A0A5K4F1M6_SCHMA Loading...

Serine/threonine-protein kinase DDB_G0282963

AlphaFold DB , UniProt , Accession A0A5K4F1M6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 354 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	45.6	Very low	237 Å²	237	127 Å²	127	100%	1.167	66%	0.658	S	S	*	*				0	131.4	0	-82.1	-174	-110.9	0	0	109
2	N	35.7	Very low	46.4	Very low	87 Å²	87	130.8 Å²	130.8	47%	0.465	67%	0.67	S	S	.	*			trans	-85.4	124.6	-177.9	-169.8	1.4	0	0	0	109.1	Q4 E5	N2-Q4 PolarHBondContact O-N 3.37Å; N2-Q4 VanDerWaalsContact O-N 3.07Å; N2-E5 PolarHBondContact O-N 3.31Å
3	L	45.5	Very low	47.6	Very low	144 Å²	144	126.8 Å²	126.8	75%	0.754	65%	0.65	S	S	*	*	H	α-helix	trans	-61	-19.2	-177.2	-75.9	161	0	0	0	113.3	E5 V6	L3-E5 VanDerWaalsContact C-N 3.33Å; L3-E5 PolarHBondContact O-N 2.96Å; L3-V6 PolarHBondContact O-N 3.43Å
4	Q	46.8	Very low	49.6	Very low	135 Å²	135	122.6 Å²	122.6	63%	0.631	63%	0.633	S	S	*	*	H	α-helix	trans	-66.7	-26.9	173.2	-99	168.9	-23.7	0	0	114.4	N2 V6	N2-Q4 PolarHBondContact O-N 3.37Å; N2-Q4 VanDerWaalsContact O-N 3.07Å; Q4-V6 VanDerWaalsContact C-N 3.29Å
5	E	44.4	Very low	51.2	Low	140 Å²	140	121.4 Å²	121.4	65%	0.654	64%	0.64	S	S	*	*	H	α-helix	trans	-72.2	-27.7	175.3	-75.7	178.5	154.6	0	0	111.8	N2 L3 A8	N2-E5 PolarHBondContact O-N 3.31Å; L3-E5 VanDerWaalsContact C-N 3.33Å; L3-E5 PolarHBondContact O-N 2.96Å; E5-A8 PolarHBondContact O-N 3Å
6	V	50.6	Low	52.7	Low	70 Å²	70	119 Å²	119	42%	0.424	64%	0.636	S	S	.	*	H	α-helix	trans	-71.5	-39.2	179.4	-177.7	0	0	0	0	110.6	L3 Q4 A8 S9 Y10	L3-V6 PolarHBondContact O-N 3.43Å; Q4-V6 VanDerWaalsContact C-N 3.29Å; V6-A8 VanDerWaalsContact C-N 3.31Å; V6-A8 PolarHBondContact O-N 3.11Å; V6-S9 PolarHBondContact O-N 3.35Å; V6-S9 PolarHBondContact O-OG 3.31Å; V6-Y10 HydrophobicContact CG1-CE2 3.96Å; V6-Y10 VanDerWaalsContact O-CD2 3.27Å; V6-Y10 WeakPolarHBondContact O-CD2 3.19Å
7	E	47.8	Very low	54	Low	150 Å²	150	114.1 Å²	114.1	70%	0.701	62%	0.616	S	S	*	*	H	α-helix	trans	-65.4	-31.9	176.4	-73.9	-174	162	0	0	113.1	S9	E7-S9 VanDerWaalsContact C-N 3.29Å; E7-S9 PolarHBondContact O-N 2.73Å
8	A	45.6	Very low	55.3	Low	69 Å²	69	109.6 Å²	109.6	57%	0.57	59%	0.591	S	S	*	*	H	α-helix	trans	-67.9	-27.3	176.8	0	0	0	0	0	113.2	E5 V6 Y10	E5-A8 PolarHBondContact O-N 3Å; V6-A8 VanDerWaalsContact C-N 3.31Å; V6-A8 PolarHBondContact O-N 3.11Å; A8-Y10 PolarHBondContact O-N 3.02Å
9	S	48.7	Very low	56.8	Low	88 Å²	88	110.3 Å²	110.3	62%	0.615	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-77.4	-14.6	-176	72.3	0	0	0	0	114.9	V6 E7 N11	V6-S9 PolarHBondContact O-N 3.35Å; V6-S9 PolarHBondContact O-OG 3.31Å; E7-S9 VanDerWaalsContact C-N 3.29Å; E7-S9 PolarHBondContact O-N 2.73Å; S9-N11 PolarHBondContact O-N 2.73Å
10	Y	50.2	Low	58.3	Low	160 Å²	160	109.6 Å²	109.6	63%	0.627	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-79.6	-1.7	-178.8	-74.4	-70.8	0	0	0	114.5	V6 A8 E12	V6-Y10 HydrophobicContact CG1-CE2 3.96Å; V6-Y10 VanDerWaalsContact O-CD2 3.27Å; V6-Y10 WeakPolarHBondContact O-CD2 3.19Å; A8-Y10 PolarHBondContact O-N 3.02Å; Y10-E12 VanDerWaalsContact C-N 3.3Å; Y10-E12 PolarHBondContact O-N 2.8Å
11	N	49.8	Very low	59.4	Low	117 Å²	117	108.5 Å²	108.5	63%	0.626	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-74.8	-10.9	-168.3	-95.7	-24.4	0	0	0	115.7	S9 R105	S9-N11 PolarHBondContact O-N 2.73Å; N11-R105 PolarHBondContact O-NH2 3.03Å; N11-R105 PolarHBondContact OD1-NH2 3.41Å
12	E	55.2	Low	61.8	Low	172 Å²	172	101.3 Å²	101.3	80%	0.804	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-131.4	39.7	-172	-139.7	173.1	-163.4	0	0	115.8	Y10 T14	Y10-E12 VanDerWaalsContact C-N 3.3Å; Y10-E12 PolarHBondContact O-N 2.8Å; E12-T14 VanDerWaalsContact C-N 3.31Å; E12-T14 PolarHBondContact O-N 2.95Å; E12-T14 VanDerWaalsContact O-N 3.07Å
13	I	62.3	Low	64.2	Low	80 Å²	80	101.6 Å²	101.6	41%	0.41	54%	0.541	S	S	.	.			trans	-72.6	100.1	150.2	-56.8	-179.4	0	0	0	106.5	A17 L18	I13-A17 HydrophobicContact CG2-CB 3.84Å; I13-L18 HydrophobicContact CG2-CB 3.9Å
14	T	74.5	Confident	66	Low	67 Å²	67	98.3 Å²	98.3	41%	0.411	52%	0.523	S	S	.	.			trans	-56.2	148.2	172.5	56.6	0	0	0	0	110	E12 S16 A17 L18	E12-T14 VanDerWaalsContact C-N 3.31Å; E12-T14 PolarHBondContact O-N 2.95Å; E12-T14 VanDerWaalsContact O-N 3.07Å; T14-S16 PolarHBondContact O-N 2.72Å; T14-S16 VanDerWaalsContact O-N 3.07Å; T14-S16 PolarHBondContact OG1-OG 2.82Å; T14-A17 PolarHBondContact O-N 2.83Å; T14-A17 WeakPolarHBondContact OG1-CB 3.19Å; T14-A17 PolarHBondContact OG1-N 2.97Å; T14-L18 PolarHBondContact O-N 3.14Å
15	S	74	Confident	67.8	Low	105 Å²	105	94.6 Å²	94.6	73%	0.734	51%	0.512	S	S	*	.	H	α-helix	trans	-52.7	-32.6	177	179.3	0	0	0	0	112.2	L18 K19	S15-L18 PolarHBondContact O-N 2.76Å; S15-K19 WeakPolarHBondContact O-CB 3.38Å; S15-K19 PolarHBondContact O-N 2.8Å
16	S	74.7	Confident	69.7	Low	83 Å²	83	92 Å²	92	58%	0.58	50%	0.502	S	S	*	.	H	α-helix	trans	-66.7	-46.1	173.9	53.9	0	0	0	0	113.3	T14 L18 K19 L20	T14-S16 PolarHBondContact O-N 2.72Å; T14-S16 VanDerWaalsContact O-N 3.07Å; T14-S16 PolarHBondContact OG1-OG 2.82Å; S16-L18 VanDerWaalsContact C-N 3.26Å; S16-L18 PolarHBondContact O-N 2.76Å; S16-K19 PolarHBondContact O-N 3.15Å; S16-L20 WeakPolarHBondContact O-CB 3.36Å; S16-L20 PolarHBondContact O-N 2.65Å
17	A	74.9	Confident	71.1	Confident	35 Å²	35	93 Å²	93	29%	0.289	50%	0.504	S	S	.	.	H	α-helix	trans	-61.2	-39.2	176	0	0	0	0	0	111.2	I13 T14 L20 I21	I13-A17 HydrophobicContact CG2-CB 3.84Å; T14-A17 PolarHBondContact O-N 2.83Å; T14-A17 WeakPolarHBondContact OG1-CB 3.19Å; T14-A17 PolarHBondContact OG1-N 2.97Å; A17-L20 WeakPolarHBondContact O-CB 3.37Å; A17-L20 PolarHBondContact O-N 2.78Å; A17-I21 VanDerWaalsContact O-CG1 3.28Å; A17-I21 WeakPolarHBondContact O-CG1 3.42Å; A17-I21 PolarHBondContact O-N 2.72Å
18	L	77.8	Confident	72.5	Confident	34 Å²	34	92 Å²	92	18%	0.178	50%	0.497	C	S	.	.	H	α-helix	trans	-68.3	-42.6	177.7	-169.5	54.6	0	0	0	112.8	I13 T14 S15 S16 L20 I21 M22 L102	I13-L18 HydrophobicContact CG2-CB 3.9Å; T14-L18 PolarHBondContact O-N 3.14Å; S15-L18 PolarHBondContact O-N 2.76Å; S16-L18 VanDerWaalsContact C-N 3.26Å; S16-L18 PolarHBondContact O-N 2.76Å; L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 PolarHBondContact O-N 2.76Å; L18-I21 PolarHBondContact O-N 3.3Å; L18-M22 WeakPolarHBondContact O-CG 3.41Å; L18-M22 PolarHBondContact O-N 2.78Å; L18-L102 HydrophobicContact CD1-CD1 4.2Å; L18-L102 HydrophobicContact CD2-CD1 3.8Å; L18-L102 HydrophobicContact CD2-CD2 3.13Å; L18-L102 HydrophobicContact CD2-CG 3.52Å; L18-L102 HydrophobicContact CG-CD1 4.03Å; L18-L102 HydrophobicContact CG-CD2 4.18Å; L18-L102 HydrophobicContact CG-CG 4.29Å
19	K	84.7	Confident	74.1	Confident	122 Å²	122	93.9 Å²	93.9	53%	0.53	50%	0.498	S	S	.	.	H	α-helix	trans	-58.1	-43.3	171.9	-174.9	178.6	177.1	-176.8	0	111.3	S15 S16 M22 E23	S15-K19 WeakPolarHBondContact O-CB 3.38Å; S15-K19 PolarHBondContact O-N 2.8Å; S16-K19 PolarHBondContact O-N 3.15Å; K19-M22 PolarHBondContact O-N 2.66Å; K19-E23 VanDerWaalsContact CE-OE1 3.25Å; K19-E23 WeakPolarHBondContact CE-OE1 3.43Å; K19-E23 PolarHBondContact O-N 3.41Å
20	L	85.3	Confident	75.5	Confident	97 Å²	97	95.7 Å²	95.7	51%	0.508	50%	0.495	S	S	.	.	H	α-helix	trans	-61.9	-45.1	176.7	-177.8	65.1	0	0	0	111.9	S16 A17 L18 M22 E23 I24	S16-L20 WeakPolarHBondContact O-CB 3.36Å; S16-L20 PolarHBondContact O-N 2.65Å; A17-L20 WeakPolarHBondContact O-CB 3.37Å; A17-L20 PolarHBondContact O-N 2.78Å; L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 PolarHBondContact O-N 2.76Å; L20-M22 VanDerWaalsContact C-N 3.29Å; L20-M22 PolarHBondContact O-N 2.87Å; L20-E23 PolarHBondContact O-N 2.73Å; L20-I24 HydrophobicContact CD1-CD1 4.13Å; L20-I24 HydrophobicContact CD1-CG1 4.37Å; L20-I24 HydrophobicContact CG-CD1 3.92Å; L20-I24 VanDerWaalsContact O-CG1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.42Å; L20-I24 PolarHBondContact O-N 2.66Å
21	I	82.7	Confident	76.6	Confident	86 Å²	86	93.2 Å²	93.2	44%	0.441	49%	0.492	S	S	.	.	H	α-helix	trans	-58.7	-42.7	175.6	-69.3	163.4	0	0	0	110.7	A17 L18 S25	A17-I21 VanDerWaalsContact O-CG1 3.28Å; A17-I21 WeakPolarHBondContact O-CG1 3.42Å; A17-I21 PolarHBondContact O-N 2.72Å; L18-I21 PolarHBondContact O-N 3.3Å; I21-S25 WeakPolarHBondContact O-CB 3.49Å; I21-S25 PolarHBondContact O-N 2.77Å; I21-S25 PolarHBondContact O-OG 2.76Å
22	M	87	Confident	77.7	Confident	87 Å²	87	90.8 Å²	90.8	43%	0.429	48%	0.476	S	S	.	.	H	α-helix	trans	-65.1	-46.1	176.7	-70.7	-170.3	-66.9	0	0	112.1	L18 K19 L20 I24 S25 I26 L102	L18-M22 WeakPolarHBondContact O-CG 3.41Å; L18-M22 PolarHBondContact O-N 2.78Å; K19-M22 PolarHBondContact O-N 2.66Å; L20-M22 VanDerWaalsContact C-N 3.29Å; L20-M22 PolarHBondContact O-N 2.87Å; M22-I24 PolarHBondContact O-N 2.87Å; M22-S25 WeakPolarHBondContact O-CB 3.5Å; M22-S25 PolarHBondContact O-N 3.49Å; M22-I26 VanDerWaalsContact O-CG1 3.3Å; M22-I26 WeakPolarHBondContact O-CG1 3.36Å; M22-I26 PolarHBondContact O-N 3.03Å; M22-L102 HydrophobicContact SD-CD1 4.15Å
23	E	85.6	Confident	78.5	Confident	93 Å²	93	88.2 Å²	88.2	44%	0.435	46%	0.464	S	S	.	.	H	α-helix	trans	-61.9	-44.2	178.3	-77.3	-178.6	-173.3	0	0	112.3	K19 L20 S25 I26 N27	K19-E23 VanDerWaalsContact CE-OE1 3.25Å; K19-E23 WeakPolarHBondContact CE-OE1 3.43Å; K19-E23 PolarHBondContact O-N 3.41Å; L20-E23 PolarHBondContact O-N 2.73Å; E23-S25 VanDerWaalsContact C-N 3.29Å; E23-S25 PolarHBondContact O-N 3.17Å; E23-I26 PolarHBondContact O-N 2.95Å; E23-N27 WeakPolarHBondContact O-CB 3.16Å; E23-N27 VanDerWaalsContact O-CG 3.3Å; E23-N27 PolarHBondContact O-N 3.37Å; E23-N27 PolarHBondContact O-ND2 3.29Å
24	I	83.3	Confident	78.7	Confident	75 Å²	75	88.1 Å²	88.1	39%	0.385	47%	0.471	S	S	.	.	H	α-helix	trans	-60.4	-42.7	175.1	-68	168.3	0	0	0	110.3	L20 M22 N27 K28	L20-I24 HydrophobicContact CD1-CD1 4.13Å; L20-I24 HydrophobicContact CD1-CG1 4.37Å; L20-I24 HydrophobicContact CG-CD1 3.92Å; L20-I24 VanDerWaalsContact O-CG1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.42Å; L20-I24 PolarHBondContact O-N 2.66Å; M22-I24 PolarHBondContact O-N 2.87Å; I24-N27 PolarHBondContact O-N 2.9Å; I24-K28 WeakPolarHBondContact O-CB 3.31Å; I24-K28 WeakPolarHBondContact O-CG 3.44Å; I24-K28 PolarHBondContact O-N 3.16Å
25	S	85.8	Confident	78.4	Confident	56 Å²	56	89.9 Å²	89.9	39%	0.392	48%	0.481	S	S	.	.	H	α-helix	trans	-64.9	-43.9	179.4	-59.7	0	0	0	0	111.7	I21 M22 E23 K28 L29	I21-S25 WeakPolarHBondContact O-CB 3.49Å; I21-S25 PolarHBondContact O-N 2.77Å; I21-S25 PolarHBondContact O-OG 2.76Å; M22-S25 WeakPolarHBondContact O-CB 3.5Å; M22-S25 PolarHBondContact O-N 3.49Å; E23-S25 VanDerWaalsContact C-N 3.29Å; E23-S25 PolarHBondContact O-N 3.17Å; S25-K28 PolarHBondContact O-N 2.94Å; S25-L29 WeakPolarHBondContact O-CB 3.2Å; S25-L29 WeakPolarHBondContact O-CG 3.45Å; S25-L29 PolarHBondContact O-N 3.15Å
26	I	83.8	Confident	77.5	Confident	87 Å²	87	89.4 Å²	89.4	45%	0.446	47%	0.47	S	S	.	.	H	α-helix	trans	-63.5	-44.5	176	-68.7	165.1	0	0	0	110.7	M22 E23 K28 L29 K30	M22-I26 VanDerWaalsContact O-CG1 3.3Å; M22-I26 WeakPolarHBondContact O-CG1 3.36Å; M22-I26 PolarHBondContact O-N 3.03Å; E23-I26 PolarHBondContact O-N 2.95Å; I26-K28 VanDerWaalsContact C-N 3.35Å; I26-K28 PolarHBondContact O-N 2.95Å; I26-L29 PolarHBondContact O-N 2.85Å; I26-K30 HydrophobicContact CG2-CD 4.28Å; I26-K30 HydrophobicContact CG2-CG 4.45Å; I26-K30 WeakPolarHBondContact O-CG 3.44Å; I26-K30 PolarHBondContact O-N 3.41Å
27	N	79.5	Confident	76.6	Confident	89 Å²	89	91.4 Å²	91.4	48%	0.476	47%	0.47	S	S	.	.	H	α-helix	trans	-64.5	-39.2	178.5	-73.6	-21	0	0	0	111.9	E23 I24 K30 N31	E23-N27 WeakPolarHBondContact O-CB 3.16Å; E23-N27 VanDerWaalsContact O-CG 3.3Å; E23-N27 PolarHBondContact O-N 3.37Å; E23-N27 PolarHBondContact O-ND2 3.29Å; I24-N27 PolarHBondContact O-N 2.9Å; N27-K30 PolarHBondContact O-N 2.88Å; N27-N31 WeakPolarHBondContact O-CB 3.34Å; N27-N31 PolarHBondContact O-N 3.02Å
28	K	77.1	Confident	75.2	Confident	129 Å²	129	94.5 Å²	94.5	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-63.1	-42	171.9	-78	-170.5	176.2	-170.3	0	111.9	I24 S25 I26 N31 F32	I24-K28 WeakPolarHBondContact O-CB 3.31Å; I24-K28 WeakPolarHBondContact O-CG 3.44Å; I24-K28 PolarHBondContact O-N 3.16Å; S25-K28 PolarHBondContact O-N 2.94Å; I26-K28 VanDerWaalsContact C-N 3.35Å; I26-K28 PolarHBondContact O-N 2.95Å; K28-N31 PolarHBondContact O-N 2.97Å; K28-F32 WeakPolarHBondContact O-CB 3.37Å; K28-F32 PolarHBondContact O-N 2.95Å
29	L	79.4	Confident	73.9	Confident	109 Å²	109	99.7 Å²	99.7	57%	0.571	52%	0.52	S	S	*	.	H	α-helix	trans	-65.5	-38.5	176	-73.9	168.3	0	0	0	112.3	S25 I26 F32 Q33	S25-L29 WeakPolarHBondContact O-CB 3.2Å; S25-L29 WeakPolarHBondContact O-CG 3.45Å; S25-L29 PolarHBondContact O-N 3.15Å; I26-L29 PolarHBondContact O-N 2.85Å; L29-F32 CarbonylContact O-C 3.59Å; L29-F32 WeakPolarHBondContact O-CB 3.49Å; L29-F32 PolarHBondContact O-N 3.48Å; L29-Q33 PolarHBondContact O-N 2.85Å
30	K	78.5	Confident	71.9	Confident	127 Å²	127	99.9 Å²	99.9	55%	0.552	53%	0.532	S	S	*	.	H	α-helix	trans	-64.9	-44.3	174.1	-75.7	-178.9	176.4	-179.4	0	112.1	I26 N27 F32 Q33 S34	I26-K30 HydrophobicContact CG2-CD 4.28Å; I26-K30 HydrophobicContact CG2-CG 4.45Å; I26-K30 WeakPolarHBondContact O-CG 3.44Å; I26-K30 PolarHBondContact O-N 3.41Å; N27-K30 PolarHBondContact O-N 2.88Å; K30-F32 PolarHBondContact O-N 2.9Å; K30-Q33 PolarHBondContact O-N 3.05Å; K30-Q33 VanDerWaalsContact O-N 3.13Å; K30-S34 PolarHBondContact O-N 3.27Å; K30-S34 PolarHBondContact O-OG 3.38Å
31	N	73.5	Confident	69.7	Low	108 Å²	108	97.4 Å²	97.4	58%	0.578	53%	0.53	S	S	*	.	H	α-helix	trans	-63.6	-31.8	173.5	-71.6	-12.2	0	0	0	112	N27 K28 S34 T35	N27-N31 WeakPolarHBondContact O-CB 3.34Å; N27-N31 PolarHBondContact O-N 3.02Å; K28-N31 PolarHBondContact O-N 2.97Å; N31-S34 WeakPolarHBondContact CA-OG 3.44Å; N31-S34 PolarHBondContact O-OG 3.36Å; N31-T35 WeakPolarHBondContact O-CG2 3.47Å; N31-T35 PolarHBondContact O-N 3.21Å; N31-T35 PolarHBondContact O-OG1 3.31Å
32	F	71.8	Confident	67.7	Low	65 Å²	65	98.6 Å²	98.6	29%	0.285	54%	0.543	S	S	.	.	H	α-helix	trans	-70	-39.6	172.5	-172.1	-102	0	0	0	111.8	K28 L29 K30 T35 L36 I88	K28-F32 WeakPolarHBondContact O-CB 3.37Å; K28-F32 PolarHBondContact O-N 2.95Å; L29-F32 CarbonylContact O-C 3.59Å; L29-F32 WeakPolarHBondContact O-CB 3.49Å; L29-F32 PolarHBondContact O-N 3.48Å; K30-F32 PolarHBondContact O-N 2.9Å; F32-T35 WeakPolarHBondContact CA-OG1 3.32Å; F32-T35 PolarHBondContact O-N 2.9Å; F32-T35 PolarHBondContact O-OG1 2.82Å; F32-L36 HydrophobicContact CD1-CD1 3.6Å; F32-L36 HydrophobicContact CD1-CG 4.14Å; F32-L36 HydrophobicContact CE1-CD1 3.22Å; F32-L36 HydrophobicContact CE1-CG 3.9Å; F32-L36 HydrophobicContact CZ-CD1 3.96Å; F32-L36 HydrophobicContact CZ-CG 4.27Å; F32-L36 WeakPolarHBondContact O-CB 3.4Å; F32-L36 WeakPolarHBondContact O-CG 3.37Å; F32-L36 PolarHBondContact O-N 3.02Å; F32-I88 HydrophobicContact CE1-CD1 4.34Å; F32-I88 HydrophobicContact CE2-CD1 4.37Å; F32-I88 HydrophobicContact CZ-CD1 3.69Å
33	Q	73.3	Confident	65.3	Low	119 Å²	119	102 Å²	102	56%	0.556	56%	0.562	S	S	*	*	H	α-helix	trans	-66	-39.7	175.2	-170.6	179.6	7	0	0	111.9	L29 K30 T35 L36 Q37	L29-Q33 PolarHBondContact O-N 2.85Å; K30-Q33 PolarHBondContact O-N 3.05Å; K30-Q33 VanDerWaalsContact O-N 3.13Å; Q33-T35 VanDerWaalsContact C-N 3.28Å; Q33-T35 PolarHBondContact O-N 3.13Å; Q33-L36 CarbonylContact O-C 3.58Å; Q33-L36 PolarHBondContact O-N 3.48Å; Q33-L36 VanDerWaalsContact O-N 3.15Å; Q33-Q37 PolarHBondContact O-N 3.35Å
34	S	65.7	Low	63.1	Low	78 Å²	78	104.4 Å²	104.4	55%	0.545	58%	0.576	S	S	.	*	H	α-helix	trans	-67.2	-28.2	176.6	62.9	0	0	0	0	113.2	K30 N31	K30-S34 PolarHBondContact O-N 3.27Å; K30-S34 PolarHBondContact O-OG 3.38Å; N31-S34 WeakPolarHBondContact CA-OG 3.44Å; N31-S34 PolarHBondContact O-OG 3.36Å
35	T	68.1	Low	60.9	Low	103 Å²	103	110.6 Å²	110.6	63%	0.632	59%	0.594	S	S	*	*	H	α-helix	trans	-82.4	-20	172	50.6	0	0	0	0	113.4	N31 F32 Q33	N31-T35 WeakPolarHBondContact O-CG2 3.47Å; N31-T35 PolarHBondContact O-N 3.21Å; N31-T35 PolarHBondContact O-OG1 3.31Å; F32-T35 WeakPolarHBondContact CA-OG1 3.32Å; F32-T35 PolarHBondContact O-N 2.9Å; F32-T35 PolarHBondContact O-OG1 2.82Å; Q33-T35 VanDerWaalsContact C-N 3.28Å; Q33-T35 PolarHBondContact O-N 3.13Å
36	L	55.8	Low	58.5	Low	95 Å²	95	113.9 Å²	113.9	50%	0.497	62%	0.617	S	S	.	*	H	α-helix	trans	-88.7	-23.2	174	-79.6	-176.2	0	0	0	113.8	F32 Q33 P38	F32-L36 HydrophobicContact CD1-CD1 3.6Å; F32-L36 HydrophobicContact CD1-CG 4.14Å; F32-L36 HydrophobicContact CE1-CD1 3.22Å; F32-L36 HydrophobicContact CE1-CG 3.9Å; F32-L36 HydrophobicContact CZ-CD1 3.96Å; F32-L36 HydrophobicContact CZ-CG 4.27Å; F32-L36 WeakPolarHBondContact O-CB 3.4Å; F32-L36 WeakPolarHBondContact O-CG 3.37Å; F32-L36 PolarHBondContact O-N 3.02Å; Q33-L36 CarbonylContact O-C 3.58Å; Q33-L36 PolarHBondContact O-N 3.48Å; Q33-L36 VanDerWaalsContact O-N 3.15Å; L36-P38 WeakPolarHBondContact O-CD 3.45Å
37	Q	54.5	Low	56.1	Low	125 Å²	125	115 Å²	115	58%	0.584	63%	0.628	S	S	*	*	S	Bend	trans	-62.2	117.1	170.1	-75.5	-152.9	-18.4	0	0	106.7	Q33 T39	Q33-Q37 PolarHBondContact O-N 3.35Å; Q37-T39 PolarHBondContact O-N 3.33Å; Q37-T39 VanDerWaalsContact O-N 3.15Å
38	P	46.5	Very low	53.9	Low	100 Å²	100	117.3 Å²	117.3	65%	0.649	64%	0.636	S	S	*	*			trans	-53.5	131.1	167.3	24.2	-30.5	0	0	0	104.8	L36 T40	L36-P38 WeakPolarHBondContact O-CD 3.45Å; P38-T40 PolarHBondContact O-N 2.86Å
39	T	49.7	Very low	51.9	Low	143 Å²	143	119.1 Å²	119.1	88%	0.877	65%	0.652	S	S	*	*			trans	-58.7	91.4	167.6	11.3	0	0	0	0	105.5	Q37 G41	Q37-T39 PolarHBondContact O-N 3.33Å; Q37-T39 VanDerWaalsContact O-N 3.15Å; T39-G41 PolarHBondContact O-N 3.08Å
40	T	43.9	Very low	49.5	Very low	127 Å²	127	120.7 Å²	120.7	78%	0.779	65%	0.654	S	S	*	*			trans	-69.8	55.5	159.7	29.6	0	0	0	0	107	P38	P38-T40 PolarHBondContact O-N 2.86Å
41	G	37.9	Very low	47.5	Very low	44 Å²	44	121.7 Å²	121.7	45%	0.454	67%	0.665	S	S	.	*			trans	-63	136.4	146.5	0	0	0	0	0	105.8	T39 I43	T39-G41 PolarHBondContact O-N 3.08Å; G41-I43 PolarHBondContact O-N 2.88Å; G41-I43 VanDerWaalsContact O-N 3.14Å
42	P	40.2	Very low	45.5	Very low	112 Å²	112	123.6 Å²	123.6	73%	0.727	68%	0.676	S	S	*	*			trans	-55	129.2	177.6	22	-29.8	0	0	0	107.7	I44	P42-I44 HydrophobicContact CB-CG1 4.38Å; P42-I44 HydrophobicContact CG-CG1 4.23Å; P42-I44 PolarHBondContact O-N 3.34Å
43	I	38.4	Very low	43.8	Very low	159 Å²	159	128.3 Å²	128.3	82%	0.815	70%	0.703	S	S	*	*			trans	-62.7	86	162.4	-59.9	170.8	0	0	0	104.5	G41 R45	G41-I43 PolarHBondContact O-N 2.88Å; G41-I43 VanDerWaalsContact O-N 3.14Å; I43-R45 HydrophobicContact CG2-CG 4.46Å; I43-R45 PolarHBondContact O-N 3.47Å
44	I	37.8	Very low	42	Very low	142 Å²	142	129.6 Å²	129.6	73%	0.728	71%	0.713	S	S	*	*			trans	-67.5	91.3	165.8	-59.1	175.2	0	0	0	103.4	P42 S46	P42-I44 HydrophobicContact CB-CG1 4.38Å; P42-I44 HydrophobicContact CG-CG1 4.23Å; P42-I44 PolarHBondContact O-N 3.34Å; I44-S46 PolarHBondContact O-N 3.49Å
45	R	37.8	Very low	40.5	Very low	206 Å²	206	132.7 Å²	132.7	78%	0.777	72%	0.72	S	S	*	*			trans	-49.2	115	157.5	-73.7	-177.6	176.2	177.1	-1	104.9	I43 T47	I43-R45 HydrophobicContact CG2-CG 4.46Å; I43-R45 PolarHBondContact O-N 3.47Å; R45-T47 PolarHBondContact O-N 3.35Å; R45-T47 PolarHBondContact O-OG1 3.06Å; R45-T47 VanDerWaalsContact O-OG1 3.11Å
46	S	35.5	Very low	38.6	Very low	125 Å²	125	135 Å²	135	87%	0.874	73%	0.729	S	S	*	*			trans	-58.8	88.6	170.1	173.2	0	0	0	0	107.6	I44	I44-S46 PolarHBondContact O-N 3.49Å
47	T	33	Very low	37.4	Very low	109 Å²	109	138 Å²	138	67%	0.669	75%	0.746	S	S	*	*			trans	-138.4	117.8	171.1	14.9	0	0	0	0	104.7	R45	R45-T47 PolarHBondContact O-N 3.35Å; R45-T47 PolarHBondContact O-OG1 3.06Å; R45-T47 VanDerWaalsContact O-OG1 3.11Å
48	E	33	Very low	36.4	Very low	139 Å²	139	137 Å²	137	65%	0.65	75%	0.752	S	S	*	*			trans	70.5	82.9	172.1	-61.6	-171	139.9	0	0	116.9	K50	E48-K50 HydrophobicContact CB-CD 4.45Å; E48-K50 HydrophobicContact CB-CG 4.24Å; E48-K50 VanDerWaalsContact CD-CE 3.47Å; E48-K50 PolarHBondContact O-N 3.04Å; E48-K50 WeakPolarHBondContact OE1-CE 3.23Å; E48-K50 IonicContact OE1-NZ 2.96Å; E48-K50 PolarHBondContact OE1-NZ 2.82Å; E48-K50 WeakPolarHBondContact OE2-CE 3.32Å; E48-K50 IonicContact OE2-NZ 2.73Å; E48-K50 PolarHBondContact OE2-NZ 3.39Å
49	N	34.8	Very low	35.7	Very low	167 Å²	167	140.1 Å²	140.1	89%	0.893	76%	0.763	S	S	*	*			trans	-73.1	77.1	144	-150.9	9.8	0	0	0	108	N51	N49-N51 PolarHBondContact O-N 2.95Å
50	K	30.8	Very low	35	Very low	142 Å²	142	143.9 Å²	143.9	62%	0.617	76%	0.762	S	S	*	*			trans	-75.8	98.9	160.2	-84.5	169.7	174.3	150.6	0	106.7	E48	E48-K50 HydrophobicContact CB-CD 4.45Å; E48-K50 HydrophobicContact CB-CG 4.24Å; E48-K50 VanDerWaalsContact CD-CE 3.47Å; E48-K50 PolarHBondContact O-N 3.04Å; E48-K50 WeakPolarHBondContact OE1-CE 3.23Å; E48-K50 IonicContact OE1-NZ 2.96Å; E48-K50 PolarHBondContact OE1-NZ 2.82Å; E48-K50 WeakPolarHBondContact OE2-CE 3.32Å; E48-K50 IonicContact OE2-NZ 2.73Å; E48-K50 PolarHBondContact OE2-NZ 3.39Å
51	N	35.9	Very low	34.6	Very low	147 Å²	147	143 Å²	143	79%	0.786	76%	0.761	S	S	*	*			trans	-151.6	122.1	142.2	-91.4	-32.6	0	0	0	109.6	N49 L53	N49-N51 PolarHBondContact O-N 2.95Å; N51-L53 PolarHBondContact O-N 2.71Å
52	N	31.2	Very low	34.6	Very low	148 Å²	148	145.6 Å²	145.6	79%	0.791	77%	0.768	S	S	*	*			trans	-37.3	125.7	169.3	-62.4	-32.1	0	0	0	112.5
53	L	36.7	Very low	34.1	Very low	165 Å²	165	145.2 Å²	145.2	86%	0.864	76%	0.764	S	S	*	*			trans	-152.2	90.2	132.9	-125.9	111.9	0	0	0	107.9	N51	N51-L53 PolarHBondContact O-N 2.71Å
54	L	35.9	Very low	34.1	Very low	146 Å²	146	147.5 Å²	147.5	76%	0.764	77%	0.768	S	S	*	*			trans	-63.9	134.6	158.5	-96.9	142.2	0	0	0	108.1
55	M	33.2	Very low	33.9	Very low	142 Å²	142	148.5 Å²	148.5	70%	0.7	77%	0.77	S	S	*	*			trans	72.5	132.5	171.9	-42.6	-53.7	-172.9	0	0	113.9
56	D	28.8	Very low	33.7	Very low	151 Å²	151	144 Å²	144	81%	0.807	77%	0.77	S	S	*	*			cis	-161.1	152.7	27.4	-142.8	-24.3	0	0	0	110.5
57	N	29.6	Very low	33.9	Very low	159 Å²	159	143.1 Å²	143.1	85%	0.85	76%	0.764	S	S	*	*			trans	-74.3	127.7	172.1	-99.9	-32.9	0	0	0	110
58	S	34	Very low	34.1	Very low	103 Å²	103	146.3 Å²	146.3	72%	0.72	77%	0.771	S	S	*	*			trans	-177.5	113.2	138	-174.1	0	0	0	0	111.9	R60	S58-R60 PolarHBondContact O-N 3.07Å
59	N	31.6	Very low	34.4	Very low	166 Å²	166	148 Å²	148	89%	0.888	78%	0.778	S	S	*	*			trans	10.9	97.4	149	-59.8	-26.9	0	0	0	117.7
60	R	35.4	Very low	34.6	Very low	222 Å²	222	146.8 Å²	146.8	84%	0.838	77%	0.77	S	S	*	*			trans	-136.6	99.4	153.8	-159.3	173.3	-171.7	174.9	2	111.1	S58 T62	S58-R60 PolarHBondContact O-N 3.07Å; R60-T62 PolarHBondContact O-N 2.89Å
61	S	34.8	Very low	35.1	Very low	109 Å²	109	144.7 Å²	144.7	76%	0.762	77%	0.774	S	S	*	*			trans	-56.4	115.4	160.5	165.2	0	0	0	0	109.9
62	T	37.5	Very low	35.5	Very low	99 Å²	99	142.2 Å²	142.2	61%	0.607	77%	0.768	S	S	*	*			trans	-137.6	91.3	153.3	54.5	0	0	0	0	108.6	R60 F64	R60-T62 PolarHBondContact O-N 2.89Å; T62-F64 PolarHBondContact O-N 3.38Å
63	T	31.1	Very low	36	Very low	104 Å²	104	143.8 Å²	143.8	64%	0.638	77%	0.768	S	S	*	*			trans	-9.6	109	140.6	-6.8	0	0	0	0	113.7	E65	T63-E65 HydrophobicContact CG2-CG 4.22Å
64	F	37.2	Very low	36.3	Very low	207 Å²	207	144.8 Å²	144.8	91%	0.908	77%	0.765	S	S	*	*			trans	-125	91.6	147.6	-96.1	-82.5	0	0	0	106.9	T62	T62-F64 PolarHBondContact O-N 3.38Å
65	E	35.3	Very low	36.8	Very low	162 Å²	162	143.3 Å²	143.3	76%	0.757	76%	0.762	S	S	*	*			trans	-64.5	146.2	171.2	-82.2	175.3	142.3	0	0	111.7	T63	T63-E65 HydrophobicContact CG2-CG 4.22Å
66	S	33.4	Very low	37.4	Very low	111 Å²	111	141.1 Å²	141.1	78%	0.776	76%	0.761	S	S	*	*			trans	66.9	70.3	159.7	75.6	0	0	0	0	116.9	Q68	S66-Q68 VanDerWaalsContact C-N 3.27Å; S66-Q68 PolarHBondContact O-N 3.24Å
67	S	38.2	Very low	38.3	Very low	107 Å²	107	140.3 Å²	140.3	75%	0.748	76%	0.757	S	S	*	*			trans	-62.3	99.4	145.2	44.6	0	0	0	0	108.1	H69	S67-H69 VanDerWaalsContact C-N 3.27Å; S67-H69 PolarHBondContact O-N 3.43Å
68	Q	37.4	Very low	39.1	Very low	177 Å²	177	137.9 Å²	137.9	83%	0.827	75%	0.752	S	S	*	*			trans	-52.7	91.2	168	-165.1	173.3	12.3	0	0	108.2	S66 I70	S66-Q68 VanDerWaalsContact C-N 3.27Å; S66-Q68 PolarHBondContact O-N 3.24Å; Q68-I70 PolarHBondContact O-N 2.83Å
69	H	39.1	Very low	39.6	Very low	173 Å²	173	139 Å²	139	80%	0.801	74%	0.744	S	S	*	*			trans	-72.6	88.6	178.4	-125	-73.8	0	0	0	106.9	S67 S71	S67-H69 VanDerWaalsContact C-N 3.27Å; S67-H69 PolarHBondContact O-N 3.43Å; H69-S71 PolarHBondContact O-N 3.13Å
70	I	40.3	Very low	40.3	Very low	142 Å²	142	133 Å²	133	73%	0.728	72%	0.715	S	S	*	*			trans	-47	113.3	164.3	-62.9	166.2	0	0	0	105.2	Q68 S72	Q68-I70 PolarHBondContact O-N 2.83Å; I70-S72 VanDerWaalsContact C-N 3.27Å; I70-S72 PolarHBondContact O-N 2.95Å
71	S	40.2	Very low	41	Very low	99 Å²	99	127.4 Å²	127.4	69%	0.692	71%	0.708	S	S	*	*			trans	-54.6	98.4	172.1	156	0	0	0	0	106.7	H69 K73	H69-S71 PolarHBondContact O-N 3.13Å; S71-K73 PolarHBondContact O-N 2.82Å
72	S	44.6	Very low	42.1	Very low	94 Å²	94	124 Å²	124	66%	0.657	68%	0.684	S	S	*	*			trans	-70.6	76.5	167	49.7	0	0	0	0	106	I70 K74	I70-S72 VanDerWaalsContact C-N 3.27Å; I70-S72 PolarHBondContact O-N 2.95Å; S72-K74 PolarHBondContact O-N 3.37Å
73	K	41.9	Very low	43.3	Very low	182 Å²	182	121 Å²	121	79%	0.791	66%	0.664	S	S	*	*			trans	-62.4	91.6	164.8	-152.8	174.1	-172.9	179.5	0	103.5	S71 T75	S71-K73 PolarHBondContact O-N 2.82Å; K73-T75 PolarHBondContact O-N 2.97Å
74	K	41.9	Very low	44.9	Very low	186 Å²	186	121.4 Å²	121.4	81%	0.809	65%	0.654	S	S	*	*			trans	-55.8	96.1	171.3	-72.5	177.5	179.5	176.7	0	104	S72 S76	S72-K74 PolarHBondContact O-N 3.37Å; K74-S76 PolarHBondContact O-N 3.17Å
75	T	47	Very low	46.6	Very low	114 Å²	114	117 Å²	117	70%	0.699	64%	0.64	S	S	*	*			trans	-62.8	91.1	157.4	53.8	0	0	0	0	102.6	K73 N77	K73-T75 PolarHBondContact O-N 2.97Å; T75-N77 VanDerWaalsContact C-N 3.33Å; T75-N77 PolarHBondContact O-N 3.34Å
76	S	46.1	Very low	48.5	Very low	96 Å²	96	116 Å²	116	67%	0.671	63%	0.63	S	S	*	*			trans	-47.8	111.5	165.7	45.4	0	0	0	0	104.1	K74 S78	K74-S76 PolarHBondContact O-N 3.17Å; S76-S78 PolarHBondContact O-N 3.24Å
77	N	48.1	Very low	50.2	Low	135 Å²	135	115.7 Å²	115.7	72%	0.722	61%	0.612	S	S	*	*			trans	-64.5	77.5	172.5	-79.9	-19.3	0	0	0	105.8	T75 F79	T75-N77 VanDerWaalsContact C-N 3.33Å; T75-N77 PolarHBondContact O-N 3.34Å; N77-F79 PolarHBondContact O-N 3.34Å
78	S	45.6	Very low	52	Low	108 Å²	108	113.3 Å²	113.3	76%	0.755	59%	0.59	S	S	*	*			trans	-74.7	47.8	167.5	62.6	0	0	0	0	108	S76 S80	S76-S78 PolarHBondContact O-N 3.24Å; S78-S80 PolarHBondContact O-N 3.05Å
79	F	45.9	Very low	53.9	Low	125 Å²	125	108.7 Å²	108.7	55%	0.548	57%	0.569	S	S	.	*			trans	-83.8	94.3	161.4	-88.7	-79.6	0	0	0	105.2	N77	N77-F79 PolarHBondContact O-N 3.34Å
80	S	45.6	Very low	55.6	Low	41 Å²	41	102.8 Å²	102.8	29%	0.287	55%	0.545	S	S	.	.			trans	-51.7	131.2	172.6	-173.7	0	0	0	0	108.5	S78 S82 N83 R84	S78-S80 PolarHBondContact O-N 3.05Å; S80-S82 WeakPolarHBondContact CB-OG 3.49Å; S80-S82 PolarHBondContact O-N 2.88Å; S80-S82 PolarHBondContact OG-OG 2.87Å; S80-N83 PolarHBondContact O-N 3.17Å; S80-R84 PolarHBondContact O-N 3.29Å
81	P	50.4	Low	57.4	Low	105 Å²	105	101 Å²	101	68%	0.682	54%	0.536	S	S	*	.	H	α-helix	trans	-51.5	-29.2	177.2	-26	32.8	0	0	0	112.6	N83 R84 L85	P81-N83 VanDerWaalsContact C-N 3.35Å; P81-N83 PolarHBondContact O-N 3.49Å; P81-R84 PolarHBondContact O-N 3.15Å; P81-L85 WeakPolarHBondContact O-CB 3.48Å; P81-L85 PolarHBondContact O-N 3.14Å
82	S	58	Low	59.4	Low	37 Å²	37	100.9 Å²	100.9	26%	0.259	53%	0.527	S	S	.	.	H	α-helix	trans	-58	-44.5	175.6	62.7	0	0	0	0	112	S80 Y86	S80-S82 WeakPolarHBondContact CB-OG 3.49Å; S80-S82 PolarHBondContact O-N 2.88Å; S80-S82 PolarHBondContact OG-OG 2.87Å; S82-Y86 WeakPolarHBondContact O-CB 3.48Å; S82-Y86 PolarHBondContact O-N 3.36Å
83	N	62.6	Low	60.9	Low	35 Å²	35	102.9 Å²	102.9	19%	0.187	52%	0.524	C	S	.	.	H	α-helix	trans	-72.3	-37.6	-179	-154.8	-28.8	0	0	0	110.8	S80 P81 R87 D331	S80-N83 PolarHBondContact O-N 3.17Å; P81-N83 VanDerWaalsContact C-N 3.35Å; P81-N83 PolarHBondContact O-N 3.49Å; N83-R87 WeakPolarHBondContact O-CB 3.45Å; N83-R87 WeakPolarHBondContact O-CG 3.44Å; N83-R87 PolarHBondContact O-N 3.06Å; N83-R87 PolarHBondContact OD1-NE 3.4Å; N83-D331 PolarHBondContact ND2-OD2 2.88Å
84	R	63.3	Low	62.6	Low	114 Å²	114	99.5 Å²	99.5	43%	0.43	51%	0.513	S	S	.	.	H	α-helix	trans	-65.1	-47.3	174.3	-174.5	176	177.7	179.3	0.2	111.6	S80 P81 R87 I88	S80-R84 PolarHBondContact O-N 3.29Å; P81-R84 PolarHBondContact O-N 3.15Å; R84-R87 PolarHBondContact O-N 2.91Å; R84-I88 HydrophobicContact CG-CD1 4.12Å; R84-I88 VanDerWaalsContact O-CG1 3.31Å; R84-I88 WeakPolarHBondContact O-CG1 3.4Å; R84-I88 PolarHBondContact O-N 3.36Å
85	L	73	Confident	64.3	Low	115 Å²	115	93.2 Å²	93.2	60%	0.602	50%	0.496	S	S	*	.	H	α-helix	trans	-65.3	-40.6	178.8	-174.3	64.6	0	0	0	111.2	P81 I88 M89	P81-L85 WeakPolarHBondContact O-CB 3.48Å; P81-L85 PolarHBondContact O-N 3.14Å; L85-I88 PolarHBondContact O-N 3.5Å; L85-M89 WeakPolarHBondContact O-CB 3.45Å; L85-M89 PolarHBondContact O-N 3Å
86	Y	75	Confident	65.8	Low	140 Å²	140	95.5 Å²	95.5	55%	0.549	50%	0.496	S	S	.	.	H	α-helix	trans	-58.9	-48.5	174.5	178.8	-103	0	0	0	111.6	S82 I88 M89 V90	S82-Y86 WeakPolarHBondContact O-CB 3.48Å; S82-Y86 PolarHBondContact O-N 3.36Å; Y86-I88 VanDerWaalsContact C-N 3.34Å; Y86-I88 PolarHBondContact O-N 2.88Å; Y86-M89 HydrophobicContact CD2-CE 3.72Å; Y86-M89 HydrophobicContact CE2-CE 3.96Å; Y86-M89 WeakPolarHBondContact O-CB 3.45Å; Y86-M89 PolarHBondContact O-N 2.93Å; Y86-M89 VanDerWaalsContact O-N 3.15Å; Y86-V90 HydrophobicContact CD1-CG2 4.23Å; Y86-V90 HydrophobicContact CD2-CG2 4.47Å; Y86-V90 HydrophobicContact CE1-CG2 3.82Å; Y86-V90 HydrophobicContact CE2-CG2 4.07Å; Y86-V90 WeakPolarHBondContact O-CG2 3.45Å; Y86-V90 PolarHBondContact O-N 2.67Å
87	R	69.6	Low	67.3	Low	105 Å²	105	97.8 Å²	97.8	40%	0.396	49%	0.494	S	S	.	.	H	α-helix	trans	-58.4	-44.5	176.1	-72.4	171.2	-170.9	-143.4	0.3	111.9	N83 R84 M89 V90 I91	N83-R87 WeakPolarHBondContact O-CB 3.45Å; N83-R87 WeakPolarHBondContact O-CG 3.44Å; N83-R87 PolarHBondContact O-N 3.06Å; N83-R87 PolarHBondContact OD1-NE 3.4Å; R84-R87 PolarHBondContact O-N 2.91Å; R87-M89 PolarHBondContact O-N 3.41Å; R87-V90 PolarHBondContact O-N 3.19Å; R87-I91 WeakPolarHBondContact O-CD1 3.43Å; R87-I91 VanDerWaalsContact O-CG1 3.23Å; R87-I91 WeakPolarHBondContact O-CG1 3.45Å; R87-I91 PolarHBondContact O-N 2.93Å
88	I	76.4	Confident	68.5	Low	57 Å²	57	93.2 Å²	93.2	29%	0.292	48%	0.475	S	S	.	.	H	α-helix	trans	-61.9	-44.1	176.4	-67.6	166.1	0	0	0	110.7	F32 R84 L85 Y86 V90 I91 L92	F32-I88 HydrophobicContact CE1-CD1 4.34Å; F32-I88 HydrophobicContact CE2-CD1 4.37Å; F32-I88 HydrophobicContact CZ-CD1 3.69Å; R84-I88 HydrophobicContact CG-CD1 4.12Å; R84-I88 VanDerWaalsContact O-CG1 3.31Å; R84-I88 WeakPolarHBondContact O-CG1 3.4Å; R84-I88 PolarHBondContact O-N 3.36Å; L85-I88 PolarHBondContact O-N 3.5Å; Y86-I88 VanDerWaalsContact C-N 3.34Å; Y86-I88 PolarHBondContact O-N 2.88Å; I88-V90 PolarHBondContact O-N 3.47Å; I88-I91 PolarHBondContact O-N 3.38Å; I88-L92 HydrophobicContact CG2-CD1 3.89Å; I88-L92 HydrophobicContact CG2-CG 4.38Å; I88-L92 WeakPolarHBondContact O-CB 3.34Å; I88-L92 WeakPolarHBondContact O-CG 3.3Å; I88-L92 PolarHBondContact O-N 2.84Å
89	M	77.7	Confident	69.8	Low	80 Å²	80	96.6 Å²	96.6	39%	0.394	47%	0.471	S	S	.	.	H	α-helix	trans	-62.1	-43.6	177.8	-176.9	-169.9	60.9	0	0	111.9	L85 Y86 R87 L92 K93	L85-M89 WeakPolarHBondContact O-CB 3.45Å; L85-M89 PolarHBondContact O-N 3Å; Y86-M89 HydrophobicContact CD2-CE 3.72Å; Y86-M89 HydrophobicContact CE2-CE 3.96Å; Y86-M89 WeakPolarHBondContact O-CB 3.45Å; Y86-M89 PolarHBondContact O-N 2.93Å; Y86-M89 VanDerWaalsContact O-N 3.15Å; R87-M89 PolarHBondContact O-N 3.41Å; M89-L92 PolarHBondContact O-N 3.4Å; M89-K93 WeakPolarHBondContact O-CG 3.28Å; M89-K93 PolarHBondContact O-N 3.24Å
90	V	75.2	Confident	71.1	Confident	48 Å²	48	93.1 Å²	93.1	29%	0.291	46%	0.463	S	S	.	.	H	α-helix	trans	-61.6	-47	177	171.6	0	0	0	0	110.5	Y86 R87 I88 L92 K93 I94	Y86-V90 HydrophobicContact CD1-CG2 4.23Å; Y86-V90 HydrophobicContact CD2-CG2 4.47Å; Y86-V90 HydrophobicContact CE1-CG2 3.82Å; Y86-V90 HydrophobicContact CE2-CG2 4.07Å; Y86-V90 WeakPolarHBondContact O-CG2 3.45Å; Y86-V90 PolarHBondContact O-N 2.67Å; R87-V90 PolarHBondContact O-N 3.19Å; I88-V90 PolarHBondContact O-N 3.47Å; V90-L92 VanDerWaalsContact C-N 3.33Å; V90-L92 PolarHBondContact O-N 3.13Å; V90-K93 PolarHBondContact O-N 3.22Å; V90-I94 HydrophobicContact CG1-CD1 3.89Å; V90-I94 WeakPolarHBondContact O-CG1 3.41Å; V90-I94 PolarHBondContact O-N 2.88Å
91	I	78.3	Confident	72.4	Confident	104 Å²	104	94.7 Å²	94.7	53%	0.533	47%	0.471	S	S	.	.	H	α-helix	trans	-58.5	-45.5	176.4	-67.6	164.7	0	0	0	110.7	R87 I88 I94 A95	R87-I91 WeakPolarHBondContact O-CD1 3.43Å; R87-I91 VanDerWaalsContact O-CG1 3.23Å; R87-I91 WeakPolarHBondContact O-CG1 3.45Å; R87-I91 PolarHBondContact O-N 2.93Å; I88-I91 PolarHBondContact O-N 3.38Å; I91-I94 PolarHBondContact O-N 3.05Å; I91-A95 WeakPolarHBondContact O-CB 3.36Å; I91-A95 PolarHBondContact O-N 3Å
92	L	80.5	Confident	73.3	Confident	98 Å²	98	91.5 Å²	91.5	51%	0.513	45%	0.448	S	S	.	.	H	α-helix	trans	-64.7	-39.1	178.4	-74.7	171.3	0	0	0	112.7	I88 M89 V90 A95 K96	I88-L92 HydrophobicContact CG2-CD1 3.89Å; I88-L92 HydrophobicContact CG2-CG 4.38Å; I88-L92 WeakPolarHBondContact O-CB 3.34Å; I88-L92 WeakPolarHBondContact O-CG 3.3Å; I88-L92 PolarHBondContact O-N 2.84Å; M89-L92 PolarHBondContact O-N 3.4Å; V90-L92 VanDerWaalsContact C-N 3.33Å; V90-L92 PolarHBondContact O-N 3.13Å; L92-A95 PolarHBondContact O-N 3.22Å; L92-K96 WeakPolarHBondContact O-CB 3.48Å; L92-K96 WeakPolarHBondContact O-CG 3.3Å; L92-K96 PolarHBondContact O-N 2.95Å
93	K	76.2	Confident	73.9	Confident	136 Å²	136	93.9 Å²	93.9	59%	0.591	46%	0.457	S	S	*	.	H	α-helix	trans	-62.8	-45.4	175.6	-79.9	-176.5	177.8	-178	0	111.4	M89 V90 K96 K97	M89-K93 WeakPolarHBondContact O-CG 3.28Å; M89-K93 PolarHBondContact O-N 3.24Å; V90-K93 PolarHBondContact O-N 3.22Å; K93-K96 PolarHBondContact O-N 2.92Å; K93-K97 PolarHBondContact O-N 3.13Å
94	I	78.1	Confident	74.2	Confident	111 Å²	111	97 Å²	97	57%	0.569	47%	0.474	S	S	*	.	H	α-helix	trans	-62.8	-45.7	177	-64.9	167.5	0	0	0	110.3	V90 I91 K96 K97 A98	V90-I94 HydrophobicContact CG1-CD1 3.89Å; V90-I94 WeakPolarHBondContact O-CG1 3.41Å; V90-I94 PolarHBondContact O-N 2.88Å; I91-I94 PolarHBondContact O-N 3.05Å; I94-K96 PolarHBondContact O-N 2.94Å; I94-K97 PolarHBondContact O-N 3.36Å; I94-A98 WeakPolarHBondContact O-CB 3.35Å; I94-A98 PolarHBondContact O-N 3.07Å
95	A	77.6	Confident	74.3	Confident	54 Å²	54	95.8 Å²	95.8	45%	0.446	47%	0.469	S	S	.	.	H	α-helix	trans	-62.5	-41.9	178.5	0	0	0	0	0	112.8	I91 L92 A98 R99	I91-A95 WeakPolarHBondContact O-CB 3.36Å; I91-A95 PolarHBondContact O-N 3Å; L92-A95 PolarHBondContact O-N 3.22Å; A95-A98 PolarHBondContact O-N 2.94Å; A95-R99 WeakPolarHBondContact O-CB 3.02Å; A95-R99 PolarHBondContact O-N 3.08Å
96	K	78.1	Confident	73.8	Confident	161 Å²	161	96 Å²	96	70%	0.7	47%	0.467	S	S	*	.	H	α-helix	trans	-61.6	-43	174.1	-79.5	-173.7	175.5	-173.3	0	111.6	L92 K93 I94 R99 S100	L92-K96 WeakPolarHBondContact O-CB 3.48Å; L92-K96 WeakPolarHBondContact O-CG 3.3Å; L92-K96 PolarHBondContact O-N 2.95Å; K93-K96 PolarHBondContact O-N 2.92Å; I94-K96 PolarHBondContact O-N 2.94Å; K96-R99 PolarHBondContact O-N 2.8Å; K96-S100 PolarHBondContact O-N 3.15Å
97	K	78.2	Confident	73.1	Confident	144 Å²	144	92.7 Å²	92.7	63%	0.626	47%	0.469	S	S	*	.	H	α-helix	trans	-65.3	-43.6	177.2	-174	63.6	174.7	-178.3	0	111.6	K93 I94 R99 S100 V101	K93-K97 PolarHBondContact O-N 3.13Å; I94-K97 PolarHBondContact O-N 3.36Å; K97-R99 PolarHBondContact O-N 3.24Å; K97-S100 WeakPolarHBondContact O-CB 3.47Å; K97-S100 PolarHBondContact O-N 3.33Å; K97-V101 WeakPolarHBondContact O-CG2 3.2Å; K97-V101 PolarHBondContact O-N 2.93Å
98	A	73.7	Confident	72.5	Confident	40 Å²	40	94.8 Å²	94.8	33%	0.331	49%	0.487	S	S	.	.	H	α-helix	trans	-60.3	-44.2	176.1	0	0	0	0	0	111.9	I94 A95 S100 V101 L102	I94-A98 WeakPolarHBondContact O-CB 3.35Å; I94-A98 PolarHBondContact O-N 3.07Å; A95-A98 PolarHBondContact O-N 2.94Å; A98-S100 VanDerWaalsContact C-N 3.34Å; A98-S100 PolarHBondContact O-N 2.87Å; A98-V101 PolarHBondContact O-N 3.37Å; A98-L102 WeakPolarHBondContact O-CB 3.46Å; A98-L102 PolarHBondContact O-N 2.9Å
99	R	72.7	Confident	71.4	Confident	178 Å²	178	97.8 Å²	97.8	67%	0.672	50%	0.504	S	S	*	.	H	α-helix	trans	-61.4	-40.6	174.6	-173.8	178.8	-180	-173.5	-0.1	112.3	A95 K96 K97 L102 L103	A95-R99 WeakPolarHBondContact O-CB 3.02Å; A95-R99 PolarHBondContact O-N 3.08Å; K96-R99 PolarHBondContact O-N 2.8Å; K97-R99 PolarHBondContact O-N 3.24Å; R99-L102 WeakPolarHBondContact O-CB 3.43Å; R99-L102 PolarHBondContact O-N 3.43Å; R99-L103 HydrophobicContact CG-CD1 4.13Å; R99-L103 HydrophobicContact CG-CG 4.47Å; R99-L103 WeakPolarHBondContact O-CG 3.25Å; R99-L103 PolarHBondContact O-N 2.91Å
100	S	73	Confident	69.8	Low	53 Å²	53	98.9 Å²	98.9	37%	0.371	52%	0.515	S	S	.	.	H	α-helix	trans	-64.2	-42.7	176.5	172.6	0	0	0	0	112.1	K96 K97 A98 L102 N104	K96-S100 PolarHBondContact O-N 3.15Å; K97-S100 WeakPolarHBondContact O-CB 3.47Å; K97-S100 PolarHBondContact O-N 3.33Å; A98-S100 VanDerWaalsContact C-N 3.34Å; A98-S100 PolarHBondContact O-N 2.87Å; S100-L102 VanDerWaalsContact C-N 3.32Å; S100-N104 WeakPolarHBondContact O-CB 3.49Å; S100-N104 PolarHBondContact O-N 3.41Å; S100-N104 VanDerWaalsContact O-N 3.1Å; S100-N104 PolarHBondContact O-OD1 3.5Å
101	V	72.1	Confident	68.3	Low	74 Å²	74	101.6 Å²	101.6	45%	0.448	53%	0.534	S	S	.	.	H	α-helix	trans	-64.5	-39.5	175.7	173.4	0	0	0	0	111	K97 A98 N104 R105	K97-V101 WeakPolarHBondContact O-CG2 3.2Å; K97-V101 PolarHBondContact O-N 2.93Å; A98-V101 PolarHBondContact O-N 3.37Å; V101-N104 PolarHBondContact O-N 2.87Å; V101-R105 PolarHBondContact O-N 3.02Å
102	L	70.8	Confident	66.8	Low	38 Å²	38	105.2 Å²	105.2	20%	0.199	55%	0.548	C	S	.	.	H	α-helix	trans	-59.5	-54.2	175.5	-96.7	170.1	0	0	0	113.1	L18 M22 A98 R99 S100 N104 R105 E106	L18-L102 HydrophobicContact CD1-CD1 4.2Å; L18-L102 HydrophobicContact CD2-CD1 3.8Å; L18-L102 HydrophobicContact CD2-CD2 3.13Å; L18-L102 HydrophobicContact CD2-CG 3.52Å; L18-L102 HydrophobicContact CG-CD1 4.03Å; L18-L102 HydrophobicContact CG-CD2 4.18Å; L18-L102 HydrophobicContact CG-CG 4.29Å; M22-L102 HydrophobicContact SD-CD1 4.15Å; A98-L102 WeakPolarHBondContact O-CB 3.46Å; A98-L102 PolarHBondContact O-N 2.9Å; R99-L102 WeakPolarHBondContact O-CB 3.43Å; R99-L102 PolarHBondContact O-N 3.43Å; S100-L102 VanDerWaalsContact C-N 3.32Å; L102-N104 VanDerWaalsContact C-N 3.27Å; L102-N104 PolarHBondContact O-N 3.34Å; L102-R105 PolarHBondContact O-N 3.2Å; L102-E106 PolarHBondContact O-N 2.93Å
103	L	70.7	Confident	64.9	Low	86 Å²	86	106.4 Å²	106.4	45%	0.45	56%	0.559	S	S	.	*	H	α-helix	trans	-62.1	-37.3	-179.8	-70	171.6	0	0	0	111.5	R99 R105 E106 A107	R99-L103 HydrophobicContact CG-CD1 4.13Å; R99-L103 HydrophobicContact CG-CG 4.47Å; R99-L103 WeakPolarHBondContact O-CG 3.25Å; R99-L103 PolarHBondContact O-N 2.91Å; L103-R105 VanDerWaalsContact C-N 3.34Å; L103-E106 PolarHBondContact O-N 2.87Å; L103-A107 WeakPolarHBondContact O-CB 3.28Å; L103-A107 PolarHBondContact O-N 2.72Å
104	N	68.6	Low	63	Low	101 Å²	101	106.5 Å²	106.5	54%	0.54	57%	0.566	S	S	.	*	H	α-helix	trans	-66.6	-35.4	175.1	-70.8	-4.5	0	0	0	112.1	S100 V101 L102 L108	S100-N104 WeakPolarHBondContact O-CB 3.49Å; S100-N104 PolarHBondContact O-N 3.41Å; S100-N104 VanDerWaalsContact O-N 3.1Å; S100-N104 PolarHBondContact O-OD1 3.5Å; V101-N104 PolarHBondContact O-N 2.87Å; L102-N104 VanDerWaalsContact C-N 3.27Å; L102-N104 PolarHBondContact O-N 3.34Å; N104-L108 WeakPolarHBondContact O-CD1 3.42Å; N104-L108 WeakPolarHBondContact O-CG 3.4Å; N104-L108 PolarHBondContact O-N 3.28Å
105	R	65.6	Low	61.3	Low	89 Å²	89	108.7 Å²	108.7	34%	0.336	58%	0.579	S	S	.	*	H	α-helix	trans	-72.8	-35.9	174.1	-100.9	-172.3	161.4	172	-6.7	112.8	N11 V101 L102 L103 L108 N109	N11-R105 PolarHBondContact O-NH2 3.03Å; N11-R105 PolarHBondContact OD1-NH2 3.41Å; V101-R105 PolarHBondContact O-N 3.02Å; L102-R105 PolarHBondContact O-N 3.2Å; L103-R105 VanDerWaalsContact C-N 3.34Å; R105-L108 PolarHBondContact O-N 2.88Å; R105-N109 WeakPolarHBondContact O-CB 3.38Å; R105-N109 PolarHBondContact O-N 2.8Å; R105-N109 PolarHBondContact O-ND2 3.1Å
106	E	62.7	Low	59.4	Low	119 Å²	119	114.9 Å²	114.9	56%	0.556	60%	0.596	S	S	*	*	H	α-helix	trans	-67.3	-42.1	175.3	-74.5	178.5	176.4	0	0	111.6	L102 L103 L108 N109 T110	L102-E106 PolarHBondContact O-N 2.93Å; L103-E106 PolarHBondContact O-N 2.87Å; E106-L108 VanDerWaalsContact C-N 3.25Å; E106-L108 PolarHBondContact O-N 3.46Å; E106-N109 PolarHBondContact O-N 3.36Å; E106-T110 PolarHBondContact O-N 2.84Å; E106-T110 VanDerWaalsContact O-N 3.14Å
107	A	59.7	Low	57.6	Low	71 Å²	71	112.5 Å²	112.5	59%	0.587	60%	0.6	S	S	*	*	H	α-helix	trans	-62.8	-30.4	176.7	0	0	0	0	0	113.2	L103 T110	L103-A107 WeakPolarHBondContact O-CB 3.28Å; L103-A107 PolarHBondContact O-N 2.72Å; A107-T110 PolarHBondContact O-OG1 3.19Å; A107-T110 VanDerWaalsContact O-OG1 3.11Å
108	L	57.7	Low	55.8	Low	148 Å²	148	111.9 Å²	111.9	78%	0.775	61%	0.608	S	S	*	*	H	α-helix	trans	-78.4	-20.4	174.3	-74	166.1	0	0	0	113.2	N104 R105 E106	N104-L108 WeakPolarHBondContact O-CD1 3.42Å; N104-L108 WeakPolarHBondContact O-CG 3.4Å; N104-L108 PolarHBondContact O-N 3.28Å; R105-L108 PolarHBondContact O-N 2.88Å; E106-L108 VanDerWaalsContact C-N 3.25Å; E106-L108 PolarHBondContact O-N 3.46Å
109	N	53	Low	54	Low	121 Å²	121	116.9 Å²	116.9	65%	0.647	63%	0.629	S	S	*	*	H	α-helix	trans	-104	1.2	-175.6	-73	-43.5	0	0	0	114	R105 E106 P111	R105-N109 WeakPolarHBondContact O-CB 3.38Å; R105-N109 PolarHBondContact O-N 2.8Å; R105-N109 PolarHBondContact O-ND2 3.1Å; E106-N109 PolarHBondContact O-N 3.36Å; N109-P111 WeakPolarHBondContact O-CD 3.39Å
110	T	44.3	Very low	52.6	Low	103 Å²	103	114.5 Å²	114.5	63%	0.632	63%	0.634	S	S	*	*	S	Bend	trans	-66.8	109.9	166.5	30	0	0	0	0	108.8	E106 A107 Q112	E106-T110 PolarHBondContact O-N 2.84Å; E106-T110 VanDerWaalsContact O-N 3.14Å; A107-T110 PolarHBondContact O-OG1 3.19Å; A107-T110 VanDerWaalsContact O-OG1 3.11Å; T110-Q112 PolarHBondContact O-N 2.57Å
111	P	42.9	Very low	50.9	Low	105 Å²	105	119.6 Å²	119.6	68%	0.682	65%	0.652	S	S	*	*			trans	-61.3	132.3	174.3	26	-31.8	0	0	0	108.3	N109 T113	N109-P111 WeakPolarHBondContact O-CD 3.39Å; P111-T113 PolarHBondContact O-N 3.47Å
112	Q	45.7	Very low	49.1	Very low	179 Å²	179	123.9 Å²	123.9	84%	0.836	67%	0.673	S	S	*	*			trans	-48.5	111.1	165.7	-89.1	-177.3	-26.3	0	0	107.1	T110 D114	T110-Q112 PolarHBondContact O-N 2.57Å; Q112-D114 VanDerWaalsContact C-N 3.27Å; Q112-D114 PolarHBondContact O-N 2.69Å
113	T	41.8	Very low	47.5	Very low	123 Å²	123	129.7 Å²	129.7	76%	0.755	70%	0.702	S	S	*	*			trans	-72.7	97.3	171.7	-37.9	0	0	0	0	104.2	P111 D115	P111-T113 PolarHBondContact O-N 3.47Å; T113-D115 VanDerWaalsContact C-N 3.32Å; T113-D115 PolarHBondContact O-N 3.44Å
114	D	36.3	Very low	45.6	Very low	138 Å²	138	131.1 Å²	131.1	74%	0.738	72%	0.719	S	S	*	*			trans	-57.7	103.5	165.1	-79.8	-31.8	0	0	0	106.4	Q112 K116	Q112-D114 VanDerWaalsContact C-N 3.27Å; Q112-D114 PolarHBondContact O-N 2.69Å; D114-K116 PolarHBondContact O-N 3.43Å
115	D	42.3	Very low	44.1	Very low	157 Å²	157	131.4 Å²	131.4	84%	0.84	73%	0.729	S	S	*	*			trans	-60.3	80.3	169.4	-84.6	-33.3	0	0	0	108.7	T113 S117	T113-D115 VanDerWaalsContact C-N 3.32Å; T113-D115 PolarHBondContact O-N 3.44Å; D115-S117 VanDerWaalsContact C-N 3.29Å; D115-S117 PolarHBondContact O-N 2.8Å
116	K	38.3	Very low	42.5	Very low	185 Å²	185	132.1 Å²	132.1	80%	0.804	75%	0.748	S	S	*	*			trans	-72.6	94.6	156.9	-79.4	-164.7	177.3	-177.7	0	107.3	D114 V118	D114-K116 PolarHBondContact O-N 3.43Å; K116-V118 PolarHBondContact O-N 3.2Å
117	S	39.2	Very low	41	Very low	111 Å²	111	135.5 Å²	135.5	78%	0.776	76%	0.761	S	S	*	*			trans	-12.7	106.2	156.7	58.2	0	0	0	0	114.1	D115	D115-S117 VanDerWaalsContact C-N 3.29Å; D115-S117 PolarHBondContact O-N 2.8Å
118	V	41.1	Very low	39.7	Very low	131 Å²	131	139.9 Å²	139.9	79%	0.794	77%	0.774	S	S	*	*			trans	-89.6	103.4	158.9	-174.6	0	0	0	0	106.5	K116 V120	K116-V118 PolarHBondContact O-N 3.2Å; V118-V120 HydrophobicContact CG1-CG2 3.95Å; V118-V120 PolarHBondContact O-N 3.09Å
119	D	34.9	Very low	38.2	Very low	144 Å²	144	139.7 Å²	139.7	77%	0.77	77%	0.774	S	S	*	*			trans	-69.8	87.3	178.1	-153.9	2.4	0	0	0	109.1	Q121	D119-Q121 PolarHBondContact O-N 3.02Å
120	V	44	Very low	37.2	Very low	128 Å²	128	138.7 Å²	138.7	78%	0.776	78%	0.776	S	S	*	*			trans	-90.8	91.8	174	-173.1	0	0	0	0	108.4	V118	V118-V120 HydrophobicContact CG1-CG2 3.95Å; V118-V120 PolarHBondContact O-N 3.09Å
121	Q	37.2	Very low	36.4	Very low	160 Å²	160	141.1 Å²	141.1	75%	0.748	79%	0.785	S	S	*	*			trans	-52.4	140.5	169.8	-79	177.7	-11.8	0	0	112.8	D119 I123	D119-Q121 PolarHBondContact O-N 3.02Å; Q121-I123 PolarHBondContact O-N 3.22Å
122	N	34	Very low	36	Very low	165 Å²	165	144.1 Å²	144.1	88%	0.882	80%	0.796	S	S	*	*			trans	-37.8	118.6	165.2	-95.2	-29.6	0	0	0	113.5
123	I	37.9	Very low	35.2	Very low	159 Å²	159	140.6 Å²	140.6	82%	0.815	79%	0.791	S	S	*	*			trans	-104.1	96.8	155.3	-50.9	177	0	0	0	107.4	Q121	Q121-I123 PolarHBondContact O-N 3.22Å
124	S	30.9	Very low	34.7	Very low	116 Å²	116	140.3 Å²	140.3	81%	0.811	79%	0.794	S	S	*	*			trans	-83	126	162.6	179.1	0	0	0	0	108.5
125	S	36.4	Very low	34.3	Very low	108 Å²	108	143.4 Å²	143.4	76%	0.755	80%	0.797	S	S	*	*			trans	-156.8	155.3	163.1	64	0	0	0	0	111
126	S	31.8	Very low	33.4	Very low	104 Å²	104	142.8 Å²	142.8	73%	0.727	79%	0.793	S	S	*	*			trans	-98.1	147.6	-134.3	59	0	0	0	0	115.8	N128	S126-N128 PolarHBondContact O-N 3.43Å
127	K	30.6	Very low	32.9	Very low	190 Å²	190	140.1 Å²	140.1	83%	0.826	79%	0.793	S	S	*	*			trans	-25.4	111.2	146.1	-160.5	174.7	-167.8	174.8	0	113.2
128	N	34	Very low	32.2	Very low	163 Å²	163	143 Å²	143	87%	0.872	79%	0.794	S	S	*	*			trans	-116.1	126.4	155.9	-105.2	-7.5	0	0	0	109.1	S126	S126-N128 PolarHBondContact O-N 3.43Å
129	N	25.3	Very low	31.4	Very low	143 Å²	143	145.1 Å²	145.1	77%	0.765	80%	0.795	S	S	*	*			trans	-111.3	159.5	-174.1	-152.2	15.8	0	0	0	107.2
130	S	31.7	Very low	31.1	Very low	100 Å²	100	144.1 Å²	144.1	70%	0.699	80%	0.798	S	S	*	*			trans	97.8	106.7	164.8	100.4	0	0	0	0	119.3
131	N	27.7	Very low	30.2	Very low	154 Å²	154	145.2 Å²	145.2	82%	0.824	80%	0.799	S	S	*	*				28.6	108.8	118.1	-63	-5.2	0	0	0	118.2
132	N	35.5	Very low	29.9	Very low	169 Å²	169	144.9 Å²	144.9	90%	0.904	80%	0.802	S	S	*	*				-154.5	131.4	129	-109.6	-16.2	0	0	0	110.8
133	S	27.9	Very low	29.7	Very low	104 Å²	104	143 Å²	143	73%	0.727	80%	0.796	S	S	*	*			trans	-78.6	131.9	176.8	83.6	0	0	0	0	110.1
134	S	31.1	Very low	29.4	Very low	117 Å²	117	144.4 Å²	144.4	82%	0.818	80%	0.797	S	S	*	*			trans	-153.7	142.1	145.3	61.7	0	0	0	0	110
135	Y	27.8	Very low	29.4	Very low	204 Å²	204	146.8 Å²	146.8	80%	0.8	80%	0.795	S	S	*	*			trans	-80.9	156.1	-165.4	-78.1	-101.7	0	0	0	113.5
136	N	23.7	Very low	29.3	Very low	143 Å²	143	147.1 Å²	147.1	77%	0.765	80%	0.795	S	S	*	*			trans	54.3	117.1	145.9	-75.6	-14.6	0	0	0	118.3
137	T	27.6	Very low	29.2	Very low	129 Å²	129	149.6 Å²	149.6	79%	0.791	80%	0.799	S	S	*	*				168.9	154.3	100.7	-58.5	0	0	0	0	108.3
138	Q	24.9	Very low	29.4	Very low	171 Å²	171	147.5 Å²	147.5	80%	0.799	80%	0.796	S	S	*	*			trans	-38.5	157.6	-177.6	-65	166.8	-11.7	0	0	118.1
139	Q	23.7	Very low	29.4	Very low	177 Å²	177	144.1 Å²	144.1	83%	0.827	78%	0.783	S	S	*	*			trans	73.9	119.6	161.3	-73.8	-177.2	-8.1	0	0	118.3
140	C	28.5	Very low	29.6	Very low	123 Å²	123	145.3 Å²	145.3	83%	0.831	79%	0.789	S	S	*	*				175.4	145	100.9	-93.2	0	0	0	0	111.2
141	D	25.5	Very low	29.7	Very low	150 Å²	150	147 Å²	147	80%	0.802	79%	0.79	S	S	*	*			trans	-44.3	135	175.7	-76.1	-60.3	0	0	0	115
142	L	32.4	Very low	29.9	Very low	153 Å²	153	144.3 Å²	144.3	80%	0.801	78%	0.783	S	S	*	*			trans	-147.1	113.2	130.1	-144.5	82.4	0	0	0	109.7	K144	L142-K144 PolarHBondContact O-N 3.01Å
143	V	28.7	Very low	29.8	Very low	126 Å²	126	141.2 Å²	141.2	76%	0.764	78%	0.775	S	S	*	*			trans	-36.8	97.4	156.9	178.7	0	0	0	0	109.8
144	K	31.1	Very low	30	Very low	189 Å²	189	142 Å²	142	82%	0.822	78%	0.775	S	S	*	*			trans	-99.5	109.9	156.4	-78.4	-173.4	177.9	-177.8	0	105.8	L142	L142-K144 PolarHBondContact O-N 3.01Å
145	Q	32.4	Very low	29.8	Very low	166 Å²	166	144.9 Å²	144.9	78%	0.776	78%	0.775	S	S	*	*			trans	-44.2	144.7	167.2	-77.9	-175.7	-11.6	0	0	110	N147	Q145-N147 PolarHBondContact O-N 3.44Å; Q145-N147 VanDerWaalsContact O-N 3.09Å
146	P	32.8	Very low	29.9	Very low	115 Å²	115	140.7 Å²	140.7	75%	0.747	77%	0.771	S	S	*	*			trans	-53.7	124	171.8	23.1	-31.4	0	0	0	107.9	I148	P146-I148 VanDerWaalsContact C-N 3.28Å; P146-I148 PolarHBondContact O-N 2.86Å
147	N	30.1	Very low	30.2	Very low	155 Å²	155	142.8 Å²	142.8	83%	0.829	77%	0.773	S	S	*	*			trans	-49.6	103.2	161.2	-87.2	-32.7	0	0	0	106	Q145 P149	Q145-N147 PolarHBondContact O-N 3.44Å; Q145-N147 VanDerWaalsContact O-N 3.09Å; N147-P149 WeakPolarHBondContact O-CD 3.46Å
148	I	34.8	Very low	30.3	Very low	147 Å²	147	142.2 Å²	142.2	75%	0.754	77%	0.769	S	S	*	*			trans	-56.4	114.5	159.5	-61.6	171.3	0	0	0	102.7	P146 N150	P146-I148 VanDerWaalsContact C-N 3.28Å; P146-I148 PolarHBondContact O-N 2.86Å; I148-N150 PolarHBondContact O-N 3.46Å; I148-N150 VanDerWaalsContact O-N 3.12Å
149	P	34.5	Very low	30.6	Very low	91 Å²	91	144.1 Å²	144.1	59%	0.591	77%	0.771	S	S	*	*			trans	-54.2	130.4	174.6	21.8	-29.7	0	0	0	105.9	N147 L151	N147-P149 WeakPolarHBondContact O-CD 3.46Å; P149-L151 PolarHBondContact O-N 3.4Å
150	N	29.4	Very low	30.7	Very low	168 Å²	168	141.1 Å²	141.1	90%	0.898	77%	0.77	S	S	*	*			trans	-53	87.1	158.4	-93.3	-36	0	0	0	105.7	I148 S152	I148-N150 PolarHBondContact O-N 3.46Å; I148-N150 VanDerWaalsContact O-N 3.12Å; N150-S152 PolarHBondContact O-N 2.94Å
151	L	34.3	Very low	30.8	Very low	137 Å²	137	144.2 Å²	144.2	72%	0.717	77%	0.772	S	S	*	*			trans	-63.8	89.6	157.9	-85	140.1	0	0	0	102.2	P149 S153	P149-L151 PolarHBondContact O-N 3.4Å; L151-S153 PolarHBondContact O-N 3.39Å
152	S	31.5	Very low	31	Very low	96 Å²	96	144.5 Å²	144.5	67%	0.671	77%	0.773	S	S	*	*			trans	-35	117.9	154.5	56.3	0	0	0	0	105.2	N150 V154	N150-S152 PolarHBondContact O-N 2.94Å; S152-V154 PolarHBondContact O-N 3.24Å
153	S	33.6	Very low	30.6	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	77%	0.772	S	S	*	*			trans	-39.9	112.2	173.6	41.3	0	0	0	0	106.7	L151 Q155	L151-S153 PolarHBondContact O-N 3.39Å; S153-Q155 PolarHBondContact O-N 2.98Å
154	V	31.5	Very low	30.6	Very low	120 Å²	120	141.3 Å²	141.3	73%	0.727	76%	0.764	S	S	*	*			trans	-56.3	106.9	168.3	170.8	0	0	0	0	102.5	S152 T156	S152-V154 PolarHBondContact O-N 3.24Å; V154-T156 PolarHBondContact O-N 3.27Å
155	Q	27.7	Very low	30.3	Very low	178 Å²	178	137.6 Å²	137.6	83%	0.832	76%	0.762	S	S	*	*			trans	-51.4	98.2	174.2	-85.8	178.5	-13.1	0	0	105.7	S153 K157	S153-Q155 PolarHBondContact O-N 2.98Å; Q155-K157 PolarHBondContact O-N 2.96Å; Q155-K157 VanDerWaalsContact O-N 3.15Å
156	T	29.8	Very low	30.3	Very low	115 Å²	115	139 Å²	139	71%	0.706	76%	0.761	S	S	*	*			trans	-55.4	122.4	155.4	39.2	0	0	0	0	103.4	V154 T158	V154-T156 PolarHBondContact O-N 3.27Å; T156-T158 PolarHBondContact O-N 3.44Å
157	K	30.4	Very low	30	Very low	187 Å²	187	139 Å²	139	81%	0.813	76%	0.761	S	S	*	*			trans	-59.2	91.4	167.4	-76.5	177.7	177.9	174.5	0	105.8	Q155 Y159	Q155-K157 PolarHBondContact O-N 2.96Å; Q155-K157 VanDerWaalsContact O-N 3.15Å; K157-Y159 PolarHBondContact O-N 3.34Å
158	T	29.1	Very low	29.9	Very low	117 Å²	117	137.3 Å²	137.3	72%	0.718	76%	0.762	S	S	*	*			trans	-61.5	109.2	164.2	-49.4	0	0	0	0	104.1	T156 S160	T156-T158 PolarHBondContact O-N 3.44Å; T158-S160 PolarHBondContact O-N 2.93Å
159	Y	30.2	Very low	29.7	Very low	211 Å²	211	139.4 Å²	139.4	83%	0.827	77%	0.766	S	S	*	*			trans	-57	113.7	168.8	-68.2	-89.2	0	0	0	105.9	K157 E161	K157-Y159 PolarHBondContact O-N 3.34Å; Y159-E161 VanDerWaalsContact C-N 3.29Å; Y159-E161 PolarHBondContact O-N 3.07Å
160	S	26.2	Very low	29.4	Very low	115 Å²	115	144 Å²	144	80%	0.804	78%	0.78	S	S	*	*			trans	-62	100.4	166.6	-60.6	0	0	0	0	106.4	T158 L162	T158-S160 PolarHBondContact O-N 2.93Å; S160-L162 PolarHBondContact O-N 3.4Å
161	E	31	Very low	29.4	Very low	187 Å²	187	142.8 Å²	142.8	87%	0.874	77%	0.773	S	S	*	*			trans	-63.9	105.8	168.9	-153.5	169.4	-154.2	0	0	105.8	Y159 S163	Y159-E161 VanDerWaalsContact C-N 3.29Å; Y159-E161 PolarHBondContact O-N 3.07Å; E161-S163 PolarHBondContact O-N 3.31Å
162	L	29.2	Very low	28.9	Very low	157 Å²	157	145.7 Å²	145.7	82%	0.822	78%	0.783	S	S	*	*			trans	-56.9	108.2	170.8	-95.5	143.9	0	0	0	106.7	S160 V164	S160-L162 PolarHBondContact O-N 3.4Å; L162-V164 VanDerWaalsContact C-N 3.25Å; L162-V164 PolarHBondContact O-N 3.05Å
163	S	24.5	Very low	28.9	Very low	111 Å²	111	149.4 Å²	149.4	78%	0.776	79%	0.79	S	S	*	*			trans	-62.8	91.2	168.4	36.3	0	0	0	0	108.2	E161 S165	E161-S163 PolarHBondContact O-N 3.31Å; S163-S165 VanDerWaalsContact C-N 3.3Å; S163-S165 PolarHBondContact O-N 3Å
164	V	29	Very low	28.6	Very low	100 Å²	100	152.6 Å²	152.6	61%	0.606	80%	0.795	S	S	*	*			trans	-71.1	97	164.6	-178.2	0	0	0	0	105.8	L162 Y166	L162-V164 VanDerWaalsContact C-N 3.25Å; L162-V164 PolarHBondContact O-N 3.05Å; V164-Y166 VanDerWaalsContact C-N 3.3Å; V164-Y166 HydrophobicContact CB-CD2 4.41Å; V164-Y166 HydrophobicContact CB-CE2 4.1Å; V164-Y166 HydrophobicContact CG1-CD2 3.9Å; V164-Y166 HydrophobicContact CG1-CE2 3.55Å; V164-Y166 PolarHBondContact O-N 2.96Å
165	S	23.9	Very low	28.4	Very low	111 Å²	111	153 Å²	153	78%	0.776	80%	0.801	S	S	*	*			trans	-64	90.7	170.2	44.2	0	0	0	0	109.2	S163 P167	S163-S165 VanDerWaalsContact C-N 3.3Å; S163-S165 PolarHBondContact O-N 3Å; S165-P167 WeakPolarHBondContact O-CD 3.46Å
166	Y	32.2	Very low	28.4	Very low	195 Å²	195	152.4 Å²	152.4	77%	0.765	80%	0.799	S	S	*	*			trans	-71.2	122.3	161.7	-75.4	-83.3	0	0	0	107.7	V164 S168	V164-Y166 VanDerWaalsContact C-N 3.3Å; V164-Y166 HydrophobicContact CB-CD2 4.41Å; V164-Y166 HydrophobicContact CB-CE2 4.1Å; V164-Y166 HydrophobicContact CG1-CD2 3.9Å; V164-Y166 HydrophobicContact CG1-CE2 3.55Å; V164-Y166 PolarHBondContact O-N 2.96Å; Y166-S168 PolarHBondContact O-N 3.41Å; Y166-S168 VanDerWaalsContact O-N 3.11Å
167	P	28.3	Very low	28.5	Very low	115 Å²	115	155.4 Å²	155.4	75%	0.747	80%	0.797	S	S	*	*			trans	-61	120.6	174.5	24	-31	0	0	0	108.5	S165 K169	S165-P167 WeakPolarHBondContact O-CD 3.46Å; P167-K169 PolarHBondContact O-N 3.04Å
168	S	26	Very low	28.4	Very low	121 Å²	121	152.5 Å²	152.5	85%	0.846	80%	0.795	S	S	*	*			trans	-62.1	104.6	169.8	63.5	0	0	0	0	108.4	Y166	Y166-S168 PolarHBondContact O-N 3.41Å; Y166-S168 VanDerWaalsContact O-N 3.11Å
169	K	30.6	Very low	28.5	Very low	190 Å²	190	155 Å²	155	83%	0.826	79%	0.793	S	S	*	*			trans	-119.4	106.2	153.5	-75.4	-165.3	176.1	-174.9	0	106.9	P167 N171	P167-K169 PolarHBondContact O-N 3.04Å; K169-N171 PolarHBondContact O-N 3.06Å
170	Q	29.7	Very low	28.6	Very low	189 Å²	189	152.2 Å²	152.2	88%	0.883	79%	0.792	S	S	*	*			trans	-39.2	110.8	156.8	-70	172.4	-37.4	0	0	108.6
171	N	28.3	Very low	28.6	Very low	142 Å²	142	152.2 Å²	152.2	76%	0.759	79%	0.791	S	S	*	*			trans	-158.7	103.9	150.5	-93.9	-22.8	0	0	0	105.5	K169 Q173	K169-N171 PolarHBondContact O-N 3.06Å; N171-Q173 VanDerWaalsContact C-N 3.28Å; N171-Q173 PolarHBondContact O-N 2.91Å
172	E	25.5	Very low	28.7	Very low	198 Å²	198	149.1 Å²	149.1	93%	0.925	79%	0.785	S	S	*	*			trans	-52.4	92.1	164.4	-65.8	171.3	149.5	0	0	108.4	M174	E172-M174 VanDerWaalsContact C-N 3.33Å; E172-M174 PolarHBondContact O-N 3.06Å
173	Q	29.8	Very low	28.8	Very low	174 Å²	174	147 Å²	147	81%	0.813	78%	0.781	S	S	*	*			trans	-85.7	88.8	164.8	-81.2	-172.3	6.1	0	0	107.7	N171 C175	N171-Q173 VanDerWaalsContact C-N 3.28Å; N171-Q173 PolarHBondContact O-N 2.91Å; Q173-C175 PolarHBondContact O-N 3.08Å; Q173-C175 VanDerWaalsContact O-N 3.09Å
174	M	27.4	Very low	29.1	Very low	172 Å²	172	149 Å²	149	85%	0.847	78%	0.783	S	S	*	*			trans	-54.1	106.3	161.8	-160.3	169.8	-171.8	0	0	107.9	E172 Q176	E172-M174 VanDerWaalsContact C-N 3.33Å; E172-M174 PolarHBondContact O-N 3.06Å; M174-Q176 VanDerWaalsContact C-N 3.32Å; M174-Q176 PolarHBondContact O-N 2.63Å
175	C	27.7	Very low	29.2	Very low	128 Å²	128	152.3 Å²	152.3	87%	0.865	80%	0.797	S	S	*	*			trans	-68	89	176	-71.3	0	0	0	0	109.6	Q173 R177	Q173-C175 PolarHBondContact O-N 3.08Å; Q173-C175 VanDerWaalsContact O-N 3.09Å; C175-R177 PolarHBondContact O-N 2.81Å
176	Q	27.2	Very low	29.6	Very low	166 Å²	166	152.2 Å²	152.2	78%	0.776	80%	0.796	S	S	*	*			trans	-70.9	112.5	169.8	-166.9	101.9	24.7	0	0	108.6	M174 V178	M174-Q176 VanDerWaalsContact C-N 3.32Å; M174-Q176 PolarHBondContact O-N 2.63Å; Q176-V178 PolarHBondContact O-N 3.12Å
177	R	31.8	Very low	29.3	Very low	177 Å²	177	148.3 Å²	148.3	67%	0.668	80%	0.798	S	S	*	*			trans	-70.1	114.4	176.5	-154.5	-179.5	-71.1	175.6	-3	108.4	C175 Y179	C175-R177 PolarHBondContact O-N 2.81Å; R177-Y179 HydrophobicContact CB-CE2 4.5Å; R177-Y179 PolarHBondContact O-N 3.45Å
178	V	28.8	Very low	29.3	Very low	127 Å²	127	147.2 Å²	147.2	77%	0.77	80%	0.798	S	S	*	*			trans	-74	115.1	174.5	-179.4	0	0	0	0	107.5	Q176	Q176-V178 PolarHBondContact O-N 3.12Å
179	Y	30.7	Very low	29.4	Very low	170 Å²	170	147.7 Å²	147.7	67%	0.667	80%	0.8	S	S	*	*			trans	-87.9	122.1	170.7	-71.1	-84.8	0	0	0	108.5	R177 S181	R177-Y179 HydrophobicContact CB-CE2 4.5Å; R177-Y179 PolarHBondContact O-N 3.45Å; Y179-S181 PolarHBondContact O-N 3.2Å; Y179-S181 PolarHBondContact O-OG 3.3Å
180	D	32	Very low	29.2	Very low	152 Å²	152	146.7 Å²	146.7	81%	0.813	80%	0.804	S	S	*	*			trans	-62.2	107	167.9	-72	-32.9	0	0	0	108.2	V182	D180-V182 PolarHBondContact O-N 2.98Å
181	S	27.6	Very low	29.1	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	80%	0.799	S	S	*	*			trans	-80.6	104.7	177.9	-43.9	0	0	0	0	107.8	Y179	Y179-S181 PolarHBondContact O-N 3.2Å; Y179-S181 PolarHBondContact O-OG 3.3Å
182	V	32	Very low	29.1	Very low	123 Å²	123	142 Å²	142	75%	0.745	80%	0.803	S	S	*	*			trans	-88.8	126.1	163.9	-176	0	0	0	0	107.3	D180 D184	D180-V182 PolarHBondContact O-N 2.98Å; V182-D184 PolarHBondContact O-N 3.47Å
183	P	32.8	Very low	29.5	Very low	111 Å²	111	142.1 Å²	142.1	72%	0.721	80%	0.8	S	S	*	*			trans	-78.9	108.4	-173.9	29.4	-31.9	0	0	0	110.7	N185	P183-N185 PolarHBondContact O-N 2.93Å
184	D	31	Very low	29.4	Very low	155 Å²	155	145.2 Å²	145.2	83%	0.829	80%	0.804	S	S	*	*			trans	-83.6	111.5	171.1	-94.2	-24	0	0	0	111.2	V182 S186	V182-D184 PolarHBondContact O-N 3.47Å; D184-S186 PolarHBondContact O-N 2.97Å
185	N	29.3	Very low	29.5	Very low	168 Å²	168	140.8 Å²	140.8	90%	0.898	80%	0.795	S	S	*	*			trans	-73.5	93.6	163.9	-80.3	-27.1	0	0	0	109.2	P183	P183-N185 PolarHBondContact O-N 2.93Å
186	S	32.2	Very low	29.8	Very low	109 Å²	109	144.8 Å²	144.8	76%	0.762	80%	0.798	S	S	*	*			trans	-138.8	102.5	155.6	63.9	0	0	0	0	109.8	D184	D184-S186 PolarHBondContact O-N 2.97Å
187	S	27.4	Very low	29.7	Very low	114 Å²	114	144.2 Å²	144.2	80%	0.797	80%	0.8	S	S	*	*			trans	-62.6	149.4	169.3	57.5	0	0	0	0	112
188	A	26.5	Very low	29.7	Very low	91 Å²	91	141.1 Å²	141.1	75%	0.752	81%	0.806	S	S	*	*			trans	78.3	105.5	156.8	0	0	0	0	0	117
189	C	28.3	Very low	29.6	Very low	131 Å²	131	144.2 Å²	144.2	89%	0.885	81%	0.809	S	S	*	*				-164	136.1	100.6	-98.1	0	0	0	0	111.8
190	N	27.2	Very low	29.7	Very low	170 Å²	170	143.7 Å²	143.7	91%	0.909	82%	0.817	S	S	*	*			trans	-62.3	138.3	-177.3	-80.2	-36.9	0	0	0	113.2
191	G	28.5	Very low	29.4	Very low	76 Å²	76	142.1 Å²	142.1	78%	0.784	82%	0.818	S	S	*	*			trans	-163.1	85	168.1	0	0	0	0	0	111.3	K193	G191-K193 PolarHBondContact O-N 3.36Å
192	N	27.5	Very low	29.5	Very low	156 Å²	156	142.5 Å²	142.5	83%	0.834	82%	0.816	S	S	*	*			trans	-47.9	128.2	177.7	-75.6	-34.3	0	0	0	113.7
193	K	33.4	Very low	29.2	Very low	200 Å²	200	141.7 Å²	141.7	87%	0.87	81%	0.813	S	S	*	*				-176.1	107.3	127.9	-97.9	161.6	-172.5	-177.2	0	112.6	G191	G191-K193 PolarHBondContact O-N 3.36Å
194	R	27.8	Very low	29.2	Very low	240 Å²	240	143.6 Å²	143.6	91%	0.906	82%	0.815	S	S	*	*			trans	49.4	101.2	145	-70.8	-178.7	-167.2	-173.6	2.9	120.2
195	A	29.2	Very low	29.1	Very low	78 Å²	78	142.7 Å²	142.7	65%	0.645	82%	0.818	S	S	*	*				43.6	111.2	114.4	0	0	0	0	0	119.3
196	F	34	Very low	28.8	Very low	213 Å²	213	137.3 Å²	137.3	93%	0.934	80%	0.802	S	S	*	*				-133.7	109.2	123	-90.8	-80.5	0	0	0	108.7	S198	F196-S198 PolarHBondContact O-N 3.3Å
197	D	25.4	Very low	28.7	Very low	153 Å²	153	142 Å²	142	82%	0.818	81%	0.809	S	S	*	*			trans	-66.6	115.1	165.5	-79.9	-52.1	0	0	0	109.3
198	S	33.1	Very low	28.7	Very low	113 Å²	113	146.8 Å²	146.8	79%	0.79	81%	0.809	S	S	*	*			trans	-139.2	84.7	153.2	61.2	0	0	0	0	109.5	F196 L200	F196-S198 PolarHBondContact O-N 3.3Å; S198-L200 PolarHBondContact O-N 3.2Å
199	K	25.9	Very low	28.7	Very low	191 Å²	191	147 Å²	147	83%	0.83	81%	0.811	S	S	*	*			trans	-70	103.7	157.3	-68.9	-167.4	179.9	-172.2	0	108.1
200	L	33	Very low	28.8	Very low	159 Å²	159	149.7 Å²	149.7	83%	0.832	81%	0.808	S	S	*	*			trans	-130.7	91.9	151.2	-117.7	101	0	0	0	108.9	S198	S198-L200 PolarHBondContact O-N 3.2Å
201	S	25.6	Very low	28.7	Very low	119 Å²	119	148.8 Å²	148.8	83%	0.832	80%	0.803	S	S	*	*			trans	-63.8	131.3	159.9	-53.7	0	0	0	0	109
202	T	29.8	Very low	28.7	Very low	123 Å²	123	152.5 Å²	152.5	76%	0.755	80%	0.804	S	S	*	*			trans	-143	133	157.9	-34.2	0	0	0	0	108.7
203	P	24.7	Very low	28.7	Very low	105 Å²	105	154.7 Å²	154.7	68%	0.682	81%	0.807	S	S	*	*			trans	-93.2	147.5	-166.5	35.5	-34.1	0	0	0	114.5
204	I	33.6	Very low	28.2	Very low	152 Å²	152	153.2 Å²	153.2	78%	0.779	80%	0.803	S	S	*	*			trans	48.3	133.1	140	-43.3	163.8	0	0	0	118.6
205	P	28.4	Very low	28.3	Very low	136 Å²	136	146.6 Å²	146.6	88%	0.883	79%	0.794	S	S	*	*				-131.3	125	100.3	34.8	-24.4	0	0	0	112.8
206	G	23.9	Very low	28	Very low	55 Å²	55	150.3 Å²	150.3	57%	0.567	80%	0.798	S	S	*	*			trans	-80.4	162.4	165.6	0	0	0	0	0	110.8
207	K	28.7	Very low	27.9	Very low	208 Å²	208	147.9 Å²	147.9	90%	0.904	80%	0.795	S	S	*	*			trans	74.2	111.5	168.3	-55.2	-175.4	179.6	-177	0	116.5
208	R	27.8	Very low	27.8	Very low	213 Å²	213	146.1 Å²	146.1	80%	0.804	79%	0.789	S	S	*	*				-159.7	115.4	106.2	-103.2	172.7	-168	173.7	4	109.7	F210	R208-F210 HydrophobicContact CB-CE2 4.24Å; R208-F210 PolarHBondContact O-N 2.91Å
209	A	26.1	Very low	27.6	Very low	96 Å²	96	147.2 Å²	147.2	79%	0.793	79%	0.786	S	S	*	*			trans	-65.1	116.8	162.8	0	0	0	0	0	107.9	L211	A209-L211 PolarHBondContact O-N 3.32Å
210	F	31.2	Very low	27.6	Very low	187 Å²	187	146.6 Å²	146.6	82%	0.82	78%	0.783	S	S	*	*			trans	-87.8	105.4	163.5	-76	-80.5	0	0	0	107.6	R208	R208-F210 HydrophobicContact CB-CE2 4.24Å; R208-F210 PolarHBondContact O-N 2.91Å
211	L	26.2	Very low	27.2	Very low	152 Å²	152	146.8 Å²	146.8	80%	0.796	78%	0.779	S	S	*	*			trans	-57.2	146.7	167.8	-86.5	142.1	0	0	0	110.9	A209 F213	A209-L211 PolarHBondContact O-N 3.32Å; L211-F213 PolarHBondContact O-N 3.49Å
212	N	26.9	Very low	27.1	Very low	153 Å²	153	148.8 Å²	148.8	82%	0.818	78%	0.781	S	S	*	*			trans	-34.5	120.2	169.3	-68.8	-33.7	0	0	0	113.3	Q214	N212-Q214 VanDerWaalsContact C-N 3.32Å; N212-Q214 PolarHBondContact O-N 3.4Å
213	F	28.4	Very low	27.1	Very low	203 Å²	203	151.7 Å²	151.7	89%	0.89	78%	0.783	S	S	*	*			trans	-81.4	87.6	153.9	-106.4	-89.1	0	0	0	108.2	L211 S215	L211-F213 PolarHBondContact O-N 3.49Å; F213-S215 PolarHBondContact O-N 3.03Å
214	Q	23.3	Very low	27.2	Very low	168 Å²	168	151.7 Å²	151.7	79%	0.785	79%	0.785	S	S	*	*			trans	-79.5	93.6	157.9	-171.4	170.8	29.5	0	0	106.2	N212 E216	N212-Q214 VanDerWaalsContact C-N 3.32Å; N212-Q214 PolarHBondContact O-N 3.4Å; Q214-E216 PolarHBondContact O-N 3.07Å
215	S	29.8	Very low	26.9	Very low	101 Å²	101	149.3 Å²	149.3	71%	0.706	78%	0.782	S	S	*	*			trans	-83	91.9	171.5	57.9	0	0	0	0	108.7	F213 N217	F213-S215 PolarHBondContact O-N 3.03Å; S215-N217 PolarHBondContact O-N 2.98Å
216	E	22.8	Very low	26.8	Very low	157 Å²	157	151.9 Å²	151.9	73%	0.734	78%	0.782	S	S	*	*			trans	-57.7	114.3	153.2	-73.1	180	145.2	0	0	108.5	Q214	Q214-E216 PolarHBondContact O-N 3.07Å
217	N	31.7	Very low	27	Very low	162 Å²	162	159.8 Å²	159.8	87%	0.866	80%	0.795	S	S	*	*			trans	-123.8	87.6	157.5	-101.1	-4.8	0	0	0	108	S215	S215-N217 PolarHBondContact O-N 2.98Å
218	T	23.6	Very low	26.9	Very low	115 Å²	115	157.2 Å²	157.2	71%	0.706	79%	0.791	S	S	*	*			trans	-66.1	121.2	157.2	-30.4	0	0	0	0	107.9
219	L	27.3	Very low	27.1	Very low	136 Å²	136	152.4 Å²	152.4	71%	0.712	79%	0.785	S	S	*	*				173.9	129.5	126.2	-113.7	80.4	0	0	0	112.7
220	K	26	Very low	27.2	Very low	178 Å²	178	152.8 Å²	152.8	77%	0.774	78%	0.782	S	S	*	*			trans	76.6	97.7	145.1	-65.3	-176.4	179.6	177.3	0	118.7	D222	K220-D222 PolarHBondContact O-N 3.33Å
221	H	24.8	Very low	27.2	Very low	164 Å²	164	150.8 Å²	150.8	76%	0.759	78%	0.78	S	S	*	*				1.8	106.3	128.9	-73.6	-71.8	0	0	0	115.4
222	D	25	Very low	27.3	Very low	161 Å²	161	148.5 Å²	148.5	86%	0.861	77%	0.772	S	S	*	*			trans	-124	103.9	139.7	-110.7	-28	0	0	0	108.6	K220 S224	K220-D222 PolarHBondContact O-N 3.33Å; D222-S224 PolarHBondContact O-N 3Å
223	K	28.6	Very low	27.2	Very low	184 Å²	184	149.2 Å²	149.2	80%	0.8	77%	0.773	S	S	*	*			trans	-82.4	81.8	174.1	-74.8	-179.8	175.4	178	0	108.4
224	S	28	Very low	27.2	Very low	104 Å²	104	149.2 Å²	149.2	73%	0.727	77%	0.768	S	S	*	*			trans	-175.1	92.1	153.1	54.6	0	0	0	0	110.8	D222	D222-S224 PolarHBondContact O-N 3Å
225	S	27.4	Very low	27.2	Very low	103 Å²	103	146.2 Å²	146.2	72%	0.72	77%	0.765	S	S	*	*			trans	172.5	106	137.5	-173	0	0	0	0	108.2	R227	S225-R227 VanDerWaalsContact C-N 3.31Å; S225-R227 PolarHBondContact O-N 2.9Å
226	H	25.4	Very low	27	Very low	190 Å²	190	148.7 Å²	148.7	88%	0.88	77%	0.77	S	S	*	*			trans	-60.4	94.2	163.2	-81.4	-64.5	0	0	0	108.9
227	R	28.2	Very low	27.2	Very low	220 Å²	220	147.3 Å²	147.3	83%	0.83	77%	0.772	S	S	*	*			trans	-105.8	105.5	156.3	-96.1	-168.8	177	-170.4	2.7	108.3	S225 T229	S225-R227 VanDerWaalsContact C-N 3.31Å; S225-R227 PolarHBondContact O-N 2.9Å; R227-T229 VanDerWaalsContact C-N 3.27Å; R227-T229 PolarHBondContact O-N 2.89Å
228	N	26.6	Very low	27	Very low	155 Å²	155	144.5 Å²	144.5	83%	0.829	76%	0.761	S	S	*	*			trans	-60	86.3	169.7	-66.7	-19.1	0	0	0	109.5
229	T	31.1	Very low	27.4	Very low	112 Å²	112	144.9 Å²	144.9	69%	0.687	77%	0.766	S	S	*	*			trans	-89.7	95.5	155.5	51.4	0	0	0	0	106.2	R227 N231	R227-T229 VanDerWaalsContact C-N 3.27Å; R227-T229 PolarHBondContact O-N 2.89Å; T229-N231 VanDerWaalsContact C-N 3.28Å; T229-N231 PolarHBondContact O-N 2.86Å
230	S	29.8	Very low	27.6	Very low	104 Å²	104	148.9 Å²	148.9	73%	0.727	77%	0.773	S	S	*	*			trans	-59.7	99.9	162.6	56.5	0	0	0	0	106.7	V232	S230-V232 VanDerWaalsContact C-N 3.35Å; S230-V232 PolarHBondContact O-N 2.91Å
231	N	29.6	Very low	27.6	Very low	145 Å²	145	147.5 Å²	147.5	78%	0.775	77%	0.774	S	S	*	*			trans	-58.2	103.3	167.7	-75.2	-21.8	0	0	0	106.7	T229 M233	T229-N231 VanDerWaalsContact C-N 3.28Å; T229-N231 PolarHBondContact O-N 2.86Å; N231-M233 PolarHBondContact O-N 3.12Å
232	V	29	Very low	28.2	Very low	103 Å²	103	146.1 Å²	146.1	62%	0.624	78%	0.777	S	S	*	*			trans	-67.4	94.5	167	177.6	0	0	0	0	105.4	S230 Y234	S230-V232 VanDerWaalsContact C-N 3.35Å; S230-V232 PolarHBondContact O-N 2.91Å; V232-Y234 WeakPolarHBondContact O-CD2 3.36Å; V232-Y234 PolarHBondContact O-N 2.95Å
233	M	25.6	Very low	28.5	Very low	169 Å²	169	146.1 Å²	146.1	83%	0.833	77%	0.772	S	S	*	*			trans	-68.7	100.9	176.3	-170.2	151.9	128.3	0	0	107.4	N231 S235	N231-M233 PolarHBondContact O-N 3.12Å; M233-S235 PolarHBondContact O-N 3.05Å; M233-S235 VanDerWaalsContact O-N 3.08Å
234	Y	27.2	Very low	28.7	Very low	203 Å²	203	144.8 Å²	144.8	80%	0.796	77%	0.774	S	S	*	*			trans	-65.4	105.7	168.6	-67.4	-87.1	0	0	0	107.7	V232 L236	V232-Y234 WeakPolarHBondContact O-CD2 3.36Å; V232-Y234 PolarHBondContact O-N 2.95Å; Y234-L236 VanDerWaalsContact C-N 3.34Å; Y234-L236 PolarHBondContact O-N 3.37Å
235	S	24.4	Very low	29	Very low	104 Å²	104	147.2 Å²	147.2	73%	0.727	78%	0.775	S	S	*	*			trans	-66.6	98.2	166.7	-69.7	0	0	0	0	108.3	M233 T237	M233-S235 PolarHBondContact O-N 3.05Å; M233-S235 VanDerWaalsContact O-N 3.08Å; S235-T237 PolarHBondContact O-N 3.15Å
236	L	24.6	Very low	29.1	Very low	154 Å²	154	151.3 Å²	151.3	81%	0.806	78%	0.78	S	S	*	*			trans	-63.9	100	170.1	-158.8	87.4	0	0	0	107.8	Y234 T238	Y234-L236 VanDerWaalsContact C-N 3.34Å; Y234-L236 PolarHBondContact O-N 3.37Å; L236-T238 PolarHBondContact O-N 3.17Å; L236-T238 VanDerWaalsContact O-N 3.12Å
237	T	26.8	Very low	29.6	Very low	127 Å²	127	149.6 Å²	149.6	78%	0.779	78%	0.778	S	S	*	*			trans	-73.4	99.5	166.8	49.7	0	0	0	0	107.4	S235 P239	S235-T237 PolarHBondContact O-N 3.15Å; T237-P239 WeakPolarHBondContact O-CD 3.43Å
238	T	28.3	Very low	29.6	Very low	103 Å²	103	143.8 Å²	143.8	63%	0.632	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-56.2	122.2	166.4	21.5	0	0	0	0	108.8	L236 Y240	L236-T238 PolarHBondContact O-N 3.17Å; L236-T238 VanDerWaalsContact O-N 3.12Å; T238-Y240 PolarHBondContact O-N 2.71Å; T238-Y240 VanDerWaalsContact O-N 3.17Å
239	P	32.7	Very low	29.8	Very low	124 Å²	124	142 Å²	142	81%	0.805	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-66.6	116.7	173.6	25.7	-30.5	0	0	0	108.3	T237 N241	T237-P239 WeakPolarHBondContact O-CD 3.43Å; P239-N241 PolarHBondContact O-N 2.79Å
240	Y	30.9	Very low	29.8	Very low	219 Å²	219	144.6 Å²	144.6	86%	0.859	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-60.4	129.8	171.2	-98.2	-95.6	0	0	0	109.3	T238 T242	T238-Y240 PolarHBondContact O-N 2.71Å; T238-Y240 VanDerWaalsContact O-N 3.17Å; Y240-T242 PolarHBondContact O-N 2.83Å
241	N	25.8	Very low	29.9	Very low	149 Å²	149	147.7 Å²	147.7	80%	0.797	78%	0.779	S	S	*	*			trans	-59.6	94.4	178	-147.3	3.9	0	0	0	109.3	P239 E243	P239-N241 PolarHBondContact O-N 2.79Å; N241-E243 VanDerWaalsContact C-N 3.32Å; N241-E243 PolarHBondContact O-N 3.07Å
242	T	38	Very low	29.9	Very low	135 Å²	135	145.7 Å²	145.7	83%	0.828	77%	0.773	S	S	*	*			trans	-76.4	91.8	166.9	39.8	0	0	0	0	107.9	Y240 N244	Y240-T242 PolarHBondContact O-N 2.83Å; T242-N244 PolarHBondContact O-N 3Å
243	E	29.7	Very low	30	Very low	162 Å²	162	148.1 Å²	148.1	76%	0.757	78%	0.781	S	S	*	*			trans	-47.8	122.4	165.5	-70.8	178.5	151.5	0	0	110.3	N241 M245	N241-E243 VanDerWaalsContact C-N 3.32Å; N241-E243 PolarHBondContact O-N 3.07Å; E243-M245 PolarHBondContact O-N 2.99Å; E243-M245 VanDerWaalsContact O-N 3.07Å
244	N	33.1	Very low	30.2	Very low	155 Å²	155	148.7 Å²	148.7	83%	0.829	78%	0.779	S	S	*	*			trans	38.2	58.5	146.8	-63.4	-13.6	0	0	0	117.6	T242 K246	T242-N244 PolarHBondContact O-N 3Å; N244-K246 VanDerWaalsContact C-N 3.27Å; N244-K246 PolarHBondContact O-N 3.27Å; N244-K246 VanDerWaalsContact O-N 3.11Å
245	M	33.9	Very low	30.5	Very low	155 Å²	155	145.8 Å²	145.8	76%	0.764	78%	0.778	S	S	*	*			trans	-75.1	94.5	146.6	-78.5	-151.2	157.3	0	0	107.2	E243 N247	E243-M245 PolarHBondContact O-N 2.99Å; E243-M245 VanDerWaalsContact O-N 3.07Å; M245-N247 PolarHBondContact O-N 3.07Å
246	K	31.2	Very low	30.8	Very low	190 Å²	190	149.5 Å²	149.5	83%	0.826	78%	0.783	S	S	*	*			trans	-50.7	107.8	163.8	-84.6	-179.3	174.3	179.7	0	106.8	N244 S248	N244-K246 VanDerWaalsContact C-N 3.27Å; N244-K246 PolarHBondContact O-N 3.27Å; N244-K246 VanDerWaalsContact O-N 3.11Å; K246-S248 PolarHBondContact O-N 3.11Å
247	N	34.7	Very low	31	Very low	154 Å²	154	149 Å²	149	82%	0.824	78%	0.782	S	S	*	*			trans	-65	89.1	167.9	-67.9	-21.3	0	0	0	106.8	M245 P249	M245-N247 PolarHBondContact O-N 3.07Å; N247-P249 VanDerWaalsContact O-CD 3.23Å; N247-P249 WeakPolarHBondContact O-CD 3.38Å
248	S	27.9	Very low	31.4	Very low	97 Å²	97	150 Å²	150	68%	0.678	78%	0.782	S	S	*	*			trans	-69.8	114.9	164.7	-58.5	0	0	0	0	106.7	K246 I250	K246-S248 PolarHBondContact O-N 3.11Å; S248-I250 PolarHBondContact O-N 3.47Å
249	P	32.5	Very low	31.5	Very low	117 Å²	117	151.8 Å²	151.8	76%	0.76	79%	0.788	S	S	*	*			trans	-64.7	124.9	175.5	24.3	-28.9	0	0	0	108.8	N247 E251	N247-P249 VanDerWaalsContact O-CD 3.23Å; N247-P249 WeakPolarHBondContact O-CD 3.38Å; P249-E251 PolarHBondContact O-N 3.1Å
250	I	30.7	Very low	31.8	Very low	168 Å²	168	153.1 Å²	153.1	86%	0.862	79%	0.788	S	S	*	*			trans	-76.5	101.4	174.6	-61	167.3	0	0	0	106.4	S248	S248-I250 PolarHBondContact O-N 3.47Å
251	E	31.3	Very low	31.9	Very low	169 Å²	169	150.1 Å²	150.1	79%	0.79	79%	0.787	S	S	*	*			trans	-77.6	128.9	167.6	-87.9	-170.1	158	0	0	109.5	P249 I253	P249-E251 PolarHBondContact O-N 3.1Å; E251-I253 PolarHBondContact O-N 3.36Å
252	P	30	Very low	32.7	Very low	102 Å²	102	150.7 Å²	150.7	66%	0.662	79%	0.79	S	S	*	*			trans	-73.3	120.7	178.5	27.7	-31.5	0	0	0	110.6	F254	P252-F254 HydrophobicContact CG-CE2 4.42Å; P252-F254 PolarHBondContact O-N 3.47Å
253	I	31.1	Very low	32.6	Very low	155 Å²	155	152 Å²	152	80%	0.795	79%	0.787	S	S	*	*			trans	-77.7	108.5	174.7	-59	172.4	0	0	0	107.9	E251	E251-I253 PolarHBondContact O-N 3.36Å
254	F	30.4	Very low	32.8	Very low	181 Å²	181	154.1 Å²	154.1	79%	0.794	79%	0.789	S	S	*	*			trans	-83.6	113.4	167.5	-82.8	-91.3	0	0	0	108.7	P252 Q256	P252-F254 HydrophobicContact CG-CE2 4.42Å; P252-F254 PolarHBondContact O-N 3.47Å; F254-Q256 PolarHBondContact O-N 2.97Å
255	N	32.9	Very low	33	Very low	142 Å²	142	154.6 Å²	154.6	76%	0.759	79%	0.792	S	S	*	*			trans	-58.9	109.9	173.6	-75.6	-13.6	0	0	0	109.8	N257	N255-N257 PolarHBondContact O-N 2.93Å
256	Q	30.1	Very low	33.1	Very low	181 Å²	181	152.8 Å²	152.8	85%	0.846	79%	0.786	S	S	*	*			trans	-74	112.2	161.3	-74.5	-179.4	-4.3	0	0	107	F254 D258	F254-Q256 PolarHBondContact O-N 2.97Å; Q256-D258 PolarHBondContact O-N 3.38Å
257	N	30	Very low	33.5	Very low	145 Å²	145	150.3 Å²	150.3	78%	0.775	79%	0.786	S	S	*	*			trans	-68.9	96.7	170.7	-76.6	-7.8	0	0	0	108.8	N255	N255-N257 PolarHBondContact O-N 2.93Å
258	D	33.3	Very low	33.3	Very low	147 Å²	147	149.4 Å²	149.4	79%	0.786	78%	0.781	S	S	*	*			trans	-84.6	113.3	157.7	-91.1	-27.8	0	0	0	108.3	Q256 N260	Q256-D258 PolarHBondContact O-N 3.38Å; D258-N260 PolarHBondContact O-N 2.86Å
259	N	31.7	Very low	33.6	Very low	141 Å²	141	152.1 Å²	152.1	75%	0.754	79%	0.789	S	S	*	*			trans	-59.2	112.8	171	-65	-40.2	0	0	0	109.2
260	N	37.7	Very low	33.9	Very low	152 Å²	152	153.4 Å²	153.4	81%	0.813	79%	0.789	S	S	*	*			trans	-126.4	106.8	147.5	-79.2	-47.1	0	0	0	106.9	D258 D262	D258-N260 PolarHBondContact O-N 2.86Å; N260-D262 PolarHBondContact O-N 2.98Å
261	D	34.6	Very low	34.5	Very low	156 Å²	156	152.9 Å²	152.9	83%	0.834	79%	0.788	S	S	*	*			trans	-59.5	106.5	162	-65.4	-51.3	0	0	0	107.6
262	D	41.7	Very low	34.9	Very low	161 Å²	161	152.3 Å²	152.3	86%	0.861	79%	0.79	S	S	*	*			trans	-141.4	134.2	152.3	-90	-38.4	0	0	0	109.3	N260	N260-D262 PolarHBondContact O-N 2.98Å
263	E	36.5	Very low	35.4	Very low	161 Å²	161	154.2 Å²	154.2	75%	0.752	80%	0.795	S	S	*	*			trans	-62.4	142.4	-165.3	-83.6	177.9	128.5	0	0	115.7
264	Y	34.3	Very low	35.7	Very low	207 Å²	207	154.2 Å²	154.2	81%	0.812	80%	0.797	S	S	*	*			trans	35.8	111.5	140.8	-55.2	-72.2	0	0	0	119.2
265	D	36.9	Very low	35.9	Very low	165 Å²	165	151 Å²	151	88%	0.882	79%	0.792	S	S	*	*				-156.3	140.2	108.7	-134.3	-16	0	0	0	112.3
266	D	36.4	Very low	36.1	Very low	118 Å²	118	150 Å²	150	63%	0.631	79%	0.785	S	S	*	*			trans	-74.5	127.6	-178.7	177.5	8.2	0	0	0	110.4	N268	D266-N268 PolarHBondContact OD1-ND2 2.87Å
267	T	38.3	Very low	36.2	Very low	137 Å²	137	148.9 Å²	148.9	84%	0.84	78%	0.782	S	S	*	*			trans	-164.4	111.4	136.1	12.7	0	0	0	0	110.5	D269	T267-D269 PolarHBondContact O-N 3.07Å
268	N	31.9	Very low	36.5	Very low	135 Å²	135	151 Å²	151	72%	0.722	78%	0.78	S	S	*	*			trans	-46.5	127.5	158	-53.7	-87.7	0	0	0	110.6	D266	D266-N268 PolarHBondContact OD1-ND2 2.87Å
269	D	34.1	Very low	36.5	Very low	155 Å²	155	149.1 Å²	149.1	83%	0.829	78%	0.779	S	S	*	*			trans	-161.8	107.3	141.6	-95.5	-23.9	0	0	0	108.5	T267	T267-D269 PolarHBondContact O-N 3.07Å
270	D	38	Very low	36.6	Very low	144 Å²	144	149.9 Å²	149.9	77%	0.77	78%	0.775	S	S	*	*			trans	28.3	109.2	151.5	-62.5	-30.9	0	0	0	118.2	D272	D270-D272 PolarHBondContact O-N 3.32Å
271	D	42.4	Very low	36.2	Very low	157 Å²	157	148.1 Å²	148.1	84%	0.84	78%	0.775	S	S	*	*			trans	-44.4	96.8	159.9	-62.6	-60.9	0	0	0	111.1	D273	D271-D273 PolarHBondContact O-N 3.25Å
272	D	40.3	Very low	36	Very low	157 Å²	157	150.2 Å²	150.2	84%	0.84	77%	0.772	S	S	*	*			trans	-66.1	85	159.4	-84.4	-37.6	0	0	0	107.3	D270 D274	D270-D272 PolarHBondContact O-N 3.32Å; D272-D274 PolarHBondContact O-N 3.07Å
273	D	40	Very low	35.4	Very low	142 Å²	142	148.4 Å²	148.4	76%	0.759	77%	0.769	S	S	*	*			trans	-48.2	109.3	165.8	-83.5	-44	0	0	0	108.3	D271 V275	D271-D273 PolarHBondContact O-N 3.25Å; D273-V275 WeakPolarHBondContact O-CG2 3.46Å; D273-V275 PolarHBondContact O-N 3.02Å
274	D	37.1	Very low	35.3	Very low	155 Å²	155	146.9 Å²	146.9	83%	0.829	77%	0.765	S	S	*	*			trans	-59.6	83.9	171.7	-82	-43.4	0	0	0	109.6	D272 I276	D272-D274 PolarHBondContact O-N 3.07Å; D274-I276 VanDerWaalsContact C-N 3.33Å; D274-I276 PolarHBondContact O-N 3.24Å
275	V	36.2	Very low	35	Very low	114 Å²	114	142.1 Å²	142.1	69%	0.691	76%	0.761	S	S	*	*			trans	-70.6	91	175.4	-177.4	0	0	0	0	108.2	D273 M277	D273-V275 WeakPolarHBondContact O-CG2 3.46Å; D273-V275 PolarHBondContact O-N 3.02Å; V275-M277 HydrophobicContact CG1-CG 4.31Å; V275-M277 PolarHBondContact O-N 3.27Å
276	I	35.6	Very low	34.6	Very low	119 Å²	119	143.9 Å²	143.9	61%	0.61	76%	0.761	S	S	*	*			trans	-66.1	95.2	173.7	-56.9	176.4	0	0	0	109.1	D274 Y278	D274-I276 VanDerWaalsContact C-N 3.33Å; D274-I276 PolarHBondContact O-N 3.24Å; I276-Y278 HydrophobicContact CB-CE2 4.17Å; I276-Y278 HydrophobicContact CG2-CD2 3.99Å; I276-Y278 HydrophobicContact CG2-CE1 4.5Å; I276-Y278 HydrophobicContact CG2-CE2 3.45Å; I276-Y278 VanDerWaalsContact CG2-CE2 3.45Å; I276-Y278 WeakPolarHBondContact O-CD2 3.43Å; I276-Y278 PolarHBondContact O-N 3.04Å; I276-Y278 VanDerWaalsContact O-N 3.14Å
277	M	32.1	Very low	34.3	Very low	159 Å²	159	143 Å²	143	78%	0.783	76%	0.764	S	S	*	*			trans	-72.8	94.3	179.1	-75.7	-100.2	-88	0	0	111.9	V275 S279	V275-M277 HydrophobicContact CG1-CG 4.31Å; V275-M277 PolarHBondContact O-N 3.27Å; M277-S279 PolarHBondContact O-N 3.11Å
278	Y	38.3	Very low	33.7	Very low	189 Å²	189	146.9 Å²	146.9	74%	0.741	76%	0.763	S	S	*	*			trans	-78.6	80.4	170.7	-71	-83.2	0	0	0	111.8	I276 K280	I276-Y278 HydrophobicContact CB-CE2 4.17Å; I276-Y278 HydrophobicContact CG2-CD2 3.99Å; I276-Y278 HydrophobicContact CG2-CE1 4.5Å; I276-Y278 HydrophobicContact CG2-CE2 3.45Å; I276-Y278 VanDerWaalsContact CG2-CE2 3.45Å; I276-Y278 WeakPolarHBondContact O-CD2 3.43Å; I276-Y278 PolarHBondContact O-N 3.04Å; I276-Y278 VanDerWaalsContact O-N 3.14Å; Y278-K280 VanDerWaalsContact C-N 3.33Å; Y278-K280 PolarHBondContact O-N 2.7Å
279	S	31.9	Very low	33.7	Very low	108 Å²	108	148.1 Å²	148.1	76%	0.755	77%	0.768	S	S	*	*			trans	-86.6	61.4	173.3	50.5	0	0	0	0	112.4	M277 S281	M277-S279 PolarHBondContact O-N 3.11Å; S279-S281 PolarHBondContact O-N 3.48Å
280	K	34.7	Very low	33.3	Very low	157 Å²	157	145.6 Å²	145.6	68%	0.683	76%	0.763	S	S	*	*			trans	-89.6	88.9	164	-82.8	-175.5	179.8	175.8	0	109.4	Y278 Y282	Y278-K280 VanDerWaalsContact C-N 3.33Å; Y278-K280 PolarHBondContact O-N 2.7Å; K280-Y282 WeakPolarHBondContact O-CD2 3.41Å; K280-Y282 PolarHBondContact O-N 3.34Å; K280-Y282 VanDerWaalsContact O-N 3.13Å
281	S	29.9	Very low	32.9	Very low	115 Å²	115	144.6 Å²	144.6	80%	0.804	76%	0.756	S	S	*	*			trans	-64.6	104.8	172.3	51.9	0	0	0	0	110.4	S279	S279-S281 PolarHBondContact O-N 3.48Å
282	Y	30.2	Very low	32.3	Very low	200 Å²	200	143.3 Å²	143.3	78%	0.784	75%	0.745	S	S	*	*			trans	-70.5	136.7	169.5	-72.3	-89.8	0	0	0	109.7	K280 L284	K280-Y282 WeakPolarHBondContact O-CD2 3.41Å; K280-Y282 PolarHBondContact O-N 3.34Å; K280-Y282 VanDerWaalsContact O-N 3.13Å; Y282-L284 PolarHBondContact O-N 2.87Å; Y282-L284 VanDerWaalsContact O-N 3.07Å
283	P	28.5	Very low	32	Very low	122 Å²	122	142.6 Å²	142.6	79%	0.792	74%	0.742	S	S	*	*			trans	-63.2	115.9	174.6	22.5	-29.5	0	0	0	110.2	C285	P283-C285 PolarHBondContact O-N 3.31Å
284	L	33.7	Very low	31.8	Very low	129 Å²	129	139.9 Å²	139.9	68%	0.675	73%	0.733	S	S	*	*			trans	-59.6	95	178.2	-72.1	157.3	0	0	0	110.5	Y282 K286 Y325	Y282-L284 PolarHBondContact O-N 2.87Å; Y282-L284 VanDerWaalsContact O-N 3.07Å; L284-K286 PolarHBondContact O-N 3.14Å; L284-K286 VanDerWaalsContact O-N 3.08Å; L284-Y325 HydrophobicContact CD2-CD2 3.74Å; L284-Y325 HydrophobicContact CD2-CE2 4.37Å; L284-Y325 HydrophobicContact CD2-CG 4.09Å
285	C	28.3	Very low	31.8	Very low	108 Å²	108	139.7 Å²	139.7	73%	0.73	73%	0.728	S	S	*	*			trans	-72.3	103.8	171.7	-156.5	0	0	0	0	108.7	P283 C287	P283-C285 PolarHBondContact O-N 3.31Å; C285-C287 PolarHBondContact O-N 3.26Å; C285-C287 VanDerWaalsContact SG-SG 3.63Å
286	K	28.1	Very low	31.7	Very low	201 Å²	201	139.6 Å²	139.6	87%	0.874	73%	0.727	S	S	*	*			trans	-68.4	68.9	172.2	-75.7	180	178.7	173.4	0	110.2	L284 R288	L284-K286 PolarHBondContact O-N 3.14Å; L284-K286 VanDerWaalsContact O-N 3.08Å; K286-R288 VanDerWaalsContact C-N 3.34Å; K286-R288 PolarHBondContact O-N 3.3Å
287	C	31.2	Very low	31.6	Very low	101 Å²	101	139.3 Å²	139.3	68%	0.682	74%	0.735	S	S	*	*			trans	-73.2	90.3	170.6	-69.7	0	0	0	0	109	C285 L289	C285-C287 PolarHBondContact O-N 3.26Å; C285-C287 VanDerWaalsContact SG-SG 3.63Å; C287-L289 PolarHBondContact O-N 3.02Å; C287-L289 VanDerWaalsContact O-N 3.15Å
288	R	26.2	Very low	31.3	Very low	217 Å²	217	135.3 Å²	135.3	82%	0.819	73%	0.734	S	S	*	*			trans	-66.7	104.2	164.1	-94.3	-178.3	164.6	165.2	-5	108.2	K286 S290	K286-R288 VanDerWaalsContact C-N 3.34Å; K286-R288 PolarHBondContact O-N 3.3Å; R288-S290 PolarHBondContact O-N 3.48Å
289	L	30.3	Very low	31.3	Very low	161 Å²	161	135.3 Å²	135.3	84%	0.843	75%	0.746	S	S	*	*			trans	-76.9	101.8	166.2	-84.7	155.5	0	0	0	108.2	C287 I291	C287-L289 PolarHBondContact O-N 3.02Å; C287-L289 VanDerWaalsContact O-N 3.15Å; L289-I291 PolarHBondContact O-N 3.07Å
290	S	25.9	Very low	31.2	Very low	103 Å²	103	132.9 Å²	132.9	72%	0.72	74%	0.738	S	S	*	*			trans	-69.7	104.7	165.6	53.1	0	0	0	0	108.5	R288 Q292	R288-S290 PolarHBondContact O-N 3.48Å; S290-Q292 PolarHBondContact O-N 3.04Å
291	I	30.6	Very low	31.1	Very low	122 Å²	122	132.6 Å²	132.6	63%	0.626	74%	0.743	S	S	*	*			trans	-70.1	111.5	168.3	-58.2	172.9	0	0	0	106.1	L289 V296	L289-I291 PolarHBondContact O-N 3.07Å; I291-V296 HydrophobicContact CG2-CG2 4.15Å
292	Q	29.3	Very low	31.4	Very low	130 Å²	130	134.9 Å²	134.9	61%	0.607	75%	0.747	S	S	*	*			trans	-71.1	133.3	172.1	-70.6	-174.7	-2.6	0	0	108.4	S290 S294 E295	S290-Q292 PolarHBondContact O-N 3.04Å; Q292-S294 WeakPolarHBondContact CB-OG 3.23Å; Q292-S294 PolarHBondContact O-N 3.41Å; Q292-E295 PolarHBondContact O-N 3.46Å
293	N	33.5	Very low	31.6	Very low	143 Å²	143	133.3 Å²	133.3	77%	0.765	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-54.1	-20.7	179	-71.6	-15	0	0	0	113.4	E295 V296	N293-E295 PolarHBondContact O-N 3.25Å; N293-V296 PolarHBondContact O-N 2.76Å
294	S	36.4	Very low	31.6	Very low	84 Å²	84	133.9 Å²	133.9	59%	0.587	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-64.3	-21.6	173.9	50.8	0	0	0	0	114.2	Q292	Q292-S294 WeakPolarHBondContact CB-OG 3.23Å; Q292-S294 PolarHBondContact O-N 3.41Å
295	E	37.6	Very low	31.4	Very low	152 Å²	152	131 Å²	131	71%	0.71	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-85.7	-10	179.2	-65.4	-171.6	166.8	0	0	113.6	Q292 N293	Q292-E295 PolarHBondContact O-N 3.46Å; N293-E295 PolarHBondContact O-N 3.25Å
296	V	34.2	Very low	31.8	Very low	111 Å²	111	131.7 Å²	131.7	67%	0.673	74%	0.744	S	S	*	*	S	Bend	trans	-96	-2.3	-178.2	-170.8	0	0	0	0	112.3	I291 N293	I291-V296 HydrophobicContact CG2-CG2 4.15Å; N293-V296 PolarHBondContact O-N 2.76Å
297	C	32.4	Very low	32	Very low	114 Å²	114	129.4 Å²	129.4	77%	0.77	74%	0.741	S	S	*	*	S	Bend	trans	-93.8	114.7	176.3	-68.6	0	0	0	0	111.2
298	G	26.6	Very low	31.8	Very low	74 Å²	74	132.8 Å²	132.8	76%	0.763	75%	0.747	S	S	*	*			trans	124.9	42.9	159.4	0	0	0	0	0	117.2
299	L	37.7	Very low	32.1	Very low	190 Å²	190	128.2 Å²	128.2	100%	0.995	74%	0.743	S	S	*	*	S	Bend	trans	-119.8	76.7	156.8	-88.2	160.8	0	0	0	107.9
300	G	30.1	Very low	32.2	Very low	57 Å²	57	127.6 Å²	127.6	59%	0.588	74%	0.74	S	S	*	*	S	Bend	trans	171.2	96.2	178.7	0	0	0	0	0	110.4	D302	G300-D302 PolarHBondContact O-N 3.39Å
301	N	32.6	Very low	32.3	Very low	150 Å²	150	130.8 Å²	130.8	80%	0.802	75%	0.748	S	S	*	*			trans	-54	119.3	171.7	-63.3	-8.8	0	0	0	110	L303	N301-L303 VanDerWaalsContact C-N 3.3Å; N301-L303 PolarHBondContact O-N 3.06Å
302	D	36.6	Very low	32.2	Very low	164 Å²	164	128.1 Å²	128.1	88%	0.877	74%	0.74	S	S	*	*	S	Bend	trans	43.2	23.9	142.8	-63.6	-27.8	0	0	0	121.6	G300	G300-D302 PolarHBondContact O-N 3.39Å
303	L	34.3	Very low	32.5	Very low	166 Å²	166	127.8 Å²	127.8	87%	0.869	75%	0.752	S	S	*	*			trans	-127.7	5.1	175.2	-80.8	163.8	0	0	0	115.8	N301 A305	N301-L303 VanDerWaalsContact C-N 3.3Å; N301-L303 PolarHBondContact O-N 3.06Å; L303-A305 PolarHBondContact O-N 2.95Å; L303-A305 VanDerWaalsContact O-N 3.13Å
304	I	29.1	Very low	32.3	Very low	134 Å²	134	127.2 Å²	127.2	69%	0.687	75%	0.754	S	S	*	*			trans	-84.4	94	168.1	-52.7	177.2	0	0	0	107.1	V309	I304-V309 HydrophobicContact CG2-CG2 4.41Å
305	A	28.9	Very low	32	Very low	70 Å²	70	127.4 Å²	127.4	58%	0.579	76%	0.755	S	S	*	*			trans	-51.1	133.9	168.3	0	0	0	0	0	108.7	L303 N307	L303-A305 PolarHBondContact O-N 2.95Å; L303-A305 VanDerWaalsContact O-N 3.13Å; A305-N307 PolarHBondContact O-N 3.45Å
306	P	36.9	Very low	31.9	Very low	121 Å²	121	127.3 Å²	127.3	79%	0.786	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	5.1	-168.1	21	-32	0	0	0	116.1
307	N	31.1	Very low	31.6	Very low	153 Å²	153	129.8 Å²	129.8	82%	0.818	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	0.2	-177.1	-82	-14.7	0	0	0	116.1	A305	A305-N307 PolarHBondContact O-N 3.45Å
308	E	27.3	Very low	31.7	Very low	173 Å²	173	131.9 Å²	131.9	81%	0.808	76%	0.762	S	S	*	*	S	Bend	trans	-110	12.9	175.4	-70.5	-165.5	170.9	0	0	115	L310	E308-L310 PolarHBondContact O-N 3.34Å; E308-L310 VanDerWaalsContact O-N 3.16Å
309	V	33.4	Very low	31.8	Very low	120 Å²	120	134.7 Å²	134.7	73%	0.727	76%	0.757	S	S	*	*			trans	-86.7	39.3	169.4	-165.4	0	0	0	0	111.3	I304	I304-V309 HydrophobicContact CG2-CG2 4.41Å
310	L	31.7	Very low	31.5	Very low	149 Å²	149	130.9 Å²	130.9	78%	0.78	74%	0.737	S	S	*	*			trans	-135.7	124.7	169.1	-85.4	163.3	0	0	0	106.2	E308	E308-L310 PolarHBondContact O-N 3.34Å; E308-L310 VanDerWaalsContact O-N 3.16Å
311	L	28.4	Very low	31.8	Very low	169 Å²	169	134.8 Å²	134.8	89%	0.885	74%	0.74	S	S	*	*	S	Bend	trans	102.5	99.8	-167.9	-57.2	168.8	0	0	0	110.4
312	S	28.9	Very low	31.8	Very low	67 Å²	67	133 Å²	133	47%	0.469	74%	0.739	S	S	.	*			cis	-158.6	101.5	21.6	-63.6	0	0	0	0	109.8	T314	S312-T314 PolarHBondContact O-N 3.01Å
313	S	34.1	Very low	31.9	Very low	122 Å²	122	130.2 Å²	130.2	85%	0.853	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-2.3	166.2	37.8	0	0	0	0	113
314	T	31.1	Very low	32	Very low	132 Å²	132	127.1 Å²	127.1	81%	0.81	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-9.2	-175.4	50	0	0	0	0	115.4	S312	S312-T314 PolarHBondContact O-N 3.01Å
315	S	30.1	Very low	32.3	Very low	88 Å²	88	127.2 Å²	127.2	62%	0.615	70%	0.699	S	S	*	*	S	Bend	trans	-114.7	6.9	178	70.7	0	0	0	0	114.5	Q317	S315-Q317 PolarHBondContact O-N 2.9Å
316	L	33.9	Very low	32.8	Very low	150 Å²	150	130.8 Å²	130.8	79%	0.785	70%	0.704	S	S	*	*			trans	-73.4	65.9	162.7	-137	92.7	0	0	0	107.7	Q318	L316-Q318 VanDerWaalsContact C-N 3.32Å; L316-Q318 PolarHBondContact O-N 3.34Å
317	Q	28.9	Very low	33.2	Very low	162 Å²	162	131.8 Å²	131.8	76%	0.757	70%	0.698	S	S	*	*			trans	-48.7	111.8	155.3	-78.3	179.6	-11.7	0	0	104.3	S315 M319	S315-Q317 PolarHBondContact O-N 2.9Å; Q317-M319 PolarHBondContact O-N 2.9Å
318	Q	33.8	Very low	33.8	Very low	159 Å²	159	128.1 Å²	128.1	74%	0.743	68%	0.677	S	S	*	*			trans	-54.5	88.2	167	-75.3	173.5	-11.3	0	0	105.8	L316 N320	L316-Q318 VanDerWaalsContact C-N 3.32Å; L316-Q318 PolarHBondContact O-N 3.34Å; Q318-N320 PolarHBondContact O-N 3.33Å
319	M	28.7	Very low	34.5	Very low	133 Å²	133	123.1 Å²	123.1	66%	0.655	66%	0.662	S	S	*	*			trans	-68.9	82.3	165.6	-70	-136.3	-71.8	0	0	104.4	Q317 H321	Q317-M319 PolarHBondContact O-N 2.9Å; M319-H321 WeakPolarHBondContact CE-NE2 3.27Å; M319-H321 PolarHBondContact O-N 2.97Å
320	N	32.8	Very low	34.8	Very low	109 Å²	109	123.7 Å²	123.7	58%	0.583	66%	0.661	S	S	*	*			trans	-63.2	75	167.5	-75.8	-58.9	0	0	0	106.2	Q318 S322	Q318-N320 PolarHBondContact O-N 3.33Å; N320-S322 PolarHBondContact O-N 3.01Å
321	H	34.7	Very low	35.4	Very low	140 Å²	140	121 Å²	121	65%	0.648	65%	0.647	S	S	*	*			trans	-71.7	90	165.8	-65.6	-60.9	0	0	0	106.3	M319 M323	M319-H321 WeakPolarHBondContact CE-NE2 3.27Å; M319-H321 PolarHBondContact O-N 2.97Å; H321-M323 VanDerWaalsContact C-N 3.34Å; H321-M323 PolarHBondContact O-N 2.83Å
322	S	32.8	Very low	35.9	Very low	113 Å²	113	121.2 Å²	121.2	79%	0.79	64%	0.638	S	S	*	*			trans	-62.4	102.4	156.6	50	0	0	0	0	106.4	N320 N324	N320-S322 PolarHBondContact O-N 3.01Å; S322-N324 PolarHBondContact O-N 3.35Å
323	M	39.7	Very low	36.4	Very low	105 Å²	105	121.3 Å²	121.3	52%	0.517	65%	0.649	S	S	.	*			trans	-61	118.3	171.4	-76.4	-165.7	-65.5	0	0	108.1	H321 Y325	H321-M323 VanDerWaalsContact C-N 3.34Å; H321-M323 PolarHBondContact O-N 2.83Å; M323-Y325 WeakPolarHBondContact O-CD2 3.48Å; M323-Y325 PolarHBondContact O-N 3.42Å
324	N	35.2	Very low	36.6	Very low	100 Å²	100	123.6 Å²	123.6	54%	0.535	64%	0.639	S	S	.	*			trans	-74.9	110.7	168.4	-170.3	2.4	0	0	0	107.6	S322 E326	S322-N324 PolarHBondContact O-N 3.35Å; N324-E326 PolarHBondContact O-N 3.27Å; N324-E326 PolarHBondContact OD1-N 3.33Å
325	Y	36.7	Very low	37	Very low	137 Å²	137	124.6 Å²	124.6	54%	0.537	64%	0.639	S	S	.	*	G	3₁₀ helix	trans	-70.9	-16.7	-178.9	-80.5	-92.6	0	0	0	112.8	L284 M323 E327 I328 S329	L284-Y325 HydrophobicContact CD2-CD2 3.74Å; L284-Y325 HydrophobicContact CD2-CE2 4.37Å; L284-Y325 HydrophobicContact CD2-CG 4.09Å; M323-Y325 WeakPolarHBondContact O-CD2 3.48Å; M323-Y325 PolarHBondContact O-N 3.42Å; Y325-E327 PolarHBondContact O-N 3.38Å; Y325-I328 HydrophobicContact CD1-CD1 3.91Å; Y325-I328 HydrophobicContact CE1-CD1 4.38Å; Y325-I328 HydrophobicContact CG-CD1 4.43Å; Y325-I328 WeakPolarHBondContact O-CB 3.4Å; Y325-I328 PolarHBondContact O-N 2.92Å; Y325-I328 VanDerWaalsContact O-N 3.08Å; Y325-S329 PolarHBondContact O-N 2.73Å
326	E	39.4	Very low	37.5	Very low	144 Å²	144	125.7 Å²	125.7	67%	0.673	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-64.3	-27.9	177	-70.8	176.6	163.5	0	0	112.7	N324 I328 S329	N324-E326 PolarHBondContact O-N 3.27Å; N324-E326 PolarHBondContact OD1-N 3.33Å; E326-I328 PolarHBondContact O-N 3.01Å; E326-S329 PolarHBondContact O-OG 2.96Å
327	E	44	Very low	37.5	Very low	142 Å²	142	122.5 Å²	122.5	66%	0.664	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-73.6	-16.2	176.8	-152	-177.8	-165	0	0	112.1	Y325	Y325-E327 PolarHBondContact O-N 3.38Å
328	I	43.6	Very low	38.1	Very low	76 Å²	76	119.7 Å²	119.7	39%	0.39	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93	-21.7	-176.2	-41	176.4	0	0	0	111.1	Y325 E326 N330 D331	Y325-I328 HydrophobicContact CD1-CD1 3.91Å; Y325-I328 HydrophobicContact CE1-CD1 4.38Å; Y325-I328 HydrophobicContact CG-CD1 4.43Å; Y325-I328 WeakPolarHBondContact O-CB 3.4Å; Y325-I328 PolarHBondContact O-N 2.92Å; Y325-I328 VanDerWaalsContact O-N 3.08Å; E326-I328 PolarHBondContact O-N 3.01Å; I328-N330 VanDerWaalsContact C-N 3.28Å; I328-N330 PolarHBondContact O-N 3.06Å; I328-D331 PolarHBondContact O-N 3.25Å
329	S	43.1	Very low	38.2	Very low	69 Å²	69	115.4 Å²	115.4	48%	0.483	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.1	-20.3	-176.8	54.2	0	0	0	0	114.1	Y325 E326	Y325-S329 PolarHBondContact O-N 2.73Å; E326-S329 PolarHBondContact O-OG 2.96Å
330	N	40.1	Very low	38.7	Very low	131 Å²	131	115.5 Å²	115.5	70%	0.701	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-17.1	-179.7	-72.2	2.7	0	0	0	113.8	I328 Y332	I328-N330 VanDerWaalsContact C-N 3.28Å; I328-N330 PolarHBondContact O-N 3.06Å; N330-Y332 PolarHBondContact O-N 3.19Å
331	D	42.9	Very low	38.8	Very low	94 Å²	94	113.3 Å²	113.3	50%	0.503	60%	0.596	S	S	.	*	S	Bend	trans	-88.2	63	169.6	-152.7	17.9	0	0	0	107.4	N83 I328 G333	N83-D331 PolarHBondContact ND2-OD2 2.88Å; I328-D331 PolarHBondContact O-N 3.25Å; D331-G333 PolarHBondContact O-N 3.2Å
332	Y	39.4	Very low	39.2	Very low	173 Å²	173	114.7 Å²	114.7	68%	0.678	61%	0.609	S	S	*	*			trans	-41.8	120.6	170.6	-78.1	-88.9	0	0	0	107.5	N330 R334	N330-Y332 PolarHBondContact O-N 3.19Å; Y332-R334 VanDerWaalsContact C-N 3.25Å; Y332-R334 PolarHBondContact O-N 3.21Å
333	G	40.4	Very low	39.6	Very low	68 Å²	68	112.2 Å²	112.2	70%	0.701	59%	0.592	S	S	*	*			trans	-54.7	90.1	-175.4	0	0	0	0	0	110.4	D331 D335	D331-G333 PolarHBondContact O-N 3.2Å; G333-D335 VanDerWaalsContact C-N 3.33Å; G333-D335 PolarHBondContact O-N 3.3Å
334	R	37.1	Very low	40.2	Very low	171 Å²	171	113.4 Å²	113.4	65%	0.645	61%	0.607	S	S	*	*			trans	-55	108.1	164.3	-65	-167	-161.5	-160.8	2.2	104.6	Y332 M336	Y332-R334 VanDerWaalsContact C-N 3.25Å; Y332-R334 PolarHBondContact O-N 3.21Å; R334-M336 PolarHBondContact O-N 3.39Å
335	D	39.2	Very low	40.8	Very low	152 Å²	152	115.9 Å²	115.9	81%	0.813	62%	0.62	S	S	*	*			trans	-51.6	107.3	178.2	-82.2	-36.1	0	0	0	106.9	G333 C337	G333-D335 VanDerWaalsContact C-N 3.33Å; G333-D335 PolarHBondContact O-N 3.3Å; D335-C337 PolarHBondContact O-N 2.91Å
336	M	41.2	Very low	40.7	Very low	111 Å²	111	111.2 Å²	111.2	55%	0.547	61%	0.608	S	S	.	*			trans	-76	84.7	-177.7	-158.3	-173.8	-54.1	0	0	106.1	R334 I338 I350	R334-M336 PolarHBondContact O-N 3.39Å; M336-I338 PolarHBondContact O-N 3.33Å; M336-I338 VanDerWaalsContact O-N 3.1Å; M336-I350 HydrophobicContact CG-CG2 4.42Å
337	C	34.4	Very low	40.8	Very low	83 Å²	83	114.9 Å²	114.9	56%	0.561	62%	0.615	S	S	*	*			trans	-63.9	109.8	174.6	-95.9	0	0	0	0	108.9	D335 C339	D335-C337 PolarHBondContact O-N 2.91Å; C337-C339 PolarHBondContact O-N 3.01Å
338	I	40.5	Very low	40.8	Very low	103 Å²	103	111.4 Å²	111.4	53%	0.528	61%	0.605	S	S	.	*			trans	-91.2	95.7	170.3	-57.4	176	0	0	0	106.5	M336 L340	M336-I338 PolarHBondContact O-N 3.33Å; M336-I338 VanDerWaalsContact O-N 3.1Å; I338-L340 HydrophobicContact CG2-CD2 3.77Å; I338-L340 HydrophobicContact CG2-CG 4.19Å; I338-L340 PolarHBondContact O-N 3.31Å
339	C	35.5	Very low	40.5	Very low	70 Å²	70	113.6 Å²	113.6	47%	0.473	62%	0.617	S	S	.	*	B	Isolated β-bridge	trans	-72.1	101.1	172	-64.4	0	0	0	0	109.1	C337 S341	C337-C339 PolarHBondContact O-N 3.01Å; C339-S341 PolarHBondContact O-N 3.38Å
340	L	40.4	Very low	40.4	Very low	135 Å²	135	114.8 Å²	114.8	71%	0.707	62%	0.617	S	S	*	*			trans	-82.7	98.7	169.7	-60.4	177.3	0	0	0	107.8	I338 P348	I338-L340 HydrophobicContact CG2-CD2 3.77Å; I338-L340 HydrophobicContact CG2-CG 4.19Å; I338-L340 PolarHBondContact O-N 3.31Å; L340-P348 HydrophobicContact CD2-CB 4.36Å
341	S	35.3	Very low	40.2	Very low	62 Å²	62	112.8 Å²	112.8	43%	0.434	61%	0.61	S	S	.	*			trans	-78.5	134.9	170.7	40.8	0	0	0	0	110.2	C339 S343 S346	C339-S341 PolarHBondContact O-N 3.38Å; S341-S343 PolarHBondContact O-N 3.26Å; S341-S346 VanDerWaalsContact CB-OG 3.28Å; S341-S346 WeakPolarHBondContact CB-OG 3.07Å; S341-S346 PolarHBondContact O-OG 3.49Å; S341-S346 WeakPolarHBondContact OG-CB 3.48Å; S341-S346 PolarHBondContact OG-OG 3.34Å
342	N	43.4	Very low	39.7	Very low	169 Å²	169	110.9 Å²	110.9	90%	0.904	61%	0.613	S	S	*	*	S	Bend	trans	-73.4	13.3	-178.8	-69.2	-20.3	0	0	0	114
343	S	40.8	Very low	39.2	Very low	62 Å²	62	109.1 Å²	109.1	43%	0.434	61%	0.613	S	S	.	*			trans	-88	126.8	175.3	168	0	0	0	0	109.7	S341 N345 S346	S341-S343 PolarHBondContact O-N 3.26Å; S343-N345 PolarHBondContact O-N 2.87Å; S343-N345 PolarHBondContact OG-N 3.46Å; S343-S346 WeakPolarHBondContact CB-OG 3.48Å; S343-S346 PolarHBondContact N-OG 3.03Å; S343-S346 PolarHBondContact O-N 3.09Å; S343-S346 PolarHBondContact O-OG 2.96Å
344	P	52.2	Low	39	Very low	129 Å²	129	116.7 Å²	116.7	84%	0.838	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-18.6	179.4	23.8	-32.9	0	0	0	113.3
345	N	46.6	Very low	39.1	Very low	152 Å²	152	114 Å²	114	81%	0.813	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-2.8	177.6	-67	-29.1	0	0	0	113.6	S343 R347	S343-N345 PolarHBondContact O-N 2.87Å; S343-N345 PolarHBondContact OG-N 3.46Å; N345-R347 PolarHBondContact O-N 3.11Å
346	S	35.2	Very low	39.1	Very low	40 Å²	40	112 Å²	112	28%	0.28	63%	0.626	S	S	.	*			trans	-84.6	114.2	178.8	60.3	0	0	0	0	110.2	S341 S343	S341-S346 VanDerWaalsContact CB-OG 3.28Å; S341-S346 WeakPolarHBondContact CB-OG 3.07Å; S341-S346 PolarHBondContact O-OG 3.49Å; S341-S346 WeakPolarHBondContact OG-CB 3.48Å; S341-S346 PolarHBondContact OG-OG 3.34Å; S343-S346 WeakPolarHBondContact CB-OG 3.48Å; S343-S346 PolarHBondContact N-OG 3.03Å; S343-S346 PolarHBondContact O-N 3.09Å; S343-S346 PolarHBondContact O-OG 2.96Å
347	R	41.7	Very low	39	Very low	220 Å²	220	112.1 Å²	112.1	83%	0.83	63%	0.63	S	S	*	*			trans	-61.7	134.5	165.3	-69.2	-178.5	174.8	-150.8	-1.4	107.1	N345 L349	N345-R347 PolarHBondContact O-N 3.11Å; R347-L349 PolarHBondContact O-N 3.21Å
348	P	43.2	Very low	39.2	Very low	69 Å²	69	113.8 Å²	113.8	45%	0.448	63%	0.634	S	S	.	*			trans	-57.2	107.8	171	22.1	-30.4	0	0	0	107.7	L340 I350	L340-P348 HydrophobicContact CD2-CB 4.36Å; P348-I350 PolarHBondContact O-N 2.85Å; P348-I350 VanDerWaalsContact O-N 3.13Å
349	L	37.6	Very low	39.1	Very low	123 Å²	123	114.4 Å²	114.4	64%	0.644	64%	0.641	S	S	*	*	B	Isolated β-bridge	trans	-72.4	104.8	172.9	-88.2	153.3	0	0	0	105.5	R347 T351	R347-L349 PolarHBondContact O-N 3.21Å; L349-T351 HydrophobicContact CB-CG2 4.27Å; L349-T351 PolarHBondContact O-N 3.41Å
350	I	40.5	Very low	39.4	Very low	93 Å²	93	117.4 Å²	117.4	48%	0.477	65%	0.652	S	S	.	*			trans	-74.3	83.3	159.9	-56.6	171	0	0	0	104.3	M336 P348 G352	M336-I350 HydrophobicContact CG-CG2 4.42Å; P348-I350 PolarHBondContact O-N 2.85Å; P348-I350 VanDerWaalsContact O-N 3.13Å; I350-G352 VanDerWaalsContact C-N 3.32Å; I350-G352 PolarHBondContact O-N 3.23Å
351	T	36.5	Very low	39.3	Very low	89 Å²	89	116.1 Å²	116.1	55%	0.546	65%	0.648	S	S	.	*			trans	-71.3	99.2	165.7	48	0	0	0	0	106.2	L349	L349-T351 HydrophobicContact CB-CG2 4.27Å; L349-T351 PolarHBondContact O-N 3.41Å
352	G	32.3	Very low	39.6	Very low	55 Å²	55	120.3 Å²	120.3	57%	0.567	67%	0.665	S	S	*	*			trans	-64.2	146.9	160.6	0	0	0	0	0	109.2	I350	I350-G352 VanDerWaalsContact C-N 3.32Å; I350-G352 PolarHBondContact O-N 3.23Å
353	I	29.7	Very low	39.3	Very low	135 Å²	135	116.3 Å²	116.3	69%	0.692	65%	0.645	S	S	*	*			trans	80.1	93.3	166.7	-42.5	168.8	0	0	0	114.1
354	I	35.5	Very low	39.2	Very low	228 Å²	228	121.2 Å²	121.2	100%	1.169	66%	0.664	S	S	*	*				-132.7	0	111.8	-57.5	-173.7	0	0	0	106.4

Retrieved 354 of 354 residues in 398.6 ms (Link to these results)

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