A0A077ZKU3_TRITR Loading...

Histone H3

AlphaFold DB , UniProt , Accession A0A077ZKU3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 205 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	47.3	Very low	43.9	Very low	245 Å²	245	158.9 Å²	158.9	100%	1.207	86%	0.863	S	S	*	*				0	127.2	0	-71.5	-154.3	173.4	0	0	107.5
2	C	38.1	Very low	44	Very low	102 Å²	102	157 Å²	157	69%	0.689	86%	0.861	S	S	*	*			trans	-21.3	139	-170.3	-47.7	0	0	0	0	118
3	Y	50.7	Low	43.8	Very low	233 Å²	233	155.3 Å²	155.3	91%	0.914	87%	0.865	S	S	*	*				-171.8	111.6	97.5	-78.5	-67.6	0	0	0	110.1
4	D	43.2	Very low	43.2	Very low	155 Å²	155	155.6 Å²	155.6	83%	0.829	86%	0.864	S	S	*	*			trans	-80.4	147.8	159.9	-67.4	-70.9	0	0	0	110.3
5	V	54.6	Low	43.2	Very low	131 Å²	131	159.6 Å²	159.6	79%	0.794	87%	0.869	S	S	*	*			trans	-162.6	98.7	148.3	-178.5	0	0	0	0	107.6
6	E	43	Very low	43.2	Very low	171 Å²	171	156.7 Å²	156.7	80%	0.799	86%	0.864	S	S	*	*				56.7	102.5	102	-67.8	-178	157.4	0	0	115
7	S	37.4	Very low	43	Very low	111 Å²	111	154.2 Å²	154.2	78%	0.776	86%	0.86	S	S	*	*				66.5	109.1	83.6	82.5	0	0	0	0	114.4
8	C	38.8	Very low	43.4	Very low	140 Å²	140	152.2 Å²	152.2	95%	0.946	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-103.9	122.8	172.1	-98.9	0	0	0	0	109.3
9	T	43.3	Very low	43.2	Very low	131 Å²	131	153.9 Å²	153.9	80%	0.804	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-100.3	139	167.4	45.2	0	0	0	0	110.5
10	E	39	Very low	43.5	Very low	193 Å²	193	153.7 Å²	153.7	90%	0.902	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-66.3	135.1	174.7	-70.3	171.4	138	0	0	111.3
11	T	48	Very low	43.9	Very low	136 Å²	136	151.3 Å²	151.3	83%	0.834	84%	0.843	S	S	*	*			trans	-136.6	124.4	154.9	46.3	0	0	0	0	110
12	T	44.9	Very low	44.3	Very low	136 Å²	136	144.7 Å²	144.7	83%	0.834	82%	0.818	S	S	*	*			trans	-71.7	144.8	168.9	48.6	0	0	0	0	109.5
13	C	40.9	Very low	45.1	Very low	135 Å²	135	148.4 Å²	148.4	91%	0.912	83%	0.83	S	S	*	*			trans	-158	137	155.8	-120.1	0	0	0	0	113.1
14	D	36.1	Very low	45.5	Very low	160 Å²	160	142.3 Å²	142.3	86%	0.856	82%	0.817	S	S	*	*			trans	-60.8	151.6	-172.6	-77.5	-59.3	0	0	0	116.3	S16	D14-S16 PolarHBondContact O-N 2.94Å
15	K	42.6	Very low	46.4	Very low	215 Å²	215	138 Å²	138	94%	0.935	81%	0.809	S	S	*	*			trans	-73.6	119.7	179.5	-65.4	170.3	-179.9	164.4	0	110.7
16	S	42.9	Very low	46.8	Very low	113 Å²	113	136.3 Å²	136.3	79%	0.79	81%	0.809	S	S	*	*			trans	-127.2	131.8	157.1	60.7	0	0	0	0	110.5	D14 T18	D14-S16 PolarHBondContact O-N 2.94Å; S16-T18 PolarHBondContact O-N 3.17Å
17	S	40.8	Very low	47.9	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	81%	0.808	S	S	*	*			trans	-75.6	113.8	-173.6	142.4	0	0	0	0	110.8
18	T	49.3	Very low	49.7	Very low	119 Å²	119	138.1 Å²	138.1	73%	0.73	81%	0.811	S	S	*	*			trans	-137.8	114.1	158.5	-55.8	0	0	0	0	108.6	S16 I20	S16-T18 PolarHBondContact O-N 3.17Å; T18-I20 PolarHBondContact O-N 3.11Å; T18-I20 VanDerWaalsContact O-N 3.16Å
19	Q	40.6	Very low	51.6	Low	185 Å²	185	141 Å²	141	86%	0.864	81%	0.807	S	S	*	*			trans	-65.4	108.5	178.7	-66	179.5	16.1	0	0	110.1
20	I	47.9	Very low	53.4	Low	149 Å²	149	139.3 Å²	139.3	76%	0.764	81%	0.806	S	S	*	*			trans	-114.5	100.2	161.8	-57.3	177.8	0	0	0	105.8	T18 P22	T18-I20 PolarHBondContact O-N 3.11Å; T18-I20 VanDerWaalsContact O-N 3.16Å; I20-P22 WeakPolarHBondContact O-CD 3.46Å
21	S	53.4	Low	55.5	Low	104 Å²	104	141.6 Å²	141.6	73%	0.727	81%	0.807	S	S	*	*			trans	-57.8	120.9	176.1	-58.6	0	0	0	0	109.7	L23	S21-L23 PolarHBondContact O-N 3.25Å
22	P	55.9	Low	57.3	Low	106 Å²	106	145.7 Å²	145.7	69%	0.688	81%	0.807	S	S	*	*			trans	-73.3	114.8	172.7	28.2	-27.4	0	0	0	107.5	I20 V24	I20-P22 WeakPolarHBondContact O-CD 3.46Å; P22-V24 HydrophobicContact CB-CB 4.34Å; P22-V24 HydrophobicContact CB-CG2 3.71Å; P22-V24 PolarHBondContact O-N 3.3Å
23	L	54.2	Low	59.3	Low	180 Å²	180	146.3 Å²	146.3	94%	0.942	80%	0.795	S	S	*	*			trans	-68.5	62.7	162.3	-171.7	76.3	0	0	0	108.5	S21	S21-L23 PolarHBondContact O-N 3.25Å
24	V	59.1	Low	61.5	Low	104 Å²	104	150.2 Å²	150.2	63%	0.63	79%	0.79	S	S	*	*			trans	-99.3	90.8	176.5	172.8	0	0	0	0	105.8	P22 A26 V27	P22-V24 HydrophobicContact CB-CB 4.34Å; P22-V24 HydrophobicContact CB-CG2 3.71Å; P22-V24 PolarHBondContact O-N 3.3Å; V24-A26 PolarHBondContact O-N 3.31Å; V24-V27 HydrophobicContact CG1-CG2 4.45Å
25	G	60.9	Low	64.1	Low	64 Å²	64	150.9 Å²	150.9	66%	0.66	79%	0.793	S	S	*	*			trans	-51.7	133.4	166.9	0	0	0	0	0	108.9	V27	G25-V27 PolarHBondContact O-N 3.02Å
26	A	63.8	Low	66.4	Low	97 Å²	97	142.8 Å²	142.8	80%	0.802	77%	0.771	S	S	*	*			trans	-43.7	109.6	-176.7	0	0	0	0	0	111	V24 K28	V24-A26 PolarHBondContact O-N 3.31Å; A26-K28 PolarHBondContact O-N 3.48Å
27	V	67.2	Low	68.9	Low	128 Å²	128	140 Å²	140	78%	0.776	75%	0.749	S	S	*	*			trans	-61	104.6	174.9	178.3	0	0	0	0	106.3	V24 G25 K29	V24-V27 HydrophobicContact CG1-CG2 4.45Å; G25-V27 PolarHBondContact O-N 3.02Å; V27-K29 PolarHBondContact O-N 3.46Å; V27-K29 VanDerWaalsContact O-N 3.17Å
28	K	74	Confident	71.4	Confident	192 Å²	192	136.5 Å²	136.5	84%	0.835	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-53.9	125.7	176.2	-70.5	-178.8	-179.3	177	0	107.6	A26 A30	A26-K28 PolarHBondContact O-N 3.48Å; K28-A30 PolarHBondContact O-N 2.98Å; K28-A30 VanDerWaalsContact O-N 3.15Å
29	K	79.4	Confident	73.5	Confident	201 Å²	201	133.2 Å²	133.2	87%	0.874	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-46.8	123.2	178.2	-175.3	175.5	-176.7	174.2	0	109.5	V27 R31	V27-K29 PolarHBondContact O-N 3.46Å; V27-K29 VanDerWaalsContact O-N 3.17Å; K29-R31 PolarHBondContact O-N 3.11Å; K29-R31 VanDerWaalsContact O-N 3.14Å
30	A	80.1	Confident	76	Confident	94 Å²	94	129.4 Å²	129.4	78%	0.777	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-54.8	122	179.9	0	0	0	0	0	109.8	K28 R32	K28-A30 PolarHBondContact O-N 2.98Å; K28-A30 VanDerWaalsContact O-N 3.15Å; A30-R32 PolarHBondContact O-N 2.97Å
31	R	83.1	Confident	78.2	Confident	241 Å²	241	126.2 Å²	126.2	91%	0.909	68%	0.681	S	S	*	*			trans	-72.2	111.5	-178.8	-175.5	-179.3	179.6	-171.8	0.8	109	K29	K29-R31 PolarHBondContact O-N 3.11Å; K29-R31 VanDerWaalsContact O-N 3.14Å
32	R	85.6	Confident	80.2	Confident	223 Å²	223	126.5 Å²	126.5	84%	0.842	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-80	134.7	171.7	-165.1	174.8	-179.3	174.9	0.6	109.8	A30	A30-R32 PolarHBondContact O-N 2.97Å
33	Y	87.3	Confident	81.9	Confident	149 Å²	149	124.7 Å²	124.7	58%	0.584	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-61.8	145.5	169.6	-73.6	-67.9	0	0	0	110.6	T37 L41	Y33-T37 HydrophobicContact CD1-CG2 3.72Å; Y33-T37 HydrophobicContact CE1-CG2 4.36Å; Y33-T37 HydrophobicContact CG-CG2 4.45Å; Y33-L41 HydrophobicContact CE1-CD1 4.13Å
34	R	88.4	Confident	83.8	Confident	216 Å²	216	123.5 Å²	123.5	82%	0.815	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-63.7	150.3	167.9	-68.4	-174.7	177.5	-173.8	-0.4	108.8	G36 T37	R34-G36 PolarHBondContact O-N 3.11Å; R34-T37 WeakPolarHBondContact O-CB 3.39Å; R34-T37 PolarHBondContact O-N 3.42Å; R34-T37 PolarHBondContact O-OG1 3.19Å
35	L	90.2	Very high	85.4	Confident	174 Å²	174	124.7 Å²	124.7	91%	0.911	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	137	175.2	-67	169.1	0	0	0	109.6	T37	L35-T37 VanDerWaalsContact C-N 3.28Å; L35-T37 PolarHBondContact O-N 3.43Å
36	G	91.5	Very high	86.9	Confident	45 Å²	45	126.7 Å²	126.7	46%	0.464	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	83.9	-26.9	-175	0	0	0	0	0	115.4	R34 A38 A39 L40	R34-G36 PolarHBondContact O-N 3.11Å; G36-A38 PolarHBondContact O-N 3.37Å; G36-A39 PolarHBondContact O-N 3.1Å; G36-L40 WeakPolarHBondContact O-CG 3.48Å; G36-L40 PolarHBondContact O-N 2.98Å
37	T	94.5	Very high	88.2	Confident	56 Å²	56	129.2 Å²	129.2	34%	0.344	62%	0.618	S	S	.	*	H	α-helix	trans	-64.1	-44.6	-179.4	-53.4	0	0	0	0	112.1	Y33 R34 L35 L40 L41	Y33-T37 HydrophobicContact CD1-CG2 3.72Å; Y33-T37 HydrophobicContact CE1-CG2 4.36Å; Y33-T37 HydrophobicContact CG-CG2 4.45Å; R34-T37 WeakPolarHBondContact O-CB 3.39Å; R34-T37 PolarHBondContact O-N 3.42Å; R34-T37 PolarHBondContact O-OG1 3.19Å; L35-T37 VanDerWaalsContact C-N 3.28Å; L35-T37 PolarHBondContact O-N 3.43Å; T37-L40 PolarHBondContact O-N 3.41Å; T37-L41 HydrophobicContact CG2-CD1 4.37Å; T37-L41 WeakPolarHBondContact O-CG 3.5Å; T37-L41 PolarHBondContact O-N 3.48Å; T37-L41 VanDerWaalsContact O-N 3.14Å
38	A	92.8	Very high	89.5	Confident	39 Å²	39	132 Å²	132	32%	0.322	62%	0.619	S	S	.	*	H	α-helix	trans	-63	-45.1	177.5	0	0	0	0	0	111.7	G36 L40 L41 E42	G36-A38 PolarHBondContact O-N 3.37Å; A38-L40 PolarHBondContact O-N 3.01Å; A38-L41 WeakPolarHBondContact O-CB 3.37Å; A38-L41 PolarHBondContact O-N 3.08Å; A38-L41 VanDerWaalsContact O-N 3.13Å; A38-E42 WeakPolarHBondContact O-CG 3.31Å; A38-E42 PolarHBondContact O-N 2.76Å
39	A	93.2	Very high	90.1	Very high	50 Å²	50	129.9 Å²	129.9	41%	0.413	61%	0.606	S	S	.	*	H	α-helix	trans	-59.1	-44.3	177.9	0	0	0	0	0	112.2	G36 L41 E42 T43	G36-A39 PolarHBondContact O-N 3.1Å; A39-L41 VanDerWaalsContact C-N 3.32Å; A39-L41 PolarHBondContact O-N 3.43Å; A39-E42 PolarHBondContact O-N 3.5Å; A39-T43 PolarHBondContact O-N 3.15Å; A39-T43 PolarHBondContact O-OG1 2.97Å
40	L	94.4	Very high	90.1	Very high	105 Å²	105	124.8 Å²	124.8	55%	0.55	60%	0.601	S	S	.	*	H	α-helix	trans	-64	-36	176.5	-71.8	173.8	0	0	0	112.9	G36 T37 A38 R44	G36-L40 WeakPolarHBondContact O-CG 3.48Å; G36-L40 PolarHBondContact O-N 2.98Å; T37-L40 PolarHBondContact O-N 3.41Å; A38-L40 PolarHBondContact O-N 3.01Å; L40-R44 WeakPolarHBondContact O-CB 3.48Å; L40-R44 VanDerWaalsContact O-CG 3.27Å; L40-R44 WeakPolarHBondContact O-CG 3.35Å; L40-R44 PolarHBondContact O-N 3.17Å; L40-R44 VanDerWaalsContact O-N 3.1Å
41	L	94.5	Very high	90.3	Very high	83 Å²	83	123.2 Å²	123.2	44%	0.435	58%	0.578	S	S	.	*	H	α-helix	trans	-67.3	-41.5	175.3	-70.3	172.5	0	0	0	111.2	Y33 T37 A38 A39 R44 R45	Y33-L41 HydrophobicContact CE1-CD1 4.13Å; T37-L41 HydrophobicContact CG2-CD1 4.37Å; T37-L41 WeakPolarHBondContact O-CG 3.5Å; T37-L41 PolarHBondContact O-N 3.48Å; T37-L41 VanDerWaalsContact O-N 3.14Å; A38-L41 WeakPolarHBondContact O-CB 3.37Å; A38-L41 PolarHBondContact O-N 3.08Å; A38-L41 VanDerWaalsContact O-N 3.13Å; A39-L41 VanDerWaalsContact C-N 3.32Å; A39-L41 PolarHBondContact O-N 3.43Å; L41-R44 PolarHBondContact O-N 3.11Å; L41-R45 WeakPolarHBondContact O-CB 3.27Å; L41-R45 PolarHBondContact O-N 3.45Å
42	E	93.3	Very high	90.3	Very high	109 Å²	109	114.4 Å²	114.4	51%	0.509	55%	0.548	S	S	.	.	H	α-helix	trans	-63.1	-48.8	175.1	-73.5	170.3	-170	0	0	111.4	A38 A39 R44 R45 Y46	A38-E42 WeakPolarHBondContact O-CG 3.31Å; A38-E42 PolarHBondContact O-N 2.76Å; A39-E42 PolarHBondContact O-N 3.5Å; E42-R44 VanDerWaalsContact C-N 3.33Å; E42-R44 PolarHBondContact O-N 3.15Å; E42-R45 WeakPolarHBondContact O-CB 3.31Å; E42-R45 PolarHBondContact O-N 3.46Å; E42-Y46 HydrophobicContact CB-CD2 4.34Å; E42-Y46 HydrophobicContact CB-CE2 4.15Å; E42-Y46 WeakPolarHBondContact O-CD2 3.02Å; E42-Y46 PolarHBondContact O-N 3.01Å
43	T	92.1	Very high	90.4	Very high	68 Å²	68	108.3 Å²	108.3	42%	0.417	54%	0.536	S	S	.	.	H	α-helix	trans	-55.1	-48.3	176.3	-56	0	0	0	0	111.3	A39 R45 Y46 Q47	A39-T43 PolarHBondContact O-N 3.15Å; A39-T43 PolarHBondContact O-OG1 2.97Å; T43-R45 VanDerWaalsContact C-N 3.31Å; T43-R45 PolarHBondContact O-N 3.39Å; T43-Y46 PolarHBondContact O-N 3.37Å; T43-Q47 HydrophobicContact CG2-CG 4.36Å; T43-Q47 WeakPolarHBondContact O-CB 3.4Å; T43-Q47 VanDerWaalsContact O-CG 3.27Å; T43-Q47 WeakPolarHBondContact O-CG 3.33Å; T43-Q47 PolarHBondContact O-N 3.2Å
44	R	94	Very high	90.6	Very high	156 Å²	156	104 Å²	104	59%	0.589	52%	0.522	S	S	*	.	H	α-helix	trans	-64.3	-34.9	177.9	-72.2	172.6	-179.4	-177.3	0.5	112.7	L40 L41 E42 K48	L40-R44 WeakPolarHBondContact O-CB 3.48Å; L40-R44 VanDerWaalsContact O-CG 3.27Å; L40-R44 WeakPolarHBondContact O-CG 3.35Å; L40-R44 PolarHBondContact O-N 3.17Å; L40-R44 VanDerWaalsContact O-N 3.1Å; L41-R44 PolarHBondContact O-N 3.11Å; E42-R44 VanDerWaalsContact C-N 3.33Å; E42-R44 PolarHBondContact O-N 3.15Å; R44-K48 WeakPolarHBondContact O-CB 3.43Å; R44-K48 VanDerWaalsContact O-CG 3.28Å; R44-K48 WeakPolarHBondContact O-CG 3.45Å; R44-K48 PolarHBondContact O-N 3.43Å
45	R	93.5	Very high	90.8	Very high	129 Å²	129	103.7 Å²	103.7	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-66	-48.5	176.3	176.3	-175	163.6	-178.7	-4	110.8	L41 E42 T43 K48 R49 E51	L41-R45 WeakPolarHBondContact O-CB 3.27Å; L41-R45 PolarHBondContact O-N 3.45Å; E42-R45 WeakPolarHBondContact O-CB 3.31Å; E42-R45 PolarHBondContact O-N 3.46Å; T43-R45 VanDerWaalsContact C-N 3.31Å; T43-R45 PolarHBondContact O-N 3.39Å; R45-K48 PolarHBondContact O-N 3.08Å; R45-R49 PolarHBondContact O-N 3.22Å; R45-E51 IonicContact NH2-OE1 3.63Å
46	Y	92.4	Very high	90.8	Very high	106 Å²	106	103.3 Å²	103.3	42%	0.416	51%	0.507	S	S	.	.	H	α-helix	trans	-71.1	-31.5	-178.8	-68.6	-57.4	0	0	0	112.8	E42 T43 E51	E42-Y46 HydrophobicContact CB-CD2 4.34Å; E42-Y46 HydrophobicContact CB-CE2 4.15Å; E42-Y46 WeakPolarHBondContact O-CD2 3.02Å; E42-Y46 PolarHBondContact O-N 3.01Å; T43-Y46 PolarHBondContact O-N 3.37Å; Y46-E51 WeakPolarHBondContact CE1-OE1 3.5Å
47	Q	91.7	Very high	90.9	Very high	150 Å²	150	105.7 Å²	105.7	70%	0.701	51%	0.509	S	S	*	.	H	α-helix	trans	-69.9	-31.9	173.4	-74.6	174.9	-20.9	0	0	112.9	T43	T43-Q47 HydrophobicContact CG2-CG 4.36Å; T43-Q47 WeakPolarHBondContact O-CB 3.4Å; T43-Q47 VanDerWaalsContact O-CG 3.27Å; T43-Q47 WeakPolarHBondContact O-CG 3.33Å; T43-Q47 PolarHBondContact O-N 3.2Å
48	K	93.1	Very high	91	Very high	186 Å²	186	106.7 Å²	106.7	81%	0.809	52%	0.516	S	S	*	.	H	α-helix	trans	-76.3	-23.6	177.7	-77.3	-180	179.7	-170.9	0	113.8	R44 R45	R44-K48 WeakPolarHBondContact O-CB 3.43Å; R44-K48 VanDerWaalsContact O-CG 3.28Å; R44-K48 WeakPolarHBondContact O-CG 3.45Å; R44-K48 PolarHBondContact O-N 3.43Å; R45-K48 PolarHBondContact O-N 3.08Å
49	R	86.5	Confident	91.2	Very high	148 Å²	148	105.6 Å²	105.6	56%	0.558	50%	0.504	S	S	*	.			trans	-120.4	123.3	-173.8	-66.5	-175.8	178.5	-166.1	-1.3	109.9	R45 E51	R45-R49 PolarHBondContact O-N 3.22Å; R49-E51 HydrophobicContact CB-CG 4.33Å; R49-E51 IonicContact NH1-OE2 2.94Å; R49-E51 PolarHBondContact O-N 2.99Å
50	A	80.5	Confident	91.2	Very high	93 Å²	93	106.4 Å²	106.4	77%	0.769	50%	0.499	S	S	*	.			trans	-77.4	45.8	170.2	0	0	0	0	0	112.2
51	E	84.7	Confident	91.3	Very high	62 Å²	62	109.5 Å²	109.5	29%	0.29	50%	0.504	S	S	.	.			trans	-77.2	147.8	178.7	66.1	-172	-166.6	0	0	111.5	R45 Y46 R49 V53 K89	R45-E51 IonicContact NH2-OE1 3.63Å; Y46-E51 WeakPolarHBondContact CE1-OE1 3.5Å; R49-E51 HydrophobicContact CB-CG 4.33Å; R49-E51 IonicContact NH1-OE2 2.94Å; R49-E51 PolarHBondContact O-N 2.99Å; E51-V53 PolarHBondContact O-N 3.46Å; E51-K89 WeakPolarHBondContact O-CE 3.28Å; E51-K89 PolarHBondContact O-NZ 2.82Å; E51-K89 VanDerWaalsContact O-NZ 3.1Å
52	L	83.3	Confident	91.3	Very high	55 Å²	55	109.9 Å²	109.9	29%	0.288	51%	0.506	S	S	.	.			trans	-71.3	114.2	170.8	-74.8	170.4	0	0	0	108.4	L82 Q85 E86 K89	L52-L82 HydrophobicContact CD1-CD2 3.89Å; L52-Q85 HydrophobicContact CD2-CB 4.32Å; L52-Q85 HydrophobicContact CD2-CG 3.91Å; L52-E86 WeakPolarHBondContact CD2-OE2 3.33Å; L52-K89 HydrophobicContact CD2-CD 4.48Å
53	V	87.5	Confident	91.4	Very high	96 Å²	96	105.5 Å²	105.5	58%	0.582	49%	0.486	S	S	*	.			trans	-74.9	-32.8	-176.4	-177.1	0	0	0	0	111.7	E51	E51-V53 PolarHBondContact O-N 3.46Å
54	M	90.4	Very high	91.5	Very high	58 Å²	58	107 Å²	107	29%	0.286	48%	0.484	S	S	.	.	S	Bend	trans	-82.5	139.3	179.8	-65.1	-179.6	-79.8	0	0	111.7	R56 F59 Q85 T88 K89	M54-R56 PolarHBondContact O-N 3.39Å; M54-F59 HydrophobicContact CE-CD2 4.07Å; M54-F59 HydrophobicContact CE-CE2 4.03Å; M54-F59 HydrophobicContact SD-CD2 3.88Å; M54-F59 HydrophobicContact SD-CE2 4.28Å; M54-Q85 HydrophobicContact CE-CG 4.09Å; M54-Q85 PolarHBondContact O-NE2 2.84Å; M54-T88 HydrophobicContact CE-CG2 4.04Å; M54-K89 HydrophobicContact CE-CB 4.47Å
55	R	93.4	Very high	91.6	Very high	210 Å²	210	106 Å²	106	79%	0.792	48%	0.484	S	S	*	.			trans	-65.3	133.8	172.6	-67.7	-176.2	-179	-179.1	0.9	109.7	L57 P58 F59	R55-L57 PolarHBondContact O-N 3.2Å; R55-P58 HydrophobicContact CB-CG 3.95Å; R55-P58 WeakPolarHBondContact O-CD 3.43Å; R55-F59 PolarHBondContact O-N 3.02Å
56	R	90.7	Very high	91.6	Very high	165 Å²	165	103.7 Å²	103.7	62%	0.623	48%	0.48	S	S	*	.	H	α-helix	trans	-58.4	-47.2	-175.9	-65.7	-177	179	-177.6	-0.7	113.4	M54 F59 Q60	M54-R56 PolarHBondContact O-N 3.39Å; R56-F59 PolarHBondContact O-N 3.44Å; R56-Q60 WeakPolarHBondContact O-CB 3.47Å; R56-Q60 PolarHBondContact O-N 3.03Å
57	L	93.7	Very high	91.8	Very high	96 Å²	96	100.1 Å²	100.1	50%	0.503	47%	0.469	S	S	.	.	H	α-helix	trans	-67.3	-47.2	-173.5	179.7	65.5	0	0	0	113.6	R55 F59 Q60 R61	R55-L57 PolarHBondContact O-N 3.2Å; L57-F59 PolarHBondContact O-N 2.99Å; L57-Q60 PolarHBondContact O-N 2.97Å; L57-R61 WeakPolarHBondContact O-CG 3.46Å; L57-R61 PolarHBondContact O-N 2.97Å
58	P	96	Very high	91.8	Very high	76 Å²	76	99.7 Å²	99.7	49%	0.494	47%	0.468	S	S	.	.	H	α-helix	trans	-59.5	-42.7	172.9	-26.6	35.5	0	0	0	113.6	R55 R61 L62	R55-P58 HydrophobicContact CB-CG 3.95Å; R55-P58 WeakPolarHBondContact O-CD 3.43Å; P58-R61 PolarHBondContact O-N 3.48Å; P58-L62 PolarHBondContact O-N 2.9Å
59	F	95.8	Very high	91.8	Very high	16 Å²	16	97.8 Å²	97.8	7%	0.07	46%	0.462	C	S	.	.	H	α-helix	trans	-62.5	-44.6	178	-174.8	-96.2	0	0	0	111.3	M54 R55 R56 L57 R61 L62 V63 V81 L84 Q85 T88	M54-F59 HydrophobicContact CE-CD2 4.07Å; M54-F59 HydrophobicContact CE-CE2 4.03Å; M54-F59 HydrophobicContact SD-CD2 3.88Å; M54-F59 HydrophobicContact SD-CE2 4.28Å; R55-F59 PolarHBondContact O-N 3.02Å; R56-F59 PolarHBondContact O-N 3.44Å; L57-F59 PolarHBondContact O-N 2.99Å; F59-R61 VanDerWaalsContact C-N 3.34Å; F59-R61 PolarHBondContact O-N 3.26Å; F59-L62 WeakPolarHBondContact O-CB 3.22Å; F59-L62 PolarHBondContact O-N 3.27Å; F59-V63 HydrophobicContact CD1-CG2 3.99Å; F59-V63 HydrophobicContact CE1-CG2 3.59Å; F59-V63 HydrophobicContact CZ-CG2 3.96Å; F59-V63 WeakPolarHBondContact O-CG2 3.23Å; F59-V63 PolarHBondContact O-N 2.84Å; F59-V81 HydrophobicContact CD1-CG1 4.17Å; F59-V81 HydrophobicContact CE1-CG1 4.46Å; F59-L84 HydrophobicContact CE1-CB 4.11Å; F59-L84 HydrophobicContact CZ-CB 4.27Å; F59-Q85 HydrophobicContact CD1-CB 3.81Å; F59-Q85 HydrophobicContact CD1-CG 3.82Å; F59-Q85 HydrophobicContact CD2-CG 4.28Å; F59-Q85 VanDerWaalsContact CE1-CA 3.49Å; F59-Q85 HydrophobicContact CE1-CB 3.53Å; F59-Q85 HydrophobicContact CE1-CG 3.94Å; F59-Q85 HydrophobicContact CE2-CG 4.38Å; F59-Q85 HydrophobicContact CG-CB 4.48Å; F59-Q85 HydrophobicContact CG-CG 4.01Å; F59-Q85 VanDerWaalsContact CZ-CA 3.48Å; F59-Q85 HydrophobicContact CZ-CB 3.99Å; F59-Q85 HydrophobicContact CZ-CG 4.22Å; F59-T88 HydrophobicContact CE2-CG2 4.22Å
60	Q	94.5	Very high	92.1	Very high	67 Å²	67	98.9 Å²	98.9	31%	0.313	47%	0.471	S	S	.	.	H	α-helix	trans	-60.4	-41.6	175.8	-174.2	-175.3	0.7	0	0	112.5	R56 L57 L62 V63 R64 V81	R56-Q60 WeakPolarHBondContact O-CB 3.47Å; R56-Q60 PolarHBondContact O-N 3.03Å; L57-Q60 PolarHBondContact O-N 2.97Å; Q60-L62 VanDerWaalsContact C-N 3.32Å; Q60-L62 PolarHBondContact O-N 2.9Å; Q60-V63 PolarHBondContact O-N 3.12Å; Q60-R64 WeakPolarHBondContact O-CG 3.31Å; Q60-R64 PolarHBondContact O-N 3.03Å; Q60-V81 HydrophobicContact CB-CG1 4.21Å; Q60-V81 HydrophobicContact CG-CG1 4.35Å
61	R	95.1	Very high	92.6	Very high	171 Å²	171	101 Å²	101	65%	0.645	46%	0.463	S	S	*	.	H	α-helix	trans	-62.5	-40.1	176.1	-72.2	176.4	-176.1	-176.4	-0.2	111.5	L57 P58 F59 R64 K65	L57-R61 WeakPolarHBondContact O-CG 3.46Å; L57-R61 PolarHBondContact O-N 2.97Å; P58-R61 PolarHBondContact O-N 3.48Å; F59-R61 VanDerWaalsContact C-N 3.34Å; F59-R61 PolarHBondContact O-N 3.26Å; R61-R64 PolarHBondContact O-N 3.36Å; R61-K65 WeakPolarHBondContact O-CB 3.45Å; R61-K65 PolarHBondContact O-N 2.85Å
62	L	95.8	Very high	92.8	Very high	91 Å²	91	101.3 Å²	101.3	48%	0.476	48%	0.475	S	S	.	.	H	α-helix	trans	-63.6	-49.1	176	179.1	64.7	0	0	0	111.7	P58 F59 Q60 R64 K65 I66	P58-L62 PolarHBondContact O-N 2.9Å; F59-L62 WeakPolarHBondContact O-CB 3.22Å; F59-L62 PolarHBondContact O-N 3.27Å; Q60-L62 VanDerWaalsContact C-N 3.32Å; Q60-L62 PolarHBondContact O-N 2.9Å; L62-R64 VanDerWaalsContact C-N 3.29Å; L62-R64 PolarHBondContact O-N 3.05Å; L62-K65 WeakPolarHBondContact O-CB 3.5Å; L62-K65 PolarHBondContact O-N 3.45Å; L62-K65 VanDerWaalsContact O-N 3.14Å; L62-I66 HydrophobicContact CD1-CD1 4.04Å; L62-I66 HydrophobicContact CD1-CG1 4.35Å; L62-I66 HydrophobicContact CG-CD1 3.98Å; L62-I66 WeakPolarHBondContact O-CG1 3.4Å; L62-I66 PolarHBondContact O-N 3.18Å
63	V	95.2	Very high	93	Very high	16 Å²	16	106.4 Å²	106.4	10%	0.097	50%	0.503	C	S	.	.	H	α-helix	trans	-56	-46.6	177.1	172.4	0	0	0	0	110.4	F59 Q60 K65 I66 T67 F76 L84	F59-V63 HydrophobicContact CD1-CG2 3.99Å; F59-V63 HydrophobicContact CE1-CG2 3.59Å; F59-V63 HydrophobicContact CZ-CG2 3.96Å; F59-V63 WeakPolarHBondContact O-CG2 3.23Å; F59-V63 PolarHBondContact O-N 2.84Å; Q60-V63 PolarHBondContact O-N 3.12Å; V63-K65 PolarHBondContact O-N 3.1Å; V63-I66 PolarHBondContact O-N 3.48Å; V63-T67 HydrophobicContact CG1-CG2 4.23Å; V63-T67 WeakPolarHBondContact O-CB 3.47Å; V63-T67 WeakPolarHBondContact O-CG2 3.26Å; V63-T67 PolarHBondContact O-N 3.18Å; V63-T67 PolarHBondContact O-OG1 2.81Å; V63-F76 HydrophobicContact CG1-CE1 4.49Å; V63-F76 HydrophobicContact CG1-CZ 4.44Å; V63-L84 HydrophobicContact CG1-CD1 3.87Å; V63-L84 HydrophobicContact CG2-CD1 4.37Å
64	R	94.5	Very high	93.3	Very high	100 Å²	100	105 Å²	105	38%	0.377	49%	0.492	S	S	.	.	H	α-helix	trans	-60.7	-44.5	177.3	-73.4	-173.6	-180	-70.8	2.1	112.6	Q60 R61 L62 T67 Q68 L74	Q60-R64 WeakPolarHBondContact O-CG 3.31Å; Q60-R64 PolarHBondContact O-N 3.03Å; R61-R64 PolarHBondContact O-N 3.36Å; L62-R64 VanDerWaalsContact C-N 3.29Å; L62-R64 PolarHBondContact O-N 3.05Å; R64-T67 WeakPolarHBondContact CA-OG1 3.36Å; R64-T67 PolarHBondContact O-N 3.32Å; R64-T67 PolarHBondContact O-OG1 3.38Å; R64-Q68 WeakPolarHBondContact O-CB 3.33Å; R64-Q68 PolarHBondContact O-N 3.48Å; R64-L74 PolarHBondContact NH1-O 2.79Å
65	K	94.8	Very high	93.4	Very high	136 Å²	136	113.7 Å²	113.7	59%	0.591	52%	0.522	S	S	*	.	H	α-helix	trans	-57.2	-50.4	178	-176.2	-174.9	174.5	-171.4	0	111.2	R61 L62 V63 Q68	R61-K65 WeakPolarHBondContact O-CB 3.45Å; R61-K65 PolarHBondContact O-N 2.85Å; L62-K65 WeakPolarHBondContact O-CB 3.5Å; L62-K65 PolarHBondContact O-N 3.45Å; L62-K65 VanDerWaalsContact O-N 3.14Å; V63-K65 PolarHBondContact O-N 3.1Å; K65-Q68 PolarHBondContact O-N 3.2Å
66	I	95	Very high	93.3	Very high	80 Å²	80	106.1 Å²	106.1	41%	0.41	50%	0.495	S	S	.	.	H	α-helix	trans	-63	-46.8	179.7	-64.3	168.1	0	0	0	110.3	L62 V63 Q68 E69 F70	L62-I66 HydrophobicContact CD1-CD1 4.04Å; L62-I66 HydrophobicContact CD1-CG1 4.35Å; L62-I66 HydrophobicContact CG-CD1 3.98Å; L62-I66 WeakPolarHBondContact O-CG1 3.4Å; L62-I66 PolarHBondContact O-N 3.18Å; V63-I66 PolarHBondContact O-N 3.48Å; I66-Q68 PolarHBondContact O-N 2.7Å; I66-E69 WeakPolarHBondContact O-CB 3.39Å; I66-E69 PolarHBondContact O-N 2.69Å; I66-F70 HydrophobicContact CG2-CE2 4.02Å; I66-F70 VanDerWaalsContact O-CD2 3.28Å; I66-F70 WeakPolarHBondContact O-CD2 3.48Å
67	T	94.8	Very high	93.6	Very high	30 Å²	30	104.8 Å²	104.8	18%	0.184	50%	0.495	C	S	.	.	H	α-helix	trans	-68.4	-25.6	-175.9	57.3	0	0	0	0	113.6	V63 R64 E69 F70 K71 F76	V63-T67 HydrophobicContact CG1-CG2 4.23Å; V63-T67 WeakPolarHBondContact O-CB 3.47Å; V63-T67 WeakPolarHBondContact O-CG2 3.26Å; V63-T67 PolarHBondContact O-N 3.18Å; V63-T67 PolarHBondContact O-OG1 2.81Å; R64-T67 WeakPolarHBondContact CA-OG1 3.36Å; R64-T67 PolarHBondContact O-N 3.32Å; R64-T67 PolarHBondContact O-OG1 3.38Å; T67-E69 PolarHBondContact O-N 3.2Å; T67-F70 PolarHBondContact O-N 3.22Å; T67-K71 PolarHBondContact O-N 2.86Å; T67-F76 HydrophobicContact CG2-CE1 4.21Å; T67-F76 HydrophobicContact CG2-CE2 4.21Å; T67-F76 HydrophobicContact CG2-CZ 3.44Å; T67-F76 VanDerWaalsContact CG2-CZ 3.44Å
68	Q	93.6	Very high	93.6	Very high	142 Å²	142	105.4 Å²	105.4	66%	0.664	50%	0.503	S	S	*	.	H	α-helix	trans	-66.6	-25.3	177.3	-173.6	172.4	5.6	0	0	112.3	R64 K65 I66 F70	R64-Q68 WeakPolarHBondContact O-CB 3.33Å; R64-Q68 PolarHBondContact O-N 3.48Å; K65-Q68 PolarHBondContact O-N 3.2Å; I66-Q68 PolarHBondContact O-N 2.7Å; Q68-F70 VanDerWaalsContact C-N 3.28Å; Q68-F70 PolarHBondContact O-N 2.86Å
69	E	92.8	Very high	93.5	Very high	146 Å²	146	104.4 Å²	104.4	68%	0.682	50%	0.498	S	S	*	.	H	α-helix	trans	-70.4	-24.7	175.3	-64	171	-168.7	0	0	112.1	I66 T67	I66-E69 WeakPolarHBondContact O-CB 3.39Å; I66-E69 PolarHBondContact O-N 2.69Å; T67-E69 PolarHBondContact O-N 3.2Å
70	F	92.4	Very high	93.5	Very high	170 Å²	170	106.3 Å²	106.3	75%	0.746	51%	0.511	S	S	*	.	H	α-helix	trans	-96.9	-43.2	-179.8	-60.7	-83.8	0	0	0	113.2	I66 T67 Q68	I66-F70 HydrophobicContact CG2-CE2 4.02Å; I66-F70 VanDerWaalsContact O-CD2 3.28Å; I66-F70 WeakPolarHBondContact O-CD2 3.48Å; T67-F70 PolarHBondContact O-N 3.22Å; Q68-F70 VanDerWaalsContact C-N 3.28Å; Q68-F70 PolarHBondContact O-N 2.86Å
71	K	91.4	Very high	93.5	Very high	138 Å²	138	103.9 Å²	103.9	60%	0.6	50%	0.5	S	S	*	.			trans	-153.8	123.4	-179.7	-175.9	164.9	177.4	171.6	0	111.2	T67 L74	T67-K71 PolarHBondContact O-N 2.86Å; K71-L74 HydrophobicContact CB-CD1 3.97Å; K71-L74 HydrophobicContact CB-CD2 4.47Å; K71-L74 HydrophobicContact CB-CG 4.08Å; K71-L74 HydrophobicContact CD-CD2 4Å; K71-L74 HydrophobicContact CD-CG 4.48Å; K71-L74 HydrophobicContact CG-CD2 4.19Å; K71-L74 HydrophobicContact CG-CG 4.15Å
72	A	88.8	Confident	93.4	Very high	68 Å²	68	98.4 Å²	98.4	56%	0.562	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	152.5	173.4	0	0	0	0	0	111.6	L74	A72-L74 VanDerWaalsContact C-N 3.35Å; A72-L74 PolarHBondContact O-N 3.37Å
73	D	87.6	Confident	93.4	Very high	162 Å²	162	97 Å²	97	87%	0.866	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	26.7	171.8	-57.1	-36.5	0	0	0	117.4	R75	D73-R75 PolarHBondContact O-N 3.48Å
74	L	92	Very high	93.4	Very high	68 Å²	68	99.5 Å²	99.5	36%	0.356	50%	0.498	S	S	.	.			trans	-67.3	128	171.7	-71.7	177.4	0	0	0	112.9	R64 K71 A72 F76	R64-L74 PolarHBondContact NH1-O 2.79Å; K71-L74 HydrophobicContact CB-CD1 3.97Å; K71-L74 HydrophobicContact CB-CD2 4.47Å; K71-L74 HydrophobicContact CB-CG 4.08Å; K71-L74 HydrophobicContact CD-CD2 4Å; K71-L74 HydrophobicContact CD-CG 4.48Å; K71-L74 HydrophobicContact CG-CD2 4.19Å; K71-L74 HydrophobicContact CG-CG 4.15Å; A72-L74 VanDerWaalsContact C-N 3.35Å; A72-L74 PolarHBondContact O-N 3.37Å; L74-F76 HydrophobicContact CB-CE2 4.01Å; L74-F76 HydrophobicContact CB-CZ 4.14Å; L74-F76 HydrophobicContact CD1-CZ 4.37Å
75	R	92.8	Very high	93.4	Very high	239 Å²	239	94.8 Å²	94.8	90%	0.902	48%	0.48	S	S	*	.			trans	-97.3	131.4	170.8	-65.5	-175.6	174.2	-165.1	-1	109.7	D73	D73-R75 PolarHBondContact O-N 3.48Å
76	F	92.4	Very high	93.4	Very high	51 Å²	51	92 Å²	92	22%	0.224	47%	0.469	C	S	.	.			trans	-108.8	136.5	177.1	-66.5	-82.9	0	0	0	110.3	V63 T67 L74 T80 V81	V63-F76 HydrophobicContact CG1-CE1 4.49Å; V63-F76 HydrophobicContact CG1-CZ 4.44Å; T67-F76 HydrophobicContact CG2-CE1 4.21Å; T67-F76 HydrophobicContact CG2-CE2 4.21Å; T67-F76 HydrophobicContact CG2-CZ 3.44Å; T67-F76 VanDerWaalsContact CG2-CZ 3.44Å; L74-F76 HydrophobicContact CB-CE2 4.01Å; L74-F76 HydrophobicContact CB-CZ 4.14Å; L74-F76 HydrophobicContact CD1-CZ 4.37Å; F76-T80 HydrophobicContact CD1-CG2 4.18Å; F76-V81 HydrophobicContact CB-CG2 3.87Å; F76-V81 HydrophobicContact CG-CG2 4.47Å
77	Q	95.8	Very high	93.4	Very high	137 Å²	137	91.1 Å²	91.1	64%	0.64	47%	0.474	S	S	*	.			trans	-69.9	150.1	164.3	-163.9	-179.7	-3.3	0	0	109.4	S79 T80 V81	Q77-S79 VanDerWaalsContact C-N 3.26Å; Q77-S79 VanDerWaalsContact CG-OG 3.25Å; Q77-S79 WeakPolarHBondContact CG-OG 3.34Å; Q77-S79 PolarHBondContact NE2-OG 3.42Å; Q77-S79 PolarHBondContact O-N 2.97Å; Q77-S79 PolarHBondContact OE1-OG 2.89Å; Q77-T80 WeakPolarHBondContact O-CB 3.32Å; Q77-T80 PolarHBondContact O-N 3.48Å; Q77-V81 PolarHBondContact O-N 3.46Å
78	V	93.5	Very high	93.4	Very high	110 Å²	110	92.1 Å²	92.1	67%	0.667	48%	0.48	S	S	*	.	H	α-helix	trans	-60.4	-38.7	177.7	179	0	0	0	0	111.3	T80 V81 L82	V78-T80 VanDerWaalsContact C-N 3.34Å; V78-T80 PolarHBondContact O-N 3.2Å; V78-V81 PolarHBondContact O-N 3.43Å; V78-L82 HydrophobicContact CG1-CD1 4.26Å; V78-L82 WeakPolarHBondContact O-CG 3.44Å; V78-L82 PolarHBondContact O-N 2.96Å; V78-L82 VanDerWaalsContact O-N 3.09Å
79	S	95.1	Very high	93.3	Very high	55 Å²	55	86.8 Å²	86.8	39%	0.385	45%	0.454	S	S	.	.	H	α-helix	trans	-61.3	-39.3	175.7	51.8	0	0	0	0	112.6	Q77 L82 A83	Q77-S79 VanDerWaalsContact C-N 3.26Å; Q77-S79 VanDerWaalsContact CG-OG 3.25Å; Q77-S79 WeakPolarHBondContact CG-OG 3.34Å; Q77-S79 PolarHBondContact NE2-OG 3.42Å; Q77-S79 PolarHBondContact O-N 2.97Å; Q77-S79 PolarHBondContact OE1-OG 2.89Å; S79-L82 PolarHBondContact O-N 3.24Å; S79-A83 WeakPolarHBondContact O-CB 3.42Å; S79-A83 PolarHBondContact O-N 3.44Å
80	T	95.2	Very high	93.3	Very high	56 Å²	56	82.9 Å²	82.9	34%	0.344	45%	0.447	S	S	.	.	H	α-helix	trans	-61.1	-46	176.9	-49.2	0	0	0	0	111.2	F76 Q77 V78 L82 A83 L84	F76-T80 HydrophobicContact CD1-CG2 4.18Å; Q77-T80 WeakPolarHBondContact O-CB 3.32Å; Q77-T80 PolarHBondContact O-N 3.48Å; V78-T80 VanDerWaalsContact C-N 3.34Å; V78-T80 PolarHBondContact O-N 3.2Å; T80-L82 VanDerWaalsContact C-N 3.31Å; T80-L82 PolarHBondContact O-N 2.89Å; T80-A83 PolarHBondContact O-N 3Å; T80-L84 HydrophobicContact CG2-CD1 4.48Å; T80-L84 WeakPolarHBondContact O-CG 3.23Å; T80-L84 PolarHBondContact O-N 2.86Å
81	V	94.2	Very high	93.4	Very high	15 Å²	15	79.9 Å²	79.9	9%	0.091	43%	0.431	C	S	.	.	H	α-helix	trans	-64.3	-38.8	178.3	-178.1	0	0	0	0	110.9	F59 Q60 F76 Q77 V78 Q85	F59-V81 HydrophobicContact CD1-CG1 4.17Å; F59-V81 HydrophobicContact CE1-CG1 4.46Å; Q60-V81 HydrophobicContact CB-CG1 4.21Å; Q60-V81 HydrophobicContact CG-CG1 4.35Å; F76-V81 HydrophobicContact CB-CG2 3.87Å; F76-V81 HydrophobicContact CG-CG2 4.47Å; Q77-V81 PolarHBondContact O-N 3.46Å; V78-V81 PolarHBondContact O-N 3.43Å; V81-Q85 WeakPolarHBondContact O-CB 3.37Å; V81-Q85 PolarHBondContact O-N 3.18Å
82	L	94	Very high	93.5	Very high	56 Å²	56	77.6 Å²	77.6	29%	0.293	42%	0.424	S	S	.	.	H	α-helix	trans	-66.5	-40.8	175.6	-69.4	173.6	0	0	0	112.4	L52 V78 S79 T80 Q85 E86	L52-L82 HydrophobicContact CD1-CD2 3.89Å; V78-L82 HydrophobicContact CG1-CD1 4.26Å; V78-L82 WeakPolarHBondContact O-CG 3.44Å; V78-L82 PolarHBondContact O-N 2.96Å; V78-L82 VanDerWaalsContact O-N 3.09Å; S79-L82 PolarHBondContact O-N 3.24Å; T80-L82 VanDerWaalsContact C-N 3.31Å; T80-L82 PolarHBondContact O-N 2.89Å; L82-Q85 WeakPolarHBondContact O-CB 3.36Å; L82-Q85 PolarHBondContact O-N 3.39Å; L82-E86 PolarHBondContact O-N 2.89Å
83	A	95.1	Very high	93.7	Very high	61 Å²	61	77.6 Å²	77.6	50%	0.504	42%	0.417	S	S	.	.	H	α-helix	trans	-63.6	-45.1	176.9	0	0	0	0	0	111.3	S79 T80 Q85 E86 A87	S79-A83 WeakPolarHBondContact O-CB 3.42Å; S79-A83 PolarHBondContact O-N 3.44Å; T80-A83 PolarHBondContact O-N 3Å; A83-Q85 VanDerWaalsContact C-N 3.28Å; A83-Q85 PolarHBondContact O-N 3.36Å; A83-E86 PolarHBondContact O-N 3.35Å; A83-A87 WeakPolarHBondContact O-CB 3.43Å; A83-A87 PolarHBondContact O-N 3.45Å
84	L	95.4	Very high	93.9	Very high	70 Å²	70	71.3 Å²	71.3	37%	0.366	39%	0.39	S	S	.	.	H	α-helix	trans	-58.4	-43.2	172.4	-71.7	173.3	0	0	0	111	F59 V63 T80 A87 T88	F59-L84 HydrophobicContact CE1-CB 4.11Å; F59-L84 HydrophobicContact CZ-CB 4.27Å; V63-L84 HydrophobicContact CG1-CD1 3.87Å; V63-L84 HydrophobicContact CG2-CD1 4.37Å; T80-L84 HydrophobicContact CG2-CD1 4.48Å; T80-L84 WeakPolarHBondContact O-CG 3.23Å; T80-L84 PolarHBondContact O-N 2.86Å; L84-A87 PolarHBondContact O-N 2.63Å; L84-T88 WeakPolarHBondContact O-CB 3.36Å; L84-T88 PolarHBondContact O-N 3.32Å; L84-T88 PolarHBondContact O-OG1 2.99Å
85	Q	94.9	Very high	94	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-64.5	-42	-179.8	-161.7	-179.1	-21.4	0	0	112.5	L52 M54 F59 V81 L82 A83 K89	L52-Q85 HydrophobicContact CD2-CB 4.32Å; L52-Q85 HydrophobicContact CD2-CG 3.91Å; M54-Q85 HydrophobicContact CE-CG 4.09Å; M54-Q85 PolarHBondContact O-NE2 2.84Å; F59-Q85 HydrophobicContact CD1-CB 3.81Å; F59-Q85 HydrophobicContact CD1-CG 3.82Å; F59-Q85 HydrophobicContact CD2-CG 4.28Å; F59-Q85 VanDerWaalsContact CE1-CA 3.49Å; F59-Q85 HydrophobicContact CE1-CB 3.53Å; F59-Q85 HydrophobicContact CE1-CG 3.94Å; F59-Q85 HydrophobicContact CE2-CG 4.38Å; F59-Q85 HydrophobicContact CG-CB 4.48Å; F59-Q85 HydrophobicContact CG-CG 4.01Å; F59-Q85 VanDerWaalsContact CZ-CA 3.48Å; F59-Q85 HydrophobicContact CZ-CB 3.99Å; F59-Q85 HydrophobicContact CZ-CG 4.22Å; V81-Q85 WeakPolarHBondContact O-CB 3.37Å; V81-Q85 PolarHBondContact O-N 3.18Å; L82-Q85 WeakPolarHBondContact O-CB 3.36Å; L82-Q85 PolarHBondContact O-N 3.39Å; A83-Q85 VanDerWaalsContact C-N 3.28Å; A83-Q85 PolarHBondContact O-N 3.36Å; Q85-K89 WeakPolarHBondContact O-CB 3.43Å; Q85-K89 PolarHBondContact O-N 3.21Å
86	E	93.8	Very high	94.1	Very high	78 Å²	78	61.9 Å²	61.9	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-69.8	-39.8	177.5	-162.1	63.2	-156.2	0	0	111.3	L52 L82 A83 K89 A90	L52-E86 WeakPolarHBondContact CD2-OE2 3.33Å; L82-E86 PolarHBondContact O-N 2.89Å; A83-E86 PolarHBondContact O-N 3.35Å; E86-K89 PolarHBondContact O-N 3.25Å; E86-K89 IonicContact OE1-NZ 3.55Å; E86-K89 PolarHBondContact OE1-NZ 2.9Å; E86-K89 IonicContact OE2-NZ 2.93Å; E86-A90 WeakPolarHBondContact O-CB 3.42Å; E86-A90 PolarHBondContact O-N 3.45Å
87	A	94.7	Very high	94.1	Very high	61 Å²	61	65.3 Å²	65.3	50%	0.504	37%	0.374	S	S	.	.	H	α-helix	trans	-62	-47.1	174.8	0	0	0	0	0	111.8	A83 L84 K89 A90 Y91	A83-A87 WeakPolarHBondContact O-CB 3.43Å; A83-A87 PolarHBondContact O-N 3.45Å; L84-A87 PolarHBondContact O-N 2.63Å; A87-K89 VanDerWaalsContact C-N 3.33Å; A87-K89 PolarHBondContact O-N 3.38Å; A87-A90 PolarHBondContact O-N 2.86Å; A87-Y91 WeakPolarHBondContact O-CB 3.42Å; A87-Y91 PolarHBondContact O-N 2.86Å
88	T	95.1	Very high	94	Very high	50 Å²	50	59.3 Å²	59.3	31%	0.307	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-42.9	175.7	-56.2	0	0	0	0	111.3	M54 F59 L84 Y91 M92	M54-T88 HydrophobicContact CE-CG2 4.04Å; F59-T88 HydrophobicContact CE2-CG2 4.22Å; L84-T88 WeakPolarHBondContact O-CB 3.36Å; L84-T88 PolarHBondContact O-N 3.32Å; L84-T88 PolarHBondContact O-OG1 2.99Å; T88-Y91 PolarHBondContact O-N 2.88Å; T88-M92 HydrophobicContact CG2-CG 4.35Å; T88-M92 HydrophobicContact CG2-SD 4.08Å; T88-M92 WeakPolarHBondContact O-CB 3.45Å; T88-M92 VanDerWaalsContact O-CG 3.26Å; T88-M92 WeakPolarHBondContact O-CG 3.42Å; T88-M92 PolarHBondContact O-N 2.97Å
89	K	92.9	Very high	94.1	Very high	31 Å²	31	54 Å²	54	14%	0.135	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-47.1	176	173.8	-172.9	157.8	-155.5	0	111.3	E51 L52 M54 Q85 E86 A87 Y91 M92 V93	E51-K89 WeakPolarHBondContact O-CE 3.28Å; E51-K89 PolarHBondContact O-NZ 2.82Å; E51-K89 VanDerWaalsContact O-NZ 3.1Å; L52-K89 HydrophobicContact CD2-CD 4.48Å; M54-K89 HydrophobicContact CE-CB 4.47Å; Q85-K89 WeakPolarHBondContact O-CB 3.43Å; Q85-K89 PolarHBondContact O-N 3.21Å; E86-K89 PolarHBondContact O-N 3.25Å; E86-K89 IonicContact OE1-NZ 3.55Å; E86-K89 PolarHBondContact OE1-NZ 2.9Å; E86-K89 IonicContact OE2-NZ 2.93Å; A87-K89 VanDerWaalsContact C-N 3.33Å; A87-K89 PolarHBondContact O-N 3.38Å; K89-Y91 PolarHBondContact O-N 2.71Å; K89-M92 PolarHBondContact O-N 2.9Å; K89-V93 HydrophobicContact CG-CG2 4.49Å; K89-V93 VanDerWaalsContact O-CG2 3.28Å; K89-V93 WeakPolarHBondContact O-CG2 3.37Å; K89-V93 PolarHBondContact O-N 3.27Å
90	A	92.8	Very high	94.1	Very high	63 Å²	63	54.9 Å²	54.9	52%	0.521	32%	0.317	S	S	.	.	H	α-helix	trans	-60.2	-45.8	178.8	0	0	0	0	0	111.6	E86 A87 V93 G94	E86-A90 WeakPolarHBondContact O-CB 3.42Å; E86-A90 PolarHBondContact O-N 3.45Å; A87-A90 PolarHBondContact O-N 2.86Å; A90-V93 PolarHBondContact O-N 3.05Å; A90-G94 PolarHBondContact O-N 3.19Å
91	Y	93.5	Very high	94	Very high	107 Å²	107	57.9 Å²	57.9	42%	0.42	33%	0.331	S	S	.	.	H	α-helix	trans	-57.8	-50.8	174.7	173.2	-95.2	0	0	0	112.1	A87 T88 K89 V93 G94 L95 E125	A87-Y91 WeakPolarHBondContact O-CB 3.42Å; A87-Y91 PolarHBondContact O-N 2.86Å; T88-Y91 PolarHBondContact O-N 2.88Å; K89-Y91 PolarHBondContact O-N 2.71Å; Y91-V93 VanDerWaalsContact C-N 3.33Å; Y91-V93 PolarHBondContact O-N 2.93Å; Y91-G94 PolarHBondContact O-N 3.3Å; Y91-L95 HydrophobicContact CE1-CD2 4.31Å; Y91-L95 WeakPolarHBondContact O-CB 3.44Å; Y91-L95 PolarHBondContact O-N 3.39Å; Y91-E125 WeakPolarHBondContact CE2-OE1 3.41Å; Y91-E125 PolarHBondContact OH-OE2 3.48Å
92	M	93.8	Very high	93.8	Very high	91 Å²	91	58.1 Å²	58.1	45%	0.448	33%	0.333	S	S	.	.	H	α-helix	trans	-62.2	-39.3	-180	-71.4	-178.8	78.8	0	0	112.4	T88 K89 L96	T88-M92 HydrophobicContact CG2-CG 4.35Å; T88-M92 HydrophobicContact CG2-SD 4.08Å; T88-M92 WeakPolarHBondContact O-CB 3.45Å; T88-M92 VanDerWaalsContact O-CG 3.26Å; T88-M92 WeakPolarHBondContact O-CG 3.42Å; T88-M92 PolarHBondContact O-N 2.97Å; K89-M92 PolarHBondContact O-N 2.9Å; M92-L96 VanDerWaalsContact O-CB 3.31Å; M92-L96 WeakPolarHBondContact O-CB 3.2Å; M92-L96 WeakPolarHBondContact O-CG 3.46Å; M92-L96 PolarHBondContact O-N 3.25Å
93	V	93.1	Very high	93.8	Very high	67 Å²	67	55.4 Å²	55.4	41%	0.406	32%	0.319	S	S	.	.	H	α-helix	trans	-65.4	-47.5	177.1	171.4	0	0	0	0	110.5	K89 A90 Y91 L95 L96 E97	K89-V93 HydrophobicContact CG-CG2 4.49Å; K89-V93 VanDerWaalsContact O-CG2 3.28Å; K89-V93 WeakPolarHBondContact O-CG2 3.37Å; K89-V93 PolarHBondContact O-N 3.27Å; A90-V93 PolarHBondContact O-N 3.05Å; Y91-V93 VanDerWaalsContact C-N 3.33Å; Y91-V93 PolarHBondContact O-N 2.93Å; V93-L95 PolarHBondContact O-N 3.13Å; V93-L96 PolarHBondContact O-N 2.96Å; V93-E97 HydrophobicContact CG1-CG 4.44Å; V93-E97 WeakPolarHBondContact O-CG 3.17Å; V93-E97 PolarHBondContact O-N 3.38Å
94	G	92.5	Very high	93.8	Very high	31 Å²	31	57.2 Å²	57.2	32%	0.32	32%	0.319	S	S	.	.	H	α-helix	trans	-59.3	-45.2	177	0	0	0	0	0	112.7	A90 Y91 L96 E97 G98	A90-G94 PolarHBondContact O-N 3.19Å; Y91-G94 PolarHBondContact O-N 3.3Å; G94-L96 VanDerWaalsContact C-N 3.34Å; G94-L96 PolarHBondContact O-N 3.42Å; G94-E97 PolarHBondContact O-N 3.3Å; G94-G98 PolarHBondContact O-N 2.98Å; G94-G98 VanDerWaalsContact O-N 3.12Å
95	L	92.9	Very high	93.7	Very high	28 Å²	28	62.1 Å²	62.1	15%	0.147	34%	0.34	C	S	.	.	H	α-helix	trans	-60.5	-42.7	175.3	178.8	61.1	0	0	0	111.9	Y91 V93 G98 T99 I116 A119 Q120	Y91-L95 HydrophobicContact CE1-CD2 4.31Å; Y91-L95 WeakPolarHBondContact O-CB 3.44Å; Y91-L95 PolarHBondContact O-N 3.39Å; V93-L95 PolarHBondContact O-N 3.13Å; L95-G98 PolarHBondContact O-N 3.16Å; L95-T99 VanDerWaalsContact O-CB 3.31Å; L95-T99 WeakPolarHBondContact O-CB 2.92Å; L95-T99 PolarHBondContact O-N 3.38Å; L95-T99 PolarHBondContact O-OG1 3.19Å; L95-I116 HydrophobicContact CD1-CG2 4.26Å; L95-I116 HydrophobicContact CD2-CG2 4.13Å; L95-I116 HydrophobicContact CG-CG2 4.41Å; L95-A119 HydrophobicContact CD1-CB 4.23Å; L95-Q120 HydrophobicContact CD1-CG 3.57Å
96	L	94.5	Very high	93.5	Very high	81 Å²	81	63.9 Å²	63.9	42%	0.424	36%	0.358	S	S	.	.	H	α-helix	trans	-71.1	-31	179.4	-74	172	0	0	0	113	M92 V93 G94 T99 N100 I111	M92-L96 VanDerWaalsContact O-CB 3.31Å; M92-L96 WeakPolarHBondContact O-CB 3.2Å; M92-L96 WeakPolarHBondContact O-CG 3.46Å; M92-L96 PolarHBondContact O-N 3.25Å; V93-L96 PolarHBondContact O-N 2.96Å; G94-L96 VanDerWaalsContact C-N 3.34Å; G94-L96 PolarHBondContact O-N 3.42Å; L96-T99 PolarHBondContact O-N 3.15Å; L96-N100 VanDerWaalsContact O-CB 3.25Å; L96-N100 WeakPolarHBondContact O-CB 3.2Å; L96-N100 PolarHBondContact O-N 3.03Å; L96-I111 HydrophobicContact CD2-CD1 3.92Å
97	E	93.8	Very high	93.5	Very high	122 Å²	122	71.6 Å²	71.6	57%	0.57	38%	0.384	S	S	*	.	H	α-helix	trans	-63.4	-49.6	171.6	-75	176.2	-175.7	0	0	110.7	V93 G94 T99 N100 L101	V93-E97 HydrophobicContact CG1-CG 4.44Å; V93-E97 WeakPolarHBondContact O-CG 3.17Å; V93-E97 PolarHBondContact O-N 3.38Å; G94-E97 PolarHBondContact O-N 3.3Å; E97-T99 VanDerWaalsContact C-N 3.35Å; E97-T99 PolarHBondContact O-N 3.1Å; E97-N100 PolarHBondContact O-N 3.04Å; E97-L101 WeakPolarHBondContact O-CG 3.28Å; E97-L101 PolarHBondContact O-N 3.42Å
98	G	92.9	Very high	93.6	Very high	11 Å²	11	73 Å²	73	11%	0.113	38%	0.376	C	S	.	.	H	α-helix	trans	-61.5	-40.8	174.4	0	0	0	0	0	112.9	G94 L95 N100 L101 C102	G94-G98 PolarHBondContact O-N 2.98Å; G94-G98 VanDerWaalsContact O-N 3.12Å; L95-G98 PolarHBondContact O-N 3.16Å; G98-N100 PolarHBondContact O-N 3.27Å; G98-L101 PolarHBondContact O-N 3.42Å; G98-C102 PolarHBondContact O-N 2.98Å; G98-C102 PolarHBondContact O-SG 3.18Å
99	T	95.1	Very high	93.5	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-61.5	-43.1	175.2	-59.6	0	0	0	0	111.4	L95 L96 E97 C102 A103 I111 D115 I116	L95-T99 VanDerWaalsContact O-CB 3.31Å; L95-T99 WeakPolarHBondContact O-CB 2.92Å; L95-T99 PolarHBondContact O-N 3.38Å; L95-T99 PolarHBondContact O-OG1 3.19Å; L96-T99 PolarHBondContact O-N 3.15Å; E97-T99 VanDerWaalsContact C-N 3.35Å; E97-T99 PolarHBondContact O-N 3.1Å; T99-C102 WeakPolarHBondContact O-CB 3.19Å; T99-C102 PolarHBondContact O-N 3.47Å; T99-A103 PolarHBondContact O-N 3.17Å; T99-I111 HydrophobicContact CG2-CB 3.92Å; T99-I111 HydrophobicContact CG2-CG2 3.9Å; T99-D115 HydrophobicContact CG2-CB 3.55Å; T99-I116 HydrophobicContact CG2-CG1 3.59Å
100	N	95.8	Very high	93.6	Very high	72 Å²	72	80.9 Å²	80.9	39%	0.385	43%	0.426	S	S	.	.	H	α-helix	trans	-64.7	-40.1	177.8	-175.7	48.1	0	0	0	111.5	L96 E97 G98 C102 A103 I104	L96-N100 VanDerWaalsContact O-CB 3.25Å; L96-N100 WeakPolarHBondContact O-CB 3.2Å; L96-N100 PolarHBondContact O-N 3.03Å; E97-N100 PolarHBondContact O-N 3.04Å; G98-N100 PolarHBondContact O-N 3.27Å; N100-C102 VanDerWaalsContact C-N 3.34Å; N100-C102 PolarHBondContact O-N 3.29Å; N100-A103 PolarHBondContact O-N 2.59Å; N100-I104 VanDerWaalsContact O-CG1 3.29Å; N100-I104 WeakPolarHBondContact O-CG1 3.45Å; N100-I104 PolarHBondContact O-N 3.49Å
101	L	92.7	Very high	93.7	Very high	119 Å²	119	81.4 Å²	81.4	62%	0.623	42%	0.42	S	S	*	.	H	α-helix	trans	-61.4	-41	173.2	-67.5	175	0	0	0	111.9	E97 G98 I104 H105	E97-L101 WeakPolarHBondContact O-CG 3.28Å; E97-L101 PolarHBondContact O-N 3.42Å; G98-L101 PolarHBondContact O-N 3.42Å; L101-I104 PolarHBondContact O-N 2.84Å; L101-H105 WeakPolarHBondContact O-CB 3.49Å; L101-H105 PolarHBondContact O-N 3.27Å
102	C	91	Very high	93.8	Very high	20 Å²	20	79.7 Å²	79.7	14%	0.135	42%	0.42	C	S	.	.	H	α-helix	trans	-63.4	-41.1	175	-66.7	0	0	0	0	112.2	G98 T99 N100 H105 G106 D115	G98-C102 PolarHBondContact O-N 2.98Å; G98-C102 PolarHBondContact O-SG 3.18Å; T99-C102 WeakPolarHBondContact O-CB 3.19Å; T99-C102 PolarHBondContact O-N 3.47Å; N100-C102 VanDerWaalsContact C-N 3.34Å; N100-C102 PolarHBondContact O-N 3.29Å; C102-H105 WeakPolarHBondContact O-CB 3.45Å; C102-H105 PolarHBondContact O-N 3.27Å; C102-G106 PolarHBondContact O-N 3.13Å; C102-D115 HydrophobicContact CB-CB 4.02Å
103	A	93.8	Very high	93.7	Very high	0 Å²	0	78.3 Å²	78.3	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-63.7	-44.5	175.9	0	0	0	0	0	111.8	T99 N100 G106 R107 R108 I111	T99-A103 PolarHBondContact O-N 3.17Å; N100-A103 PolarHBondContact O-N 2.59Å; A103-G106 CarbonylContact O-C 3.39Å; A103-G106 WeakPolarHBondContact O-CA 3.4Å; A103-G106 PolarHBondContact O-N 3.27Å; A103-G106 VanDerWaalsContact O-N 3.14Å; A103-R107 PolarHBondContact O-N 2.94Å; A103-R108 CarbonylContact C-O 3.3Å; A103-R108 VanDerWaalsContact C-O 3.3Å; A103-R108 PolarHBondContact O-N 3.22Å; A103-R108 VanDerWaalsContact O-O 3.08Å; A103-I111 HydrophobicContact CB-CG2 4.07Å
104	I	94.1	Very high	93.6	Very high	98 Å²	98	82.9 Å²	82.9	50%	0.503	44%	0.438	S	S	.	.	H	α-helix	trans	-62.7	-42.7	176.5	-68.5	166.2	0	0	0	110.7	N100 L101 G106 R107	N100-I104 VanDerWaalsContact O-CG1 3.29Å; N100-I104 WeakPolarHBondContact O-CG1 3.45Å; N100-I104 PolarHBondContact O-N 3.49Å; L101-I104 PolarHBondContact O-N 2.84Å; I104-G106 PolarHBondContact O-N 3.44Å; I104-R107 PolarHBondContact O-N 2.95Å
105	H	92.9	Very high	93.6	Very high	173 Å²	173	81.7 Å²	81.7	80%	0.801	42%	0.424	S	S	*	.	H	α-helix	trans	-57.4	-39.9	174.4	-177.5	78.4	0	0	0	111.5	L101 C102 R107	L101-H105 WeakPolarHBondContact O-CB 3.49Å; L101-H105 PolarHBondContact O-N 3.27Å; C102-H105 WeakPolarHBondContact O-CB 3.45Å; C102-H105 PolarHBondContact O-N 3.27Å; H105-R107 PolarHBondContact O-N 2.92Å
106	G	92.1	Very high	93.5	Very high	38 Å²	38	83 Å²	83	39%	0.392	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	12.8	173.7	0	0	0	0	0	115.7	C102 A103 I104 R108	C102-G106 PolarHBondContact O-N 3.13Å; A103-G106 CarbonylContact O-C 3.39Å; A103-G106 WeakPolarHBondContact O-CA 3.4Å; A103-G106 PolarHBondContact O-N 3.27Å; A103-G106 VanDerWaalsContact O-N 3.14Å; I104-G106 PolarHBondContact O-N 3.44Å; G106-R108 PolarHBondContact O-N 3.34Å
107	R	94.1	Very high	93.3	Very high	240 Å²	240	83.8 Å²	83.8	91%	0.906	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	31.4	-177.8	-54.7	-177.9	-179	-138.3	-0.1	114	A103 I104 H105	A103-R107 PolarHBondContact O-N 2.94Å; I104-R107 PolarHBondContact O-N 2.95Å; H105-R107 PolarHBondContact O-N 2.92Å
108	R	95.7	Very high	93.1	Very high	92 Å²	92	82.5 Å²	82.5	35%	0.347	43%	0.427	S	S	.	.			trans	-115.3	152.6	176.2	-71.5	178	-71.7	103.5	-1.9	110.4	A103 G106 T110 D115	A103-R108 CarbonylContact C-O 3.3Å; A103-R108 VanDerWaalsContact C-O 3.3Å; A103-R108 PolarHBondContact O-N 3.22Å; A103-R108 VanDerWaalsContact O-O 3.08Å; G106-R108 PolarHBondContact O-N 3.34Å; R108-T110 PolarHBondContact NH1-O 3.41Å; R108-T110 VanDerWaalsContact NH1-O 3.14Å; R108-D115 IonicContact CZ-OD1 2.67Å; R108-D115 IonicContact CZ-OD2 3.48Å; R108-D115 IonicContact NH1-OD1 3.94Å; R108-D115 PolarHBondContact NH1-OD1 2.92Å; R108-D115 IonicContact NH1-OD2 3.52Å; R108-D115 PolarHBondContact NH1-OD2 3.16Å; R108-D115 IonicContact NH2-OD1 3.47Å; R108-D115 PolarHBondContact NH2-OD1 2.89Å; R108-D115 IonicContact NH2-OD2 2.72Å; R108-D115 PolarHBondContact NH2-OD2 3.01Å
109	V	93.5	Very high	92.9	Very high	138 Å²	138	82 Å²	82	84%	0.836	42%	0.422	S	S	*	.	S	Bend	trans	-101.8	-22.3	172.4	-174.7	0	0	0	0	111.1
110	T	95.9	Very high	92.7	Very high	107 Å²	107	83.8 Å²	83.8	66%	0.656	43%	0.43	S	S	*	.	S	Bend	trans	-93.1	122.8	177.5	-49.6	0	0	0	0	109.6	R108	R108-T110 PolarHBondContact NH1-O 3.41Å; R108-T110 VanDerWaalsContact NH1-O 3.14Å
111	I	94.8	Very high	92.3	Very high	75 Å²	75	88.8 Å²	88.8	39%	0.385	44%	0.444	S	S	.	.			trans	-69.2	143.1	171.9	60.1	172.8	0	0	0	110.8	L96 T99 A103	L96-I111 HydrophobicContact CD2-CD1 3.92Å; T99-I111 HydrophobicContact CG2-CB 3.92Å; T99-I111 HydrophobicContact CG2-CG2 3.9Å; A103-I111 HydrophobicContact CB-CG2 4.07Å
112	V	94	Very high	91.9	Very high	71 Å²	71	88.6 Å²	88.6	43%	0.43	44%	0.442	S	S	.	.			trans	-131.8	158.3	-178.9	-169.6	0	0	0	0	108.7	K114 D115	V112-K114 PolarHBondContact O-N 3.34Å; V112-D115 PolarHBondContact N-OD2 3.38Å; V112-D115 VanDerWaalsContact O-CB 3.29Å; V112-D115 WeakPolarHBondContact O-CB 3.46Å; V112-D115 PolarHBondContact O-N 3.3Å
113	A	93.2	Very high	91.5	Very high	62 Å²	62	93.1 Å²	93.1	51%	0.512	46%	0.461	S	S	.	.	H	α-helix	trans	-52.1	-32.4	179.6	0	0	0	0	0	114.2	D115 I116 Q117	A113-D115 VanDerWaalsContact C-N 3.29Å; A113-D115 PolarHBondContact O-N 3.44Å; A113-I116 PolarHBondContact O-N 3.32Å; A113-Q117 WeakPolarHBondContact O-CG 3.25Å; A113-Q117 PolarHBondContact O-N 2.97Å; A113-Q117 VanDerWaalsContact O-N 3.13Å
114	K	90.2	Very high	90.6	Very high	162 Å²	162	96.1 Å²	96.1	70%	0.704	49%	0.492	S	S	*	.	H	α-helix	trans	-63.2	-32.8	175.2	-67	-174.4	178.4	-177	0	113	V112 I116 M118	V112-K114 PolarHBondContact O-N 3.34Å; K114-I116 VanDerWaalsContact C-N 3.35Å; K114-M118 WeakPolarHBondContact O-CB 3.36Å; K114-M118 PolarHBondContact O-N 2.95Å
115	D	92.1	Very high	89.3	Confident	7 Å²	7	94.3 Å²	94.3	4%	0.037	48%	0.481	C	S	.	.	H	α-helix	trans	-69.6	-37.1	178.4	-57.9	-42	0	0	0	111	T99 C102 R108 V112 A113 M118 A119	T99-D115 HydrophobicContact CG2-CB 3.55Å; C102-D115 HydrophobicContact CB-CB 4.02Å; R108-D115 IonicContact CZ-OD1 2.67Å; R108-D115 IonicContact CZ-OD2 3.48Å; R108-D115 IonicContact NH1-OD1 3.94Å; R108-D115 PolarHBondContact NH1-OD1 2.92Å; R108-D115 IonicContact NH1-OD2 3.52Å; R108-D115 PolarHBondContact NH1-OD2 3.16Å; R108-D115 IonicContact NH2-OD1 3.47Å; R108-D115 PolarHBondContact NH2-OD1 2.89Å; R108-D115 IonicContact NH2-OD2 2.72Å; R108-D115 PolarHBondContact NH2-OD2 3.01Å; V112-D115 PolarHBondContact N-OD2 3.38Å; V112-D115 VanDerWaalsContact O-CB 3.29Å; V112-D115 WeakPolarHBondContact O-CB 3.46Å; V112-D115 PolarHBondContact O-N 3.3Å; A113-D115 VanDerWaalsContact C-N 3.29Å; A113-D115 PolarHBondContact O-N 3.44Å; D115-M118 PolarHBondContact O-N 3.49Å; D115-A119 WeakPolarHBondContact O-CB 3.37Å; D115-A119 PolarHBondContact O-N 3.39Å
116	I	91.7	Very high	87.5	Confident	56 Å²	56	90.3 Å²	90.3	29%	0.287	47%	0.471	S	S	.	.	H	α-helix	trans	-65	-49.7	176.3	-59.6	174.8	0	0	0	109.3	L95 T99 A113 K114 M118 A119 Q120	L95-I116 HydrophobicContact CD1-CG2 4.26Å; L95-I116 HydrophobicContact CD2-CG2 4.13Å; L95-I116 HydrophobicContact CG-CG2 4.41Å; T99-I116 HydrophobicContact CG2-CG1 3.59Å; A113-I116 PolarHBondContact O-N 3.32Å; K114-I116 VanDerWaalsContact C-N 3.35Å; I116-M118 VanDerWaalsContact C-N 3.26Å; I116-M118 PolarHBondContact O-N 3.36Å; I116-A119 PolarHBondContact O-N 3.01Å; I116-A119 VanDerWaalsContact O-N 3.16Å; I116-Q120 HydrophobicContact CG2-CG 4.48Å; I116-Q120 WeakPolarHBondContact O-CG 3.42Å; I116-Q120 PolarHBondContact O-N 3.46Å
117	Q	90.9	Very high	85.7	Confident	96 Å²	96	91.1 Å²	91.1	45%	0.449	47%	0.474	S	S	.	.	H	α-helix	trans	-58.5	-40.3	177.1	-68	173.4	5.3	0	0	111.8	A113 R121	A113-Q117 WeakPolarHBondContact O-CG 3.25Å; A113-Q117 PolarHBondContact O-N 2.97Å; A113-Q117 VanDerWaalsContact O-N 3.13Å; Q117-R121 WeakPolarHBondContact O-CB 3.35Å; Q117-R121 WeakPolarHBondContact O-CG 3.18Å; Q117-R121 PolarHBondContact O-N 3.35Å; Q117-R121 VanDerWaalsContact O-N 3.1Å
118	M	87.9	Confident	83.8	Confident	96 Å²	96	87.4 Å²	87.4	47%	0.473	47%	0.471	S	S	.	.	H	α-helix	trans	-65.1	-46.2	176.1	-171.5	68.1	-177.7	0	0	111.5	K114 D115 I116 Q120 R121 I122	K114-M118 WeakPolarHBondContact O-CB 3.36Å; K114-M118 PolarHBondContact O-N 2.95Å; D115-M118 PolarHBondContact O-N 3.49Å; I116-M118 VanDerWaalsContact C-N 3.26Å; I116-M118 PolarHBondContact O-N 3.36Å; M118-Q120 PolarHBondContact O-N 3.14Å; M118-R121 PolarHBondContact O-N 3.47Å; M118-I122 HydrophobicContact CE-CD1 4.03Å; M118-I122 HydrophobicContact CE-CG1 4.31Å; M118-I122 HydrophobicContact CG-CD1 4.07Å; M118-I122 WeakPolarHBondContact O-CG1 3.38Å; M118-I122 PolarHBondContact O-N 2.97Å
119	A	89.6	Confident	81.4	Confident	1 Å²	1	89.7 Å²	89.7	1%	0.008	48%	0.484	C	S	.	.	H	α-helix	trans	-59	-48.3	178	0	0	0	0	0	111.3	L95 D115 I116 R121 I122 H123	L95-A119 HydrophobicContact CD1-CB 4.23Å; D115-A119 WeakPolarHBondContact O-CB 3.37Å; D115-A119 PolarHBondContact O-N 3.39Å; I116-A119 PolarHBondContact O-N 3.01Å; I116-A119 VanDerWaalsContact O-N 3.16Å; A119-R121 VanDerWaalsContact C-N 3.33Å; A119-R121 PolarHBondContact O-N 3.02Å; A119-I122 PolarHBondContact O-N 2.97Å; A119-I122 VanDerWaalsContact O-N 3.15Å; A119-H123 PolarHBondContact O-CD2 3.21Å; A119-H123 PolarHBondContact O-N 3.32Å
120	Q	89.9	Confident	79.2	Confident	36 Å²	36	92.2 Å²	92.2	17%	0.168	49%	0.486	C	S	.	.	H	α-helix	trans	-59.4	-43	177.9	-68.5	-174.7	-59.8	0	0	112.3	L95 I116 M118 I122 H123 G124 E125	L95-Q120 HydrophobicContact CD1-CG 3.57Å; I116-Q120 HydrophobicContact CG2-CG 4.48Å; I116-Q120 WeakPolarHBondContact O-CG 3.42Å; I116-Q120 PolarHBondContact O-N 3.46Å; M118-Q120 PolarHBondContact O-N 3.14Å; Q120-I122 VanDerWaalsContact C-N 3.34Å; Q120-I122 PolarHBondContact O-N 2.94Å; Q120-H123 PolarHBondContact O-N 2.9Å; Q120-G124 PolarHBondContact O-N 3.28Å; Q120-G124 VanDerWaalsContact O-N 3.13Å; Q120-E125 HydrophobicContact CB-CB 4.32Å; Q120-E125 PolarHBondContact O-N 2.97Å
121	R	88.2	Confident	76.8	Confident	177 Å²	177	96.2 Å²	96.2	67%	0.668	50%	0.497	S	S	*	.	H	α-helix	trans	-61.2	-39.9	175.9	-73.4	171.8	-169.8	-179.6	3.4	112.7	Q117 M118 A119 G124	Q117-R121 WeakPolarHBondContact O-CB 3.35Å; Q117-R121 WeakPolarHBondContact O-CG 3.18Å; Q117-R121 PolarHBondContact O-N 3.35Å; Q117-R121 VanDerWaalsContact O-N 3.1Å; M118-R121 PolarHBondContact O-N 3.47Å; A119-R121 VanDerWaalsContact C-N 3.33Å; A119-R121 PolarHBondContact O-N 3.02Å; R121-G124 PolarHBondContact O-N 3.36Å
122	I	84.5	Confident	74.5	Confident	115 Å²	115	97.7 Å²	97.7	59%	0.59	50%	0.503	S	S	*	.	H	α-helix	trans	-68.9	-39	177.7	-66.3	166.4	0	0	0	110.9	M118 A119 Q120 G124	M118-I122 HydrophobicContact CE-CD1 4.03Å; M118-I122 HydrophobicContact CE-CG1 4.31Å; M118-I122 HydrophobicContact CG-CD1 4.07Å; M118-I122 WeakPolarHBondContact O-CG1 3.38Å; M118-I122 PolarHBondContact O-N 2.97Å; A119-I122 PolarHBondContact O-N 2.97Å; A119-I122 VanDerWaalsContact O-N 3.15Å; Q120-I122 VanDerWaalsContact C-N 3.34Å; Q120-I122 PolarHBondContact O-N 2.94Å; I122-G124 PolarHBondContact O-N 2.87Å
123	H	82.9	Confident	72.4	Confident	116 Å²	116	101.5 Å²	101.5	54%	0.537	52%	0.521	S	S	.	.	H	α-helix	trans	-71	-11.1	177.7	-78.7	-72.3	0	0	0	113.7	A119 Q120 E125	A119-H123 PolarHBondContact O-CD2 3.21Å; A119-H123 PolarHBondContact O-N 3.32Å; Q120-H123 PolarHBondContact O-N 2.9Å; H123-E125 VanDerWaalsContact C-N 3.26Å; H123-E125 HydrophobicContact CB-CG 4.31Å
124	G	75	Confident	70.7	Confident	62 Å²	62	104.1 Å²	104.1	64%	0.639	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	17.9	-175.2	0	0	0	0	0	113	Q120 R121 I122	Q120-G124 PolarHBondContact O-N 3.28Å; Q120-G124 VanDerWaalsContact O-N 3.13Å; R121-G124 PolarHBondContact O-N 3.36Å; I122-G124 PolarHBondContact O-N 2.87Å
125	E	66.9	Low	69.2	Low	60 Å²	60	98.9 Å²	98.9	28%	0.28	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-75.7	125.3	173	-71.1	-177.3	177.5	0	0	108.9	Y91 Q120 H123 A127	Y91-E125 WeakPolarHBondContact CE2-OE1 3.41Å; Y91-E125 PolarHBondContact OH-OE2 3.48Å; Q120-E125 HydrophobicContact CB-CB 4.32Å; Q120-E125 PolarHBondContact O-N 2.97Å; H123-E125 VanDerWaalsContact C-N 3.26Å; H123-E125 HydrophobicContact CB-CG 4.31Å; E125-A127 PolarHBondContact O-N 3.29Å; E125-A127 VanDerWaalsContact O-N 3.16Å
126	P	55.4	Low	68	Low	89 Å²	89	107 Å²	107	58%	0.578	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-59.8	125.5	173.2	25.3	-31.2	0	0	0	107.2	L128	P126-L128 PolarHBondContact O-N 3.01Å
127	A	53.3	Low	67.1	Low	56 Å²	56	111 Å²	111	46%	0.463	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-54.6	117.9	165.3	0	0	0	0	0	105.1	E125 K129	E125-A127 PolarHBondContact O-N 3.29Å; E125-A127 VanDerWaalsContact O-N 3.16Å; A127-K129 PolarHBondContact O-N 3.27Å
128	L	53.4	Low	66.3	Low	162 Å²	162	112.4 Å²	112.4	85%	0.848	57%	0.573	S	S	*	*			trans	-58.9	77.1	178.5	-63.3	173.4	0	0	0	109.1	P126	P126-L128 PolarHBondContact O-N 3.01Å
129	K	46.1	Very low	65.8	Low	139 Å²	139	110.5 Å²	110.5	60%	0.604	57%	0.567	S	S	*	*			trans	-79.6	121.9	158	-75.7	161.7	170.6	-177.7	0	103.7	A127 E131 E132	A127-K129 PolarHBondContact O-N 3.27Å; K129-E131 PolarHBondContact O-N 3.12Å; K129-E132 HydrophobicContact CB-CG 4.01Å; K129-E132 HydrophobicContact CD-CG 4.33Å; K129-E132 WeakPolarHBondContact CD-OE1 3.46Å; K129-E132 IonicContact NZ-OE1 3.71Å; K129-E132 PolarHBondContact NZ-OE1 3.45Å
130	E	48.1	Very low	65.4	Low	192 Å²	192	113.6 Å²	113.6	90%	0.897	58%	0.581	S	S	*	*	S	Bend	trans	-45.6	120.9	167.8	-58	-179.1	163.6	0	0	107.5
131	E	45.5	Very low	65.1	Low	190 Å²	190	115.1 Å²	115.1	89%	0.888	59%	0.593	S	S	*	*			trans	56.2	76.9	-177	-55.8	-160.2	164.8	0	0	115.6	K129	K129-E131 PolarHBondContact O-N 3.12Å
132	E	46.7	Very low	64.9	Low	107 Å²	107	114.9 Å²	114.9	50%	0.5	59%	0.593	S	S	.	*			trans	-98.9	105.2	155.2	-77.9	-172.8	160.1	0	0	107.9	K129 I134	K129-E132 HydrophobicContact CB-CG 4.01Å; K129-E132 HydrophobicContact CD-CG 4.33Å; K129-E132 WeakPolarHBondContact CD-OE1 3.46Å; K129-E132 IonicContact NZ-OE1 3.71Å; K129-E132 PolarHBondContact NZ-OE1 3.45Å; E132-I134 PolarHBondContact O-N 3.24Å
133	D	50	Low	65.1	Low	150 Å²	150	115.1 Å²	115.1	80%	0.802	59%	0.587	S	S	*	*			trans	-31.2	123.5	164.3	-70.5	-48.2	0	0	0	109.8	A135	D133-A135 PolarHBondContact O-N 3.46Å
134	I	56.7	Low	65.4	Low	117 Å²	117	114.5 Å²	114.5	60%	0.6	58%	0.584	S	S	*	*			trans	-52.6	115.5	158.1	-59.7	160.5	0	0	0	103.4	E132 E136 E138 V139	E132-I134 PolarHBondContact O-N 3.24Å; I134-E136 PolarHBondContact O-N 3.03Å; I134-E138 HydrophobicContact CG2-CB 4.1Å; I134-V139 HydrophobicContact CB-CG2 3.8Å; I134-V139 HydrophobicContact CD1-CG2 4.47Å; I134-V139 HydrophobicContact CG2-CG2 3.43Å; I134-V139 VanDerWaalsContact CG2-CG2 3.43Å
135	A	58.8	Low	66.2	Low	52 Å²	52	116.2 Å²	116.2	43%	0.43	58%	0.575	S	S	.	*			trans	-45.4	121	-172.7	0	0	0	0	0	107.2	D133 H137 E138	D133-A135 PolarHBondContact O-N 3.46Å; A135-H137 CarbonylContact O-C 3.5Å; A135-H137 PolarHBondContact O-N 3.29Å; A135-E138 HydrophobicContact CB-CG 4.44Å; A135-E138 PolarHBondContact O-N 3.18Å
136	E	66.3	Low	67.3	Low	177 Å²	177	118.5 Å²	118.5	83%	0.827	59%	0.589	S	S	*	*	H	α-helix	trans	-47	-31.7	-171.3	-114.1	171.7	171.9	0	0	111.7	I134 E140	I134-E136 PolarHBondContact O-N 3.03Å; E136-E140 WeakPolarHBondContact O-CB 3.38Å; E136-E140 PolarHBondContact O-N 2.97Å
137	H	73.6	Confident	69	Low	140 Å²	140	119.5 Å²	119.5	65%	0.648	59%	0.586	S	S	*	*	H	α-helix	trans	-62.1	-41.3	173	-170.8	-81.1	0	0	0	115.4	A135 E140 V141	A135-H137 CarbonylContact O-C 3.5Å; A135-H137 PolarHBondContact O-N 3.29Å; H137-E140 PolarHBondContact O-N 2.88Å; H137-V141 VanDerWaalsContact CE1-CG2 3.44Å; H137-V141 WeakPolarHBondContact CE1-CG2 3.46Å; H137-V141 WeakPolarHBondContact O-CB 3.39Å; H137-V141 WeakPolarHBondContact O-CG2 3.32Å; H137-V141 PolarHBondContact O-N 3.42Å
138	E	73.6	Confident	70.8	Confident	126 Å²	126	123.5 Å²	123.5	59%	0.589	60%	0.597	S	S	*	*	H	α-helix	trans	-66.2	-41.2	176.9	-70.7	-172.2	174.8	0	0	111.6	I134 A135 Y142	I134-E138 HydrophobicContact CG2-CB 4.1Å; A135-E138 HydrophobicContact CB-CG 4.44Å; A135-E138 PolarHBondContact O-N 3.18Å; E138-Y142 PolarHBondContact O-N 3.29Å
139	V	78.3	Confident	72.6	Confident	57 Å²	57	119.8 Å²	119.8	35%	0.345	58%	0.577	S	S	.	*	H	α-helix	trans	-64.9	-42.8	173.7	-176.6	0	0	0	0	110.4	I134 Y142 R143	I134-V139 HydrophobicContact CB-CG2 3.8Å; I134-V139 HydrophobicContact CD1-CG2 4.47Å; I134-V139 HydrophobicContact CG2-CG2 3.43Å; I134-V139 VanDerWaalsContact CG2-CG2 3.43Å; V139-Y142 PolarHBondContact O-N 2.97Å; V139-R143 WeakPolarHBondContact O-CB 3.41Å; V139-R143 PolarHBondContact O-N 3.38Å
140	E	80.4	Confident	74.7	Confident	65 Å²	65	119.2 Å²	119.2	30%	0.304	58%	0.577	S	S	.	*	H	α-helix	trans	-64.7	-41	179.5	-175.4	58.9	-156.2	0	0	112.3	E136 H137 Y142 R143 Q144	E136-E140 WeakPolarHBondContact O-CB 3.38Å; E136-E140 PolarHBondContact O-N 2.97Å; H137-E140 PolarHBondContact O-N 2.88Å; E140-Y142 VanDerWaalsContact C-N 3.34Å; E140-Y142 PolarHBondContact O-N 3.45Å; E140-R143 PolarHBondContact O-N 2.92Å; E140-R143 IonicContact OE2-CZ 3.65Å; E140-R143 IonicContact OE2-NH1 2.63Å; E140-R143 PolarHBondContact OE2-NH1 3.36Å; E140-Q144 HydrophobicContact CG-CG 4.46Å; E140-Q144 WeakPolarHBondContact O-CB 3.48Å; E140-Q144 VanDerWaalsContact O-CG 3.28Å; E140-Q144 WeakPolarHBondContact O-CG 3.4Å; E140-Q144 PolarHBondContact O-N 2.94Å; E140-Q144 PolarHBondContact OE1-NE2 2.92Å
141	V	83.9	Confident	76.7	Confident	69 Å²	69	113.8 Å²	113.8	42%	0.418	56%	0.556	S	S	.	*	H	α-helix	trans	-61.4	-43.7	175	168.9	0	0	0	0	111	H137 H145	H137-V141 VanDerWaalsContact CE1-CG2 3.44Å; H137-V141 WeakPolarHBondContact CE1-CG2 3.46Å; H137-V141 WeakPolarHBondContact O-CB 3.39Å; H137-V141 WeakPolarHBondContact O-CG2 3.32Å; H137-V141 PolarHBondContact O-N 3.42Å; V141-H145 WeakPolarHBondContact O-CB 3.43Å; V141-H145 PolarHBondContact O-N 3.5Å
142	Y	84.1	Confident	78.8	Confident	171 Å²	171	107.3 Å²	107.3	67%	0.671	53%	0.528	S	S	*	.	H	α-helix	trans	-65.4	-41.6	175.5	-101.2	-79.9	0	0	0	112.2	E138 V139 E140 H145 L146	E138-Y142 PolarHBondContact O-N 3.29Å; V139-Y142 PolarHBondContact O-N 2.97Å; E140-Y142 VanDerWaalsContact C-N 3.34Å; E140-Y142 PolarHBondContact O-N 3.45Å; Y142-H145 PolarHBondContact O-N 3.43Å; Y142-L146 WeakPolarHBondContact O-CG 3.19Å; Y142-L146 PolarHBondContact O-N 2.87Å
143	R	88.6	Confident	80.9	Confident	121 Å²	121	107.3 Å²	107.3	46%	0.457	53%	0.526	S	S	.	.	H	α-helix	trans	-58.6	-51.9	175.2	179.5	-171.8	-75.4	123.6	-2.6	110.7	V139 E140 H145 L146 E147	V139-R143 WeakPolarHBondContact O-CB 3.41Å; V139-R143 PolarHBondContact O-N 3.38Å; E140-R143 PolarHBondContact O-N 2.92Å; E140-R143 IonicContact OE2-CZ 3.65Å; E140-R143 IonicContact OE2-NH1 2.63Å; E140-R143 PolarHBondContact OE2-NH1 3.36Å; R143-H145 VanDerWaalsContact C-N 3.29Å; R143-H145 PolarHBondContact O-N 2.99Å; R143-L146 PolarHBondContact O-N 3.39Å; R143-E147 WeakPolarHBondContact O-CG 3.44Å; R143-E147 PolarHBondContact O-N 2.95Å
144	Q	89.3	Confident	82.8	Confident	103 Å²	103	102.8 Å²	102.8	48%	0.481	50%	0.504	S	S	.	.	H	α-helix	trans	-60.6	-38.4	179.1	-72.5	175.5	6.7	0	0	112.3	E140 E147 M148	E140-Q144 HydrophobicContact CG-CG 4.46Å; E140-Q144 WeakPolarHBondContact O-CB 3.48Å; E140-Q144 VanDerWaalsContact O-CG 3.28Å; E140-Q144 WeakPolarHBondContact O-CG 3.4Å; E140-Q144 PolarHBondContact O-N 2.94Å; E140-Q144 PolarHBondContact OE1-NE2 2.92Å; Q144-E147 PolarHBondContact O-N 3.34Å; Q144-M148 WeakPolarHBondContact O-CB 3.28Å; Q144-M148 PolarHBondContact O-N 2.92Å
145	H	90.6	Very high	84.2	Confident	98 Å²	98	103.9 Å²	103.9	45%	0.454	51%	0.507	S	S	.	.	H	α-helix	trans	-65.5	-43.7	176	-176.1	60	0	0	0	112.3	V141 Y142 R143 M148 L149	V141-H145 WeakPolarHBondContact O-CB 3.43Å; V141-H145 PolarHBondContact O-N 3.5Å; Y142-H145 PolarHBondContact O-N 3.43Å; R143-H145 VanDerWaalsContact C-N 3.29Å; R143-H145 PolarHBondContact O-N 2.99Å; H145-M148 PolarHBondContact O-N 3.09Å; H145-L149 WeakPolarHBondContact NE2-CD1 3.31Å; H145-L149 WeakPolarHBondContact O-CG 3.26Å; H145-L149 PolarHBondContact O-N 3.25Å
146	L	91.4	Very high	85.7	Confident	108 Å²	108	109.5 Å²	109.5	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-65.8	-38.7	176.2	-71.8	172	0	0	0	111.9	Y142 R143 L149 H150	Y142-L146 WeakPolarHBondContact O-CG 3.19Å; Y142-L146 PolarHBondContact O-N 2.87Å; R143-L146 PolarHBondContact O-N 3.39Å; L146-L149 PolarHBondContact O-N 3.39Å; L146-H150 WeakPolarHBondContact O-CB 3.46Å; L146-H150 PolarHBondContact O-N 2.87Å
147	E	91.4	Very high	86.6	Confident	110 Å²	110	105 Å²	105	51%	0.514	49%	0.494	S	S	.	.	H	α-helix	trans	-63.8	-45	174	-75.9	176.7	-175.4	0	0	111.4	R143 Q144 L149 H150 V151	R143-E147 WeakPolarHBondContact O-CG 3.44Å; R143-E147 PolarHBondContact O-N 2.95Å; Q144-E147 PolarHBondContact O-N 3.34Å; E147-L149 PolarHBondContact O-N 2.68Å; E147-H150 PolarHBondContact O-N 2.93Å; E147-V151 WeakPolarHBondContact O-CG2 3.33Å; E147-V151 PolarHBondContact O-N 2.94Å
148	M	89.9	Confident	87.2	Confident	139 Å²	139	101 Å²	101	69%	0.685	48%	0.483	S	S	*	.	H	α-helix	trans	-59.6	-45.5	175.3	-179.9	-173.1	-106.2	0	0	111.5	Q144 H145 H150 V151 D152	Q144-M148 WeakPolarHBondContact O-CB 3.28Å; Q144-M148 PolarHBondContact O-N 2.92Å; H145-M148 PolarHBondContact O-N 3.09Å; M148-H150 VanDerWaalsContact C-N 3.33Å; M148-H150 PolarHBondContact O-N 3.4Å; M148-V151 PolarHBondContact O-N 3.18Å; M148-D152 WeakPolarHBondContact O-CB 3.45Å; M148-D152 PolarHBondContact O-N 3.4Å
149	L	90.4	Very high	87.7	Confident	84 Å²	84	99.8 Å²	99.8	44%	0.44	48%	0.48	S	S	.	.	H	α-helix	trans	-63.2	-38.9	176.1	-76.4	173.8	0	0	0	112.1	H145 L146 E147 F153	H145-L149 WeakPolarHBondContact NE2-CD1 3.31Å; H145-L149 WeakPolarHBondContact O-CG 3.26Å; H145-L149 PolarHBondContact O-N 3.25Å; L146-L149 PolarHBondContact O-N 3.39Å; E147-L149 PolarHBondContact O-N 2.68Å; L149-F153 VanDerWaalsContact O-CB 3.23Å; L149-F153 WeakPolarHBondContact O-CB 3.33Å; L149-F153 PolarHBondContact O-N 3.29Å
150	H	90.4	Very high	87.9	Confident	128 Å²	128	101.8 Å²	101.8	59%	0.593	49%	0.488	S	S	*	.	H	α-helix	trans	-66.9	-42	178	-177.1	-85.6	0	0	0	111.9	L146 E147 M148 F153 T154	L146-H150 WeakPolarHBondContact O-CB 3.46Å; L146-H150 PolarHBondContact O-N 2.87Å; E147-H150 PolarHBondContact O-N 2.93Å; M148-H150 VanDerWaalsContact C-N 3.33Å; M148-H150 PolarHBondContact O-N 3.4Å; H150-F153 PolarHBondContact O-N 3.4Å; H150-T154 PolarHBondContact CE1-OG1 3.27Å; H150-T154 WeakPolarHBondContact O-CB 3.49Å; H150-T154 PolarHBondContact O-N 3.44Å; H150-T154 PolarHBondContact O-OG1 3.02Å
151	V	91	Very high	87.9	Confident	78 Å²	78	103.1 Å²	103.1	47%	0.473	50%	0.497	S	S	.	.	H	α-helix	trans	-61.9	-50.5	174.4	172.4	0	0	0	0	110	E147 M148 F153 T154 E155	E147-V151 WeakPolarHBondContact O-CG2 3.33Å; E147-V151 PolarHBondContact O-N 2.94Å; M148-V151 PolarHBondContact O-N 3.18Å; V151-F153 VanDerWaalsContact C-N 3.32Å; V151-F153 PolarHBondContact O-N 2.86Å; V151-T154 PolarHBondContact O-N 3.5Å; V151-T154 VanDerWaalsContact O-N 3.12Å; V151-E155 HydrophobicContact CG1-CG 4.48Å; V151-E155 WeakPolarHBondContact O-CG 3.47Å; V151-E155 PolarHBondContact O-N 3.03Å
152	D	90	Very high	87.6	Confident	53 Å²	53	106.1 Å²	106.1	28%	0.283	51%	0.51	S	S	.	.	H	α-helix	trans	-61.7	-38.3	179.5	-177.6	55.3	0	0	0	112.2	M148 R156	M148-D152 WeakPolarHBondContact O-CB 3.45Å; M148-D152 PolarHBondContact O-N 3.4Å; D152-R156 VanDerWaalsContact CG-CZ 3.44Å; D152-R156 VanDerWaalsContact O-CB 3.31Å; D152-R156 WeakPolarHBondContact O-CB 3.4Å; D152-R156 VanDerWaalsContact O-CG 3.23Å; D152-R156 WeakPolarHBondContact O-CG 3.31Å; D152-R156 PolarHBondContact O-N 3.13Å; D152-R156 IonicContact OD1-CZ 3.18Å; D152-R156 IonicContact OD1-NE 2.84Å; D152-R156 PolarHBondContact OD1-NE 2.87Å; D152-R156 IonicContact OD1-NH2 2.86Å; D152-R156 PolarHBondContact OD1-NH2 3.27Å; D152-R156 IonicContact OD2-CZ 2.94Å; D152-R156 IonicContact OD2-NE 3.27Å; D152-R156 PolarHBondContact OD2-NE 2.96Å; D152-R156 IonicContact OD2-NH1 3.57Å; D152-R156 IonicContact OD2-NH2 2.7Å; D152-R156 PolarHBondContact OD2-NH2 3.47Å
153	F	89.8	Confident	87.4	Confident	107 Å²	107	103.5 Å²	103.5	47%	0.469	51%	0.507	S	S	.	.	H	α-helix	trans	-65.5	-44	173.2	-174.9	-90.1	0	0	0	111.8	L149 H150 V151 R156 F157 L161	L149-F153 VanDerWaalsContact O-CB 3.23Å; L149-F153 WeakPolarHBondContact O-CB 3.33Å; L149-F153 PolarHBondContact O-N 3.29Å; H150-F153 PolarHBondContact O-N 3.4Å; V151-F153 VanDerWaalsContact C-N 3.32Å; V151-F153 PolarHBondContact O-N 2.86Å; F153-R156 PolarHBondContact O-N 3.38Å; F153-F157 HydrophobicContact CD1-CD2 4.22Å; F153-F157 AromaticContact CD2-CD2 3.42Å; F153-F157 HydrophobicContact CD2-CD2 3.42Å; F153-F157 VanDerWaalsContact CD2-CD2 3.42Å; F153-F157 AromaticContact CD2-CE2 3.53Å; F153-F157 HydrophobicContact CD2-CE2 3.53Å; F153-F157 HydrophobicContact CE1-CD2 4.19Å; F153-F157 AromaticContact CE2-CD2 3.38Å; F153-F157 HydrophobicContact CE2-CD2 3.38Å; F153-F157 AromaticContact CE2-CE2 3.47Å; F153-F157 HydrophobicContact CE2-CE2 3.47Å; F153-F157 VanDerWaalsContact CE2-CE2 3.47Å; F153-F157 HydrophobicContact CE2-CG 4.34Å; F153-F157 HydrophobicContact CE2-CZ 4.46Å; F153-F157 AromaticContact CG-CD2 3.85Å; F153-F157 HydrophobicContact CG-CD2 3.85Å; F153-F157 HydrophobicContact CG-CE2 4.37Å; F153-F157 AromaticContact CZ-CD2 3.79Å; F153-F157 HydrophobicContact CZ-CD2 3.79Å; F153-F157 HydrophobicContact CZ-CE2 4.27Å; F153-F157 HydrophobicContact CZ-CG 4.37Å; F153-F157 WeakPolarHBondContact O-CB 3.41Å; F153-F157 WeakPolarHBondContact O-CD2 3.44Å; F153-F157 PolarHBondContact O-N 2.85Å; F153-L161 HydrophobicContact CD1-CD1 4.49Å; F153-L161 HydrophobicContact CE1-CD1 4.45Å; F153-L161 HydrophobicContact CE1-CD2 4.32Å
154	T	89.3	Confident	86.9	Confident	56 Å²	56	107.4 Å²	107.4	34%	0.344	53%	0.528	S	S	.	.	H	α-helix	trans	-67.4	-37.8	-178.4	-55	0	0	0	0	111.7	H150 V151 S158 L161	H150-T154 PolarHBondContact CE1-OG1 3.27Å; H150-T154 WeakPolarHBondContact O-CB 3.49Å; H150-T154 PolarHBondContact O-N 3.44Å; H150-T154 PolarHBondContact O-OG1 3.02Å; V151-T154 PolarHBondContact O-N 3.5Å; V151-T154 VanDerWaalsContact O-N 3.12Å; T154-S158 VanDerWaalsContact O-CA 3.31Å; T154-S158 WeakPolarHBondContact O-CA 3.36Å; T154-S158 WeakPolarHBondContact O-CB 3.29Å; T154-S158 PolarHBondContact O-N 3.49Å; T154-S158 VanDerWaalsContact O-N 3.08Å; T154-L161 HydrophobicContact CG2-CD1 4.04Å
155	E	88	Confident	86.3	Confident	140 Å²	140	107 Å²	107	65%	0.654	53%	0.528	S	S	*	.	H	α-helix	trans	-68.9	-48.7	175.4	-72.5	-174.1	172.6	0	0	111.5	V151 F157 S158	V151-E155 HydrophobicContact CG1-CG 4.48Å; V151-E155 WeakPolarHBondContact O-CG 3.47Å; V151-E155 PolarHBondContact O-N 3.03Å; E155-F157 VanDerWaalsContact C-N 3.34Å; E155-F157 PolarHBondContact O-N 3.1Å; E155-S158 PolarHBondContact O-N 2.84Å
156	R	88.4	Confident	85.6	Confident	170 Å²	170	105.4 Å²	105.4	64%	0.642	53%	0.526	S	S	*	.	H	α-helix	trans	-66.3	-34	-177.8	-73.8	-177.8	-162.2	179.1	6.9	113.7	D152 F153	D152-R156 VanDerWaalsContact CG-CZ 3.44Å; D152-R156 VanDerWaalsContact O-CB 3.31Å; D152-R156 WeakPolarHBondContact O-CB 3.4Å; D152-R156 VanDerWaalsContact O-CG 3.23Å; D152-R156 WeakPolarHBondContact O-CG 3.31Å; D152-R156 PolarHBondContact O-N 3.13Å; D152-R156 IonicContact OD1-CZ 3.18Å; D152-R156 IonicContact OD1-NE 2.84Å; D152-R156 PolarHBondContact OD1-NE 2.87Å; D152-R156 IonicContact OD1-NH2 2.86Å; D152-R156 PolarHBondContact OD1-NH2 3.27Å; D152-R156 IonicContact OD2-CZ 2.94Å; D152-R156 IonicContact OD2-NE 3.27Å; D152-R156 PolarHBondContact OD2-NE 2.96Å; D152-R156 IonicContact OD2-NH1 3.57Å; D152-R156 IonicContact OD2-NH2 2.7Å; D152-R156 PolarHBondContact OD2-NH2 3.47Å; F153-R156 PolarHBondContact O-N 3.38Å
157	F	86.9	Confident	84.5	Confident	81 Å²	81	107 Å²	107	36%	0.355	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	23	-177.2	-61.9	-70.1	0	0	0	112.2	F153 E155 D159 I160 L161	F153-F157 HydrophobicContact CD1-CD2 4.22Å; F153-F157 AromaticContact CD2-CD2 3.42Å; F153-F157 HydrophobicContact CD2-CD2 3.42Å; F153-F157 VanDerWaalsContact CD2-CD2 3.42Å; F153-F157 AromaticContact CD2-CE2 3.53Å; F153-F157 HydrophobicContact CD2-CE2 3.53Å; F153-F157 HydrophobicContact CE1-CD2 4.19Å; F153-F157 AromaticContact CE2-CD2 3.38Å; F153-F157 HydrophobicContact CE2-CD2 3.38Å; F153-F157 AromaticContact CE2-CE2 3.47Å; F153-F157 HydrophobicContact CE2-CE2 3.47Å; F153-F157 VanDerWaalsContact CE2-CE2 3.47Å; F153-F157 HydrophobicContact CE2-CG 4.34Å; F153-F157 HydrophobicContact CE2-CZ 4.46Å; F153-F157 AromaticContact CG-CD2 3.85Å; F153-F157 HydrophobicContact CG-CD2 3.85Å; F153-F157 HydrophobicContact CG-CE2 4.37Å; F153-F157 AromaticContact CZ-CD2 3.79Å; F153-F157 HydrophobicContact CZ-CD2 3.79Å; F153-F157 HydrophobicContact CZ-CE2 4.27Å; F153-F157 HydrophobicContact CZ-CG 4.37Å; F153-F157 WeakPolarHBondContact O-CB 3.41Å; F153-F157 WeakPolarHBondContact O-CD2 3.44Å; F153-F157 PolarHBondContact O-N 2.85Å; E155-F157 VanDerWaalsContact C-N 3.34Å; E155-F157 PolarHBondContact O-N 3.1Å; F157-D159 PolarHBondContact O-N 3.47Å; F157-I160 HydrophobicContact CB-CB 4.31Å; F157-I160 HydrophobicContact CD1-CD1 3.58Å; F157-I160 HydrophobicContact CD1-CG1 4.24Å; F157-I160 HydrophobicContact CE1-CD1 4.17Å; F157-I160 PolarHBondContact O-N 2.95Å; F157-L161 HydrophobicContact CB-CG 4.46Å; F157-L161 WeakPolarHBondContact O-CB 3.43Å; F157-L161 WeakPolarHBondContact O-CG 3.47Å; F157-L161 PolarHBondContact O-N 3.28Å
158	S	85.8	Confident	83.7	Confident	57 Å²	57	111 Å²	111	40%	0.399	54%	0.541	S	S	.	.	H	α-helix	trans	-57.8	-33	-179.2	74.4	0	0	0	0	112.5	T154 E155 N162	T154-S158 VanDerWaalsContact O-CA 3.31Å; T154-S158 WeakPolarHBondContact O-CA 3.36Å; T154-S158 WeakPolarHBondContact O-CB 3.29Å; T154-S158 PolarHBondContact O-N 3.49Å; T154-S158 VanDerWaalsContact O-N 3.08Å; E155-S158 PolarHBondContact O-N 2.84Å; S158-N162 VanDerWaalsContact O-CB 3.27Å; S158-N162 WeakPolarHBondContact O-CB 3.37Å; S158-N162 VanDerWaalsContact O-CG 3.26Å; S158-N162 PolarHBondContact O-N 3.33Å; S158-N162 VanDerWaalsContact O-N 3.15Å; S158-N162 PolarHBondContact O-ND2 2.91Å
159	D	84.7	Confident	83.1	Confident	101 Å²	101	108.8 Å²	108.8	54%	0.54	54%	0.535	S	S	.	.	H	α-helix	trans	-64	-48.8	173.1	59.4	-27.7	0	0	0	111.2	F157 N162 L163	F157-D159 PolarHBondContact O-N 3.47Å; D159-N162 PolarHBondContact O-N 3.14Å; D159-L163 WeakPolarHBondContact O-CD1 3.07Å; D159-L163 PolarHBondContact O-N 3.28Å
160	I	82.4	Confident	82.5	Confident	99 Å²	99	109.5 Å²	109.5	51%	0.508	54%	0.538	S	S	.	.	H	α-helix	trans	-67.8	-42.7	179.5	-53.7	-170.1	0	0	0	111.7	F157 N162 L163	F157-I160 HydrophobicContact CB-CB 4.31Å; F157-I160 HydrophobicContact CD1-CD1 3.58Å; F157-I160 HydrophobicContact CD1-CG1 4.24Å; F157-I160 HydrophobicContact CE1-CD1 4.17Å; F157-I160 PolarHBondContact O-N 2.95Å; I160-N162 VanDerWaalsContact C-N 3.27Å; I160-N162 PolarHBondContact O-N 3.03Å; I160-L163 WeakPolarHBondContact O-CB 3.42Å; I160-L163 PolarHBondContact O-N 2.96Å; I160-L163 VanDerWaalsContact O-N 3.17Å
161	L	79.7	Confident	81.7	Confident	93 Å²	93	107.5 Å²	107.5	49%	0.487	53%	0.532	S	S	.	.	H	α-helix	trans	-68.2	-28.8	-178.6	-68.3	176	0	0	0	112.4	F153 T154 F157 L163	F153-L161 HydrophobicContact CD1-CD1 4.49Å; F153-L161 HydrophobicContact CE1-CD1 4.45Å; F153-L161 HydrophobicContact CE1-CD2 4.32Å; T154-L161 HydrophobicContact CG2-CD1 4.04Å; F157-L161 HydrophobicContact CB-CG 4.46Å; F157-L161 WeakPolarHBondContact O-CB 3.43Å; F157-L161 WeakPolarHBondContact O-CG 3.47Å; F157-L161 PolarHBondContact O-N 3.28Å; L161-L163 VanDerWaalsContact C-N 3.33Å
162	N	78.2	Confident	80.7	Confident	131 Å²	131	108.4 Å²	108.4	70%	0.701	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-1.1	175.7	-72.1	-48.3	0	0	0	113.6	S158 D159 I160 K164	S158-N162 VanDerWaalsContact O-CB 3.27Å; S158-N162 WeakPolarHBondContact O-CB 3.37Å; S158-N162 VanDerWaalsContact O-CG 3.26Å; S158-N162 PolarHBondContact O-N 3.33Å; S158-N162 VanDerWaalsContact O-N 3.15Å; S158-N162 PolarHBondContact O-ND2 2.91Å; D159-N162 PolarHBondContact O-N 3.14Å; I160-N162 VanDerWaalsContact C-N 3.27Å; I160-N162 PolarHBondContact O-N 3.03Å; N162-K164 PolarHBondContact O-N 3.39Å; N162-K164 VanDerWaalsContact O-N 3.11Å
163	L	79.4	Confident	79.4	Confident	116 Å²	116	113.8 Å²	113.8	61%	0.607	57%	0.565	S	S	*	*			trans	-65.8	114.6	171.8	-103.3	76.4	0	0	0	109.4	D159 I160 L161 I165	D159-L163 WeakPolarHBondContact O-CD1 3.07Å; D159-L163 PolarHBondContact O-N 3.28Å; I160-L163 WeakPolarHBondContact O-CB 3.42Å; I160-L163 PolarHBondContact O-N 2.96Å; I160-L163 VanDerWaalsContact O-N 3.17Å; L161-L163 VanDerWaalsContact C-N 3.33Å; L163-I165 PolarHBondContact O-N 3.43Å
164	K	78.9	Confident	77.8	Confident	204 Å²	204	113.3 Å²	113.3	89%	0.887	57%	0.574	S	S	*	*			trans	-69.4	94.9	163.7	-72.9	-175.1	177.4	179.3	0	108.5	N162 P166	N162-K164 PolarHBondContact O-N 3.39Å; N162-K164 VanDerWaalsContact O-N 3.11Å; K164-P166 WeakPolarHBondContact O-CD 3.29Å
165	I	74.8	Confident	76.1	Confident	94 Å²	94	113.4 Å²	113.4	48%	0.482	58%	0.577	S	S	.	*			trans	-70.7	119.9	172.3	-55.4	176.8	0	0	0	107.4	L163 Q167 V169 I170	L163-I165 PolarHBondContact O-N 3.43Å; I165-Q167 PolarHBondContact O-N 3.49Å; I165-V169 HydrophobicContact CG2-CB 3.67Å; I165-V169 HydrophobicContact CG2-CG1 3.74Å; I165-I170 HydrophobicContact CB-CD1 4.13Å; I165-I170 HydrophobicContact CB-CG1 3.97Å; I165-I170 HydrophobicContact CG2-CD1 4.27Å; I165-I170 HydrophobicContact CG2-CG1 3.56Å
166	P	76.2	Confident	74.3	Confident	65 Å²	65	109.4 Å²	109.4	42%	0.422	57%	0.568	S	S	.	*			trans	-56.7	139	175.7	-23.6	34	0	0	0	110.5	K164 R168 V169 I170	K164-P166 WeakPolarHBondContact O-CD 3.29Å; P166-R168 HydrophobicContact CB-CG 3.83Å; P166-R168 PolarHBondContact O-N 3.33Å; P166-R168 VanDerWaalsContact O-N 3.1Å; P166-V169 HydrophobicContact CB-CG2 4.29Å; P166-V169 HydrophobicContact CG-CG2 4.37Å; P166-V169 WeakPolarHBondContact O-CA 3.25Å; P166-V169 WeakPolarHBondContact O-CB 3.46Å; P166-V169 PolarHBondContact O-N 3.48Å; P166-I170 PolarHBondContact O-N 2.81Å
167	Q	69.9	Low	72.6	Confident	142 Å²	142	103.5 Å²	103.5	66%	0.664	56%	0.56	S	S	*	*	H	α-helix	trans	-47.7	-41.2	178.3	-88.3	-89	-9.3	0	0	112.7	I165 V169 I170 D171	I165-Q167 PolarHBondContact O-N 3.49Å; Q167-V169 PolarHBondContact O-N 2.72Å; Q167-I170 PolarHBondContact O-N 2.67Å; Q167-D171 PolarHBondContact O-N 3.42Å
168	R	73.9	Confident	70.9	Confident	193 Å²	193	106.7 Å²	106.7	73%	0.728	58%	0.576	S	S	*	*	H	α-helix	trans	-57.1	-19.9	174.4	66.9	177.2	-175.2	-175.2	0.7	115.8	P166 P172	P166-R168 HydrophobicContact CB-CG 3.83Å; P166-R168 PolarHBondContact O-N 3.33Å; P166-R168 VanDerWaalsContact O-N 3.1Å; R168-P172 VanDerWaalsContact O-CA 3.26Å; R168-P172 WeakPolarHBondContact O-CA 3.36Å
169	V	77.8	Confident	69.4	Low	93 Å²	93	107.5 Å²	107.5	56%	0.564	58%	0.578	S	S	*	*	H	α-helix	trans	-94	-33.4	176.7	179.9	0	0	0	0	110.6	I165 P166 Q167	I165-V169 HydrophobicContact CG2-CB 3.67Å; I165-V169 HydrophobicContact CG2-CG1 3.74Å; P166-V169 HydrophobicContact CB-CG2 4.29Å; P166-V169 HydrophobicContact CG-CG2 4.37Å; P166-V169 WeakPolarHBondContact O-CA 3.25Å; P166-V169 WeakPolarHBondContact O-CB 3.46Å; P166-V169 PolarHBondContact O-N 3.48Å; Q167-V169 PolarHBondContact O-N 2.72Å
170	I	76.8	Confident	68	Low	99 Å²	99	109.8 Å²	109.8	51%	0.508	59%	0.585	S	S	.	*	H	α-helix	trans	-70.4	-49.1	176.4	-58.1	178.1	0	0	0	109.8	I165 P166 Q167	I165-I170 HydrophobicContact CB-CD1 4.13Å; I165-I170 HydrophobicContact CB-CG1 3.97Å; I165-I170 HydrophobicContact CG2-CD1 4.27Å; I165-I170 HydrophobicContact CG2-CG1 3.56Å; P166-I170 PolarHBondContact O-N 2.81Å; Q167-I170 PolarHBondContact O-N 2.67Å
171	D	73.7	Confident	66.7	Low	86 Å²	86	111.6 Å²	111.6	46%	0.46	59%	0.593	S	S	.	*			trans	-133.1	90.8	176.5	-84.5	-45.7	0	0	0	109.8	Q167 M173 C174	Q167-D171 PolarHBondContact O-N 3.42Å; D171-M173 PolarHBondContact O-N 3.14Å; D171-C174 HydrophobicContact CB-CB 3.51Å; D171-C174 PolarHBondContact O-N 3.47Å
172	P	69.2	Low	65.6	Low	97 Å²	97	113.7 Å²	113.7	63%	0.63	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-16.5	178.9	-24.3	33.7	0	0	0	114.6	R168	R168-P172 VanDerWaalsContact O-CA 3.26Å; R168-P172 WeakPolarHBondContact O-CA 3.36Å
173	M	63.4	Low	64.7	Low	166 Å²	166	112.1 Å²	112.1	82%	0.818	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-8	-173.9	-57.6	-61.1	-126.8	0	0	113.6	D171 S175	D171-M173 PolarHBondContact O-N 3.14Å; M173-S175 PolarHBondContact O-N 3.05Å
174	C	57.4	Low	63.8	Low	96 Å²	96	112.3 Å²	112.3	65%	0.649	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-1	-166.7	-155.1	0	0	0	0	114.9	D171	D171-C174 HydrophobicContact CB-CB 3.51Å; D171-C174 PolarHBondContact O-N 3.47Å
175	S	52.4	Low	63.2	Low	58 Å²	58	108.8 Å²	108.8	41%	0.406	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.9	10.3	169.4	79.7	0	0	0	0	114.1	M173 G177 E178 V179	M173-S175 PolarHBondContact O-N 3.05Å; S175-G177 PolarHBondContact O-N 3.23Å; S175-E178 PolarHBondContact O-N 3.37Å; S175-V179 PolarHBondContact O-N 3.32Å
176	A	50.3	Low	62.7	Low	57 Å²	57	110 Å²	110	47%	0.471	58%	0.58	S	S	.	*	H	α-helix	trans	-59.1	-29.2	179.5	0	0	0	0	0	112.4	E180	A176-E180 WeakPolarHBondContact O-CB 3.39Å; A176-E180 PolarHBondContact O-N 3.29Å
177	G	52.5	Low	62.3	Low	46 Å²	46	112.9 Å²	112.9	47%	0.474	59%	0.588	S	S	.	*	H	α-helix	trans	-75.5	-28.2	178.6	0	0	0	0	0	115.3	S175 M181	S175-G177 PolarHBondContact O-N 3.23Å; G177-M181 WeakPolarHBondContact O-CG 3.4Å; G177-M181 PolarHBondContact O-N 3.34Å
178	E	52.3	Low	62.3	Low	148 Å²	148	110.6 Å²	110.6	69%	0.692	58%	0.579	S	S	*	*	H	α-helix	trans	-82.8	-37.4	179.6	-70.4	178.8	171.4	0	0	111.1	S175 M181 E182	S175-E178 PolarHBondContact O-N 3.37Å; E178-M181 PolarHBondContact O-N 3.39Å; E178-E182 PolarHBondContact O-N 3.35Å; E178-E182 VanDerWaalsContact O-N 3.08Å
179	V	54	Low	62	Low	73 Å²	73	107.2 Å²	107.2	44%	0.442	57%	0.571	S	S	.	*	H	α-helix	trans	-75.6	-33.4	179.6	-175.9	0	0	0	0	112.1	S175 M181 L183	S175-V179 PolarHBondContact O-N 3.32Å; V179-M181 VanDerWaalsContact C-N 3.32Å; V179-L183 HydrophobicContact CG1-CD1 4.32Å; V179-L183 WeakPolarHBondContact O-CG 3.27Å; V179-L183 PolarHBondContact O-N 2.9Å
180	E	55.1	Low	61.3	Low	149 Å²	149	108.1 Å²	108.1	70%	0.696	57%	0.573	S	S	*	*	H	α-helix	trans	-68.1	-32.1	171.6	-84.1	-175.5	159.6	0	0	112.3	A176 H184	A176-E180 WeakPolarHBondContact O-CB 3.39Å; A176-E180 PolarHBondContact O-N 3.29Å; E180-H184 WeakPolarHBondContact O-CB 3.37Å; E180-H184 PolarHBondContact O-N 2.89Å
181	M	54.2	Low	60.7	Low	137 Å²	137	109.9 Å²	109.9	68%	0.675	58%	0.579	S	S	*	*	H	α-helix	trans	-71.2	-45.2	175.6	-81.5	-177.9	44.6	0	0	112.3	G177 E178 V179 L183 H184 E185	G177-M181 WeakPolarHBondContact O-CG 3.4Å; G177-M181 PolarHBondContact O-N 3.34Å; E178-M181 PolarHBondContact O-N 3.39Å; V179-M181 VanDerWaalsContact C-N 3.32Å; M181-L183 PolarHBondContact O-N 3.07Å; M181-H184 PolarHBondContact O-N 3.25Å; M181-E185 PolarHBondContact O-N 3.1Å
182	E	58.1	Low	60.1	Low	137 Å²	137	108.4 Å²	108.4	64%	0.64	58%	0.575	S	S	*	*	H	α-helix	trans	-62.4	-40.2	177.7	-80.5	-177.8	160.3	0	0	112.1	E178 H184 E185 E186	E178-E182 PolarHBondContact O-N 3.35Å; E178-E182 VanDerWaalsContact O-N 3.08Å; E182-H184 VanDerWaalsContact C-N 3.33Å; E182-H184 PolarHBondContact O-N 3.49Å; E182-E185 PolarHBondContact O-N 2.88Å; E182-E186 WeakPolarHBondContact O-CB 3.27Å; E182-E186 PolarHBondContact O-N 2.91Å
183	L	59.5	Low	59.7	Low	98 Å²	98	107.9 Å²	107.9	51%	0.513	57%	0.567	S	S	.	*	H	α-helix	trans	-67.6	-32.1	176.3	-75	171.2	0	0	0	113.1	V179 M181 Q187	V179-L183 HydrophobicContact CG1-CD1 4.32Å; V179-L183 WeakPolarHBondContact O-CG 3.27Å; V179-L183 PolarHBondContact O-N 2.9Å; M181-L183 PolarHBondContact O-N 3.07Å; L183-Q187 WeakPolarHBondContact O-CB 3.48Å; L183-Q187 WeakPolarHBondContact O-CG 3.12Å; L183-Q187 PolarHBondContact O-N 2.97Å; L183-Q187 VanDerWaalsContact O-N 3.15Å
184	H	59.1	Low	59.5	Low	120 Å²	120	106.5 Å²	106.5	56%	0.556	56%	0.558	S	S	*	*	H	α-helix	trans	-74.3	-38.9	177.3	-152.9	63	0	0	0	111.3	E180 M181 E182 Q187 I188	E180-H184 WeakPolarHBondContact O-CB 3.37Å; E180-H184 PolarHBondContact O-N 2.89Å; M181-H184 PolarHBondContact O-N 3.25Å; E182-H184 VanDerWaalsContact C-N 3.33Å; E182-H184 PolarHBondContact O-N 3.49Å; H184-Q187 PolarHBondContact O-N 3.46Å; H184-I188 WeakPolarHBondContact O-CD1 3.48Å; H184-I188 WeakPolarHBondContact O-CG1 3.28Å; H184-I188 PolarHBondContact O-N 3Å
185	E	67	Low	59.4	Low	131 Å²	131	107.7 Å²	107.7	61%	0.612	55%	0.554	S	S	*	*	H	α-helix	trans	-66.3	-41.9	176.8	-151.4	164.8	-147.3	0	0	111.4	M181 E182 Q187 I188 E189	M181-E185 PolarHBondContact O-N 3.1Å; E182-E185 PolarHBondContact O-N 2.88Å; E185-Q187 PolarHBondContact O-N 3.01Å; E185-I188 PolarHBondContact O-N 3.24Å; E185-E189 PolarHBondContact O-N 3.14Å
186	E	64.1	Low	59.4	Low	120 Å²	120	110.3 Å²	110.3	56%	0.561	56%	0.563	S	S	*	*	H	α-helix	trans	-65.5	-36.7	175.5	-154.7	179.7	-156	0	0	112.2	E182 E189 L190	E182-E186 WeakPolarHBondContact O-CB 3.27Å; E182-E186 PolarHBondContact O-N 2.91Å; E186-E189 PolarHBondContact O-N 2.95Å; E186-L190 WeakPolarHBondContact O-CB 3.38Å; E186-L190 VanDerWaalsContact O-CG 3.31Å; E186-L190 WeakPolarHBondContact O-CG 3.34Å; E186-L190 PolarHBondContact O-N 3.41Å
187	Q	67.3	Low	59.6	Low	125 Å²	125	115.9 Å²	115.9	58%	0.584	58%	0.577	S	S	*	*	H	α-helix	trans	-66.2	-38.1	172.4	-83.4	-176.1	-2.6	0	0	112.8	L183 H184 E185 L190 Q191	L183-Q187 WeakPolarHBondContact O-CB 3.48Å; L183-Q187 WeakPolarHBondContact O-CG 3.12Å; L183-Q187 PolarHBondContact O-N 2.97Å; L183-Q187 VanDerWaalsContact O-N 3.15Å; H184-Q187 PolarHBondContact O-N 3.46Å; E185-Q187 PolarHBondContact O-N 3.01Å; Q187-L190 PolarHBondContact O-N 3.29Å; Q187-Q191 WeakPolarHBondContact O-CB 3.43Å; Q187-Q191 WeakPolarHBondContact O-CG 3.39Å; Q187-Q191 PolarHBondContact O-N 3.38Å
188	I	69.3	Low	59.6	Low	93 Å²	93	120 Å²	120	48%	0.477	59%	0.587	S	S	.	*	H	α-helix	trans	-66.2	-42.3	176.6	-69.1	164.5	0	0	0	110.6	H184 E185 Q191 S192	H184-I188 WeakPolarHBondContact O-CD1 3.48Å; H184-I188 WeakPolarHBondContact O-CG1 3.28Å; H184-I188 PolarHBondContact O-N 3Å; E185-I188 PolarHBondContact O-N 3.24Å; I188-Q191 PolarHBondContact O-N 3.47Å; I188-S192 WeakPolarHBondContact O-CB 3.41Å; I188-S192 PolarHBondContact O-N 3.27Å; I188-S192 PolarHBondContact O-OG 3.13Å
189	E	68.9	Low	59.7	Low	122 Å²	122	120.9 Å²	120.9	57%	0.57	59%	0.589	S	S	*	*	H	α-helix	trans	-64.7	-40.3	176	-73.8	-163.1	166	0	0	112.4	E185 E186 S192 N193	E185-E189 PolarHBondContact O-N 3.14Å; E186-E189 PolarHBondContact O-N 2.95Å; E189-S192 PolarHBondContact O-OG 3.41Å; E189-N193 WeakPolarHBondContact O-CB 3.47Å; E189-N193 PolarHBondContact O-N 3.03Å; E189-N193 VanDerWaalsContact O-N 3.11Å; E189-N193 PolarHBondContact O-ND2 2.88Å
190	L	63.8	Low	59.7	Low	113 Å²	113	122.3 Å²	122.3	59%	0.592	60%	0.602	S	S	*	*	H	α-helix	trans	-66.8	-41.5	176.5	-72.8	170.6	0	0	0	112.1	E186 Q187 N193 E194	E186-L190 WeakPolarHBondContact O-CB 3.38Å; E186-L190 VanDerWaalsContact O-CG 3.31Å; E186-L190 WeakPolarHBondContact O-CG 3.34Å; E186-L190 PolarHBondContact O-N 3.41Å; Q187-L190 PolarHBondContact O-N 3.29Å; L190-N193 PolarHBondContact O-N 3.19Å; L190-E194 PolarHBondContact O-N 3.17Å; L190-E194 VanDerWaalsContact O-N 3.1Å
191	Q	63.1	Low	59.5	Low	136 Å²	136	117.8 Å²	117.8	64%	0.636	60%	0.596	S	S	*	*	H	α-helix	trans	-65.4	-42.8	176.5	-77.8	-169.2	-46.9	0	0	112.5	Q187 I188 N193 E194 E195	Q187-Q191 WeakPolarHBondContact O-CB 3.43Å; Q187-Q191 WeakPolarHBondContact O-CG 3.39Å; Q187-Q191 PolarHBondContact O-N 3.38Å; I188-Q191 PolarHBondContact O-N 3.47Å; Q191-N193 VanDerWaalsContact C-N 3.32Å; Q191-N193 PolarHBondContact O-N 3.14Å; Q191-E194 PolarHBondContact O-N 2.91Å; Q191-E195 PolarHBondContact O-N 3.37Å; Q191-E195 VanDerWaalsContact O-N 3.11Å
192	S	61.9	Low	59.2	Low	54 Å²	54	121.4 Å²	121.4	38%	0.378	60%	0.603	S	S	.	*	H	α-helix	trans	-65.2	-34.6	178.1	67.8	0	0	0	0	112.8	I188 E189 L196	I188-S192 WeakPolarHBondContact O-CB 3.41Å; I188-S192 PolarHBondContact O-N 3.27Å; I188-S192 PolarHBondContact O-OG 3.13Å; E189-S192 PolarHBondContact O-OG 3.41Å; S192-L196 WeakPolarHBondContact O-CG 3.47Å; S192-L196 PolarHBondContact O-N 3.41Å
193	N	60	Low	58.9	Low	86 Å²	86	123.6 Å²	123.6	46%	0.46	61%	0.614	S	S	.	*	H	α-helix	trans	-74.1	-31.8	177.4	-81.5	-50.8	0	0	0	113.4	E189 L190 Q191 K197	E189-N193 WeakPolarHBondContact O-CB 3.47Å; E189-N193 PolarHBondContact O-N 3.03Å; E189-N193 VanDerWaalsContact O-N 3.11Å; E189-N193 PolarHBondContact O-ND2 2.88Å; L190-N193 PolarHBondContact O-N 3.19Å; Q191-N193 VanDerWaalsContact C-N 3.32Å; Q191-N193 PolarHBondContact O-N 3.14Å; N193-K197 WeakPolarHBondContact O-CG 3.43Å; N193-K197 PolarHBondContact O-N 3.15Å
194	E	58.7	Low	58	Low	138 Å²	138	127 Å²	127	65%	0.645	63%	0.626	S	S	*	*	H	α-helix	trans	-71	-37	171.8	-75.8	-166	156.3	0	0	112.3	L190 Q191 L196 K197 L198	L190-E194 PolarHBondContact O-N 3.17Å; L190-E194 VanDerWaalsContact O-N 3.1Å; Q191-E194 PolarHBondContact O-N 2.91Å; E194-L196 VanDerWaalsContact C-N 3.31Å; E194-L196 PolarHBondContact O-N 2.78Å; E194-K197 PolarHBondContact O-N 3.16Å; E194-L198 PolarHBondContact O-N 3.5Å; E194-L198 VanDerWaalsContact O-N 3.11Å
195	E	56	Low	57	Low	120 Å²	120	134.7 Å²	134.7	56%	0.561	66%	0.659	S	S	*	*	H	α-helix	trans	-66.6	-31.1	175.3	-73	-164.4	177.5	0	0	113.2	Q191 K199	Q191-E195 PolarHBondContact O-N 3.37Å; Q191-E195 VanDerWaalsContact O-N 3.11Å; E195-K199 WeakPolarHBondContact O-CG 3.35Å; E195-K199 PolarHBondContact O-N 3.49Å
196	L	52.1	Low	56.5	Low	114 Å²	114	134.9 Å²	134.9	60%	0.597	66%	0.661	S	S	*	*	H	α-helix	trans	-76.2	-30.7	174.5	-72	168.5	0	0	0	112.5	S192 E194 S200	S192-L196 WeakPolarHBondContact O-CG 3.47Å; S192-L196 PolarHBondContact O-N 3.41Å; E194-L196 VanDerWaalsContact C-N 3.31Å; E194-L196 PolarHBondContact O-N 2.78Å; L196-S200 PolarHBondContact O-N 3.18Å
197	K	54.1	Low	56.1	Low	173 Å²	173	135.7 Å²	135.7	75%	0.752	67%	0.667	S	S	*	*	H	α-helix	trans	-71.8	-28.3	173.3	-78.1	178.2	178.5	172.7	0	113.1	N193 E194	N193-K197 WeakPolarHBondContact O-CG 3.43Å; N193-K197 PolarHBondContact O-N 3.15Å; E194-K197 PolarHBondContact O-N 3.16Å
198	L	52.3	Low	55.5	Low	132 Å²	132	136.3 Å²	136.3	69%	0.691	67%	0.671	S	S	*	*	H	α-helix	trans	-81.5	-22.4	175	-95.9	147.4	0	0	0	113.9	E194	E194-L198 PolarHBondContact O-N 3.5Å; E194-L198 VanDerWaalsContact O-N 3.11Å
199	K	55.3	Low	54.7	Low	167 Å²	167	138.8 Å²	138.8	73%	0.726	68%	0.683	S	S	*	*	H	α-helix	trans	-93.1	-16	179.5	-72.7	175.9	-177.9	160.3	0	114.6	E195	E195-K199 WeakPolarHBondContact O-CG 3.35Å; E195-K199 PolarHBondContact O-N 3.49Å
200	S	53.1	Low	53.8	Low	104 Å²	104	139.9 Å²	139.9	73%	0.727	69%	0.69	S	S	*	*	S	Bend	trans	-98.4	2	177.5	-166.4	0	0	0	0	114.5	L196	L196-S200 PolarHBondContact O-N 3.18Å
201	G	52.3	Low	53.1	Low	54 Å²	54	141.7 Å²	141.7	56%	0.557	70%	0.696	S	S	*	*	S	Bend	trans	-95.1	0.9	-172.2	0	0	0	0	0	117
202	Y	48.1	Very low	52.4	Low	212 Å²	212	142.1 Å²	142.1	83%	0.831	70%	0.701	S	S	*	*			trans	-116.8	63.7	179.9	-76.6	-84.5	0	0	0	111
203	Q	50.6	Low	51.7	Low	184 Å²	184	148.8 Å²	148.8	86%	0.86	73%	0.726	S	S	*	*	S	Bend	trans	-150.2	45.3	170.8	-115.9	-175.2	3.8	0	0	111
204	Q	41.8	Very low	51	Low	168 Å²	168	154.1 Å²	154.1	79%	0.785	75%	0.748	S	S	*	*			trans	-173.4	128.1	159.8	-110	163.2	-0.5	0	0	107.7
205	F	37.3	Very low	50.3	Low	283 Å²	283	155.5 Å²	155.5	100%	1.241	76%	0.757	S	S	*	*			trans	86	0	-175.3	-54.4	-75.9	0	0	0	117.1

Retrieved 205 of 205 residues in 91.2 ms (Link to these results)

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