A0A077ZR17_TRITR Loading...

Histone H3

AlphaFold DB , UniProt , Accession A0A077ZR17, 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	41	Very low	49.2	Very low	244 Å²	244	160.5 Å²	160.5	100%	1.202	82%	0.815	S	S	*	*				0	112	0	-78.6	-166.6	159.7	0	0	109.6
2	A	42.6	Very low	48.7	Very low	104 Å²	104	153 Å²	153	86%	0.86	81%	0.808	S	S	*	*			trans	-96.6	99.7	-171.5	0	0	0	0	0	111.4
3	L	49.8	Very low	48.8	Very low	163 Å²	163	148.2 Å²	148.2	85%	0.853	79%	0.794	S	S	*	*			trans	-98.7	88.3	169.9	-80	161.4	0	0	0	110
4	T	57.7	Low	48.7	Very low	84 Å²	84	154.9 Å²	154.9	52%	0.515	80%	0.803	S	S	.	*			trans	29.5	110.9	142.2	58.7	0	0	0	0	118.6	K6 T7	T4-K6 PolarHBondContact O-N 3.47Å; T4-T7 PolarHBondContact O-OG1 2.8Å
5	K	56.7	Low	48.6	Very low	205 Å²	205	160.4 Å²	160.4	89%	0.891	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	8.4	162.6	-70.7	179.4	175.4	177.6	0	115.3
6	K	54.7	Low	48.7	Very low	185 Å²	185	154.1 Å²	154.1	80%	0.804	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-15.1	-173.1	-137.9	175	-176.3	-178.3	0	113.4	T4	T4-K6 PolarHBondContact O-N 3.47Å
7	T	51	Low	48.9	Very low	96 Å²	96	156.9 Å²	156.9	59%	0.589	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-85.2	-16.4	-178.8	45.5	0	0	0	0	114.3	T4 R9	T4-T7 PolarHBondContact O-OG1 2.8Å; T7-R9 PolarHBondContact O-N 3.42Å
8	L	47.2	Very low	49	Very low	147 Å²	147	152.4 Å²	152.4	77%	0.77	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-79.7	-8	-178.6	-92.5	153.1	0	0	0	115.4
9	R	47.4	Very low	49.4	Very low	230 Å²	230	147.3 Å²	147.3	87%	0.868	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-84.3	-9.8	179.9	-79.3	-171.7	-163.7	-175	4.7	115.4	T7	T7-R9 PolarHBondContact O-N 3.42Å
10	L	47.1	Very low	49.9	Very low	152 Å²	152	142.2 Å²	142.2	80%	0.796	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-7.8	-174	-75.9	164.4	0	0	0	114.8
11	L	46.2	Very low	50.5	Low	155 Å²	155	140.4 Å²	140.4	81%	0.812	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-1.7	-179.4	-82.5	126.5	0	0	0	115.1
12	G	42.6	Very low	51.5	Low	71 Å²	71	131.5 Å²	131.5	73%	0.732	68%	0.679	S	S	*	*	S	Bend	trans	-87.3	-6.3	-175.7	0	0	0	0	0	117.2
13	S	50.2	Low	52.5	Low	90 Å²	90	128.4 Å²	128.4	63%	0.629	65%	0.651	S	S	*	*			trans	-103	10.4	-160.2	-158.5	0	0	0	0	116.5	S16	S13-S16 PolarHBondContact O-OG 3.32Å
14	R	47.9	Very low	53.4	Low	243 Å²	243	126 Å²	126	92%	0.917	64%	0.635	S	S	*	*	S	Bend	trans	-88.7	-9.1	-177	-81.2	-174.6	171	-176	-1.8	115.6
15	R	47.1	Very low	53.8	Low	237 Å²	237	123 Å²	123	89%	0.894	62%	0.616	S	S	*	*	S	Bend	trans	-88.4	-4.1	-174.4	-142.2	174.7	-177.3	-171.6	1.4	114.6
16	S	49.4	Very low	54.3	Low	60 Å²	60	118.1 Å²	118.1	42%	0.42	60%	0.596	S	S	.	*			trans	-94.8	-16.7	-169.7	51.7	0	0	0	0	115.5	S13 S18 A19 S20	S13-S16 PolarHBondContact O-OG 3.32Å; S16-S18 PolarHBondContact O-N 2.77Å; S16-A19 PolarHBondContact O-N 2.9Å; S16-S20 WeakPolarHBondContact O-CB 3.43Å; S16-S20 PolarHBondContact O-N 2.7Å; S16-S20 PolarHBondContact O-OG 3.2Å
17	R	52.6	Low	55	Low	201 Å²	201	112.4 Å²	112.4	76%	0.758	57%	0.572	S	S	*	*	H	α-helix	trans	-64.6	-35	-168	-76.1	-173.9	173.7	-175.2	-3	115.6	S20 Q21	R17-S20 VanDerWaalsContact C-OG 3.3Å; R17-S20 WeakPolarHBondContact CA-OG 3.33Å; R17-S20 PolarHBondContact O-OG 3.5Å; R17-Q21 PolarHBondContact O-N 3.48Å
18	S	51.4	Low	55.9	Low	76 Å²	76	114 Å²	114	53%	0.531	57%	0.571	S	S	.	*	H	α-helix	trans	-79.8	-37	179.6	84.4	0	0	0	0	112.1	S16 S20 Q21 T22	S16-S18 PolarHBondContact O-N 2.77Å; S18-S20 VanDerWaalsContact C-N 3.28Å; S18-S20 PolarHBondContact O-N 3.41Å; S18-Q21 PolarHBondContact O-N 3.25Å; S18-T22 PolarHBondContact O-N 3.06Å
19	A	55.3	Low	56.9	Low	56 Å²	56	107.5 Å²	107.5	46%	0.463	54%	0.537	S	S	.	.	H	α-helix	trans	-66.7	-33	174.2	0	0	0	0	0	111.2	S16 T22 S23	S16-A19 PolarHBondContact O-N 2.9Å; A19-T22 PolarHBondContact O-OG1 3.2Å; A19-T22 VanDerWaalsContact O-OG1 3.08Å; A19-S23 WeakPolarHBondContact O-CB 3.34Å; A19-S23 PolarHBondContact O-N 2.85Å
20	S	60.9	Low	57.8	Low	45 Å²	45	100.2 Å²	100.2	32%	0.315	51%	0.51	S	S	.	.	H	α-helix	trans	-67.9	-36.7	175	61.1	0	0	0	0	112.6	S16 R17 S18 S23 Q24	S16-S20 WeakPolarHBondContact O-CB 3.43Å; S16-S20 PolarHBondContact O-N 2.7Å; S16-S20 PolarHBondContact O-OG 3.2Å; R17-S20 VanDerWaalsContact C-OG 3.3Å; R17-S20 WeakPolarHBondContact CA-OG 3.33Å; R17-S20 PolarHBondContact O-OG 3.5Å; S18-S20 VanDerWaalsContact C-N 3.28Å; S18-S20 PolarHBondContact O-N 3.41Å; S20-S23 PolarHBondContact O-N 3.29Å; S20-Q24 WeakPolarHBondContact O-CB 3.38Å; S20-Q24 WeakPolarHBondContact O-CG 3.46Å; S20-Q24 PolarHBondContact O-N 3.42Å
21	Q	61.1	Low	58.7	Low	104 Å²	104	94.2 Å²	94.2	49%	0.486	49%	0.486	S	S	.	.	H	α-helix	trans	-65.3	-50.2	177.9	-76.6	177.1	-18.7	0	0	111.2	R17 S18 S23 Q24 L25	R17-Q21 PolarHBondContact O-N 3.48Å; S18-Q21 PolarHBondContact O-N 3.25Å; Q21-S23 VanDerWaalsContact C-N 3.29Å; Q21-S23 PolarHBondContact O-N 3.22Å; Q21-Q24 PolarHBondContact O-N 2.97Å; Q21-L25 WeakPolarHBondContact O-CG 3.5Å; Q21-L25 PolarHBondContact O-N 3.36Å; Q21-L25 VanDerWaalsContact O-N 3.09Å
22	T	61.6	Low	59.3	Low	58 Å²	58	94 Å²	94	36%	0.356	48%	0.478	S	S	.	.	H	α-helix	trans	-61	-40.6	176.2	58.2	0	0	0	0	111.4	S18 A19 Q24 L25 E26	S18-T22 PolarHBondContact O-N 3.06Å; A19-T22 PolarHBondContact O-OG1 3.2Å; A19-T22 VanDerWaalsContact O-OG1 3.08Å; T22-Q24 PolarHBondContact O-N 3.23Å; T22-L25 PolarHBondContact O-N 2.78Å; T22-E26 WeakPolarHBondContact O-CB 3.18Å; T22-E26 WeakPolarHBondContact O-CG 3.45Å; T22-E26 PolarHBondContact O-N 2.91Å
23	S	64.4	Low	59.8	Low	38 Å²	38	95.9 Å²	95.9	27%	0.266	47%	0.471	S	S	.	.	H	α-helix	trans	-65.9	-35.6	178.2	-166.6	0	0	0	0	113	A19 S20 Q21 E27 R35	A19-S23 WeakPolarHBondContact O-CB 3.34Å; A19-S23 PolarHBondContact O-N 2.85Å; S20-S23 PolarHBondContact O-N 3.29Å; Q21-S23 VanDerWaalsContact C-N 3.29Å; Q21-S23 PolarHBondContact O-N 3.22Å; S23-E27 VanDerWaalsContact O-CB 3.26Å; S23-E27 WeakPolarHBondContact O-CB 3.36Å; S23-E27 PolarHBondContact O-N 3.32Å; S23-R35 PolarHBondContact OG-NH2 3.45Å
24	Q	68.7	Low	59.9	Low	112 Å²	112	95.9 Å²	95.9	52%	0.523	46%	0.461	S	S	.	.	H	α-helix	trans	-67.3	-38.4	175.2	-77.8	174	9.8	0	0	111.8	S20 Q21 T22 E27 K28	S20-Q24 WeakPolarHBondContact O-CB 3.38Å; S20-Q24 WeakPolarHBondContact O-CG 3.46Å; S20-Q24 PolarHBondContact O-N 3.42Å; Q21-Q24 PolarHBondContact O-N 2.97Å; T22-Q24 PolarHBondContact O-N 3.23Å; Q24-E27 PolarHBondContact O-N 2.94Å; Q24-K28 WeakPolarHBondContact O-CG 2.86Å; Q24-K28 PolarHBondContact O-N 3.43Å
25	L	67.3	Low	60	Low	22 Å²	22	90.8 Å²	90.8	12%	0.115	44%	0.442	C	S	.	.	H	α-helix	trans	-68.7	-45.2	175.3	-63.9	173.4	0	0	0	112.6	Q21 T22 E27 K28 L29 L81 E87	Q21-L25 WeakPolarHBondContact O-CG 3.5Å; Q21-L25 PolarHBondContact O-N 3.36Å; Q21-L25 VanDerWaalsContact O-N 3.09Å; T22-L25 PolarHBondContact O-N 2.78Å; L25-E27 PolarHBondContact O-N 3.41Å; L25-K28 WeakPolarHBondContact O-CB 3.3Å; L25-K28 PolarHBondContact O-N 2.96Å; L25-K28 VanDerWaalsContact O-N 3.11Å; L25-L29 WeakPolarHBondContact O-CB 3.37Å; L25-L29 WeakPolarHBondContact O-CG 3.25Å; L25-L29 PolarHBondContact O-N 3.49Å; L25-L81 HydrophobicContact CD2-CD2 4.38Å; L25-E87 HydrophobicContact CD1-CG 4.1Å; L25-E87 WeakPolarHBondContact CD1-OE1 3.43Å; L25-E87 VanDerWaalsContact CD1-OE2 3.28Å; L25-E87 WeakPolarHBondContact CD1-OE2 3.18Å; L25-E87 VanDerWaalsContact CD2-CD 3.41Å; L25-E87 WeakPolarHBondContact CD2-OE1 3.42Å; L25-E87 VanDerWaalsContact CD2-OE2 3.3Å; L25-E87 WeakPolarHBondContact CD2-OE2 3.24Å; L25-E87 WeakPolarHBondContact CG-OE1 3.44Å
26	E	67.2	Low	60	Low	103 Å²	103	89.9 Å²	89.9	48%	0.481	44%	0.438	S	S	.	.	H	α-helix	trans	-57.8	-40.4	173	-73.9	175	178.3	0	0	111	T22 L29 Y30	T22-E26 WeakPolarHBondContact O-CB 3.18Å; T22-E26 WeakPolarHBondContact O-CG 3.45Å; T22-E26 PolarHBondContact O-N 2.91Å; E26-L29 PolarHBondContact O-N 3.39Å; E26-Y30 WeakPolarHBondContact O-CB 3.44Å; E26-Y30 PolarHBondContact O-N 3.34Å
27	E	68.7	Low	60.1	Low	64 Å²	64	97.4 Å²	97.4	30%	0.299	46%	0.458	S	S	.	.	H	α-helix	trans	-65.7	-38.9	176	-170.8	165.4	179.5	0	0	112.2	S23 Q24 L25 G31 K32 R35	S23-E27 VanDerWaalsContact O-CB 3.26Å; S23-E27 WeakPolarHBondContact O-CB 3.36Å; S23-E27 PolarHBondContact O-N 3.32Å; Q24-E27 PolarHBondContact O-N 2.94Å; L25-E27 PolarHBondContact O-N 3.41Å; E27-G31 WeakPolarHBondContact O-CA 3.17Å; E27-G31 PolarHBondContact O-N 2.74Å; E27-K32 HydrophobicContact CG-CG 4.35Å; E27-K32 WeakPolarHBondContact OE1-CE 3.09Å; E27-K32 WeakPolarHBondContact OE1-CG 3.28Å; E27-R35 IonicContact OE2-CZ 3.26Å; E27-R35 IonicContact OE2-NH1 2.73Å; E27-R35 IonicContact OE2-NH2 3.27Å; E27-R35 PolarHBondContact OE2-NH2 3.01Å
28	K	70.3	Confident	59.9	Low	129 Å²	129	95.3 Å²	95.3	56%	0.561	46%	0.461	S	S	*	.	H	α-helix	trans	-65.4	-40.5	172.7	-74.2	177.6	-176.4	176.1	0	112.5	Q24 L25 L81	Q24-K28 WeakPolarHBondContact O-CG 2.86Å; Q24-K28 PolarHBondContact O-N 3.43Å; L25-K28 WeakPolarHBondContact O-CB 3.3Å; L25-K28 PolarHBondContact O-N 2.96Å; L25-K28 VanDerWaalsContact O-N 3.11Å; K28-L81 HydrophobicContact CB-CD1 4.5Å; K28-L81 HydrophobicContact CB-CD2 4.17Å; K28-L81 HydrophobicContact CD-CD1 4.09Å
29	L	66.6	Low	59.7	Low	11 Å²	11	96 Å²	96	6%	0.058	47%	0.466	C	S	.	.	H	α-helix	trans	-76	-51.9	-175.1	-73.7	175.6	0	0	0	112.8	L25 E26 R77 E78 L81 F82	L25-L29 WeakPolarHBondContact O-CB 3.37Å; L25-L29 WeakPolarHBondContact O-CG 3.25Å; L25-L29 PolarHBondContact O-N 3.49Å; E26-L29 PolarHBondContact O-N 3.39Å; L29-R77 PolarHBondContact O-NH1 3.33Å; L29-E78 HydrophobicContact CD1-CG 4.2Å; L29-E78 HydrophobicContact CD2-CB 4.25Å; L29-E78 HydrophobicContact CD2-CG 3.55Å; L29-E78 HydrophobicContact CG-CG 4.44Å; L29-L81 HydrophobicContact CD1-CD2 4.21Å; L29-L81 HydrophobicContact CD2-CB 4.15Å; L29-L81 HydrophobicContact CD2-CD2 3.32Å; L29-L81 HydrophobicContact CD2-CG 4.36Å; L29-L81 HydrophobicContact CG-CD2 3.49Å; L29-L81 VanDerWaalsContact CG-CD2 3.49Å; L29-F82 HydrophobicContact CD1-CZ 3.94Å
30	Y	67.9	Low	59.3	Low	77 Å²	77	104.4 Å²	104.4	30%	0.302	49%	0.486	S	S	.	.	H	α-helix	trans	-105.5	-9.2	-168.5	-58.7	-66.4	0	0	0	113.3	E26 H34 E78	E26-Y30 WeakPolarHBondContact O-CB 3.44Å; E26-Y30 PolarHBondContact O-N 3.34Å; Y30-H34 VanDerWaalsContact CB-CD2 3.5Å; Y30-H34 WeakPolarHBondContact CB-CD2 3.46Å; Y30-E78 PolarHBondContact OH-OE1 3.25Å
31	G	66	Low	58.6	Low	27 Å²	27	107.6 Å²	107.6	28%	0.278	51%	0.506	S	S	.	.			trans	69.9	173.6	-174.7	0	0	0	0	0	112.2	E27 D33	E27-G31 WeakPolarHBondContact O-CA 3.17Å; E27-G31 PolarHBondContact O-N 2.74Å; G31-D33 PolarHBondContact O-N 3.34Å
32	K	58.6	Low	57.9	Low	149 Å²	149	108 Å²	108	65%	0.648	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-62.3	-13.1	177.8	-70.8	179.2	179.9	175.5	0	113.6	E27 H34 R35	E27-K32 HydrophobicContact CG-CG 4.35Å; E27-K32 WeakPolarHBondContact OE1-CE 3.09Å; E27-K32 WeakPolarHBondContact OE1-CG 3.28Å; K32-H34 PolarHBondContact O-N 3.38Å; K32-R35 PolarHBondContact O-N 2.96Å
33	D	53.4	Low	56.9	Low	112 Å²	112	114.6 Å²	114.6	60%	0.599	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-67	-19.3	-172.2	-65	-33.8	0	0	0	114.5	G31	G31-D33 PolarHBondContact O-N 3.34Å
34	H	52.7	Low	56	Low	90 Å²	90	121.3 Å²	121.3	42%	0.417	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-80.7	-22.3	178.1	-80.6	-104.4	0	0	0	113.6	Y30 K32 R36 R66	Y30-H34 VanDerWaalsContact CB-CD2 3.5Å; Y30-H34 WeakPolarHBondContact CB-CD2 3.46Å; K32-H34 PolarHBondContact O-N 3.38Å; H34-R36 VanDerWaalsContact C-N 3.27Å; H34-R36 PolarHBondContact O-N 3.19Å; H34-R66 PolarHBondContact CE1-NH2 3.28Å; H34-R66 PolarHBondContact NE2-NH2 3.47Å
35	R	49.4	Very low	54.8	Low	136 Å²	136	121.1 Å²	121.1	51%	0.513	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-72.4	-14.5	-178.9	-66.3	-168.7	-174.6	150.1	9.8	114.3	S23 E27 K32 R37	S23-R35 PolarHBondContact OG-NH2 3.45Å; E27-R35 IonicContact OE2-CZ 3.26Å; E27-R35 IonicContact OE2-NH1 2.73Å; E27-R35 IonicContact OE2-NH2 3.27Å; E27-R35 PolarHBondContact OE2-NH2 3.01Å; K32-R35 PolarHBondContact O-N 2.96Å; R35-R37 VanDerWaalsContact C-N 3.33Å; R35-R37 PolarHBondContact O-N 2.87Å
36	R	47.8	Very low	53.9	Low	217 Å²	217	125 Å²	125	82%	0.819	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-79	-8.5	-178.3	-72.3	-171.1	177.5	-173.6	0.3	114.5	H34	H34-R36 VanDerWaalsContact C-N 3.27Å; H34-R36 PolarHBondContact O-N 3.19Å
37	R	49.6	Very low	52.9	Low	219 Å²	219	125.1 Å²	125.1	83%	0.826	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-85.7	-19.9	-175.1	-117	-179.6	-166.4	-162.7	0	115.2	R35	R35-R37 VanDerWaalsContact C-N 3.33Å; R35-R37 PolarHBondContact O-N 2.87Å
38	D	48.7	Very low	51.7	Low	156 Å²	156	131.6 Å²	131.6	83%	0.834	65%	0.65	S	S	*	*	S	Bend	trans	-99.9	5.6	-173.9	-63.1	-30	0	0	0	114.4
39	S	47	Very low	50.6	Low	90 Å²	90	130.9 Å²	130.9	63%	0.629	66%	0.661	S	S	*	*			trans	-107.5	60.6	173.1	22.4	0	0	0	0	110.9	P41	S39-P41 WeakPolarHBondContact O-CD 3.32Å
40	R	47.4	Very low	49.7	Very low	233 Å²	233	136.9 Å²	136.9	88%	0.879	70%	0.698	S	S	*	*			trans	-71.3	119.9	158.1	-99	-177.3	172.5	-179.1	-2.3	107.5	S42	R40-S42 PolarHBondContact O-N 3.43Å
41	P	46.6	Very low	48.3	Very low	112 Å²	112	142.6 Å²	142.6	73%	0.727	72%	0.724	S	S	*	*			trans	-69.4	122.4	174.9	27.6	-29.1	0	0	0	108.3	S39 K43	S39-P41 WeakPolarHBondContact O-CD 3.32Å; P41-K43 PolarHBondContact O-N 2.98Å
42	S	47.2	Very low	47.2	Very low	113 Å²	113	146 Å²	146	79%	0.79	75%	0.75	S	S	*	*			trans	-66.1	103.2	167.2	58.4	0	0	0	0	108.1	R40 H44	R40-S42 PolarHBondContact O-N 3.43Å; S42-H44 VanDerWaalsContact C-N 3.34Å; S42-H44 PolarHBondContact O-N 3.49Å
43	K	40.6	Very low	46.2	Very low	197 Å²	197	150.6 Å²	150.6	86%	0.857	76%	0.763	S	S	*	*			trans	-74.6	91.7	166.4	-87.2	-175.4	174.2	179.8	0	108.2	P41	P41-K43 PolarHBondContact O-N 2.98Å
44	H	43.7	Very low	45.8	Very low	179 Å²	179	149.6 Å²	149.6	83%	0.829	77%	0.765	S	S	*	*			trans	-130.1	105	160.6	-88.1	25.2	0	0	0	108.7	S42	S42-H44 VanDerWaalsContact C-N 3.34Å; S42-H44 PolarHBondContact O-N 3.49Å
45	S	43.7	Very low	45.4	Very low	108 Å²	108	153.4 Å²	153.4	76%	0.755	79%	0.789	S	S	*	*			trans	-177.9	100.1	155.6	34.7	0	0	0	0	105.6
46	S	48.6	Very low	45.3	Very low	103 Å²	103	155.5 Å²	155.5	72%	0.72	80%	0.801	S	S	*	*				61.5	96.8	94.2	69.9	0	0	0	0	113.3
47	S	47	Very low	45.1	Very low	106 Å²	106	148.1 Å²	148.1	74%	0.741	79%	0.793	S	S	*	*			trans	49.7	135.3	135.3	55.3	0	0	0	0	122
48	K	44	Very low	44.8	Very low	199 Å²	199	145.5 Å²	145.5	87%	0.865	80%	0.795	S	S	*	*			trans	78.1	102.9	159.5	-67.9	176.3	176.8	177	0	117.3
49	S	45.9	Very low	44.6	Very low	114 Å²	114	147.4 Å²	147.4	80%	0.797	80%	0.796	S	S	*	*				165.5	114.2	107.9	59	0	0	0	0	112.5
50	V	47.7	Very low	44.6	Very low	137 Å²	137	146.9 Å²	146.9	83%	0.83	80%	0.797	S	S	*	*			trans	17.7	114.8	137.4	-171.9	0	0	0	0	118.7
51	K	38.5	Very low	44.8	Very low	197 Å²	197	141.9 Å²	141.9	86%	0.857	79%	0.793	S	S	*	*			trans	56.9	94.7	133.1	-150.7	170.1	-171.9	173.8	0	118.3
52	A	43.1	Very low	45.1	Very low	99 Å²	99	142.2 Å²	142.2	82%	0.818	79%	0.792	S	S	*	*			trans	-147.1	119.9	146	0	0	0	0	0	110.4	S54	A52-S54 PolarHBondContact O-N 3.08Å
53	R	37.9	Very low	45.6	Very low	245 Å²	245	145.1 Å²	145.1	93%	0.925	79%	0.794	S	S	*	*			trans	-64.1	120.7	168	-65.5	169.8	169.5	173.5	-5.9	108.2
54	S	45.4	Very low	46.3	Very low	92 Å²	92	144.8 Å²	144.8	64%	0.643	79%	0.792	S	S	*	*			trans	-154.8	115.1	146.9	67.5	0	0	0	0	108.8	A52 K56	A52-S54 PolarHBondContact O-N 3.08Å; S54-K56 VanDerWaalsContact C-N 3.28Å; S54-K56 PolarHBondContact O-N 3.09Å
55	D	43.7	Very low	47	Very low	169 Å²	169	143.5 Å²	143.5	90%	0.904	79%	0.792	S	S	*	*			trans	-58.3	87.7	168.2	-153.3	-4.2	0	0	0	108.4
56	K	47.8	Very low	48.2	Very low	180 Å²	180	145.8 Å²	145.8	78%	0.783	78%	0.783	S	S	*	*			trans	-113.7	95.7	168.6	-92.9	179.8	179.2	171.9	0	106.4	S54 N58	S54-K56 VanDerWaalsContact C-N 3.28Å; S54-K56 PolarHBondContact O-N 3.09Å; K56-N58 PolarHBondContact O-N 3.35Å; K56-N58 VanDerWaalsContact O-N 3.16Å
57	G	42.2	Very low	49.5	Very low	62 Å²	62	152.3 Å²	152.3	64%	0.639	79%	0.792	S	S	*	*			trans	-34.4	118.3	-179.9	0	0	0	0	0	111.5	K59	G57-K59 PolarHBondContact O-N 3.31Å
58	N	44.4	Very low	51	Low	164 Å²	164	158.8 Å²	158.8	88%	0.877	80%	0.8	S	S	*	*			trans	-52.9	92.7	152.6	-89.1	-20.8	0	0	0	105.7	K56 A60	K56-N58 PolarHBondContact O-N 3.35Å; K56-N58 VanDerWaalsContact O-N 3.16Å; N58-A60 PolarHBondContact O-N 2.83Å
59	K	44.4	Very low	52.8	Low	196 Å²	196	154.9 Å²	154.9	85%	0.852	78%	0.78	S	S	*	*			trans	-59.6	83.5	150.5	-77.5	-176.8	178.2	178.7	0	103.7	G57 V61	G57-K59 PolarHBondContact O-N 3.31Å; K59-V61 VanDerWaalsContact C-N 3.26Å; K59-V61 PolarHBondContact O-N 3.12Å
60	A	46.5	Very low	54.8	Low	79 Å²	79	159.3 Å²	159.3	65%	0.653	78%	0.78	S	S	*	*			trans	-46.6	107.2	161.5	0	0	0	0	0	103.4	N58 T62	N58-A60 PolarHBondContact O-N 2.83Å; A60-T62 PolarHBondContact O-N 3.02Å
61	V	52.3	Low	56.7	Low	129 Å²	129	159.1 Å²	159.1	78%	0.782	78%	0.781	S	S	*	*			trans	-60	93.9	170	175.6	0	0	0	0	102.2	K59 E63	K59-V61 VanDerWaalsContact C-N 3.26Å; K59-V61 PolarHBondContact O-N 3.12Å; V61-E63 PolarHBondContact O-N 3.11Å
62	T	52.4	Low	59.2	Low	118 Å²	118	151.8 Å²	151.8	72%	0.724	76%	0.761	S	S	*	*			trans	-54.7	101.8	164.3	45.5	0	0	0	0	102.6	A60 K64	A60-T62 PolarHBondContact O-N 3.02Å; T62-K64 PolarHBondContact O-N 2.77Å
63	E	57.6	Low	61.4	Low	175 Å²	175	150.7 Å²	150.7	82%	0.818	74%	0.744	S	S	*	*			trans	-58.2	89.9	168.2	-75.9	-170.3	153.5	0	0	103.8	V61 N65	V61-E63 PolarHBondContact O-N 3.11Å; E63-N65 VanDerWaalsContact C-N 3.3Å; E63-N65 PolarHBondContact O-N 3.04Å
64	K	55.5	Low	63.8	Low	190 Å²	190	141.9 Å²	141.9	83%	0.826	72%	0.715	S	S	*	*			trans	-51.6	107.6	172	-98.9	-175.3	175	178.3	0	103.4	T62 R66	T62-K64 PolarHBondContact O-N 2.77Å; K64-R66 VanDerWaalsContact C-N 3.32Å; K64-R66 WeakPolarHBondContact O-CA 3.42Å; K64-R66 PolarHBondContact O-N 2.94Å
65	N	58.8	Low	66	Low	152 Å²	152	139.7 Å²	139.7	81%	0.813	70%	0.703	S	S	*	*			trans	-44	102.3	-179.6	-84.2	-32	0	0	0	107.2	E63 R67	E63-N65 VanDerWaalsContact C-N 3.3Å; E63-N65 PolarHBondContact O-N 3.04Å; N65-R67 VanDerWaalsContact C-N 3.33Å; N65-R67 PolarHBondContact O-N 3.33Å
66	R	68.7	Low	68.4	Low	155 Å²	155	136 Å²	136	59%	0.585	68%	0.683	S	S	*	*			trans	-68.4	101.5	-169.6	-163.8	176.1	95.6	163.7	11.8	104.9	H34 K64 R68	H34-R66 PolarHBondContact CE1-NH2 3.28Å; H34-R66 PolarHBondContact NE2-NH2 3.47Å; K64-R66 VanDerWaalsContact C-N 3.32Å; K64-R66 WeakPolarHBondContact O-CA 3.42Å; K64-R66 PolarHBondContact O-N 2.94Å; R66-R68 PolarHBondContact O-N 3.39Å
67	R	74.9	Confident	70.5	Confident	241 Å²	241	133 Å²	133	91%	0.909	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-52.3	117.3	-173.2	-70.6	-176.4	178.7	-179.1	-1	107.9	N65 R69	N65-R67 VanDerWaalsContact C-N 3.33Å; N65-R67 PolarHBondContact O-N 3.33Å; R67-R69 PolarHBondContact O-N 3.31Å
68	R	79.9	Confident	72.8	Confident	241 Å²	241	132.5 Å²	132.5	91%	0.909	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-64.3	132.3	175.5	-67.7	-175.8	178.9	-168.2	0	107.3	R66	R66-R68 PolarHBondContact O-N 3.39Å
69	R	81.9	Confident	75.2	Confident	118 Å²	118	128.6 Å²	128.6	45%	0.445	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-64.5	143.9	171.2	-67	178.9	-179.3	178.8	4	107.8	R67 L74	R67-R69 PolarHBondContact O-N 3.31Å; R69-L74 HydrophobicContact CB-CG 4.33Å; R69-L74 VanDerWaalsContact CD-CD2 3.45Å
70	R	86.7	Confident	77.5	Confident	207 Å²	207	127 Å²	127	78%	0.781	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-59	144.7	174.1	-67.3	-178.7	176.7	-179.2	-1.9	109.4	V73	R70-V73 HydrophobicContact CB-CG2 3.87Å; R70-V73 WeakPolarHBondContact O-CB 3.29Å; R70-V73 PolarHBondContact O-N 3.4Å
71	P	88.3	Confident	79.7	Confident	133 Å²	133	125.2 Å²	125.2	86%	0.864	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	145	174.3	24.9	-33.8	0	0	0	110.1	V73	P71-V73 VanDerWaalsContact C-N 3.28Å; P71-V73 PolarHBondContact O-N 2.79Å
72	G	90.2	Very high	81.7	Confident	42 Å²	42	122.7 Å²	122.7	43%	0.433	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	83.7	-28.3	-176.1	0	0	0	0	0	115.6	L74 A75 L76	G72-L74 VanDerWaalsContact C-N 3.34Å; G72-L74 PolarHBondContact O-N 3.42Å; G72-A75 PolarHBondContact O-N 2.78Å; G72-L76 WeakPolarHBondContact O-CG 3.27Å; G72-L76 PolarHBondContact O-N 3.44Å
73	V	90.6	Very high	83.7	Confident	77 Å²	77	124.3 Å²	124.3	47%	0.467	57%	0.571	S	S	.	*	H	α-helix	trans	-63.2	-40.7	-179.6	176.3	0	0	0	0	112	R70 P71 R77	R70-V73 HydrophobicContact CB-CG2 3.87Å; R70-V73 WeakPolarHBondContact O-CB 3.29Å; R70-V73 PolarHBondContact O-N 3.4Å; P71-V73 VanDerWaalsContact C-N 3.28Å; P71-V73 PolarHBondContact O-N 2.79Å; V73-R77 PolarHBondContact O-N 3.09Å
74	L	88.5	Confident	85.4	Confident	59 Å²	59	124.8 Å²	124.8	31%	0.309	57%	0.571	S	S	.	*	H	α-helix	trans	-67.2	-45.8	175	-76.7	176.1	0	0	0	111.8	R69 G72 L76 R77 E78	R69-L74 HydrophobicContact CB-CG 4.33Å; R69-L74 VanDerWaalsContact CD-CD2 3.45Å; G72-L74 VanDerWaalsContact C-N 3.34Å; G72-L74 PolarHBondContact O-N 3.42Å; L74-L76 PolarHBondContact O-N 2.99Å; L74-R77 WeakPolarHBondContact O-CB 3.28Å; L74-R77 PolarHBondContact O-N 2.99Å; L74-E78 WeakPolarHBondContact O-CG 3.47Å; L74-E78 PolarHBondContact O-N 3.25Å
75	A	91.8	Very high	87.1	Confident	46 Å²	46	117.3 Å²	117.3	38%	0.38	55%	0.548	S	S	.	.	H	α-helix	trans	-58.9	-45.4	179.3	0	0	0	0	0	111.9	G72 R77 E78 I79	G72-A75 PolarHBondContact O-N 2.78Å; A75-R77 VanDerWaalsContact C-N 3.28Å; A75-R77 PolarHBondContact O-N 3.23Å; A75-E78 PolarHBondContact O-N 3.28Å; A75-I79 VanDerWaalsContact O-CG1 3.25Å; A75-I79 WeakPolarHBondContact O-CG1 3.22Å; A75-I79 PolarHBondContact O-N 2.97Å
76	L	92.8	Very high	88.7	Confident	93 Å²	93	117.1 Å²	117.1	49%	0.487	55%	0.552	S	S	.	*	H	α-helix	trans	-63.8	-33.5	176.2	-70.1	174.8	0	0	0	112.7	G72 L74 R80	G72-L76 WeakPolarHBondContact O-CG 3.27Å; G72-L76 PolarHBondContact O-N 3.44Å; L74-L76 PolarHBondContact O-N 2.99Å; L76-R80 WeakPolarHBondContact O-CB 3.32Å; L76-R80 WeakPolarHBondContact O-CD 3.36Å; L76-R80 VanDerWaalsContact O-CG 3.22Å; L76-R80 WeakPolarHBondContact O-CG 3.31Å; L76-R80 PolarHBondContact O-N 3.14Å; L76-R80 VanDerWaalsContact O-N 3.16Å
77	R	91.4	Very high	89.8	Confident	117 Å²	117	112.9 Å²	112.9	44%	0.442	54%	0.539	S	S	.	.	H	α-helix	trans	-68.3	-43	175.2	-166.9	-177.5	-152.1	-155	5.3	111.2	L29 V73 L74 A75 L81	L29-R77 PolarHBondContact O-NH1 3.33Å; V73-R77 PolarHBondContact O-N 3.09Å; L74-R77 WeakPolarHBondContact O-CB 3.28Å; L74-R77 PolarHBondContact O-N 2.99Å; A75-R77 VanDerWaalsContact C-N 3.28Å; A75-R77 PolarHBondContact O-N 3.23Å; R77-L81 WeakPolarHBondContact O-CB 3.39Å; R77-L81 PolarHBondContact O-N 3Å
78	E	91.8	Very high	90.7	Very high	50 Å²	50	103.9 Å²	103.9	23%	0.234	51%	0.509	C	S	.	.	H	α-helix	trans	-62.3	-49.9	176.8	-74.2	165.8	-169.9	0	0	110.9	L29 Y30 L74 A75 R80 L81 F82	L29-E78 HydrophobicContact CD1-CG 4.2Å; L29-E78 HydrophobicContact CD2-CB 4.25Å; L29-E78 HydrophobicContact CD2-CG 3.55Å; L29-E78 HydrophobicContact CG-CG 4.44Å; Y30-E78 PolarHBondContact OH-OE1 3.25Å; L74-E78 WeakPolarHBondContact O-CG 3.47Å; L74-E78 PolarHBondContact O-N 3.25Å; A75-E78 PolarHBondContact O-N 3.28Å; E78-R80 PolarHBondContact O-N 3.19Å; E78-L81 WeakPolarHBondContact O-CB 3.46Å; E78-L81 PolarHBondContact O-N 3.42Å; E78-F82 HydrophobicContact CB-CD2 4.28Å; E78-F82 HydrophobicContact CB-CE2 3.99Å; E78-F82 HydrophobicContact CG-CE2 4.47Å; E78-F82 WeakPolarHBondContact O-CD2 3.44Å; E78-F82 PolarHBondContact O-N 3.02Å
79	I	93.8	Very high	91.3	Very high	83 Å²	83	96.9 Å²	96.9	43%	0.426	49%	0.489	S	S	.	.	H	α-helix	trans	-54.9	-50.5	177	-67.8	163.6	0	0	0	111	A75 L81 F82 Q83	A75-I79 VanDerWaalsContact O-CG1 3.25Å; A75-I79 WeakPolarHBondContact O-CG1 3.22Å; A75-I79 PolarHBondContact O-N 2.97Å; I79-L81 VanDerWaalsContact C-N 3.27Å; I79-L81 PolarHBondContact O-N 2.89Å; I79-F82 PolarHBondContact O-N 3.44Å; I79-Q83 HydrophobicContact CG2-CG 4.31Å; I79-Q83 WeakPolarHBondContact O-CB 3.46Å; I79-Q83 VanDerWaalsContact O-CG 3.29Å; I79-Q83 WeakPolarHBondContact O-CG 3.47Å; I79-Q83 PolarHBondContact O-N 3.36Å
80	R	94.1	Very high	91.9	Very high	163 Å²	163	94.1 Å²	94.1	62%	0.615	48%	0.482	S	S	*	.	H	α-helix	trans	-64.1	-30.2	179.1	-70.6	171	-172	171.5	2.6	113.3	L76 E78 K84	L76-R80 WeakPolarHBondContact O-CB 3.32Å; L76-R80 WeakPolarHBondContact O-CD 3.36Å; L76-R80 VanDerWaalsContact O-CG 3.22Å; L76-R80 WeakPolarHBondContact O-CG 3.31Å; L76-R80 PolarHBondContact O-N 3.14Å; L76-R80 VanDerWaalsContact O-N 3.16Å; E78-R80 PolarHBondContact O-N 3.19Å; R80-K84 VanDerWaalsContact O-CG 3.29Å; R80-K84 WeakPolarHBondContact O-CG 2.96Å
81	L	92.2	Very high	92.2	Very high	40 Å²	40	92.7 Å²	92.7	21%	0.209	48%	0.477	C	S	.	.	H	α-helix	trans	-71.9	-51.9	176.6	-180	67.9	0	0	0	110.1	L25 K28 L29 R77 E78 I79 Q83 K84 G85	L25-L81 HydrophobicContact CD2-CD2 4.38Å; K28-L81 HydrophobicContact CB-CD1 4.5Å; K28-L81 HydrophobicContact CB-CD2 4.17Å; K28-L81 HydrophobicContact CD-CD1 4.09Å; L29-L81 HydrophobicContact CD1-CD2 4.21Å; L29-L81 HydrophobicContact CD2-CB 4.15Å; L29-L81 HydrophobicContact CD2-CD2 3.32Å; L29-L81 HydrophobicContact CD2-CG 4.36Å; L29-L81 HydrophobicContact CG-CD2 3.49Å; L29-L81 VanDerWaalsContact CG-CD2 3.49Å; R77-L81 WeakPolarHBondContact O-CB 3.39Å; R77-L81 PolarHBondContact O-N 3Å; E78-L81 WeakPolarHBondContact O-CB 3.46Å; E78-L81 PolarHBondContact O-N 3.42Å; I79-L81 VanDerWaalsContact C-N 3.27Å; I79-L81 PolarHBondContact O-N 2.89Å; L81-Q83 PolarHBondContact O-N 3.3Å; L81-K84 PolarHBondContact O-N 3.47Å; L81-G85 PolarHBondContact O-N 2.94Å
82	F	93.5	Very high	92.4	Very high	76 Å²	76	91.5 Å²	91.5	33%	0.333	46%	0.455	S	S	.	.	H	α-helix	trans	-68.3	-33.5	-175.5	-64.7	-52.2	0	0	0	112.6	L29 E78 I79 K84 G85 L89	L29-F82 HydrophobicContact CD1-CZ 3.94Å; E78-F82 HydrophobicContact CB-CD2 4.28Å; E78-F82 HydrophobicContact CB-CE2 3.99Å; E78-F82 HydrophobicContact CG-CE2 4.47Å; E78-F82 WeakPolarHBondContact O-CD2 3.44Å; E78-F82 PolarHBondContact O-N 3.02Å; I79-F82 PolarHBondContact O-N 3.44Å; F82-K84 VanDerWaalsContact C-N 3.29Å; F82-K84 PolarHBondContact O-N 3.01Å; F82-G85 PolarHBondContact O-N 2.89Å; F82-L89 HydrophobicContact CD1-CD2 3.64Å; F82-L89 HydrophobicContact CE1-CD2 3.76Å; F82-L89 HydrophobicContact CG-CD2 4.49Å
83	Q	94.4	Very high	92.6	Very high	152 Å²	152	98 Å²	98	71%	0.71	47%	0.466	S	S	*	.	H	α-helix	trans	-68.2	-24.5	174.1	-74.7	179.3	-22.6	0	0	114	I79 L81	I79-Q83 HydrophobicContact CG2-CG 4.31Å; I79-Q83 WeakPolarHBondContact O-CB 3.46Å; I79-Q83 VanDerWaalsContact O-CG 3.29Å; I79-Q83 WeakPolarHBondContact O-CG 3.47Å; I79-Q83 PolarHBondContact O-N 3.36Å; L81-Q83 PolarHBondContact O-N 3.3Å
84	K	94	Very high	92.8	Very high	186 Å²	186	97 Å²	97	81%	0.809	46%	0.463	S	S	*	.	H	α-helix	trans	-83.9	-21.5	176.4	-74	-179.7	-179.3	-167.2	0	112.9	R80 L81 F82	R80-K84 VanDerWaalsContact O-CG 3.29Å; R80-K84 WeakPolarHBondContact O-CG 2.96Å; L81-K84 PolarHBondContact O-N 3.47Å; F82-K84 VanDerWaalsContact C-N 3.29Å; F82-K84 PolarHBondContact O-N 3.01Å
85	G	90.7	Very high	93.2	Very high	33 Å²	33	95.5 Å²	95.5	34%	0.34	45%	0.454	S	S	.	.			trans	-97.1	169.9	-179.9	0	0	0	0	0	112	L81 F82	L81-G85 PolarHBondContact O-N 2.94Å; F82-G85 PolarHBondContact O-N 2.89Å
86	T	92	Very high	93.3	Very high	147 Å²	147	97 Å²	97	90%	0.902	45%	0.453	S	S	*	.			trans	-133.1	26.6	174	63.9	0	0	0	0	110.8
87	E	92.3	Very high	93.5	Very high	66 Å²	66	100.1 Å²	100.1	31%	0.308	46%	0.458	S	S	.	.			trans	-82.2	146.2	-178.2	69.9	-155.1	153.3	0	0	111	L25 L89	L25-E87 HydrophobicContact CD1-CG 4.1Å; L25-E87 WeakPolarHBondContact CD1-OE1 3.43Å; L25-E87 VanDerWaalsContact CD1-OE2 3.28Å; L25-E87 WeakPolarHBondContact CD1-OE2 3.18Å; L25-E87 VanDerWaalsContact CD2-CD 3.41Å; L25-E87 WeakPolarHBondContact CD2-OE1 3.42Å; L25-E87 VanDerWaalsContact CD2-OE2 3.3Å; L25-E87 WeakPolarHBondContact CD2-OE2 3.24Å; L25-E87 WeakPolarHBondContact CG-OE1 3.44Å; E87-L89 HydrophobicContact CG-CD2 4.2Å; E87-L89 PolarHBondContact O-N 2.95Å
88	L	93.5	Very high	93.7	Very high	53 Å²	53	98.5 Å²	98.5	28%	0.277	46%	0.461	S	S	.	.			trans	-69.8	126.2	176.3	-61.7	174	0	0	0	109.9	Q122 E126	L88-Q122 HydrophobicContact CD1-CG 4.19Å; L88-Q122 HydrophobicContact CD2-CG 4.41Å; L88-E126 VanDerWaalsContact CA-OE2 3.27Å; L88-E126 WeakPolarHBondContact CA-OE2 3.5Å
89	L	93.3	Very high	93.9	Very high	94 Å²	94	97.1 Å²	97.1	49%	0.492	46%	0.456	S	S	.	.			trans	-88	-28.5	-174.3	-58	-177.8	0	0	0	112.1	F82 E87 E126	F82-L89 HydrophobicContact CD1-CD2 3.64Å; F82-L89 HydrophobicContact CE1-CD2 3.76Å; F82-L89 HydrophobicContact CG-CD2 4.49Å; E87-L89 HydrophobicContact CG-CD2 4.2Å; E87-L89 PolarHBondContact O-N 2.95Å; L89-E126 PolarHBondContact N-OE1 2.94Å; L89-E126 PolarHBondContact N-OE2 3Å
90	I	94	Very high	93.9	Very high	59 Å²	59	97.9 Å²	97.9	30%	0.303	45%	0.454	S	S	.	.	S	Bend	trans	-80.3	134.5	178.4	-56.2	176.3	0	0	0	109.3	R92 F95 Q122 E126 L129	I90-R92 PolarHBondContact O-N 3.1Å; I90-R92 VanDerWaalsContact O-N 3.12Å; I90-F95 HydrophobicContact CG2-CB 3.98Å; I90-F95 HydrophobicContact CG2-CD2 4.38Å; I90-Q122 PolarHBondContact O-NE2 3.2Å; I90-E126 VanDerWaalsContact CB-OE1 3.28Å; I90-E126 WeakPolarHBondContact CB-OE1 3.37Å; I90-E126 HydrophobicContact CD1-CG 3.78Å; I90-E126 HydrophobicContact CG1-CG 4.01Å; I90-E126 PolarHBondContact N-OE1 3.49Å; I90-L129 HydrophobicContact CD1-CD1 4.41Å
91	R	93.9	Very high	93.9	Very high	177 Å²	177	93 Å²	93	67%	0.668	44%	0.44	S	S	*	.			trans	-61.7	120.8	175.2	-68.7	178.8	178.5	176.8	0	109.8	R93 S94 F95	R91-R93 PolarHBondContact O-N 2.92Å; R91-S94 WeakPolarHBondContact CB-OG 3.26Å; R91-S94 PolarHBondContact O-N 3.24Å; R91-S94 PolarHBondContact O-OG 3.38Å; R91-F95 PolarHBondContact O-N 3.39Å; R91-F95 VanDerWaalsContact O-N 3.11Å
92	R	91.5	Very high	94.1	Very high	109 Å²	109	94.2 Å²	94.2	41%	0.411	45%	0.449	S	S	.	.	H	α-helix	trans	-47.7	-41.4	-179.2	-65.8	179.2	172.1	-146.7	-9.3	114	I90 Q96 E119	I90-R92 PolarHBondContact O-N 3.1Å; I90-R92 VanDerWaalsContact O-N 3.12Å; R92-Q96 VanDerWaalsContact O-CB 3.32Å; R92-Q96 WeakPolarHBondContact O-CB 3.5Å; R92-Q96 PolarHBondContact O-N 3.37Å; R92-E119 IonicContact CZ-OE1 2.79Å; R92-E119 IonicContact NH1-OE1 3.6Å; R92-E119 PolarHBondContact NH1-OE1 3.04Å; R92-E119 IonicContact NH2-OE1 3.21Å; R92-E119 PolarHBondContact NH2-OE1 3.21Å
93	R	93.5	Very high	94.1	Very high	177 Å²	177	91.2 Å²	91.2	67%	0.668	44%	0.438	S	S	*	.	H	α-helix	trans	-68.6	-38.7	-178.4	-170.1	175.9	-172.7	-169.4	2	113.1	R91 R97	R91-R93 PolarHBondContact O-N 2.92Å; R93-R97 WeakPolarHBondContact O-CG 3.5Å; R93-R97 PolarHBondContact O-N 3.47Å
94	S	96.1	Very high	94.1	Very high	56 Å²	56	90.1 Å²	90.1	39%	0.392	43%	0.433	S	S	.	.	H	α-helix	trans	-71.8	-42.2	177.3	47.8	0	0	0	0	110.4	R91 Q96 R97 V98	R91-S94 WeakPolarHBondContact CB-OG 3.26Å; R91-S94 PolarHBondContact O-N 3.24Å; R91-S94 PolarHBondContact O-OG 3.38Å; S94-Q96 PolarHBondContact O-N 3.01Å; S94-R97 WeakPolarHBondContact O-CB 3.32Å; S94-R97 PolarHBondContact O-N 3.11Å; S94-R97 VanDerWaalsContact O-N 3.14Å; S94-V98 PolarHBondContact O-N 3.07Å
95	F	96.5	Very high	94.1	Very high	28 Å²	28	90.3 Å²	90.3	12%	0.123	43%	0.428	C	S	.	.	H	α-helix	trans	-58.9	-46.6	175.7	-171.6	-97.6	0	0	0	111.9	I90 R91 R97 V98 V99 L121 Q122 A125	I90-F95 HydrophobicContact CG2-CB 3.98Å; I90-F95 HydrophobicContact CG2-CD2 4.38Å; R91-F95 PolarHBondContact O-N 3.39Å; R91-F95 VanDerWaalsContact O-N 3.11Å; F95-R97 VanDerWaalsContact C-N 3.25Å; F95-R97 PolarHBondContact O-N 3.37Å; F95-V98 PolarHBondContact O-N 2.96Å; F95-V98 VanDerWaalsContact O-N 3.09Å; F95-V99 HydrophobicContact CD1-CG2 3.84Å; F95-V99 HydrophobicContact CE1-CG2 3.43Å; F95-V99 VanDerWaalsContact CE1-CG2 3.43Å; F95-V99 HydrophobicContact CZ-CG2 3.88Å; F95-V99 WeakPolarHBondContact O-CG2 3.39Å; F95-V99 PolarHBondContact O-N 3.38Å; F95-L121 HydrophobicContact CE1-CB 4.09Å; F95-L121 HydrophobicContact CZ-CB 4.35Å; F95-Q122 HydrophobicContact CD1-CB 3.66Å; F95-Q122 HydrophobicContact CD1-CG 3.94Å; F95-Q122 HydrophobicContact CD2-CG 4.3Å; F95-Q122 VanDerWaalsContact CE1-CA 3.4Å; F95-Q122 HydrophobicContact CE1-CB 3.54Å; F95-Q122 HydrophobicContact CE1-CG 4.17Å; F95-Q122 HydrophobicContact CG-CB 4.25Å; F95-Q122 HydrophobicContact CG-CG 4.02Å; F95-Q122 VanDerWaalsContact CZ-CA 3.47Å; F95-Q122 HydrophobicContact CZ-CB 4.05Å; F95-Q122 HydrophobicContact CZ-CG 4.45Å; F95-A125 HydrophobicContact CE2-CB 3.85Å; F95-A125 HydrophobicContact CZ-CB 3.94Å
96	Q	94.8	Very high	94.3	Very high	78 Å²	78	95.6 Å²	95.6	36%	0.364	44%	0.444	S	S	.	.	H	α-helix	trans	-58.2	-34.9	176.6	177.7	177.8	-17.5	0	0	113.2	R92 S94 R100 L118	R92-Q96 VanDerWaalsContact O-CB 3.32Å; R92-Q96 WeakPolarHBondContact O-CB 3.5Å; R92-Q96 PolarHBondContact O-N 3.37Å; S94-Q96 PolarHBondContact O-N 3.01Å; Q96-R100 WeakPolarHBondContact O-CG 3.35Å; Q96-R100 PolarHBondContact O-N 3.19Å; Q96-L118 HydrophobicContact CG-CD1 3.88Å
97	R	95.3	Very high	94.2	Very high	158 Å²	158	91.4 Å²	91.4	60%	0.596	43%	0.43	S	S	*	.	H	α-helix	trans	-66.5	-43.5	176.5	-73.1	176.6	-178.5	-86.3	7.6	111	R93 S94 F95 R100 D101	R93-R97 WeakPolarHBondContact O-CG 3.5Å; R93-R97 PolarHBondContact O-N 3.47Å; S94-R97 WeakPolarHBondContact O-CB 3.32Å; S94-R97 PolarHBondContact O-N 3.11Å; S94-R97 VanDerWaalsContact O-N 3.14Å; F95-R97 VanDerWaalsContact C-N 3.25Å; F95-R97 PolarHBondContact O-N 3.37Å; R97-R100 PolarHBondContact O-N 3.02Å; R97-D101 PolarHBondContact O-N 3.04Å
98	V	96.3	Very high	94	Very high	84 Å²	84	94.7 Å²	94.7	51%	0.509	44%	0.444	S	S	.	.	H	α-helix	trans	-63.1	-45.5	177.9	176.7	0	0	0	0	111.1	S94 F95 R100 D101 V102	S94-V98 PolarHBondContact O-N 3.07Å; F95-V98 PolarHBondContact O-N 2.96Å; F95-V98 VanDerWaalsContact O-N 3.09Å; V98-R100 VanDerWaalsContact C-N 3.26Å; V98-R100 PolarHBondContact O-N 2.92Å; V98-D101 PolarHBondContact O-N 3.34Å; V98-V102 HydrophobicContact CG1-CG2 4.32Å; V98-V102 WeakPolarHBondContact O-CG2 3.43Å; V98-V102 PolarHBondContact O-N 3.34Å
99	V	95.6	Very high	93.7	Very high	20 Å²	20	96.8 Å²	96.8	12%	0.121	46%	0.46	C	S	.	.	H	α-helix	trans	-58.4	-39.8	178	174.4	0	0	0	0	111.8	F95 A103 F113 L118 L121	F95-V99 HydrophobicContact CD1-CG2 3.84Å; F95-V99 HydrophobicContact CE1-CG2 3.43Å; F95-V99 VanDerWaalsContact CE1-CG2 3.43Å; F95-V99 HydrophobicContact CZ-CG2 3.88Å; F95-V99 WeakPolarHBondContact O-CG2 3.39Å; F95-V99 PolarHBondContact O-N 3.38Å; V99-A103 WeakPolarHBondContact O-CB 3.49Å; V99-A103 PolarHBondContact O-N 2.79Å; V99-F113 HydrophobicContact CG1-CD1 4.3Å; V99-F113 HydrophobicContact CG1-CE1 3.75Å; V99-F113 HydrophobicContact CG1-CE2 4.42Å; V99-F113 HydrophobicContact CG1-CZ 3.8Å; V99-L118 HydrophobicContact CB-CD2 4.22Å; V99-L118 HydrophobicContact CG1-CD2 3.83Å; V99-L121 HydrophobicContact CG1-CD1 3.94Å
100	R	94.2	Very high	93.4	Very high	100 Å²	100	100.8 Å²	100.8	38%	0.377	48%	0.476	S	S	.	.	H	α-helix	trans	-72	-38.9	178.1	-70.3	177.2	-174.5	-84.6	1.5	112.7	Q96 R97 V98 A103 Q104 F113	Q96-R100 WeakPolarHBondContact O-CG 3.35Å; Q96-R100 PolarHBondContact O-N 3.19Å; R97-R100 PolarHBondContact O-N 3.02Å; V98-R100 VanDerWaalsContact C-N 3.26Å; V98-R100 PolarHBondContact O-N 2.92Å; R100-A103 PolarHBondContact O-N 3.35Å; R100-Q104 WeakPolarHBondContact O-CB 3.49Å; R100-Q104 PolarHBondContact O-N 2.94Å; R100-F113 HydrophobicContact CG-CD2 4.37Å; R100-F113 HydrophobicContact CG-CE2 4.28Å
101	D	94.9	Very high	93.3	Very high	61 Å²	61	101.8 Å²	101.8	33%	0.326	48%	0.482	S	S	.	.	H	α-helix	trans	-61.1	-45.7	173.6	179.4	42.5	0	0	0	111.1	R97 V98 A103 Q104 R105	R97-D101 PolarHBondContact O-N 3.04Å; V98-D101 PolarHBondContact O-N 3.34Å; D101-A103 PolarHBondContact O-N 2.86Å; D101-Q104 WeakPolarHBondContact O-CB 3.5Å; D101-Q104 PolarHBondContact O-N 3.29Å; D101-R105 WeakPolarHBondContact O-CG 3.47Å; D101-R105 PolarHBondContact O-N 3.47Å; D101-R105 IonicContact OD1-CZ 2.67Å; D101-R105 IonicContact OD1-NE 2.9Å; D101-R105 PolarHBondContact OD1-NE 3.2Å; D101-R105 IonicContact OD1-NH2 3.93Å; D101-R105 IonicContact OD2-CZ 3.93Å; D101-R105 VanDerWaalsContact OD2-CZ 3.27Å; D101-R105 IonicContact OD2-NE 2.77Å; D101-R105 PolarHBondContact OD2-NE 2.95Å; D101-R105 IonicContact OD2-NH2 3.68Å; D101-R105 PolarHBondContact OD2-NH2 3.41Å
102	V	95.3	Very high	93.3	Very high	64 Å²	64	102.6 Å²	102.6	39%	0.388	49%	0.49	S	S	.	.	H	α-helix	trans	-61.1	-45.5	175.1	172.5	0	0	0	0	111.4	V98 Q104 R105 H106	V98-V102 HydrophobicContact CG1-CG2 4.32Å; V98-V102 WeakPolarHBondContact O-CG2 3.43Å; V98-V102 PolarHBondContact O-N 3.34Å; V102-Q104 VanDerWaalsContact C-N 3.3Å; V102-Q104 PolarHBondContact O-N 3.05Å; V102-R105 PolarHBondContact O-N 3.33Å; V102-H106 PolarHBondContact O-CD2 2.93Å; V102-H106 PolarHBondContact O-N 3.35Å
103	A	94.6	Very high	93.4	Very high	13 Å²	13	99.7 Å²	99.7	11%	0.107	48%	0.481	C	S	.	.	H	α-helix	trans	-61.9	-37.1	176.8	0	0	0	0	0	113.1	V99 R100 D101 H106 K108 F113	V99-A103 WeakPolarHBondContact O-CB 3.49Å; V99-A103 PolarHBondContact O-N 2.79Å; R100-A103 PolarHBondContact O-N 3.35Å; D101-A103 PolarHBondContact O-N 2.86Å; A103-H106 PolarHBondContact O-N 3.11Å; A103-K108 PolarHBondContact O-N 2.95Å; A103-K108 VanDerWaalsContact O-N 3.1Å; A103-F113 HydrophobicContact CB-CE2 4.08Å; A103-F113 HydrophobicContact CB-CZ 3.82Å
104	Q	94.2	Very high	93.5	Very high	129 Å²	129	97.5 Å²	97.5	60%	0.603	48%	0.478	S	S	*	.	H	α-helix	trans	-65.1	-43.6	174.5	-176.6	176.5	-5.1	0	0	111.4	R100 D101 V102 H106 G107	R100-Q104 WeakPolarHBondContact O-CB 3.49Å; R100-Q104 PolarHBondContact O-N 2.94Å; D101-Q104 WeakPolarHBondContact O-CB 3.5Å; D101-Q104 PolarHBondContact O-N 3.29Å; V102-Q104 VanDerWaalsContact C-N 3.3Å; V102-Q104 PolarHBondContact O-N 3.05Å; Q104-H106 VanDerWaalsContact C-N 3.27Å; Q104-H106 PolarHBondContact O-N 3.06Å; Q104-G107 PolarHBondContact O-N 3.31Å
105	R	94.7	Very high	93.3	Very high	190 Å²	190	103 Å²	103	72%	0.717	49%	0.49	S	S	*	.	H	α-helix	trans	-64.2	-29.6	176.2	-67.5	174.3	-166.9	-155.1	6.1	113.2	D101 V102 G107	D101-R105 WeakPolarHBondContact O-CG 3.47Å; D101-R105 PolarHBondContact O-N 3.47Å; D101-R105 IonicContact OD1-CZ 2.67Å; D101-R105 IonicContact OD1-NE 2.9Å; D101-R105 PolarHBondContact OD1-NE 3.2Å; D101-R105 IonicContact OD1-NH2 3.93Å; D101-R105 IonicContact OD2-CZ 3.93Å; D101-R105 VanDerWaalsContact OD2-CZ 3.27Å; D101-R105 IonicContact OD2-NE 2.77Å; D101-R105 PolarHBondContact OD2-NE 2.95Å; D101-R105 IonicContact OD2-NH2 3.68Å; D101-R105 PolarHBondContact OD2-NH2 3.41Å; V102-R105 PolarHBondContact O-N 3.33Å; R105-G107 PolarHBondContact O-N 3.22Å
106	H	93.4	Very high	93.3	Very high	144 Å²	144	106.8 Å²	106.8	67%	0.667	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	11.7	173.3	-72.7	-65.8	0	0	0	114.2	V102 A103 Q104 K108	V102-H106 PolarHBondContact O-CD2 2.93Å; V102-H106 PolarHBondContact O-N 3.35Å; A103-H106 PolarHBondContact O-N 3.11Å; Q104-H106 VanDerWaalsContact C-N 3.27Å; Q104-H106 PolarHBondContact O-N 3.06Å; H106-K108 PolarHBondContact O-N 3.21Å
107	G	89.9	Confident	93.4	Very high	60 Å²	60	105 Å²	105	62%	0.619	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	18.8	175.1	0	0	0	0	0	114.8	Q104 R105 P109	Q104-G107 PolarHBondContact O-N 3.31Å; R105-G107 PolarHBondContact O-N 3.22Å; G107-P109 VanDerWaalsContact O-CD 3.24Å; G107-P109 WeakPolarHBondContact O-CD 3.48Å
108	K	89.1	Confident	93.4	Very high	135 Å²	135	98.4 Å²	98.4	59%	0.587	49%	0.486	S	S	*	.			trans	-117.4	62	179	-62.3	-177.6	-178.5	177.4	0	111.9	A103 H106 E110 L111	A103-K108 PolarHBondContact O-N 2.95Å; A103-K108 VanDerWaalsContact O-N 3.1Å; H106-K108 PolarHBondContact O-N 3.21Å; K108-E110 VanDerWaalsContact C-N 3.26Å; K108-E110 PolarHBondContact O-N 2.73Å; K108-L111 HydrophobicContact CB-CB 4.32Å; K108-L111 WeakPolarHBondContact O-CB 3.29Å; K108-L111 PolarHBondContact O-N 3.36Å
109	P	85.7	Confident	93.4	Very high	97 Å²	97	96.5 Å²	96.5	63%	0.63	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.5	-174.7	27	-34.5	0	0	0	113.5	G107 L111	G107-P109 VanDerWaalsContact O-CD 3.24Å; G107-P109 WeakPolarHBondContact O-CD 3.48Å; P109-L111 VanDerWaalsContact C-N 3.3Å; P109-L111 PolarHBondContact O-N 3.26Å
110	E	88.5	Confident	93.4	Very high	177 Å²	177	98.3 Å²	98.3	83%	0.827	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	0.2	-175.8	-60	-176.9	175.3	0	0	113.8	K108 K112	K108-E110 VanDerWaalsContact C-N 3.26Å; K108-E110 PolarHBondContact O-N 2.73Å; E110-K112 PolarHBondContact O-N 2.96Å
111	L	92	Very high	93.5	Very high	81 Å²	81	97.4 Å²	97.4	42%	0.424	49%	0.49	S	S	.	.			trans	-66.1	120.9	-173.7	-168.3	66.6	0	0	0	111.7	K108 P109 F113	K108-L111 HydrophobicContact CB-CB 4.32Å; K108-L111 WeakPolarHBondContact O-CB 3.29Å; K108-L111 PolarHBondContact O-N 3.36Å; P109-L111 VanDerWaalsContact C-N 3.3Å; P109-L111 PolarHBondContact O-N 3.26Å; L111-F113 HydrophobicContact CB-CE2 4.38Å; L111-F113 HydrophobicContact CD2-CE1 4.02Å; L111-F113 HydrophobicContact CD2-CE2 4.05Å; L111-F113 HydrophobicContact CD2-CZ 3.58Å; L111-F113 HydrophobicContact CG-CE2 4.22Å; L111-F113 HydrophobicContact CG-CZ 4.22Å
112	K	93.1	Very high	93.6	Very high	193 Å²	193	94.7 Å²	94.7	84%	0.839	48%	0.476	S	S	*	.			trans	-91	133.1	172.8	-65.7	178.3	-176.7	171.7	0	109.5	E110	E110-K112 PolarHBondContact O-N 2.96Å
113	F	93.2	Very high	93.7	Very high	48 Å²	48	95.2 Å²	95.2	21%	0.211	48%	0.479	C	S	.	.			trans	-105.8	128.4	178.4	-69	-90.1	0	0	0	110.6	V99 R100 A103 L111 L118	V99-F113 HydrophobicContact CG1-CD1 4.3Å; V99-F113 HydrophobicContact CG1-CE1 3.75Å; V99-F113 HydrophobicContact CG1-CE2 4.42Å; V99-F113 HydrophobicContact CG1-CZ 3.8Å; R100-F113 HydrophobicContact CG-CD2 4.37Å; R100-F113 HydrophobicContact CG-CE2 4.28Å; A103-F113 HydrophobicContact CB-CE2 4.08Å; A103-F113 HydrophobicContact CB-CZ 3.82Å; L111-F113 HydrophobicContact CB-CE2 4.38Å; L111-F113 HydrophobicContact CD2-CE1 4.02Å; L111-F113 HydrophobicContact CD2-CE2 4.05Å; L111-F113 HydrophobicContact CD2-CZ 3.58Å; L111-F113 HydrophobicContact CG-CE2 4.22Å; L111-F113 HydrophobicContact CG-CZ 4.22Å; F113-L118 HydrophobicContact CB-CD1 4.05Å; F113-L118 HydrophobicContact CB-CD2 3.9Å; F113-L118 HydrophobicContact CB-CG 3.83Å; F113-L118 HydrophobicContact CD1-CD2 3.95Å; F113-L118 HydrophobicContact CG-CD2 3.94Å; F113-L118 HydrophobicContact CG-CG 4.41Å
114	Q	95.7	Very high	93.8	Very high	132 Å²	132	97.5 Å²	97.5	62%	0.617	50%	0.498	S	S	*	.			trans	-66.3	148.9	165.6	-167.8	179.2	2.4	0	0	109.8	I116 A117 L118	Q114-I116 VanDerWaalsContact C-N 3.29Å; Q114-I116 HydrophobicContact CG-CB 4.48Å; Q114-I116 PolarHBondContact O-N 3.38Å; Q114-A117 HydrophobicContact CB-CB 4.21Å; Q114-A117 PolarHBondContact O-N 2.94Å; Q114-L118 PolarHBondContact O-N 2.73Å
115	R	93.3	Very high	94	Very high	170 Å²	170	92.9 Å²	92.9	64%	0.642	48%	0.482	S	S	*	.	H	α-helix	trans	-56.9	-43.4	175.6	178.3	-177.2	157.2	-135.7	-14.5	112.1	A117 L118 E119	R115-A117 VanDerWaalsContact C-N 3.34Å; R115-A117 PolarHBondContact O-N 2.67Å; R115-L118 PolarHBondContact O-N 3.24Å; R115-E119 IonicContact CZ-OE1 3.48Å; R115-E119 VanDerWaalsContact CZ-OE1 3.27Å; R115-E119 IonicContact NE-OE1 3.55Å; R115-E119 PolarHBondContact NE-OE1 3.25Å; R115-E119 IonicContact NH2-OE1 3.54Å; R115-E119 PolarHBondContact NH2-OE1 2.87Å; R115-E119 IonicContact NH2-OE2 3.27Å; R115-E119 PolarHBondContact O-N 3.13Å
116	I	95.9	Very high	94.1	Very high	109 Å²	109	84.4 Å²	84.4	56%	0.559	45%	0.451	S	S	*	.	H	α-helix	trans	-63.9	-40.8	-179.4	-61.1	175.2	0	0	0	110.6	Q114 L118 E119 A120	Q114-I116 VanDerWaalsContact C-N 3.29Å; Q114-I116 HydrophobicContact CG-CB 4.48Å; Q114-I116 PolarHBondContact O-N 3.38Å; I116-L118 VanDerWaalsContact C-N 3.33Å; I116-L118 PolarHBondContact O-N 3.35Å; I116-E119 PolarHBondContact O-N 2.9Å; I116-A120 WeakPolarHBondContact O-CB 3.35Å; I116-A120 PolarHBondContact O-N 3.5Å
117	A	96.1	Very high	94.2	Very high	39 Å²	39	80.4 Å²	80.4	32%	0.322	44%	0.443	S	S	.	.	H	α-helix	trans	-60.2	-42	176.4	0	0	0	0	0	112.2	Q114 R115 A120 L121	Q114-A117 HydrophobicContact CB-CB 4.21Å; Q114-A117 PolarHBondContact O-N 2.94Å; R115-A117 VanDerWaalsContact C-N 3.34Å; R115-A117 PolarHBondContact O-N 2.67Å; A117-A120 PolarHBondContact O-N 3.33Å; A117-L121 WeakPolarHBondContact O-CG 3.1Å; A117-L121 PolarHBondContact O-N 2.82Å
118	L	95.8	Very high	94.6	Very high	20 Å²	20	82.3 Å²	82.3	11%	0.105	43%	0.432	C	S	.	.	H	α-helix	trans	-66.2	-39.4	175.6	-67.3	173	0	0	0	112.5	Q96 V99 F113 Q114 R115 I116 Q122	Q96-L118 HydrophobicContact CG-CD1 3.88Å; V99-L118 HydrophobicContact CB-CD2 4.22Å; V99-L118 HydrophobicContact CG1-CD2 3.83Å; F113-L118 HydrophobicContact CB-CD1 4.05Å; F113-L118 HydrophobicContact CB-CD2 3.9Å; F113-L118 HydrophobicContact CB-CG 3.83Å; F113-L118 HydrophobicContact CD1-CD2 3.95Å; F113-L118 HydrophobicContact CG-CD2 3.94Å; F113-L118 HydrophobicContact CG-CG 4.41Å; Q114-L118 PolarHBondContact O-N 2.73Å; R115-L118 PolarHBondContact O-N 3.24Å; I116-L118 VanDerWaalsContact C-N 3.33Å; I116-L118 PolarHBondContact O-N 3.35Å; L118-Q122 WeakPolarHBondContact O-CB 3.08Å; L118-Q122 PolarHBondContact O-N 2.49Å
119	E	95.4	Very high	94.9	Very high	45 Å²	45	80 Å²	80	21%	0.21	43%	0.425	C	S	.	.	H	α-helix	trans	-66.5	-38.8	176.1	-72	179.6	174.3	0	0	111.5	R92 R115 I116 Q122 T123	R92-E119 IonicContact CZ-OE1 2.79Å; R92-E119 IonicContact NH1-OE1 3.6Å; R92-E119 PolarHBondContact NH1-OE1 3.04Å; R92-E119 IonicContact NH2-OE1 3.21Å; R92-E119 PolarHBondContact NH2-OE1 3.21Å; R115-E119 IonicContact CZ-OE1 3.48Å; R115-E119 VanDerWaalsContact CZ-OE1 3.27Å; R115-E119 IonicContact NE-OE1 3.55Å; R115-E119 PolarHBondContact NE-OE1 3.25Å; R115-E119 IonicContact NH2-OE1 3.54Å; R115-E119 PolarHBondContact NH2-OE1 2.87Å; R115-E119 IonicContact NH2-OE2 3.27Å; R115-E119 PolarHBondContact O-N 3.13Å; I116-E119 PolarHBondContact O-N 2.9Å; E119-Q122 PolarHBondContact O-N 3.12Å; E119-T123 WeakPolarHBondContact O-CB 3.34Å; E119-T123 PolarHBondContact O-N 3.29Å; E119-T123 PolarHBondContact O-OG1 3.44Å
120	A	96.8	Very high	95.4	Very high	58 Å²	58	79.5 Å²	79.5	48%	0.479	42%	0.416	S	S	.	.	H	α-helix	trans	-65.1	-47.6	175.5	0	0	0	0	0	112	I116 A117 Q122 T123 A124	I116-A120 WeakPolarHBondContact O-CB 3.35Å; I116-A120 PolarHBondContact O-N 3.5Å; A117-A120 PolarHBondContact O-N 3.33Å; A120-Q122 VanDerWaalsContact C-N 3.28Å; A120-Q122 PolarHBondContact O-N 3.27Å; A120-T123 PolarHBondContact O-N 3.07Å; A120-A124 WeakPolarHBondContact O-CB 3.44Å; A120-A124 PolarHBondContact O-N 3.35Å
121	L	96.7	Very high	95.8	Very high	80 Å²	80	71.9 Å²	71.9	42%	0.419	39%	0.385	S	S	.	.	H	α-helix	trans	-58.8	-41.1	174.9	-74.1	173.7	0	0	0	111.8	F95 V99 A117 A125	F95-L121 HydrophobicContact CE1-CB 4.09Å; F95-L121 HydrophobicContact CZ-CB 4.35Å; V99-L121 HydrophobicContact CG1-CD1 3.94Å; A117-L121 WeakPolarHBondContact O-CG 3.1Å; A117-L121 PolarHBondContact O-N 2.82Å; L121-A125 VanDerWaalsContact O-CB 3.25Å; L121-A125 WeakPolarHBondContact O-CB 3.46Å; L121-A125 PolarHBondContact O-N 2.83Å
122	Q	96.8	Very high	96	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.019	37%	0.368	C	S	.	.	H	α-helix	trans	-65.5	-45.2	178	-171.9	173.3	-14.7	0	0	111.6	L88 I90 F95 L118 E119 A120 A124 A125 E126	L88-Q122 HydrophobicContact CD1-CG 4.19Å; L88-Q122 HydrophobicContact CD2-CG 4.41Å; I90-Q122 PolarHBondContact O-NE2 3.2Å; F95-Q122 HydrophobicContact CD1-CB 3.66Å; F95-Q122 HydrophobicContact CD1-CG 3.94Å; F95-Q122 HydrophobicContact CD2-CG 4.3Å; F95-Q122 VanDerWaalsContact CE1-CA 3.4Å; F95-Q122 HydrophobicContact CE1-CB 3.54Å; F95-Q122 HydrophobicContact CE1-CG 4.17Å; F95-Q122 HydrophobicContact CG-CB 4.25Å; F95-Q122 HydrophobicContact CG-CG 4.02Å; F95-Q122 VanDerWaalsContact CZ-CA 3.47Å; F95-Q122 HydrophobicContact CZ-CB 4.05Å; F95-Q122 HydrophobicContact CZ-CG 4.45Å; L118-Q122 WeakPolarHBondContact O-CB 3.08Å; L118-Q122 PolarHBondContact O-N 2.49Å; E119-Q122 PolarHBondContact O-N 3.12Å; A120-Q122 VanDerWaalsContact C-N 3.28Å; A120-Q122 PolarHBondContact O-N 3.27Å; Q122-A124 PolarHBondContact O-N 2.91Å; Q122-A125 PolarHBondContact O-N 3.22Å; Q122-E126 HydrophobicContact CG-CG 4.46Å; Q122-E126 PolarHBondContact NE2-OE1 2.7Å; Q122-E126 WeakPolarHBondContact O-CG 3.22Å; Q122-E126 PolarHBondContact O-N 2.88Å
123	T	96.6	Very high	96.2	Very high	75 Å²	75	63.6 Å²	63.6	46%	0.46	35%	0.349	S	S	.	.	H	α-helix	trans	-61.2	-45.9	179.4	-53.7	0	0	0	0	110.9	E119 A120 A127	E119-T123 WeakPolarHBondContact O-CB 3.34Å; E119-T123 PolarHBondContact O-N 3.29Å; E119-T123 PolarHBondContact O-OG1 3.44Å; A120-T123 PolarHBondContact O-N 3.07Å; T123-A127 VanDerWaalsContact O-CB 3.32Å; T123-A127 WeakPolarHBondContact O-CB 3.37Å; T123-A127 PolarHBondContact O-N 3.46Å
124	A	97.2	Very high	96.3	Very high	62 Å²	62	66.8 Å²	66.8	51%	0.512	36%	0.364	S	S	.	.	H	α-helix	trans	-64.4	-43.6	177.6	0	0	0	0	0	112.4	A120 Q122 A127 Y128	A120-A124 WeakPolarHBondContact O-CB 3.44Å; A120-A124 PolarHBondContact O-N 3.35Å; Q122-A124 PolarHBondContact O-N 2.91Å; A124-A127 PolarHBondContact O-N 2.93Å; A124-Y128 WeakPolarHBondContact O-CB 3.5Å; A124-Y128 PolarHBondContact O-N 3Å
125	A	97.4	Very high	96.4	Very high	31 Å²	31	63.2 Å²	63.2	26%	0.256	35%	0.35	S	S	.	.	H	α-helix	trans	-64.3	-44.4	179	0	0	0	0	0	112.3	F95 L121 Q122 Y128 L129	F95-A125 HydrophobicContact CE2-CB 3.85Å; F95-A125 HydrophobicContact CZ-CB 3.94Å; L121-A125 VanDerWaalsContact O-CB 3.25Å; L121-A125 WeakPolarHBondContact O-CB 3.46Å; L121-A125 PolarHBondContact O-N 2.83Å; Q122-A125 PolarHBondContact O-N 3.22Å; A125-Y128 PolarHBondContact O-N 3.16Å; A125-L129 VanDerWaalsContact O-CG 3.31Å; A125-L129 WeakPolarHBondContact O-CG 3.47Å; A125-L129 PolarHBondContact O-N 3.37Å
126	E	97	Very high	96.6	Very high	13 Å²	13	55.3 Å²	55.3	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-41.1	176.9	-71.6	-172.1	-153.1	0	0	111.7	L88 L89 I90 Q122 Y128 L129 I130	L88-E126 VanDerWaalsContact CA-OE2 3.27Å; L88-E126 WeakPolarHBondContact CA-OE2 3.5Å; L89-E126 PolarHBondContact N-OE1 2.94Å; L89-E126 PolarHBondContact N-OE2 3Å; I90-E126 VanDerWaalsContact CB-OE1 3.28Å; I90-E126 WeakPolarHBondContact CB-OE1 3.37Å; I90-E126 HydrophobicContact CD1-CG 3.78Å; I90-E126 HydrophobicContact CG1-CG 4.01Å; I90-E126 PolarHBondContact N-OE1 3.49Å; Q122-E126 HydrophobicContact CG-CG 4.46Å; Q122-E126 PolarHBondContact NE2-OE1 2.7Å; Q122-E126 WeakPolarHBondContact O-CG 3.22Å; Q122-E126 PolarHBondContact O-N 2.88Å; E126-Y128 PolarHBondContact O-N 3.27Å; E126-L129 PolarHBondContact O-N 2.9Å; E126-I130 WeakPolarHBondContact O-CD1 3.46Å; E126-I130 VanDerWaalsContact O-CG1 3.22Å; E126-I130 WeakPolarHBondContact O-CG1 3.43Å; E126-I130 PolarHBondContact O-N 3.39Å
127	A	96.6	Very high	96.7	Very high	60 Å²	60	53.5 Å²	53.5	50%	0.496	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-44	175.5	0	0	0	0	0	112.3	T123 A124 I130 G131	T123-A127 VanDerWaalsContact O-CB 3.32Å; T123-A127 WeakPolarHBondContact O-CB 3.37Å; T123-A127 PolarHBondContact O-N 3.46Å; A124-A127 PolarHBondContact O-N 2.93Å; A127-I130 PolarHBondContact O-N 3.19Å; A127-G131 PolarHBondContact O-N 3.34Å
128	Y	96.8	Very high	96.7	Very high	100 Å²	100	56.8 Å²	56.8	39%	0.392	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-45.7	175.7	170.9	-95.7	0	0	0	111.9	A124 A125 E126 I130 G131 L132 E162	A124-Y128 WeakPolarHBondContact O-CB 3.5Å; A124-Y128 PolarHBondContact O-N 3Å; A125-Y128 PolarHBondContact O-N 3.16Å; E126-Y128 PolarHBondContact O-N 3.27Å; Y128-I130 PolarHBondContact O-N 2.94Å; Y128-G131 PolarHBondContact O-N 3.17Å; Y128-L132 HydrophobicContact CE1-CD2 4.37Å; Y128-L132 WeakPolarHBondContact O-CB 3.22Å; Y128-L132 PolarHBondContact O-N 2.75Å; Y128-E162 WeakPolarHBondContact CE2-OE1 3.44Å; Y128-E162 WeakPolarHBondContact CE2-OE2 3.34Å; Y128-E162 PolarHBondContact OH-OE2 3.13Å
129	L	96.5	Very high	96.8	Very high	85 Å²	85	56.6 Å²	56.6	45%	0.445	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-41.8	177.6	-71.6	173.9	0	0	0	112	I90 A125 E126 L132 M133	I90-L129 HydrophobicContact CD1-CD1 4.41Å; A125-L129 VanDerWaalsContact O-CG 3.31Å; A125-L129 WeakPolarHBondContact O-CG 3.47Å; A125-L129 PolarHBondContact O-N 3.37Å; E126-L129 PolarHBondContact O-N 2.9Å; L129-L132 PolarHBondContact O-N 3.06Å; L129-M133 WeakPolarHBondContact O-CB 3.36Å; L129-M133 WeakPolarHBondContact O-CG 3.43Å; L129-M133 PolarHBondContact O-N 3.28Å
130	I	96.4	Very high	96.9	Very high	88 Å²	88	54.4 Å²	54.4	45%	0.451	31%	0.314	S	S	.	.	H	α-helix	trans	-59.8	-50.7	176.3	-69.3	162.3	0	0	0	109.8	E126 A127 Y128 L132 M133 E134	E126-I130 WeakPolarHBondContact O-CD1 3.46Å; E126-I130 VanDerWaalsContact O-CG1 3.22Å; E126-I130 WeakPolarHBondContact O-CG1 3.43Å; E126-I130 PolarHBondContact O-N 3.39Å; A127-I130 PolarHBondContact O-N 3.19Å; Y128-I130 PolarHBondContact O-N 2.94Å; I130-L132 VanDerWaalsContact C-N 3.34Å; I130-L132 PolarHBondContact O-N 3.42Å; I130-M133 PolarHBondContact O-N 3.27Å; I130-M133 VanDerWaalsContact O-N 3.13Å; I130-E134 WeakPolarHBondContact O-CG 3.41Å; I130-E134 PolarHBondContact O-N 2.91Å
131	G	96	Very high	96.9	Very high	17 Å²	17	56.3 Å²	56.3	18%	0.175	32%	0.315	C	S	.	.	H	α-helix	trans	-58.7	-44.7	177.8	0	0	0	0	0	112.1	A127 Y128 M133 E134 D135 R160	A127-G131 PolarHBondContact O-N 3.34Å; Y128-G131 PolarHBondContact O-N 3.17Å; G131-M133 VanDerWaalsContact C-N 3.28Å; G131-M133 PolarHBondContact O-N 3.36Å; G131-E134 PolarHBondContact O-N 3.38Å; G131-D135 PolarHBondContact O-N 3.47Å; G131-R160 PolarHBondContact O-NH2 2.77Å
132	L	96.7	Very high	96.9	Very high	10 Å²	10	60.3 Å²	60.3	5%	0.052	33%	0.331	C	S	.	.	H	α-helix	trans	-61.3	-38.7	177.8	178.1	60.5	0	0	0	111.9	Y128 L129 I130 D135 T136 M153 A156 L157	Y128-L132 HydrophobicContact CE1-CD2 4.37Å; Y128-L132 WeakPolarHBondContact O-CB 3.22Å; Y128-L132 PolarHBondContact O-N 2.75Å; L129-L132 PolarHBondContact O-N 3.06Å; I130-L132 VanDerWaalsContact C-N 3.34Å; I130-L132 PolarHBondContact O-N 3.42Å; L132-D135 PolarHBondContact O-N 3.29Å; L132-T136 VanDerWaalsContact O-CB 3.31Å; L132-T136 WeakPolarHBondContact O-CB 3.25Å; L132-T136 PolarHBondContact O-N 3.27Å; L132-T136 PolarHBondContact O-OG1 3.05Å; L132-M153 HydrophobicContact CD1-CG 4.36Å; L132-M153 HydrophobicContact CD2-CG 4.1Å; L132-M153 HydrophobicContact CD2-SD 4.29Å; L132-M153 HydrophobicContact CG-CG 4.31Å; L132-A156 HydrophobicContact CD1-CB 4.1Å; L132-L157 HydrophobicContact CD1-CD2 3.64Å; L132-L157 HydrophobicContact CD1-CG 3.84Å; L132-L157 HydrophobicContact CD2-CD2 4.06Å; L132-L157 HydrophobicContact CD2-CG 4.5Å
133	M	97	Very high	97	Very high	89 Å²	89	62.3 Å²	62.3	44%	0.438	35%	0.349	S	S	.	.	H	α-helix	trans	-71.2	-31	179.2	-68.8	-70.1	-68.3	0	0	112.5	L129 I130 G131 N137 I148	L129-M133 WeakPolarHBondContact O-CB 3.36Å; L129-M133 WeakPolarHBondContact O-CG 3.43Å; L129-M133 PolarHBondContact O-N 3.28Å; I130-M133 PolarHBondContact O-N 3.27Å; I130-M133 VanDerWaalsContact O-N 3.13Å; G131-M133 VanDerWaalsContact C-N 3.28Å; G131-M133 PolarHBondContact O-N 3.36Å; M133-N137 VanDerWaalsContact O-CB 3.27Å; M133-N137 WeakPolarHBondContact O-CB 3.27Å; M133-N137 PolarHBondContact O-N 2.76Å; M133-I148 HydrophobicContact CE-CD1 3.28Å; M133-I148 HydrophobicContact SD-CD1 4.22Å
134	E	96.6	Very high	97	Very high	116 Å²	116	68.6 Å²	68.6	54%	0.542	37%	0.37	S	S	.	.	H	α-helix	trans	-62.7	-50	171.9	-72.3	173.5	176.6	0	0	111.1	I130 G131 T136 N137 L138	I130-E134 WeakPolarHBondContact O-CG 3.41Å; I130-E134 PolarHBondContact O-N 2.91Å; G131-E134 PolarHBondContact O-N 3.38Å; E134-T136 VanDerWaalsContact C-N 3.35Å; E134-T136 PolarHBondContact O-N 3.25Å; E134-N137 WeakPolarHBondContact O-CB 3.31Å; E134-N137 PolarHBondContact O-N 3.26Å; E134-N137 VanDerWaalsContact O-N 3.17Å; E134-L138 WeakPolarHBondContact O-CG 3.47Å; E134-L138 PolarHBondContact O-N 3.42Å
135	D	97.1	Very high	97	Very high	57 Å²	57	67.9 Å²	67.9	31%	0.305	35%	0.354	S	S	.	.	H	α-helix	trans	-64	-41.2	177.1	-70.6	-6.9	0	0	0	111.9	G131 L132 N137 L138 A139 A156 R160	G131-D135 PolarHBondContact O-N 3.47Å; L132-D135 PolarHBondContact O-N 3.29Å; D135-N137 VanDerWaalsContact C-N 3.27Å; D135-N137 PolarHBondContact O-N 2.97Å; D135-L138 WeakPolarHBondContact O-CB 3.48Å; D135-L138 PolarHBondContact O-N 2.93Å; D135-A139 PolarHBondContact O-N 3.38Å; D135-A156 HydrophobicContact CB-CB 3.8Å; D135-R160 VanDerWaalsContact CG-NH2 3.34Å; D135-R160 IonicContact OD1-NH2 2.7Å; D135-R160 IonicContact OD2-CZ 3.13Å; D135-R160 IonicContact OD2-NE 2.73Å; D135-R160 PolarHBondContact OD2-NE 3.17Å; D135-R160 IonicContact OD2-NH2 3.4Å; D135-R160 PolarHBondContact OD2-NH2 2.72Å
136	T	97.8	Very high	96.9	Very high	3 Å²	3	75.5 Å²	75.5	2%	0.018	38%	0.384	C	S	.	.	H	α-helix	trans	-60.7	-38.8	175.5	-59.3	0	0	0	0	111.2	L132 E134 A139 S140 I148 D152 M153	L132-T136 VanDerWaalsContact O-CB 3.31Å; L132-T136 WeakPolarHBondContact O-CB 3.25Å; L132-T136 PolarHBondContact O-N 3.27Å; L132-T136 PolarHBondContact O-OG1 3.05Å; E134-T136 VanDerWaalsContact C-N 3.35Å; E134-T136 PolarHBondContact O-N 3.25Å; T136-A139 PolarHBondContact O-N 3.48Å; T136-S140 PolarHBondContact O-N 3Å; T136-I148 HydrophobicContact CG2-CB 4.01Å; T136-I148 HydrophobicContact CG2-CG2 4.01Å; T136-D152 HydrophobicContact CG2-CB 3.75Å; T136-M153 HydrophobicContact CG2-CB 4.1Å
137	N	97.4	Very high	96.9	Very high	71 Å²	71	79.5 Å²	79.5	38%	0.38	41%	0.41	S	S	.	.	H	α-helix	trans	-66.9	-42.1	175.9	-177.1	54.6	0	0	0	111.5	M133 E134 D135 A139 S140 I141	M133-N137 VanDerWaalsContact O-CB 3.27Å; M133-N137 WeakPolarHBondContact O-CB 3.27Å; M133-N137 PolarHBondContact O-N 2.76Å; E134-N137 WeakPolarHBondContact O-CB 3.31Å; E134-N137 PolarHBondContact O-N 3.26Å; E134-N137 VanDerWaalsContact O-N 3.17Å; D135-N137 VanDerWaalsContact C-N 3.27Å; D135-N137 PolarHBondContact O-N 2.97Å; N137-A139 VanDerWaalsContact C-N 3.34Å; N137-A139 PolarHBondContact O-N 3.24Å; N137-S140 PolarHBondContact O-N 3.47Å; N137-I141 VanDerWaalsContact O-CG1 3.32Å; N137-I141 WeakPolarHBondContact O-CG1 3.3Å; N137-I141 PolarHBondContact O-N 3.31Å
138	L	97.1	Very high	96.9	Very high	109 Å²	109	80 Å²	80	57%	0.571	40%	0.403	S	S	*	.	H	α-helix	trans	-60.3	-42.8	173.9	-66.8	176.4	0	0	0	111.9	E134 D135 S140 I141 H142	E134-L138 WeakPolarHBondContact O-CG 3.47Å; E134-L138 PolarHBondContact O-N 3.42Å; D135-L138 WeakPolarHBondContact O-CB 3.48Å; D135-L138 PolarHBondContact O-N 2.93Å; L138-S140 PolarHBondContact O-N 3.44Å; L138-I141 PolarHBondContact O-N 3.49Å; L138-H142 WeakPolarHBondContact O-CB 3.5Å; L138-H142 PolarHBondContact O-N 2.88Å
139	A	97	Very high	96.9	Very high	15 Å²	15	78.3 Å²	78.3	12%	0.124	40%	0.399	C	S	.	.	H	α-helix	trans	-62.5	-39.7	175.2	0	0	0	0	0	112.7	D135 T136 N137 H142 A143 D152 L155	D135-A139 PolarHBondContact O-N 3.38Å; T136-A139 PolarHBondContact O-N 3.48Å; N137-A139 VanDerWaalsContact C-N 3.34Å; N137-A139 PolarHBondContact O-N 3.24Å; A139-H142 PolarHBondContact O-N 2.92Å; A139-A143 PolarHBondContact O-N 3.17Å; A139-D152 HydrophobicContact CB-CB 4.02Å; A139-L155 HydrophobicContact CB-CD2 4.15Å
140	S	97.7	Very high	97	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-63.1	-44.5	173.8	177.1	0	0	0	0	111.8	T136 N137 L138 H142 A143 K144 R145 T147	T136-S140 PolarHBondContact O-N 3Å; N137-S140 PolarHBondContact O-N 3.47Å; L138-S140 PolarHBondContact O-N 3.44Å; S140-H142 VanDerWaalsContact C-N 3.35Å; S140-A143 CarbonylContact O-C 3.47Å; S140-A143 PolarHBondContact O-N 2.94Å; S140-K144 PolarHBondContact O-N 3.31Å; S140-R145 CarbonylContact C-O 3.27Å; S140-R145 VanDerWaalsContact C-O 3.27Å; S140-R145 PolarHBondContact O-N 3.42Å; S140-R145 VanDerWaalsContact O-O 3.05Å; S140-R145 VanDerWaalsContact OG-C 3.31Å; S140-R145 PolarHBondContact OG-O 3.24Å; S140-T147 PolarHBondContact OG-O 2.96Å
141	I	97.5	Very high	97	Very high	97 Å²	97	81.2 Å²	81.2	50%	0.497	41%	0.411	S	S	.	.	H	α-helix	trans	-63.3	-42.4	178.4	-68.4	166.5	0	0	0	110.5	N137 L138 A143 K144	N137-I141 VanDerWaalsContact O-CG1 3.32Å; N137-I141 WeakPolarHBondContact O-CG1 3.3Å; N137-I141 PolarHBondContact O-N 3.31Å; L138-I141 PolarHBondContact O-N 3.49Å; I141-A143 PolarHBondContact O-N 3.42Å; I141-K144 WeakPolarHBondContact O-CA 3.49Å; I141-K144 PolarHBondContact O-N 2.73Å
142	H	96.8	Very high	97	Very high	164 Å²	164	80.7 Å²	80.7	76%	0.759	40%	0.404	S	S	*	.	H	α-helix	trans	-56.2	-39	175.1	-178.1	73.9	0	0	0	111.8	L138 A139 S140 K144	L138-H142 WeakPolarHBondContact O-CB 3.5Å; L138-H142 PolarHBondContact O-N 2.88Å; A139-H142 PolarHBondContact O-N 2.92Å; S140-H142 VanDerWaalsContact C-N 3.35Å; H142-K144 PolarHBondContact O-N 3.03Å
143	A	97.2	Very high	97	Very high	47 Å²	47	83.5 Å²	83.5	39%	0.388	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	18	175.4	0	0	0	0	0	114.5	A139 S140 I141 R145	A139-A143 PolarHBondContact O-N 3.17Å; S140-A143 CarbonylContact O-C 3.47Å; S140-A143 PolarHBondContact O-N 2.94Å; I141-A143 PolarHBondContact O-N 3.42Å; A143-R145 VanDerWaalsContact C-N 3.28Å; A143-R145 PolarHBondContact O-N 3.24Å
144	K	97.5	Very high	97	Very high	206 Å²	206	84.3 Å²	84.3	90%	0.896	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	31.9	179.9	-56.6	180	-179	177.4	0	114.4	S140 I141 H142	S140-K144 PolarHBondContact O-N 3.31Å; I141-K144 WeakPolarHBondContact O-CA 3.49Å; I141-K144 PolarHBondContact O-N 2.73Å; H142-K144 PolarHBondContact O-N 3.03Å
145	R	97.5	Very high	97	Very high	48 Å²	48	82.7 Å²	82.7	18%	0.181	42%	0.415	C	S	.	.			trans	-120.2	150.2	178.4	-71.5	174.8	-70.8	109.5	-8.2	111.5	S140 A143 T147 D152	S140-R145 CarbonylContact C-O 3.27Å; S140-R145 VanDerWaalsContact C-O 3.27Å; S140-R145 PolarHBondContact O-N 3.42Å; S140-R145 VanDerWaalsContact O-O 3.05Å; S140-R145 VanDerWaalsContact OG-C 3.31Å; S140-R145 PolarHBondContact OG-O 3.24Å; A143-R145 VanDerWaalsContact C-N 3.28Å; A143-R145 PolarHBondContact O-N 3.24Å; R145-T147 PolarHBondContact NH1-O 2.82Å; R145-D152 IonicContact CZ-OD1 3.5Å; R145-D152 IonicContact CZ-OD2 3.61Å; R145-D152 IonicContact NH1-OD1 3.4Å; R145-D152 PolarHBondContact NH1-OD1 3.28Å; R145-D152 IonicContact NH1-OD2 2.74Å; R145-D152 PolarHBondContact NH1-OD2 3.17Å; R145-D152 IonicContact NH2-OD1 2.68Å; R145-D152 PolarHBondContact NH2-OD1 3.19Å; R145-D152 IonicContact NH2-OD2 3.56Å
146	Q	94.2	Very high	96.9	Very high	190 Å²	190	80.2 Å²	80.2	89%	0.888	40%	0.402	S	S	*	.	S	Bend	trans	-101.7	-10.1	172.8	-63.5	179.4	-3.1	0	0	112.9
147	T	97.1	Very high	96.9	Very high	98 Å²	98	81.2 Å²	81.2	60%	0.601	41%	0.408	S	S	*	.	S	Bend	trans	-103.8	117.2	178.4	-52.5	0	0	0	0	108.9	S140 R145	S140-T147 PolarHBondContact OG-O 2.96Å; R145-T147 PolarHBondContact NH1-O 2.82Å
148	I	96.9	Very high	96.8	Very high	71 Å²	71	85.8 Å²	85.8	36%	0.364	42%	0.419	S	S	.	.			trans	-63.3	143.9	172.5	59.2	173.7	0	0	0	110.9	M133 T136	M133-I148 HydrophobicContact CE-CD1 3.28Å; M133-I148 HydrophobicContact SD-CD1 4.22Å; T136-I148 HydrophobicContact CG2-CB 4.01Å; T136-I148 HydrophobicContact CG2-CG2 4.01Å
149	M	97.9	Very high	96.7	Very high	63 Å²	63	87.3 Å²	87.3	31%	0.31	43%	0.427	S	S	.	.			trans	-132.1	158.5	179.2	-62.5	-170.9	-176.2	0	0	110.5	R151 D152 M153	M149-R151 HydrophobicContact CB-CG 4.01Å; M149-R151 PolarHBondContact O-N 3.25Å; M149-R151 VanDerWaalsContact O-N 3.11Å; M149-R151 PolarHBondContact SD-NH1 3.42Å; M149-R151 PolarHBondContact SD-NH2 2.82Å; M149-D152 PolarHBondContact N-OD2 3.27Å; M149-D152 WeakPolarHBondContact O-CB 3.45Å; M149-D152 PolarHBondContact O-N 2.91Å; M149-M153 PolarHBondContact O-N 3.11Å
150	P	97.2	Very high	96.6	Very high	93 Å²	93	90.5 Å²	90.5	60%	0.604	44%	0.436	S	S	*	.	H	α-helix	trans	-53.2	-36.5	178.3	-28.7	35.9	0	0	0	113.4	D152 M153 H154	P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 2.96Å; P150-M153 WeakPolarHBondContact O-CB 3.32Å; P150-M153 PolarHBondContact O-N 3.44Å; P150-H154 PolarHBondContact O-N 3Å; P150-H154 PolarHBondContact O-ND1 3.28Å
151	R	96.5	Very high	96.4	Very high	142 Å²	142	93.4 Å²	93.4	54%	0.536	47%	0.467	S	S	.	.	H	α-helix	trans	-59.9	-32.7	176	64.5	177.9	179.7	-119.6	7.3	113.9	M149 M153 L155	M149-R151 HydrophobicContact CB-CG 4.01Å; M149-R151 PolarHBondContact O-N 3.25Å; M149-R151 VanDerWaalsContact O-N 3.11Å; M149-R151 PolarHBondContact SD-NH1 3.42Å; M149-R151 PolarHBondContact SD-NH2 2.82Å; R151-M153 VanDerWaalsContact C-N 3.34Å; R151-L155 WeakPolarHBondContact O-CB 3.42Å; R151-L155 PolarHBondContact O-N 2.92Å
152	D	97.6	Very high	96	Very high	5 Å²	5	93.3 Å²	93.3	3%	0.027	46%	0.464	C	S	.	.	H	α-helix	trans	-71	-38.4	179.2	-54.3	-38.2	0	0	0	109.7	T136 A139 R145 M149 P150 L155 A156	T136-D152 HydrophobicContact CG2-CB 3.75Å; A139-D152 HydrophobicContact CB-CB 4.02Å; R145-D152 IonicContact CZ-OD1 3.5Å; R145-D152 IonicContact CZ-OD2 3.61Å; R145-D152 IonicContact NH1-OD1 3.4Å; R145-D152 PolarHBondContact NH1-OD1 3.28Å; R145-D152 IonicContact NH1-OD2 2.74Å; R145-D152 PolarHBondContact NH1-OD2 3.17Å; R145-D152 IonicContact NH2-OD1 2.68Å; R145-D152 PolarHBondContact NH2-OD1 3.19Å; R145-D152 IonicContact NH2-OD2 3.56Å; M149-D152 PolarHBondContact N-OD2 3.27Å; M149-D152 WeakPolarHBondContact O-CB 3.45Å; M149-D152 PolarHBondContact O-N 2.91Å; P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 2.96Å; D152-L155 PolarHBondContact O-N 3.39Å; D152-A156 WeakPolarHBondContact O-CB 3.46Å; D152-A156 PolarHBondContact O-N 3.29Å
153	M	96.4	Very high	95.1	Very high	70 Å²	70	91.1 Å²	91.1	35%	0.345	46%	0.457	S	S	.	.	H	α-helix	trans	-68.5	-41.6	175.8	-173.2	179.8	67	0	0	111.5	L132 T136 M149 P150 R151 L155 A156 L157	L132-M153 HydrophobicContact CD1-CG 4.36Å; L132-M153 HydrophobicContact CD2-CG 4.1Å; L132-M153 HydrophobicContact CD2-SD 4.29Å; L132-M153 HydrophobicContact CG-CG 4.31Å; T136-M153 HydrophobicContact CG2-CB 4.1Å; M149-M153 PolarHBondContact O-N 3.11Å; P150-M153 WeakPolarHBondContact O-CB 3.32Å; P150-M153 PolarHBondContact O-N 3.44Å; R151-M153 VanDerWaalsContact C-N 3.34Å; M153-L155 VanDerWaalsContact C-N 3.34Å; M153-L155 PolarHBondContact O-N 2.74Å; M153-A156 PolarHBondContact O-N 2.68Å; M153-L157 HydrophobicContact CG-CD1 4.28Å; M153-L157 WeakPolarHBondContact O-CB 3.46Å; M153-L157 VanDerWaalsContact O-CG 3.3Å; M153-L157 WeakPolarHBondContact O-CG 3.28Å; M153-L157 PolarHBondContact O-N 3.4Å
154	H	96.3	Very high	95	Very high	106 Å²	106	93.3 Å²	93.3	49%	0.491	46%	0.46	S	S	.	.	H	α-helix	trans	-62.2	-41.8	174	-72.1	86.7	0	0	0	111.6	P150 L157 R158	P150-H154 PolarHBondContact O-N 3Å; P150-H154 PolarHBondContact O-ND1 3.28Å; H154-L157 PolarHBondContact O-N 3.45Å; H154-R158 VanDerWaalsContact O-CB 3.28Å; H154-R158 WeakPolarHBondContact O-CB 3.34Å; H154-R158 PolarHBondContact O-N 2.72Å
155	L	95.8	Very high	94.8	Very high	82 Å²	82	87.4 Å²	87.4	43%	0.429	44%	0.438	S	S	.	.	H	α-helix	trans	-61.2	-46.6	174.8	178.7	62.7	0	0	0	111.3	A139 R151 D152 M153 R158 L159	A139-L155 HydrophobicContact CB-CD2 4.15Å; R151-L155 WeakPolarHBondContact O-CB 3.42Å; R151-L155 PolarHBondContact O-N 2.92Å; D152-L155 PolarHBondContact O-N 3.39Å; M153-L155 VanDerWaalsContact C-N 3.34Å; M153-L155 PolarHBondContact O-N 2.74Å; L155-R158 PolarHBondContact O-N 3.16Å; L155-L159 HydrophobicContact CD1-CD1 4.19Å; L155-L159 HydrophobicContact CD1-CG 4.25Å; L155-L159 HydrophobicContact CG-CD1 4.14Å; L155-L159 WeakPolarHBondContact O-CG 3.47Å; L155-L159 PolarHBondContact O-N 2.83Å
156	A	96	Very high	94.7	Very high	5 Å²	5	89.6 Å²	89.6	4%	0.041	45%	0.452	C	S	.	.	H	α-helix	trans	-59.2	-47.9	177.4	0	0	0	0	0	112	L132 D135 D152 M153 R158 L159 R160	L132-A156 HydrophobicContact CD1-CB 4.1Å; D135-A156 HydrophobicContact CB-CB 3.8Å; D152-A156 WeakPolarHBondContact O-CB 3.46Å; D152-A156 PolarHBondContact O-N 3.29Å; M153-A156 PolarHBondContact O-N 2.68Å; A156-R158 VanDerWaalsContact C-N 3.32Å; A156-R158 PolarHBondContact O-N 2.71Å; A156-L159 PolarHBondContact O-N 2.7Å; A156-R160 WeakPolarHBondContact O-CG 3.42Å; A156-R160 PolarHBondContact O-N 2.77Å
157	L	96.8	Very high	94.7	Very high	24 Å²	24	83.6 Å²	83.6	13%	0.126	43%	0.426	C	S	.	.	H	α-helix	trans	-62.2	-38.6	177	-71.3	171.3	0	0	0	112.5	L132 M153 H154 R160 G161 E162 L163	L132-L157 HydrophobicContact CD1-CD2 3.64Å; L132-L157 HydrophobicContact CD1-CG 3.84Å; L132-L157 HydrophobicContact CD2-CD2 4.06Å; L132-L157 HydrophobicContact CD2-CG 4.5Å; M153-L157 HydrophobicContact CG-CD1 4.28Å; M153-L157 WeakPolarHBondContact O-CB 3.46Å; M153-L157 VanDerWaalsContact O-CG 3.3Å; M153-L157 WeakPolarHBondContact O-CG 3.28Å; M153-L157 PolarHBondContact O-N 3.4Å; H154-L157 PolarHBondContact O-N 3.45Å; L157-R160 PolarHBondContact O-N 2.67Å; L157-G161 PolarHBondContact O-N 2.92Å; L157-E162 HydrophobicContact CD2-CB 4.29Å; L157-E162 WeakPolarHBondContact CD2-OE2 3.48Å; L157-E162 PolarHBondContact O-N 3Å; L157-E162 VanDerWaalsContact O-N 3.12Å; L157-L163 HydrophobicContact CB-CD1 3.44Å; L157-L163 VanDerWaalsContact CB-CD1 3.44Å; L157-L163 HydrophobicContact CB-CG 3.77Å; L157-L163 HydrophobicContact CD1-CD1 3.96Å; L157-L163 HydrophobicContact CD1-CG 4.35Å; L157-L163 HydrophobicContact CG-CD1 4.35Å
158	R	96.1	Very high	94.6	Very high	166 Å²	166	82.8 Å²	82.8	63%	0.626	42%	0.415	S	S	*	.	H	α-helix	trans	-65.7	-41	176.7	-175.6	59.5	174.1	179.4	-0.1	112	H154 L155 A156 R160 G161 L163	H154-R158 VanDerWaalsContact O-CB 3.28Å; H154-R158 WeakPolarHBondContact O-CB 3.34Å; H154-R158 PolarHBondContact O-N 2.72Å; L155-R158 PolarHBondContact O-N 3.16Å; A156-R158 VanDerWaalsContact C-N 3.32Å; A156-R158 PolarHBondContact O-N 2.71Å; R158-R160 VanDerWaalsContact C-N 3.31Å; R158-G161 PolarHBondContact O-N 2.79Å; R158-L163 WeakPolarHBondContact CD-OXT 3.46Å; R158-L163 PolarHBondContact NH1-OXT 3.26Å
159	L	94.6	Very high	94.4	Very high	141 Å²	141	83.5 Å²	83.5	74%	0.738	42%	0.419	S	S	*	.	H	α-helix	trans	-69.6	-29.5	176.8	-69.4	174.5	0	0	0	112.5	L155 A156 G161	L155-L159 HydrophobicContact CD1-CD1 4.19Å; L155-L159 HydrophobicContact CD1-CG 4.25Å; L155-L159 HydrophobicContact CG-CD1 4.14Å; L155-L159 WeakPolarHBondContact O-CG 3.47Å; L155-L159 PolarHBondContact O-N 2.83Å; A156-L159 PolarHBondContact O-N 2.7Å; L159-G161 VanDerWaalsContact C-N 3.32Å
160	R	94.5	Very high	94.2	Very high	82 Å²	82	85 Å²	85	31%	0.309	43%	0.426	S	S	.	.	H	α-helix	trans	-73.4	-20.4	172.9	-73.7	177.5	176.1	-153.5	-8.6	114.1	G131 D135 A156 L157 R158 E162	G131-R160 PolarHBondContact O-NH2 2.77Å; D135-R160 VanDerWaalsContact CG-NH2 3.34Å; D135-R160 IonicContact OD1-NH2 2.7Å; D135-R160 IonicContact OD2-CZ 3.13Å; D135-R160 IonicContact OD2-NE 2.73Å; D135-R160 PolarHBondContact OD2-NE 3.17Å; D135-R160 IonicContact OD2-NH2 3.4Å; D135-R160 PolarHBondContact OD2-NH2 2.72Å; A156-R160 WeakPolarHBondContact O-CG 3.42Å; A156-R160 PolarHBondContact O-N 2.77Å; L157-R160 PolarHBondContact O-N 2.67Å; R158-R160 VanDerWaalsContact C-N 3.31Å; R160-E162 HydrophobicContact CB-CG 4.08Å
161	G	93.8	Very high	93.9	Very high	62 Å²	62	84.4 Å²	84.4	64%	0.639	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	23.2	-174.5	0	0	0	0	0	114.2	L157 R158 L159	L157-G161 PolarHBondContact O-N 2.92Å; R158-G161 PolarHBondContact O-N 2.79Å; L159-G161 VanDerWaalsContact C-N 3.32Å
162	E	88.6	Confident	93.7	Very high	94 Å²	94	79.6 Å²	79.6	44%	0.439	40%	0.402	S	S	.	.			trans	-93.7	-6.7	178.5	-64.2	175.5	-168.4	0	0	113.1	Y128 L157 R160	Y128-E162 WeakPolarHBondContact CE2-OE1 3.44Å; Y128-E162 WeakPolarHBondContact CE2-OE2 3.34Å; Y128-E162 PolarHBondContact OH-OE2 3.13Å; L157-E162 HydrophobicContact CD2-CB 4.29Å; L157-E162 WeakPolarHBondContact CD2-OE2 3.48Å; L157-E162 PolarHBondContact O-N 3Å; L157-E162 VanDerWaalsContact O-N 3.12Å; R160-E162 HydrophobicContact CB-CG 4.08Å
163	L	78.2	Confident	93.4	Very high	118 Å²	118	86.4 Å²	86.4	62%	0.618	44%	0.437	S	S	*	.			trans	-125.9	0	175.6	-71.2	175.3	0	0	0	110.8	L157 R158	L157-L163 HydrophobicContact CB-CD1 3.44Å; L157-L163 VanDerWaalsContact CB-CD1 3.44Å; L157-L163 HydrophobicContact CB-CG 3.77Å; L157-L163 HydrophobicContact CD1-CD1 3.96Å; L157-L163 HydrophobicContact CD1-CG 4.35Å; L157-L163 HydrophobicContact CG-CD1 4.35Å; R158-L163 WeakPolarHBondContact CD-OXT 3.46Å; R158-L163 PolarHBondContact NH1-OXT 3.26Å

Retrieved 163 of 163 residues in 149.9 ms (Link to these results)

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