	78.2	Confident	126 Å²	126	86.7 Å²	86.7	59%	0.589	48%	0.479	S	S	*	.	H	α-helix	trans	-74.5	-45.3	-175.8	-70.3	-168.7	149.5	0	0	112	R89 D90 G95 G96	R89-E92 HydrophobicContact CG-CB 4.5Å; R89-E92 HydrophobicContact CG-CG 4.36Å; R89-E92 IonicContact CZ-OE2 2.7Å; R89-E92 IonicContact NE-OE2 2.96Å; R89-E92 PolarHBondContact NE-OE2 2.69Å; R89-E92 IonicContact NH2-OE1 3.82Å; R89-E92 IonicContact NH2-OE2 2.74Å; R89-E92 PolarHBondContact NH2-OE2 3.46Å; R89-E92 PolarHBondContact O-N 3Å; D90-E92 VanDerWaalsContact C-N 3.32Å; D90-E92 PolarHBondContact O-N 2.94Å; E92-G95 PolarHBondContact O-N 3.34Å; E92-G96 PolarHBondContact O-N 3.19Å
93	W	65.4	Low	78.9	Confident	144 Å²	144	90.9 Å²	90.9	55%	0.545	49%	0.492	S	S	.	.	H	α-helix	trans	-74.3	-37.2	177.4	63.6	-100.8	0	0	0	111.8	D90 G95 G96 V97	D90-W93 HydrophobicContact CB-CZ2 3.73Å; D90-W93 VanDerWaalsContact OD1-CE2 3.24Å; D90-W93 VanDerWaalsContact OD1-CZ2 3.23Å; D90-W93 WeakPolarHBondContact OD1-CZ2 3.23Å; D90-W93 PolarHBondContact OD1-NE1 2.93Å; W93-G95 PolarHBondContact O-N 3.05Å; W93-G96 PolarHBondContact O-N 3.37Å; W93-V97 WeakPolarHBondContact O-CG2 3.25Å; W93-V97 PolarHBondContact O-N 3.34Å
94	M	67.6	Low	80	Confident	96 Å²	96	89.5 Å²	89.5	47%	0.473	49%	0.487	S	S	.	.	H	α-helix	trans	-62.4	-31	171.6	-71.8	-70.5	-146	0	0	111.8	D90 V97 Y98	D90-M94 WeakPolarHBondContact O-CB 3.43Å; D90-M94 WeakPolarHBondContact O-CG 3.03Å; D90-M94 PolarHBondContact O-N 3.14Å; M94-V97 PolarHBondContact O-N 2.89Å; M94-Y98 VanDerWaalsContact O-CB 3.25Å; M94-Y98 WeakPolarHBondContact O-CB 3.01Å; M94-Y98 PolarHBondContact O-N 2.84Å
95	G	79.7	Confident	81	Confident	34 Å²	34	86.2 Å²	86.2	35%	0.351	47%	0.472	S	S	.	.	H	α-helix	trans	-60.3	-48.2	175.4	0	0	0	0	0	112.2	L91 E92 W93 Y98 V99	L91-G95 PolarHBondContact O-N 3.33Å; E92-G95 PolarHBondContact O-N 3.34Å; W93-G95 PolarHBondContact O-N 3.05Å; G95-Y98 PolarHBondContact O-N 3.39Å; G95-V99 WeakPolarHBondContact O-CG2 3.33Å; G95-V99 PolarHBondContact O-N 3.3Å; G95-V99 VanDerWaalsContact O-N 3.11Å
96	G	84.5	Confident	82	Confident	46 Å²	46	90.8 Å²	90.8	47%	0.474	49%	0.493	S	S	.	.	H	α-helix	trans	-63.1	-43.3	176.7	0	0	0	0	0	112.9	E92 W93 V99 L100	E92-G96 PolarHBondContact O-N 3.19Å; W93-G96 PolarHBondContact O-N 3.37Å; G96-V99 PolarHBondContact O-N 3.11Å; G96-L100 PolarHBondContact O-N 2.91Å; G96-L100 VanDerWaalsContact O-N 3.14Å
97	V	89.6	Confident	82.6	Confident	77 Å²	77	92.8 Å²	92.8	47%	0.467	50%	0.499	S	S	.	.	H	α-helix	trans	-63.2	-43.1	177.2	177.2	0	0	0	0	110.9	W93 M94 V99 L100 V101	W93-V97 WeakPolarHBondContact O-CG2 3.25Å; W93-V97 PolarHBondContact O-N 3.34Å; M94-V97 PolarHBondContact O-N 2.89Å; V97-V99 VanDerWaalsContact C-N 3.34Å; V97-V99 PolarHBondContact O-N 3.22Å; V97-L100 PolarHBondContact O-N 3.44Å; V97-V101 HydrophobicContact CG1-CG2 4.18Å; V97-V101 VanDerWaalsContact O-CG2 3.28Å; V97-V101 WeakPolarHBondContact O-CG2 3.28Å; V97-V101 PolarHBondContact O-N 3.41Å
98	Y	90.5	Very high	83.4	Confident	173 Å²	173	94.4 Å²	94.4	68%	0.678	51%	0.508	S	S	*	.	H	α-helix	trans	-60.8	-43.1	178.7	-178	-99.6	0	0	0	112.1	M94 G95 L100 V101 A102	M94-Y98 VanDerWaalsContact O-CB 3.25Å; M94-Y98 WeakPolarHBondContact O-CB 3.01Å; M94-Y98 PolarHBondContact O-N 2.84Å; G95-Y98 PolarHBondContact O-N 3.39Å; Y98-L100 VanDerWaalsContact C-N 3.33Å; Y98-L100 PolarHBondContact O-N 3.36Å; Y98-V101 PolarHBondContact O-N 3.45Å; Y98-A102 VanDerWaalsContact O-CB 3.27Å; Y98-A102 WeakPolarHBondContact O-CB 3.42Å; Y98-A102 PolarHBondContact O-N 2.99Å
99	V	91.3	Very high	84.6	Confident	98 Å²	98	94.9 Å²	94.9	59%	0.594	51%	0.507	S	S	*	.	H	α-helix	trans	-61.7	-42.9	176.5	173.6	0	0	0	0	111.1	G95 G96 V97 A102 F103	G95-V99 WeakPolarHBondContact O-CG2 3.33Å; G95-V99 PolarHBondContact O-N 3.3Å; G95-V99 VanDerWaalsContact O-N 3.11Å; G96-V99 PolarHBondContact O-N 3.11Å; V97-V99 VanDerWaalsContact C-N 3.34Å; V97-V99 PolarHBondContact O-N 3.22Å; V99-A102 PolarHBondContact O-N 3.46Å; V99-F103 WeakPolarHBondContact O-CB 3.39Å; V99-F103 PolarHBondContact O-N 3.38Å
100	L	92.9	Very high	86.2	Confident	115 Å²	115	92.4 Å²	92.4	60%	0.602	51%	0.507	S	S	*	.	H	α-helix	trans	-65.3	-45.7	178.5	-156.1	162.7	0	0	0	111.2	G96 V97 Y98 A102 F103 V104	G96-L100 PolarHBondContact O-N 2.91Å; G96-L100 VanDerWaalsContact O-N 3.14Å; V97-L100 PolarHBondContact O-N 3.44Å; Y98-L100 VanDerWaalsContact C-N 3.33Å; Y98-L100 PolarHBondContact O-N 3.36Å; L100-A102 PolarHBondContact O-N 3.04Å; L100-F103 PolarHBondContact O-N 2.91Å; L100-V104 HydrophobicContact CD2-CG2 4.03Å; L100-V104 WeakPolarHBondContact O-CG2 3.27Å; L100-V104 PolarHBondContact O-N 2.78Å
101	V	93.6	Very high	87.8	Confident	88 Å²	88	91 Å²	91	53%	0.533	51%	0.507	S	S	.	.	H	α-helix	trans	-61.5	-44.9	176.7	172.1	0	0	0	0	111.2	V97 Y98 F103 V104 A105	V97-V101 HydrophobicContact CG1-CG2 4.18Å; V97-V101 VanDerWaalsContact O-CG2 3.28Å; V97-V101 WeakPolarHBondContact O-CG2 3.28Å; V97-V101 PolarHBondContact O-N 3.41Å; Y98-V101 PolarHBondContact O-N 3.45Å; V101-F103 VanDerWaalsContact C-N 3.33Å; V101-F103 PolarHBondContact O-N 3.3Å; V101-V104 PolarHBondContact O-N 3.42Å; V101-A105 WeakPolarHBondContact O-CB 3.4Å; V101-A105 PolarHBondContact O-N 3.5Å
102	A	94.4	Very high	89.3	Confident	37 Å²	37	90.5 Å²	90.5	31%	0.306	50%	0.499	S	S	.	.	H	α-helix	trans	-60.9	-42.7	177.4	0	0	0	0	0	111.7	Y98 V99 L100 A105 I106	Y98-A102 VanDerWaalsContact O-CB 3.27Å; Y98-A102 WeakPolarHBondContact O-CB 3.42Å; Y98-A102 PolarHBondContact O-N 2.99Å; V99-A102 PolarHBondContact O-N 3.46Å; L100-A102 PolarHBondContact O-N 3.04Å; A102-A105 PolarHBondContact O-N 2.85Å; A102-I106 WeakPolarHBondContact O-CG1 3.28Å; A102-I106 PolarHBondContact O-N 3.24Å
103	F	96.5	Very high	90.6	Very high	134 Å²	134	88.5 Å²	88.5	59%	0.588	50%	0.495	S	S	*	.	H	α-helix	trans	-62.3	-46.1	177.6	-175.8	-107	0	0	0	112.3	V99 L100 V101 A105 I106 I107	V99-F103 WeakPolarHBondContact O-CB 3.39Å; V99-F103 PolarHBondContact O-N 3.38Å; L100-F103 PolarHBondContact O-N 2.91Å; V101-F103 VanDerWaalsContact C-N 3.33Å; V101-F103 PolarHBondContact O-N 3.3Å; F103-A105 VanDerWaalsContact C-N 3.34Å; F103-A105 PolarHBondContact O-N 3.46Å; F103-I106 PolarHBondContact O-N 3.3Å; F103-I107 HydrophobicContact CD1-CD1 3.81Å; F103-I107 HydrophobicContact CE1-CD1 3.35Å; F103-I107 HydrophobicContact CE1-CG1 4.45Å; F103-I107 HydrophobicContact CE2-CD1 4.45Å; F103-I107 HydrophobicContact CZ-CD1 3.71Å; F103-I107 PolarHBondContact O-N 3.37Å; F103-I107 VanDerWaalsContact O-N 3.14Å
104	V	96.6	Very high	91.9	Very high	72 Å²	72	85.3 Å²	85.3	44%	0.436	49%	0.492	S	S	.	.	H	α-helix	trans	-63.2	-41.6	176.4	174.1	0	0	0	0	111	L100 V101 I106 I107 V108	L100-V104 HydrophobicContact CD2-CG2 4.03Å; L100-V104 WeakPolarHBondContact O-CG2 3.27Å; L100-V104 PolarHBondContact O-N 2.78Å; V101-V104 PolarHBondContact O-N 3.42Å; V104-I106 VanDerWaalsContact C-N 3.32Å; V104-I106 PolarHBondContact O-N 3.39Å; V104-I107 PolarHBondContact O-N 2.91Å; V104-V108 HydrophobicContact CG1-CG2 4.23Å; V104-V108 WeakPolarHBondContact O-CB 3.48Å; V104-V108 VanDerWaalsContact O-CG2 3.28Å; V104-V108 WeakPolarHBondContact O-CG2 3.42Å; V104-V108 PolarHBondContact O-N 3.25Å
105	A	96.3	Very high	93	Very high	50 Å²	50	83.3 Å²	83.3	41%	0.413	49%	0.491	S	S	.	.	H	α-helix	trans	-59.2	-42.3	177.1	0	0	0	0	0	112	V101 A102 F103 V108 V109	V101-A105 WeakPolarHBondContact O-CB 3.4Å; V101-A105 PolarHBondContact O-N 3.5Å; A102-A105 PolarHBondContact O-N 2.85Å; F103-A105 VanDerWaalsContact C-N 3.34Å; F103-A105 PolarHBondContact O-N 3.46Å; A105-V108 PolarHBondContact O-N 3.41Å; A105-V109 VanDerWaalsContact O-CG2 3.3Å; A105-V109 WeakPolarHBondContact O-CG2 3.36Å; A105-V109 PolarHBondContact O-N 3.14Å
106	I	96.5	Very high	93.5	Very high	107 Å²	107	86 Å²	86	55%	0.549	50%	0.496	S	S	.	.	H	α-helix	trans	-62.4	-46.9	176.3	-67.7	167.8	0	0	0	111	A102 F103 V104 V108 V109 V110	A102-I106 WeakPolarHBondContact O-CG1 3.28Å; A102-I106 PolarHBondContact O-N 3.24Å; F103-I106 PolarHBondContact O-N 3.3Å; V104-I106 VanDerWaalsContact C-N 3.32Å; V104-I106 PolarHBondContact O-N 3.39Å; I106-V108 VanDerWaalsContact C-N 3.3Å; I106-V108 PolarHBondContact O-N 3.05Å; I106-V109 PolarHBondContact O-N 3.48Å; I106-V110 HydrophobicContact CG2-CG2 4.39Å; I106-V110 WeakPolarHBondContact O-CG2 3.31Å; I106-V110 PolarHBondContact O-N 3.33Å
107	I	96.5	Very high	93.8	Very high	93 Å²	93	87.9 Å²	87.9	48%	0.477	50%	0.498	S	S	.	.	H	α-helix	trans	-60.5	-43.1	178.6	-68.2	172	0	0	0	110.8	F103 V104 V110 G111	F103-I107 HydrophobicContact CD1-CD1 3.81Å; F103-I107 HydrophobicContact CE1-CD1 3.35Å; F103-I107 HydrophobicContact CE1-CG1 4.45Å; F103-I107 HydrophobicContact CE2-CD1 4.45Å; F103-I107 HydrophobicContact CZ-CD1 3.71Å; F103-I107 PolarHBondContact O-N 3.37Å; F103-I107 VanDerWaalsContact O-N 3.14Å; V104-I107 PolarHBondContact O-N 2.91Å; I107-V110 PolarHBondContact O-N 2.96Å; I107-G111 PolarHBondContact O-N 2.94Å
108	V	96.4	Very high	93.6	Very high	68 Å²	68	87.9 Å²	87.9	41%	0.412	50%	0.501	S	S	.	.	H	α-helix	trans	-61	-47.9	177.5	170.1	0	0	0	0	110.1	V104 A105 I106 V110 G111 F112	V104-V108 HydrophobicContact CG1-CG2 4.23Å; V104-V108 WeakPolarHBondContact O-CB 3.48Å; V104-V108 VanDerWaalsContact O-CG2 3.28Å; V104-V108 WeakPolarHBondContact O-CG2 3.42Å; V104-V108 PolarHBondContact O-N 3.25Å; A105-V108 PolarHBondContact O-N 3.41Å; I106-V108 VanDerWaalsContact C-N 3.3Å; I106-V108 PolarHBondContact O-N 3.05Å; V108-V110 PolarHBondContact O-N 2.81Å; V108-G111 PolarHBondContact O-N 2.97Å; V108-F112 HydrophobicContact CG1-CD2 3.47Å; V108-F112 VanDerWaalsContact CG1-CD2 3.47Å; V108-F112 HydrophobicContact CG1-CE2 3.49Å; V108-F112 VanDerWaalsContact CG1-CE2 3.49Å; V108-F112 WeakPolarHBondContact O-CB 3.3Å; V108-F112 WeakPolarHBondContact O-CD2 3.36Å; V108-F112 PolarHBondContact O-N 3.41Å
109	V	96.1	Very high	93.3	Very high	92 Å²	92	86.7 Å²	86.7	56%	0.558	50%	0.496	S	S	*	.	H	α-helix	trans	-59.9	-47.9	177.8	172.3	0	0	0	0	111.6	A105 I106 G111 F112 V113	A105-V109 VanDerWaalsContact O-CG2 3.3Å; A105-V109 WeakPolarHBondContact O-CG2 3.36Å; A105-V109 PolarHBondContact O-N 3.14Å; I106-V109 PolarHBondContact O-N 3.48Å; V109-G111 VanDerWaalsContact C-N 3.34Å; V109-G111 PolarHBondContact O-N 2.88Å; V109-F112 PolarHBondContact O-N 2.92Å; V109-V113 VanDerWaalsContact O-CG2 3.31Å; V109-V113 WeakPolarHBondContact O-CG2 3.12Å; V109-V113 PolarHBondContact O-N 2.79Å
110	V	95.8	Very high	92.8	Very high	84 Å²	84	88.1 Å²	88.1	51%	0.509	50%	0.496	S	S	.	.	H	α-helix	trans	-63.9	-40.6	177.9	176	0	0	0	0	111.2	I106 I107 V108 V113 T114	I106-V110 HydrophobicContact CG2-CG2 4.39Å; I106-V110 WeakPolarHBondContact O-CG2 3.31Å; I106-V110 PolarHBondContact O-N 3.33Å; I107-V110 PolarHBondContact O-N 2.96Å; V108-V110 PolarHBondContact O-N 2.81Å; V110-V113 PolarHBondContact O-N 3.47Å; V110-T114 HydrophobicContact CG1-CG2 4.46Å; V110-T114 WeakPolarHBondContact O-CB 3.46Å; V110-T114 WeakPolarHBondContact O-CG2 3.13Å; V110-T114 PolarHBondContact O-N 3.34Å; V110-T114 PolarHBondContact O-OG1 2.8Å
111	G	94.8	Very high	92	Very high	33 Å²	33	90.4 Å²	90.4	34%	0.34	50%	0.497	S	S	.	.	H	α-helix	trans	-61.5	-43.3	174.5	0	0	0	0	0	112.4	I107 V108 V109 T114 A115	I107-G111 PolarHBondContact O-N 2.94Å; V108-G111 PolarHBondContact O-N 2.97Å; V109-G111 VanDerWaalsContact C-N 3.34Å; V109-G111 PolarHBondContact O-N 2.88Å; G111-T114 WeakPolarHBondContact CA-OG1 3.26Å; G111-T114 PolarHBondContact O-OG1 3.22Å; G111-A115 WeakPolarHBondContact O-CB 3.46Å; G111-A115 PolarHBondContact O-N 2.78Å
112	F	94.3	Very high	91	Very high	134 Å²	134	89.3 Å²	89.3	59%	0.588	49%	0.493	S	S	*	.	H	α-helix	trans	-66.1	-44	175.5	-91.1	-76.5	0	0	0	111.9	V108 V109 A115 I116	V108-F112 HydrophobicContact CG1-CD2 3.47Å; V108-F112 VanDerWaalsContact CG1-CD2 3.47Å; V108-F112 HydrophobicContact CG1-CE2 3.49Å; V108-F112 VanDerWaalsContact CG1-CE2 3.49Å; V108-F112 WeakPolarHBondContact O-CB 3.3Å; V108-F112 WeakPolarHBondContact O-CD2 3.36Å; V108-F112 PolarHBondContact O-N 3.41Å; V109-F112 PolarHBondContact O-N 2.92Å; F112-A115 PolarHBondContact O-N 3.47Å; F112-I116 WeakPolarHBondContact O-CB 3.22Å; F112-I116 WeakPolarHBondContact O-CD1 3.35Å; F112-I116 WeakPolarHBondContact O-CG1 3.13Å; F112-I116 PolarHBondContact O-N 3.29Å
113	V	94.2	Very high	89.5	Confident	84 Å²	84	93.2 Å²	93.2	51%	0.509	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-47.8	177.5	172.8	0	0	0	0	110.5	V109 V110 I116 V117	V109-V113 VanDerWaalsContact O-CG2 3.31Å; V109-V113 WeakPolarHBondContact O-CG2 3.12Å; V109-V113 PolarHBondContact O-N 2.79Å; V110-V113 PolarHBondContact O-N 3.47Å; V113-I116 PolarHBondContact O-N 3.26Å; V113-V117 HydrophobicContact CG1-CG2 4.45Å; V113-V117 WeakPolarHBondContact O-CB 3.38Å; V113-V117 VanDerWaalsContact O-CG2 3.26Å; V113-V117 WeakPolarHBondContact O-CG2 3.34Å; V113-V117 PolarHBondContact O-N 2.91Å
114	T	91.7	Very high	87.7	Confident	77 Å²	77	92.5 Å²	92.5	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-40.1	177.1	53.3	0	0	0	0	111.8	V110 G111 V117 C118	V110-T114 HydrophobicContact CG1-CG2 4.46Å; V110-T114 WeakPolarHBondContact O-CB 3.46Å; V110-T114 WeakPolarHBondContact O-CG2 3.13Å; V110-T114 PolarHBondContact O-N 3.34Å; V110-T114 PolarHBondContact O-OG1 2.8Å; G111-T114 WeakPolarHBondContact CA-OG1 3.26Å; G111-T114 PolarHBondContact O-OG1 3.22Å; T114-V117 PolarHBondContact O-N 3.47Å; T114-C118 WeakPolarHBondContact O-CB 2.9Å; T114-C118 PolarHBondContact O-N 3.36Å; T114-C118 PolarHBondContact O-SG 2.77Å
115	A	90.8	Very high	86	Confident	54 Å²	54	93.6 Å²	93.6	45%	0.446	50%	0.504	S	S	.	.	H	α-helix	trans	-63.6	-43.3	175.1	0	0	0	0	0	112	G111 F112 Y119	G111-A115 WeakPolarHBondContact O-CB 3.46Å; G111-A115 PolarHBondContact O-N 2.78Å; F112-A115 PolarHBondContact O-N 3.47Å; A115-Y119 WeakPolarHBondContact O-CA 3.34Å; A115-Y119 WeakPolarHBondContact O-CB 3.09Å; A115-Y119 PolarHBondContact O-N 3.44Å
116	I	91.3	Very high	84.3	Confident	90 Å²	90	92.6 Å²	92.6	46%	0.462	50%	0.496	S	S	.	.	H	α-helix	trans	-65.6	-45.5	177.5	-68.3	162.8	0	0	0	110.5	F112 V113 Y119 Q120	F112-I116 WeakPolarHBondContact O-CB 3.22Å; F112-I116 WeakPolarHBondContact O-CD1 3.35Å; F112-I116 WeakPolarHBondContact O-CG1 3.13Å; F112-I116 PolarHBondContact O-N 3.29Å; V113-I116 PolarHBondContact O-N 3.26Å; I116-Y119 PolarHBondContact O-N 3.2Å; I116-Q120 WeakPolarHBondContact O-CG 3.43Å; I116-Q120 PolarHBondContact O-N 2.91Å
117	V	89.3	Confident	82.5	Confident	85 Å²	85	94 Å²	94	52%	0.515	50%	0.498	S	S	.	.	H	α-helix	trans	-65.9	-45.2	178.5	172	0	0	0	0	110.8	V113 T114 Y119 Q120 R121	V113-V117 HydrophobicContact CG1-CG2 4.45Å; V113-V117 WeakPolarHBondContact O-CB 3.38Å; V113-V117 VanDerWaalsContact O-CG2 3.26Å; V113-V117 WeakPolarHBondContact O-CG2 3.34Å; V113-V117 PolarHBondContact O-N 2.91Å; T114-V117 PolarHBondContact O-N 3.47Å; V117-Y119 VanDerWaalsContact C-N 3.28Å; V117-Y119 PolarHBondContact O-N 2.73Å; V117-Q120 PolarHBondContact O-N 2.85Å; V117-R121 WeakPolarHBondContact O-CB 3.44Å; V117-R121 PolarHBondContact O-N 2.73Å
118	C	85.6	Confident	80.8	Confident	78 Å²	78	95.6 Å²	95.6	53%	0.527	50%	0.501	S	S	.	.	H	α-helix	trans	-62.2	-36.2	172.6	-73.3	0	0	0	0	111.1	T114 S122	T114-C118 WeakPolarHBondContact O-CB 2.9Å; T114-C118 PolarHBondContact O-N 3.36Å; T114-C118 PolarHBondContact O-SG 2.77Å; C118-S122 VanDerWaalsContact O-CA 3.31Å; C118-S122 WeakPolarHBondContact O-CA 3.44Å; C118-S122 WeakPolarHBondContact O-CB 2.97Å; C118-S122 PolarHBondContact O-N 3.44Å
119	Y	83.8	Confident	79	Confident	147 Å²	147	97.5 Å²	97.5	58%	0.576	51%	0.506	S	S	*	.	H	α-helix	trans	-68.9	-43.2	177.4	-172.1	-99.9	0	0	0	111.7	A115 I116 V117 S122 K123	A115-Y119 WeakPolarHBondContact O-CA 3.34Å; A115-Y119 WeakPolarHBondContact O-CB 3.09Å; A115-Y119 PolarHBondContact O-N 3.44Å; I116-Y119 PolarHBondContact O-N 3.2Å; V117-Y119 VanDerWaalsContact C-N 3.28Å; V117-Y119 PolarHBondContact O-N 2.73Å; Y119-S122 PolarHBondContact O-N 2.67Å; Y119-K123 HydrophobicContact CD1-CG 4.35Å; Y119-K123 HydrophobicContact CE1-CD 4.2Å; Y119-K123 VanDerWaalsContact CE1-CE 3.42Å; Y119-K123 HydrophobicContact CE1-CG 4.11Å; Y119-K123 WeakPolarHBondContact O-CB 3.47Å; Y119-K123 WeakPolarHBondContact O-CG 3.31Å; Y119-K123 PolarHBondContact O-N 2.84Å; Y119-K123 WeakPolarHBondContact OH-CE 3.21Å; Y119-K123 PolarHBondContact OH-NZ 3.26Å
120	Q	81.7	Confident	77.3	Confident	129 Å²	129	98.8 Å²	98.8	60%	0.603	51%	0.506	S	S	*	.	H	α-helix	trans	-65.2	-46.5	174.2	-70.9	-169.6	16.1	0	0	111.4	I116 V117 S122 K123 N124	I116-Q120 WeakPolarHBondContact O-CG 3.43Å; I116-Q120 PolarHBondContact O-N 2.91Å; V117-Q120 PolarHBondContact O-N 2.85Å; Q120-S122 VanDerWaalsContact C-N 3.31Å; Q120-S122 PolarHBondContact O-N 3.15Å; Q120-K123 PolarHBondContact O-N 2.64Å; Q120-N124 PolarHBondContact O-N 3.25Å
121	R	75	Confident	75.5	Confident	163 Å²	163	98.7 Å²	98.7	62%	0.615	50%	0.5	S	S	*	.	H	α-helix	trans	-63.4	-39.6	176.7	-169.5	178	-171.8	-170.9	2.7	111.2	V117 N124 K125	V117-R121 WeakPolarHBondContact O-CB 3.44Å; V117-R121 PolarHBondContact O-N 2.73Å; R121-N124 CarbonylContact O-C 3.33Å; R121-N124 PolarHBondContact O-N 2.88Å; R121-K125 WeakPolarHBondContact O-CB 3.38Å; R121-K125 WeakPolarHBondContact O-CG 3.49Å; R121-K125 PolarHBondContact O-N 3.41Å
122	S	73.1	Confident	73.8	Confident	64 Å²	64	101.5 Å²	101.5	45%	0.448	50%	0.504	S	S	.	.	H	α-helix	trans	-74.3	-30.1	179	-170.9	0	0	0	0	111.6	C118 Y119 Q120 N124 K125 A126	C118-S122 VanDerWaalsContact O-CA 3.31Å; C118-S122 WeakPolarHBondContact O-CA 3.44Å; C118-S122 WeakPolarHBondContact O-CB 2.97Å; C118-S122 PolarHBondContact O-N 3.44Å; Y119-S122 PolarHBondContact O-N 2.67Å; Q120-S122 VanDerWaalsContact C-N 3.31Å; Q120-S122 PolarHBondContact O-N 3.15Å; S122-N124 VanDerWaalsContact C-N 3.35Å; S122-K125 CarbonylContact O-C 3.55Å; S122-K125 PolarHBondContact O-N 2.66Å; S122-A126 WeakPolarHBondContact O-CA 3.41Å; S122-A126 WeakPolarHBondContact O-CB 3.38Å; S122-A126 PolarHBondContact O-N 3.33Å
123	K	63.5	Low	72.1	Confident	119 Å²	119	102 Å²	102	52%	0.517	51%	0.508	S	S	.	.	H	α-helix	trans	-67.4	-40.4	168.3	-76.9	-129.1	179.4	-179.1	0	111	Y119 Q120 K125 K127	Y119-K123 HydrophobicContact CD1-CG 4.35Å; Y119-K123 HydrophobicContact CE1-CD 4.2Å; Y119-K123 VanDerWaalsContact CE1-CE 3.42Å; Y119-K123 HydrophobicContact CE1-CG 4.11Å; Y119-K123 WeakPolarHBondContact O-CB 3.47Å; Y119-K123 WeakPolarHBondContact O-CG 3.31Å; Y119-K123 PolarHBondContact O-N 2.84Å; Y119-K123 WeakPolarHBondContact OH-CE 3.21Å; Y119-K123 PolarHBondContact OH-NZ 3.26Å; Q120-K123 PolarHBondContact O-N 2.64Å; K123-K125 VanDerWaalsContact C-N 3.25Å; K123-K125 PolarHBondContact O-N 3.38Å; K123-K127 WeakPolarHBondContact O-CB 3.3Å; K123-K127 PolarHBondContact O-N 3.33Å
124	N	59.6	Low	70.6	Confident	119 Å²	119	104.3 Å²	104.3	64%	0.636	51%	0.513	S	S	*	.	H	α-helix	trans	-66.1	-28.9	174.9	-70.3	-10.4	0	0	0	112.6	Q120 R121 S122 K128	Q120-N124 PolarHBondContact O-N 3.25Å; R121-N124 CarbonylContact O-C 3.33Å; R121-N124 PolarHBondContact O-N 2.88Å; S122-N124 VanDerWaalsContact C-N 3.35Å; N124-K128 WeakPolarHBondContact O-CG 3.26Å
125	K	59	Low	68.9	Low	96 Å²	96	105.4 Å²	105.4	42%	0.417	51%	0.513	S	S	.	.	H	α-helix	trans	-87	-41.2	174.6	-73.7	-172.7	177	-162.3	0	113.4	R121 S122 K123 K127 K128 E129	R121-K125 WeakPolarHBondContact O-CB 3.38Å; R121-K125 WeakPolarHBondContact O-CG 3.49Å; R121-K125 PolarHBondContact O-N 3.41Å; S122-K125 CarbonylContact O-C 3.55Å; S122-K125 PolarHBondContact O-N 2.66Å; K123-K125 VanDerWaalsContact C-N 3.25Å; K123-K125 PolarHBondContact O-N 3.38Å; K125-K127 VanDerWaalsContact C-N 3.29Å; K125-K127 PolarHBondContact O-N 2.86Å; K125-K128 CarbonylContact O-C 3.54Å; K125-K128 VanDerWaalsContact O-CA 3.26Å; K125-K128 WeakPolarHBondContact O-CA 3.42Å; K125-K128 VanDerWaalsContact O-CB 3.3Å; K125-K128 WeakPolarHBondContact O-CB 3.47Å; K125-K128 PolarHBondContact O-N 3.38Å; K125-E129 WeakPolarHBondContact O-CB 3.49Å; K125-E129 WeakPolarHBondContact O-CG 3.04Å; K125-E129 PolarHBondContact O-N 2.83Å
126	A	60.6	Low	67.4	Low	28 Å²	28	110.9 Å²	110.9	23%	0.231	52%	0.523	C	S	.	.	H	α-helix	trans	-63.6	-37	178.4	0	0	0	0	0	110.6	S122 K128 E129 E130	S122-A126 WeakPolarHBondContact O-CA 3.41Å; S122-A126 WeakPolarHBondContact O-CB 3.38Å; S122-A126 PolarHBondContact O-N 3.33Å; A126-K128 PolarHBondContact O-N 3.02Å; A126-E129 PolarHBondContact O-N 3.4Å; A126-E130 VanDerWaalsContact O-CB 3.26Å; A126-E130 WeakPolarHBondContact O-CB 3.47Å; A126-E130 VanDerWaalsContact O-CG 3.29Å; A126-E130 WeakPolarHBondContact O-CG 3.24Å; A126-E130 PolarHBondContact O-N 3.19Å
127	K	60.3	Low	66.2	Low	136 Å²	136	109.6 Å²	109.6	59%	0.591	53%	0.526	S	S	*	.	H	α-helix	trans	-61.5	-36.3	169.4	-166.1	179.5	176	-171	0	111.7	K123 K125 E131	K123-K127 WeakPolarHBondContact O-CB 3.3Å; K123-K127 PolarHBondContact O-N 3.33Å; K125-K127 VanDerWaalsContact C-N 3.29Å; K125-K127 PolarHBondContact O-N 2.86Å; K127-E131 VanDerWaalsContact O-CB 3.24Å; K127-E131 WeakPolarHBondContact O-CB 3.17Å; K127-E131 VanDerWaalsContact O-CD 3.31Å; K127-E131 WeakPolarHBondContact O-CG 3.24Å; K127-E131 PolarHBondContact O-N 2.77Å
128	K	59.2	Low	64.8	Low	128 Å²	128	114.6 Å²	114.6	56%	0.557	54%	0.536	S	S	*	.	H	α-helix	trans	-75.1	-36.6	173.8	-69.2	-177.3	178.2	-170.6	0	112.8	N124 K125 A126 E131 H132	N124-K128 WeakPolarHBondContact O-CG 3.26Å; K125-K128 CarbonylContact O-C 3.54Å; K125-K128 VanDerWaalsContact O-CA 3.26Å; K125-K128 WeakPolarHBondContact O-CA 3.42Å; K125-K128 VanDerWaalsContact O-CB 3.3Å; K125-K128 WeakPolarHBondContact O-CB 3.47Å; K125-K128 PolarHBondContact O-N 3.38Å; A126-K128 PolarHBondContact O-N 3.02Å; K128-E131 CarbonylContact O-C 3.6Å; K128-E131 PolarHBondContact O-N 3.44Å; K128-H132 VanDerWaalsContact O-CB 3.29Å; K128-H132 WeakPolarHBondContact O-CB 3.26Å; K128-H132 PolarHBondContact O-CD2 3.31Å; K128-H132 PolarHBondContact O-N 3.03Å
129	E	60.4	Low	63.5	Low	107 Å²	107	114.4 Å²	114.4	50%	0.5	54%	0.535	S	S	.	.	H	α-helix	trans	-76.6	-39.6	-177.6	-74.9	171.1	-167.3	0	0	110.8	K125 A126 E131 H132 E133	K125-E129 WeakPolarHBondContact O-CB 3.49Å; K125-E129 WeakPolarHBondContact O-CG 3.04Å; K125-E129 PolarHBondContact O-N 2.83Å; A126-E129 PolarHBondContact O-N 3.4Å; E129-E131 VanDerWaalsContact C-N 3.32Å; E129-H132 CarbonylContact O-C 3.53Å; E129-H132 PolarHBondContact O-N 2.92Å; E129-H132 VanDerWaalsContact O-N 3.15Å; E129-E133 WeakPolarHBondContact O-CB 3.29Å; E129-E133 WeakPolarHBondContact O-CG 3.44Å; E129-E133 PolarHBondContact O-N 3.4Å
130	E	60.6	Low	62.4	Low	119 Å²	119	114.8 Å²	114.8	56%	0.556	54%	0.542	S	S	*	.	H	α-helix	trans	-61.7	-41.7	167.3	-70.7	173.4	-167.2	0	0	110.6	A126 H132 Q134	A126-E130 VanDerWaalsContact O-CB 3.26Å; A126-E130 WeakPolarHBondContact O-CB 3.47Å; A126-E130 VanDerWaalsContact O-CG 3.29Å; A126-E130 WeakPolarHBondContact O-CG 3.24Å; A126-E130 PolarHBondContact O-N 3.19Å; E130-H132 VanDerWaalsContact C-N 3.35Å; E130-Q134 VanDerWaalsContact O-CB 3.24Å; E130-Q134 WeakPolarHBondContact O-CB 3.27Å; E130-Q134 WeakPolarHBondContact O-CG 3.38Å; E130-Q134 PolarHBondContact O-N 3.16Å
131	E	56.9	Low	61.1	Low	83 Å²	83	118.7 Å²	118.7	39%	0.388	55%	0.553	S	S	.	*	H	α-helix	trans	-64.7	-37.7	172.1	-77.5	171.8	-170.9	0	0	111.5	K127 K128 E129 Q135	K127-E131 VanDerWaalsContact O-CB 3.24Å; K127-E131 WeakPolarHBondContact O-CB 3.17Å; K127-E131 VanDerWaalsContact O-CD 3.31Å; K127-E131 WeakPolarHBondContact O-CG 3.24Å; K127-E131 PolarHBondContact O-N 2.77Å; K128-E131 CarbonylContact O-C 3.6Å; K128-E131 PolarHBondContact O-N 3.44Å; E129-E131 VanDerWaalsContact C-N 3.32Å; E131-Q135 WeakPolarHBondContact O-CB 3.22Å; E131-Q135 WeakPolarHBondContact O-CG 3.46Å; E131-Q135 PolarHBondContact O-N 2.81Å
132	H	58.2	Low	60	Low	91 Å²	91	114.8 Å²	114.8	42%	0.421	55%	0.547	S	S	.	.	H	α-helix	trans	-72.1	-41.4	178.3	-71.6	-45.6	0	0	0	111.8	K128 E129 E130 Q135 Y136	K128-H132 VanDerWaalsContact O-CB 3.29Å; K128-H132 WeakPolarHBondContact O-CB 3.26Å; K128-H132 PolarHBondContact O-CD2 3.31Å; K128-H132 PolarHBondContact O-N 3.03Å; E129-H132 CarbonylContact O-C 3.53Å; E129-H132 PolarHBondContact O-N 2.92Å; E129-H132 VanDerWaalsContact O-N 3.15Å; E130-H132 VanDerWaalsContact C-N 3.35Å; H132-Q135 PolarHBondContact ND1-OE1 3.42Å; H132-Q135 VanDerWaalsContact ND1-OE1 3.12Å; H132-Q135 CarbonylContact O-C 3.51Å; H132-Q135 PolarHBondContact O-N 3.35Å; H132-Y136 WeakPolarHBondContact O-CB 3.12Å; H132-Y136 VanDerWaalsContact O-CD2 3.27Å; H132-Y136 WeakPolarHBondContact O-CD2 2.96Å; H132-Y136 PolarHBondContact O-N 3.48Å
133	E	59.1	Low	59.2	Low	145 Å²	145	116.5 Å²	116.5	68%	0.678	57%	0.565	S	S	*	*	H	α-helix	trans	-65.8	-40.7	174.3	-72.4	-172	158.1	0	0	110.7	E129 Y136 A137	E129-E133 WeakPolarHBondContact O-CB 3.29Å; E129-E133 WeakPolarHBondContact O-CG 3.44Å; E129-E133 PolarHBondContact O-N 3.4Å; E133-Y136 PolarHBondContact O-N 2.84Å; E133-A137 VanDerWaalsContact O-CB 3.24Å; E133-A137 WeakPolarHBondContact O-CB 3.15Å; E133-A137 PolarHBondContact O-N 3.22Å
134	Q	62.3	Low	58.3	Low	133 Å²	133	119.9 Å²	119.9	62%	0.621	58%	0.576	S	S	*	*	H	α-helix	trans	-65.1	-36.9	170.9	-72.7	176.9	10	0	0	112.1	E130 R138	E130-Q134 VanDerWaalsContact O-CB 3.24Å; E130-Q134 WeakPolarHBondContact O-CB 3.27Å; E130-Q134 WeakPolarHBondContact O-CG 3.38Å; E130-Q134 PolarHBondContact O-N 3.16Å; Q134-R138 WeakPolarHBondContact O-CB 3.24Å; Q134-R138 PolarHBondContact O-N 3.12Å
135	Q	57.7	Low	57.8	Low	100 Å²	100	119.7 Å²	119.7	47%	0.467	58%	0.581	S	S	.	*	H	α-helix	trans	-70.8	-39.4	175.9	-76.4	159.7	17.9	0	0	112.3	E131 H132 R138 S139	E131-Q135 WeakPolarHBondContact O-CB 3.22Å; E131-Q135 WeakPolarHBondContact O-CG 3.46Å; E131-Q135 PolarHBondContact O-N 2.81Å; H132-Q135 PolarHBondContact ND1-OE1 3.42Å; H132-Q135 VanDerWaalsContact ND1-OE1 3.12Å; H132-Q135 CarbonylContact O-C 3.51Å; H132-Q135 PolarHBondContact O-N 3.35Å; Q135-R138 PolarHBondContact O-N 3.38Å; Q135-S139 VanDerWaalsContact O-CB 3.22Å; Q135-S139 WeakPolarHBondContact O-CB 3.29Å; Q135-S139 PolarHBondContact O-N 2.72Å; Q135-S139 PolarHBondContact O-OG 3.42Å
136	Y	58.5	Low	57.1	Low	168 Å²	168	124.7 Å²	124.7	66%	0.659	60%	0.599	S	S	*	*	H	α-helix	trans	-64.2	-47.4	172.3	-94.2	-80.9	0	0	0	109.6	H132 E133 R138 S139 H140	H132-Y136 WeakPolarHBondContact O-CB 3.12Å; H132-Y136 VanDerWaalsContact O-CD2 3.27Å; H132-Y136 WeakPolarHBondContact O-CD2 2.96Å; H132-Y136 PolarHBondContact O-N 3.48Å; E133-Y136 PolarHBondContact O-N 2.84Å; Y136-R138 VanDerWaalsContact C-N 3.33Å; Y136-R138 PolarHBondContact O-N 3.42Å; Y136-S139 PolarHBondContact O-OG 3.06Å; Y136-H140 PolarHBondContact O-CD2 2.77Å; Y136-H140 VanDerWaalsContact O-CD2 3.31Å; Y136-H140 PolarHBondContact O-N 3.4Å
137	A	65.4	Low	56.6	Low	63 Å²	63	132 Å²	132	52%	0.521	63%	0.628	S	S	.	*	H	α-helix	trans	-61.3	-38.5	175.3	0	0	0	0	0	112.8	E133 Y141	E133-A137 VanDerWaalsContact O-CB 3.24Å; E133-A137 WeakPolarHBondContact O-CB 3.15Å; E133-A137 PolarHBondContact O-N 3.22Å; A137-Y141 WeakPolarHBondContact O-CD2 3.09Å
138	R	60.4	Low	55.8	Low	191 Å²	191	135.2 Å²	135.2	72%	0.721	64%	0.638	S	S	*	*	H	α-helix	trans	-78.4	-37.4	-178	-166.1	176.9	-146.8	160.3	5.9	113.5	Q134 Q135 Y136 H140 Y141 T142	Q134-R138 WeakPolarHBondContact O-CB 3.24Å; Q134-R138 PolarHBondContact O-N 3.12Å; Q135-R138 PolarHBondContact O-N 3.38Å; Y136-R138 VanDerWaalsContact C-N 3.33Å; Y136-R138 PolarHBondContact O-N 3.42Å; R138-H140 VanDerWaalsContact C-N 3.27Å; R138-H140 PolarHBondContact O-N 2.85Å; R138-Y141 PolarHBondContact O-N 3.27Å; R138-T142 PolarHBondContact O-N 2.84Å
139	S	59	Low	55.2	Low	74 Å²	74	134.2 Å²	134.2	52%	0.517	64%	0.644	S	S	.	*	H	α-helix	trans	-68.1	-25.9	179.8	57.2	0	0	0	0	113	Q135 Y136 Y141	Q135-S139 VanDerWaalsContact O-CB 3.22Å; Q135-S139 WeakPolarHBondContact O-CB 3.29Å; Q135-S139 PolarHBondContact O-N 2.72Å; Q135-S139 PolarHBondContact O-OG 3.42Å; Y136-S139 PolarHBondContact O-OG 3.06Å; S139-Y141 PolarHBondContact O-N 2.7Å
140	H	60.3	Low	54.8	Low	155 Å²	155	133.6 Å²	133.6	72%	0.718	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-12.5	170.3	-87.6	-78.2	0	0	0	114.3	Y136 R138	Y136-H140 PolarHBondContact O-CD2 2.77Å; Y136-H140 VanDerWaalsContact O-CD2 3.31Å; Y136-H140 PolarHBondContact O-N 3.4Å; R138-H140 VanDerWaalsContact C-N 3.27Å; R138-H140 PolarHBondContact O-N 2.85Å
141	Y	53.7	Low	54.1	Low	210 Å²	210	132.6 Å²	132.6	82%	0.824	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	-9.9	-178.1	-79.8	-84.8	0	0	0	115.2	A137 R138 S139	A137-Y141 WeakPolarHBondContact O-CD2 3.09Å; R138-Y141 PolarHBondContact O-N 3.27Å; S139-Y141 PolarHBondContact O-N 2.7Å
142	T	52.4	Low	53.6	Low	81 Å²	81	134.6 Å²	134.6	50%	0.497	67%	0.673	S	S	.	*			trans	-125.9	115.3	-177.3	65.5	0	0	0	0	112.8	R138 Y144	R138-T142 PolarHBondContact O-N 2.84Å; T142-Y144 PolarHBondContact O-N 3Å
143	A	55.7	Low	53	Low	100 Å²	100	139.3 Å²	139.3	83%	0.826	69%	0.694	S	S	*	*	S	Bend	trans	-70.4	13.6	-177.4	0	0	0	0	0	116.1
144	Y	45.7	Very low	52	Low	191 Å²	191	135.3 Å²	135.3	75%	0.749	69%	0.693	S	S	*	*	S	Bend	trans	-128.9	118.8	179	-81.8	-86.8	0	0	0	110.7	T142 Y146	T142-Y144 PolarHBondContact O-N 3Å; Y144-Y146 PolarHBondContact O-N 2.9Å; Y144-Y146 VanDerWaalsContact O-N 3.08Å
145	P	49.2	Very low	51.2	Low	115 Å²	115	136.1 Å²	136.1	75%	0.747	69%	0.69	S	S	*	*			trans	-75.2	99.3	178.2	30.1	-32	0	0	0	109.4	H147	P145-H147 PolarHBondContact O-N 3.48Å; P145-H147 VanDerWaalsContact O-N 3.12Å
146	Y	44.1	Very low	50.6	Low	200 Å²	200	140.5 Å²	140.5	78%	0.784	71%	0.711	S	S	*	*			trans	-71	103.7	164.7	-100.1	-90	0	0	0	108.7	Y144 Y148	Y144-Y146 PolarHBondContact O-N 2.9Å; Y144-Y146 VanDerWaalsContact O-N 3.08Å; Y146-Y148 VanDerWaalsContact C-N 3.33Å; Y146-Y148 HydrophobicContact CD1-CE2 4.49Å; Y146-Y148 PolarHBondContact O-N 3.21Å
147	H	48.9	Very low	50.2	Low	183 Å²	183	137.2 Å²	137.2	85%	0.847	72%	0.718	S	S	*	*			trans	-64	93.3	162.7	-88.5	-72.4	0	0	0	108.5	P145	P145-H147 PolarHBondContact O-N 3.48Å; P145-H147 VanDerWaalsContact O-N 3.12Å
148	Y	43.5	Very low	49.4	Very low	203 Å²	203	141 Å²	141	80%	0.796	73%	0.725	S	S	*	*			trans	-80.5	131.2	165.8	-111.8	-95.4	0	0	0	109.2	Y146 A150	Y146-Y148 VanDerWaalsContact C-N 3.33Å; Y146-Y148 HydrophobicContact CD1-CE2 4.49Å; Y146-Y148 PolarHBondContact O-N 3.21Å; Y148-A150 PolarHBondContact O-N 3.08Å
149	P	46.4	Very low	48.7	Very low	107 Å²	107	139.9 Å²	139.9	70%	0.695	73%	0.726	S	S	*	*			trans	-64.3	129.8	-179	26.3	-33.2	0	0	0	109.1	S151	P149-S151 VanDerWaalsContact C-N 3.29Å; P149-S151 PolarHBondContact O-N 2.97Å
150	A	53.2	Low	47.8	Very low	93 Å²	93	139.6 Å²	139.6	77%	0.769	73%	0.734	S	S	*	*			trans	-56.6	100.1	164	0	0	0	0	0	106.8	Y148 E152	Y148-A150 PolarHBondContact O-N 3.08Å; A150-E152 PolarHBondContact O-N 3.12Å
151	S	46.3	Very low	47.1	Very low	98 Å²	98	137.6 Å²	137.6	69%	0.685	73%	0.733	S	S	*	*			trans	-48	121	174.8	52.8	0	0	0	0	107.8	P149 H153	P149-S151 VanDerWaalsContact C-N 3.29Å; P149-S151 PolarHBondContact O-N 2.97Å; S151-H153 PolarHBondContact O-N 3.34Å
152	E	45.6	Very low	46.6	Very low	126 Å²	126	136 Å²	136	59%	0.589	74%	0.738	S	S	*	*	S	Bend	trans	-64.5	37.7	-172.6	-65.5	170.8	123.1	0	0	114	A150 R155	A150-E152 PolarHBondContact O-N 3.12Å; E152-R155 IonicContact OE1-CZ 2.98Å; E152-R155 IonicContact OE1-NH1 3.21Å; E152-R155 PolarHBondContact OE1-NH1 3.04Å; E152-R155 IonicContact OE1-NH2 2.81Å; E152-R155 PolarHBondContact OE1-NH2 2.73Å
153	H	46.1	Very low	46.7	Very low	189 Å²	189	145.5 Å²	145.5	88%	0.875	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	13.6	178.9	-91.3	68.3	0	0	0	113.9	S151	S151-H153 PolarHBondContact O-N 3.34Å
154	G	37.9	Very low	46.2	Very low	62 Å²	62	147.8 Å²	147.8	64%	0.639	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.9	11.5	175.8	0	0	0	0	0	114.6	Q156 A157	G154-Q156 PolarHBondContact O-N 2.8Å; G154-A157 PolarHBondContact O-N 2.82Å
155	R	44.6	Very low	46.3	Very low	149 Å²	149	145.5 Å²	145.5	56%	0.562	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	17.8	-178	-102.2	-163.8	-171.4	141.9	14.3	114.9	E152 Q158	E152-R155 IonicContact OE1-CZ 2.98Å; E152-R155 IonicContact OE1-NH1 3.21Å; E152-R155 PolarHBondContact OE1-NH1 3.04Å; E152-R155 IonicContact OE1-NH2 2.81Å; E152-R155 PolarHBondContact OE1-NH2 2.73Å; R155-Q158 WeakPolarHBondContact O-CB 3.33Å
156	Q	46.1	Very low	46.1	Very low	193 Å²	193	147.2 Å²	147.2	90%	0.902	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	3.8	167.7	-78.9	-166	-26.2	0	0	114.4	G154 Q158	G154-Q156 PolarHBondContact O-N 2.8Å; Q156-Q158 PolarHBondContact O-N 3.09Å
157	A	49.9	Very low	46.2	Very low	99 Å²	99	144.1 Å²	144.1	82%	0.818	76%	0.764	S	S	*	*	S	Bend	trans	-83.1	33.2	156	0	0	0	0	0	111.2	G154 F159	G154-A157 PolarHBondContact O-N 2.82Å; A157-F159 PolarHBondContact O-N 2.61Å; A157-F159 VanDerWaalsContact O-N 3.09Å
158	Q	48	Very low	46.1	Very low	142 Å²	142	141.6 Å²	141.6	66%	0.664	76%	0.759	S	S	*	*			trans	-60.5	105.4	-171.5	-161.9	175.3	-50.8	0	0	110.8	R155 Q156	R155-Q158 WeakPolarHBondContact O-CB 3.33Å; Q156-Q158 PolarHBondContact O-N 3.09Å
159	F	46	Very low	46.2	Very low	168 Å²	168	137.5 Å²	137.5	74%	0.737	76%	0.756	S	S	*	*			trans	44.1	80.9	148.1	-52.9	-70	0	0	0	116.5	A157	A157-F159 PolarHBondContact O-N 2.61Å; A157-F159 VanDerWaalsContact O-N 3.09Å
160	G	40.9	Very low	46.2	Very low	67 Å²	67	139.7 Å²	139.7	69%	0.691	76%	0.761	S	S	*	*			trans	-82.3	134.2	150.5	0	0	0	0	0	109.7
161	T	46	Very low	45.7	Very low	114 Å²	114	143.3 Å²	143.3	70%	0.699	76%	0.76	S	S	*	*			trans	76.3	81.5	169.3	78	0	0	0	0	117.4	Y163	T161-Y163 HydrophobicContact CG2-CE2 4Å
162	L	42.1	Very low	45.6	Very low	177 Å²	177	147.1 Å²	147.1	93%	0.927	77%	0.766	S	S	*	*			trans	-69.6	119.9	142	-93.8	118.9	0	0	0	107.9
163	Y	54.6	Low	45.6	Very low	279 Å²	279	149 Å²	149	100%	1.094	78%	0.783	S	S	*	*			trans	-122.4	0	154.6	-71.4	-77.6	0	0	0	107.5	T161	T161-Y163 HydrophobicContact CG2-CE2 4Å

Retrieved 163 of 163 residues in 64.1 ms (Link to these results)

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