A0A3Q0KG93_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KG93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 191 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.9	Very low	29.4	Very low	237 Å²	237	137.1 Å²	137.1	100%	1.167	77%	0.767	S	S	*	*				0	117.1	0	-94.2	163.8	67.4	0	0	108.6
2	N	31.6	Very low	29.6	Very low	155 Å²	155	139.8 Å²	139.8	83%	0.829	77%	0.765	S	S	*	*			trans	38	117.1	160.2	-62.4	-9.9	0	0	0	120.8
3	L	23.9	Very low	29.7	Very low	113 Å²	113	142.1 Å²	142.1	59%	0.592	77%	0.767	S	S	*	*			trans	-124.6	99.7	146.9	-96	148.2	0	0	0	108.5
4	S	30.1	Very low	29.8	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	77%	0.768	S	S	*	*			trans	-84.1	116.1	168.7	55.5	0	0	0	0	109.5	S6	S4-S6 PolarHBondContact O-N 3.16Å
5	C	27.7	Very low	30.1	Very low	78 Å²	78	143.9 Å²	143.9	53%	0.527	77%	0.773	S	S	.	*			trans	-86.3	88	164.3	-76.6	0	0	0	0	109.4
6	S	28.1	Very low	30.2	Very low	108 Å²	108	147.1 Å²	147.1	76%	0.755	78%	0.778	S	S	*	*			trans	-94.9	111.1	154.5	-73.9	0	0	0	0	107.5	S4	S4-S6 PolarHBondContact O-N 3.16Å
7	L	30.6	Very low	30.5	Very low	161 Å²	161	149.6 Å²	149.6	84%	0.843	78%	0.777	S	S	*	*			trans	-117.7	108.5	163.9	-104.1	159.3	0	0	0	109.2
8	L	28.4	Very low	30.5	Very low	146 Å²	146	152.1 Å²	152.1	76%	0.764	79%	0.79	S	S	*	*			trans	-43.1	135.2	162.3	-73.9	145	0	0	0	110.9
9	V	31.8	Very low	30.8	Very low	111 Å²	111	147.6 Å²	147.6	67%	0.673	77%	0.773	S	S	*	*				52.1	115.2	87.4	-178.5	0	0	0	0	113.2
10	N	29.3	Very low	31.1	Very low	148 Å²	148	145.9 Å²	145.9	79%	0.791	77%	0.765	S	S	*	*			trans	75.5	95.4	159	-67.3	-18.2	0	0	0	119.2
11	L	31.1	Very low	31.6	Very low	146 Å²	146	144.3 Å²	144.3	76%	0.764	76%	0.764	S	S	*	*	S	Bend	trans	-1.5	124.6	131.9	-117.5	80.8	0	0	0	115.2
12	F	32.3	Very low	32.4	Very low	169 Å²	169	138.2 Å²	138.2	74%	0.741	73%	0.733	S	S	*	*			trans	67.5	87.1	165.5	-65.8	-89.2	0	0	0	115.7
13	H	30.5	Very low	33.2	Very low	170 Å²	170	134.2 Å²	134.2	79%	0.787	73%	0.728	S	S	*	*				171.7	135.2	116.4	-87.5	-64.4	0	0	0	110.4
14	L	31.5	Very low	34.9	Very low	149 Å²	149	134.6 Å²	134.6	78%	0.78	73%	0.729	S	S	*	*			trans	79.1	100.5	156	-62.8	150.3	0	0	0	118	F16	L14-F16 PolarHBondContact O-N 2.96Å; L14-F16 VanDerWaalsContact O-N 3.16Å
15	L	34.3	Very low	37.3	Very low	163 Å²	163	133.3 Å²	133.3	85%	0.853	72%	0.715	S	S	*	*				10.5	93.7	124.7	-68.6	161.6	0	0	0	114.5
16	F	31.1	Very low	39.9	Very low	194 Å²	194	134.7 Å²	134.7	85%	0.851	72%	0.716	S	S	*	*			trans	177	139	144.2	-105.6	-79	0	0	0	108.5	L14	L14-F16 PolarHBondContact O-N 2.96Å; L14-F16 VanDerWaalsContact O-N 3.16Å
17	Y	34.9	Very low	42.7	Very low	191 Å²	191	136 Å²	136	75%	0.749	71%	0.708	S	S	*	*			trans	86.3	67.6	176.9	-71.6	-85	0	0	0	119.3	S19	Y17-S19 WeakPolarHBondContact CD1-OG 3.48Å; Y17-S19 PolarHBondContact O-N 3.45Å
18	L	30.7	Very low	45.3	Very low	193 Å²	193	130.6 Å²	130.6	100%	1.01	68%	0.678	S	S	*	*			trans	-53.7	76.1	131.8	-77.4	155.6	0	0	0	111.1
19	S	37.1	Very low	48.1	Very low	67 Å²	67	129.1 Å²	129.1	47%	0.469	67%	0.666	S	S	.	*			trans	-132.7	104.3	170.1	57	0	0	0	0	111.9	Y17 C21	Y17-S19 WeakPolarHBondContact CD1-OG 3.48Å; Y17-S19 PolarHBondContact O-N 3.45Å; S19-C21 PolarHBondContact O-N 2.79Å
20	N	37	Very low	50.9	Low	114 Å²	114	130.1 Å²	130.1	61%	0.61	66%	0.659	S	S	*	*			trans	40.4	75.7	156.3	-64.8	-18.2	0	0	0	114.9	H22	N20-H22 PolarHBondContact O-N 2.91Å
21	C	40.8	Very low	53.9	Low	113 Å²	113	123 Å²	123	76%	0.764	62%	0.621	S	S	*	*			trans	-56.4	94.7	148.3	-64.7	0	0	0	0	106.7	S19 G23	S19-C21 PolarHBondContact O-N 2.79Å; C21-G23 VanDerWaalsContact C-N 3.29Å; C21-G23 PolarHBondContact O-N 2.8Å
22	H	46.8	Very low	56.9	Low	109 Å²	109	118.6 Å²	118.6	51%	0.505	60%	0.602	S	S	.	*			trans	-49.9	110.9	150.7	-89.4	55.9	0	0	0	104	N20 I24	N20-H22 PolarHBondContact O-N 2.91Å; H22-I24 PolarHBondContact O-N 2.78Å
23	G	49.5	Very low	59.8	Low	71 Å²	71	115.5 Å²	115.5	73%	0.732	59%	0.588	S	S	*	*			trans	-50.4	107.8	-172.7	0	0	0	0	0	107.4	C21 D25	C21-G23 VanDerWaalsContact C-N 3.29Å; C21-G23 PolarHBondContact O-N 2.8Å; G23-D25 PolarHBondContact O-N 2.95Å
24	I	59.6	Low	62.9	Low	120 Å²	120	112 Å²	112	62%	0.615	57%	0.568	S	S	*	*			trans	-58.3	115.1	179.1	-66.6	172.5	0	0	0	104	H22 L26 F29	H22-I24 PolarHBondContact O-N 2.78Å; I24-L26 PolarHBondContact O-N 3.15Å; I24-F29 HydrophobicContact CG2-CB 3.93Å; I24-F29 HydrophobicContact CG2-CG 4.44Å
25	D	79.3	Confident	65.9	Low	79 Å²	79	105.9 Å²	105.9	42%	0.422	54%	0.536	S	S	.	.			trans	-64.8	97.8	170.6	-176	-19.7	0	0	0	106.2	G23 K27 Q28 F29	G23-D25 PolarHBondContact O-N 2.95Å; D25-K27 PolarHBondContact O-N 2.9Å; D25-K27 VanDerWaalsContact O-N 3.14Å; D25-K27 WeakPolarHBondContact OD1-CA 3.49Å; D25-K27 VanDerWaalsContact OD1-CB 3.28Å; D25-K27 WeakPolarHBondContact OD1-CB 3.45Å; D25-K27 PolarHBondContact OD1-N 2.92Å; D25-Q28 HydrophobicContact CB-CB 3.97Å; D25-Q28 WeakPolarHBondContact O-CA 2.97Å; D25-Q28 WeakPolarHBondContact O-CB 3.28Å; D25-Q28 PolarHBondContact O-N 3.38Å; D25-Q28 PolarHBondContact OD1-N 3.41Å; D25-F29 PolarHBondContact O-N 2.89Å
26	L	84.1	Confident	68.9	Low	106 Å²	106	104.6 Å²	104.6	56%	0.555	52%	0.521	S	S	*	.	H	α-helix	trans	-55.1	-34	-177.9	-69.6	174.7	0	0	0	110.4	I24 F29 Y30	I24-L26 PolarHBondContact O-N 3.15Å; L26-F29 PolarHBondContact O-N 3.38Å; L26-Y30 HydrophobicContact CB-CD2 4.31Å; L26-Y30 HydrophobicContact CB-CE2 4.16Å; L26-Y30 WeakPolarHBondContact O-CB 3.44Å; L26-Y30 WeakPolarHBondContact O-CD2 3.25Å; L26-Y30 PolarHBondContact O-N 3.14Å
27	K	85.3	Confident	72	Confident	136 Å²	136	99 Å²	99	59%	0.591	50%	0.497	S	S	*	.	H	α-helix	trans	-65.1	-43.9	177.4	-66.5	-174.1	176.2	-173.8	0	111	D25 L31 M189	D25-K27 PolarHBondContact O-N 2.9Å; D25-K27 VanDerWaalsContact O-N 3.14Å; D25-K27 WeakPolarHBondContact OD1-CA 3.49Å; D25-K27 VanDerWaalsContact OD1-CB 3.28Å; D25-K27 WeakPolarHBondContact OD1-CB 3.45Å; D25-K27 PolarHBondContact OD1-N 2.92Å; K27-L31 VanDerWaalsContact O-CB 3.25Å; K27-L31 WeakPolarHBondContact O-CB 3.49Å; K27-L31 PolarHBondContact O-N 3.36Å; K27-M189 HydrophobicContact CB-CE 4.27Å
28	Q	85.9	Confident	74.9	Confident	47 Å²	47	89.9 Å²	89.9	22%	0.22	46%	0.462	C	S	.	.	H	α-helix	trans	-65.8	-41.8	176.6	-174.4	175.2	-7.8	0	0	111.7	D25 L31 S32 Y186 M189 N190	D25-Q28 HydrophobicContact CB-CB 3.97Å; D25-Q28 WeakPolarHBondContact O-CA 2.97Å; D25-Q28 WeakPolarHBondContact O-CB 3.28Å; D25-Q28 PolarHBondContact O-N 3.38Å; D25-Q28 PolarHBondContact OD1-N 3.41Å; Q28-L31 PolarHBondContact O-N 2.95Å; Q28-S32 WeakPolarHBondContact O-CB 3.33Å; Q28-S32 PolarHBondContact O-N 3.28Å; Q28-Y186 HydrophobicContact CG-CD2 4.15Å; Q28-Y186 HydrophobicContact CG-CE2 3.59Å; Q28-Y186 PolarHBondContact NE2-OH 2.93Å; Q28-M189 HydrophobicContact CB-CE 4.08Å; Q28-N190 VanDerWaalsContact NE2-CG 3.27Å; Q28-N190 PolarHBondContact NE2-ND2 2.81Å; Q28-N190 PolarHBondContact NE2-OD1 3Å
29	F	87.9	Confident	78	Confident	115 Å²	115	86.4 Å²	86.4	50%	0.504	44%	0.438	S	S	.	.	H	α-helix	trans	-60.6	-49.6	176.1	176.6	-99.3	0	0	0	111.8	I24 D25 L26 L31 S32 K33	I24-F29 HydrophobicContact CG2-CB 3.93Å; I24-F29 HydrophobicContact CG2-CG 4.44Å; D25-F29 PolarHBondContact O-N 2.89Å; L26-F29 PolarHBondContact O-N 3.38Å; F29-L31 VanDerWaalsContact C-N 3.32Å; F29-L31 PolarHBondContact O-N 2.9Å; F29-S32 PolarHBondContact O-N 2.97Å; F29-K33 WeakPolarHBondContact O-CB 3.44Å; F29-K33 PolarHBondContact O-N 3.33Å
30	Y	90.7	Very high	80.8	Confident	132 Å²	132	88.9 Å²	88.9	52%	0.518	44%	0.44	S	S	.	.	H	α-helix	trans	-64.8	-35.5	178	-74.7	-59.5	0	0	0	112.6	L26 R34	L26-Y30 HydrophobicContact CB-CD2 4.31Å; L26-Y30 HydrophobicContact CB-CE2 4.16Å; L26-Y30 WeakPolarHBondContact O-CB 3.44Å; L26-Y30 WeakPolarHBondContact O-CD2 3.25Å; L26-Y30 PolarHBondContact O-N 3.14Å; Y30-R34 WeakPolarHBondContact O-CB 3.47Å; Y30-R34 PolarHBondContact O-N 2.93Å
31	L	92.3	Very high	83.7	Confident	0 Å²	0	85.6 Å²	85.6	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-64.4	-48.9	174.9	-179.8	59	0	0	0	111.3	K27 Q28 F29 K33 R34 I35 Y108 L182 I185 Y186 M189	K27-L31 VanDerWaalsContact O-CB 3.25Å; K27-L31 WeakPolarHBondContact O-CB 3.49Å; K27-L31 PolarHBondContact O-N 3.36Å; Q28-L31 PolarHBondContact O-N 2.95Å; F29-L31 VanDerWaalsContact C-N 3.32Å; F29-L31 PolarHBondContact O-N 2.9Å; L31-K33 VanDerWaalsContact C-N 3.33Å; L31-K33 PolarHBondContact O-N 2.96Å; L31-R34 PolarHBondContact O-N 2.95Å; L31-I35 HydrophobicContact CD1-CD1 4.2Å; L31-I35 HydrophobicContact CD1-CG1 4.46Å; L31-I35 HydrophobicContact CG-CD1 4.04Å; L31-I35 WeakPolarHBondContact O-CG1 3.49Å; L31-I35 PolarHBondContact O-N 3.31Å; L31-Y108 HydrophobicContact CB-CE1 4.42Å; L31-Y108 HydrophobicContact CD1-CE1 4.33Å; L31-Y108 HydrophobicContact CD1-CE2 4.37Å; L31-Y108 HydrophobicContact CD2-CE1 4.24Å; L31-L182 HydrophobicContact CD1-CB 3.76Å; L31-L182 HydrophobicContact CD1-CD1 4.32Å; L31-L182 HydrophobicContact CD1-CD2 3.69Å; L31-L182 HydrophobicContact CD1-CG 4.11Å; L31-I185 HydrophobicContact CD2-CB 4.32Å; L31-I185 HydrophobicContact CD2-CG2 3.74Å; L31-Y186 HydrophobicContact CD2-CD2 4.14Å; L31-Y186 HydrophobicContact CD2-CG 4.48Å; L31-Y186 HydrophobicContact CG-CD2 4.24Å; L31-M189 HydrophobicContact CD2-SD 3.87Å
32	S	92.9	Very high	86.3	Confident	52 Å²	52	81.4 Å²	81.4	36%	0.364	40%	0.396	S	S	.	.	H	α-helix	trans	-58.9	-43.8	176.1	-178.2	0	0	0	0	111.8	Q28 F29 R34 I35 Y36	Q28-S32 WeakPolarHBondContact O-CB 3.33Å; Q28-S32 PolarHBondContact O-N 3.28Å; F29-S32 PolarHBondContact O-N 2.97Å; S32-R34 PolarHBondContact O-N 2.89Å; S32-I35 PolarHBondContact O-N 2.92Å; S32-Y36 PolarHBondContact O-N 3.5Å
33	K	93.9	Very high	88.7	Confident	104 Å²	104	82.5 Å²	82.5	45%	0.452	40%	0.403	S	S	.	.	H	α-helix	trans	-58.6	-47.7	174.8	-178.6	176.8	172.2	-180	0	111.8	F29 L31 Y36 E37	F29-K33 WeakPolarHBondContact O-CB 3.44Å; F29-K33 PolarHBondContact O-N 3.33Å; L31-K33 VanDerWaalsContact C-N 3.33Å; L31-K33 PolarHBondContact O-N 2.96Å; K33-Y36 PolarHBondContact O-N 2.96Å; K33-E37 WeakPolarHBondContact CE-OE1 3.41Å; K33-E37 IonicContact NZ-OE1 3.98Å; K33-E37 WeakPolarHBondContact O-CG 3.41Å; K33-E37 PolarHBondContact O-N 3.18Å
34	R	95	Very high	91	Very high	97 Å²	97	82.3 Å²	82.3	37%	0.366	39%	0.386	S	S	.	.	H	α-helix	trans	-62.5	-43.9	178.7	179.6	59.7	178.5	170	5.3	111.9	Y30 L31 S32 Y36 E37 I38 E178 L182	Y30-R34 WeakPolarHBondContact O-CB 3.47Å; Y30-R34 PolarHBondContact O-N 2.93Å; L31-R34 PolarHBondContact O-N 2.95Å; S32-R34 PolarHBondContact O-N 2.89Å; R34-Y36 VanDerWaalsContact C-N 3.29Å; R34-Y36 PolarHBondContact O-N 2.72Å; R34-E37 PolarHBondContact O-N 3.29Å; R34-I38 HydrophobicContact CG-CD1 3.92Å; R34-I38 HydrophobicContact CG-CG1 4.45Å; R34-I38 VanDerWaalsContact O-CG1 3.29Å; R34-I38 WeakPolarHBondContact O-CG1 3.19Å; R34-I38 PolarHBondContact O-N 3.48Å; R34-E178 IonicContact CZ-OE1 3.04Å; R34-E178 IonicContact CZ-OE2 2.79Å; R34-E178 IonicContact NE-OE1 3.39Å; R34-E178 PolarHBondContact NE-OE1 2.91Å; R34-E178 IonicContact NE-OE2 3.74Å; R34-E178 VanDerWaalsContact NH2-CD 3.32Å; R34-E178 IonicContact NH2-OE1 2.72Å; R34-E178 PolarHBondContact NH2-OE1 2.82Å; R34-E178 IonicContact NH2-OE2 3.5Å; R34-E178 PolarHBondContact NH2-OE2 3.41Å; R34-L182 HydrophobicContact CB-CD1 4.34Å; R34-L182 HydrophobicContact CG-CD1 3.52Å
35	I	95.8	Very high	92.7	Very high	20 Å²	20	78.6 Å²	78.6	10%	0.103	36%	0.364	C	S	.	.	H	α-helix	trans	-56.6	-45.3	175.6	-70.2	166	0	0	0	110.4	L31 S32 I38 K39 L182 Y186	L31-I35 HydrophobicContact CD1-CD1 4.2Å; L31-I35 HydrophobicContact CD1-CG1 4.46Å; L31-I35 HydrophobicContact CG-CD1 4.04Å; L31-I35 WeakPolarHBondContact O-CG1 3.49Å; L31-I35 PolarHBondContact O-N 3.31Å; S32-I35 PolarHBondContact O-N 2.92Å; I35-I38 PolarHBondContact O-N 3.21Å; I35-K39 PolarHBondContact O-N 2.66Å; I35-L182 HydrophobicContact CD1-CB 4.2Å; I35-L182 HydrophobicContact CG1-CB 3.76Å; I35-Y186 HydrophobicContact CD1-CD2 4.44Å; I35-Y186 HydrophobicContact CD1-CG 4.19Å
36	Y	95.7	Very high	93.5	Very high	137 Å²	137	79.4 Å²	79.4	54%	0.537	37%	0.368	S	S	.	.	H	α-helix	trans	-65.3	-40.9	178.3	179.3	-101.7	0	0	0	113.2	S32 K33 R34 K39 K40	S32-Y36 PolarHBondContact O-N 3.5Å; K33-Y36 PolarHBondContact O-N 2.96Å; R34-Y36 VanDerWaalsContact C-N 3.29Å; R34-Y36 PolarHBondContact O-N 2.72Å; Y36-K39 PolarHBondContact O-N 2.87Å; Y36-K40 HydrophobicContact CE1-CD 3.98Å; Y36-K40 HydrophobicContact CE1-CG 4.48Å; Y36-K40 PolarHBondContact O-N 3.09Å; Y36-K40 VanDerWaalsContact O-N 3.1Å; Y36-K40 WeakPolarHBondContact OH-CE 2.97Å; Y36-K40 PolarHBondContact OH-NZ 3.35Å
37	E	96.8	Very high	94.2	Very high	75 Å²	75	80.2 Å²	80.2	35%	0.35	36%	0.364	S	S	.	.	H	α-helix	trans	-63.4	-41.7	175.4	-73.1	171.2	174.7	0	0	112.3	K33 R34 K40 S41	K33-E37 WeakPolarHBondContact CE-OE1 3.41Å; K33-E37 IonicContact NZ-OE1 3.98Å; K33-E37 WeakPolarHBondContact O-CG 3.41Å; K33-E37 PolarHBondContact O-N 3.18Å; R34-E37 PolarHBondContact O-N 3.29Å; E37-K40 PolarHBondContact O-N 2.78Å; E37-S41 PolarHBondContact O-N 3.34Å; E37-S41 VanDerWaalsContact O-N 3.1Å; E37-S41 PolarHBondContact O-OG 2.91Å
38	I	96.5	Very high	94.8	Very high	1 Å²	1	75.7 Å²	75.7	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-42.4	175.4	-62.9	164.3	0	0	0	110.1	R34 I35 K40 S41 L42 N175 E178 H179 L182	R34-I38 HydrophobicContact CG-CD1 3.92Å; R34-I38 HydrophobicContact CG-CG1 4.45Å; R34-I38 VanDerWaalsContact O-CG1 3.29Å; R34-I38 WeakPolarHBondContact O-CG1 3.19Å; R34-I38 PolarHBondContact O-N 3.48Å; I35-I38 PolarHBondContact O-N 3.21Å; I38-K40 VanDerWaalsContact C-N 3.32Å; I38-K40 PolarHBondContact O-N 3.25Å; I38-S41 CarbonylContact O-C 3.58Å; I38-S41 WeakPolarHBondContact O-CA 3.4Å; I38-S41 WeakPolarHBondContact O-CB 3.44Å; I38-S41 PolarHBondContact O-N 3.43Å; I38-L42 HydrophobicContact CG2-CD1 4.31Å; I38-L42 HydrophobicContact CG2-CG 4.28Å; I38-L42 WeakPolarHBondContact O-CG 3.32Å; I38-L42 PolarHBondContact O-N 2.7Å; I38-N175 HydrophobicContact CG2-CB 3.77Å; I38-N175 VanDerWaalsContact CG2-O 3.23Å; I38-N175 WeakPolarHBondContact CG2-O 3.41Å; I38-E178 HydrophobicContact CD1-CB 4.15Å; I38-E178 VanDerWaalsContact CD1-CD 3.46Å; I38-E178 HydrophobicContact CD1-CG 3.75Å; I38-H179 HydrophobicContact CB-CB 4.48Å; I38-H179 HydrophobicContact CG2-CB 3.76Å; I38-L182 HydrophobicContact CD1-CD1 3.7Å
39	K	95.7	Very high	95.3	Very high	120 Å²	120	74.7 Å²	74.7	52%	0.522	34%	0.342	S	S	.	.	H	α-helix	trans	-57.3	-42.4	176.6	-176.6	174.8	-179.9	176	0	112.6	I35 Y36 S41 L42 M43	I35-K39 PolarHBondContact O-N 2.66Å; Y36-K39 PolarHBondContact O-N 2.87Å; K39-S41 VanDerWaalsContact C-N 3.31Å; K39-S41 PolarHBondContact O-N 2.79Å; K39-L42 PolarHBondContact O-N 2.97Å; K39-M43 WeakPolarHBondContact O-CG 3.18Å; K39-M43 PolarHBondContact O-N 2.97Å
40	K	96.1	Very high	95.8	Very high	118 Å²	118	73.1 Å²	73.1	51%	0.513	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-42.1	173	-77	-174.8	169.9	175.7	0	112	Y36 E37 I38 M43 N44	Y36-K40 HydrophobicContact CE1-CD 3.98Å; Y36-K40 HydrophobicContact CE1-CG 4.48Å; Y36-K40 PolarHBondContact O-N 3.09Å; Y36-K40 VanDerWaalsContact O-N 3.1Å; Y36-K40 WeakPolarHBondContact OH-CE 2.97Å; Y36-K40 PolarHBondContact OH-NZ 3.35Å; E37-K40 PolarHBondContact O-N 2.78Å; I38-K40 VanDerWaalsContact C-N 3.32Å; I38-K40 PolarHBondContact O-N 3.25Å; K40-M43 PolarHBondContact O-N 3.43Å; K40-N44 PolarHBondContact O-N 2.92Å; K40-N44 VanDerWaalsContact O-N 3.15Å
41	S	96.3	Very high	96.1	Very high	45 Å²	45	70.4 Å²	70.4	32%	0.315	34%	0.336	S	S	.	.	H	α-helix	trans	-64.6	-41.9	179.4	-56	0	0	0	0	111.2	E37 I38 K39 M43 N44 Y45	E37-S41 PolarHBondContact O-N 3.34Å; E37-S41 VanDerWaalsContact O-N 3.1Å; E37-S41 PolarHBondContact O-OG 2.91Å; I38-S41 CarbonylContact O-C 3.58Å; I38-S41 WeakPolarHBondContact O-CA 3.4Å; I38-S41 WeakPolarHBondContact O-CB 3.44Å; I38-S41 PolarHBondContact O-N 3.43Å; K39-S41 VanDerWaalsContact C-N 3.31Å; K39-S41 PolarHBondContact O-N 2.79Å; S41-M43 PolarHBondContact O-N 3.04Å; S41-N44 PolarHBondContact O-N 2.88Å; S41-N44 VanDerWaalsContact O-N 3.14Å; S41-Y45 WeakPolarHBondContact O-CD2 3.42Å; S41-Y45 PolarHBondContact O-N 2.95Å
42	L	96.5	Very high	96.4	Very high	25 Å²	25	71.4 Å²	71.4	13%	0.131	34%	0.341	C	S	.	.	H	α-helix	trans	-56.2	-48.2	174.6	-71.4	173.1	0	0	0	112	I38 K39 N44 Y45 D46 L172 N175 L176 H179	I38-L42 HydrophobicContact CG2-CD1 4.31Å; I38-L42 HydrophobicContact CG2-CG 4.28Å; I38-L42 WeakPolarHBondContact O-CG 3.32Å; I38-L42 PolarHBondContact O-N 2.7Å; K39-L42 PolarHBondContact O-N 2.97Å; L42-N44 VanDerWaalsContact C-N 3.28Å; L42-N44 PolarHBondContact O-N 2.78Å; L42-Y45 PolarHBondContact O-N 2.89Å; L42-D46 WeakPolarHBondContact O-CB 3.46Å; L42-D46 PolarHBondContact O-N 3.38Å; L42-L172 HydrophobicContact CB-CD1 4.48Å; L42-L172 HydrophobicContact CD2-CD1 3.74Å; L42-L172 HydrophobicContact CD2-CG 4.43Å; L42-L172 WeakPolarHBondContact CD2-O 3.32Å; L42-N175 HydrophobicContact CD2-CB 3.61Å; L42-N175 HydrophobicContact CG-CB 4.17Å; L42-L176 HydrophobicContact CD1-CD1 4.3Å; L42-L176 HydrophobicContact CD2-CB 4.12Å; L42-H179 HydrophobicContact CD1-CB 4.29Å
43	M	96.3	Very high	96.6	Very high	132 Å²	132	75.7 Å²	75.7	65%	0.65	35%	0.353	S	S	*	.	H	α-helix	trans	-61.1	-36.7	177.1	-66.3	174	65.5	0	0	112.4	K39 K40 S41 R47	K39-M43 WeakPolarHBondContact O-CG 3.18Å; K39-M43 PolarHBondContact O-N 2.97Å; K40-M43 PolarHBondContact O-N 3.43Å; S41-M43 PolarHBondContact O-N 3.04Å; M43-R47 PolarHBondContact O-N 3.02Å
44	N	97.2	Very high	96.7	Very high	68 Å²	68	74.3 Å²	74.3	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-70.1	-43.9	177.3	-176.6	60.1	0	0	0	112.2	K40 S41 L42 R47 L48	K40-N44 PolarHBondContact O-N 2.92Å; K40-N44 VanDerWaalsContact O-N 3.15Å; S41-N44 PolarHBondContact O-N 2.88Å; S41-N44 VanDerWaalsContact O-N 3.14Å; L42-N44 VanDerWaalsContact C-N 3.28Å; L42-N44 PolarHBondContact O-N 2.78Å; N44-R47 PolarHBondContact O-N 3.36Å; N44-R47 PolarHBondContact OD1-NH2 3.29Å; N44-L48 WeakPolarHBondContact ND2-CD1 3.27Å; N44-L48 WeakPolarHBondContact O-CG 3.49Å; N44-L48 PolarHBondContact O-N 3.15Å
45	Y	96.8	Very high	96.8	Very high	42 Å²	42	74.5 Å²	74.5	17%	0.165	36%	0.362	C	S	.	.	H	α-helix	trans	-65.1	-40.7	178	-71.3	-60	0	0	0	112.1	S41 L42 R47 L48 I49 N168 K171 N175	S41-Y45 WeakPolarHBondContact O-CD2 3.42Å; S41-Y45 PolarHBondContact O-N 2.95Å; L42-Y45 PolarHBondContact O-N 2.89Å; Y45-R47 VanDerWaalsContact C-N 3.32Å; Y45-R47 PolarHBondContact O-N 2.97Å; Y45-L48 HydrophobicContact CD1-CD1 4.39Å; Y45-L48 PolarHBondContact O-N 3.31Å; Y45-I49 WeakPolarHBondContact O-CB 3.41Å; Y45-I49 WeakPolarHBondContact O-CD1 3.23Å; Y45-I49 WeakPolarHBondContact O-CG1 3.42Å; Y45-I49 PolarHBondContact O-N 3.22Å; Y45-N168 HydrophobicContact CD1-CB 4.13Å; Y45-N168 WeakPolarHBondContact CD1-OD1 3.42Å; Y45-K171 HydrophobicContact CD1-CB 3.93Å; Y45-K171 HydrophobicContact CD2-CB 4.09Å; Y45-K171 HydrophobicContact CE1-CB 3.48Å; Y45-K171 VanDerWaalsContact CE1-CB 3.48Å; Y45-K171 HydrophobicContact CE1-CG 3.97Å; Y45-K171 HydrophobicContact CE2-CB 3.69Å; Y45-K171 HydrophobicContact CG-CB 4.22Å; Y45-N175 WeakPolarHBondContact CE2-ND2 3.02Å
46	D	96.2	Very high	96.9	Very high	95 Å²	95	74.5 Å²	74.5	51%	0.508	36%	0.361	S	S	.	.	H	α-helix	trans	-57.3	-44.6	175.7	-174.6	69.3	0	0	0	112.1	L42 T50	L42-D46 WeakPolarHBondContact O-CB 3.46Å; L42-D46 PolarHBondContact O-N 3.38Å; D46-T50 WeakPolarHBondContact O-CB 3.33Å; D46-T50 PolarHBondContact O-N 3.5Å; D46-T50 PolarHBondContact O-OG1 3.22Å
47	R	98	Very high	96.9	Very high	123 Å²	123	72.4 Å²	72.4	46%	0.464	36%	0.356	S	S	.	.	H	α-helix	trans	-62.6	-46.6	173.9	-175.7	-171.9	64.5	82.3	3.3	112.3	M43 N44 Y45 T50 N51	M43-R47 PolarHBondContact O-N 3.02Å; N44-R47 PolarHBondContact O-N 3.36Å; N44-R47 PolarHBondContact OD1-NH2 3.29Å; Y45-R47 VanDerWaalsContact C-N 3.32Å; Y45-R47 PolarHBondContact O-N 2.97Å; R47-T50 PolarHBondContact O-N 3.2Å; R47-N51 WeakPolarHBondContact O-CB 3.41Å; R47-N51 PolarHBondContact O-N 3.44Å
48	L	97.8	Very high	96.9	Very high	42 Å²	42	74.3 Å²	74.3	22%	0.22	37%	0.365	C	S	.	.	H	α-helix	trans	-62.1	-46.8	180	-73	172.3	0	0	0	111.3	N44 Y45 T50 N51 E52	N44-L48 WeakPolarHBondContact ND2-CD1 3.27Å; N44-L48 WeakPolarHBondContact O-CG 3.49Å; N44-L48 PolarHBondContact O-N 3.15Å; Y45-L48 HydrophobicContact CD1-CD1 4.39Å; Y45-L48 PolarHBondContact O-N 3.31Å; L48-T50 VanDerWaalsContact C-N 3.33Å; L48-T50 PolarHBondContact O-N 3.46Å; L48-N51 PolarHBondContact O-N 3.19Å; L48-E52 WeakPolarHBondContact O-CB 3.48Å; L48-E52 WeakPolarHBondContact O-CG 3.01Å; L48-E52 PolarHBondContact O-N 3.39Å
49	I	97.5	Very high	96.7	Very high	26 Å²	26	77.3 Å²	77.3	13%	0.133	38%	0.378	C	S	.	.	H	α-helix	trans	-58.8	-45.7	177.8	-70.1	162.4	0	0	0	110.7	Y45 N51 K53 L165 N168 V169 L172	Y45-I49 WeakPolarHBondContact O-CB 3.41Å; Y45-I49 WeakPolarHBondContact O-CD1 3.23Å; Y45-I49 WeakPolarHBondContact O-CG1 3.42Å; Y45-I49 PolarHBondContact O-N 3.22Å; I49-N51 PolarHBondContact O-N 3.13Å; I49-K53 WeakPolarHBondContact O-CB 3.5Å; I49-K53 PolarHBondContact O-N 3.39Å; I49-L165 HydrophobicContact CB-CD1 4.16Å; I49-L165 HydrophobicContact CG1-CD1 4.36Å; I49-L165 HydrophobicContact CG2-CD1 3.81Å; I49-L165 WeakPolarHBondContact O-CD1 3.33Å; I49-N168 HydrophobicContact CD1-CB 4.39Å; I49-N168 HydrophobicContact CG1-CB 3.72Å; I49-V169 HydrophobicContact CD1-CB 4.47Å; I49-V169 HydrophobicContact CD1-CG2 3.92Å; I49-V169 HydrophobicContact CG1-CG2 4Å; I49-V169 HydrophobicContact CG2-CG2 4.2Å; I49-L172 HydrophobicContact CD1-CB 3.86Å; I49-L172 HydrophobicContact CD1-CD2 3.67Å; I49-L172 HydrophobicContact CD1-CG 4.27Å
50	T	97.8	Very high	96.6	Very high	81 Å²	81	72.5 Å²	72.5	50%	0.497	36%	0.358	S	S	.	.	H	α-helix	trans	-60.6	-46.7	178.8	-62.8	0	0	0	0	111.2	D46 R47 L48 S54	D46-T50 WeakPolarHBondContact O-CB 3.33Å; D46-T50 PolarHBondContact O-N 3.5Å; D46-T50 PolarHBondContact O-OG1 3.22Å; R47-T50 PolarHBondContact O-N 3.2Å; L48-T50 VanDerWaalsContact C-N 3.33Å; L48-T50 PolarHBondContact O-N 3.46Å; T50-S54 PolarHBondContact O-N 2.96Å; T50-S54 VanDerWaalsContact O-N 3.12Å
51	N	97.5	Very high	96.5	Very high	75 Å²	75	70.4 Å²	70.4	40%	0.401	35%	0.352	S	S	.	.	H	α-helix	trans	-65.1	-49.7	179.7	-74.4	2	0	0	0	112.1	R47 L48 I49 K53 S54 Q55	R47-N51 WeakPolarHBondContact O-CB 3.41Å; R47-N51 PolarHBondContact O-N 3.44Å; L48-N51 PolarHBondContact O-N 3.19Å; I49-N51 PolarHBondContact O-N 3.13Å; N51-K53 VanDerWaalsContact C-N 3.34Å; N51-K53 PolarHBondContact O-N 2.87Å; N51-S54 WeakPolarHBondContact O-CB 3.35Å; N51-S54 PolarHBondContact O-N 3.19Å; N51-Q55 WeakPolarHBondContact O-CG 3.49Å; N51-Q55 PolarHBondContact O-N 3.29Å
52	E	97.6	Very high	96.3	Very high	22 Å²	22	72.2 Å²	72.2	10%	0.103	36%	0.355	C	S	.	.	H	α-helix	trans	-66.9	-36	-178	-71	172.8	153.1	0	0	111.8	L48 S54 Q55 F56 L161 S164 L165 N168	L48-E52 WeakPolarHBondContact O-CB 3.48Å; L48-E52 WeakPolarHBondContact O-CG 3.01Å; L48-E52 PolarHBondContact O-N 3.39Å; E52-S54 VanDerWaalsContact C-N 3.35Å; E52-Q55 PolarHBondContact O-N 3.19Å; E52-F56 VanDerWaalsContact O-CB 3.24Å; E52-F56 WeakPolarHBondContact O-CB 3.43Å; E52-F56 PolarHBondContact O-N 3.26Å; E52-L161 HydrophobicContact CB-CD1 4.18Å; E52-L161 HydrophobicContact CG-CD1 4.11Å; E52-S164 WeakPolarHBondContact OE1-CB 3.41Å; E52-S164 PolarHBondContact OE1-OG 3.16Å; E52-L165 HydrophobicContact CB-CB 4.13Å; E52-L165 HydrophobicContact CB-CD1 4.09Å; E52-L165 WeakPolarHBondContact OE2-CA 3.47Å; E52-L165 PolarHBondContact OE2-N 2.76Å; E52-N168 PolarHBondContact OE1-ND2 3.33Å; E52-N168 VanDerWaalsContact OE1-ND2 3.08Å; E52-N168 PolarHBondContact OE2-ND2 3.02Å
53	K	97.1	Very high	96.1	Very high	141 Å²	141	71.5 Å²	71.5	61%	0.613	35%	0.352	S	S	*	.	H	α-helix	trans	-61.9	-43.4	172.7	-177.3	-179.8	177.6	-176	0	111.4	I49 N51 F56 Q57 L165	I49-K53 WeakPolarHBondContact O-CB 3.5Å; I49-K53 PolarHBondContact O-N 3.39Å; N51-K53 VanDerWaalsContact C-N 3.34Å; N51-K53 PolarHBondContact O-N 2.87Å; K53-F56 PolarHBondContact O-N 3.19Å; K53-Q57 PolarHBondContact O-N 2.9Å; K53-L165 HydrophobicContact CB-CD1 4.3Å; K53-L165 HydrophobicContact CB-CD2 4.27Å
54	S	97.6	Very high	95.7	Very high	75 Å²	75	65.8 Å²	65.8	52%	0.524	32%	0.324	S	S	.	.	H	α-helix	trans	-63.5	-48.1	177	-168.7	0	0	0	0	111.3	T50 N51 E52 F56 Q57 E58	T50-S54 PolarHBondContact O-N 2.96Å; T50-S54 VanDerWaalsContact O-N 3.12Å; N51-S54 WeakPolarHBondContact O-CB 3.35Å; N51-S54 PolarHBondContact O-N 3.19Å; E52-S54 VanDerWaalsContact C-N 3.35Å; S54-F56 VanDerWaalsContact C-N 3.29Å; S54-F56 PolarHBondContact O-N 3.32Å; S54-Q57 PolarHBondContact O-N 3.28Å; S54-E58 WeakPolarHBondContact O-CB 3.46Å; S54-E58 PolarHBondContact O-N 3.39Å
55	Q	97.1	Very high	95.4	Very high	102 Å²	102	68.5 Å²	68.5	48%	0.477	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-39.5	178.1	-72.2	176.1	-8.1	0	0	111.8	N51 E52 K59 L161	N51-Q55 WeakPolarHBondContact O-CG 3.49Å; N51-Q55 PolarHBondContact O-N 3.29Å; E52-Q55 PolarHBondContact O-N 3.19Å; Q55-K59 WeakPolarHBondContact O-CB 3.27Å; Q55-K59 PolarHBondContact O-N 3.03Å; Q55-L161 HydrophobicContact CB-CD2 3.86Å
56	F	96.3	Very high	95	Very high	20 Å²	20	72.6 Å²	72.6	9%	0.088	37%	0.368	C	S	.	.	H	α-helix	trans	-63.3	-48	177.2	178.9	-91.2	0	0	0	110.7	E52 K53 S54 K59 L60 F78 Q158 L161 L162	E52-F56 VanDerWaalsContact O-CB 3.24Å; E52-F56 WeakPolarHBondContact O-CB 3.43Å; E52-F56 PolarHBondContact O-N 3.26Å; K53-F56 PolarHBondContact O-N 3.19Å; S54-F56 VanDerWaalsContact C-N 3.29Å; S54-F56 PolarHBondContact O-N 3.32Å; F56-K59 PolarHBondContact O-N 3.1Å; F56-L60 HydrophobicContact CE1-CD2 4.01Å; F56-L60 HydrophobicContact CZ-CD2 4.43Å; F56-L60 WeakPolarHBondContact O-CB 3.24Å; F56-L60 PolarHBondContact O-N 3.42Å; F56-F78 AromaticContact CE2-CD1 3.82Å; F56-F78 HydrophobicContact CE2-CD1 3.82Å; F56-F78 HydrophobicContact CE2-CE1 4.13Å; F56-F78 HydrophobicContact CE2-CG 4.39Å; F56-F78 HydrophobicContact CZ-CB 4.1Å; F56-F78 AromaticContact CZ-CD1 3.78Å; F56-F78 HydrophobicContact CZ-CD1 3.78Å; F56-F78 HydrophobicContact CZ-CE1 4.49Å; F56-F78 AromaticContact CZ-CG 3.94Å; F56-F78 HydrophobicContact CZ-CG 3.94Å; F56-Q158 HydrophobicContact CD2-CG 4.01Å; F56-Q158 HydrophobicContact CE2-CG 3.73Å; F56-Q158 PolarHBondContact O-NE2 3.33Å; F56-L161 HydrophobicContact CB-CD2 4.01Å; F56-L161 HydrophobicContact CB-CG 4.4Å; F56-L162 HydrophobicContact CD1-CD1 4.49Å; F56-L162 HydrophobicContact CD2-CB 3.96Å; F56-L162 HydrophobicContact CD2-CD1 3.97Å; F56-L162 HydrophobicContact CD2-CG 4.43Å; F56-L162 HydrophobicContact CE1-CD1 4.33Å; F56-L162 HydrophobicContact CE2-CB 3.75Å; F56-L162 HydrophobicContact CE2-CD1 3.8Å; F56-L162 HydrophobicContact CE2-CD2 3.87Å; F56-L162 HydrophobicContact CE2-CG 4.01Å; F56-L162 HydrophobicContact CG-CD1 4.33Å; F56-L162 HydrophobicContact CZ-CD1 3.99Å; F56-L162 HydrophobicContact CZ-CD2 4.01Å; F56-L162 HydrophobicContact CZ-CG 4.43Å
57	Q	96.4	Very high	94.4	Very high	93 Å²	93	69.2 Å²	69.2	44%	0.435	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-47.7	-179.8	-171.6	62.6	52.7	0	0	111.9	K53 S54 K59 L60 D61	K53-Q57 PolarHBondContact O-N 2.9Å; S54-Q57 PolarHBondContact O-N 3.28Å; Q57-K59 VanDerWaalsContact C-N 3.28Å; Q57-K59 PolarHBondContact O-N 3.37Å; Q57-L60 PolarHBondContact O-N 3.42Å; Q57-D61 PolarHBondContact NE2-OD1 3.14Å; Q57-D61 PolarHBondContact O-N 3.01Å
58	E	96	Very high	93.6	Very high	115 Å²	115	70.4 Å²	70.4	54%	0.537	36%	0.362	S	S	.	.	H	α-helix	trans	-55.6	-45.8	178.1	-178.8	175.6	-165.9	0	0	111	S54 D61 E62	S54-E58 WeakPolarHBondContact O-CB 3.46Å; S54-E58 PolarHBondContact O-N 3.39Å; E58-D61 PolarHBondContact O-N 2.92Å; E58-E62 WeakPolarHBondContact O-CG 3.49Å; E58-E62 PolarHBondContact O-N 3.15Å
59	K	93.6	Very high	93.1	Very high	64 Å²	64	76 Å²	76	28%	0.278	39%	0.393	S	S	.	.	H	α-helix	trans	-72.2	-34.2	-178.3	-165.7	56.8	171	-178.5	0	113.4	Q55 F56 Q57 D61 E62 M63 E154 Q158	Q55-K59 WeakPolarHBondContact O-CB 3.27Å; Q55-K59 PolarHBondContact O-N 3.03Å; F56-K59 PolarHBondContact O-N 3.1Å; Q57-K59 VanDerWaalsContact C-N 3.28Å; Q57-K59 PolarHBondContact O-N 3.37Å; K59-D61 VanDerWaalsContact C-N 3.34Å; K59-E62 HydrophobicContact CD-CB 4.37Å; K59-E62 WeakPolarHBondContact CD-OE2 3.32Å; K59-E62 WeakPolarHBondContact CE-OE2 3.2Å; K59-E62 IonicContact NZ-OE2 2.99Å; K59-E62 PolarHBondContact NZ-OE2 2.88Å; K59-E62 PolarHBondContact O-N 3.31Å; K59-M63 WeakPolarHBondContact O-CG 3.48Å; K59-M63 PolarHBondContact O-N 2.96Å; K59-E154 VanDerWaalsContact CE-CD 3.43Å; K59-E154 WeakPolarHBondContact CE-OE1 3.48Å; K59-E154 IonicContact NZ-OE1 2.68Å; K59-Q158 VanDerWaalsContact CB-OE1 3.3Å; K59-Q158 VanDerWaalsContact CG-OE1 3.29Å
60	L	93.7	Very high	92.6	Very high	19 Å²	19	76.6 Å²	76.6	10%	0.099	40%	0.395	C	S	.	.	H	α-helix	trans	-63	-43.2	172.9	-178.8	59.1	0	0	0	110.9	F56 Q57 M63 N64 I74 F78	F56-L60 HydrophobicContact CE1-CD2 4.01Å; F56-L60 HydrophobicContact CZ-CD2 4.43Å; F56-L60 WeakPolarHBondContact O-CB 3.24Å; F56-L60 PolarHBondContact O-N 3.42Å; Q57-L60 PolarHBondContact O-N 3.42Å; L60-M63 PolarHBondContact O-N 3.1Å; L60-N64 WeakPolarHBondContact O-CB 3.41Å; L60-N64 PolarHBondContact O-N 3.47Å; L60-I74 HydrophobicContact CD1-CG2 3.72Å; L60-F78 HydrophobicContact CD1-CD2 3.53Å; L60-F78 HydrophobicContact CD1-CE2 4.06Å; L60-F78 HydrophobicContact CD1-CG 4.36Å
61	D	93.9	Very high	92.2	Very high	73 Å²	73	74.2 Å²	74.2	39%	0.39	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-41.8	177.4	-64.2	-18.1	0	0	0	111.2	Q57 E58 K59 M63 N64 N65	Q57-D61 PolarHBondContact NE2-OD1 3.14Å; Q57-D61 PolarHBondContact O-N 3.01Å; E58-D61 PolarHBondContact O-N 2.92Å; K59-D61 VanDerWaalsContact C-N 3.34Å; D61-M63 PolarHBondContact O-N 3.38Å; D61-N64 PolarHBondContact O-N 3.02Å; D61-N65 WeakPolarHBondContact O-CB 3.45Å; D61-N65 VanDerWaalsContact O-CG 3.25Å; D61-N65 PolarHBondContact O-N 2.95Å; D61-N65 PolarHBondContact O-ND2 2.97Å
62	E	92.2	Very high	91.9	Very high	83 Å²	83	74 Å²	74	39%	0.388	39%	0.39	S	S	.	.	H	α-helix	trans	-59.6	-44.4	172.9	-75.2	-179.2	-174.3	0	0	112.7	E58 K59 N65 T66	E58-E62 WeakPolarHBondContact O-CG 3.49Å; E58-E62 PolarHBondContact O-N 3.15Å; K59-E62 HydrophobicContact CD-CB 4.37Å; K59-E62 WeakPolarHBondContact CD-OE2 3.32Å; K59-E62 WeakPolarHBondContact CE-OE2 3.2Å; K59-E62 IonicContact NZ-OE2 2.99Å; K59-E62 PolarHBondContact NZ-OE2 2.88Å; K59-E62 PolarHBondContact O-N 3.31Å; E62-N65 PolarHBondContact O-N 3.41Å; E62-T66 WeakPolarHBondContact O-CB 3.4Å; E62-T66 PolarHBondContact O-N 3.32Å; E62-T66 PolarHBondContact O-OG1 3.44Å
63	M	90.9	Very high	91.7	Very high	10 Å²	10	74.8 Å²	74.8	5%	0.049	40%	0.398	C	S	.	.	H	α-helix	trans	-63	-45.2	178.2	-71.4	172.2	72.6	0	0	111	K59 L60 D61 N65 T66 A67 I74 F78 T150 E154 I155 Q158	K59-M63 WeakPolarHBondContact O-CG 3.48Å; K59-M63 PolarHBondContact O-N 2.96Å; L60-M63 PolarHBondContact O-N 3.1Å; D61-M63 PolarHBondContact O-N 3.38Å; M63-N65 VanDerWaalsContact C-N 3.33Å; M63-N65 PolarHBondContact O-N 3.24Å; M63-T66 PolarHBondContact O-N 3.1Å; M63-A67 PolarHBondContact O-N 3.32Å; M63-I74 HydrophobicContact CE-CG2 4.34Å; M63-F78 HydrophobicContact CE-CE2 3.99Å; M63-F78 HydrophobicContact CE-CZ 4.37Å; M63-F78 HydrophobicContact SD-CE2 4.3Å; M63-T150 HydrophobicContact CE-CG2 3.98Å; M63-E154 HydrophobicContact CE-CB 4.41Å; M63-E154 HydrophobicContact CE-CG 4.24Å; M63-E154 HydrophobicContact CG-CG 4Å; M63-E154 HydrophobicContact SD-CG 4.01Å; M63-I155 HydrophobicContact CE-CD1 3.45Å; M63-I155 VanDerWaalsContact CE-CD1 3.45Å; M63-I155 HydrophobicContact CE-CG1 3.92Å; M63-Q158 HydrophobicContact SD-CB 4.17Å; M63-Q158 HydrophobicContact SD-CG 4.1Å
64	N	89.6	Confident	91.5	Very high	13 Å²	13	68.1 Å²	68.1	7%	0.07	37%	0.369	C	S	.	.	H	α-helix	trans	-63.2	-38.6	177.4	-78.5	-13.3	0	0	0	112.2	L60 D61 A67 F68 S71 E75	L60-N64 WeakPolarHBondContact O-CB 3.41Å; L60-N64 PolarHBondContact O-N 3.47Å; D61-N64 PolarHBondContact O-N 3.02Å; N64-A67 CarbonylContact O-C 3.46Å; N64-F68 WeakPolarHBondContact O-CA 3.23Å; N64-F68 PolarHBondContact O-N 2.94Å; N64-S71 WeakPolarHBondContact OD1-CA 3.29Å; N64-S71 PolarHBondContact OD1-O 3.36Å; N64-E75 PolarHBondContact ND2-OE1 3.38Å
65	N	89.7	Confident	91.3	Very high	125 Å²	125	68.8 Å²	68.8	67%	0.668	36%	0.364	S	S	*	.	H	α-helix	trans	-70.4	-39.6	176.6	-72.6	-35.8	0	0	0	112.3	D61 E62 M63	D61-N65 WeakPolarHBondContact O-CB 3.45Å; D61-N65 VanDerWaalsContact O-CG 3.25Å; D61-N65 PolarHBondContact O-N 2.95Å; D61-N65 PolarHBondContact O-ND2 2.97Å; E62-N65 PolarHBondContact O-N 3.41Å; M63-N65 VanDerWaalsContact C-N 3.33Å; M63-N65 PolarHBondContact O-N 3.24Å
66	T	87.7	Confident	91.1	Very high	127 Å²	127	70.2 Å²	70.2	78%	0.779	37%	0.37	S	S	*	.	H	α-helix	trans	-71.2	-40.8	-179.3	-56.1	0	0	0	0	111.7	E62 M63	E62-T66 WeakPolarHBondContact O-CB 3.4Å; E62-T66 PolarHBondContact O-N 3.32Å; E62-T66 PolarHBondContact O-OG1 3.44Å; M63-T66 PolarHBondContact O-N 3.1Å
67	A	84.3	Confident	91.1	Very high	25 Å²	25	70.2 Å²	70.2	21%	0.207	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	53.2	-179.9	0	0	0	0	0	110.7	M63 N64 N69 E70 S71 I74	M63-A67 PolarHBondContact O-N 3.32Å; N64-A67 CarbonylContact O-C 3.46Å; A67-N69 PolarHBondContact O-N 2.86Å; A67-N69 VanDerWaalsContact O-N 3.08Å; A67-E70 HydrophobicContact CB-CB 4.32Å; A67-E70 CarbonylContact O-C 3.57Å; A67-E70 WeakPolarHBondContact O-CA 3.04Å; A67-E70 PolarHBondContact O-N 3.43Å; A67-S71 PolarHBondContact O-N 3.47Å; A67-S71 VanDerWaalsContact O-N 3.11Å; A67-I74 HydrophobicContact CB-CD1 3.9Å
68	F	82.2	Confident	91	Very high	147 Å²	147	65.9 Å²	65.9	65%	0.645	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-49.6	-41.4	-173.1	-176.6	-100.4	0	0	0	114.2	N64 E70 S71	N64-F68 WeakPolarHBondContact O-CA 3.23Å; N64-F68 PolarHBondContact O-N 2.94Å; F68-E70 PolarHBondContact O-N 3.49Å; F68-S71 WeakPolarHBondContact O-CB 3.29Å; F68-S71 PolarHBondContact O-N 3.42Å; F68-S71 PolarHBondContact O-OG 3.5Å
69	N	86.3	Confident	91	Very high	161 Å²	161	65.7 Å²	65.7	86%	0.861	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-68.4	-15.5	178.5	-64.7	-22.4	0	0	0	114.1	A67	A67-N69 PolarHBondContact O-N 2.86Å; A67-N69 VanDerWaalsContact O-N 3.08Å
70	E	86.9	Confident	91.1	Very high	38 Å²	38	64.3 Å²	64.3	18%	0.178	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-111.2	0.1	177.5	-62.8	-157.8	136.4	0	0	113.5	A67 F68 A72 S73 I74 A149 T150	A67-E70 HydrophobicContact CB-CB 4.32Å; A67-E70 CarbonylContact O-C 3.57Å; A67-E70 WeakPolarHBondContact O-CA 3.04Å; A67-E70 PolarHBondContact O-N 3.43Å; F68-E70 PolarHBondContact O-N 3.49Å; E70-A72 PolarHBondContact O-N 3.42Å; E70-A72 VanDerWaalsContact O-N 3.08Å; E70-S73 PolarHBondContact O-N 3.03Å; E70-S73 PolarHBondContact O-OG 3.47Å; E70-I74 HydrophobicContact CB-CD1 4.26Å; E70-I74 HydrophobicContact CB-CG1 4.43Å; E70-I74 PolarHBondContact O-N 2.88Å; E70-A149 VanDerWaalsContact CD-CB 3.41Å; E70-A149 HydrophobicContact CG-CB 4.5Å; E70-A149 WeakPolarHBondContact OE1-CA 3.37Å; E70-A149 WeakPolarHBondContact OE1-CB 3.48Å; E70-A149 PolarHBondContact OE1-N 3.23Å; E70-A149 WeakPolarHBondContact OE2-CA 3.49Å; E70-A149 PolarHBondContact OE2-N 3.04Å; E70-T150 PolarHBondContact OE2-N 3.48Å; E70-T150 PolarHBondContact OE2-OG1 2.91Å
71	S	89.7	Confident	91.2	Very high	31 Å²	31	63.7 Å²	63.7	22%	0.217	35%	0.347	C	S	.	.	H	α-helix	trans	-44.8	-46.5	-179	51.5	0	0	0	0	113.2	N64 A67 F68 S73 I74 E75	N64-S71 WeakPolarHBondContact OD1-CA 3.29Å; N64-S71 PolarHBondContact OD1-O 3.36Å; A67-S71 PolarHBondContact O-N 3.47Å; A67-S71 VanDerWaalsContact O-N 3.11Å; F68-S71 WeakPolarHBondContact O-CB 3.29Å; F68-S71 PolarHBondContact O-N 3.42Å; F68-S71 PolarHBondContact O-OG 3.5Å; S71-S73 PolarHBondContact O-N 3.34Å; S71-I74 PolarHBondContact O-N 3.26Å; S71-E75 WeakPolarHBondContact O-CB 3.28Å; S71-E75 WeakPolarHBondContact O-CG 3.25Å; S71-E75 PolarHBondContact O-N 2.97Å
72	A	91.7	Very high	91.3	Very high	71 Å²	71	61.4 Å²	61.4	59%	0.587	34%	0.336	S	S	*	.	H	α-helix	trans	-60.8	-40.3	177.6	0	0	0	0	0	113.7	E70 E76	E70-A72 PolarHBondContact O-N 3.42Å; E70-A72 VanDerWaalsContact O-N 3.08Å; A72-E76 VanDerWaalsContact O-CB 3.31Å; A72-E76 WeakPolarHBondContact O-CB 3.43Å; A72-E76 PolarHBondContact O-N 3.33Å
73	S	92.5	Very high	91.4	Very high	38 Å²	38	63.2 Å²	63.2	27%	0.266	34%	0.339	S	S	.	.	H	α-helix	trans	-75.7	-33.9	179.7	71.3	0	0	0	0	111.9	E70 S71 Y77	E70-S73 PolarHBondContact O-N 3.03Å; E70-S73 PolarHBondContact O-OG 3.47Å; S71-S73 PolarHBondContact O-N 3.34Å; S73-Y77 WeakPolarHBondContact O-CB 3.35Å; S73-Y77 PolarHBondContact O-N 3.32Å
74	I	92.8	Very high	91.6	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-49.1	172.4	-66	169.6	0	0	0	110.1	L60 M63 A67 E70 S71 Y77 F78 P147 T150	L60-I74 HydrophobicContact CD1-CG2 3.72Å; M63-I74 HydrophobicContact CE-CG2 4.34Å; A67-I74 HydrophobicContact CB-CD1 3.9Å; E70-I74 HydrophobicContact CB-CD1 4.26Å; E70-I74 HydrophobicContact CB-CG1 4.43Å; E70-I74 PolarHBondContact O-N 2.88Å; S71-I74 PolarHBondContact O-N 3.26Å; I74-Y77 PolarHBondContact O-N 2.95Å; I74-F78 HydrophobicContact CG2-CD2 3.85Å; I74-F78 HydrophobicContact CG2-CE2 3.88Å; I74-F78 WeakPolarHBondContact O-CD2 3.32Å; I74-F78 PolarHBondContact O-N 3.09Å; I74-P147 HydrophobicContact CB-CG 4.45Å; I74-P147 HydrophobicContact CG1-CB 4.26Å; I74-P147 HydrophobicContact CG1-CG 3.89Å; I74-T150 HydrophobicContact CD1-CG2 4.15Å; I74-T150 HydrophobicContact CG1-CG2 4.44Å
75	E	93.4	Very high	91.9	Very high	90 Å²	90	63.1 Å²	63.1	42%	0.421	34%	0.338	S	S	.	.	H	α-helix	trans	-62.3	-44.3	177.1	-74.8	179.6	-172.5	0	0	112	N64 S71 Y77 F78 N79	N64-E75 PolarHBondContact ND2-OE1 3.38Å; S71-E75 WeakPolarHBondContact O-CB 3.28Å; S71-E75 WeakPolarHBondContact O-CG 3.25Å; S71-E75 PolarHBondContact O-N 2.97Å; E75-Y77 VanDerWaalsContact C-N 3.32Å; E75-Y77 PolarHBondContact O-N 3.4Å; E75-F78 PolarHBondContact O-N 2.87Å; E75-N79 VanDerWaalsContact O-CB 3.23Å; E75-N79 WeakPolarHBondContact O-CB 3.43Å; E75-N79 PolarHBondContact O-N 3.43Å; E75-N79 PolarHBondContact O-ND2 3.37Å
76	E	93.9	Very high	92.1	Very high	132 Å²	132	62.4 Å²	62.4	62%	0.617	33%	0.329	S	S	*	.	H	α-helix	trans	-57.6	-45.6	176.2	-174.2	179.4	-174.5	0	0	111.4	A72 N79 C80	A72-E76 VanDerWaalsContact O-CB 3.31Å; A72-E76 WeakPolarHBondContact O-CB 3.43Å; A72-E76 PolarHBondContact O-N 3.33Å; E76-N79 PolarHBondContact O-N 3.03Å; E76-C80 WeakPolarHBondContact O-CB 3.38Å; E76-C80 PolarHBondContact O-N 2.92Å
77	Y	94.7	Very high	92.4	Very high	19 Å²	19	57 Å²	57	8%	0.075	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-52.3	176.7	173.4	-100.8	0	0	0	111.9	S73 I74 E75 N79 C80 I81 C144 R145 K146 I155 T159	S73-Y77 WeakPolarHBondContact O-CB 3.35Å; S73-Y77 PolarHBondContact O-N 3.32Å; I74-Y77 PolarHBondContact O-N 2.95Å; E75-Y77 VanDerWaalsContact C-N 3.32Å; E75-Y77 PolarHBondContact O-N 3.4Å; Y77-N79 VanDerWaalsContact C-N 3.33Å; Y77-N79 PolarHBondContact O-N 3.47Å; Y77-C80 WeakPolarHBondContact O-CB 3.42Å; Y77-C80 PolarHBondContact O-N 3.46Å; Y77-C80 VanDerWaalsContact O-N 3.16Å; Y77-I81 HydrophobicContact CD1-CG1 4.33Å; Y77-I81 HydrophobicContact CD2-CG1 4.22Å; Y77-I81 HydrophobicContact CE1-CG1 3.87Å; Y77-I81 HydrophobicContact CE2-CD1 3.95Å; Y77-I81 HydrophobicContact CE2-CG1 3.77Å; Y77-I81 HydrophobicContact CG-CG1 4.49Å; Y77-I81 WeakPolarHBondContact O-CG1 3.41Å; Y77-I81 PolarHBondContact O-N 2.86Å; Y77-C144 HydrophobicContact CD2-CB 4.21Å; Y77-C144 HydrophobicContact CE2-CB 4.28Å; Y77-R145 WeakPolarHBondContact CD2-O 3.22Å; Y77-K146 HydrophobicContact CD2-CB 4.43Å; Y77-K146 HydrophobicContact CE2-CB 4.33Å; Y77-K146 HydrophobicContact CE2-CG 4.39Å; Y77-I155 HydrophobicContact CD1-CD1 4.36Å; Y77-I155 HydrophobicContact CD1-CG2 4.16Å; Y77-I155 HydrophobicContact CE1-CG2 3.47Å; Y77-I155 VanDerWaalsContact CE1-CG2 3.47Å; Y77-T159 PolarHBondContact OH-OG1 3.03Å; Y77-T159 VanDerWaalsContact OH-OG1 3.06Å
78	F	95.5	Very high	92.9	Very high	3 Å²	3	59.2 Å²	59.2	1%	0.013	30%	0.301	C	S	.	.	H	α-helix	trans	-69	-30.7	-178.4	-78.2	-62.5	0	0	0	113.2	F56 L60 M63 I74 E75 T82 I155 Q158 L162	F56-F78 AromaticContact CE2-CD1 3.82Å; F56-F78 HydrophobicContact CE2-CD1 3.82Å; F56-F78 HydrophobicContact CE2-CE1 4.13Å; F56-F78 HydrophobicContact CE2-CG 4.39Å; F56-F78 HydrophobicContact CZ-CB 4.1Å; F56-F78 AromaticContact CZ-CD1 3.78Å; F56-F78 HydrophobicContact CZ-CD1 3.78Å; F56-F78 HydrophobicContact CZ-CE1 4.49Å; F56-F78 AromaticContact CZ-CG 3.94Å; F56-F78 HydrophobicContact CZ-CG 3.94Å; L60-F78 HydrophobicContact CD1-CD2 3.53Å; L60-F78 HydrophobicContact CD1-CE2 4.06Å; L60-F78 HydrophobicContact CD1-CG 4.36Å; M63-F78 HydrophobicContact CE-CE2 3.99Å; M63-F78 HydrophobicContact CE-CZ 4.37Å; M63-F78 HydrophobicContact SD-CE2 4.3Å; I74-F78 HydrophobicContact CG2-CD2 3.85Å; I74-F78 HydrophobicContact CG2-CE2 3.88Å; I74-F78 WeakPolarHBondContact O-CD2 3.32Å; I74-F78 PolarHBondContact O-N 3.09Å; E75-F78 PolarHBondContact O-N 2.87Å; F78-T82 WeakPolarHBondContact O-CB 3.45Å; F78-T82 PolarHBondContact O-N 3.19Å; F78-T82 PolarHBondContact O-OG1 2.96Å; F78-I155 HydrophobicContact CE2-CD1 3.93Å; F78-I155 HydrophobicContact CZ-CD1 4.09Å; F78-Q158 HydrophobicContact CD1-CG 4.38Å; F78-Q158 HydrophobicContact CE1-CB 3.88Å; F78-Q158 HydrophobicContact CE1-CG 3.53Å; F78-Q158 HydrophobicContact CE2-CB 4.42Å; F78-Q158 HydrophobicContact CE2-CG 3.91Å; F78-Q158 HydrophobicContact CZ-CB 3.5Å; F78-Q158 HydrophobicContact CZ-CG 3.28Å; F78-L162 HydrophobicContact CD1-CD2 4.21Å
79	N	95.2	Very high	93.5	Very high	111 Å²	111	53 Å²	53	59%	0.594	28%	0.275	S	S	*	.	H	α-helix	trans	-63.7	-42.7	170.7	-76.9	-34.8	0	0	0	111.3	E75 E76 Y77 R83	E75-N79 VanDerWaalsContact O-CB 3.23Å; E75-N79 WeakPolarHBondContact O-CB 3.43Å; E75-N79 PolarHBondContact O-N 3.43Å; E75-N79 PolarHBondContact O-ND2 3.37Å; E76-N79 PolarHBondContact O-N 3.03Å; Y77-N79 VanDerWaalsContact C-N 3.33Å; Y77-N79 PolarHBondContact O-N 3.47Å; N79-R83 PolarHBondContact O-N 3.4Å; N79-R83 VanDerWaalsContact O-N 3.08Å
80	C	95.9	Very high	93.9	Very high	35 Å²	35	48.7 Å²	48.7	24%	0.236	25%	0.25	C	S	.	.	H	α-helix	trans	-62.4	-52.9	174.9	-175.7	0	0	0	0	111.5	E76 Y77 T82 R83 V84 C144	E76-C80 WeakPolarHBondContact O-CB 3.38Å; E76-C80 PolarHBondContact O-N 2.92Å; Y77-C80 WeakPolarHBondContact O-CB 3.42Å; Y77-C80 PolarHBondContact O-N 3.46Å; Y77-C80 VanDerWaalsContact O-N 3.16Å; C80-T82 VanDerWaalsContact C-N 3.3Å; C80-T82 PolarHBondContact O-N 3.03Å; C80-R83 WeakPolarHBondContact O-CB 3.39Å; C80-R83 PolarHBondContact O-N 3.41Å; C80-V84 WeakPolarHBondContact O-CG2 3.45Å; C80-V84 PolarHBondContact O-N 3.47Å; C80-C144 HydrophobicContact CB-CB 3.7Å; C80-C144 WeakPolarHBondContact CB-SG 3.23Å; C80-C144 WeakPolarHBondContact SG-CA 3.41Å; C80-C144 WeakPolarHBondContact SG-CB 3.44Å; C80-C144 CovalentContact SG-SG 2.04Å; C80-C144 PolarHBondContact SG-SG 3.28Å
81	I	95.4	Very high	94.2	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-42.2	179.3	-64.5	-65.5	0	0	0	111.3	Y77 R83 V84 F85 T141 C144 T159 L162	Y77-I81 HydrophobicContact CD1-CG1 4.33Å; Y77-I81 HydrophobicContact CD2-CG1 4.22Å; Y77-I81 HydrophobicContact CE1-CG1 3.87Å; Y77-I81 HydrophobicContact CE2-CD1 3.95Å; Y77-I81 HydrophobicContact CE2-CG1 3.77Å; Y77-I81 HydrophobicContact CG-CG1 4.49Å; Y77-I81 WeakPolarHBondContact O-CG1 3.41Å; Y77-I81 PolarHBondContact O-N 2.86Å; I81-R83 VanDerWaalsContact C-N 3.28Å; I81-R83 PolarHBondContact O-N 3.24Å; I81-V84 PolarHBondContact O-N 3Å; I81-V84 VanDerWaalsContact O-N 3.15Å; I81-F85 HydrophobicContact CG2-CD1 4.45Å; I81-F85 HydrophobicContact CG2-CD2 3.89Å; I81-F85 HydrophobicContact CG2-CE1 4.23Å; I81-F85 HydrophobicContact CG2-CE2 3.58Å; I81-F85 HydrophobicContact CG2-CG 4.31Å; I81-F85 HydrophobicContact CG2-CZ 3.79Å; I81-F85 PolarHBondContact O-N 3.39Å; I81-T141 HydrophobicContact CD1-CG2 4.12Å; I81-C144 HydrophobicContact CD1-CB 3.83Å; I81-C144 HydrophobicContact CG1-CB 4.26Å; I81-T159 HydrophobicContact CG2-CG2 4.33Å; I81-L162 HydrophobicContact CB-CD2 4.34Å; I81-L162 HydrophobicContact CG2-CD2 3.77Å
82	T	95.9	Very high	94.5	Very high	25 Å²	25	51.6 Å²	51.6	15%	0.153	26%	0.262	C	S	.	.	H	α-helix	trans	-57.7	-41.5	175.6	-65.8	0	0	0	0	111.6	F78 C80 K86 F166	F78-T82 WeakPolarHBondContact O-CB 3.45Å; F78-T82 PolarHBondContact O-N 3.19Å; F78-T82 PolarHBondContact O-OG1 2.96Å; C80-T82 VanDerWaalsContact C-N 3.3Å; C80-T82 PolarHBondContact O-N 3.03Å; T82-K86 HydrophobicContact CG2-CD 4.29Å; T82-K86 WeakPolarHBondContact O-CB 3.34Å; T82-K86 VanDerWaalsContact O-CG 3.24Å; T82-K86 WeakPolarHBondContact O-CG 3.35Å; T82-K86 PolarHBondContact O-N 3.32Å; T82-F166 HydrophobicContact CG2-CE2 4.16Å; T82-F166 HydrophobicContact CG2-CZ 3.9Å
83	R	94.6	Very high	94.8	Very high	121 Å²	121	49.4 Å²	49.4	46%	0.457	24%	0.24	S	C	.	.	H	α-helix	trans	-64.5	-44.4	176.1	-176.4	-173.4	-179.4	157.7	10.3	111.3	N79 C80 I81 K86 L87 E135 K139	N79-R83 PolarHBondContact O-N 3.4Å; N79-R83 VanDerWaalsContact O-N 3.08Å; C80-R83 WeakPolarHBondContact O-CB 3.39Å; C80-R83 PolarHBondContact O-N 3.41Å; I81-R83 VanDerWaalsContact C-N 3.28Å; I81-R83 PolarHBondContact O-N 3.24Å; R83-K86 WeakPolarHBondContact O-CB 3.07Å; R83-K86 PolarHBondContact O-N 3.08Å; R83-L87 HydrophobicContact CG-CD1 4.43Å; R83-L87 WeakPolarHBondContact O-CG 3.49Å; R83-L87 PolarHBondContact O-N 2.94Å; R83-L87 VanDerWaalsContact O-N 3.12Å; R83-E135 IonicContact CZ-OE1 2.88Å; R83-E135 IonicContact NE-OE1 2.67Å; R83-E135 IonicContact NH2-OE1 2.79Å; R83-E135 PolarHBondContact NH2-OE1 3.42Å; R83-K139 VanDerWaalsContact CZ-CE 3.48Å; R83-K139 VanDerWaalsContact NH2-CD 3.3Å; R83-K139 VanDerWaalsContact NH2-NZ 3.15Å
84	V	95.1	Very high	94.9	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-47.5	179.7	-178.5	0	0	0	0	111	C80 I81 K86 L87 Q88 L136 K139 T141	C80-V84 WeakPolarHBondContact O-CG2 3.45Å; C80-V84 PolarHBondContact O-N 3.47Å; I81-V84 PolarHBondContact O-N 3Å; I81-V84 VanDerWaalsContact O-N 3.15Å; V84-K86 VanDerWaalsContact C-N 3.32Å; V84-K86 PolarHBondContact O-N 3.21Å; V84-L87 PolarHBondContact O-N 3.36Å; V84-L87 VanDerWaalsContact O-N 3.12Å; V84-Q88 HydrophobicContact CG1-CG 4.37Å; V84-Q88 WeakPolarHBondContact O-CG 3.46Å; V84-Q88 PolarHBondContact O-N 3.1Å; V84-L136 HydrophobicContact CG1-CD2 4.06Å; V84-K139 WeakPolarHBondContact CG2-O 3.46Å; V84-T141 HydrophobicContact CB-CG2 4.01Å; V84-T141 HydrophobicContact CG1-CG2 3.52Å; V84-T141 HydrophobicContact CG2-CG2 4.34Å
85	F	95.7	Very high	95	Very high	20 Å²	20	51.6 Å²	51.6	9%	0.088	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-37.5	177.8	-71	-8.6	0	0	0	112.5	I81 L87 Q88 I89 T159 L162 F166	I81-F85 HydrophobicContact CG2-CD1 4.45Å; I81-F85 HydrophobicContact CG2-CD2 3.89Å; I81-F85 HydrophobicContact CG2-CE1 4.23Å; I81-F85 HydrophobicContact CG2-CE2 3.58Å; I81-F85 HydrophobicContact CG2-CG 4.31Å; I81-F85 HydrophobicContact CG2-CZ 3.79Å; I81-F85 PolarHBondContact O-N 3.39Å; F85-L87 VanDerWaalsContact C-N 3.32Å; F85-L87 PolarHBondContact O-N 3.48Å; F85-Q88 PolarHBondContact O-N 2.93Å; F85-I89 WeakPolarHBondContact O-CG1 3.48Å; F85-I89 WeakPolarHBondContact O-CG2 3.42Å; F85-I89 PolarHBondContact O-N 3.23Å; F85-T159 HydrophobicContact CZ-CG2 4.21Å; F85-L162 HydrophobicContact CD2-CB 4.44Å; F85-L162 HydrophobicContact CD2-CD2 4.3Å; F85-L162 HydrophobicContact CD2-CG 3.96Å; F85-L162 HydrophobicContact CE2-CB 4.21Å; F85-L162 HydrophobicContact CE2-CD2 4.45Å; F85-L162 HydrophobicContact CE2-CG 4.19Å; F85-F166 HydrophobicContact CB-CB 4.06Å; F85-F166 HydrophobicContact CB-CD1 3.93Å; F85-F166 HydrophobicContact CB-CD2 3.56Å; F85-F166 HydrophobicContact CB-CE1 4.32Å; F85-F166 HydrophobicContact CB-CE2 3.95Å; F85-F166 HydrophobicContact CB-CG 3.56Å; F85-F166 HydrophobicContact CB-CZ 4.32Å; F85-F166 HydrophobicContact CD2-CB 4.44Å; F85-F166 AromaticContact CD2-CD2 3.76Å; F85-F166 HydrophobicContact CD2-CD2 3.76Å; F85-F166 HydrophobicContact CD2-CE2 4.43Å; F85-F166 HydrophobicContact CD2-CG 4.3Å; F85-F166 HydrophobicContact CG-CD2 4.17Å; F85-F166 HydrophobicContact CG-CG 4.38Å
86	K	94.7	Very high	95.2	Very high	110 Å²	110	50.8 Å²	50.8	48%	0.478	25%	0.248	S	C	.	.	H	α-helix	trans	-55.5	-47.7	171.3	-80	171.9	-178.4	174.7	0	111.7	T82 R83 V84 I89 I90 F166	T82-K86 HydrophobicContact CG2-CD 4.29Å; T82-K86 WeakPolarHBondContact O-CB 3.34Å; T82-K86 VanDerWaalsContact O-CG 3.24Å; T82-K86 WeakPolarHBondContact O-CG 3.35Å; T82-K86 PolarHBondContact O-N 3.32Å; R83-K86 WeakPolarHBondContact O-CB 3.07Å; R83-K86 PolarHBondContact O-N 3.08Å; V84-K86 VanDerWaalsContact C-N 3.32Å; V84-K86 PolarHBondContact O-N 3.21Å; K86-I89 VanDerWaalsContact O-CG1 3.27Å; K86-I89 WeakPolarHBondContact O-CG1 3.24Å; K86-I90 WeakPolarHBondContact O-CD1 3.06Å; K86-I90 WeakPolarHBondContact O-CG1 3.49Å; K86-I90 PolarHBondContact O-N 2.97Å; K86-I90 VanDerWaalsContact O-N 3.1Å; K86-F166 HydrophobicContact CB-CE1 4.21Å; K86-F166 HydrophobicContact CG-CE1 3.4Å; K86-F166 VanDerWaalsContact CG-CE1 3.4Å; K86-F166 HydrophobicContact CG-CZ 3.64Å
87	L	94.3	Very high	95.2	Very high	13 Å²	13	44.6 Å²	44.6	7%	0.068	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-46.6	179.4	-68.4	169.8	0	0	0	110.9	R83 V84 F85 I89 I90 D91 V132 E135 L136	R83-L87 HydrophobicContact CG-CD1 4.43Å; R83-L87 WeakPolarHBondContact O-CG 3.49Å; R83-L87 PolarHBondContact O-N 2.94Å; R83-L87 VanDerWaalsContact O-N 3.12Å; V84-L87 PolarHBondContact O-N 3.36Å; V84-L87 VanDerWaalsContact O-N 3.12Å; F85-L87 VanDerWaalsContact C-N 3.32Å; F85-L87 PolarHBondContact O-N 3.48Å; L87-I89 PolarHBondContact O-N 3.26Å; L87-I90 PolarHBondContact O-N 3.23Å; L87-I90 VanDerWaalsContact O-N 3.11Å; L87-D91 PolarHBondContact O-N 3.27Å; L87-V132 HydrophobicContact CB-CG1 3.92Å; L87-V132 HydrophobicContact CD2-CG1 4.02Å; L87-V132 HydrophobicContact CD2-CG2 4.41Å; L87-V132 WeakPolarHBondContact O-CG1 3.44Å; L87-E135 HydrophobicContact CD1-CB 4.29Å; L87-E135 HydrophobicContact CD1-CG 3.68Å; L87-E135 HydrophobicContact CD2-CB 4.36Å; L87-E135 HydrophobicContact CD2-CG 4.19Å; L87-E135 WeakPolarHBondContact CD2-OE2 3.18Å; L87-L136 HydrophobicContact CB-CD1 4.38Å; L87-L136 HydrophobicContact CB-CD2 3.48Å; L87-L136 VanDerWaalsContact CB-CD2 3.48Å; L87-L136 HydrophobicContact CB-CG 3.77Å; L87-L136 HydrophobicContact CD1-CD2 4.28Å
88	Q	94.8	Very high	95.3	Very high	72 Å²	72	44 Å²	44	34%	0.336	22%	0.217	S	C	.	.	H	α-helix	trans	-55.4	-48.9	177.2	-72.4	177.8	-25.3	0	0	112.1	V84 F85 I90 D91 E92 L136	V84-Q88 HydrophobicContact CG1-CG 4.37Å; V84-Q88 WeakPolarHBondContact O-CG 3.46Å; V84-Q88 PolarHBondContact O-N 3.1Å; F85-Q88 PolarHBondContact O-N 2.93Å; Q88-I90 VanDerWaalsContact C-N 3.3Å; Q88-I90 PolarHBondContact O-N 3.06Å; Q88-D91 PolarHBondContact O-N 3.05Å; Q88-E92 WeakPolarHBondContact O-CG 3.43Å; Q88-E92 PolarHBondContact O-N 3.08Å; Q88-L136 HydrophobicContact CG-CD1 4.16Å; Q88-L136 HydrophobicContact CG-CD2 3.77Å
89	I	95.5	Very high	95.4	Very high	17 Å²	17	47.4 Å²	47.4	9%	0.087	23%	0.233	C	C	.	.	H	α-helix	trans	-68.5	-29.7	-179.9	66.4	154.5	0	0	0	112.6	F85 K86 L87 I93 F166 V169	F85-I89 WeakPolarHBondContact O-CG1 3.48Å; F85-I89 WeakPolarHBondContact O-CG2 3.42Å; F85-I89 PolarHBondContact O-N 3.23Å; K86-I89 VanDerWaalsContact O-CG1 3.27Å; K86-I89 WeakPolarHBondContact O-CG1 3.24Å; L87-I89 PolarHBondContact O-N 3.26Å; I89-I93 HydrophobicContact CD1-CD1 4.43Å; I89-I93 VanDerWaalsContact O-CB 3.28Å; I89-I93 WeakPolarHBondContact O-CB 3.39Å; I89-I93 WeakPolarHBondContact O-CD1 3.34Å; I89-I93 WeakPolarHBondContact O-CG1 3.22Å; I89-I93 PolarHBondContact O-N 3.14Å; I89-F166 HydrophobicContact CD1-CD1 3.69Å; I89-F166 HydrophobicContact CD1-CE1 4.17Å; I89-F166 HydrophobicContact CG1-CD1 4Å; I89-F166 HydrophobicContact CG2-CB 4.02Å; I89-F166 HydrophobicContact CG2-CD1 4.2Å; I89-V169 HydrophobicContact CD1-CB 4.22Å; I89-V169 HydrophobicContact CD1-CG1 3.61Å
90	I	93.6	Very high	95.4	Very high	69 Å²	69	42.7 Å²	42.7	35%	0.354	21%	0.208	S	C	.	.	H	α-helix	trans	-67	-43.3	176.1	-69	162.5	0	0	0	110	K86 L87 Q88 N94 V132	K86-I90 WeakPolarHBondContact O-CD1 3.06Å; K86-I90 WeakPolarHBondContact O-CG1 3.49Å; K86-I90 PolarHBondContact O-N 2.97Å; K86-I90 VanDerWaalsContact O-N 3.1Å; L87-I90 PolarHBondContact O-N 3.23Å; L87-I90 VanDerWaalsContact O-N 3.11Å; Q88-I90 VanDerWaalsContact C-N 3.3Å; Q88-I90 PolarHBondContact O-N 3.06Å; I90-N94 WeakPolarHBondContact CG2-ND2 3.42Å; I90-N94 WeakPolarHBondContact O-CB 3.17Å; I90-N94 PolarHBondContact O-N 3.49Å; I90-N94 PolarHBondContact O-ND2 3.05Å; I90-V132 HydrophobicContact CB-CG1 4.39Å; I90-V132 HydrophobicContact CB-CG2 4.33Å; I90-V132 HydrophobicContact CG2-CG2 3.72Å
91	D	94.2	Very high	95.4	Very high	41 Å²	41	41 Å²	41	22%	0.219	20%	0.197	C	C	.	.	H	α-helix	trans	-57.6	-52.4	174.2	-173.6	53.3	0	0	0	110.8	L87 Q88 I93 N94 T95 A129 V132 L136	L87-D91 PolarHBondContact O-N 3.27Å; Q88-D91 PolarHBondContact O-N 3.05Å; D91-I93 PolarHBondContact O-N 3.46Å; D91-N94 PolarHBondContact O-N 3Å; D91-T95 PolarHBondContact O-N 3.39Å; D91-T95 PolarHBondContact O-OG1 3.21Å; D91-A129 WeakPolarHBondContact OD1-CB 3.49Å; D91-V132 HydrophobicContact CB-CG1 4.02Å; D91-L136 HydrophobicContact CB-CD1 4.45Å
92	E	96	Very high	95.4	Very high	90 Å²	90	44.3 Å²	44.3	42%	0.421	21%	0.211	S	C	.	.	H	α-helix	trans	-61	-43.9	179.4	-69.8	178.2	-170	0	0	113.2	Q88 N94 T95 E96 Y170	Q88-E92 WeakPolarHBondContact O-CG 3.43Å; Q88-E92 PolarHBondContact O-N 3.08Å; E92-N94 VanDerWaalsContact C-N 3.32Å; E92-N94 PolarHBondContact O-N 3.41Å; E92-T95 PolarHBondContact O-N 2.93Å; E92-E96 VanDerWaalsContact O-CB 3.28Å; E92-E96 WeakPolarHBondContact O-CB 3.46Å; E92-E96 PolarHBondContact O-N 3.4Å; E92-Y170 HydrophobicContact CB-CD2 3.94Å; E92-Y170 HydrophobicContact CB-CE2 3.85Å
93	I	96.4	Very high	95.3	Very high	25 Å²	25	48.1 Å²	48.1	13%	0.128	23%	0.23	C	C	.	.	H	α-helix	trans	-58.6	-47.6	176.3	-73.5	164.5	0	0	0	109.5	I89 D91 E96 C97 Y170 N173 V174	I89-I93 HydrophobicContact CD1-CD1 4.43Å; I89-I93 VanDerWaalsContact O-CB 3.28Å; I89-I93 WeakPolarHBondContact O-CB 3.39Å; I89-I93 WeakPolarHBondContact O-CD1 3.34Å; I89-I93 WeakPolarHBondContact O-CG1 3.22Å; I89-I93 PolarHBondContact O-N 3.14Å; D91-I93 PolarHBondContact O-N 3.46Å; I93-E96 PolarHBondContact O-N 3.47Å; I93-C97 WeakPolarHBondContact O-CB 3.03Å; I93-C97 PolarHBondContact O-N 3.37Å; I93-C97 PolarHBondContact O-SG 3.22Å; I93-Y170 HydrophobicContact CG1-CD2 3.82Å; I93-N173 HydrophobicContact CD1-CB 3.61Å; I93-N173 HydrophobicContact CG1-CB 4.1Å; I93-V174 HydrophobicContact CG1-CG2 4.37Å
94	N	94.6	Very high	95.2	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.064	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-43.6	-176.2	-76.9	-31.4	0	0	0	111.9	I90 D91 E92 V98 F125 D128 A129	I90-N94 WeakPolarHBondContact CG2-ND2 3.42Å; I90-N94 WeakPolarHBondContact O-CB 3.17Å; I90-N94 PolarHBondContact O-N 3.49Å; I90-N94 PolarHBondContact O-ND2 3.05Å; D91-N94 PolarHBondContact O-N 3Å; E92-N94 VanDerWaalsContact C-N 3.32Å; E92-N94 PolarHBondContact O-N 3.41Å; N94-V98 WeakPolarHBondContact O-CG2 3.46Å; N94-V98 PolarHBondContact O-N 3.39Å; N94-F125 HydrophobicContact CB-CB 4.29Å; N94-F125 WeakPolarHBondContact CB-O 3.38Å; N94-F125 VanDerWaalsContact OD1-CD1 3.22Å; N94-F125 WeakPolarHBondContact OD1-CD1 3.38Å; N94-D128 VanDerWaalsContact ND2-CB 3.33Å; N94-D128 WeakPolarHBondContact ND2-CB 3.08Å; N94-A129 HydrophobicContact CB-CB 3.85Å; N94-A129 PolarHBondContact ND2-N 2.95Å
95	T	95.8	Very high	95.1	Very high	72 Å²	72	44.7 Å²	44.7	44%	0.442	22%	0.22	S	C	.	.	H	α-helix	trans	-62.1	-48.8	174.9	-57.5	0	0	0	0	111.5	D91 E92 C97 V98 E99	D91-T95 PolarHBondContact O-N 3.39Å; D91-T95 PolarHBondContact O-OG1 3.21Å; E92-T95 PolarHBondContact O-N 2.93Å; T95-C97 PolarHBondContact O-N 3.01Å; T95-V98 WeakPolarHBondContact O-CB 3.28Å; T95-V98 PolarHBondContact O-N 3.15Å; T95-E99 PolarHBondContact O-N 3.34Å
96	E	96.8	Very high	94.9	Very high	73 Å²	73	50.1 Å²	50.1	34%	0.341	25%	0.25	S	C	.	.	H	α-helix	trans	-64.8	-38.9	-178	-170.6	67.6	-169.3	0	0	111.8	E92 I93 V98 E99 I100 Y170 V174	E92-E96 VanDerWaalsContact O-CB 3.28Å; E92-E96 WeakPolarHBondContact O-CB 3.46Å; E92-E96 PolarHBondContact O-N 3.4Å; I93-E96 PolarHBondContact O-N 3.47Å; E96-V98 VanDerWaalsContact C-N 3.28Å; E96-V98 PolarHBondContact O-N 2.84Å; E96-E99 PolarHBondContact O-N 2.93Å; E96-E99 VanDerWaalsContact O-N 3.16Å; E96-I100 HydrophobicContact CG-CD1 4.02Å; E96-I100 WeakPolarHBondContact O-CG1 3.46Å; E96-I100 PolarHBondContact O-N 3.47Å; E96-Y170 HydrophobicContact CB-CE2 4.4Å; E96-V174 HydrophobicContact CB-CG2 4.06Å; E96-V174 HydrophobicContact CG-CB 4.47Å; E96-V174 HydrophobicContact CG-CG1 3.64Å; E96-V174 HydrophobicContact CG-CG2 3.89Å
97	C	95.3	Very high	94.7	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.014	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-38.6	176	-73.1	0	0	0	0	111.8	I93 T95 M101 F125 F177	I93-C97 WeakPolarHBondContact O-CB 3.03Å; I93-C97 PolarHBondContact O-N 3.37Å; I93-C97 PolarHBondContact O-SG 3.22Å; T95-C97 PolarHBondContact O-N 3.01Å; C97-M101 WeakPolarHBondContact O-CB 3.45Å; C97-M101 VanDerWaalsContact O-CG 3.24Å; C97-M101 WeakPolarHBondContact O-CG 3.35Å; C97-M101 PolarHBondContact O-N 2.89Å; C97-F125 HydrophobicContact CB-CD1 4.39Å; C97-F125 HydrophobicContact CB-CD2 3.78Å; C97-F125 HydrophobicContact CB-CE1 4.21Å; C97-F125 HydrophobicContact CB-CE2 3.58Å; C97-F125 HydrophobicContact CB-CG 4.18Å; C97-F125 HydrophobicContact CB-CZ 3.8Å; C97-F177 HydrophobicContact CB-CD1 4Å; C97-F177 HydrophobicContact CB-CE1 3.88Å; C97-F177 HydrophobicContact CB-CG 4.48Å; C97-F177 HydrophobicContact CB-CZ 4.27Å
98	V	96.3	Very high	94.5	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-42.2	176.3	172	0	0	0	0	111.3	N94 T95 E96 M101 K102 K122 F125 K126	N94-V98 WeakPolarHBondContact O-CG2 3.46Å; N94-V98 PolarHBondContact O-N 3.39Å; T95-V98 WeakPolarHBondContact O-CB 3.28Å; T95-V98 PolarHBondContact O-N 3.15Å; E96-V98 VanDerWaalsContact C-N 3.28Å; E96-V98 PolarHBondContact O-N 2.84Å; V98-M101 PolarHBondContact O-N 3.35Å; V98-K102 WeakPolarHBondContact O-CG 3.33Å; V98-K102 PolarHBondContact O-N 2.86Å; V98-K102 VanDerWaalsContact O-N 3.09Å; V98-K122 HydrophobicContact CG1-CD 4.48Å; V98-K122 HydrophobicContact CG1-CG 4.42Å; V98-K122 HydrophobicContact CG2-CB 4.48Å; V98-F125 HydrophobicContact CG2-CB 3.61Å; V98-F125 HydrophobicContact CG2-CD2 4.28Å; V98-F125 HydrophobicContact CG2-CG 4.4Å; V98-K126 HydrophobicContact CG2-CG 4.18Å
99	E	97	Very high	94.2	Very high	74 Å²	74	51.2 Å²	51.2	35%	0.346	27%	0.266	S	S	.	.	H	α-helix	trans	-67.9	-42.3	177.7	-65.9	-50.2	129.5	0	0	112	T95 E96 M101 K102 N103	T95-E99 PolarHBondContact O-N 3.34Å; E96-E99 PolarHBondContact O-N 2.93Å; E96-E99 VanDerWaalsContact O-N 3.16Å; E99-M101 VanDerWaalsContact C-N 3.3Å; E99-M101 PolarHBondContact O-N 3.28Å; E99-K102 PolarHBondContact O-N 3.43Å; E99-K102 IonicContact OE1-NZ 3.59Å; E99-K102 PolarHBondContact OE1-NZ 3.05Å; E99-K102 IonicContact OE2-NZ 2.66Å; E99-K102 PolarHBondContact OE2-NZ 2.94Å; E99-N103 PolarHBondContact O-N 3.37Å; E99-N103 PolarHBondContact O-ND2 3.43Å
100	I	95.9	Very high	93.8	Very high	12 Å²	12	59.9 Å²	59.9	6%	0.062	30%	0.303	C	S	.	.	H	α-helix	trans	-57.2	-46.3	172.7	-72.8	166.5	0	0	0	110.5	E96 K102 N103 V104 V174 F177 E178 L181	E96-I100 HydrophobicContact CG-CD1 4.02Å; E96-I100 WeakPolarHBondContact O-CG1 3.46Å; E96-I100 PolarHBondContact O-N 3.47Å; I100-K102 VanDerWaalsContact C-N 3.33Å; I100-K102 PolarHBondContact O-N 3.04Å; I100-N103 PolarHBondContact O-N 2.83Å; I100-V104 HydrophobicContact CG2-CG2 4.17Å; I100-V104 WeakPolarHBondContact O-CB 3.46Å; I100-V104 VanDerWaalsContact O-CG2 3.23Å; I100-V104 WeakPolarHBondContact O-CG2 3.44Å; I100-V104 PolarHBondContact O-N 3.02Å; I100-V174 HydrophobicContact CD1-CG1 3.49Å; I100-V174 VanDerWaalsContact CD1-CG1 3.49Å; I100-F177 HydrophobicContact CB-CD1 4.48Å; I100-F177 HydrophobicContact CB-CE1 4.35Å; I100-F177 HydrophobicContact CG2-CD1 4.11Å; I100-F177 HydrophobicContact CG2-CE1 4.02Å; I100-E178 HydrophobicContact CD1-CB 4.28Å; I100-E178 HydrophobicContact CG2-CB 4.2Å; I100-E178 HydrophobicContact CG2-CG 4.06Å; I100-L181 HydrophobicContact CG2-CD2 4.15Å
101	M	94.9	Very high	93.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.3	-43.1	178.3	-76.2	-175.9	75	0	0	112.4	C97 V98 E99 E105 Y112 M113 I121 K122 F125 F177 L181	C97-M101 WeakPolarHBondContact O-CB 3.45Å; C97-M101 VanDerWaalsContact O-CG 3.24Å; C97-M101 WeakPolarHBondContact O-CG 3.35Å; C97-M101 PolarHBondContact O-N 2.89Å; V98-M101 PolarHBondContact O-N 3.35Å; E99-M101 VanDerWaalsContact C-N 3.3Å; E99-M101 PolarHBondContact O-N 3.28Å; M101-E105 WeakPolarHBondContact O-CB 3.47Å; M101-E105 PolarHBondContact O-N 3.37Å; M101-Y112 VanDerWaalsContact CE-OH 3.27Å; M101-Y112 WeakPolarHBondContact CE-OH 3.33Å; M101-M113 HydrophobicContact CE-CE 4.21Å; M101-M113 HydrophobicContact CE-SD 4.31Å; M101-I121 HydrophobicContact CE-CB 3.91Å; M101-I121 HydrophobicContact CE-CG2 3.89Å; M101-I121 HydrophobicContact SD-CB 4.25Å; M101-I121 HydrophobicContact SD-CG2 3.63Å; M101-K122 HydrophobicContact CB-CD 4.11Å; M101-K122 HydrophobicContact CB-CG 4.11Å; M101-K122 HydrophobicContact CE-CD 4.47Å; M101-K122 HydrophobicContact CE-CG 3.79Å; M101-K122 HydrophobicContact SD-CG 3.63Å; M101-F125 HydrophobicContact SD-CD2 4.18Å; M101-F125 HydrophobicContact SD-CE2 3.97Å; M101-F177 HydrophobicContact CG-CE1 3.78Å; M101-F177 HydrophobicContact CG-CZ 3.56Å; M101-F177 HydrophobicContact SD-CZ 3.87Å; M101-L181 HydrophobicContact CG-CD2 4.28Å
102	K	95.2	Very high	93.1	Very high	76 Å²	76	58.4 Å²	58.4	33%	0.33	29%	0.293	S	S	.	.	H	α-helix	trans	-61.8	-51.6	176.4	-69.9	169.2	-178.7	171.8	0	111.3	V98 E99 I100 V104 E105 D106 K122	V98-K102 WeakPolarHBondContact O-CG 3.33Å; V98-K102 PolarHBondContact O-N 2.86Å; V98-K102 VanDerWaalsContact O-N 3.09Å; E99-K102 PolarHBondContact O-N 3.43Å; E99-K102 IonicContact OE1-NZ 3.59Å; E99-K102 PolarHBondContact OE1-NZ 3.05Å; E99-K102 IonicContact OE2-NZ 2.66Å; E99-K102 PolarHBondContact OE2-NZ 2.94Å; I100-K102 VanDerWaalsContact C-N 3.33Å; I100-K102 PolarHBondContact O-N 3.04Å; K102-V104 VanDerWaalsContact C-N 3.27Å; K102-V104 PolarHBondContact O-N 3.28Å; K102-E105 PolarHBondContact O-N 3Å; K102-D106 PolarHBondContact O-N 3.23Å; K102-K122 HydrophobicContact CG-CD 4.49Å
103	N	94.3	Very high	92.7	Very high	104 Å²	104	55.7 Å²	55.7	56%	0.556	28%	0.28	S	S	*	.	H	α-helix	trans	-58.4	-40.4	-179.3	-71.3	-27.7	0	0	0	112.2	E99 I100 K107	E99-N103 PolarHBondContact O-N 3.37Å; E99-N103 PolarHBondContact O-ND2 3.43Å; I100-N103 PolarHBondContact O-N 2.83Å; N103-K107 WeakPolarHBondContact O-CB 3.34Å; N103-K107 PolarHBondContact O-N 3.1Å; N103-K107 VanDerWaalsContact O-N 3.15Å
104	V	93.2	Very high	92.3	Very high	9 Å²	9	62.6 Å²	62.6	6%	0.055	31%	0.309	C	S	.	.	H	α-helix	trans	-74.4	-38.9	179.2	175	0	0	0	0	111.7	I100 K102 K107 Y108 Y112 L181 L182 I185	I100-V104 HydrophobicContact CG2-CG2 4.17Å; I100-V104 WeakPolarHBondContact O-CB 3.46Å; I100-V104 VanDerWaalsContact O-CG2 3.23Å; I100-V104 WeakPolarHBondContact O-CG2 3.44Å; I100-V104 PolarHBondContact O-N 3.02Å; K102-V104 VanDerWaalsContact C-N 3.27Å; K102-V104 PolarHBondContact O-N 3.28Å; V104-K107 PolarHBondContact O-N 3.08Å; V104-Y108 HydrophobicContact CG1-CD2 3.94Å; V104-Y108 WeakPolarHBondContact O-CB 3.45Å; V104-Y108 WeakPolarHBondContact O-CD2 3.47Å; V104-Y108 PolarHBondContact O-N 3.39Å; V104-Y112 HydrophobicContact CB-CE2 4.21Å; V104-Y112 HydrophobicContact CG1-CD2 3.83Å; V104-Y112 HydrophobicContact CG1-CE2 3.66Å; V104-L181 HydrophobicContact CB-CD2 3.83Å; V104-L181 HydrophobicContact CG1-CD2 3.8Å; V104-L181 HydrophobicContact CG1-CG 3.98Å; V104-L181 HydrophobicContact CG2-CD2 3.96Å; V104-L182 HydrophobicContact CG1-CD2 4.19Å; V104-L182 HydrophobicContact CG2-CD2 3.9Å; V104-I185 HydrophobicContact CG1-CD1 3.08Å
105	E	93.2	Very high	91.8	Very high	42 Å²	42	65.8 Å²	65.8	20%	0.196	33%	0.333	C	S	.	.	H	α-helix	trans	-58.8	-46.6	174.2	-175.6	166.1	-176.9	0	0	110.9	M101 K102 A109 Y112 S118 K122	M101-E105 WeakPolarHBondContact O-CB 3.47Å; M101-E105 PolarHBondContact O-N 3.37Å; K102-E105 PolarHBondContact O-N 3Å; E105-A109 WeakPolarHBondContact O-CA 3.39Å; E105-A109 WeakPolarHBondContact O-CB 3.35Å; E105-A109 PolarHBondContact O-N 3.05Å; E105-Y112 HydrophobicContact CB-CD1 3.78Å; E105-Y112 HydrophobicContact CB-CE1 3.64Å; E105-Y112 HydrophobicContact CB-CE2 4.48Å; E105-Y112 HydrophobicContact CB-CG 4.25Å; E105-Y112 HydrophobicContact CG-CD1 3.67Å; E105-Y112 HydrophobicContact CG-CE1 3.81Å; E105-Y112 HydrophobicContact CG-CG 4.41Å; E105-S118 PolarHBondContact OE2-OG 3.11Å; E105-K122 IonicContact OE2-NZ 3.6Å; E105-K122 PolarHBondContact OE2-NZ 3.04Å
106	D	90.5	Very high	91.3	Very high	133 Å²	133	66.5 Å²	66.5	71%	0.711	34%	0.341	S	S	*	.	H	α-helix	trans	-65	-42.4	179.2	-68.8	-17.8	0	0	0	112.1	K102	K102-D106 PolarHBondContact O-N 3.23Å
107	K	90.7	Very high	91	Very high	132 Å²	132	69.2 Å²	69.2	57%	0.574	35%	0.352	S	S	*	.	H	α-helix	trans	-75.8	-31.6	-176.6	-170	171.6	179	-173.7	0	113.5	N103 V104	N103-K107 WeakPolarHBondContact O-CB 3.34Å; N103-K107 PolarHBondContact O-N 3.1Å; N103-K107 VanDerWaalsContact O-N 3.15Å; V104-K107 PolarHBondContact O-N 3.08Å
108	Y	90.1	Very high	90.7	Very high	14 Å²	14	69.1 Å²	69.1	6%	0.055	35%	0.351	C	S	.	.	H	α-helix	trans	-127.2	26.1	-170.4	-57	-78.2	0	0	0	113.9	L31 V104 K110 H111 Y112 L182 I185	L31-Y108 HydrophobicContact CB-CE1 4.42Å; L31-Y108 HydrophobicContact CD1-CE1 4.33Å; L31-Y108 HydrophobicContact CD1-CE2 4.37Å; L31-Y108 HydrophobicContact CD2-CE1 4.24Å; V104-Y108 HydrophobicContact CG1-CD2 3.94Å; V104-Y108 WeakPolarHBondContact O-CB 3.45Å; V104-Y108 WeakPolarHBondContact O-CD2 3.47Å; V104-Y108 PolarHBondContact O-N 3.39Å; Y108-K110 PolarHBondContact O-N 3.3Å; Y108-H111 CarbonylContact O-C 3.54Å; Y108-H111 PolarHBondContact O-N 3.5Å; Y108-Y112 PolarHBondContact O-N 2.82Å; Y108-L182 HydrophobicContact CE2-CD2 3.99Å; Y108-I185 HydrophobicContact CD1-CG2 3.88Å; Y108-I185 HydrophobicContact CD2-CD1 4.08Å; Y108-I185 HydrophobicContact CG-CD1 4.2Å; Y108-I185 HydrophobicContact CG-CG2 3.85Å
109	A	88	Confident	90.6	Very high	72 Å²	72	71.4 Å²	71.4	60%	0.595	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.8	-42.5	-173.6	0	0	0	0	0	115.5	E105 H111	E105-A109 WeakPolarHBondContact O-CA 3.39Å; E105-A109 WeakPolarHBondContact O-CB 3.35Å; E105-A109 PolarHBondContact O-N 3.05Å; A109-H111 VanDerWaalsContact C-N 3.34Å; A109-H111 PolarHBondContact O-N 2.84Å
110	K	87.5	Confident	90.5	Very high	200 Å²	200	75 Å²	75	87%	0.87	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-33	179.5	-70.7	-174.6	176.1	-176	0	114.3	Y108	Y108-K110 PolarHBondContact O-N 3.3Å
111	H	87.3	Confident	90.3	Very high	64 Å²	64	76.7 Å²	76.7	30%	0.296	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-1.9	-176	-52.4	106.6	0	0	0	111.8	Y108 A109 I185 K188 M189	Y108-H111 CarbonylContact O-C 3.54Å; Y108-H111 PolarHBondContact O-N 3.5Å; A109-H111 VanDerWaalsContact C-N 3.34Å; A109-H111 PolarHBondContact O-N 2.84Å; H111-I185 HydrophobicContact CB-CG2 3.98Å; H111-K188 HydrophobicContact CB-CB 4.42Å; H111-K188 WeakPolarHBondContact O-CD 3.21Å; H111-K188 PolarHBondContact O-NZ 3.36Å; H111-M189 HydrophobicContact CB-CG 3.98Å; H111-M189 WeakPolarHBondContact ND1-CG 3.45Å
112	Y	86.2	Confident	90.3	Very high	15 Å²	15	78.4 Å²	78.4	6%	0.059	40%	0.397	C	S	.	.	S	Bend	trans	-69.3	170.6	179.1	-163.6	-114.7	0	0	0	111.8	M101 V104 E105 Y108 L181 I185 K188	M101-Y112 VanDerWaalsContact CE-OH 3.27Å; M101-Y112 WeakPolarHBondContact CE-OH 3.33Å; V104-Y112 HydrophobicContact CB-CE2 4.21Å; V104-Y112 HydrophobicContact CG1-CD2 3.83Å; V104-Y112 HydrophobicContact CG1-CE2 3.66Å; E105-Y112 HydrophobicContact CB-CD1 3.78Å; E105-Y112 HydrophobicContact CB-CE1 3.64Å; E105-Y112 HydrophobicContact CB-CE2 4.48Å; E105-Y112 HydrophobicContact CB-CG 4.25Å; E105-Y112 HydrophobicContact CG-CD1 3.67Å; E105-Y112 HydrophobicContact CG-CE1 3.81Å; E105-Y112 HydrophobicContact CG-CG 4.41Å; Y108-Y112 PolarHBondContact O-N 2.82Å; Y112-L181 HydrophobicContact CE2-CD1 3.75Å; Y112-L181 HydrophobicContact CE2-CD2 4.07Å; Y112-L181 HydrophobicContact CE2-CG 4.13Å; Y112-I185 HydrophobicContact CD2-CD1 3.93Å; Y112-I185 HydrophobicContact CD2-CG1 4.45Å; Y112-I185 HydrophobicContact CE2-CD1 4.47Å; Y112-K188 PolarHBondContact O-NZ 2.83Å; Y112-K188 VanDerWaalsContact O-NZ 3.1Å
113	M	88.5	Confident	90.3	Very high	32 Å²	32	82.2 Å²	82.2	16%	0.158	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-68.6	157.9	171.9	70.3	179.4	83.1	0	0	111.1	M101 S115 K117 I121 L181	M101-M113 HydrophobicContact CE-CE 4.21Å; M101-M113 HydrophobicContact CE-SD 4.31Å; M113-S115 PolarHBondContact O-N 3.03Å; M113-K117 HydrophobicContact CB-CD 4.48Å; M113-K117 HydrophobicContact SD-CB 4.21Å; M113-K117 HydrophobicContact SD-CD 4.15Å; M113-K117 HydrophobicContact SD-CG 3.9Å; M113-I121 HydrophobicContact CE-CD1 4.2Å; M113-I121 HydrophobicContact SD-CD1 3.76Å; M113-L181 HydrophobicContact CE-CD1 3.53Å
114	K	86.2	Confident	90.3	Very high	170 Å²	170	80.3 Å²	80.3	74%	0.739	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-53.3	138.1	175.6	-66.2	-174.9	178.8	-178	0	110.5	S116 K117 S118	K114-S116 PolarHBondContact O-N 3.2Å; K114-S116 VanDerWaalsContact O-N 3.14Å; K114-K117 WeakPolarHBondContact O-CA 3.48Å; K114-K117 WeakPolarHBondContact O-CB 3.38Å; K114-K117 PolarHBondContact O-N 2.99Å; K114-S118 PolarHBondContact O-N 3.46Å
115	S	84	Confident	90.4	Very high	80 Å²	80	81.5 Å²	81.5	56%	0.559	41%	0.409	S	S	*	.	H	α-helix	trans	-54.5	-35.2	-177	59.1	0	0	0	0	113.4	M113 S118 S119	M113-S115 PolarHBondContact O-N 3.03Å; S115-S118 PolarHBondContact O-N 3.32Å; S115-S119 VanDerWaalsContact O-CB 3.29Å; S115-S119 WeakPolarHBondContact O-CB 3.49Å; S115-S119 PolarHBondContact O-N 3.42Å; S115-S119 PolarHBondContact O-OG 3.35Å
116	S	87.1	Confident	90.5	Very high	86 Å²	86	84.6 Å²	84.6	60%	0.601	42%	0.421	S	S	*	.	H	α-helix	trans	-64.6	-39.9	175.2	58.9	0	0	0	0	113	K114 K120	K114-S116 PolarHBondContact O-N 3.2Å; K114-S116 VanDerWaalsContact O-N 3.14Å; S116-K120 PolarHBondContact O-N 2.62Å; S116-K120 VanDerWaalsContact O-N 3.15Å
117	K	88.7	Confident	90.7	Very high	131 Å²	131	81.7 Å²	81.7	57%	0.57	41%	0.406	S	S	*	.	H	α-helix	trans	-68.8	-47	175.4	-172.2	178.8	178	-178	0	110.7	M113 K114 S119 K120 I121	M113-K117 HydrophobicContact CB-CD 4.48Å; M113-K117 HydrophobicContact SD-CB 4.21Å; M113-K117 HydrophobicContact SD-CD 4.15Å; M113-K117 HydrophobicContact SD-CG 3.9Å; K114-K117 WeakPolarHBondContact O-CA 3.48Å; K114-K117 WeakPolarHBondContact O-CB 3.38Å; K114-K117 PolarHBondContact O-N 2.99Å; K117-S119 VanDerWaalsContact C-N 3.33Å; K117-S119 PolarHBondContact O-N 3.27Å; K117-K120 PolarHBondContact O-N 3.34Å; K117-I121 HydrophobicContact CG-CD1 4.09Å; K117-I121 WeakPolarHBondContact O-CG1 3.43Å; K117-I121 PolarHBondContact O-N 2.94Å; K117-I121 VanDerWaalsContact O-N 3.08Å
118	S	90.8	Very high	90.8	Very high	0 Å²	0	79 Å²	79	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-54.8	-49.2	175.5	174.8	0	0	0	0	111.5	E105 K114 S115 K120 I121 K122	E105-S118 PolarHBondContact OE2-OG 3.11Å; K114-S118 PolarHBondContact O-N 3.46Å; S115-S118 PolarHBondContact O-N 3.32Å; S118-K120 VanDerWaalsContact C-N 3.33Å; S118-K120 PolarHBondContact O-N 3.2Å; S118-I121 PolarHBondContact O-N 3.3Å; S118-K122 WeakPolarHBondContact O-CB 3.47Å; S118-K122 WeakPolarHBondContact O-CG 3.36Å; S118-K122 PolarHBondContact O-N 3.16Å; S118-K122 WeakPolarHBondContact OG-CE 3.3Å; S118-K122 PolarHBondContact OG-NZ 3.08Å
119	S	92.8	Very high	90.9	Very high	53 Å²	53	78.8 Å²	78.8	37%	0.371	40%	0.399	S	S	.	.	H	α-helix	trans	-62.6	-37.4	-179.5	-60.6	0	0	0	0	113	S115 K117 R123	S115-S119 VanDerWaalsContact O-CB 3.29Å; S115-S119 WeakPolarHBondContact O-CB 3.49Å; S115-S119 PolarHBondContact O-N 3.42Å; S115-S119 PolarHBondContact O-OG 3.35Å; K117-S119 VanDerWaalsContact C-N 3.33Å; K117-S119 PolarHBondContact O-N 3.27Å; S119-R123 WeakPolarHBondContact O-CB 3.19Å; S119-R123 PolarHBondContact O-N 2.61Å
120	K	94.5	Very high	91.2	Very high	149 Å²	149	80.6 Å²	80.6	65%	0.648	40%	0.395	S	S	*	.	H	α-helix	trans	-66.3	-46	176.6	-172.2	176.4	179	-179.3	0	111.4	S116 K117 S118 R123 C124	S116-K120 PolarHBondContact O-N 2.62Å; S116-K120 VanDerWaalsContact O-N 3.15Å; K117-K120 PolarHBondContact O-N 3.34Å; S118-K120 VanDerWaalsContact C-N 3.33Å; S118-K120 PolarHBondContact O-N 3.2Å; K120-R123 WeakPolarHBondContact O-CB 3.5Å; K120-R123 PolarHBondContact O-N 3.18Å; K120-C124 PolarHBondContact O-N 3.3Å; K120-C124 PolarHBondContact O-SG 3.21Å; K120-C124 VanDerWaalsContact O-SG 3.41Å
121	I	92.8	Very high	91.5	Very high	49 Å²	49	74.8 Å²	74.8	25%	0.251	37%	0.374	S	S	.	.	H	α-helix	trans	-64.7	-46.7	178.7	-64.4	169.1	0	0	0	110.7	M101 M113 K117 S118 R123 C124 F125	M101-I121 HydrophobicContact CE-CB 3.91Å; M101-I121 HydrophobicContact CE-CG2 3.89Å; M101-I121 HydrophobicContact SD-CB 4.25Å; M101-I121 HydrophobicContact SD-CG2 3.63Å; M113-I121 HydrophobicContact CE-CD1 4.2Å; M113-I121 HydrophobicContact SD-CD1 3.76Å; K117-I121 HydrophobicContact CG-CD1 4.09Å; K117-I121 WeakPolarHBondContact O-CG1 3.43Å; K117-I121 PolarHBondContact O-N 2.94Å; K117-I121 VanDerWaalsContact O-N 3.08Å; S118-I121 PolarHBondContact O-N 3.3Å; I121-R123 PolarHBondContact O-N 2.98Å; I121-C124 WeakPolarHBondContact O-CB 3.4Å; I121-C124 PolarHBondContact O-N 2.94Å; I121-F125 HydrophobicContact CG2-CD2 3.93Å; I121-F125 HydrophobicContact CG2-CE2 3.5Å; I121-F125 VanDerWaalsContact CG2-CE2 3.5Å; I121-F125 HydrophobicContact CG2-CZ 4.22Å; I121-F125 PolarHBondContact O-N 3.29Å; I121-F125 VanDerWaalsContact O-N 3.08Å
122	K	94.3	Very high	91.7	Very high	35 Å²	35	72.5 Å²	72.5	15%	0.152	36%	0.364	C	S	.	.	H	α-helix	trans	-56.8	-37	175.5	-72.7	-176.2	-67.3	-161.4	0	112	V98 M101 K102 E105 S118 K126	V98-K122 HydrophobicContact CG1-CD 4.48Å; V98-K122 HydrophobicContact CG1-CG 4.42Å; V98-K122 HydrophobicContact CG2-CB 4.48Å; M101-K122 HydrophobicContact CB-CD 4.11Å; M101-K122 HydrophobicContact CB-CG 4.11Å; M101-K122 HydrophobicContact CE-CD 4.47Å; M101-K122 HydrophobicContact CE-CG 3.79Å; M101-K122 HydrophobicContact SD-CG 3.63Å; K102-K122 HydrophobicContact CG-CD 4.49Å; E105-K122 IonicContact OE2-NZ 3.6Å; E105-K122 PolarHBondContact OE2-NZ 3.04Å; S118-K122 WeakPolarHBondContact O-CB 3.47Å; S118-K122 WeakPolarHBondContact O-CG 3.36Å; S118-K122 PolarHBondContact O-N 3.16Å; S118-K122 WeakPolarHBondContact OG-CE 3.3Å; S118-K122 PolarHBondContact OG-NZ 3.08Å; K122-K126 VanDerWaalsContact O-CG 3.32Å; K122-K126 WeakPolarHBondContact O-CG 3.38Å; K122-K126 PolarHBondContact O-N 2.92Å; K122-K126 VanDerWaalsContact O-N 3.1Å
123	R	95.3	Very high	92	Very high	157 Å²	157	75.6 Å²	75.6	59%	0.592	38%	0.381	S	S	*	.	H	α-helix	trans	-68	-40.4	175.8	-168.4	-176.2	-54.9	156.8	3.5	112.3	S119 K120 I121 K126 N127	S119-R123 WeakPolarHBondContact O-CB 3.19Å; S119-R123 PolarHBondContact O-N 2.61Å; K120-R123 WeakPolarHBondContact O-CB 3.5Å; K120-R123 PolarHBondContact O-N 3.18Å; I121-R123 PolarHBondContact O-N 2.98Å; R123-K126 PolarHBondContact O-N 3.27Å; R123-N127 WeakPolarHBondContact O-CB 3.27Å; R123-N127 PolarHBondContact O-N 2.71Å; R123-N127 PolarHBondContact O-OD1 3.38Å
124	C	95.6	Very high	92.2	Very high	64 Å²	64	80.1 Å²	80.1	43%	0.432	40%	0.397	S	S	.	.	H	α-helix	trans	-57.7	-51.6	174.5	-69.1	0	0	0	0	110.9	K120 I121 K126 N127 D128	K120-C124 PolarHBondContact O-N 3.3Å; K120-C124 PolarHBondContact O-SG 3.21Å; K120-C124 VanDerWaalsContact O-SG 3.41Å; I121-C124 WeakPolarHBondContact O-CB 3.4Å; I121-C124 PolarHBondContact O-N 2.94Å; C124-K126 PolarHBondContact O-N 3.49Å; C124-N127 PolarHBondContact O-N 3.39Å; C124-D128 PolarHBondContact O-N 3.35Å
125	F	94.7	Very high	92.5	Very high	34 Å²	34	74.5 Å²	74.5	15%	0.149	37%	0.373	C	S	.	.	H	α-helix	trans	-58.6	-43.9	178	-70	-45.6	0	0	0	113	N94 C97 V98 M101 I121 N127 D128 A129 F177	N94-F125 HydrophobicContact CB-CB 4.29Å; N94-F125 WeakPolarHBondContact CB-O 3.38Å; N94-F125 VanDerWaalsContact OD1-CD1 3.22Å; N94-F125 WeakPolarHBondContact OD1-CD1 3.38Å; C97-F125 HydrophobicContact CB-CD1 4.39Å; C97-F125 HydrophobicContact CB-CD2 3.78Å; C97-F125 HydrophobicContact CB-CE1 4.21Å; C97-F125 HydrophobicContact CB-CE2 3.58Å; C97-F125 HydrophobicContact CB-CG 4.18Å; C97-F125 HydrophobicContact CB-CZ 3.8Å; V98-F125 HydrophobicContact CG2-CB 3.61Å; V98-F125 HydrophobicContact CG2-CD2 4.28Å; V98-F125 HydrophobicContact CG2-CG 4.4Å; M101-F125 HydrophobicContact SD-CD2 4.18Å; M101-F125 HydrophobicContact SD-CE2 3.97Å; I121-F125 HydrophobicContact CG2-CD2 3.93Å; I121-F125 HydrophobicContact CG2-CE2 3.5Å; I121-F125 VanDerWaalsContact CG2-CE2 3.5Å; I121-F125 HydrophobicContact CG2-CZ 4.22Å; I121-F125 PolarHBondContact O-N 3.29Å; I121-F125 VanDerWaalsContact O-N 3.08Å; F125-N127 PolarHBondContact O-N 3.18Å; F125-D128 PolarHBondContact O-N 3.05Å; F125-A129 WeakPolarHBondContact O-CB 3.37Å; F125-A129 PolarHBondContact O-N 3.46Å; F125-F177 AromaticContact CE2-CE2 3.83Å; F125-F177 HydrophobicContact CE2-CE2 3.83Å; F125-F177 AromaticContact CE2-CZ 3.8Å; F125-F177 HydrophobicContact CE2-CZ 3.8Å; F125-F177 HydrophobicContact CZ-CD2 4.23Å; F125-F177 AromaticContact CZ-CE2 3.75Å; F125-F177 HydrophobicContact CZ-CE2 3.75Å; F125-F177 HydrophobicContact CZ-CZ 4.17Å
126	K	95	Very high	92.9	Very high	106 Å²	106	71.9 Å²	71.9	46%	0.461	35%	0.353	S	S	.	.	H	α-helix	trans	-60.9	-45.4	176.7	-73.2	178.8	179	-166.7	0	112.6	V98 K122 R123 C124 D128 A129 E130	V98-K126 HydrophobicContact CG2-CG 4.18Å; K122-K126 VanDerWaalsContact O-CG 3.32Å; K122-K126 WeakPolarHBondContact O-CG 3.38Å; K122-K126 PolarHBondContact O-N 2.92Å; K122-K126 VanDerWaalsContact O-N 3.1Å; R123-K126 PolarHBondContact O-N 3.27Å; C124-K126 PolarHBondContact O-N 3.49Å; K126-D128 VanDerWaalsContact C-N 3.32Å; K126-D128 PolarHBondContact O-N 3.22Å; K126-A129 PolarHBondContact O-N 3.3Å; K126-E130 WeakPolarHBondContact O-CG 3.48Å; K126-E130 PolarHBondContact O-N 3.43Å
127	N	95.2	Very high	92.9	Very high	73 Å²	73	73.6 Å²	73.6	39%	0.39	35%	0.354	S	S	.	.	H	α-helix	trans	-63.6	-40.8	178.7	-70	4.2	0	0	0	111.2	R123 C124 F125 E130 N131	R123-N127 WeakPolarHBondContact O-CB 3.27Å; R123-N127 PolarHBondContact O-N 2.71Å; R123-N127 PolarHBondContact O-OD1 3.38Å; C124-N127 PolarHBondContact O-N 3.39Å; F125-N127 PolarHBondContact O-N 3.18Å; N127-E130 PolarHBondContact O-N 2.95Å; N127-N131 WeakPolarHBondContact O-CB 3.33Å; N127-N131 PolarHBondContact O-N 3.47Å; N127-N131 PolarHBondContact O-ND2 3.25Å; N127-N131 PolarHBondContact O-OD1 2.96Å
128	D	93.1	Very high	92.7	Very high	75 Å²	75	74.1 Å²	74.1	40%	0.401	36%	0.358	S	S	.	.	H	α-helix	trans	-67	-42	178.7	-69.6	-16.2	0	0	0	111.5	N94 C124 F125 K126 N131 V132	N94-D128 VanDerWaalsContact ND2-CB 3.33Å; N94-D128 WeakPolarHBondContact ND2-CB 3.08Å; C124-D128 PolarHBondContact O-N 3.35Å; F125-D128 PolarHBondContact O-N 3.05Å; K126-D128 VanDerWaalsContact C-N 3.32Å; K126-D128 PolarHBondContact O-N 3.22Å; D128-N131 PolarHBondContact O-N 3.3Å; D128-V132 WeakPolarHBondContact O-CB 3.37Å; D128-V132 WeakPolarHBondContact O-CG2 3.49Å; D128-V132 PolarHBondContact O-N 2.92Å
129	A	92.4	Very high	92.4	Very high	10 Å²	10	77.1 Å²	77.1	8%	0.083	37%	0.371	C	S	.	.	H	α-helix	trans	-57.7	-49.3	171.5	0	0	0	0	0	111.6	D91 N94 F125 K126 N131 V132 N133	D91-A129 WeakPolarHBondContact OD1-CB 3.49Å; N94-A129 HydrophobicContact CB-CB 3.85Å; N94-A129 PolarHBondContact ND2-N 2.95Å; F125-A129 WeakPolarHBondContact O-CB 3.37Å; F125-A129 PolarHBondContact O-N 3.46Å; K126-A129 PolarHBondContact O-N 3.3Å; A129-N131 VanDerWaalsContact C-N 3.32Å; A129-N131 PolarHBondContact O-N 3.25Å; A129-V132 PolarHBondContact O-N 3.5Å; A129-N133 WeakPolarHBondContact O-CB 3.2Å; A129-N133 PolarHBondContact O-N 3.31Å
130	E	93.5	Very high	91.8	Very high	110 Å²	110	74.9 Å²	74.9	51%	0.514	36%	0.357	S	S	.	.	H	α-helix	trans	-60.7	-38.9	177.7	-73.6	173	-167.6	0	0	112.9	K126 N127 R134	K126-E130 WeakPolarHBondContact O-CG 3.48Å; K126-E130 PolarHBondContact O-N 3.43Å; N127-E130 PolarHBondContact O-N 2.95Å; E130-R134 WeakPolarHBondContact O-CG 3.44Å; E130-R134 PolarHBondContact O-N 2.81Å; E130-R134 PolarHBondContact O-NH1 3.36Å; E130-R134 VanDerWaalsContact O-NH1 3.16Å
131	N	93.4	Very high	90.9	Very high	78 Å²	78	70.8 Å²	70.8	42%	0.417	34%	0.344	S	S	.	.	H	α-helix	trans	-63.7	-45.6	176.2	-67.5	-22.2	0	0	0	111.3	N127 D128 A129 R134 E135	N127-N131 WeakPolarHBondContact O-CB 3.33Å; N127-N131 PolarHBondContact O-N 3.47Å; N127-N131 PolarHBondContact O-ND2 3.25Å; N127-N131 PolarHBondContact O-OD1 2.96Å; D128-N131 PolarHBondContact O-N 3.3Å; A129-N131 VanDerWaalsContact C-N 3.32Å; A129-N131 PolarHBondContact O-N 3.25Å; N131-R134 PolarHBondContact O-N 2.89Å; N131-R134 PolarHBondContact OD1-NH2 2.85Å; N131-E135 PolarHBondContact O-N 3.39Å
132	V	92.3	Very high	90.3	Very high	16 Å²	16	74.9 Å²	74.9	10%	0.097	36%	0.362	C	S	.	.	H	α-helix	trans	-70.6	-39.5	-178.1	168.4	0	0	0	0	111.9	L87 I90 D91 D128 A129 R134 E135 L136	L87-V132 HydrophobicContact CB-CG1 3.92Å; L87-V132 HydrophobicContact CD2-CG1 4.02Å; L87-V132 HydrophobicContact CD2-CG2 4.41Å; L87-V132 WeakPolarHBondContact O-CG1 3.44Å; I90-V132 HydrophobicContact CB-CG1 4.39Å; I90-V132 HydrophobicContact CB-CG2 4.33Å; I90-V132 HydrophobicContact CG2-CG2 3.72Å; D91-V132 HydrophobicContact CB-CG1 4.02Å; D128-V132 WeakPolarHBondContact O-CB 3.37Å; D128-V132 WeakPolarHBondContact O-CG2 3.49Å; D128-V132 PolarHBondContact O-N 2.92Å; A129-V132 PolarHBondContact O-N 3.5Å; V132-R134 VanDerWaalsContact C-N 3.27Å; V132-R134 PolarHBondContact O-N 2.91Å; V132-E135 CarbonylContact O-C 3.55Å; V132-E135 WeakPolarHBondContact O-CA 3.29Å; V132-E135 WeakPolarHBondContact O-CB 3.28Å; V132-E135 PolarHBondContact O-N 2.85Å; V132-L136 HydrophobicContact CG1-CD1 4.2Å; V132-L136 HydrophobicContact CG1-CG 4.45Å; V132-L136 PolarHBondContact O-N 3.26Å
133	N	92.4	Very high	89.8	Confident	79 Å²	79	77.7 Å²	77.7	42%	0.422	38%	0.379	S	S	.	.	H	α-helix	trans	-60.7	-38.3	175.6	-172.4	33.5	0	0	0	111.7	A129 E135 L136 I137	A129-N133 WeakPolarHBondContact O-CB 3.2Å; A129-N133 PolarHBondContact O-N 3.31Å; N133-E135 VanDerWaalsContact C-N 3.34Å; N133-E135 PolarHBondContact O-N 2.97Å; N133-L136 PolarHBondContact O-N 2.95Å; N133-I137 WeakPolarHBondContact O-CG1 3.32Å; N133-I137 PolarHBondContact O-N 2.95Å; N133-I137 VanDerWaalsContact O-N 3.08Å
134	R	92.5	Very high	89.6	Confident	128 Å²	128	70.9 Å²	70.9	48%	0.483	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-42.4	171.5	-70.8	-169.9	-59.3	-89	8.3	112	E130 N131 V132 L136 I137 E138	E130-R134 WeakPolarHBondContact O-CG 3.44Å; E130-R134 PolarHBondContact O-N 2.81Å; E130-R134 PolarHBondContact O-NH1 3.36Å; E130-R134 VanDerWaalsContact O-NH1 3.16Å; N131-R134 PolarHBondContact O-N 2.89Å; N131-R134 PolarHBondContact OD1-NH2 2.85Å; V132-R134 VanDerWaalsContact C-N 3.27Å; V132-R134 PolarHBondContact O-N 2.91Å; R134-L136 VanDerWaalsContact C-N 3.34Å; R134-L136 PolarHBondContact O-N 2.94Å; R134-I137 PolarHBondContact O-N 3.2Å; R134-E138 PolarHBondContact O-N 3Å
135	E	92.3	Very high	89.4	Confident	52 Å²	52	76.7 Å²	76.7	24%	0.243	37%	0.368	C	S	.	.	H	α-helix	trans	-65.3	-36.3	176.3	-170.1	170	-177.6	0	0	112.5	R83 L87 N131 V132 N133 E138 K139	R83-E135 IonicContact CZ-OE1 2.88Å; R83-E135 IonicContact NE-OE1 2.67Å; R83-E135 IonicContact NH2-OE1 2.79Å; R83-E135 PolarHBondContact NH2-OE1 3.42Å; L87-E135 HydrophobicContact CD1-CB 4.29Å; L87-E135 HydrophobicContact CD1-CG 3.68Å; L87-E135 HydrophobicContact CD2-CB 4.36Å; L87-E135 HydrophobicContact CD2-CG 4.19Å; L87-E135 WeakPolarHBondContact CD2-OE2 3.18Å; N131-E135 PolarHBondContact O-N 3.39Å; V132-E135 CarbonylContact O-C 3.55Å; V132-E135 WeakPolarHBondContact O-CA 3.29Å; V132-E135 WeakPolarHBondContact O-CB 3.28Å; V132-E135 PolarHBondContact O-N 2.85Å; N133-E135 VanDerWaalsContact C-N 3.34Å; N133-E135 PolarHBondContact O-N 2.97Å; E135-E138 PolarHBondContact O-N 3.33Å; E135-K139 HydrophobicContact CG-CD 3.95Å; E135-K139 HydrophobicContact CG-CG 4.28Å; E135-K139 VanDerWaalsContact CG-NZ 3.32Å; E135-K139 VanDerWaalsContact O-CB 3.32Å; E135-K139 WeakPolarHBondContact O-CB 3.5Å; E135-K139 WeakPolarHBondContact O-CG 3.36Å; E135-K139 PolarHBondContact O-N 2.91Å; E135-K139 IonicContact OE1-NZ 3.68Å; E135-K139 PolarHBondContact OE1-NZ 3.16Å
136	L	91.3	Very high	89.1	Confident	24 Å²	24	78.1 Å²	78.1	13%	0.126	37%	0.374	C	S	.	.	H	α-helix	trans	-64.3	-40.2	176.1	-79.1	169.6	0	0	0	112.4	V84 L87 Q88 D91 V132 N133 R134 E138 K139 G140	V84-L136 HydrophobicContact CG1-CD2 4.06Å; L87-L136 HydrophobicContact CB-CD1 4.38Å; L87-L136 HydrophobicContact CB-CD2 3.48Å; L87-L136 VanDerWaalsContact CB-CD2 3.48Å; L87-L136 HydrophobicContact CB-CG 3.77Å; L87-L136 HydrophobicContact CD1-CD2 4.28Å; Q88-L136 HydrophobicContact CG-CD1 4.16Å; Q88-L136 HydrophobicContact CG-CD2 3.77Å; D91-L136 HydrophobicContact CB-CD1 4.45Å; V132-L136 HydrophobicContact CG1-CD1 4.2Å; V132-L136 HydrophobicContact CG1-CG 4.45Å; V132-L136 PolarHBondContact O-N 3.26Å; N133-L136 PolarHBondContact O-N 2.95Å; R134-L136 VanDerWaalsContact C-N 3.34Å; R134-L136 PolarHBondContact O-N 2.94Å; L136-E138 VanDerWaalsContact C-N 3.25Å; L136-E138 PolarHBondContact O-N 3.09Å; L136-K139 CarbonylContact O-C 3.52Å; L136-K139 PolarHBondContact O-N 3.12Å; L136-G140 VanDerWaalsContact O-CA 3.28Å; L136-G140 WeakPolarHBondContact O-CA 3.48Å; L136-G140 PolarHBondContact O-N 3.12Å
137	I	87.7	Confident	88.7	Confident	123 Å²	123	73.7 Å²	73.7	63%	0.631	36%	0.356	S	S	*	.	H	α-helix	trans	-62.6	-36.7	176.1	-67.6	164	0	0	0	110.8	N133 R134	N133-I137 WeakPolarHBondContact O-CG1 3.32Å; N133-I137 PolarHBondContact O-N 2.95Å; N133-I137 VanDerWaalsContact O-N 3.08Å; R134-I137 PolarHBondContact O-N 3.2Å
138	E	85.5	Confident	87.9	Confident	141 Å²	141	76.8 Å²	76.8	66%	0.659	37%	0.373	S	S	*	.	H	α-helix	trans	-79.2	-27.2	178.9	-68.7	175.9	-179.9	0	0	113.5	R134 E135 L136	R134-E138 PolarHBondContact O-N 3Å; E135-E138 PolarHBondContact O-N 3.33Å; L136-E138 VanDerWaalsContact C-N 3.25Å; L136-E138 PolarHBondContact O-N 3.09Å
139	K	83.9	Confident	86.6	Confident	63 Å²	63	77 Å²	77	27%	0.274	39%	0.386	S	S	.	.	H	α-helix	trans	-129.4	24.7	-167.3	-55.9	-166.2	180	97.6	0	113.9	R83 V84 E135 L136	R83-K139 VanDerWaalsContact CZ-CE 3.48Å; R83-K139 VanDerWaalsContact NH2-CD 3.3Å; R83-K139 VanDerWaalsContact NH2-NZ 3.15Å; V84-K139 WeakPolarHBondContact CG2-O 3.46Å; E135-K139 HydrophobicContact CG-CD 3.95Å; E135-K139 HydrophobicContact CG-CG 4.28Å; E135-K139 VanDerWaalsContact CG-NZ 3.32Å; E135-K139 VanDerWaalsContact O-CB 3.32Å; E135-K139 WeakPolarHBondContact O-CB 3.5Å; E135-K139 WeakPolarHBondContact O-CG 3.36Å; E135-K139 PolarHBondContact O-N 2.91Å; E135-K139 IonicContact OE1-NZ 3.68Å; E135-K139 PolarHBondContact OE1-NZ 3.16Å; L136-K139 CarbonylContact O-C 3.52Å; L136-K139 PolarHBondContact O-N 3.12Å
140	G	80	Confident	85.4	Confident	7 Å²	7	77.6 Å²	77.6	7%	0.072	39%	0.388	C	S	.	.			trans	-58.5	168.2	-175.5	0	0	0	0	0	113.7	L136 E142 N143	L136-G140 VanDerWaalsContact O-CA 3.28Å; L136-G140 WeakPolarHBondContact O-CA 3.48Å; L136-G140 PolarHBondContact O-N 3.12Å; G140-E142 VanDerWaalsContact CA-OE1 3.29Å; G140-E142 WeakPolarHBondContact CA-OE1 3.06Å; G140-E142 WeakPolarHBondContact CA-OE2 3.48Å; G140-E142 PolarHBondContact O-N 3.31Å; G140-E142 VanDerWaalsContact O-N 3.09Å; G140-N143 PolarHBondContact N-ND2 3.48Å; G140-N143 WeakPolarHBondContact O-CB 3.31Å; G140-N143 PolarHBondContact O-N 2.92Å; G140-N143 PolarHBondContact O-ND2 3.24Å
141	T	76.4	Confident	84.9	Confident	62 Å²	62	76.9 Å²	76.9	38%	0.38	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-57.1	-26.7	-176.3	46	0	0	0	0	113.6	I81 V84 N143 C144	I81-T141 HydrophobicContact CD1-CG2 4.12Å; V84-T141 HydrophobicContact CB-CG2 4.01Å; V84-T141 HydrophobicContact CG1-CG2 3.52Å; V84-T141 HydrophobicContact CG2-CG2 4.34Å; T141-N143 PolarHBondContact O-N 3.4Å; T141-N143 VanDerWaalsContact O-N 3.16Å; T141-C144 WeakPolarHBondContact O-CB 3.35Å; T141-C144 PolarHBondContact O-N 2.87Å
142	E	79.3	Confident	84.6	Confident	135 Å²	135	78.9 Å²	78.9	63%	0.631	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-59.8	-20.7	175.4	67.1	-74	169.4	0	0	113.2	G140	G140-E142 VanDerWaalsContact CA-OE1 3.29Å; G140-E142 WeakPolarHBondContact CA-OE1 3.06Å; G140-E142 WeakPolarHBondContact CA-OE2 3.48Å; G140-E142 PolarHBondContact O-N 3.31Å; G140-E142 VanDerWaalsContact O-N 3.09Å
143	N	83.8	Confident	84.5	Confident	94 Å²	94	83.4 Å²	83.4	50%	0.503	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-87.6	-5.6	176.1	-57.3	-63	0	0	0	112.9	G140 T141 R145	G140-N143 PolarHBondContact N-ND2 3.48Å; G140-N143 WeakPolarHBondContact O-CB 3.31Å; G140-N143 PolarHBondContact O-N 2.92Å; G140-N143 PolarHBondContact O-ND2 3.24Å; T141-N143 PolarHBondContact O-N 3.4Å; T141-N143 VanDerWaalsContact O-N 3.16Å; N143-R145 PolarHBondContact O-N 2.67Å
144	C	91.9	Very high	84.4	Confident	14 Å²	14	81.4 Å²	81.4	10%	0.095	40%	0.403	C	S	.	.	S	Bend	trans	-85.6	104.8	177.3	-59.3	0	0	0	0	110.7	Y77 C80 I81 T141 K146	Y77-C144 HydrophobicContact CD2-CB 4.21Å; Y77-C144 HydrophobicContact CE2-CB 4.28Å; C80-C144 HydrophobicContact CB-CB 3.7Å; C80-C144 WeakPolarHBondContact CB-SG 3.23Å; C80-C144 WeakPolarHBondContact SG-CA 3.41Å; C80-C144 WeakPolarHBondContact SG-CB 3.44Å; C80-C144 CovalentContact SG-SG 2.04Å; C80-C144 PolarHBondContact SG-SG 3.28Å; I81-C144 HydrophobicContact CD1-CB 3.83Å; I81-C144 HydrophobicContact CG1-CB 4.26Å; T141-C144 WeakPolarHBondContact O-CB 3.35Å; T141-C144 PolarHBondContact O-N 2.87Å; C144-K146 PolarHBondContact O-N 2.85Å
145	R	90.3	Very high	84.4	Confident	187 Å²	187	75.3 Å²	75.3	71%	0.706	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-68.2	116.5	-179.9	-176.1	177.4	-180	163	-0.1	111.2	Y77 N143	Y77-R145 WeakPolarHBondContact CD2-O 3.22Å; N143-R145 PolarHBondContact O-N 2.67Å
146	K	88.1	Confident	84.3	Confident	63 Å²	63	75.4 Å²	75.4	27%	0.274	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-71.3	141.3	175.4	-161.3	171.6	-173.2	168.4	0	110.8	Y77 C144 E152 I155 N156	Y77-K146 HydrophobicContact CD2-CB 4.43Å; Y77-K146 HydrophobicContact CE2-CB 4.33Å; Y77-K146 HydrophobicContact CE2-CG 4.39Å; C144-K146 PolarHBondContact O-N 2.85Å; K146-E152 IonicContact NZ-OE1 2.76Å; K146-E152 PolarHBondContact NZ-OE1 2.97Å; K146-I155 HydrophobicContact CD-CG2 4.4Å; K146-I155 HydrophobicContact CG-CG2 4.25Å; K146-N156 PolarHBondContact NZ-OD1 2.98Å
147	P	86.9	Confident	84.5	Confident	13 Å²	13	78.6 Å²	78.6	8%	0.084	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-61.8	146.4	172.2	-22.1	33.8	0	0	0	111.8	I74 T150 I155	I74-P147 HydrophobicContact CB-CG 4.45Å; I74-P147 HydrophobicContact CG1-CB 4.26Å; I74-P147 HydrophobicContact CG1-CG 3.89Å; P147-T150 WeakPolarHBondContact CB-OG1 3.42Å; P147-I155 HydrophobicContact CG-CD1 4.05Å
148	N	78.8	Confident	84.8	Confident	138 Å²	138	72.9 Å²	72.9	74%	0.738	37%	0.366	S	S	*	.	S	Bend	trans	-87.6	-39.8	-172.2	-79.2	-10.8	0	0	0	113.9
149	A	65.2	Low	85.2	Confident	81 Å²	81	67.4 Å²	67.4	67%	0.669	34%	0.342	S	S	*	.	S	Bend	trans	-101.8	3.2	-175.4	0	0	0	0	0	113.8	E70	E70-A149 VanDerWaalsContact CD-CB 3.41Å; E70-A149 HydrophobicContact CG-CB 4.5Å; E70-A149 WeakPolarHBondContact OE1-CA 3.37Å; E70-A149 WeakPolarHBondContact OE1-CB 3.48Å; E70-A149 PolarHBondContact OE1-N 3.23Å; E70-A149 WeakPolarHBondContact OE2-CA 3.49Å; E70-A149 PolarHBondContact OE2-N 3.04Å
150	T	68.3	Low	85.8	Confident	22 Å²	22	72.9 Å²	72.9	14%	0.135	36%	0.361	C	S	.	.	S	Bend	trans	-81.2	144.1	178.6	-52.1	0	0	0	0	110.6	M63 E70 I74 P147 E152 I155	M63-T150 HydrophobicContact CE-CG2 3.98Å; E70-T150 PolarHBondContact OE2-N 3.48Å; E70-T150 PolarHBondContact OE2-OG1 2.91Å; I74-T150 HydrophobicContact CD1-CG2 4.15Å; I74-T150 HydrophobicContact CG1-CG2 4.44Å; P147-T150 WeakPolarHBondContact CB-OG1 3.42Å; T150-E152 PolarHBondContact O-N 3.41Å; T150-I155 HydrophobicContact CG2-CD1 3.91Å; T150-I155 HydrophobicContact CG2-CG1 3.68Å
151	N	81.7	Confident	86.6	Confident	95 Å²	95	74.1 Å²	74.1	51%	0.508	37%	0.366	S	S	.	.			trans	-55.4	112.2	173.6	-177.9	-14.8	0	0	0	110	E153 E154 I155	N151-E153 PolarHBondContact O-N 3.25Å; N151-E153 VanDerWaalsContact OD1-CB 3.23Å; N151-E153 WeakPolarHBondContact OD1-CB 3.45Å; N151-E153 PolarHBondContact OD1-N 3.29Å; N151-E154 HydrophobicContact CB-CB 4.06Å; N151-E154 WeakPolarHBondContact O-CB 3.46Å; N151-E154 PolarHBondContact O-N 2.94Å; N151-I155 PolarHBondContact O-N 3.38Å; N151-I155 VanDerWaalsContact O-N 3.12Å
152	E	87.4	Confident	87.5	Confident	119 Å²	119	71.4 Å²	71.4	56%	0.556	35%	0.348	S	S	*	.	H	α-helix	trans	-58.2	-37.2	-176.6	-159.5	-166.8	162.5	0	0	112.5	K146 T150 E154 I155 N156	K146-E152 IonicContact NZ-OE1 2.76Å; K146-E152 PolarHBondContact NZ-OE1 2.97Å; T150-E152 PolarHBondContact O-N 3.41Å; E152-E154 VanDerWaalsContact C-N 3.26Å; E152-E154 PolarHBondContact O-N 3.42Å; E152-I155 PolarHBondContact O-N 3.39Å; E152-N156 WeakPolarHBondContact O-CB 3.42Å; E152-N156 PolarHBondContact O-N 2.89Å; E152-N156 PolarHBondContact O-ND2 3.32Å
153	E	90	Very high	88.3	Confident	111 Å²	111	67.7 Å²	67.7	52%	0.519	34%	0.337	S	S	.	.	H	α-helix	trans	-60.8	-40.5	177.3	-168.1	-171.6	157.4	0	0	110.8	N151 N156 K157	N151-E153 PolarHBondContact O-N 3.25Å; N151-E153 VanDerWaalsContact OD1-CB 3.23Å; N151-E153 WeakPolarHBondContact OD1-CB 3.45Å; N151-E153 PolarHBondContact OD1-N 3.29Å; E153-N156 PolarHBondContact O-N 3.43Å; E153-K157 HydrophobicContact CG-CD 4.46Å; E153-K157 WeakPolarHBondContact O-CB 3.14Å; E153-K157 VanDerWaalsContact O-CG 3.31Å; E153-K157 WeakPolarHBondContact O-CG 3.16Å; E153-K157 PolarHBondContact O-N 3.37Å; E153-K157 WeakPolarHBondContact OE1-CE 3.24Å; E153-K157 IonicContact OE1-NZ 3.9Å; E153-K157 PolarHBondContact OE1-NZ 2.99Å
154	E	90.6	Very high	89	Confident	37 Å²	37	65.4 Å²	65.4	17%	0.173	33%	0.329	C	S	.	.	H	α-helix	trans	-70.4	-44.2	-178.6	-155.5	56	-129.6	0	0	111.5	K59 M63 N151 E152 N156 K157 Q158	K59-E154 VanDerWaalsContact CE-CD 3.43Å; K59-E154 WeakPolarHBondContact CE-OE1 3.48Å; K59-E154 IonicContact NZ-OE1 2.68Å; M63-E154 HydrophobicContact CE-CB 4.41Å; M63-E154 HydrophobicContact CE-CG 4.24Å; M63-E154 HydrophobicContact CG-CG 4Å; M63-E154 HydrophobicContact SD-CG 4.01Å; N151-E154 HydrophobicContact CB-CB 4.06Å; N151-E154 WeakPolarHBondContact O-CB 3.46Å; N151-E154 PolarHBondContact O-N 2.94Å; E152-E154 VanDerWaalsContact C-N 3.26Å; E152-E154 PolarHBondContact O-N 3.42Å; E154-N156 VanDerWaalsContact C-N 3.29Å; E154-N156 PolarHBondContact O-N 3.41Å; E154-K157 PolarHBondContact O-N 3.3Å; E154-Q158 VanDerWaalsContact O-CB 3.29Å; E154-Q158 WeakPolarHBondContact O-CB 3.45Å; E154-Q158 PolarHBondContact O-N 3.44Å
155	I	92.2	Very high	89.3	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-57.3	-46	172.5	-67.3	-78.4	0	0	0	110.4	M63 Y77 F78 K146 P147 T150 N151 E152 Q158 T159	M63-I155 HydrophobicContact CE-CD1 3.45Å; M63-I155 VanDerWaalsContact CE-CD1 3.45Å; M63-I155 HydrophobicContact CE-CG1 3.92Å; Y77-I155 HydrophobicContact CD1-CD1 4.36Å; Y77-I155 HydrophobicContact CD1-CG2 4.16Å; Y77-I155 HydrophobicContact CE1-CG2 3.47Å; Y77-I155 VanDerWaalsContact CE1-CG2 3.47Å; F78-I155 HydrophobicContact CE2-CD1 3.93Å; F78-I155 HydrophobicContact CZ-CD1 4.09Å; K146-I155 HydrophobicContact CD-CG2 4.4Å; K146-I155 HydrophobicContact CG-CG2 4.25Å; P147-I155 HydrophobicContact CG-CD1 4.05Å; T150-I155 HydrophobicContact CG2-CD1 3.91Å; T150-I155 HydrophobicContact CG2-CG1 3.68Å; N151-I155 PolarHBondContact O-N 3.38Å; N151-I155 VanDerWaalsContact O-N 3.12Å; E152-I155 PolarHBondContact O-N 3.39Å; I155-Q158 PolarHBondContact O-N 3.46Å; I155-T159 WeakPolarHBondContact O-CB 3.05Å; I155-T159 PolarHBondContact O-N 2.9Å; I155-T159 PolarHBondContact O-OG1 2.91Å; I155-T159 VanDerWaalsContact O-OG1 3.05Å
156	N	92.1	Very high	89.6	Confident	54 Å²	54	57.7 Å²	57.7	29%	0.289	30%	0.3	S	S	.	.	H	α-helix	trans	-66.2	-40.9	-178.8	-70.1	-17.3	0	0	0	112.1	K146 E152 E153 E154 Q158 T159 R160	K146-N156 PolarHBondContact NZ-OD1 2.98Å; E152-N156 WeakPolarHBondContact O-CB 3.42Å; E152-N156 PolarHBondContact O-N 2.89Å; E152-N156 PolarHBondContact O-ND2 3.32Å; E153-N156 PolarHBondContact O-N 3.43Å; E154-N156 VanDerWaalsContact C-N 3.29Å; E154-N156 PolarHBondContact O-N 3.41Å; N156-Q158 VanDerWaalsContact C-N 3.33Å; N156-T159 PolarHBondContact O-N 2.94Å; N156-R160 WeakPolarHBondContact O-CG 3.46Å; N156-R160 PolarHBondContact O-N 2.99Å
157	K	93.6	Very high	90.1	Very high	90 Å²	90	60.2 Å²	60.2	39%	0.391	31%	0.308	S	S	.	.	H	α-helix	trans	-59.4	-46.9	173.9	-78.1	171.8	-176.7	163.8	0	110.9	E153 E154 R160 L161	E153-K157 HydrophobicContact CG-CD 4.46Å; E153-K157 WeakPolarHBondContact O-CB 3.14Å; E153-K157 VanDerWaalsContact O-CG 3.31Å; E153-K157 WeakPolarHBondContact O-CG 3.16Å; E153-K157 PolarHBondContact O-N 3.37Å; E153-K157 WeakPolarHBondContact OE1-CE 3.24Å; E153-K157 IonicContact OE1-NZ 3.9Å; E153-K157 PolarHBondContact OE1-NZ 2.99Å; E154-K157 PolarHBondContact O-N 3.3Å; K157-R160 WeakPolarHBondContact O-CB 3.3Å; K157-R160 PolarHBondContact O-N 2.86Å; K157-L161 PolarHBondContact O-N 3.49Å
158	Q	94.4	Very high	90.6	Very high	4 Å²	4	60 Å²	60	2%	0.019	31%	0.307	C	S	.	.	H	α-helix	trans	-69.3	-37.2	-177.8	-169.9	68.2	-3	0	0	112.4	F56 K59 M63 F78 E154 I155 N156 R160 L161 L162	F56-Q158 HydrophobicContact CD2-CG 4.01Å; F56-Q158 HydrophobicContact CE2-CG 3.73Å; F56-Q158 PolarHBondContact O-NE2 3.33Å; K59-Q158 VanDerWaalsContact CB-OE1 3.3Å; K59-Q158 VanDerWaalsContact CG-OE1 3.29Å; M63-Q158 HydrophobicContact SD-CB 4.17Å; M63-Q158 HydrophobicContact SD-CG 4.1Å; F78-Q158 HydrophobicContact CD1-CG 4.38Å; F78-Q158 HydrophobicContact CE1-CB 3.88Å; F78-Q158 HydrophobicContact CE1-CG 3.53Å; F78-Q158 HydrophobicContact CE2-CB 4.42Å; F78-Q158 HydrophobicContact CE2-CG 3.91Å; F78-Q158 HydrophobicContact CZ-CB 3.5Å; F78-Q158 HydrophobicContact CZ-CG 3.28Å; E154-Q158 VanDerWaalsContact O-CB 3.29Å; E154-Q158 WeakPolarHBondContact O-CB 3.45Å; E154-Q158 PolarHBondContact O-N 3.44Å; I155-Q158 PolarHBondContact O-N 3.46Å; N156-Q158 VanDerWaalsContact C-N 3.33Å; Q158-R160 VanDerWaalsContact C-N 3.33Å; Q158-R160 PolarHBondContact O-N 3.05Å; Q158-L161 PolarHBondContact O-N 2.88Å; Q158-L162 WeakPolarHBondContact O-CB 3.06Å; Q158-L162 PolarHBondContact O-N 3.15Å
159	T	94.8	Very high	91.5	Very high	25 Å²	25	55.1 Å²	55.1	15%	0.153	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-38.6	170.7	-63.1	0	0	0	0	111.8	Y77 I81 F85 I155 N156 L162 S163	Y77-T159 PolarHBondContact OH-OG1 3.03Å; Y77-T159 VanDerWaalsContact OH-OG1 3.06Å; I81-T159 HydrophobicContact CG2-CG2 4.33Å; F85-T159 HydrophobicContact CZ-CG2 4.21Å; I155-T159 WeakPolarHBondContact O-CB 3.05Å; I155-T159 PolarHBondContact O-N 2.9Å; I155-T159 PolarHBondContact O-OG1 2.91Å; I155-T159 VanDerWaalsContact O-OG1 3.05Å; N156-T159 PolarHBondContact O-N 2.94Å; T159-L162 PolarHBondContact O-N 3.35Å; T159-S163 WeakPolarHBondContact O-CB 3.48Å; T159-S163 PolarHBondContact O-N 2.91Å
160	R	95.5	Very high	93	Very high	179 Å²	179	52.2 Å²	52.2	68%	0.675	25%	0.253	S	S	*	.	H	α-helix	trans	-67	-40.9	175.2	-71.4	173.2	-170	158.4	3.8	112.4	N156 K157 Q158 L162 S163 S164	N156-R160 WeakPolarHBondContact O-CG 3.46Å; N156-R160 PolarHBondContact O-N 2.99Å; K157-R160 WeakPolarHBondContact O-CB 3.3Å; K157-R160 PolarHBondContact O-N 2.86Å; Q158-R160 VanDerWaalsContact C-N 3.33Å; Q158-R160 PolarHBondContact O-N 3.05Å; R160-L162 VanDerWaalsContact C-N 3.32Å; R160-L162 PolarHBondContact O-N 3.06Å; R160-S163 WeakPolarHBondContact O-CB 3.35Å; R160-S163 PolarHBondContact O-N 2.84Å; R160-S164 PolarHBondContact O-N 3.39Å
161	L	96.6	Very high	94.4	Very high	33 Å²	33	53.4 Å²	53.4	17%	0.173	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-44.9	175.1	180	61.1	0	0	0	110.9	E52 Q55 F56 K157 Q158 S163 S164 L165	E52-L161 HydrophobicContact CB-CD1 4.18Å; E52-L161 HydrophobicContact CG-CD1 4.11Å; Q55-L161 HydrophobicContact CB-CD2 3.86Å; F56-L161 HydrophobicContact CB-CD2 4.01Å; F56-L161 HydrophobicContact CB-CG 4.4Å; K157-L161 PolarHBondContact O-N 3.49Å; Q158-L161 PolarHBondContact O-N 2.88Å; L161-S163 VanDerWaalsContact C-N 3.33Å; L161-S163 PolarHBondContact O-N 3.32Å; L161-S164 WeakPolarHBondContact O-CB 3.18Å; L161-S164 PolarHBondContact O-N 2.04Å; L161-L165 PolarHBondContact O-N 2.79Å
162	L	96.5	Very high	95.2	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-40.8	175.4	-167.4	58.9	0	0	0	111.7	F56 F78 I81 F85 Q158 T159 R160 L165 F166	F56-L162 HydrophobicContact CD1-CD1 4.49Å; F56-L162 HydrophobicContact CD2-CB 3.96Å; F56-L162 HydrophobicContact CD2-CD1 3.97Å; F56-L162 HydrophobicContact CD2-CG 4.43Å; F56-L162 HydrophobicContact CE1-CD1 4.33Å; F56-L162 HydrophobicContact CE2-CB 3.75Å; F56-L162 HydrophobicContact CE2-CD1 3.8Å; F56-L162 HydrophobicContact CE2-CD2 3.87Å; F56-L162 HydrophobicContact CE2-CG 4.01Å; F56-L162 HydrophobicContact CG-CD1 4.33Å; F56-L162 HydrophobicContact CZ-CD1 3.99Å; F56-L162 HydrophobicContact CZ-CD2 4.01Å; F56-L162 HydrophobicContact CZ-CG 4.43Å; F78-L162 HydrophobicContact CD1-CD2 4.21Å; I81-L162 HydrophobicContact CB-CD2 4.34Å; I81-L162 HydrophobicContact CG2-CD2 3.77Å; F85-L162 HydrophobicContact CD2-CB 4.44Å; F85-L162 HydrophobicContact CD2-CD2 4.3Å; F85-L162 HydrophobicContact CD2-CG 3.96Å; F85-L162 HydrophobicContact CE2-CB 4.21Å; F85-L162 HydrophobicContact CE2-CD2 4.45Å; F85-L162 HydrophobicContact CE2-CG 4.19Å; Q158-L162 WeakPolarHBondContact O-CB 3.06Å; Q158-L162 PolarHBondContact O-N 3.15Å; T159-L162 PolarHBondContact O-N 3.35Å; R160-L162 VanDerWaalsContact C-N 3.32Å; R160-L162 PolarHBondContact O-N 3.06Å; L162-L165 HydrophobicContact CD1-CD2 4.15Å; L162-L165 WeakPolarHBondContact O-CB 3.4Å; L162-L165 PolarHBondContact O-N 2.68Å; L162-F166 HydrophobicContact CD1-CD2 3.94Å; L162-F166 HydrophobicContact CD1-CE2 3.68Å; L162-F166 HydrophobicContact CG-CD2 4Å; L162-F166 HydrophobicContact CG-CE2 4.01Å; L162-F166 VanDerWaalsContact O-CD2 3.3Å; L162-F166 WeakPolarHBondContact O-CD2 2.7Å; L162-F166 PolarHBondContact O-N 3.44Å
163	S	96.6	Very high	95.6	Very high	57 Å²	57	48.2 Å²	48.2	40%	0.399	23%	0.232	S	C	.	.	H	α-helix	trans	-61.9	-43.2	175.5	-178.8	0	0	0	0	111.9	T159 R160 L161 F166 Y167	T159-S163 WeakPolarHBondContact O-CB 3.48Å; T159-S163 PolarHBondContact O-N 2.91Å; R160-S163 WeakPolarHBondContact O-CB 3.35Å; R160-S163 PolarHBondContact O-N 2.84Å; L161-S163 VanDerWaalsContact C-N 3.33Å; L161-S163 PolarHBondContact O-N 3.32Å; S163-F166 PolarHBondContact O-N 3.21Å; S163-Y167 WeakPolarHBondContact O-CB 3.34Å; S163-Y167 PolarHBondContact O-N 3.12Å
164	S	97.4	Very high	95.9	Very high	47 Å²	47	43.2 Å²	43.2	33%	0.329	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-45.1	174.3	-168.1	0	0	0	0	111.9	E52 R160 L161 F166 Y167 N168	E52-S164 WeakPolarHBondContact OE1-CB 3.41Å; E52-S164 PolarHBondContact OE1-OG 3.16Å; R160-S164 PolarHBondContact O-N 3.39Å; L161-S164 WeakPolarHBondContact O-CB 3.18Å; L161-S164 PolarHBondContact O-N 2.04Å; S164-F166 PolarHBondContact O-N 3.03Å; S164-Y167 WeakPolarHBondContact O-CB 3.37Å; S164-Y167 PolarHBondContact O-N 3.03Å; S164-N168 PolarHBondContact O-N 3.08Å; S164-N168 PolarHBondContact O-ND2 3.27Å
165	L	97.9	Very high	96.1	Very high	18 Å²	18	42.3 Å²	42.3	9%	0.094	21%	0.206	C	C	.	.	H	α-helix	trans	-55.7	-50.2	175	174.4	61.3	0	0	0	111.5	I49 E52 K53 L161 L162 Y167 N168 V169	I49-L165 HydrophobicContact CB-CD1 4.16Å; I49-L165 HydrophobicContact CG1-CD1 4.36Å; I49-L165 HydrophobicContact CG2-CD1 3.81Å; I49-L165 WeakPolarHBondContact O-CD1 3.33Å; E52-L165 HydrophobicContact CB-CB 4.13Å; E52-L165 HydrophobicContact CB-CD1 4.09Å; E52-L165 WeakPolarHBondContact OE2-CA 3.47Å; E52-L165 PolarHBondContact OE2-N 2.76Å; K53-L165 HydrophobicContact CB-CD1 4.3Å; K53-L165 HydrophobicContact CB-CD2 4.27Å; L161-L165 PolarHBondContact O-N 2.79Å; L162-L165 HydrophobicContact CD1-CD2 4.15Å; L162-L165 WeakPolarHBondContact O-CB 3.4Å; L162-L165 PolarHBondContact O-N 2.68Å; L165-Y167 PolarHBondContact O-N 3Å; L165-N168 PolarHBondContact O-N 2.93Å; L165-V169 HydrophobicContact CD1-CG2 4.5Å; L165-V169 WeakPolarHBondContact O-CG2 3.29Å; L165-V169 PolarHBondContact O-N 2.94Å
166	F	97.7	Very high	96.3	Very high	20 Å²	20	46.9 Å²	46.9	9%	0.088	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-37	179.8	-88	-79.7	0	0	0	112.9	T82 F85 K86 I89 L162 S163 S164 N168 V169 Y170	T82-F166 HydrophobicContact CG2-CE2 4.16Å; T82-F166 HydrophobicContact CG2-CZ 3.9Å; F85-F166 HydrophobicContact CB-CB 4.06Å; F85-F166 HydrophobicContact CB-CD1 3.93Å; F85-F166 HydrophobicContact CB-CD2 3.56Å; F85-F166 HydrophobicContact CB-CE1 4.32Å; F85-F166 HydrophobicContact CB-CE2 3.95Å; F85-F166 HydrophobicContact CB-CG 3.56Å; F85-F166 HydrophobicContact CB-CZ 4.32Å; F85-F166 HydrophobicContact CD2-CB 4.44Å; F85-F166 AromaticContact CD2-CD2 3.76Å; F85-F166 HydrophobicContact CD2-CD2 3.76Å; F85-F166 HydrophobicContact CD2-CE2 4.43Å; F85-F166 HydrophobicContact CD2-CG 4.3Å; F85-F166 HydrophobicContact CG-CD2 4.17Å; F85-F166 HydrophobicContact CG-CG 4.38Å; K86-F166 HydrophobicContact CB-CE1 4.21Å; K86-F166 HydrophobicContact CG-CE1 3.4Å; K86-F166 VanDerWaalsContact CG-CE1 3.4Å; K86-F166 HydrophobicContact CG-CZ 3.64Å; I89-F166 HydrophobicContact CD1-CD1 3.69Å; I89-F166 HydrophobicContact CD1-CE1 4.17Å; I89-F166 HydrophobicContact CG1-CD1 4Å; I89-F166 HydrophobicContact CG2-CB 4.02Å; I89-F166 HydrophobicContact CG2-CD1 4.2Å; L162-F166 HydrophobicContact CD1-CD2 3.94Å; L162-F166 HydrophobicContact CD1-CE2 3.68Å; L162-F166 HydrophobicContact CG-CD2 4Å; L162-F166 HydrophobicContact CG-CE2 4.01Å; L162-F166 VanDerWaalsContact O-CD2 3.3Å; L162-F166 WeakPolarHBondContact O-CD2 2.7Å; L162-F166 PolarHBondContact O-N 3.44Å; S163-F166 PolarHBondContact O-N 3.21Å; S164-F166 PolarHBondContact O-N 3.03Å; F166-N168 VanDerWaalsContact C-N 3.34Å; F166-N168 PolarHBondContact O-N 3.38Å; F166-V169 PolarHBondContact O-N 3.47Å; F166-Y170 PolarHBondContact O-N 2.99Å
167	Y	97.7	Very high	96.4	Very high	116 Å²	116	46.5 Å²	46.5	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-60.5	-43.1	172.1	173.5	-98.5	0	0	0	112.1	S163 S164 L165 Y170 K171	S163-Y167 WeakPolarHBondContact O-CB 3.34Å; S163-Y167 PolarHBondContact O-N 3.12Å; S164-Y167 WeakPolarHBondContact O-CB 3.37Å; S164-Y167 PolarHBondContact O-N 3.03Å; L165-Y167 PolarHBondContact O-N 3Å; Y167-Y170 HydrophobicContact CD2-CD1 4.12Å; Y167-Y170 HydrophobicContact CE2-CD1 4.26Å; Y167-Y170 HydrophobicContact CE2-CE1 4.35Å; Y167-Y170 WeakPolarHBondContact O-CB 3.45Å; Y167-Y170 PolarHBondContact O-N 2.73Å; Y167-K171 HydrophobicContact CD1-CG 4.41Å; Y167-K171 HydrophobicContact CE1-CG 3.92Å; Y167-K171 HydrophobicContact CE2-CD 4.47Å; Y167-K171 HydrophobicContact CE2-CG 4.15Å; Y167-K171 VanDerWaalsContact CZ-CE 3.44Å; Y167-K171 PolarHBondContact O-N 2.99Å; Y167-K171 WeakPolarHBondContact OH-CE 3.24Å
168	N	97.6	Very high	96.6	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.053	21%	0.213	C	C	.	.	H	α-helix	trans	-67	-37.2	176.9	-72.1	-38.8	0	0	0	111.8	Y45 I49 E52 S164 L165 F166 K171 L172	Y45-N168 HydrophobicContact CD1-CB 4.13Å; Y45-N168 WeakPolarHBondContact CD1-OD1 3.42Å; I49-N168 HydrophobicContact CD1-CB 4.39Å; I49-N168 HydrophobicContact CG1-CB 3.72Å; E52-N168 PolarHBondContact OE1-ND2 3.33Å; E52-N168 VanDerWaalsContact OE1-ND2 3.08Å; E52-N168 PolarHBondContact OE2-ND2 3.02Å; S164-N168 PolarHBondContact O-N 3.08Å; S164-N168 PolarHBondContact O-ND2 3.27Å; L165-N168 PolarHBondContact O-N 2.93Å; F166-N168 VanDerWaalsContact C-N 3.34Å; F166-N168 PolarHBondContact O-N 3.38Å; N168-K171 PolarHBondContact O-N 3.12Å; N168-L172 WeakPolarHBondContact O-CB 3.32Å; N168-L172 PolarHBondContact O-N 3.24Å
169	V	97.9	Very high	96.6	Very high	34 Å²	34	44.8 Å²	44.8	21%	0.206	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-45.2	171.3	172.9	0	0	0	0	111.1	I49 I89 L165 F166 L172 N173	I49-V169 HydrophobicContact CD1-CB 4.47Å; I49-V169 HydrophobicContact CD1-CG2 3.92Å; I49-V169 HydrophobicContact CG1-CG2 4Å; I49-V169 HydrophobicContact CG2-CG2 4.2Å; I89-V169 HydrophobicContact CD1-CB 4.22Å; I89-V169 HydrophobicContact CD1-CG1 3.61Å; L165-V169 HydrophobicContact CD1-CG2 4.5Å; L165-V169 WeakPolarHBondContact O-CG2 3.29Å; L165-V169 PolarHBondContact O-N 2.94Å; F166-V169 PolarHBondContact O-N 3.47Å; V169-L172 PolarHBondContact O-N 3.03Å; V169-N173 WeakPolarHBondContact CG1-ND2 3.43Å; V169-N173 PolarHBondContact O-N 3.16Å; V169-N173 PolarHBondContact O-ND2 3.04Å
170	Y	97.4	Very high	96.6	Very high	21 Å²	21	48.1 Å²	48.1	8%	0.082	23%	0.233	C	C	.	.	H	α-helix	trans	-55.3	-52.6	173.8	154.1	-107.1	0	0	0	111	E92 I93 E96 F166 Y167 L172 N173 V174	E92-Y170 HydrophobicContact CB-CD2 3.94Å; E92-Y170 HydrophobicContact CB-CE2 3.85Å; I93-Y170 HydrophobicContact CG1-CD2 3.82Å; E96-Y170 HydrophobicContact CB-CE2 4.4Å; F166-Y170 PolarHBondContact O-N 2.99Å; Y167-Y170 HydrophobicContact CD2-CD1 4.12Å; Y167-Y170 HydrophobicContact CE2-CD1 4.26Å; Y167-Y170 HydrophobicContact CE2-CE1 4.35Å; Y167-Y170 WeakPolarHBondContact O-CB 3.45Å; Y167-Y170 PolarHBondContact O-N 2.73Å; Y170-L172 VanDerWaalsContact C-N 3.35Å; Y170-L172 PolarHBondContact O-N 3.4Å; Y170-N173 PolarHBondContact O-N 3.46Å; Y170-V174 HydrophobicContact CD2-CG2 3.84Å; Y170-V174 HydrophobicContact CE2-CG2 3.46Å; Y170-V174 VanDerWaalsContact CE2-CG2 3.46Å; Y170-V174 WeakPolarHBondContact O-CG2 3.44Å; Y170-V174 PolarHBondContact O-N 2.84Å
171	K	97.7	Very high	96.4	Very high	47 Å²	47	40.1 Å²	40.1	20%	0.204	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-36.8	179.6	-70.2	-58.7	-174.4	-165.9	0	113.4	Y45 Y167 N168 N175	Y45-K171 HydrophobicContact CD1-CB 3.93Å; Y45-K171 HydrophobicContact CD2-CB 4.09Å; Y45-K171 HydrophobicContact CE1-CB 3.48Å; Y45-K171 VanDerWaalsContact CE1-CB 3.48Å; Y45-K171 HydrophobicContact CE1-CG 3.97Å; Y45-K171 HydrophobicContact CE2-CB 3.69Å; Y45-K171 HydrophobicContact CG-CB 4.22Å; Y167-K171 HydrophobicContact CD1-CG 4.41Å; Y167-K171 HydrophobicContact CE1-CG 3.92Å; Y167-K171 HydrophobicContact CE2-CD 4.47Å; Y167-K171 HydrophobicContact CE2-CG 4.15Å; Y167-K171 VanDerWaalsContact CZ-CE 3.44Å; Y167-K171 PolarHBondContact O-N 2.99Å; Y167-K171 WeakPolarHBondContact OH-CE 3.24Å; N168-K171 PolarHBondContact O-N 3.12Å; K171-N175 VanDerWaalsContact O-CB 3.22Å; K171-N175 WeakPolarHBondContact O-CB 3.2Å; K171-N175 VanDerWaalsContact O-CG 3.25Å; K171-N175 PolarHBondContact O-N 3Å; K171-N175 PolarHBondContact O-ND2 3.45Å
172	L	97.4	Very high	96.3	Very high	38 Å²	38	38.7 Å²	38.7	20%	0.199	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-49.6	174	-176.3	76.1	0	0	0	110.9	L42 I49 N168 V169 Y170 N175 L176	L42-L172 HydrophobicContact CB-CD1 4.48Å; L42-L172 HydrophobicContact CD2-CD1 3.74Å; L42-L172 HydrophobicContact CD2-CG 4.43Å; L42-L172 WeakPolarHBondContact CD2-O 3.32Å; I49-L172 HydrophobicContact CD1-CB 3.86Å; I49-L172 HydrophobicContact CD1-CD2 3.67Å; I49-L172 HydrophobicContact CD1-CG 4.27Å; N168-L172 WeakPolarHBondContact O-CB 3.32Å; N168-L172 PolarHBondContact O-N 3.24Å; V169-L172 PolarHBondContact O-N 3.03Å; Y170-L172 VanDerWaalsContact C-N 3.35Å; Y170-L172 PolarHBondContact O-N 3.4Å; L172-N175 PolarHBondContact O-N 2.7Å; L172-L176 WeakPolarHBondContact O-CB 3.47Å; L172-L176 PolarHBondContact O-N 3.35Å
173	N	95.9	Very high	96.2	Very high	66 Å²	66	40.9 Å²	40.9	35%	0.353	21%	0.208	S	C	.	.	H	α-helix	trans	-66.2	-45	-176.9	-80.1	-80	0	0	0	112.4	I93 V169 Y170 N175 L176 F177	I93-N173 HydrophobicContact CD1-CB 3.61Å; I93-N173 HydrophobicContact CG1-CB 4.1Å; V169-N173 WeakPolarHBondContact CG1-ND2 3.43Å; V169-N173 PolarHBondContact O-N 3.16Å; V169-N173 PolarHBondContact O-ND2 3.04Å; Y170-N173 PolarHBondContact O-N 3.46Å; N173-N175 VanDerWaalsContact C-N 3.35Å; N173-N175 PolarHBondContact O-N 2.85Å; N173-L176 PolarHBondContact O-N 2.96Å; N173-F177 PolarHBondContact O-N 2.88Å
174	V	95.8	Very high	96	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.036	21%	0.207	C	C	.	.	H	α-helix	trans	-59.2	-47	176	169.2	0	0	0	0	111	I93 E96 I100 Y170 L176 F177 E178	I93-V174 HydrophobicContact CG1-CG2 4.37Å; E96-V174 HydrophobicContact CB-CG2 4.06Å; E96-V174 HydrophobicContact CG-CB 4.47Å; E96-V174 HydrophobicContact CG-CG1 3.64Å; E96-V174 HydrophobicContact CG-CG2 3.89Å; I100-V174 HydrophobicContact CD1-CG1 3.49Å; I100-V174 VanDerWaalsContact CD1-CG1 3.49Å; Y170-V174 HydrophobicContact CD2-CG2 3.84Å; Y170-V174 HydrophobicContact CE2-CG2 3.46Å; Y170-V174 VanDerWaalsContact CE2-CG2 3.46Å; Y170-V174 WeakPolarHBondContact O-CG2 3.44Å; Y170-V174 PolarHBondContact O-N 2.84Å; V174-L176 VanDerWaalsContact C-N 3.32Å; V174-L176 PolarHBondContact O-N 3.42Å; V174-F177 PolarHBondContact O-N 3.34Å; V174-E178 PolarHBondContact O-N 3.42Å
175	N	95.3	Very high	95.7	Very high	19 Å²	19	39.4 Å²	39.4	10%	0.102	19%	0.191	C	C	.	.	H	α-helix	trans	-65.2	-36.5	178.1	-80.3	-9.1	0	0	0	112.4	I38 L42 Y45 K171 L172 N173 F177 E178 H179	I38-N175 HydrophobicContact CG2-CB 3.77Å; I38-N175 VanDerWaalsContact CG2-O 3.23Å; I38-N175 WeakPolarHBondContact CG2-O 3.41Å; L42-N175 HydrophobicContact CD2-CB 3.61Å; L42-N175 HydrophobicContact CG-CB 4.17Å; Y45-N175 WeakPolarHBondContact CE2-ND2 3.02Å; K171-N175 VanDerWaalsContact O-CB 3.22Å; K171-N175 WeakPolarHBondContact O-CB 3.2Å; K171-N175 VanDerWaalsContact O-CG 3.25Å; K171-N175 PolarHBondContact O-N 3Å; K171-N175 PolarHBondContact O-ND2 3.45Å; L172-N175 PolarHBondContact O-N 2.7Å; N173-N175 VanDerWaalsContact C-N 3.35Å; N173-N175 PolarHBondContact O-N 2.85Å; N175-F177 VanDerWaalsContact C-N 3.33Å; N175-E178 PolarHBondContact O-N 3.46Å; N175-H179 WeakPolarHBondContact O-CB 3.46Å; N175-H179 PolarHBondContact O-N 2.98Å
176	L	96	Very high	95.5	Very high	96 Å²	96	41.5 Å²	41.5	50%	0.503	20%	0.199	S	C	.	.	H	α-helix	trans	-65.5	-42.4	178.6	-174.6	66.2	0	0	0	110.3	L42 L172 N173 V174 H179 Q180	L42-L176 HydrophobicContact CD1-CD1 4.3Å; L42-L176 HydrophobicContact CD2-CB 4.12Å; L172-L176 WeakPolarHBondContact O-CB 3.47Å; L172-L176 PolarHBondContact O-N 3.35Å; N173-L176 PolarHBondContact O-N 2.96Å; V174-L176 VanDerWaalsContact C-N 3.32Å; V174-L176 PolarHBondContact O-N 3.42Å; L176-H179 PolarHBondContact O-N 3.49Å; L176-Q180 PolarHBondContact O-N 3.33Å
177	F	95.7	Very high	95.1	Very high	47 Å²	47	44.7 Å²	44.7	21%	0.206	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-50.8	175	179.4	-100.6	0	0	0	112.1	C97 I100 M101 F125 N173 V174 N175 H179 Q180 L181	C97-F177 HydrophobicContact CB-CD1 4Å; C97-F177 HydrophobicContact CB-CE1 3.88Å; C97-F177 HydrophobicContact CB-CG 4.48Å; C97-F177 HydrophobicContact CB-CZ 4.27Å; I100-F177 HydrophobicContact CB-CD1 4.48Å; I100-F177 HydrophobicContact CB-CE1 4.35Å; I100-F177 HydrophobicContact CG2-CD1 4.11Å; I100-F177 HydrophobicContact CG2-CE1 4.02Å; M101-F177 HydrophobicContact CG-CE1 3.78Å; M101-F177 HydrophobicContact CG-CZ 3.56Å; M101-F177 HydrophobicContact SD-CZ 3.87Å; F125-F177 AromaticContact CE2-CE2 3.83Å; F125-F177 HydrophobicContact CE2-CE2 3.83Å; F125-F177 AromaticContact CE2-CZ 3.8Å; F125-F177 HydrophobicContact CE2-CZ 3.8Å; F125-F177 HydrophobicContact CZ-CD2 4.23Å; F125-F177 AromaticContact CZ-CE2 3.75Å; F125-F177 HydrophobicContact CZ-CE2 3.75Å; F125-F177 HydrophobicContact CZ-CZ 4.17Å; N173-F177 PolarHBondContact O-N 2.88Å; V174-F177 PolarHBondContact O-N 3.34Å; N175-F177 VanDerWaalsContact C-N 3.33Å; F177-H179 VanDerWaalsContact C-N 3.33Å; F177-H179 PolarHBondContact O-N 3.42Å; F177-Q180 PolarHBondContact O-N 2.93Å; F177-L181 HydrophobicContact CE1-CD2 4.3Å; F177-L181 WeakPolarHBondContact O-CB 3.43Å; F177-L181 PolarHBondContact O-N 3.32Å
178	E	95.9	Very high	94.8	Very high	26 Å²	26	43.2 Å²	43.2	12%	0.121	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-46.7	177.2	-168.3	-172.2	167.1	0	0	110.8	R34 I38 I100 V174 N175 Q180 L181 L182	R34-E178 IonicContact CZ-OE1 3.04Å; R34-E178 IonicContact CZ-OE2 2.79Å; R34-E178 IonicContact NE-OE1 3.39Å; R34-E178 PolarHBondContact NE-OE1 2.91Å; R34-E178 IonicContact NE-OE2 3.74Å; R34-E178 VanDerWaalsContact NH2-CD 3.32Å; R34-E178 IonicContact NH2-OE1 2.72Å; R34-E178 PolarHBondContact NH2-OE1 2.82Å; R34-E178 IonicContact NH2-OE2 3.5Å; R34-E178 PolarHBondContact NH2-OE2 3.41Å; I38-E178 HydrophobicContact CD1-CB 4.15Å; I38-E178 VanDerWaalsContact CD1-CD 3.46Å; I38-E178 HydrophobicContact CD1-CG 3.75Å; I100-E178 HydrophobicContact CD1-CB 4.28Å; I100-E178 HydrophobicContact CG2-CB 4.2Å; I100-E178 HydrophobicContact CG2-CG 4.06Å; V174-E178 PolarHBondContact O-N 3.42Å; N175-E178 PolarHBondContact O-N 3.46Å; E178-Q180 PolarHBondContact O-N 3.22Å; E178-L181 PolarHBondContact O-N 3.28Å; E178-L182 HydrophobicContact CG-CD1 3.9Å; E178-L182 HydrophobicContact CG-CG 4.17Å; E178-L182 WeakPolarHBondContact O-CB 3.34Å; E178-L182 VanDerWaalsContact O-CG 3.27Å; E178-L182 WeakPolarHBondContact O-CG 3.44Å; E178-L182 PolarHBondContact O-N 3.32Å
179	H	94.8	Very high	94.4	Very high	31 Å²	31	44.1 Å²	44.1	14%	0.144	22%	0.217	C	C	.	.	H	α-helix	trans	-56.5	-50	179.1	178.3	-85.9	0	0	0	111.7	I38 L42 N175 L176 F177 L181 L182 L183	I38-H179 HydrophobicContact CB-CB 4.48Å; I38-H179 HydrophobicContact CG2-CB 3.76Å; L42-H179 HydrophobicContact CD1-CB 4.29Å; N175-H179 WeakPolarHBondContact O-CB 3.46Å; N175-H179 PolarHBondContact O-N 2.98Å; L176-H179 PolarHBondContact O-N 3.49Å; F177-H179 VanDerWaalsContact C-N 3.33Å; F177-H179 PolarHBondContact O-N 3.42Å; H179-L181 VanDerWaalsContact C-N 3.34Å; H179-L181 PolarHBondContact O-N 2.98Å; H179-L182 PolarHBondContact O-N 2.9Å; H179-L183 VanDerWaalsContact O-CB 3.25Å; H179-L183 WeakPolarHBondContact O-CB 3.37Å; H179-L183 PolarHBondContact O-N 2.93Å
180	Q	94.3	Very high	93.7	Very high	96 Å²	96	46.5 Å²	46.5	45%	0.449	23%	0.228	S	C	.	.	H	α-helix	trans	-62.2	-44	-179.9	-174.8	60.5	50	0	0	111.3	L176 F177 E178 L182 L183 D184	L176-Q180 PolarHBondContact O-N 3.33Å; F177-Q180 PolarHBondContact O-N 2.93Å; E178-Q180 PolarHBondContact O-N 3.22Å; Q180-L182 PolarHBondContact O-N 3.32Å; Q180-L183 PolarHBondContact O-N 2.7Å; Q180-D184 PolarHBondContact NE2-OD1 2.86Å; Q180-D184 PolarHBondContact O-N 2.93Å
181	L	92.7	Very high	93.1	Very high	10 Å²	10	52.6 Å²	52.6	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-43.5	-179.5	-171.7	64.6	0	0	0	112	I100 M101 V104 Y112 M113 F177 E178 H179 I185	I100-L181 HydrophobicContact CG2-CD2 4.15Å; M101-L181 HydrophobicContact CG-CD2 4.28Å; V104-L181 HydrophobicContact CB-CD2 3.83Å; V104-L181 HydrophobicContact CG1-CD2 3.8Å; V104-L181 HydrophobicContact CG1-CG 3.98Å; V104-L181 HydrophobicContact CG2-CD2 3.96Å; Y112-L181 HydrophobicContact CE2-CD1 3.75Å; Y112-L181 HydrophobicContact CE2-CD2 4.07Å; Y112-L181 HydrophobicContact CE2-CG 4.13Å; M113-L181 HydrophobicContact CE-CD1 3.53Å; F177-L181 HydrophobicContact CE1-CD2 4.3Å; F177-L181 WeakPolarHBondContact O-CB 3.43Å; F177-L181 PolarHBondContact O-N 3.32Å; E178-L181 PolarHBondContact O-N 3.28Å; H179-L181 VanDerWaalsContact C-N 3.34Å; H179-L181 PolarHBondContact O-N 2.98Å; L181-I185 WeakPolarHBondContact O-CD1 3.31Å; L181-I185 WeakPolarHBondContact O-CG1 3.44Å; L181-I185 PolarHBondContact O-N 3.39Å
182	L	94.9	Very high	92.9	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-69	-37.6	177.3	-68.2	-175.9	0	0	0	112.2	L31 R34 I35 I38 V104 Y108 E178 H179 Q180 I185 Y186	L31-L182 HydrophobicContact CD1-CB 3.76Å; L31-L182 HydrophobicContact CD1-CD1 4.32Å; L31-L182 HydrophobicContact CD1-CD2 3.69Å; L31-L182 HydrophobicContact CD1-CG 4.11Å; R34-L182 HydrophobicContact CB-CD1 4.34Å; R34-L182 HydrophobicContact CG-CD1 3.52Å; I35-L182 HydrophobicContact CD1-CB 4.2Å; I35-L182 HydrophobicContact CG1-CB 3.76Å; I38-L182 HydrophobicContact CD1-CD1 3.7Å; V104-L182 HydrophobicContact CG1-CD2 4.19Å; V104-L182 HydrophobicContact CG2-CD2 3.9Å; Y108-L182 HydrophobicContact CE2-CD2 3.99Å; E178-L182 HydrophobicContact CG-CD1 3.9Å; E178-L182 HydrophobicContact CG-CG 4.17Å; E178-L182 WeakPolarHBondContact O-CB 3.34Å; E178-L182 VanDerWaalsContact O-CG 3.27Å; E178-L182 WeakPolarHBondContact O-CG 3.44Å; E178-L182 PolarHBondContact O-N 3.32Å; H179-L182 PolarHBondContact O-N 2.9Å; Q180-L182 PolarHBondContact O-N 3.32Å; L182-I185 WeakPolarHBondContact O-CB 3.23Å; L182-I185 PolarHBondContact O-N 2.84Å; L182-Y186 WeakPolarHBondContact O-CB 3.36Å; L182-Y186 PolarHBondContact O-N 2.89Å
183	L	93.9	Very high	92.6	Very high	50 Å²	50	53.6 Å²	53.6	26%	0.262	28%	0.281	S	S	.	.	H	α-helix	trans	-64.4	-41.7	176.4	-176	62.2	0	0	0	111.6	H179 Q180 I185 Y186 N187	H179-L183 VanDerWaalsContact O-CB 3.25Å; H179-L183 WeakPolarHBondContact O-CB 3.37Å; H179-L183 PolarHBondContact O-N 2.93Å; Q180-L183 PolarHBondContact O-N 2.7Å; L183-I185 VanDerWaalsContact C-N 3.27Å; L183-I185 PolarHBondContact O-N 3.5Å; L183-Y186 WeakPolarHBondContact O-CB 3.38Å; L183-Y186 PolarHBondContact O-N 2.8Å; L183-N187 VanDerWaalsContact O-CG 3.24Å; L183-N187 PolarHBondContact O-N 2.98Å; L183-N187 PolarHBondContact O-ND2 3.32Å
184	D	91.1	Very high	92.5	Very high	71 Å²	71	52.9 Å²	52.9	38%	0.38	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-39.7	174.9	-74.9	-3	0	0	0	111.9	Q180 K188	Q180-D184 PolarHBondContact NE2-OD1 2.86Å; Q180-D184 PolarHBondContact O-N 2.93Å; D184-K188 WeakPolarHBondContact O-CG 3.44Å; D184-K188 PolarHBondContact O-N 3.37Å
185	I	92.8	Very high	92.3	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-67.8	-45.6	176.3	-69.2	163.3	0	0	0	110.5	L31 V104 Y108 H111 Y112 L181 L182 L183 N187 K188 M189	L31-I185 HydrophobicContact CD2-CB 4.32Å; L31-I185 HydrophobicContact CD2-CG2 3.74Å; V104-I185 HydrophobicContact CG1-CD1 3.08Å; Y108-I185 HydrophobicContact CD1-CG2 3.88Å; Y108-I185 HydrophobicContact CD2-CD1 4.08Å; Y108-I185 HydrophobicContact CG-CD1 4.2Å; Y108-I185 HydrophobicContact CG-CG2 3.85Å; H111-I185 HydrophobicContact CB-CG2 3.98Å; Y112-I185 HydrophobicContact CD2-CD1 3.93Å; Y112-I185 HydrophobicContact CD2-CG1 4.45Å; Y112-I185 HydrophobicContact CE2-CD1 4.47Å; L181-I185 WeakPolarHBondContact O-CD1 3.31Å; L181-I185 WeakPolarHBondContact O-CG1 3.44Å; L181-I185 PolarHBondContact O-N 3.39Å; L182-I185 WeakPolarHBondContact O-CB 3.23Å; L182-I185 PolarHBondContact O-N 2.84Å; L183-I185 VanDerWaalsContact C-N 3.27Å; L183-I185 PolarHBondContact O-N 3.5Å; I185-N187 VanDerWaalsContact C-N 3.28Å; I185-N187 PolarHBondContact O-N 3.08Å; I185-K188 PolarHBondContact O-N 2.95Å; I185-M189 HydrophobicContact CG2-SD 4.18Å; I185-M189 WeakPolarHBondContact O-CG 3.15Å; I185-M189 PolarHBondContact O-N 3.05Å
186	Y	92.3	Very high	92.1	Very high	62 Å²	62	58 Å²	58	24%	0.243	30%	0.303	C	S	.	.	H	α-helix	trans	-57.4	-45	178.1	-178.2	-91.2	0	0	0	110.8	Q28 L31 I35 L182 L183 K188 M189 N190	Q28-Y186 HydrophobicContact CG-CD2 4.15Å; Q28-Y186 HydrophobicContact CG-CE2 3.59Å; Q28-Y186 PolarHBondContact NE2-OH 2.93Å; L31-Y186 HydrophobicContact CD2-CD2 4.14Å; L31-Y186 HydrophobicContact CD2-CG 4.48Å; L31-Y186 HydrophobicContact CG-CD2 4.24Å; I35-Y186 HydrophobicContact CD1-CD2 4.44Å; I35-Y186 HydrophobicContact CD1-CG 4.19Å; L182-Y186 WeakPolarHBondContact O-CB 3.36Å; L182-Y186 PolarHBondContact O-N 2.89Å; L183-Y186 WeakPolarHBondContact O-CB 3.38Å; L183-Y186 PolarHBondContact O-N 2.8Å; Y186-K188 PolarHBondContact O-N 2.94Å; Y186-M189 PolarHBondContact O-N 3.29Å; Y186-N190 VanDerWaalsContact CE1-ND2 3.32Å; Y186-N190 WeakPolarHBondContact CE1-ND2 3.42Å; Y186-N190 PolarHBondContact O-N 3.25Å; Y186-N190 PolarHBondContact O-ND2 3.17Å
187	N	91	Very high	91.8	Very high	87 Å²	87	55.5 Å²	55.5	47%	0.465	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-40.4	179	-68.4	-21.6	0	0	0	112.1	L183 I185 M189 N190 S191	L183-N187 VanDerWaalsContact O-CG 3.24Å; L183-N187 PolarHBondContact O-N 2.98Å; L183-N187 PolarHBondContact O-ND2 3.32Å; I185-N187 VanDerWaalsContact C-N 3.28Å; I185-N187 PolarHBondContact O-N 3.08Å; N187-M189 VanDerWaalsContact C-N 3.35Å; N187-M189 PolarHBondContact O-N 3.11Å; N187-N190 CarbonylContact O-C 3.55Å; N187-N190 PolarHBondContact O-N 2.79Å; N187-N190 VanDerWaalsContact O-N 3.15Å; N187-S191 PolarHBondContact O-N 3.05Å; N187-S191 VanDerWaalsContact O-N 3.13Å
188	K	90.6	Very high	91.5	Very high	85 Å²	85	56.1 Å²	56.1	37%	0.37	30%	0.296	S	S	.	.	H	α-helix	trans	-69.2	-28.3	175.5	-73.5	171.5	177.3	176.8	0	114.4	H111 Y112 D184 I185 Y186 N190 S191	H111-K188 HydrophobicContact CB-CB 4.42Å; H111-K188 WeakPolarHBondContact O-CD 3.21Å; H111-K188 PolarHBondContact O-NZ 3.36Å; Y112-K188 PolarHBondContact O-NZ 2.83Å; Y112-K188 VanDerWaalsContact O-NZ 3.1Å; D184-K188 WeakPolarHBondContact O-CG 3.44Å; D184-K188 PolarHBondContact O-N 3.37Å; I185-K188 PolarHBondContact O-N 2.95Å; Y186-K188 PolarHBondContact O-N 2.94Å; K188-N190 PolarHBondContact O-N 3.08Å; K188-S191 PolarHBondContact O-OG 3.39Å
189	M	88.9	Confident	91.2	Very high	29 Å²	29	58.4 Å²	58.4	14%	0.143	31%	0.309	C	S	.	.	H	α-helix	trans	-70.5	-19.7	173	-72.2	-178.5	68	0	0	112	K27 Q28 L31 H111 I185 Y186 N187	K27-M189 HydrophobicContact CB-CE 4.27Å; Q28-M189 HydrophobicContact CB-CE 4.08Å; L31-M189 HydrophobicContact CD2-SD 3.87Å; H111-M189 HydrophobicContact CB-CG 3.98Å; H111-M189 WeakPolarHBondContact ND1-CG 3.45Å; I185-M189 HydrophobicContact CG2-SD 4.18Å; I185-M189 WeakPolarHBondContact O-CG 3.15Å; I185-M189 PolarHBondContact O-N 3.05Å; Y186-M189 PolarHBondContact O-N 3.29Å; N187-M189 VanDerWaalsContact C-N 3.35Å; N187-M189 PolarHBondContact O-N 3.11Å
190	N	84.4	Confident	90.9	Very high	84 Å²	84	60.7 Å²	60.7	45%	0.449	32%	0.323	S	S	.	.			trans	-108.7	2.6	-177	-73	-73.5	0	0	0	114.1	Q28 Y186 N187 K188	Q28-N190 VanDerWaalsContact NE2-CG 3.27Å; Q28-N190 PolarHBondContact NE2-ND2 2.81Å; Q28-N190 PolarHBondContact NE2-OD1 3Å; Y186-N190 VanDerWaalsContact CE1-ND2 3.32Å; Y186-N190 WeakPolarHBondContact CE1-ND2 3.42Å; Y186-N190 PolarHBondContact O-N 3.25Å; Y186-N190 PolarHBondContact O-ND2 3.17Å; N187-N190 CarbonylContact O-C 3.55Å; N187-N190 PolarHBondContact O-N 2.79Å; N187-N190 VanDerWaalsContact O-N 3.15Å; K188-N190 PolarHBondContact O-N 3.08Å
191	S	83.8	Confident	90.6	Very high	148 Å²	148	57.5 Å²	57.5	100%	1.035	31%	0.312	S	S	*	.			trans	-92.8	0	175	63.4	0	0	0	0	110.9	N187 K188	N187-S191 PolarHBondContact O-N 3.05Å; N187-S191 VanDerWaalsContact O-N 3.13Å; K188-S191 PolarHBondContact O-OG 3.39Å

Retrieved 191 of 191 residues in 101.5 ms (Link to these results)

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