SMOX5_SCHMA Loading...

Homeobox protein SMOX-5

AlphaFold DB , UniProt , Accession Q26604, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene SMOX-5, Length 284 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	52.1	Low	50.9	Low	248 Å²	248	86.7 Å²	86.7	100%	1.222	48%	0.481	S	S	*	.				0	-172.1	0	-73.1	-176.9	173.9	0	0	108.4
2	T	51.8	Low	50.9	Low	129 Å²	129	85.7 Å²	85.7	79%	0.791	47%	0.474	S	S	*	.			trans	-73.1	176.9	-173.3	44.9	0	0	0	0	114.4
3	T	55	Low	51	Low	135 Å²	135	83.3 Å²	83.3	83%	0.828	48%	0.481	S	S	*	.			trans	79.7	113.3	-177.3	70.2	0	0	0	0	112.9
4	S	52	Low	50.5	Low	101 Å²	101	87.9 Å²	87.9	71%	0.706	50%	0.503	S	S	*	.				88.9	86.5	60.4	-177.1	0	0	0	0	110.8
5	T	55.2	Low	50.3	Low	68 Å²	68	94 Å²	94	42%	0.417	52%	0.522	S	S	.	.				95.2	102.6	104.3	-65	0	0	0	0	110.9	R101	T5-R101 PolarHBondContact OG1-NH2 2.9Å
6	M	49	Very low	50.4	Low	59 Å²	59	94.3 Å²	94.3	29%	0.291	53%	0.532	S	S	.	.				78.4	136.2	67	-71.7	-3.5	-80.3	0	0	112	R101 M104	M6-R101 HydrophobicContact CE-CB 4.17Å; M6-R101 HydrophobicContact CE-CG 4.18Å; M6-R101 HydrophobicContact CG-CB 4.04Å; M6-R101 HydrophobicContact CG-CG 4.15Å; M6-R101 HydrophobicContact SD-CB 4.16Å; M6-R101 HydrophobicContact SD-CG 3.8Å; M6-M104 HydrophobicContact CE-CE 3.98Å; M6-M104 HydrophobicContact CE-CG 4.27Å; M6-M104 HydrophobicContact CE-SD 3.43Å; M6-M104 WeakPolarHBondContact CE-SD 3.44Å
7	Q	48.6	Very low	50.3	Low	22 Å²	22	94.4 Å²	94.4	10%	0.103	53%	0.531	C	S	.	.			cis	-174.6	179.7	17.2	-110.2	169.4	18.6	0	0	115.6	A96 E97 E100 M104 A276	Q7-A96 PolarHBondContact OE1-O 2.76Å; Q7-E97 PolarHBondContact NE2-O 3.17Å; Q7-E100 WeakPolarHBondContact CB-OE1 2.74Å; Q7-E100 HydrophobicContact CG-CB 4.41Å; Q7-E100 HydrophobicContact CG-CG 4.31Å; Q7-E100 WeakPolarHBondContact CG-OE1 3.33Å; Q7-E100 VanDerWaalsContact NE2-C 3.26Å; Q7-E100 VanDerWaalsContact OE1-CD 3.27Å; Q7-E100 PolarHBondContact OE1-OE2 3.04Å; Q7-E100 VanDerWaalsContact OE1-OE2 3.07Å; Q7-M104 HydrophobicContact CG-CE 4.23Å; Q7-A276 CarbonylContact O-C 3.44Å; Q7-A276 WeakPolarHBondContact O-CA 3.26Å
8	Q	47.5	Very low	50.2	Low	18 Å²	18	89.8 Å²	89.8	8%	0.084	51%	0.505	C	S	.	.			trans	14.2	127.5	172.8	-107.4	24.5	-165.7	0	0	125.7	E100 A276	Q8-E100 VanDerWaalsContact CA-OE1 3.3Å; Q8-E100 WeakPolarHBondContact CA-OE1 3.13Å; Q8-E100 HydrophobicContact CB-CG 4.28Å; Q8-E100 WeakPolarHBondContact CB-OE1 3.33Å; Q8-E100 WeakPolarHBondContact CB-OE2 3.49Å; Q8-E100 HydrophobicContact CG-CG 3.58Å; Q8-E100 WeakPolarHBondContact CG-OE1 3.47Å; Q8-E100 VanDerWaalsContact CG-OE2 3.26Å; Q8-E100 WeakPolarHBondContact CG-OE2 3.47Å; Q8-E100 PolarHBondContact N-OE1 3.08Å; Q8-E100 VanDerWaalsContact NE2-CD 3.32Å; Q8-E100 PolarHBondContact NE2-OE1 3.13Å; Q8-A276 CarbonylContact C-O 3.54Å; Q8-A276 CarbonylContact O-C 3.19Å
9	L	50.1	Low	49.8	Very low	85 Å²	85	87.4 Å²	87.4	45%	0.445	49%	0.49	S	S	.	.				58.3	-177.6	119.6	-62.3	-169.8	0	0	0	117.2	K218 L277	L9-K218 HydrophobicContact CD1-CD 4.23Å; L9-L277 VanDerWaalsContact O-CA 3.29Å; L9-L277 WeakPolarHBondContact O-CA 3.37Å; L9-L277 VanDerWaalsContact O-CD2 3.24Å; L9-L277 WeakPolarHBondContact O-CD2 3.47Å; L9-L277 WeakPolarHBondContact O-CG 3.45Å
10	K	46.3	Very low	49.1	Very low	39 Å²	39	84.2 Å²	84.2	17%	0.17	47%	0.472	C	S	.	.			cis	-173.4	155	43.2	-56.2	172.2	-179.3	-178.4	0	111	K218 I221 R222 L277	K10-K218 HydrophobicContact CB-CD 4.4Å; K10-K218 HydrophobicContact CB-CG 4.04Å; K10-K218 HydrophobicContact CD-CG 3.57Å; K10-K218 HydrophobicContact CG-CD 4.29Å; K10-K218 HydrophobicContact CG-CG 3.64Å; K10-K218 PolarHBondContact NZ-O 2.81Å; K10-I221 VanDerWaalsContact NZ-CB 3.29Å; K10-I221 VanDerWaalsContact NZ-CG2 3.31Å; K10-R222 VanDerWaalsContact NZ-N 3.18Å; K10-L277 HydrophobicContact CB-CD2 4.21Å
11	H	52.9	Low	47.7	Very low	50 Å²	50	82.4 Å²	82.4	23%	0.231	46%	0.46	C	S	.	.				131.8	158.9	118.4	-86.7	-62.9	0	0	0	111.6	K218 D219 R222	H11-K218 VanDerWaalsContact CA-NZ 3.27Å; H11-K218 VanDerWaalsContact N-NZ 3.13Å; H11-D219 IonicContact CE1-OD1 2.74Å; H11-D219 PolarHBondContact CE1-OD1 3.36Å; H11-D219 VanDerWaalsContact CE1-OD1 3.26Å; H11-D219 IonicContact ND1-OD1 2.68Å; H11-R222 WeakPolarHBondContact NE2-CB 3.29Å
12	D	50.4	Low	45.8	Very low	74 Å²	74	73 Å²	73	40%	0.396	42%	0.416	S	S	.	.			cis	-122.2	-123.6	-7.6	-138.8	-24.8	0	0	0	116.4	K215 R222	D12-K215 VanDerWaalsContact O-CE 3.24Å; D12-K215 WeakPolarHBondContact O-CE 3.37Å; D12-K215 IonicContact OD1-NZ 2.7Å; D12-K215 PolarHBondContact OD1-NZ 3.45Å; D12-R222 IonicContact OD2-CZ 3.67Å; D12-R222 IonicContact OD2-NH1 2.97Å; D12-R222 PolarHBondContact OD2-NH1 3.48Å
13	G	52.6	Low	44.2	Very low	55 Å²	55	72 Å²	72	57%	0.567	42%	0.415	S	S	*	.			cis	-133.6	-152.8	-18.6	0	0	0	0	0	109.6	K215	G13-K215 PolarHBondContact O-NZ 3.03Å; G13-K215 VanDerWaalsContact O-NZ 3.07Å
14	D	44.2	Very low	43.1	Very low	147 Å²	147	72 Å²	72	79%	0.786	41%	0.414	S	S	*	.	S	Bend	cis	-112.3	145.6	-14.9	169.9	33.4	0	0	0	107.9
15	F	47.1	Very low	42.3	Very low	180 Å²	180	73.9 Å²	73.9	79%	0.789	42%	0.416	S	S	*	.	S	Bend	trans	51.9	96.3	-171.8	-91.7	-102.8	0	0	0	117
16	S	50.9	Low	41.1	Very low	98 Å²	98	77.4 Å²	77.4	69%	0.685	43%	0.427	S	S	*	.				86.1	145.6	59.6	73.8	0	0	0	0	116.1
17	D	49.4	Very low	40.6	Very low	97 Å²	97	83.9 Å²	83.9	52%	0.519	45%	0.454	S	S	.	.			cis	-146.3	-177.8	-10.9	-159.1	-97.1	0	0	0	112.9	Q223 Y226	D17-Q223 PolarHBondContact O-NE2 3.2Å; D17-Q223 PolarHBondContact O-OE1 3.19Å; D17-Y226 WeakPolarHBondContact OD1-CD1 3.35Å
18	E	48	Very low	40.4	Very low	12 Å²	12	89.1 Å²	89.1	6%	0.056	47%	0.474	C	S	.	.				-140.8	0	-126.6	-76.7	-149.2	97.8	0	0	122.2	D219 R222 Q223 Y226 L227	E18-D219 WeakPolarHBondContact OE1-CA 3.29Å; E18-D219 VanDerWaalsContact OE1-O 3.11Å; E18-R222 VanDerWaalsContact CD-C 3.41Å; E18-R222 WeakPolarHBondContact OE1-CB 3.34Å; E18-R222 VanDerWaalsContact OE2-CB 3.22Å; E18-R222 WeakPolarHBondContact OE2-CB 3.46Å; E18-R222 WeakPolarHBondContact OE2-CD 3.45Å; E18-R222 WeakPolarHBondContact OE2-CG 3.26Å; E18-Q223 CarbonylContact C-O 3.37Å; E18-Q223 VanDerWaalsContact CA-CA 3.47Å; E18-Q223 HydrophobicContact CB-CB 4.14Å; E18-Q223 HydrophobicContact CB-CG 4.21Å; E18-Q223 HydrophobicContact CG-CB 4.06Å; E18-Q223 HydrophobicContact CG-CG 3.63Å; E18-Q223 WeakPolarHBondContact OE1-CA 3.48Å; E18-Q223 WeakPolarHBondContact OE1-CG 3.41Å; E18-Q223 PolarHBondContact OE1-N 3.32Å; E18-Y226 CarbonylContact O-C 3.53Å; E18-Y226 VanDerWaalsContact O-CB 3.22Å; E18-Y226 WeakPolarHBondContact O-CB 3.48Å; E18-Y226 WeakPolarHBondContact O-CD1 3.36Å; E18-L227 VanDerWaalsContact O-CG 3.32Å; E18-L227 WeakPolarHBondContact O-CG 3.48Å; E18-L227 PolarHBondContact O-N 3.02Å
19	L	42.9	Very low	40.3	Very low	43 Å²	43	94 Å²	94	23%	0.225	50%	0.5	C	S	.	.				0	0	0	-58.2	169.4	0	0	0	131	Q223 Q224 C225 Y226 L227 F228	L19-Q223 CarbonylContact C-O 3.05Å; L19-Q223 VanDerWaalsContact CA-C 3.44Å; L19-Q223 WeakPolarHBondContact CA-O 3.39Å; L19-Q223 HydrophobicContact CB-CB 4.06Å; L19-Q223 HydrophobicContact CD1-CB 4.27Å; L19-Q223 HydrophobicContact CG-CB 4.2Å; L19-Q223 VanDerWaalsContact N-CA 3.28Å; L19-Q223 PolarHBondContact N-O 3Å; L19-Q224 HydrophobicContact CB-CG 3.91Å; L19-Q224 HydrophobicContact CD1-CG 4.11Å; L19-Q224 CarbonylContact O-C 3.59Å; L19-C225 CarbonylContact O-C 3.42Å; L19-C225 PolarHBondContact O-N 2.93Å; L19-Y226 CarbonylContact O-C 3.54Å; L19-Y226 PolarHBondContact O-N 2.8Å; L19-L227 VanDerWaalsContact C-CB 3.47Å; L19-L227 HydrophobicContact CD2-CD1 4.05Å; L19-L227 CarbonylContact O-C 3.5Å; L19-L227 WeakPolarHBondContact O-CA 3.41Å; L19-L227 WeakPolarHBondContact O-CB 3.46Å; L19-L227 PolarHBondContact O-N 3.44Å; L19-F228 PolarHBondContact O-N 2.85Å
20	N	36.4	Very low	39.9	Very low	23 Å²	23	98.4 Å²	98.4	12%	0.123	52%	0.516	C	S	.	.				0	0	0	-159.6	-14	0	0	0	128.2	Y61 L227 F228 H231	N20-Y61 VanDerWaalsContact C-OH 3.26Å; N20-Y61 HydrophobicContact CB-CD2 3.44Å; N20-Y61 VanDerWaalsContact CB-CD2 3.44Å; N20-Y61 HydrophobicContact CB-CE2 3.38Å; N20-Y61 WeakPolarHBondContact ND2-CD2 3.06Å; N20-Y61 WeakPolarHBondContact O-CE2 3.43Å; N20-Y61 PolarHBondContact O-OH 3.4Å; N20-Y61 WeakPolarHBondContact OD1-CD2 3.47Å; N20-L227 HydrophobicContact CB-CB 4.07Å; N20-L227 PolarHBondContact OD1-O 3.2Å; N20-F228 VanDerWaalsContact C-CA 3.46Å; N20-F228 VanDerWaalsContact CA-N 3.35Å; N20-F228 WeakPolarHBondContact O-CD2 3.44Å; N20-H231 PolarHBondContact ND2-CD2 3.45Å; N20-H231 VanDerWaalsContact ND2-CD2 3.35Å; N20-H231 VanDerWaalsContact ND2-CG 3.34Å; N20-H231 WeakPolarHBondContact OD1-CB 3.43Å
21	E	18.9	Very low	40.2	Very low	47 Å²	47	101.8 Å²	101.8	22%	0.22	54%	0.54	C	S	.	.				0	0	0	158.8	-153.6	137.4	0	0	135.8	Y61 R89 F228 H231 I232	E21-Y61 VanDerWaalsContact CA-CE1 3.5Å; E21-Y61 HydrophobicContact CB-CD1 3.43Å; E21-Y61 VanDerWaalsContact CB-CD1 3.43Å; E21-Y61 HydrophobicContact CB-CD2 4.38Å; E21-Y61 HydrophobicContact CB-CE1 3.22Å; E21-Y61 HydrophobicContact CB-CE2 4.26Å; E21-Y61 HydrophobicContact CB-CG 4.01Å; E21-Y61 HydrophobicContact CG-CD1 3.46Å; E21-Y61 VanDerWaalsContact CG-CD1 3.46Å; E21-Y61 HydrophobicContact CG-CE1 3.4Å; E21-Y61 HydrophobicContact CG-CG 4.4Å; E21-Y61 PolarHBondContact N-OH 3.2Å; E21-Y61 WeakPolarHBondContact O-CE1 3.47Å; E21-Y61 VanDerWaalsContact O-CZ 3.26Å; E21-Y61 PolarHBondContact O-OH 3.41Å; E21-Y61 WeakPolarHBondContact OE1-CD1 2.88Å; E21-Y61 WeakPolarHBondContact OE2-CD1 3.45Å; E21-R89 IonicContact OE1-CZ 3.85Å; E21-R89 IonicContact OE1-NH1 3.84Å; E21-R89 IonicContact OE1-NH2 2.84Å; E21-R89 PolarHBondContact OE1-NH2 3.42Å; E21-F228 VanDerWaalsContact N-CA 3.25Å; E21-F228 WeakPolarHBondContact O-CE2 3.38Å; E21-H231 IonicContact OE2-CE1 3.18Å; E21-H231 IonicContact OE2-ND1 2.78Å; E21-H231 PolarHBondContact OE2-ND1 3.37Å; E21-I232 HydrophobicContact CB-CG1 4.39Å
22	T	12	Very low	40	Very low	51 Å²	51	101.2 Å²	101.2	31%	0.313	54%	0.541	S	S	.	.				0	0	0	-69.2	0	0	0	0	124.2	R89	T22-R89 WeakPolarHBondContact OG1-CD 3.36Å; T22-R89 VanDerWaalsContact OG1-CZ 3.23Å; T22-R89 PolarHBondContact OG1-NE 2.87Å; T22-R89 PolarHBondContact OG1-NH2 2.9Å
23	S	19.4	Very low	39.7	Very low	109 Å²	109	105.2 Å²	105.2	76%	0.762	56%	0.558	S	S	*	*				0	175.3	0	-132.9	0	0	0	0	126.7
24	T	30.7	Very low	39.3	Very low	133 Å²	133	109.7 Å²	109.7	82%	0.816	56%	0.564	S	S	*	*			trans	77.9	159	152.5	-51.9	0	0	0	0	130.5
25	I	36.4	Very low	38.9	Very low	142 Å²	142	111.7 Å²	111.7	73%	0.728	56%	0.56	S	S	*	*			trans	-154.8	150.9	-133.5	-90.9	157.9	0	0	0	123.4
26	Q	30.5	Very low	39	Very low	141 Å²	141	110.6 Å²	110.6	66%	0.659	56%	0.555	S	S	*	*			trans	58.8	123.8	154	-77.7	171.3	49.7	0	0	126.9	Y28	Q26-Y28 HydrophobicContact CB-CE1 4.17Å; Q26-Y28 HydrophobicContact CG-CE1 4.38Å; Q26-Y28 WeakPolarHBondContact CG-OH 3.14Å; Q26-Y28 PolarHBondContact OE1-OH 3.34Å
27	F	38.5	Very low	39.5	Very low	196 Å²	196	117.1 Å²	117.1	86%	0.86	57%	0.565	S	S	*	*			trans	-152.1	163.9	161.5	-158.8	-108.1	0	0	0	114.8
28	Y	42.9	Very low	40.3	Very low	131 Å²	131	124 Å²	124	51%	0.514	58%	0.584	S	S	.	*			trans	-146.3	-167.2	-165.7	-52.8	101.4	0	0	0	112.2	Q26 V31	Q26-Y28 HydrophobicContact CB-CE1 4.17Å; Q26-Y28 HydrophobicContact CG-CE1 4.38Å; Q26-Y28 WeakPolarHBondContact CG-OH 3.14Å; Q26-Y28 PolarHBondContact OE1-OH 3.34Å; Y28-V31 WeakPolarHBondContact O-CG1 3.25Å
29	N	46	Very low	41.5	Very low	120 Å²	120	131.9 Å²	131.9	64%	0.642	62%	0.618	S	S	*	*	S	Bend	cis	-153.7	26.5	0.3	-150.5	0.9	0	0	0	117.7	V31 S32	N29-V31 CarbonylContact C-O 3.27Å; N29-V31 WeakPolarHBondContact CA-O 3.38Å; N29-S32 VanDerWaalsContact C-CB 3.42Å; N29-S32 VanDerWaalsContact C-OG 3.24Å; N29-S32 VanDerWaalsContact O-CB 3.24Å; N29-S32 WeakPolarHBondContact O-CB 3.34Å; N29-S32 PolarHBondContact O-OG 2.99Å; N29-S32 WeakPolarHBondContact OD1-CB 3.42Å
30	K	40.8	Very low	43.4	Very low	179 Å²	179	136 Å²	136	78%	0.778	65%	0.645	S	S	*	*	S	Bend	trans	-141.5	-10.7	171.7	-160.7	169.2	179.3	-178.6	0	120.6	S32 Q33	K30-S32 WeakPolarHBondContact CA-OG 3.29Å; K30-S32 PolarHBondContact O-N 3.44Å; K30-Q33 PolarHBondContact O-N 3.38Å
31	V	53.5	Low	45.8	Very low	109 Å²	109	145.7 Å²	145.7	66%	0.661	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	cis	38.9	22.8	33.5	-177	0	0	0	0	110.7	Y28 N29	Y28-V31 WeakPolarHBondContact O-CG1 3.25Å; N29-V31 CarbonylContact C-O 3.27Å; N29-V31 WeakPolarHBondContact CA-O 3.38Å
32	S	49.5	Very low	48.9	Very low	39 Å²	39	148.1 Å²	148.1	27%	0.273	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	-177.4	-11.8	-176.8	78.6	0	0	0	0	112.8	N29 K30 R35	N29-S32 VanDerWaalsContact C-CB 3.42Å; N29-S32 VanDerWaalsContact C-OG 3.24Å; N29-S32 VanDerWaalsContact O-CB 3.24Å; N29-S32 WeakPolarHBondContact O-CB 3.34Å; N29-S32 PolarHBondContact O-OG 2.99Å; N29-S32 WeakPolarHBondContact OD1-CB 3.42Å; K30-S32 WeakPolarHBondContact CA-OG 3.29Å; K30-S32 PolarHBondContact O-N 3.44Å; S32-R35 WeakPolarHBondContact O-CG 3.42Å; S32-R35 PolarHBondContact O-NE 2.97Å
33	Q	43.2	Very low	52.8	Low	158 Å²	158	151.4 Å²	151.4	74%	0.738	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	-14.7	163.5	-131.9	-156.3	73.4	0	0	114.9	K30 R35	K30-Q33 PolarHBondContact O-N 3.38Å; Q33-R35 PolarHBondContact O-N 3.04Å
34	Q	43.4	Very low	56.4	Low	148 Å²	148	148.3 Å²	148.3	69%	0.692	69%	0.691	S	S	*	*	S	Bend	trans	-63.2	67.9	133.8	-76.5	-172	-6.9	0	0	109	K36	Q34-K36 PolarHBondContact O-N 3.09Å
35	R	37.3	Very low	59.6	Low	189 Å²	189	144.8 Å²	144.8	71%	0.713	67%	0.672	S	S	*	*			trans	-71.6	79.3	169.4	-70.7	175.7	-176.1	-179.4	-3.4	106.2	S32 Q33 R37	S32-R35 WeakPolarHBondContact O-CG 3.42Å; S32-R35 PolarHBondContact O-NE 2.97Å; Q33-R35 PolarHBondContact O-N 3.04Å; R35-R37 VanDerWaalsContact C-N 3.3Å; R35-R37 PolarHBondContact O-N 3.11Å
36	K	48	Very low	62.5	Low	157 Å²	157	144.8 Å²	144.8	68%	0.683	67%	0.673	S	S	*	*			trans	-43.5	100.2	165.6	-69.1	170.9	179.1	172.4	0	105.6	Q34 R38	Q34-K36 PolarHBondContact O-N 3.09Å; K36-R38 PolarHBondContact O-N 2.92Å
37	R	62.4	Low	65.7	Low	235 Å²	235	142.2 Å²	142.2	89%	0.887	67%	0.67	S	S	*	*			trans	-44.8	116.6	-170.2	-69.5	176.7	73.9	-174.6	3.7	106.2	R35 K39	R35-R37 VanDerWaalsContact C-N 3.3Å; R35-R37 PolarHBondContact O-N 3.11Å; R37-K39 WeakPolarHBondContact O-CA 3.24Å; R37-K39 PolarHBondContact O-N 2.91Å
38	R	66.4	Low	68.5	Low	243 Å²	243	134.8 Å²	134.8	92%	0.917	64%	0.638	S	S	*	*			trans	-45.7	110.8	-163.9	-72.5	-175.6	79.6	177.7	5.9	106.8	K36 T40	K36-R38 PolarHBondContact O-N 2.92Å; R38-T40 PolarHBondContact O-N 3.25Å
39	K	72.1	Confident	71.2	Confident	177 Å²	177	131.8 Å²	131.8	77%	0.77	63%	0.63	S	S	*	*			trans	-51.8	122.9	-164.8	-104.7	97	174.8	-155.1	0	107.3	R37 R41	R37-K39 WeakPolarHBondContact O-CA 3.24Å; R37-K39 PolarHBondContact O-N 2.91Å; K39-R41 PolarHBondContact O-N 3.07Å; K39-R41 VanDerWaalsContact O-N 3.12Å
40	T	83.9	Confident	73.6	Confident	130 Å²	130	130.8 Å²	130.8	80%	0.798	63%	0.625	S	S	*	*			trans	-47.7	124.4	178.2	-53.5	0	0	0	0	107.4	R38 T42	R38-T40 PolarHBondContact O-N 3.25Å; T40-T42 PolarHBondContact O-N 2.86Å
41	R	85.1	Confident	76.3	Confident	226 Å²	226	124.4 Å²	124.4	85%	0.853	60%	0.598	S	S	*	*			trans	-60.9	105.6	-174.6	-178.7	-174.1	178.9	-158.1	-0.2	107.9	K39	K39-R41 PolarHBondContact O-N 3.07Å; K39-R41 VanDerWaalsContact O-N 3.12Å
42	T	85.8	Confident	78.4	Confident	97 Å²	97	119.2 Å²	119.2	60%	0.595	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-72.6	134	173.4	43.5	0	0	0	0	108.8	T40	T40-T42 PolarHBondContact O-N 2.86Å
43	T	93.4	Very high	80.8	Confident	120 Å²	120	119.9 Å²	119.9	74%	0.736	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-97.7	129.8	168.5	48	0	0	0	0	107.8
44	F	95.7	Very high	83.3	Confident	45 Å²	45	115.8 Å²	115.8	20%	0.197	55%	0.548	C	S	.	.	P	Polyproline II helix	trans	-68.8	148.9	168.7	-56.8	-61.1	0	0	0	109.6	Q48 L49 L76 Q80 W84	F44-Q48 HydrophobicContact CB-CB 4.06Å; F44-L49 HydrophobicContact CB-CD2 3.9Å; F44-L49 HydrophobicContact CB-CG 3.95Å; F44-L49 HydrophobicContact CD2-CD2 4.12Å; F44-L49 HydrophobicContact CG-CD2 4.46Å; F44-L76 HydrophobicContact CD1-CD1 3.93Å; F44-L76 HydrophobicContact CD1-CD2 3.79Å; F44-L76 HydrophobicContact CE1-CD1 3.79Å; F44-L76 HydrophobicContact CE1-CD2 3.71Å; F44-L76 HydrophobicContact CE1-CG 4.39Å; F44-Q80 HydrophobicContact CE1-CB 4.14Å; F44-Q80 HydrophobicContact CE1-CG 4.36Å; F44-Q80 HydrophobicContact CZ-CB 4.08Å; F44-Q80 HydrophobicContact CZ-CG 4.38Å; F44-W84 AromaticContact CD2-CD1 3.82Å; F44-W84 HydrophobicContact CE2-CB 4.24Å; F44-W84 AromaticContact CE2-CD1 3.69Å; F44-W84 HydrophobicContact CE2-CG 4.33Å
45	S	97.4	Very high	85.8	Confident	59 Å²	59	109.5 Å²	109.5	41%	0.413	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-71.5	160.3	173.3	74.5	0	0	0	0	111.1	C47 Q48 L49	S45-C47 PolarHBondContact O-N 3.49Å; S45-Q48 PolarHBondContact O-N 3.03Å; S45-Q48 VanDerWaalsContact O-N 3.07Å; S45-Q48 WeakPolarHBondContact OG-CG 3.14Å; S45-Q48 PolarHBondContact OG-N 3.46Å; S45-L49 WeakPolarHBondContact O-CG 3.09Å; S45-L49 PolarHBondContact O-N 2.9Å
46	N	97.5	Very high	88.7	Confident	141 Å²	141	100.5 Å²	100.5	75%	0.754	49%	0.486	S	S	*	.	H	α-helix	trans	-58.5	-33.9	177.4	-66.9	-8.5	0	0	0	112.3	L49 N50	N46-L49 PolarHBondContact O-N 3.32Å; N46-N50 WeakPolarHBondContact O-CB 3.37Å; N46-N50 PolarHBondContact O-N 3.29Å
47	C	97.2	Very high	90.9	Very high	88 Å²	88	94.9 Å²	94.9	60%	0.595	46%	0.463	S	S	*	.	H	α-helix	trans	-65.3	-47.3	173.2	178.4	0	0	0	0	111.9	S45 L49 N50 E51	S45-C47 PolarHBondContact O-N 3.49Å; C47-L49 VanDerWaalsContact C-N 3.31Å; C47-L49 PolarHBondContact O-N 3.07Å; C47-N50 PolarHBondContact O-N 3.19Å; C47-E51 PolarHBondContact O-N 3.48Å
48	Q	97.9	Very high	92.4	Very high	40 Å²	40	90.9 Å²	90.9	19%	0.187	45%	0.448	C	S	.	.	H	α-helix	trans	-60.6	-40.3	174.8	-72.2	172.1	-29.7	0	0	111.9	F44 S45 L52 L74	F44-Q48 HydrophobicContact CB-CB 4.06Å; S45-Q48 PolarHBondContact O-N 3.03Å; S45-Q48 VanDerWaalsContact O-N 3.07Å; S45-Q48 WeakPolarHBondContact OG-CG 3.14Å; S45-Q48 PolarHBondContact OG-N 3.46Å; Q48-L52 WeakPolarHBondContact O-CB 3.38Å; Q48-L52 WeakPolarHBondContact O-CD1 3.4Å; Q48-L52 WeakPolarHBondContact O-CG 3.22Å; Q48-L52 PolarHBondContact O-N 3.3Å; Q48-L74 HydrophobicContact CG-CB 4.38Å; Q48-L74 PolarHBondContact NE2-O 3.1Å
49	L	97.8	Very high	93.6	Very high	67 Å²	67	81.5 Å²	81.5	35%	0.351	41%	0.414	S	S	.	.	H	α-helix	trans	-65.5	-42.2	176.2	-69.5	173.2	0	0	0	112.1	F44 S45 N46 C47 L52 E53	F44-L49 HydrophobicContact CB-CD2 3.9Å; F44-L49 HydrophobicContact CB-CG 3.95Å; F44-L49 HydrophobicContact CD2-CD2 4.12Å; F44-L49 HydrophobicContact CG-CD2 4.46Å; S45-L49 WeakPolarHBondContact O-CG 3.09Å; S45-L49 PolarHBondContact O-N 2.9Å; N46-L49 PolarHBondContact O-N 3.32Å; C47-L49 VanDerWaalsContact C-N 3.31Å; C47-L49 PolarHBondContact O-N 3.07Å; L49-L52 PolarHBondContact O-N 3.39Å; L49-E53 WeakPolarHBondContact O-CB 3.48Å; L49-E53 PolarHBondContact O-N 3.49Å
50	N	97.8	Very high	94.6	Very high	99 Å²	99	74.8 Å²	74.8	53%	0.529	38%	0.384	S	S	.	.	H	α-helix	trans	-59.5	-48.5	176	-172.8	81.1	0	0	0	111.4	N46 C47 E53 N54	N46-N50 WeakPolarHBondContact O-CB 3.37Å; N46-N50 PolarHBondContact O-N 3.29Å; C47-N50 PolarHBondContact O-N 3.19Å; N50-E53 PolarHBondContact O-N 3.35Å; N50-N54 VanDerWaalsContact O-CB 3.27Å; N50-N54 WeakPolarHBondContact O-CB 3.39Å; N50-N54 PolarHBondContact O-N 2.97Å
51	E	97.7	Very high	95.2	Very high	45 Å²	45	69.2 Å²	69.2	21%	0.21	35%	0.348	C	S	.	.	H	α-helix	trans	-71.4	-31.6	-179.6	-71.9	-45	120.8	0	0	113.9	C47 N54 N55 L74	C47-E51 PolarHBondContact O-N 3.48Å; E51-N54 PolarHBondContact OE2-ND2 3.23Å; E51-N55 WeakPolarHBondContact O-CB 3.32Å; E51-N55 PolarHBondContact O-N 3.28Å; E51-N55 PolarHBondContact O-ND2 3.21Å; E51-L74 HydrophobicContact CB-CD1 4.04Å; E51-L74 HydrophobicContact CB-CD2 3.6Å; E51-L74 HydrophobicContact CB-CG 4.43Å; E51-L74 HydrophobicContact CG-CD2 4.01Å
52	L	98.1	Very high	95.5	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-43	171.3	-72.8	165.2	0	0	0	111.1	Q48 L49 F56 I70 L74 L76 V81 W84 F85	Q48-L52 WeakPolarHBondContact O-CB 3.38Å; Q48-L52 WeakPolarHBondContact O-CD1 3.4Å; Q48-L52 WeakPolarHBondContact O-CG 3.22Å; Q48-L52 PolarHBondContact O-N 3.3Å; L49-L52 PolarHBondContact O-N 3.39Å; L52-F56 VanDerWaalsContact O-CB 3.26Å; L52-F56 WeakPolarHBondContact O-CB 3.28Å; L52-F56 PolarHBondContact O-N 3Å; L52-I70 HydrophobicContact CD2-CG2 3.99Å; L52-L74 HydrophobicContact CD1-CD1 4.5Å; L52-L74 HydrophobicContact CD2-CD1 3.89Å; L52-L74 HydrophobicContact CG-CD1 3.72Å; L52-L76 HydrophobicContact CD1-CD1 4.06Å; L52-V81 HydrophobicContact CD2-CG1 4.28Å; L52-W84 VanDerWaalsContact C-CH2 3.44Å; L52-W84 HydrophobicContact CB-CD2 3.76Å; L52-W84 HydrophobicContact CB-CE3 3.84Å; L52-W84 HydrophobicContact CB-CG 4.5Å; L52-W84 HydrophobicContact CB-CH2 3.8Å; L52-W84 HydrophobicContact CB-CZ2 3.66Å; L52-W84 HydrophobicContact CB-CZ3 3.88Å; L52-W84 HydrophobicContact CD1-CB 4.39Å; L52-W84 HydrophobicContact CD1-CD2 3.94Å; L52-W84 HydrophobicContact CD1-CG 3.78Å; L52-W84 HydrophobicContact CD2-CD2 4.31Å; L52-W84 HydrophobicContact CD2-CE3 4.2Å; L52-W84 HydrophobicContact CG-CD2 4.21Å; L52-W84 HydrophobicContact CG-CE3 4.43Å; L52-W84 WeakPolarHBondContact O-CH2 2.8Å; L52-W84 WeakPolarHBondContact O-CZ3 3.11Å; L52-F85 HydrophobicContact CD2-CD2 4.43Å; L52-F85 HydrophobicContact CD2-CE2 3.85Å
53	E	98.2	Very high	95.9	Very high	54 Å²	54	57.1 Å²	57.1	25%	0.252	30%	0.298	S	S	.	.	H	α-helix	trans	-68.8	-40.6	176.6	-163.4	70.6	-165.5	0	0	112.1	L49 N50 F56 N57 W84 R88	L49-E53 WeakPolarHBondContact O-CB 3.48Å; L49-E53 PolarHBondContact O-N 3.49Å; N50-E53 PolarHBondContact O-N 3.35Å; E53-F56 WeakPolarHBondContact O-CB 3.36Å; E53-F56 PolarHBondContact O-N 2.86Å; E53-N57 WeakPolarHBondContact O-CB 3.26Å; E53-N57 PolarHBondContact O-N 3.45Å; E53-N57 PolarHBondContact O-ND2 3.05Å; E53-W84 HydrophobicContact CB-CH2 4.46Å; E53-W84 WeakPolarHBondContact OE2-CH2 3.42Å; E53-W84 WeakPolarHBondContact OE2-CZ2 3.15Å; E53-R88 VanDerWaalsContact CD-NE 3.28Å; E53-R88 IonicContact OE1-CZ 2.74Å; E53-R88 IonicContact OE1-NE 3.56Å; E53-R88 PolarHBondContact OE1-NE 3.07Å; E53-R88 IonicContact OE1-NH2 3.26Å; E53-R88 PolarHBondContact OE1-NH2 3.39Å; E53-R88 VanDerWaalsContact OE2-CD 3.28Å; E53-R88 WeakPolarHBondContact OE2-CD 3.33Å; E53-R88 IonicContact OE2-NE 2.79Å; E53-R88 PolarHBondContact OE2-NE 2.7Å
54	N	96.9	Very high	96	Very high	72 Å²	72	54.7 Å²	54.7	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-56.5	-51.5	172.5	-179.3	20.6	0	0	0	111.3	N50 E51 F56 N57 R58	N50-N54 VanDerWaalsContact O-CB 3.27Å; N50-N54 WeakPolarHBondContact O-CB 3.39Å; N50-N54 PolarHBondContact O-N 2.97Å; E51-N54 PolarHBondContact OE2-ND2 3.23Å; N54-F56 VanDerWaalsContact C-N 3.33Å; N54-F56 PolarHBondContact O-N 3.26Å; N54-N57 PolarHBondContact O-N 2.75Å; N54-R58 WeakPolarHBondContact O-CG 3.14Å; N54-R58 PolarHBondContact O-N 2.94Å; N54-R58 VanDerWaalsContact O-N 3.15Å
55	N	96.2	Very high	96	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.08	29%	0.291	C	S	.	.	H	α-helix	trans	-67.1	-33.1	177	-77	-90	0	0	0	112.2	E51 R58 Q59 I70 F85	E51-N55 WeakPolarHBondContact O-CB 3.32Å; E51-N55 PolarHBondContact O-N 3.28Å; E51-N55 PolarHBondContact O-ND2 3.21Å; N55-R58 PolarHBondContact O-N 2.85Å; N55-Q59 CarbonylContact O-C 3.49Å; N55-Q59 WeakPolarHBondContact O-CA 3.06Å; N55-Q59 PolarHBondContact O-N 2.97Å; N55-I70 HydrophobicContact CB-CD1 3.69Å; N55-I70 HydrophobicContact CB-CG1 4.4Å; N55-F85 HydrophobicContact CB-CZ 4.24Å
56	F	97.1	Very high	95.9	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-42.5	174.5	-176.2	-102.3	0	0	0	113.3	L52 E53 N54 R58 Q59 R60 W84 F85 R88 R89 L92	L52-F56 VanDerWaalsContact O-CB 3.26Å; L52-F56 WeakPolarHBondContact O-CB 3.28Å; L52-F56 PolarHBondContact O-N 3Å; E53-F56 WeakPolarHBondContact O-CB 3.36Å; E53-F56 PolarHBondContact O-N 2.86Å; N54-F56 VanDerWaalsContact C-N 3.33Å; N54-F56 PolarHBondContact O-N 3.26Å; F56-R58 VanDerWaalsContact C-N 3.32Å; F56-R58 PolarHBondContact O-N 3.34Å; F56-Q59 CarbonylContact O-C 2.88Å; F56-Q59 VanDerWaalsContact O-C 3.27Å; F56-Q59 PolarHBondContact O-N 2.86Å; F56-R60 HydrophobicContact CD1-CG 4.42Å; F56-R60 HydrophobicContact CD2-CB 4.24Å; F56-R60 HydrophobicContact CD2-CG 4.26Å; F56-R60 HydrophobicContact CE1-CG 4Å; F56-R60 HydrophobicContact CE2-CB 3.75Å; F56-R60 HydrophobicContact CE2-CG 3.8Å; F56-R60 HydrophobicContact CZ-CB 4.09Å; F56-R60 HydrophobicContact CZ-CG 3.66Å; F56-R60 WeakPolarHBondContact O-CG 3.49Å; F56-R60 PolarHBondContact O-N 2.94Å; F56-W84 HydrophobicContact CB-CH2 3.92Å; F56-W84 HydrophobicContact CB-CZ3 3.84Å; F56-W84 HydrophobicContact CD2-CZ3 4.22Å; F56-W84 HydrophobicContact CG-CH2 4.31Å; F56-W84 HydrophobicContact CG-CZ3 4.19Å; F56-F85 HydrophobicContact CB-CE1 4.03Å; F56-F85 HydrophobicContact CB-CZ 4.22Å; F56-F85 AromaticContact CD2-CD1 3.78Å; F56-F85 HydrophobicContact CD2-CD1 3.78Å; F56-F85 AromaticContact CD2-CE1 3.81Å; F56-F85 HydrophobicContact CD2-CE1 3.81Å; F56-F85 HydrophobicContact CG-CE1 4.44Å; F56-R88 HydrophobicContact CD1-CG 3.57Å; F56-R88 HydrophobicContact CD2-CB 4.29Å; F56-R88 HydrophobicContact CD2-CG 3.81Å; F56-R88 HydrophobicContact CE1-CG 3.53Å; F56-R88 HydrophobicContact CE2-CB 4.21Å; F56-R88 HydrophobicContact CE2-CG 3.79Å; F56-R88 HydrophobicContact CG-CG 3.71Å; F56-R88 HydrophobicContact CZ-CB 4.42Å; F56-R88 HydrophobicContact CZ-CG 3.65Å; F56-R89 HydrophobicContact CE2-CG 3.55Å; F56-R89 HydrophobicContact CZ-CG 3.89Å; F56-L92 HydrophobicContact CE1-CD2 4.13Å; F56-L92 HydrophobicContact CZ-CD2 3.98Å
57	N	94.5	Very high	95.9	Very high	38 Å²	38	49.6 Å²	49.6	20%	0.203	25%	0.252	C	S	.	.	H	α-helix	trans	-65.6	-37.2	178.6	-72	-16.9	0	0	0	111.4	E53 N54 N202	E53-N57 WeakPolarHBondContact O-CB 3.26Å; E53-N57 PolarHBondContact O-N 3.45Å; E53-N57 PolarHBondContact O-ND2 3.05Å; N54-N57 PolarHBondContact O-N 2.75Å; N57-N202 PolarHBondContact ND2-OD1 3.32Å
58	R	93.9	Very high	95.9	Very high	151 Å²	151	47.8 Å²	47.8	57%	0.57	24%	0.237	S	C	*	.	H	α-helix	trans	-70.2	-41.1	170.9	-65.9	175.4	69.5	-119.9	-3.6	112.7	N54 N55 F56	N54-R58 WeakPolarHBondContact O-CG 3.14Å; N54-R58 PolarHBondContact O-N 2.94Å; N54-R58 VanDerWaalsContact O-N 3.15Å; N55-R58 PolarHBondContact O-N 2.85Å; F56-R58 VanDerWaalsContact C-N 3.32Å; F56-R58 PolarHBondContact O-N 3.34Å
59	Q	91.8	Very high	95.9	Very high	47 Å²	47	51.1 Å²	51.1	22%	0.22	25%	0.248	C	C	.	.			trans	-155.5	96.1	-168.2	-179.5	-177.5	2.1	0	0	110.5	N55 F56 Y61 D66 F85	N55-Q59 CarbonylContact O-C 3.49Å; N55-Q59 WeakPolarHBondContact O-CA 3.06Å; N55-Q59 PolarHBondContact O-N 2.97Å; F56-Q59 CarbonylContact O-C 2.88Å; F56-Q59 VanDerWaalsContact O-C 3.27Å; F56-Q59 PolarHBondContact O-N 2.86Å; Q59-Y61 WeakPolarHBondContact CG-O 3.3Å; Q59-Y61 PolarHBondContact NE2-O 2.89Å; Q59-Y61 PolarHBondContact O-N 3.44Å; Q59-D66 PolarHBondContact NE2-OD2 3.29Å; Q59-D66 VanDerWaalsContact OE1-CG 3.28Å; Q59-D66 PolarHBondContact OE1-OD2 3.16Å; Q59-F85 WeakPolarHBondContact O-CE1 2.96Å
60	R	93.5	Very high	95.9	Very high	35 Å²	35	48.1 Å²	48.1	13%	0.132	23%	0.232	C	C	.	.	S	Bend	trans	-64.4	-11.3	-179	-65.7	172.3	172.5	63.1	-9.6	114.1	F56 R89 Q224	F56-R60 HydrophobicContact CD1-CG 4.42Å; F56-R60 HydrophobicContact CD2-CB 4.24Å; F56-R60 HydrophobicContact CD2-CG 4.26Å; F56-R60 HydrophobicContact CE1-CG 4Å; F56-R60 HydrophobicContact CE2-CB 3.75Å; F56-R60 HydrophobicContact CE2-CG 3.8Å; F56-R60 HydrophobicContact CZ-CB 4.09Å; F56-R60 HydrophobicContact CZ-CG 3.66Å; F56-R60 WeakPolarHBondContact O-CG 3.49Å; F56-R60 PolarHBondContact O-N 2.94Å; R60-R89 PolarHBondContact O-NH1 2.94Å; R60-Q224 VanDerWaalsContact NH2-CD 3.31Å
61	Y	95.4	Very high	95.9	Very high	13 Å²	13	43.7 Å²	43.7	5%	0.051	21%	0.209	C	C	.	.	S	Bend	trans	-139.6	107.8	-171	-57.6	-73	0	0	0	111.2	N20 E21 Q59 R89	N20-Y61 VanDerWaalsContact C-OH 3.26Å; N20-Y61 HydrophobicContact CB-CD2 3.44Å; N20-Y61 VanDerWaalsContact CB-CD2 3.44Å; N20-Y61 HydrophobicContact CB-CE2 3.38Å; N20-Y61 WeakPolarHBondContact ND2-CD2 3.06Å; N20-Y61 WeakPolarHBondContact O-CE2 3.43Å; N20-Y61 PolarHBondContact O-OH 3.4Å; N20-Y61 WeakPolarHBondContact OD1-CD2 3.47Å; E21-Y61 VanDerWaalsContact CA-CE1 3.5Å; E21-Y61 HydrophobicContact CB-CD1 3.43Å; E21-Y61 VanDerWaalsContact CB-CD1 3.43Å; E21-Y61 HydrophobicContact CB-CD2 4.38Å; E21-Y61 HydrophobicContact CB-CE1 3.22Å; E21-Y61 HydrophobicContact CB-CE2 4.26Å; E21-Y61 HydrophobicContact CB-CG 4.01Å; E21-Y61 HydrophobicContact CG-CD1 3.46Å; E21-Y61 VanDerWaalsContact CG-CD1 3.46Å; E21-Y61 HydrophobicContact CG-CE1 3.4Å; E21-Y61 HydrophobicContact CG-CG 4.4Å; E21-Y61 PolarHBondContact N-OH 3.2Å; E21-Y61 WeakPolarHBondContact O-CE1 3.47Å; E21-Y61 VanDerWaalsContact O-CZ 3.26Å; E21-Y61 PolarHBondContact O-OH 3.41Å; E21-Y61 WeakPolarHBondContact OE1-CD1 2.88Å; E21-Y61 WeakPolarHBondContact OE2-CD1 3.45Å; Q59-Y61 WeakPolarHBondContact CG-O 3.3Å; Q59-Y61 PolarHBondContact NE2-O 2.89Å; Q59-Y61 PolarHBondContact O-N 3.44Å; Y61-R89 HydrophobicContact CE1-CG 4.4Å; Y61-R89 VanDerWaalsContact CE1-NH1 3.26Å; Y61-R89 WeakPolarHBondContact OH-CD 3.43Å
62	L	92.7	Very high	95.9	Very high	34 Å²	34	49.9 Å²	49.9	18%	0.178	24%	0.235	C	C	.	.			trans	-80.4	128.4	-174.3	-57.1	-176.2	0	0	0	111	D66 R67 I70 V81 F85	L62-D66 HydrophobicContact CB-CB 4.21Å; L62-D66 HydrophobicContact CD2-CB 4.03Å; L62-R67 HydrophobicContact CB-CB 4.13Å; L62-R67 HydrophobicContact CD1-CB 4.24Å; L62-I70 HydrophobicContact CD1-CD1 3.85Å; L62-I70 HydrophobicContact CD2-CD1 3.53Å; L62-I70 HydrophobicContact CG-CD1 4.35Å; L62-V81 HydrophobicContact CD1-CG1 3.39Å; L62-F85 HydrophobicContact CD1-CD1 4.26Å; L62-F85 HydrophobicContact CD1-CD2 3.79Å; L62-F85 HydrophobicContact CD1-CE1 4.14Å; L62-F85 HydrophobicContact CD1-CE2 3.68Å; L62-F85 HydrophobicContact CD1-CG 4.12Å; L62-F85 HydrophobicContact CD1-CZ 3.88Å; L62-F85 HydrophobicContact CD2-CD1 4.26Å; L62-F85 HydrophobicContact CD2-CE1 3.6Å; L62-F85 HydrophobicContact CD2-CE2 4.35Å; L62-F85 HydrophobicContact CD2-CZ 3.68Å; L62-F85 HydrophobicContact CG-CD1 3.89Å; L62-F85 HydrophobicContact CG-CD2 4.32Å; L62-F85 HydrophobicContact CG-CE1 3.73Å; L62-F85 HydrophobicContact CG-CE2 4.21Å; L62-F85 HydrophobicContact CG-CG 4.2Å; L62-F85 HydrophobicContact CG-CZ 3.93Å
63	T	93.9	Very high	95.9	Very high	35 Å²	35	56.3 Å²	56.3	22%	0.215	27%	0.265	C	S	.	.			trans	-62	163	161.7	75	0	0	0	0	109.5	T65 D66 R67	T63-T65 PolarHBondContact O-N 3.24Å; T63-T65 VanDerWaalsContact O-N 3.15Å; T63-T65 PolarHBondContact OG1-N 3.49Å; T63-D66 WeakPolarHBondContact CB-OD2 3.22Å; T63-D66 VanDerWaalsContact CG2-OD2 3.24Å; T63-D66 WeakPolarHBondContact CG2-OD2 3.24Å; T63-D66 PolarHBondContact N-OD2 2.74Å; T63-D66 PolarHBondContact O-N 3.31Å; T63-D66 PolarHBondContact OG1-N 3.45Å; T63-D66 PolarHBondContact OG1-OD2 2.58Å; T63-R67 WeakPolarHBondContact O-CB 2.88Å; T63-R67 PolarHBondContact O-N 3.31Å
64	P	95	Very high	95.9	Very high	70 Å²	70	54.5 Å²	54.5	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-52.7	-34.7	171.5	-27.6	36.2	0	0	0	113.1	R67 D68	P64-R67 PolarHBondContact O-NH2 3.01Å; P64-D68 WeakPolarHBondContact O-CB 3.34Å; P64-D68 PolarHBondContact O-N 3.22Å
65	T	95.7	Very high	95.9	Very high	55 Å²	55	54.4 Å²	54.4	34%	0.337	27%	0.273	S	S	.	.	H	α-helix	trans	-71.5	-46.4	177.3	-67	0	0	0	0	112.1	T63 R67 D68 R69 Q167	T63-T65 PolarHBondContact O-N 3.24Å; T63-T65 VanDerWaalsContact O-N 3.15Å; T63-T65 PolarHBondContact OG1-N 3.49Å; T65-R67 VanDerWaalsContact C-N 3.34Å; T65-R67 PolarHBondContact O-N 3.43Å; T65-D68 PolarHBondContact O-N 2.86Å; T65-R69 WeakPolarHBondContact O-CB 3.29Å; T65-R69 PolarHBondContact O-N 3.35Å; T65-Q167 HydrophobicContact CG2-CG 4.48Å; T65-Q167 VanDerWaalsContact CG2-NE2 3.25Å; T65-Q167 WeakPolarHBondContact OG1-CG 3.48Å; T65-Q167 PolarHBondContact OG1-NE2 2.79Å; T65-Q167 VanDerWaalsContact OG1-NE2 3.09Å
66	D	95.2	Very high	95.9	Very high	20 Å²	20	54.5 Å²	54.5	11%	0.107	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-40.5	-179.5	-61.8	-64.2	0	0	0	111.5	Q59 L62 T63 D68 R69 I70	Q59-D66 PolarHBondContact NE2-OD2 3.29Å; Q59-D66 VanDerWaalsContact OE1-CG 3.28Å; Q59-D66 PolarHBondContact OE1-OD2 3.16Å; L62-D66 HydrophobicContact CB-CB 4.21Å; L62-D66 HydrophobicContact CD2-CB 4.03Å; T63-D66 WeakPolarHBondContact CB-OD2 3.22Å; T63-D66 VanDerWaalsContact CG2-OD2 3.24Å; T63-D66 WeakPolarHBondContact CG2-OD2 3.24Å; T63-D66 PolarHBondContact N-OD2 2.74Å; T63-D66 PolarHBondContact O-N 3.31Å; T63-D66 PolarHBondContact OG1-N 3.45Å; T63-D66 PolarHBondContact OG1-OD2 2.58Å; D66-D68 PolarHBondContact O-N 2.81Å; D66-R69 PolarHBondContact O-N 2.86Å; D66-R69 IonicContact OD1-CZ 3.57Å; D66-R69 IonicContact OD1-NH1 2.73Å; D66-R69 PolarHBondContact OD1-NH1 3.33Å; D66-R69 IonicContact OD1-NH2 2.75Å; D66-R69 PolarHBondContact OD1-NH2 3.07Å; D66-I70 WeakPolarHBondContact O-CB 3.24Å; D66-I70 WeakPolarHBondContact O-CD1 3.32Å; D66-I70 VanDerWaalsContact O-CG1 3.27Å; D66-I70 WeakPolarHBondContact O-CG1 3.4Å; D66-I70 PolarHBondContact O-N 2.73Å
67	R	97.6	Very high	95.9	Very high	62 Å²	62	58 Å²	58	23%	0.234	30%	0.295	C	S	.	.	H	α-helix	trans	-54.2	-52.1	171.5	178.7	-160	68	-148.5	-4.9	111	L62 T63 P64 T65 R69 I70 A71 N78 I82	L62-R67 HydrophobicContact CB-CB 4.13Å; L62-R67 HydrophobicContact CD1-CB 4.24Å; T63-R67 WeakPolarHBondContact O-CB 2.88Å; T63-R67 PolarHBondContact O-N 3.31Å; P64-R67 PolarHBondContact O-NH2 3.01Å; T65-R67 VanDerWaalsContact C-N 3.34Å; T65-R67 PolarHBondContact O-N 3.43Å; R67-R69 VanDerWaalsContact C-N 3.32Å; R67-R69 PolarHBondContact O-N 3.16Å; R67-I70 PolarHBondContact O-N 2.61Å; R67-A71 WeakPolarHBondContact O-CB 3.27Å; R67-A71 PolarHBondContact O-N 3.32Å; R67-N78 HydrophobicContact CG-CB 4.24Å; R67-N78 PolarHBondContact NE-ND2 3.23Å; R67-I82 HydrophobicContact CG-CG1 4.27Å
68	D	97.8	Very high	96.1	Very high	51 Å²	51	58.9 Å²	58.9	27%	0.273	30%	0.3	S	S	.	.	H	α-helix	trans	-68.7	-31.8	-177.1	-68	-0.5	0	0	0	112	P64 T65 D66 K72 N78	P64-D68 WeakPolarHBondContact O-CB 3.34Å; P64-D68 PolarHBondContact O-N 3.22Å; T65-D68 PolarHBondContact O-N 2.86Å; D66-D68 PolarHBondContact O-N 2.81Å; D68-K72 WeakPolarHBondContact O-CB 3.46Å; D68-K72 WeakPolarHBondContact O-CD 3.34Å; D68-K72 WeakPolarHBondContact O-CG 3.47Å; D68-K72 PolarHBondContact O-N 2.9Å; D68-N78 VanDerWaalsContact OD1-CG 3.24Å; D68-N78 PolarHBondContact OD1-ND2 2.75Å; D68-N78 PolarHBondContact OD1-OD1 3.21Å
69	R	97.9	Very high	96.2	Very high	110 Å²	110	56.3 Å²	56.3	42%	0.415	30%	0.301	S	S	.	.	H	α-helix	trans	-65.5	-52.1	172	-175.3	-178.1	67.9	-117.7	-8.4	111.4	T65 D66 R67 K72 H73	T65-R69 WeakPolarHBondContact O-CB 3.29Å; T65-R69 PolarHBondContact O-N 3.35Å; D66-R69 PolarHBondContact O-N 2.86Å; D66-R69 IonicContact OD1-CZ 3.57Å; D66-R69 IonicContact OD1-NH1 2.73Å; D66-R69 PolarHBondContact OD1-NH1 3.33Å; D66-R69 IonicContact OD1-NH2 2.75Å; D66-R69 PolarHBondContact OD1-NH2 3.07Å; R67-R69 VanDerWaalsContact C-N 3.32Å; R67-R69 PolarHBondContact O-N 3.16Å; R69-K72 PolarHBondContact O-N 2.87Å; R69-H73 VanDerWaalsContact O-CB 3.32Å; R69-H73 WeakPolarHBondContact O-CB 3.29Å; R69-H73 PolarHBondContact O-N 2.83Å
70	I	97.5	Very high	96.4	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-41.3	-177.6	-67.9	162.7	0	0	0	110.8	L52 N55 L62 D66 R67 H73 L74 V81	L52-I70 HydrophobicContact CD2-CG2 3.99Å; N55-I70 HydrophobicContact CB-CD1 3.69Å; N55-I70 HydrophobicContact CB-CG1 4.4Å; L62-I70 HydrophobicContact CD1-CD1 3.85Å; L62-I70 HydrophobicContact CD2-CD1 3.53Å; L62-I70 HydrophobicContact CG-CD1 4.35Å; D66-I70 WeakPolarHBondContact O-CB 3.24Å; D66-I70 WeakPolarHBondContact O-CD1 3.32Å; D66-I70 VanDerWaalsContact O-CG1 3.27Å; D66-I70 WeakPolarHBondContact O-CG1 3.4Å; D66-I70 PolarHBondContact O-N 2.73Å; R67-I70 PolarHBondContact O-N 2.61Å; I70-H73 PolarHBondContact O-N 2.86Å; I70-L74 HydrophobicContact CG2-CD1 3.79Å; I70-L74 HydrophobicContact CG2-CG 4.32Å; I70-L74 WeakPolarHBondContact O-CB 3.38Å; I70-L74 WeakPolarHBondContact O-CG 3.39Å; I70-L74 PolarHBondContact O-N 2.76Å; I70-V81 HydrophobicContact CB-CG1 4.38Å; I70-V81 HydrophobicContact CG2-CG1 3.88Å; I70-V81 HydrophobicContact CG2-CG2 4.22Å
71	A	98.1	Very high	96.6	Very high	6 Å²	6	55 Å²	55	5%	0.05	30%	0.296	C	S	.	.	H	α-helix	trans	-57	-50.9	174.9	0	0	0	0	0	111.9	R67 G75 L76 N78 V81	R67-A71 WeakPolarHBondContact O-CB 3.27Å; R67-A71 PolarHBondContact O-N 3.32Å; A71-G75 PolarHBondContact O-N 2.91Å; A71-L76 CarbonylContact C-O 3.46Å; A71-L76 WeakPolarHBondContact CA-O 3.19Å; A71-L76 VanDerWaalsContact CB-O 3.31Å; A71-L76 WeakPolarHBondContact CB-O 3.4Å; A71-L76 PolarHBondContact O-N 3.42Å; A71-L76 VanDerWaalsContact O-O 3.08Å; A71-N78 WeakPolarHBondContact CB-OD1 3.43Å; A71-V81 HydrophobicContact CB-CG2 4.05Å
72	K	97.8	Very high	96.7	Very high	176 Å²	176	57.6 Å²	57.6	77%	0.765	31%	0.31	S	S	*	.	H	α-helix	trans	-61.5	-46.9	176	-72.4	169.8	-175.2	175	0	112.2	D68 R69 L74	D68-K72 WeakPolarHBondContact O-CB 3.46Å; D68-K72 WeakPolarHBondContact O-CD 3.34Å; D68-K72 WeakPolarHBondContact O-CG 3.47Å; D68-K72 PolarHBondContact O-N 2.9Å; R69-K72 PolarHBondContact O-N 2.87Å; K72-L74 PolarHBondContact O-N 3.44Å
73	H	97.4	Very high	96.8	Very high	134 Å²	134	58.9 Å²	58.9	62%	0.62	32%	0.32	S	S	*	.	H	α-helix	trans	-64.3	-39	-176.2	-177	62.5	0	0	0	113	R69 I70	R69-H73 VanDerWaalsContact O-CB 3.32Å; R69-H73 WeakPolarHBondContact O-CB 3.29Å; R69-H73 PolarHBondContact O-N 2.83Å; I70-H73 PolarHBondContact O-N 2.86Å
74	L	97.1	Very high	97	Very high	17 Å²	17	58.6 Å²	58.6	9%	0.089	31%	0.314	C	S	.	.	H	α-helix	trans	-94.9	0.3	-175.8	-58.8	-175.1	0	0	0	114.5	Q48 E51 L52 I70 K72 L76	Q48-L74 HydrophobicContact CG-CB 4.38Å; Q48-L74 PolarHBondContact NE2-O 3.1Å; E51-L74 HydrophobicContact CB-CD1 4.04Å; E51-L74 HydrophobicContact CB-CD2 3.6Å; E51-L74 HydrophobicContact CB-CG 4.43Å; E51-L74 HydrophobicContact CG-CD2 4.01Å; L52-L74 HydrophobicContact CD1-CD1 4.5Å; L52-L74 HydrophobicContact CD2-CD1 3.89Å; L52-L74 HydrophobicContact CG-CD1 3.72Å; I70-L74 HydrophobicContact CG2-CD1 3.79Å; I70-L74 HydrophobicContact CG2-CG 4.32Å; I70-L74 WeakPolarHBondContact O-CB 3.38Å; I70-L74 WeakPolarHBondContact O-CG 3.39Å; I70-L74 PolarHBondContact O-N 2.76Å; K72-L74 PolarHBondContact O-N 3.44Å; L74-L76 VanDerWaalsContact C-N 3.3Å; L74-L76 HydrophobicContact CB-CD1 4.02Å; L74-L76 HydrophobicContact CB-CG 3.91Å; L74-L76 HydrophobicContact CD1-CD1 4.37Å; L74-L76 PolarHBondContact O-N 3.03Å
75	G	97.3	Very high	97.2	Very high	69 Å²	69	55.4 Å²	55.4	71%	0.711	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	32.1	-174.7	0	0	0	0	0	113.2	A71	A71-G75 PolarHBondContact O-N 2.91Å
76	L	96.9	Very high	97.2	Very high	17 Å²	17	56.3 Å²	56.3	9%	0.089	29%	0.294	C	S	.	.			trans	-111.7	154.5	-175.9	-62.6	-175.3	0	0	0	111.5	F44 L52 A71 L74 Q80 V81	F44-L76 HydrophobicContact CD1-CD1 3.93Å; F44-L76 HydrophobicContact CD1-CD2 3.79Å; F44-L76 HydrophobicContact CE1-CD1 3.79Å; F44-L76 HydrophobicContact CE1-CD2 3.71Å; F44-L76 HydrophobicContact CE1-CG 4.39Å; L52-L76 HydrophobicContact CD1-CD1 4.06Å; A71-L76 CarbonylContact C-O 3.46Å; A71-L76 WeakPolarHBondContact CA-O 3.19Å; A71-L76 VanDerWaalsContact CB-O 3.31Å; A71-L76 WeakPolarHBondContact CB-O 3.4Å; A71-L76 PolarHBondContact O-N 3.42Å; A71-L76 VanDerWaalsContact O-O 3.08Å; L74-L76 VanDerWaalsContact C-N 3.3Å; L74-L76 HydrophobicContact CB-CD1 4.02Å; L74-L76 HydrophobicContact CB-CG 3.91Å; L74-L76 HydrophobicContact CD1-CD1 4.37Å; L74-L76 PolarHBondContact O-N 3.03Å; L76-Q80 HydrophobicContact CB-CB 4.44Å; L76-V81 HydrophobicContact CB-CG2 4.01Å; L76-V81 HydrophobicContact CD1-CG2 4.42Å
77	T	97.3	Very high	97.3	Very high	75 Å²	75	60.1 Å²	60.1	46%	0.46	31%	0.314	S	S	.	.			trans	-75.9	149	169.6	61	0	0	0	0	111.3	T79 Q80 V81	T77-T79 PolarHBondContact O-N 3.18Å; T77-T79 VanDerWaalsContact O-N 3.11Å; T77-Q80 WeakPolarHBondContact O-CB 3.45Å; T77-Q80 PolarHBondContact O-N 3.15Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.45Å; T77-Q80 PolarHBondContact OG1-N 2.62Å; T77-Q80 PolarHBondContact OG1-OE1 2.62Å; T77-V81 PolarHBondContact O-N 3.38Å; T77-V81 VanDerWaalsContact O-N 3.09Å
78	N	97.5	Very high	97.3	Very high	57 Å²	57	58.8 Å²	58.8	31%	0.305	31%	0.309	S	S	.	.	H	α-helix	trans	-48.3	-39.3	172.2	-80.1	-7.5	0	0	0	113	R67 D68 A71 V81 I82	R67-N78 HydrophobicContact CG-CB 4.24Å; R67-N78 PolarHBondContact NE-ND2 3.23Å; D68-N78 VanDerWaalsContact OD1-CG 3.24Å; D68-N78 PolarHBondContact OD1-ND2 2.75Å; D68-N78 PolarHBondContact OD1-OD1 3.21Å; A71-N78 WeakPolarHBondContact CB-OD1 3.43Å; N78-V81 PolarHBondContact O-N 2.77Å; N78-I82 VanDerWaalsContact O-CG1 3.28Å; N78-I82 WeakPolarHBondContact O-CG1 3.4Å; N78-I82 PolarHBondContact O-N 3.21Å
79	T	96.4	Very high	97.2	Very high	97 Å²	97	57.5 Å²	57.5	60%	0.595	30%	0.301	S	S	*	.	H	α-helix	trans	-65.6	-41.6	176.1	-46.6	0	0	0	0	112.5	T77 V81 I82 T83	T77-T79 PolarHBondContact O-N 3.18Å; T77-T79 VanDerWaalsContact O-N 3.11Å; T79-V81 VanDerWaalsContact C-N 3.34Å; T79-V81 PolarHBondContact O-N 3.18Å; T79-I82 PolarHBondContact O-N 3.36Å; T79-T83 VanDerWaalsContact O-CB 3.31Å; T79-T83 WeakPolarHBondContact O-CB 3.31Å; T79-T83 PolarHBondContact O-N 3.49Å; T79-T83 PolarHBondContact O-OG1 3.18Å; T79-T83 VanDerWaalsContact O-OG1 3.11Å
80	Q	97.1	Very high	97.1	Very high	54 Å²	54	54.7 Å²	54.7	25%	0.252	30%	0.301	S	S	.	.	H	α-helix	trans	-62.5	-41.2	175.5	-77.9	164.6	-75.3	0	0	111.8	F44 L76 T77 W84	F44-Q80 HydrophobicContact CE1-CB 4.14Å; F44-Q80 HydrophobicContact CE1-CG 4.36Å; F44-Q80 HydrophobicContact CZ-CB 4.08Å; F44-Q80 HydrophobicContact CZ-CG 4.38Å; L76-Q80 HydrophobicContact CB-CB 4.44Å; T77-Q80 WeakPolarHBondContact O-CB 3.45Å; T77-Q80 PolarHBondContact O-N 3.15Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.45Å; T77-Q80 PolarHBondContact OG1-N 2.62Å; T77-Q80 PolarHBondContact OG1-OE1 2.62Å; Q80-W84 WeakPolarHBondContact O-CB 3.35Å; Q80-W84 PolarHBondContact O-N 3.44Å
81	V	97.1	Very high	96.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.8	-51.3	176.8	-175.9	0	0	0	0	110.2	L52 L62 I70 A71 L76 T77 N78 T79 T83 W84 F85	L52-V81 HydrophobicContact CD2-CG1 4.28Å; L62-V81 HydrophobicContact CD1-CG1 3.39Å; I70-V81 HydrophobicContact CB-CG1 4.38Å; I70-V81 HydrophobicContact CG2-CG1 3.88Å; I70-V81 HydrophobicContact CG2-CG2 4.22Å; A71-V81 HydrophobicContact CB-CG2 4.05Å; L76-V81 HydrophobicContact CB-CG2 4.01Å; L76-V81 HydrophobicContact CD1-CG2 4.42Å; T77-V81 PolarHBondContact O-N 3.38Å; T77-V81 VanDerWaalsContact O-N 3.09Å; N78-V81 PolarHBondContact O-N 2.77Å; T79-V81 VanDerWaalsContact C-N 3.34Å; T79-V81 PolarHBondContact O-N 3.18Å; V81-T83 VanDerWaalsContact C-N 3.35Å; V81-T83 PolarHBondContact O-N 3.42Å; V81-W84 PolarHBondContact O-N 3.41Å; V81-F85 HydrophobicContact CG1-CD2 3.87Å; V81-F85 HydrophobicContact CG1-CE2 3.96Å; V81-F85 WeakPolarHBondContact O-CD2 3.2Å; V81-F85 PolarHBondContact O-N 2.96Å
82	I	96.8	Very high	96.7	Very high	68 Å²	68	60.9 Å²	60.9	35%	0.349	33%	0.328	S	S	.	.	H	α-helix	trans	-53.7	-50	175.9	-70.1	164.3	0	0	0	111.3	R67 N78 T79 W84 F85 Q86	R67-I82 HydrophobicContact CG-CG1 4.27Å; N78-I82 VanDerWaalsContact O-CG1 3.28Å; N78-I82 WeakPolarHBondContact O-CG1 3.4Å; N78-I82 PolarHBondContact O-N 3.21Å; T79-I82 PolarHBondContact O-N 3.36Å; I82-W84 PolarHBondContact O-N 2.82Å; I82-F85 PolarHBondContact O-N 3.45Å; I82-Q86 HydrophobicContact CG2-CG 4.35Å; I82-Q86 WeakPolarHBondContact O-CB 3.28Å; I82-Q86 VanDerWaalsContact O-CG 3.31Å; I82-Q86 WeakPolarHBondContact O-CG 3.46Å; I82-Q86 PolarHBondContact O-N 3.26Å
83	T	96.1	Very high	96.4	Very high	61 Å²	61	57.9 Å²	57.9	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-67.4	-34.4	-178.8	-65	0	0	0	0	112.6	T79 V81 N87	T79-T83 VanDerWaalsContact O-CB 3.31Å; T79-T83 WeakPolarHBondContact O-CB 3.31Å; T79-T83 PolarHBondContact O-N 3.49Å; T79-T83 PolarHBondContact O-OG1 3.18Å; T79-T83 VanDerWaalsContact O-OG1 3.11Å; V81-T83 VanDerWaalsContact C-N 3.35Å; V81-T83 PolarHBondContact O-N 3.42Å; T83-N87 WeakPolarHBondContact CG2-ND2 3.19Å; T83-N87 WeakPolarHBondContact O-CB 3.48Å; T83-N87 VanDerWaalsContact O-CG 3.29Å; T83-N87 PolarHBondContact O-N 3.15Å; T83-N87 PolarHBondContact O-ND2 3.49Å
84	W	98.1	Very high	96	Very high	28 Å²	28	57.9 Å²	57.9	11%	0.106	31%	0.31	C	S	.	.	H	α-helix	trans	-65.3	-45.9	172.5	-176.4	101.1	0	0	0	110.6	F44 L52 E53 F56 Q80 V81 I82 Q86 N87 R88	F44-W84 AromaticContact CD2-CD1 3.82Å; F44-W84 HydrophobicContact CE2-CB 4.24Å; F44-W84 AromaticContact CE2-CD1 3.69Å; F44-W84 HydrophobicContact CE2-CG 4.33Å; L52-W84 VanDerWaalsContact C-CH2 3.44Å; L52-W84 HydrophobicContact CB-CD2 3.76Å; L52-W84 HydrophobicContact CB-CE3 3.84Å; L52-W84 HydrophobicContact CB-CG 4.5Å; L52-W84 HydrophobicContact CB-CH2 3.8Å; L52-W84 HydrophobicContact CB-CZ2 3.66Å; L52-W84 HydrophobicContact CB-CZ3 3.88Å; L52-W84 HydrophobicContact CD1-CB 4.39Å; L52-W84 HydrophobicContact CD1-CD2 3.94Å; L52-W84 HydrophobicContact CD1-CG 3.78Å; L52-W84 HydrophobicContact CD2-CD2 4.31Å; L52-W84 HydrophobicContact CD2-CE3 4.2Å; L52-W84 HydrophobicContact CG-CD2 4.21Å; L52-W84 HydrophobicContact CG-CE3 4.43Å; L52-W84 WeakPolarHBondContact O-CH2 2.8Å; L52-W84 WeakPolarHBondContact O-CZ3 3.11Å; E53-W84 HydrophobicContact CB-CH2 4.46Å; E53-W84 WeakPolarHBondContact OE2-CH2 3.42Å; E53-W84 WeakPolarHBondContact OE2-CZ2 3.15Å; F56-W84 HydrophobicContact CB-CH2 3.92Å; F56-W84 HydrophobicContact CB-CZ3 3.84Å; F56-W84 HydrophobicContact CD2-CZ3 4.22Å; F56-W84 HydrophobicContact CG-CH2 4.31Å; F56-W84 HydrophobicContact CG-CZ3 4.19Å; Q80-W84 WeakPolarHBondContact O-CB 3.35Å; Q80-W84 PolarHBondContact O-N 3.44Å; V81-W84 PolarHBondContact O-N 3.41Å; I82-W84 PolarHBondContact O-N 2.82Å; W84-Q86 PolarHBondContact O-N 3.22Å; W84-N87 PolarHBondContact O-N 2.93Å; W84-R88 HydrophobicContact CD2-CB 4.47Å; W84-R88 HydrophobicContact CE3-CB 4.08Å; W84-R88 HydrophobicContact CH2-CB 3.76Å; W84-R88 HydrophobicContact CH2-CG 3.62Å; W84-R88 HydrophobicContact CZ2-CB 4.21Å; W84-R88 HydrophobicContact CZ2-CG 4.24Å; W84-R88 HydrophobicContact CZ3-CB 3.7Å; W84-R88 HydrophobicContact CZ3-CG 3.92Å; W84-R88 WeakPolarHBondContact O-CB 3.44Å; W84-R88 PolarHBondContact O-N 2.73Å
85	F	97.8	Very high	95.7	Very high	3 Å²	3	60.3 Å²	60.3	1%	0.013	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-46.7	179	-89.4	-104.2	0	0	0	111.5	L52 N55 F56 Q59 L62 V81 I82 N87 R88 R89	L52-F85 HydrophobicContact CD2-CD2 4.43Å; L52-F85 HydrophobicContact CD2-CE2 3.85Å; N55-F85 HydrophobicContact CB-CZ 4.24Å; F56-F85 HydrophobicContact CB-CE1 4.03Å; F56-F85 HydrophobicContact CB-CZ 4.22Å; F56-F85 AromaticContact CD2-CD1 3.78Å; F56-F85 HydrophobicContact CD2-CD1 3.78Å; F56-F85 AromaticContact CD2-CE1 3.81Å; F56-F85 HydrophobicContact CD2-CE1 3.81Å; F56-F85 HydrophobicContact CG-CE1 4.44Å; Q59-F85 WeakPolarHBondContact O-CE1 2.96Å; L62-F85 HydrophobicContact CD1-CD1 4.26Å; L62-F85 HydrophobicContact CD1-CD2 3.79Å; L62-F85 HydrophobicContact CD1-CE1 4.14Å; L62-F85 HydrophobicContact CD1-CE2 3.68Å; L62-F85 HydrophobicContact CD1-CG 4.12Å; L62-F85 HydrophobicContact CD1-CZ 3.88Å; L62-F85 HydrophobicContact CD2-CD1 4.26Å; L62-F85 HydrophobicContact CD2-CE1 3.6Å; L62-F85 HydrophobicContact CD2-CE2 4.35Å; L62-F85 HydrophobicContact CD2-CZ 3.68Å; L62-F85 HydrophobicContact CG-CD1 3.89Å; L62-F85 HydrophobicContact CG-CD2 4.32Å; L62-F85 HydrophobicContact CG-CE1 3.73Å; L62-F85 HydrophobicContact CG-CE2 4.21Å; L62-F85 HydrophobicContact CG-CG 4.2Å; L62-F85 HydrophobicContact CG-CZ 3.93Å; V81-F85 HydrophobicContact CG1-CD2 3.87Å; V81-F85 HydrophobicContact CG1-CE2 3.96Å; V81-F85 WeakPolarHBondContact O-CD2 3.2Å; V81-F85 PolarHBondContact O-N 2.96Å; I82-F85 PolarHBondContact O-N 3.45Å; F85-N87 VanDerWaalsContact C-N 3.35Å; F85-N87 PolarHBondContact O-N 3.39Å; F85-R88 PolarHBondContact O-N 2.82Å; F85-R89 VanDerWaalsContact O-CG 3.29Å; F85-R89 WeakPolarHBondContact O-CG 3.33Å; F85-R89 PolarHBondContact O-N 3.48Å
86	Q	95.4	Very high	95	Very high	74 Å²	74	58.5 Å²	58.5	35%	0.346	30%	0.299	S	S	.	.	H	α-helix	trans	-54.9	-47.2	172.5	-72.8	170.1	-24.6	0	0	112.3	I82 W84 R89 A90	I82-Q86 HydrophobicContact CG2-CG 4.35Å; I82-Q86 WeakPolarHBondContact O-CB 3.28Å; I82-Q86 VanDerWaalsContact O-CG 3.31Å; I82-Q86 WeakPolarHBondContact O-CG 3.46Å; I82-Q86 PolarHBondContact O-N 3.26Å; W84-Q86 PolarHBondContact O-N 3.22Å; Q86-R89 PolarHBondContact O-N 3.32Å; Q86-A90 WeakPolarHBondContact O-CB 3.35Å; Q86-A90 PolarHBondContact O-N 3.35Å
87	N	97.4	Very high	94.5	Very high	101 Å²	101	59.9 Å²	59.9	54%	0.54	31%	0.305	S	S	.	.	H	α-helix	trans	-66.9	-36.1	178.3	-76.9	-50.3	0	0	0	112.8	T83 W84 F85 R89 A90 K91	T83-N87 WeakPolarHBondContact CG2-ND2 3.19Å; T83-N87 WeakPolarHBondContact O-CB 3.48Å; T83-N87 VanDerWaalsContact O-CG 3.29Å; T83-N87 PolarHBondContact O-N 3.15Å; T83-N87 PolarHBondContact O-ND2 3.49Å; W84-N87 PolarHBondContact O-N 2.93Å; F85-N87 VanDerWaalsContact C-N 3.35Å; F85-N87 PolarHBondContact O-N 3.39Å; N87-R89 VanDerWaalsContact C-N 3.34Å; N87-A90 CarbonylContact O-C 3.36Å; N87-A90 PolarHBondContact O-N 3.02Å; N87-K91 WeakPolarHBondContact O-CB 3.1Å; N87-K91 PolarHBondContact O-N 2.86Å
88	R	98	Very high	93.9	Very high	33 Å²	33	61.6 Å²	61.6	13%	0.125	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-37.4	177.8	179.8	59.4	-173.5	110.4	-10.2	111.6	E53 F56 W84 F85 K91 L92 E95	E53-R88 VanDerWaalsContact CD-NE 3.28Å; E53-R88 IonicContact OE1-CZ 2.74Å; E53-R88 IonicContact OE1-NE 3.56Å; E53-R88 PolarHBondContact OE1-NE 3.07Å; E53-R88 IonicContact OE1-NH2 3.26Å; E53-R88 PolarHBondContact OE1-NH2 3.39Å; E53-R88 VanDerWaalsContact OE2-CD 3.28Å; E53-R88 WeakPolarHBondContact OE2-CD 3.33Å; E53-R88 IonicContact OE2-NE 2.79Å; E53-R88 PolarHBondContact OE2-NE 2.7Å; F56-R88 HydrophobicContact CD1-CG 3.57Å; F56-R88 HydrophobicContact CD2-CB 4.29Å; F56-R88 HydrophobicContact CD2-CG 3.81Å; F56-R88 HydrophobicContact CE1-CG 3.53Å; F56-R88 HydrophobicContact CE2-CB 4.21Å; F56-R88 HydrophobicContact CE2-CG 3.79Å; F56-R88 HydrophobicContact CG-CG 3.71Å; F56-R88 HydrophobicContact CZ-CB 4.42Å; F56-R88 HydrophobicContact CZ-CG 3.65Å; W84-R88 HydrophobicContact CD2-CB 4.47Å; W84-R88 HydrophobicContact CE3-CB 4.08Å; W84-R88 HydrophobicContact CH2-CB 3.76Å; W84-R88 HydrophobicContact CH2-CG 3.62Å; W84-R88 HydrophobicContact CZ2-CB 4.21Å; W84-R88 HydrophobicContact CZ2-CG 4.24Å; W84-R88 HydrophobicContact CZ3-CB 3.7Å; W84-R88 HydrophobicContact CZ3-CG 3.92Å; W84-R88 WeakPolarHBondContact O-CB 3.44Å; W84-R88 PolarHBondContact O-N 2.73Å; F85-R88 PolarHBondContact O-N 2.82Å; R88-K91 WeakPolarHBondContact O-CB 3.17Å; R88-K91 PolarHBondContact O-N 3.07Å; R88-L92 WeakPolarHBondContact O-CB 3.38Å; R88-L92 PolarHBondContact O-N 3.31Å; R88-E95 IonicContact CZ-OE2 3.68Å; R88-E95 IonicContact NH1-OE2 3.58Å; R88-E95 PolarHBondContact NH1-OE2 3.39Å
89	R	97.1	Very high	93.3	Very high	25 Å²	25	61.1 Å²	61.1	9%	0.094	31%	0.305	C	S	.	.	H	α-helix	trans	-67.8	-43.6	172.4	-63.6	-177.9	-62.5	-146.8	43.6	112.3	E21 T22 F56 R60 Y61 F85 Q86 N87 K91 L92 K93	E21-R89 IonicContact OE1-CZ 3.85Å; E21-R89 IonicContact OE1-NH1 3.84Å; E21-R89 IonicContact OE1-NH2 2.84Å; E21-R89 PolarHBondContact OE1-NH2 3.42Å; T22-R89 WeakPolarHBondContact OG1-CD 3.36Å; T22-R89 VanDerWaalsContact OG1-CZ 3.23Å; T22-R89 PolarHBondContact OG1-NE 2.87Å; T22-R89 PolarHBondContact OG1-NH2 2.9Å; F56-R89 HydrophobicContact CE2-CG 3.55Å; F56-R89 HydrophobicContact CZ-CG 3.89Å; R60-R89 PolarHBondContact O-NH1 2.94Å; Y61-R89 HydrophobicContact CE1-CG 4.4Å; Y61-R89 VanDerWaalsContact CE1-NH1 3.26Å; Y61-R89 WeakPolarHBondContact OH-CD 3.43Å; F85-R89 VanDerWaalsContact O-CG 3.29Å; F85-R89 WeakPolarHBondContact O-CG 3.33Å; F85-R89 PolarHBondContact O-N 3.48Å; Q86-R89 PolarHBondContact O-N 3.32Å; N87-R89 VanDerWaalsContact C-N 3.34Å; R89-K91 PolarHBondContact O-N 3.19Å; R89-L92 PolarHBondContact O-N 2.97Å; R89-K93 PolarHBondContact O-N 2.96Å
90	A	94.6	Very high	92.7	Very high	50 Å²	50	57.9 Å²	57.9	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-66.8	-16.6	172.3	0	0	0	0	0	113.6	Q86 N87 R94	Q86-A90 WeakPolarHBondContact O-CB 3.35Å; Q86-A90 PolarHBondContact O-N 3.35Å; N87-A90 CarbonylContact O-C 3.36Å; N87-A90 PolarHBondContact O-N 3.02Å; A90-R94 WeakPolarHBondContact O-CG 3.39Å; A90-R94 PolarHBondContact O-NE 2.6Å; A90-R94 PolarHBondContact O-NH2 2.87Å
91	K	93.9	Very high	92.2	Very high	92 Å²	92	59.1 Å²	59.1	40%	0.4	29%	0.285	S	S	.	.	H	α-helix	trans	-80.6	-51.3	166.2	-173.2	176.7	178	-84	0	110.5	N87 R88 R89 K93 R94 E95	N87-K91 WeakPolarHBondContact O-CB 3.1Å; N87-K91 PolarHBondContact O-N 2.86Å; R88-K91 WeakPolarHBondContact O-CB 3.17Å; R88-K91 PolarHBondContact O-N 3.07Å; R89-K91 PolarHBondContact O-N 3.19Å; K91-K93 VanDerWaalsContact C-N 3.33Å; K91-K93 PolarHBondContact O-N 2.78Å; K91-R94 CarbonylContact O-C 3.38Å; K91-R94 WeakPolarHBondContact O-CA 3.13Å; K91-R94 PolarHBondContact O-N 2.84Å; K91-E95 WeakPolarHBondContact CE-OE1 3.13Å; K91-E95 HydrophobicContact CG-CG 4.27Å; K91-E95 IonicContact NZ-OE1 2.78Å; K91-E95 PolarHBondContact NZ-OE1 3.32Å; K91-E95 IonicContact NZ-OE2 2.95Å; K91-E95 VanDerWaalsContact O-CG 3.31Å; K91-E95 WeakPolarHBondContact O-CG 3.48Å; K91-E95 PolarHBondContact O-N 3.07Å
92	L	94.2	Very high	91.7	Very high	47 Å²	47	63.3 Å²	63.3	25%	0.246	31%	0.308	C	S	.	.	H	α-helix	trans	-55	-44.5	178.8	-176.5	64.1	0	0	0	113	F56 R88 R89 R94 E95 A96	F56-L92 HydrophobicContact CE1-CD2 4.13Å; F56-L92 HydrophobicContact CZ-CD2 3.98Å; R88-L92 WeakPolarHBondContact O-CB 3.38Å; R88-L92 PolarHBondContact O-N 3.31Å; R89-L92 PolarHBondContact O-N 2.97Å; L92-R94 PolarHBondContact O-N 3.25Å; L92-E95 WeakPolarHBondContact CA-OE2 3.42Å; L92-E95 PolarHBondContact N-OE2 2.9Å; L92-E95 PolarHBondContact O-N 3.43Å; L92-A96 PolarHBondContact O-N 3.23Å; L92-A96 VanDerWaalsContact O-N 3.07Å
93	K	91.4	Very high	91.1	Very high	114 Å²	114	61.2 Å²	61.2	50%	0.496	30%	0.298	S	S	.	.	H	α-helix	trans	-60.5	-43.4	174.5	175.1	165.1	172.7	165.6	0	111.9	R89 K91 A96 E97	R89-K93 PolarHBondContact O-N 2.96Å; K91-K93 VanDerWaalsContact C-N 3.33Å; K91-K93 PolarHBondContact O-N 2.78Å; K93-A96 PolarHBondContact O-N 3.45Å; K93-E97 WeakPolarHBondContact CE-OE1 3.43Å; K93-E97 HydrophobicContact CG-CG 4.37Å; K93-E97 IonicContact NZ-OE1 3.92Å; K93-E97 WeakPolarHBondContact O-CB 3.2Å; K93-E97 VanDerWaalsContact O-CG 3.29Å; K93-E97 WeakPolarHBondContact O-CG 3.41Å; K93-E97 PolarHBondContact O-N 2.84Å
94	R	88.6	Confident	90.7	Very high	133 Å²	133	61.8 Å²	61.8	50%	0.502	30%	0.297	S	S	.	.	H	α-helix	trans	-69.7	-32	177.8	-75.6	-178	-61.4	104.6	0.6	113.5	A90 K91 L92 E97 E98	A90-R94 WeakPolarHBondContact O-CG 3.39Å; A90-R94 PolarHBondContact O-NE 2.6Å; A90-R94 PolarHBondContact O-NH2 2.87Å; K91-R94 CarbonylContact O-C 3.38Å; K91-R94 WeakPolarHBondContact O-CA 3.13Å; K91-R94 PolarHBondContact O-N 2.84Å; L92-R94 PolarHBondContact O-N 3.25Å; R94-E97 CarbonylContact O-C 3.45Å; R94-E97 PolarHBondContact O-N 3.26Å; R94-E98 WeakPolarHBondContact O-CB 3.47Å; R94-E98 PolarHBondContact O-N 2.75Å
95	E	90	Very high	90.3	Very high	69 Å²	69	62.4 Å²	62.4	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-66.4	-39.3	175.1	-69.9	169.2	139.1	0	0	110.9	R88 K91 L92 E98 L99	R88-E95 IonicContact CZ-OE2 3.68Å; R88-E95 IonicContact NH1-OE2 3.58Å; R88-E95 PolarHBondContact NH1-OE2 3.39Å; K91-E95 WeakPolarHBondContact CE-OE1 3.13Å; K91-E95 HydrophobicContact CG-CG 4.27Å; K91-E95 IonicContact NZ-OE1 2.78Å; K91-E95 PolarHBondContact NZ-OE1 3.32Å; K91-E95 IonicContact NZ-OE2 2.95Å; K91-E95 VanDerWaalsContact O-CG 3.31Å; K91-E95 WeakPolarHBondContact O-CG 3.48Å; K91-E95 PolarHBondContact O-N 3.07Å; L92-E95 WeakPolarHBondContact CA-OE2 3.42Å; L92-E95 PolarHBondContact N-OE2 2.9Å; L92-E95 PolarHBondContact O-N 3.43Å; E95-E98 PolarHBondContact O-N 2.84Å; E95-L99 WeakPolarHBondContact O-CB 3.29Å; E95-L99 PolarHBondContact O-N 3.41Å; E95-L99 VanDerWaalsContact O-N 3.1Å
96	A	84.3	Confident	89.8	Confident	30 Å²	30	66.1 Å²	66.1	25%	0.248	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-53.1	167.5	0	0	0	0	0	111.1	Q7 L92 K93 E98 I221	Q7-A96 PolarHBondContact OE1-O 2.76Å; L92-A96 PolarHBondContact O-N 3.23Å; L92-A96 VanDerWaalsContact O-N 3.07Å; K93-A96 PolarHBondContact O-N 3.45Å; A96-E98 PolarHBondContact O-N 2.91Å; A96-I221 HydrophobicContact CB-CD1 4.38Å
97	E	85.4	Confident	89.2	Confident	46 Å²	46	68.1 Å²	68.1	22%	0.215	33%	0.333	C	S	.	.	H	α-helix	trans	-59.7	5.4	174.6	-68.1	172.7	169.1	0	0	115.1	Q7 K93 R94 R101	Q7-E97 PolarHBondContact NE2-O 3.17Å; K93-E97 WeakPolarHBondContact CE-OE1 3.43Å; K93-E97 HydrophobicContact CG-CG 4.37Å; K93-E97 IonicContact NZ-OE1 3.92Å; K93-E97 WeakPolarHBondContact O-CB 3.2Å; K93-E97 VanDerWaalsContact O-CG 3.29Å; K93-E97 WeakPolarHBondContact O-CG 3.41Å; K93-E97 PolarHBondContact O-N 2.84Å; R94-E97 CarbonylContact O-C 3.45Å; R94-E97 PolarHBondContact O-N 3.26Å; E97-R101 VanDerWaalsContact O-CZ 3.31Å; E97-R101 PolarHBondContact O-NH1 2.92Å; E97-R101 PolarHBondContact O-NH2 2.81Å
98	E	84.5	Confident	88.5	Confident	111 Å²	111	69.3 Å²	69.3	52%	0.519	33%	0.333	S	S	.	.	H	α-helix	trans	-122.2	-58.3	-179.1	-176.9	159.5	-139.5	0	0	112.4	R94 E95 A96 E100 R101	R94-E98 WeakPolarHBondContact O-CB 3.47Å; R94-E98 PolarHBondContact O-N 2.75Å; E95-E98 PolarHBondContact O-N 2.84Å; A96-E98 PolarHBondContact O-N 2.91Å; E98-E100 PolarHBondContact O-N 3.23Å; E98-R101 VanDerWaalsContact O-CB 3.24Å; E98-R101 WeakPolarHBondContact O-CB 3.26Å; E98-R101 PolarHBondContact O-N 3.49Å
99	L	85.3	Confident	87.6	Confident	47 Å²	47	73.2 Å²	73.2	25%	0.246	35%	0.353	C	S	.	.	H	α-helix	trans	-40.2	-41.2	177.3	167.7	62.3	0	0	0	113.1	E95 V103 P207	E95-L99 WeakPolarHBondContact O-CB 3.29Å; E95-L99 PolarHBondContact O-N 3.41Å; E95-L99 VanDerWaalsContact O-N 3.1Å; L99-V103 PolarHBondContact O-N 3.1Å; L99-P207 HydrophobicContact CD1-CB 4.01Å; L99-P207 HydrophobicContact CD1-CG 4.06Å
100	E	83.1	Confident	86.5	Confident	29 Å²	29	80.2 Å²	80.2	14%	0.136	38%	0.384	C	S	.	.	H	α-helix	trans	-97.4	-4.5	-166.9	-179.9	-129.3	124.5	0	0	112.8	Q7 Q8 E98 D102 V103 M104	Q7-E100 WeakPolarHBondContact CB-OE1 2.74Å; Q7-E100 HydrophobicContact CG-CB 4.41Å; Q7-E100 HydrophobicContact CG-CG 4.31Å; Q7-E100 WeakPolarHBondContact CG-OE1 3.33Å; Q7-E100 VanDerWaalsContact NE2-C 3.26Å; Q7-E100 VanDerWaalsContact OE1-CD 3.27Å; Q7-E100 PolarHBondContact OE1-OE2 3.04Å; Q7-E100 VanDerWaalsContact OE1-OE2 3.07Å; Q8-E100 VanDerWaalsContact CA-OE1 3.3Å; Q8-E100 WeakPolarHBondContact CA-OE1 3.13Å; Q8-E100 HydrophobicContact CB-CG 4.28Å; Q8-E100 WeakPolarHBondContact CB-OE1 3.33Å; Q8-E100 WeakPolarHBondContact CB-OE2 3.49Å; Q8-E100 HydrophobicContact CG-CG 3.58Å; Q8-E100 WeakPolarHBondContact CG-OE1 3.47Å; Q8-E100 VanDerWaalsContact CG-OE2 3.26Å; Q8-E100 WeakPolarHBondContact CG-OE2 3.47Å; Q8-E100 PolarHBondContact N-OE1 3.08Å; Q8-E100 VanDerWaalsContact NE2-CD 3.32Å; Q8-E100 PolarHBondContact NE2-OE1 3.13Å; E98-E100 PolarHBondContact O-N 3.23Å; E100-D102 VanDerWaalsContact C-N 3.29Å; E100-V103 HydrophobicContact CG-CB 4.37Å; E100-V103 PolarHBondContact O-N 2.61Å; E100-M104 WeakPolarHBondContact O-CG 3.41Å; E100-M104 PolarHBondContact O-N 2.9Å
101	R	86.8	Confident	85.2	Confident	80 Å²	80	84.2 Å²	84.2	30%	0.302	39%	0.394	S	S	.	.	H	α-helix	trans	-69.2	-41.1	164.5	-174.2	-178.6	-63.3	100.6	3.6	107.7	T5 M6 E97 E98 M104 A105	T5-R101 PolarHBondContact OG1-NH2 2.9Å; M6-R101 HydrophobicContact CE-CB 4.17Å; M6-R101 HydrophobicContact CE-CG 4.18Å; M6-R101 HydrophobicContact CG-CB 4.04Å; M6-R101 HydrophobicContact CG-CG 4.15Å; M6-R101 HydrophobicContact SD-CB 4.16Å; M6-R101 HydrophobicContact SD-CG 3.8Å; E97-R101 VanDerWaalsContact O-CZ 3.31Å; E97-R101 PolarHBondContact O-NH1 2.92Å; E97-R101 PolarHBondContact O-NH2 2.81Å; E98-R101 VanDerWaalsContact O-CB 3.24Å; E98-R101 WeakPolarHBondContact O-CB 3.26Å; E98-R101 PolarHBondContact O-N 3.49Å; R101-M104 PolarHBondContact O-N 2.74Å; R101-A105 VanDerWaalsContact O-CB 3.28Å; R101-A105 WeakPolarHBondContact O-CB 3.44Å; R101-A105 PolarHBondContact O-N 3.03Å
102	D	87.2	Confident	83.6	Confident	89 Å²	89	84.9 Å²	84.9	48%	0.476	40%	0.399	S	S	.	.	H	α-helix	trans	-69.3	-40	175.4	-50.5	-26.8	0	0	0	109.9	E100 M104 A105 L106	E100-D102 VanDerWaalsContact C-N 3.29Å; D102-M104 PolarHBondContact O-N 2.68Å; D102-A105 PolarHBondContact O-N 2.96Å; D102-L106 VanDerWaalsContact O-CB 3.25Å; D102-L106 WeakPolarHBondContact O-CB 3.36Å; D102-L106 WeakPolarHBondContact O-CD1 3.41Å; D102-L106 WeakPolarHBondContact O-CG 3.26Å; D102-L106 PolarHBondContact O-N 3.43Å
103	V	83.5	Confident	81.9	Confident	23 Å²	23	89.9 Å²	89.9	14%	0.139	42%	0.418	C	S	.	.	H	α-helix	trans	-58.6	-47.2	171.2	175.9	0	0	0	0	112.2	L99 E100 R107 L214	L99-V103 PolarHBondContact O-N 3.1Å; E100-V103 HydrophobicContact CG-CB 4.37Å; E100-V103 PolarHBondContact O-N 2.61Å; V103-R107 WeakPolarHBondContact O-CG 3.41Å; V103-R107 PolarHBondContact O-N 2.88Å; V103-L214 HydrophobicContact CG1-CD1 4.38Å; V103-L214 HydrophobicContact CG1-CD2 4.01Å; V103-L214 HydrophobicContact CG2-CD1 4.08Å
104	M	88.3	Confident	80.2	Confident	73 Å²	73	92 Å²	92	36%	0.36	43%	0.428	S	S	.	.	H	α-helix	trans	-63.7	-43.9	175.5	-72.6	-164.1	-167.8	0	0	112.1	M6 Q7 E100 R101 D102 R107 K108	M6-M104 HydrophobicContact CE-CE 3.98Å; M6-M104 HydrophobicContact CE-CG 4.27Å; M6-M104 HydrophobicContact CE-SD 3.43Å; M6-M104 WeakPolarHBondContact CE-SD 3.44Å; Q7-M104 HydrophobicContact CG-CE 4.23Å; E100-M104 WeakPolarHBondContact O-CG 3.41Å; E100-M104 PolarHBondContact O-N 2.9Å; R101-M104 PolarHBondContact O-N 2.74Å; D102-M104 PolarHBondContact O-N 2.68Å; M104-R107 PolarHBondContact O-N 3.42Å; M104-K108 PolarHBondContact O-N 2.87Å
105	A	89.2	Confident	78.7	Confident	42 Å²	42	89.6 Å²	89.6	35%	0.347	43%	0.428	S	S	.	.	H	α-helix	trans	-63.6	-43.4	179.5	0	0	0	0	0	112	R101 D102 R107 K108 Q109	R101-A105 VanDerWaalsContact O-CB 3.28Å; R101-A105 WeakPolarHBondContact O-CB 3.44Å; R101-A105 PolarHBondContact O-N 3.03Å; D102-A105 PolarHBondContact O-N 2.96Å; A105-R107 PolarHBondContact O-N 3.04Å; A105-K108 PolarHBondContact O-N 3.32Å; A105-Q109 WeakPolarHBondContact O-CG 3.41Å; A105-Q109 PolarHBondContact O-N 2.98Å
106	L	87	Confident	77	Confident	81 Å²	81	90.5 Å²	90.5	42%	0.424	44%	0.441	S	S	.	.	H	α-helix	trans	-64.2	-37.5	176	-71.9	167.7	0	0	0	112	D102 Q109 K110	D102-L106 VanDerWaalsContact O-CB 3.25Å; D102-L106 WeakPolarHBondContact O-CB 3.36Å; D102-L106 WeakPolarHBondContact O-CD1 3.41Å; D102-L106 WeakPolarHBondContact O-CG 3.26Å; D102-L106 PolarHBondContact O-N 3.43Å; L106-Q109 PolarHBondContact O-N 2.76Å; L106-K110 PolarHBondContact O-N 2.81Å
107	R	84.4	Confident	75.5	Confident	116 Å²	116	95.3 Å²	95.3	44%	0.438	46%	0.462	S	S	.	.	H	α-helix	trans	-61.8	-46.8	171.7	-78.6	175.2	167.7	170.4	-3.3	111.5	V103 M104 A105 Q109 K110 Q111	V103-R107 WeakPolarHBondContact O-CG 3.41Å; V103-R107 PolarHBondContact O-N 2.88Å; M104-R107 PolarHBondContact O-N 3.42Å; A105-R107 PolarHBondContact O-N 3.04Å; R107-Q109 PolarHBondContact O-N 3.26Å; R107-K110 PolarHBondContact O-N 2.99Å; R107-Q111 PolarHBondContact O-N 3.26Å
108	K	82.4	Confident	73.8	Confident	125 Å²	125	97.1 Å²	97.1	54%	0.543	48%	0.48	S	S	.	.	H	α-helix	trans	-64.1	-39.2	176.7	-172.5	169.5	-177.4	170.9	0	112.6	M104 A105 Q111 Q112	M104-K108 PolarHBondContact O-N 2.87Å; A105-K108 PolarHBondContact O-N 3.32Å; K108-Q111 PolarHBondContact O-N 2.98Å; K108-Q112 HydrophobicContact CG-CG 4.45Å; K108-Q112 WeakPolarHBondContact O-CG 3.37Å; K108-Q112 PolarHBondContact O-N 3.45Å
109	Q	78.3	Confident	72.2	Confident	115 Å²	115	98.9 Å²	98.9	54%	0.537	49%	0.492	S	S	.	.	H	α-helix	trans	-63	-40.6	175	-74.8	175.6	10.2	0	0	112.4	A105 L106 R107 Q111 Q112 K113	A105-Q109 WeakPolarHBondContact O-CG 3.41Å; A105-Q109 PolarHBondContact O-N 2.98Å; L106-Q109 PolarHBondContact O-N 2.76Å; R107-Q109 PolarHBondContact O-N 3.26Å; Q109-Q111 VanDerWaalsContact C-N 3.34Å; Q109-Q111 PolarHBondContact O-N 2.81Å; Q109-Q112 PolarHBondContact O-N 2.84Å; Q109-K113 WeakPolarHBondContact O-CB 2.99Å; Q109-K113 PolarHBondContact O-N 3.07Å
110	K	74.6	Confident	70.3	Confident	173 Å²	173	101 Å²	101	75%	0.752	51%	0.511	S	S	*	.	H	α-helix	trans	-60.3	-42.6	174	-77.8	-174.3	175.5	-172.7	0	112	L106 R107 F114	L106-K110 PolarHBondContact O-N 2.81Å; R107-K110 PolarHBondContact O-N 2.99Å; K110-F114 PolarHBondContact O-N 3.37Å
111	Q	67.1	Low	68.8	Low	133 Å²	133	107.4 Å²	107.4	62%	0.621	55%	0.546	S	S	*	.	H	α-helix	trans	-65.7	-46.6	175.9	-70.4	172.7	-24	0	0	111.9	R107 K108 Q109 K113 F114 T115	R107-Q111 PolarHBondContact O-N 3.26Å; K108-Q111 PolarHBondContact O-N 2.98Å; Q109-Q111 VanDerWaalsContact C-N 3.34Å; Q109-Q111 PolarHBondContact O-N 2.81Å; Q111-K113 VanDerWaalsContact C-N 3.3Å; Q111-K113 PolarHBondContact O-N 2.88Å; Q111-F114 WeakPolarHBondContact O-CA 3.33Å; Q111-F114 WeakPolarHBondContact O-CB 3.45Å; Q111-F114 PolarHBondContact O-N 2.88Å; Q111-T115 PolarHBondContact O-N 3.48Å
112	Q	60.2	Low	67.2	Low	107 Å²	107	111.7 Å²	111.7	50%	0.5	57%	0.569	S	S	.	*	H	α-helix	trans	-63.7	-34.2	179.9	-73.7	-177.1	-43.5	0	0	113.1	K108 Q109 F114 T115 C116	K108-Q112 HydrophobicContact CG-CG 4.45Å; K108-Q112 WeakPolarHBondContact O-CG 3.37Å; K108-Q112 PolarHBondContact O-N 3.45Å; Q109-Q112 PolarHBondContact O-N 2.84Å; Q112-F114 VanDerWaalsContact C-N 3.26Å; Q112-F114 PolarHBondContact O-N 3.28Å; Q112-T115 WeakPolarHBondContact CA-OG1 3.24Å; Q112-T115 PolarHBondContact O-N 3.48Å; Q112-T115 PolarHBondContact O-OG1 3.21Å; Q112-T115 VanDerWaalsContact O-OG1 3.09Å; Q112-C116 PolarHBondContact O-N 2.82Å
113	K	59.2	Low	65.3	Low	151 Å²	151	113.4 Å²	113.4	66%	0.657	58%	0.578	S	S	*	*	H	α-helix	trans	-70.3	-20.4	173.4	-170.1	169.9	-178.3	179	0	113.1	Q109 Q111 L117	Q109-K113 WeakPolarHBondContact O-CB 2.99Å; Q109-K113 PolarHBondContact O-N 3.07Å; Q111-K113 VanDerWaalsContact C-N 3.3Å; Q111-K113 PolarHBondContact O-N 2.88Å; K113-L117 HydrophobicContact CG-CD1 4.49Å; K113-L117 VanDerWaalsContact O-CD1 3.29Å; K113-L117 WeakPolarHBondContact O-CD1 3.15Å; K113-L117 WeakPolarHBondContact O-CG 3.32Å
114	F	55.5	Low	63.5	Low	159 Å²	159	120.7 Å²	120.7	70%	0.697	61%	0.61	S	S	*	*	H	α-helix	trans	-79.1	-50.1	169	-165.9	-100.9	0	0	0	110.2	K110 Q111 Q112 C116 L117	K110-F114 PolarHBondContact O-N 3.37Å; Q111-F114 WeakPolarHBondContact O-CA 3.33Å; Q111-F114 WeakPolarHBondContact O-CB 3.45Å; Q111-F114 PolarHBondContact O-N 2.88Å; Q112-F114 VanDerWaalsContact C-N 3.26Å; Q112-F114 PolarHBondContact O-N 3.28Å; F114-C116 PolarHBondContact O-N 3.19Å; F114-L117 PolarHBondContact O-N 3.22Å
115	T	56.5	Low	61.4	Low	82 Å²	82	125.9 Å²	125.9	50%	0.503	63%	0.633	S	S	.	*	H	α-helix	trans	-64.4	-35.1	-176.1	56.8	0	0	0	0	114.2	Q111 Q112 L117 L119	Q111-T115 PolarHBondContact O-N 3.48Å; Q112-T115 WeakPolarHBondContact CA-OG1 3.24Å; Q112-T115 PolarHBondContact O-N 3.48Å; Q112-T115 PolarHBondContact O-OG1 3.21Å; Q112-T115 VanDerWaalsContact O-OG1 3.09Å; T115-L117 VanDerWaalsContact C-N 3.26Å; T115-L117 PolarHBondContact O-N 3.47Å; T115-L119 WeakPolarHBondContact O-CD1 3.5Å
116	C	53.3	Low	59.4	Low	89 Å²	89	132.4 Å²	132.4	60%	0.601	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	0.4	-179.8	84.3	0	0	0	0	114.5	Q112 F114	Q112-C116 PolarHBondContact O-N 2.82Å; F114-C116 PolarHBondContact O-N 3.19Å
117	L	52.9	Low	57.4	Low	130 Å²	130	133.5 Å²	133.5	68%	0.681	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	0.8	174.9	-65.8	179.2	0	0	0	113	K113 F114 T115	K113-L117 HydrophobicContact CG-CD1 4.49Å; K113-L117 VanDerWaalsContact O-CD1 3.29Å; K113-L117 WeakPolarHBondContact O-CD1 3.15Å; K113-L117 WeakPolarHBondContact O-CG 3.32Å; F114-L117 PolarHBondContact O-N 3.22Å; T115-L117 VanDerWaalsContact C-N 3.26Å; T115-L117 PolarHBondContact O-N 3.47Å
118	S	51.3	Low	55.7	Low	85 Å²	85	135.8 Å²	135.8	59%	0.594	68%	0.683	S	S	*	*	S	Bend	trans	-118	6.5	176.2	-62.1	0	0	0	0	114
119	L	51	Low	53.8	Low	147 Å²	147	137 Å²	137	77%	0.77	69%	0.693	S	S	*	*	S	Bend	trans	-107.4	69.9	168.6	-84.7	81	0	0	0	109.6	T115	T115-L119 WeakPolarHBondContact O-CD1 3.5Å
120	S	44.5	Very low	52.7	Low	92 Å²	92	139.2 Å²	139.2	64%	0.643	71%	0.709	S	S	*	*			trans	-154.4	146.1	167.1	-66.3	0	0	0	0	107.9
121	D	51.7	Low	51.4	Low	164 Å²	164	138.6 Å²	138.6	88%	0.877	71%	0.714	S	S	*	*	S	Bend	trans	75.1	114.5	174.7	-50.2	-29.5	0	0	0	118.6
122	H	53.7	Low	50.7	Low	170 Å²	170	141.1 Å²	141.1	79%	0.787	73%	0.726	S	S	*	*			trans	65.5	94.6	154.5	-97.1	-1.2	0	0	0	123.3
123	D	45.9	Very low	50.2	Low	125 Å²	125	143.3 Å²	143.3	67%	0.668	74%	0.741	S	S	*	*				43.3	119.1	101.4	-52.6	-52.8	0	0	0	121.8
124	H	46.2	Very low	49.8	Very low	175 Å²	175	144.2 Å²	144.2	81%	0.81	75%	0.748	S	S	*	*			trans	84.8	138.2	142.2	-89.8	-91.2	0	0	0	124.1
125	E	44.8	Very low	49.7	Very low	182 Å²	182	145.5 Å²	145.5	85%	0.85	76%	0.756	S	S	*	*			trans	82.9	156.3	159.2	-70.2	-176.9	168.2	0	0	121.8
126	E	47.6	Very low	49.3	Very low	180 Å²	180	145.3 Å²	145.3	84%	0.841	77%	0.77	S	S	*	*			trans	-89.9	176.3	-153.9	-50.8	174.5	137.6	0	0	112
127	T	45.4	Very low	49.6	Very low	104 Å²	104	147.7 Å²	147.7	64%	0.638	78%	0.777	S	S	*	*			cis	-158.9	169.2	33.9	42.1	0	0	0	0	113.1
128	Q	48.2	Very low	49.6	Very low	163 Å²	163	148.3 Å²	148.3	76%	0.762	78%	0.781	S	S	*	*			trans	48	114.8	147.1	-69.7	155.5	-21.5	0	0	119.1
129	I	42.9	Very low	49.9	Very low	150 Å²	150	150.2 Å²	150.2	77%	0.769	78%	0.784	S	S	*	*				59.8	111.8	61.9	-54.4	174.7	0	0	0	113.5
130	D	54.4	Low	50	Low	163 Å²	163	149.3 Å²	149.3	87%	0.872	78%	0.78	S	S	*	*			trans	-163.8	153.6	134.3	-91.3	-28.7	0	0	0	109.1
131	D	46.3	Very low	50.6	Low	159 Å²	159	151.6 Å²	151.6	85%	0.85	79%	0.785	S	S	*	*			trans	-108.8	-171.4	-173.7	-99.2	-58.3	0	0	0	112.4
132	E	53.7	Low	51	Low	187 Å²	187	150.1 Å²	150.1	87%	0.874	78%	0.777	S	S	*	*			trans	90.4	111.3	170	-54.9	-175.7	-169.9	0	0	118.6
133	N	49.5	Very low	51.4	Low	152 Å²	152	149.2 Å²	149.2	81%	0.813	78%	0.779	S	S	*	*				178.9	157.4	88.3	-166.9	19.3	0	0	0	112
134	E	49.8	Very low	52	Low	171 Å²	171	146.8 Å²	146.8	80%	0.799	78%	0.783	S	S	*	*			trans	-101.2	-167.9	176.4	-70.5	-164.7	119.9	0	0	113.1
135	Q	55.4	Low	52.6	Low	185 Å²	185	145.2 Å²	145.2	86%	0.864	78%	0.78	S	S	*	*			trans	83.7	127.3	173.2	-53.4	169.6	-8.2	0	0	115.2
136	G	48	Very low	53.3	Low	78 Å²	78	142.7 Å²	142.7	80%	0.804	77%	0.773	S	S	*	*			cis	107.9	104.3	-8.1	0	0	0	0	0	114.4
137	D	58.4	Low	53.7	Low	140 Å²	140	140 Å²	140	75%	0.749	76%	0.764	S	S	*	*			trans	-153.4	152.1	169.8	-160.1	-6.6	0	0	0	110.4	N139	D137-N139 PolarHBondContact OD1-ND2 3.43Å
138	N	53.8	Low	53.9	Low	142 Å²	142	142.2 Å²	142.2	76%	0.759	77%	0.772	S	S	*	*			trans	-143.1	122.6	-178.8	-78.3	-55.5	0	0	0	110.5
139	N	56.7	Low	54.2	Low	126 Å²	126	139.9 Å²	139.9	67%	0.674	77%	0.769	S	S	*	*			trans	-142.4	123	162.6	-61.7	-84.2	0	0	0	106.4	D137	D137-N139 PolarHBondContact OD1-ND2 3.43Å
140	N	52.8	Low	54.8	Low	127 Å²	127	140.4 Å²	140.4	68%	0.679	77%	0.768	S	S	*	*			cis	90.6	159.1	48.5	-69.1	-13.5	0	0	0	112.7
141	D	57.3	Low	54.7	Low	140 Å²	140	141.1 Å²	141.1	75%	0.749	77%	0.766	S	S	*	*			trans	72.8	139	169.8	-37.5	-32	0	0	0	115.6
142	D	60.9	Low	54.8	Low	133 Å²	133	140.5 Å²	140.5	71%	0.711	76%	0.763	S	S	*	*			cis	-158.4	175.5	-6.8	-128.1	-13.4	0	0	0	112.2
143	D	61.8	Low	54.5	Low	152 Å²	152	139.2 Å²	139.2	81%	0.813	76%	0.762	S	S	*	*			trans	15.8	141.4	157.3	-63.4	-24.4	0	0	0	120.9
144	G	58.6	Low	54.3	Low	74 Å²	74	135.1 Å²	135.1	76%	0.763	76%	0.755	S	S	*	*			cis	132.1	170.4	39	0	0	0	0	0	107.8
145	D	58.7	Low	54.2	Low	141 Å²	141	136.2 Å²	136.2	75%	0.754	76%	0.761	S	S	*	*			cis	-162.5	169.2	-9.7	-159.6	0.2	0	0	0	109.1
146	D	59.9	Low	54	Low	130 Å²	130	134.2 Å²	134.2	70%	0.695	75%	0.751	S	S	*	*			trans	57.1	163.1	162	-76.4	-31.1	0	0	0	122.7
147	N	55.4	Low	53.8	Low	122 Å²	122	136.1 Å²	136.1	65%	0.652	74%	0.739	S	S	*	*				-172.5	-171.4	-55.3	-107.8	-42.3	0	0	0	110.5
148	D	49.4	Very low	53.2	Low	151 Å²	151	136.7 Å²	136.7	81%	0.807	74%	0.738	S	S	*	*			trans	69.2	118.2	166.1	-55.1	-19.8	0	0	0	118.8
149	V	55.6	Low	53	Low	114 Å²	114	135.8 Å²	135.8	69%	0.691	73%	0.727	S	S	*	*			cis	108.9	158.4	9.9	-171.3	0	0	0	0	115.1
150	E	55.1	Low	52.5	Low	161 Å²	161	137 Å²	137	75%	0.752	73%	0.733	S	S	*	*			trans	77.1	122.5	-178.1	-39.7	-58.1	173.2	0	0	116.3
151	E	51.9	Low	51.9	Low	178 Å²	178	139.2 Å²	139.2	83%	0.832	74%	0.739	S	S	*	*			cis	82.9	132.6	31.9	-65	-161.1	-161.1	0	0	116
152	D	48.2	Very low	51.1	Low	146 Å²	146	137.7 Å²	137.7	78%	0.781	74%	0.735	S	S	*	*			cis	-155.4	-117.6	-15.2	-175.6	64.9	0	0	0	111.6
153	D	48.1	Very low	50.1	Low	160 Å²	160	138.4 Å²	138.4	86%	0.856	73%	0.732	S	S	*	*			trans	69.3	138.3	-179.1	-64	-34.9	0	0	0	117.9
154	G	45.5	Very low	48.7	Very low	66 Å²	66	137.7 Å²	137.7	68%	0.68	72%	0.719	S	S	*	*			cis	163.8	132	-8.4	0	0	0	0	0	114.2
155	E	48	Very low	47.6	Very low	194 Å²	194	141.8 Å²	141.8	91%	0.907	72%	0.723	S	S	*	*			trans	59	163.1	162.2	-66.1	-170.4	173.1	0	0	121.9
156	E	49.3	Very low	46.5	Very low	143 Å²	143	141.4 Å²	141.4	67%	0.668	73%	0.725	S	S	*	*				-162.1	149.4	-53	-141.2	-147.6	155.8	0	0	112.6
157	Q	44.2	Very low	45.2	Very low	119 Å²	119	141.4 Å²	141.4	56%	0.556	72%	0.721	S	S	*	*			trans	57.9	171.1	166.5	-34.1	-168.8	29.9	0	0	117.3	K159	Q157-K159 VanDerWaalsContact OE1-CE 3.24Å
158	E	45.3	Very low	44.1	Very low	152 Å²	152	141.2 Å²	141.2	71%	0.71	73%	0.727	S	S	*	*			cis	-139.5	170.5	-2.1	-84.4	-156.9	144.5	0	0	109.2
159	K	50.9	Low	43.2	Very low	122 Å²	122	139.8 Å²	139.8	53%	0.53	73%	0.725	S	S	.	*			cis	-167.4	164.4	-33.3	-100.2	169.7	-161.7	151	0	107.4	Q157	Q157-K159 VanDerWaalsContact OE1-CE 3.24Å
160	N	45.1	Very low	42.4	Very low	152 Å²	152	140.1 Å²	140.1	81%	0.813	73%	0.733	S	S	*	*			trans	72.2	144.6	164.6	-49.7	-46.5	0	0	0	117.4
161	H	41.5	Very low	41.5	Very low	174 Å²	174	139.7 Å²	139.7	81%	0.806	73%	0.734	S	S	*	*			cis	-173.1	133.3	-19.1	-168.8	-141.2	0	0	0	104.2
162	T	39.1	Very low	40.4	Very low	108 Å²	108	134.7 Å²	134.7	66%	0.663	72%	0.719	S	S	*	*			cis	-144.5	106.8	37.5	48.3	0	0	0	0	111.8
163	K	41.3	Very low	39.7	Very low	148 Å²	148	134.9 Å²	134.9	64%	0.643	72%	0.72	S	S	*	*			trans	-27.5	133	172.4	-76	174.2	138.3	-151	0	115.4	N242	K163-N242 PolarHBondContact NZ-OD1 2.96Å
164	Y	32.5	Very low	39	Very low	136 Å²	136	135.1 Å²	135.1	53%	0.533	72%	0.72	S	S	.	*			cis	-143.5	168.1	20.5	-64.4	-82.2	0	0	0	114	N242	Y164-N242 HydrophobicContact CE1-CB 4.3Å; Y164-N242 VanDerWaalsContact CE1-CG 3.47Å; Y164-N242 WeakPolarHBondContact CE1-OD1 3.44Å; Y164-N242 VanDerWaalsContact OH-CB 3.26Å; Y164-N242 WeakPolarHBondContact OH-CB 3.42Å; Y164-N242 VanDerWaalsContact OH-CG 3.22Å; Y164-N242 PolarHBondContact OH-OD1 3.15Å
165	L	34.5	Very low	38.6	Very low	161 Å²	161	139.8 Å²	139.8	84%	0.843	73%	0.728	S	S	*	*			trans	-59.8	155.6	178.1	-87.2	51.2	0	0	0	113.5
166	T	35.8	Very low	38	Very low	133 Å²	133	135.7 Å²	135.7	82%	0.816	72%	0.718	S	S	*	*			cis	82.6	150.4	27.3	-43.2	0	0	0	0	114.1
167	Q	31.8	Very low	37.1	Very low	130 Å²	130	134 Å²	134	61%	0.607	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-85.9	147.7	-152.3	-65.4	159.4	2.7	0	0	115.9	T65	T65-Q167 HydrophobicContact CG2-CG 4.48Å; T65-Q167 VanDerWaalsContact CG2-NE2 3.25Å; T65-Q167 WeakPolarHBondContact OG1-CG 3.48Å; T65-Q167 PolarHBondContact OG1-NE2 2.79Å; T65-Q167 VanDerWaalsContact OG1-NE2 3.09Å
168	P	32.2	Very low	36.6	Very low	118 Å²	118	133.7 Å²	133.7	77%	0.766	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-76.4	141.4	154.5	32.8	-32.2	0	0	0	111.2
169	P	31.9	Very low	36.1	Very low	120 Å²	120	132 Å²	132	78%	0.779	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-95.1	172.9	-175.3	37.7	-36.7	0	0	0	114.6
170	S	37.6	Very low	35.5	Very low	121 Å²	121	134.5 Å²	134.5	85%	0.846	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-102.6	130	177.8	-55.7	0	0	0	0	113.3
171	I	36	Very low	34.9	Very low	152 Å²	152	134.4 Å²	134.4	78%	0.779	73%	0.734	S	S	*	*			trans	-147.5	127.6	166.6	-56.1	179.5	0	0	0	105.6
172	S	29.7	Very low	34.3	Very low	74 Å²	74	134.9 Å²	134.9	52%	0.517	73%	0.734	S	S	.	*			cis	87.5	101.1	16.6	92.6	0	0	0	0	116.7
173	N	32.4	Very low	34.3	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	73%	0.734	S	S	*	*			trans	71.3	112.7	171.5	-29	-65.7	0	0	0	117.1
174	I	34.5	Very low	34.1	Very low	165 Å²	165	133 Å²	133	85%	0.846	74%	0.741	S	S	*	*				-148.7	129.8	114.9	-60.9	-164	0	0	0	108.2
175	L	37	Very low	34.2	Very low	164 Å²	164	131.8 Å²	131.8	86%	0.859	75%	0.753	S	S	*	*			trans	-114.3	153.3	159.3	-127.5	83.9	0	0	0	106.4
176	P	34.9	Very low	34.5	Very low	108 Å²	108	130 Å²	130	70%	0.701	75%	0.748	S	S	*	*				-160.3	160.1	104.2	39.3	-19.4	0	0	0	119.4
177	S	31.8	Very low	34.5	Very low	108 Å²	108	130.8 Å²	130.8	76%	0.755	75%	0.747	S	S	*	*			trans	54.8	95.1	137.2	-60.9	0	0	0	0	123.5
178	S	32.8	Very low	34.6	Very low	111 Å²	111	131.5 Å²	131.5	78%	0.776	76%	0.755	S	S	*	*				171.1	148.8	128.1	-83.6	0	0	0	0	112.4
179	L	35.6	Very low	34.6	Very low	118 Å²	118	131.4 Å²	131.4	62%	0.618	75%	0.752	S	S	*	*			cis	-157.7	83.3	-12.6	-120.1	175.1	0	0	0	113.7
180	K	36.7	Very low	34.9	Very low	173 Å²	173	132.6 Å²	132.6	75%	0.752	75%	0.751	S	S	*	*			trans	61.5	168.6	147.5	-58.7	170.1	-168.9	169.8	0	120.5
181	H	32.7	Very low	34.7	Very low	151 Å²	151	134.1 Å²	134.1	70%	0.699	75%	0.745	S	S	*	*			trans	76.3	133.2	171.9	-40.3	94.1	0	0	0	115.2
182	F	30.2	Very low	34.7	Very low	184 Å²	184	133.5 Å²	133.5	81%	0.807	74%	0.742	S	S	*	*			cis	-153.9	-172.4	-7.9	-126.2	-35.9	0	0	0	111.2
183	P	38.7	Very low	35	Very low	103 Å²	103	136.6 Å²	136.6	67%	0.669	75%	0.753	S	S	*	*				-105.3	152.7	-112.1	38.8	-34.5	0	0	0	120.9
184	S	36.1	Very low	35.3	Very low	112 Å²	112	134.6 Å²	134.6	78%	0.783	74%	0.742	S	S	*	*				56.4	107.2	126.8	-163.1	0	0	0	0	122.4
185	S	35.3	Very low	35.4	Very low	112 Å²	112	134.6 Å²	134.6	78%	0.783	74%	0.736	S	S	*	*			trans	-167.1	142.3	149.7	39.7	0	0	0	0	111.8
186	T	40.9	Very low	35.4	Very low	123 Å²	123	134.6 Å²	134.6	76%	0.755	73%	0.731	S	S	*	*			cis	-153.7	94.9	-33.4	-6.7	0	0	0	0	112.2
187	L	34.8	Very low	35.1	Very low	150 Å²	150	139 Å²	139	79%	0.785	74%	0.742	S	S	*	*			trans	64.9	157.9	153.3	-93.3	168.3	0	0	0	123.3
188	N	35.9	Very low	35.6	Very low	145 Å²	145	138.6 Å²	138.6	78%	0.775	74%	0.735	S	S	*	*			trans	78.3	135.6	169.9	-53	-26.5	0	0	0	117.9
189	T	32.2	Very low	35.9	Very low	115 Å²	115	140.5 Å²	140.5	71%	0.706	74%	0.736	S	S	*	*			cis	173.9	159	-42.8	-85.8	0	0	0	0	107.1
190	L	37.7	Very low	36	Very low	145 Å²	145	140.3 Å²	140.3	76%	0.759	74%	0.736	S	S	*	*			trans	95.7	96.5	-175.1	-56.5	164.9	0	0	0	112.4
191	E	33.8	Very low	36.4	Very low	154 Å²	154	135.7 Å²	135.7	72%	0.72	72%	0.718	S	S	*	*				97	110.1	64.7	-85.6	-169.1	135.4	0	0	113.3
192	I	35	Very low	36.8	Very low	139 Å²	139	133.6 Å²	133.6	71%	0.713	71%	0.712	S	S	*	*			trans	56.4	112	143.3	-51	161.7	0	0	0	115.7
193	D	35.9	Very low	37	Very low	139 Å²	139	131.1 Å²	131.1	74%	0.743	71%	0.706	S	S	*	*				-161.3	-178.1	61.4	-141.3	-33.8	0	0	0	115.1
194	N	39.6	Very low	36.9	Very low	108 Å²	108	133.7 Å²	133.7	58%	0.578	71%	0.707	S	S	*	*			trans	-61.9	128.4	-157.9	-82	-99.6	0	0	0	120.8
195	K	35.6	Very low	37.1	Very low	165 Å²	165	132.2 Å²	132.2	72%	0.717	69%	0.689	S	S	*	*				62.4	91.7	127.8	-60.5	173.1	179.3	134.7	0	121.2
196	H	36.3	Very low	37.4	Very low	163 Å²	163	132 Å²	132	76%	0.755	68%	0.679	S	S	*	*				171.5	122.8	93.8	-109	-77	0	0	0	111.5	T198	H196-T198 PolarHBondContact O-N 2.74Å
197	E	29.6	Very low	37.6	Very low	200 Å²	200	128.9 Å²	128.9	94%	0.935	66%	0.661	S	S	*	*			trans	-81	105.3	174.6	-66.2	173.8	112.4	0	0	110.9
198	T	42.7	Very low	38	Very low	100 Å²	100	130 Å²	130	61%	0.613	66%	0.66	S	S	*	*			trans	-108.7	121.1	164.4	58.4	0	0	0	0	109.1	H196 N200	H196-T198 PolarHBondContact O-N 2.74Å; T198-N200 PolarHBondContact O-N 3.35Å
199	L	38.6	Very low	38.3	Very low	151 Å²	151	126.6 Å²	126.6	79%	0.791	65%	0.648	S	S	*	*			trans	-38.1	125.9	-168.8	-65.3	170	0	0	0	114.7	M201	L199-M201 VanDerWaalsContact C-N 3.34Å; L199-M201 PolarHBondContact O-N 3.09Å
200	N	37.1	Very low	38.9	Very low	114 Å²	114	126.5 Å²	126.5	61%	0.61	64%	0.643	S	S	*	*			trans	-72.5	84.7	177.5	-175	6.1	0	0	0	111.3	T198 N202	T198-N200 PolarHBondContact O-N 3.35Å; N200-N202 PolarHBondContact O-N 3.43Å; N200-N202 WeakPolarHBondContact OD1-CB 3.23Å; N200-N202 PolarHBondContact OD1-N 3.03Å; N200-N202 PolarHBondContact OD1-ND2 3.46Å
201	M	46.4	Very low	39.5	Very low	76 Å²	76	127.5 Å²	127.5	37%	0.374	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.2	2.5	179.5	-73.8	-75.2	-176.5	0	0	114.9	L199 L203 L220	L199-M201 VanDerWaalsContact C-N 3.34Å; L199-M201 PolarHBondContact O-N 3.09Å; M201-L203 PolarHBondContact O-N 2.99Å; M201-L220 HydrophobicContact CE-CD1 4.48Å
202	N	40.3	Very low	40.1	Very low	107 Å²	107	127.2 Å²	127.2	57%	0.572	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	5.7	177.4	-59.6	-69.8	0	0	0	114.1	N57 N200 F204	N57-N202 PolarHBondContact ND2-OD1 3.32Å; N200-N202 PolarHBondContact O-N 3.43Å; N200-N202 WeakPolarHBondContact OD1-CB 3.23Å; N200-N202 PolarHBondContact OD1-N 3.03Å; N200-N202 PolarHBondContact OD1-ND2 3.46Å; N202-F204 PolarHBondContact O-N 3.42Å
203	L	34.9	Very low	40.7	Very low	132 Å²	132	121.1 Å²	121.1	69%	0.691	61%	0.61	S	S	*	*			trans	-74.1	67.5	166	-114.9	74.3	0	0	0	110.8	M201 I205	M201-L203 PolarHBondContact O-N 2.99Å; L203-I205 HydrophobicContact CB-CG1 4.31Å; L203-I205 HydrophobicContact CD2-CD1 4.31Å; L203-I205 HydrophobicContact CD2-CG1 4.2Å; L203-I205 HydrophobicContact CG-CG1 4.27Å; L203-I205 PolarHBondContact O-N 2.89Å
204	F	36.6	Very low	41.4	Very low	157 Å²	157	117.4 Å²	117.4	69%	0.689	59%	0.59	S	S	*	*			trans	-72.4	77.2	161.2	-164.6	-94.6	0	0	0	108.2	N202 N206	N202-F204 PolarHBondContact O-N 3.42Å; F204-N206 PolarHBondContact O-N 3.41Å
205	I	40.1	Very low	42.1	Very low	81 Å²	81	115.4 Å²	115.4	42%	0.415	58%	0.576	S	S	.	*			trans	-57.9	126.3	-179	-60	175	0	0	0	108	L203 P207	L203-I205 HydrophobicContact CB-CG1 4.31Å; L203-I205 HydrophobicContact CD2-CD1 4.31Å; L203-I205 HydrophobicContact CD2-CG1 4.2Å; L203-I205 HydrophobicContact CG-CG1 4.27Å; L203-I205 PolarHBondContact O-N 2.89Å; I205-P207 WeakPolarHBondContact O-CD 3.24Å; I205-P207 VanDerWaalsContact O-N 3.07Å
206	N	40.5	Very low	42.9	Very low	107 Å²	107	115.2 Å²	115.2	57%	0.572	57%	0.571	S	S	*	*			trans	-50.7	113.9	-178	-170.2	-0.3	0	0	0	110.1	F204 F208 S209	F204-N206 PolarHBondContact O-N 3.41Å; N206-F208 PolarHBondContact O-N 2.57Å; N206-F208 WeakPolarHBondContact OD1-CD2 3.34Å; N206-S209 PolarHBondContact O-N 3.38Å
207	P	45.3	Very low	43.8	Very low	58 Å²	58	109.6 Å²	109.6	38%	0.377	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-2.2	-164.2	24.9	-35.1	0	0	0	114.7	L99 I205	L99-P207 HydrophobicContact CD1-CB 4.01Å; L99-P207 HydrophobicContact CD1-CG 4.06Å; I205-P207 WeakPolarHBondContact O-CD 3.24Å; I205-P207 VanDerWaalsContact O-N 3.07Å
208	F	43.2	Very low	45.3	Very low	173 Å²	173	101.9 Å²	101.9	76%	0.759	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.1	174.1	-62.7	-87.2	0	0	0	113.8	N206	N206-F208 PolarHBondContact O-N 2.57Å; N206-F208 WeakPolarHBondContact OD1-CD2 3.34Å
209	S	42.7	Very low	46	Very low	74 Å²	74	99 Å²	99	52%	0.517	49%	0.491	S	S	.	.	S	Bend	trans	-103.6	101.6	-178.3	-165.2	0	0	0	0	113.4	N206 C213	N206-S209 PolarHBondContact O-N 3.38Å; S209-C213 VanDerWaalsContact O-CB 3.29Å; S209-C213 WeakPolarHBondContact O-CB 3.47Å
210	N	44.1	Very low	47.2	Very low	113 Å²	113	94.4 Å²	94.4	60%	0.604	47%	0.466	S	S	*	.			trans	68	136.8	168.8	-159.5	-55.5	0	0	0	116.4	K212 C213	N210-K212 PolarHBondContact O-N 3.47Å; N210-K212 WeakPolarHBondContact OD1-CB 3.27Å; N210-K212 WeakPolarHBondContact OD1-CG 3.42Å; N210-K212 PolarHBondContact OD1-N 3.28Å; N210-C213 VanDerWaalsContact O-CB 3.26Å; N210-C213 WeakPolarHBondContact O-CB 3.45Å; N210-C213 PolarHBondContact O-N 3.06Å
211	E	50.3	Low	48.4	Very low	166 Å²	166	91.7 Å²	91.7	78%	0.776	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.3	179.2	-169.8	156.2	-133	0	0	113.2	C213 L214	E211-C213 PolarHBondContact O-N 2.95Å; E211-C213 VanDerWaalsContact O-N 3.11Å; E211-L214 PolarHBondContact O-N 3.32Å; E211-L214 VanDerWaalsContact O-N 3.07Å
212	K	47.3	Very low	49.1	Very low	148 Å²	148	93 Å²	93	64%	0.643	45%	0.452	S	S	*	.	H	α-helix	trans	-63.9	-10.2	172.7	-62.1	-175.4	179.5	-173.5	0	114	N210 R216	N210-K212 PolarHBondContact O-N 3.47Å; N210-K212 WeakPolarHBondContact OD1-CB 3.27Å; N210-K212 WeakPolarHBondContact OD1-CG 3.42Å; N210-K212 PolarHBondContact OD1-N 3.28Å; K212-R216 PolarHBondContact O-NH1 2.99Å
213	C	47.7	Very low	50	Low	12 Å²	12	90 Å²	90	8%	0.081	43%	0.434	C	S	.	.	H	α-helix	trans	-85.4	-27	172.9	-162.6	0	0	0	0	112.6	S209 N210 E211 N217	S209-C213 VanDerWaalsContact O-CB 3.29Å; S209-C213 WeakPolarHBondContact O-CB 3.47Å; N210-C213 VanDerWaalsContact O-CB 3.26Å; N210-C213 WeakPolarHBondContact O-CB 3.45Å; N210-C213 PolarHBondContact O-N 3.06Å; E211-C213 PolarHBondContact O-N 2.95Å; E211-C213 VanDerWaalsContact O-N 3.11Å; C213-N217 PolarHBondContact O-N 3.49Å; C213-N217 PolarHBondContact O-ND2 3.25Å
214	L	49.7	Very low	51.2	Low	61 Å²	61	85.1 Å²	85.1	32%	0.319	41%	0.408	S	S	.	.	H	α-helix	trans	-74.9	-40.6	-178.8	-168.8	67.1	0	0	0	111.7	V103 E211 N217 K218	V103-L214 HydrophobicContact CG1-CD1 4.38Å; V103-L214 HydrophobicContact CG1-CD2 4.01Å; V103-L214 HydrophobicContact CG2-CD1 4.08Å; E211-L214 PolarHBondContact O-N 3.32Å; E211-L214 VanDerWaalsContact O-N 3.07Å; L214-N217 PolarHBondContact O-N 2.89Å; L214-K218 PolarHBondContact O-N 2.9Å
215	K	54.9	Low	52.5	Low	65 Å²	65	79.8 Å²	79.8	28%	0.283	39%	0.39	S	S	.	.	H	α-helix	trans	-59.7	-47.2	172.1	-178.1	59	167.4	78.8	0	110.7	D12 G13 N217 K218 D219	D12-K215 VanDerWaalsContact O-CE 3.24Å; D12-K215 WeakPolarHBondContact O-CE 3.37Å; D12-K215 IonicContact OD1-NZ 2.7Å; D12-K215 PolarHBondContact OD1-NZ 3.45Å; G13-K215 PolarHBondContact O-NZ 3.03Å; G13-K215 VanDerWaalsContact O-NZ 3.07Å; K215-N217 VanDerWaalsContact C-N 3.3Å; K215-N217 PolarHBondContact O-N 3.17Å; K215-K218 HydrophobicContact CD-CD 4.35Å; K215-K218 WeakPolarHBondContact O-CA 3.19Å; K215-K218 WeakPolarHBondContact O-CB 3.43Å; K215-K218 PolarHBondContact O-N 2.78Å; K215-D219 WeakPolarHBondContact CD-OD1 3.45Å; K215-D219 WeakPolarHBondContact CD-OD2 3.31Å; K215-D219 VanDerWaalsContact CG-OD2 3.29Å; K215-D219 WeakPolarHBondContact CG-OD2 3.33Å; K215-D219 IonicContact NZ-OD1 3.13Å; K215-D219 PolarHBondContact NZ-OD1 3.4Å; K215-D219 IonicContact NZ-OD2 2.6Å; K215-D219 PolarHBondContact NZ-OD2 2.89Å; K215-D219 PolarHBondContact O-N 2.9Å; K215-D219 VanDerWaalsContact O-OD2 3.11Å
216	R	52	Low	53.5	Low	162 Å²	162	82.2 Å²	82.2	61%	0.611	40%	0.395	S	S	*	.	H	α-helix	trans	-58.5	-34.1	175.4	-70.8	-174.4	-177.5	100.8	-12.2	114.7	K212 D219 L220	K212-R216 PolarHBondContact O-NH1 2.99Å; R216-D219 CarbonylContact O-C 3.36Å; R216-L220 WeakPolarHBondContact O-CB 3.18Å; R216-L220 PolarHBondContact O-N 3.48Å
217	N	55.6	Low	54.6	Low	44 Å²	44	80.2 Å²	80.2	24%	0.235	38%	0.383	C	S	.	.	H	α-helix	trans	-73.2	-32.9	173	-84.5	-48	0	0	0	112.6	C213 L214 K215 D219 L220 I221	C213-N217 PolarHBondContact O-N 3.49Å; C213-N217 PolarHBondContact O-ND2 3.25Å; L214-N217 PolarHBondContact O-N 2.89Å; K215-N217 VanDerWaalsContact C-N 3.3Å; K215-N217 PolarHBondContact O-N 3.17Å; N217-D219 VanDerWaalsContact C-N 3.33Å; N217-L220 PolarHBondContact O-N 2.97Å; N217-I221 WeakPolarHBondContact O-CB 3.32Å; N217-I221 WeakPolarHBondContact O-CG1 3.41Å; N217-I221 PolarHBondContact O-N 2.94Å
218	K	61.7	Low	55.3	Low	39 Å²	39	80.1 Å²	80.1	17%	0.17	38%	0.377	C	S	.	.	H	α-helix	trans	-58.3	-49.7	172.1	-162.3	170.7	170.2	-83.5	0	109.8	L9 K10 H11 L214 K215 L220 I221 R222	L9-K218 HydrophobicContact CD1-CD 4.23Å; K10-K218 HydrophobicContact CB-CD 4.4Å; K10-K218 HydrophobicContact CB-CG 4.04Å; K10-K218 HydrophobicContact CD-CG 3.57Å; K10-K218 HydrophobicContact CG-CD 4.29Å; K10-K218 HydrophobicContact CG-CG 3.64Å; K10-K218 PolarHBondContact NZ-O 2.81Å; H11-K218 VanDerWaalsContact CA-NZ 3.27Å; H11-K218 VanDerWaalsContact N-NZ 3.13Å; L214-K218 PolarHBondContact O-N 2.9Å; K215-K218 HydrophobicContact CD-CD 4.35Å; K215-K218 WeakPolarHBondContact O-CA 3.19Å; K215-K218 WeakPolarHBondContact O-CB 3.43Å; K215-K218 PolarHBondContact O-N 2.78Å; K218-L220 PolarHBondContact O-N 3.38Å; K218-I221 PolarHBondContact O-N 3.48Å; K218-R222 PolarHBondContact O-N 2.91Å; K218-R222 VanDerWaalsContact O-N 3.16Å
219	D	57.7	Low	56.2	Low	40 Å²	40	74.8 Å²	74.8	21%	0.214	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	15.2	178.4	-34.2	-25.8	0	0	0	112.7	H11 E18 K215 R216 N217 Q223	H11-D219 IonicContact CE1-OD1 2.74Å; H11-D219 PolarHBondContact CE1-OD1 3.36Å; H11-D219 VanDerWaalsContact CE1-OD1 3.26Å; H11-D219 IonicContact ND1-OD1 2.68Å; E18-D219 WeakPolarHBondContact OE1-CA 3.29Å; E18-D219 VanDerWaalsContact OE1-O 3.11Å; K215-D219 WeakPolarHBondContact CD-OD1 3.45Å; K215-D219 WeakPolarHBondContact CD-OD2 3.31Å; K215-D219 VanDerWaalsContact CG-OD2 3.29Å; K215-D219 WeakPolarHBondContact CG-OD2 3.33Å; K215-D219 IonicContact NZ-OD1 3.13Å; K215-D219 PolarHBondContact NZ-OD1 3.4Å; K215-D219 IonicContact NZ-OD2 2.6Å; K215-D219 PolarHBondContact NZ-OD2 2.89Å; K215-D219 PolarHBondContact O-N 2.9Å; K215-D219 VanDerWaalsContact O-OD2 3.11Å; R216-D219 CarbonylContact O-C 3.36Å; N217-D219 VanDerWaalsContact C-N 3.33Å; D219-Q223 WeakPolarHBondContact O-CG 3.47Å
220	L	63.5	Low	57	Low	53 Å²	53	76 Å²	76	28%	0.277	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	0.2	166.6	-173.2	54.7	0	0	0	111.8	M201 R216 N217 K218 Q223 Q224	M201-L220 HydrophobicContact CE-CD1 4.48Å; R216-L220 WeakPolarHBondContact O-CB 3.18Å; R216-L220 PolarHBondContact O-N 3.48Å; N217-L220 PolarHBondContact O-N 2.97Å; K218-L220 PolarHBondContact O-N 3.38Å; L220-Q223 HydrophobicContact CD1-CB 4.27Å; L220-Q223 HydrophobicContact CD1-CG 3.89Å; L220-Q223 WeakPolarHBondContact O-CB 3.49Å; L220-Q224 PolarHBondContact O-NE2 3.27Å
221	I	63	Low	57.6	Low	58 Å²	58	72.2 Å²	72.2	30%	0.297	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-27.9	-178.4	-69	170.3	0	0	0	111.8	K10 A96 N217 K218 Q223 Q224 C225	K10-I221 VanDerWaalsContact NZ-CB 3.29Å; K10-I221 VanDerWaalsContact NZ-CG2 3.31Å; A96-I221 HydrophobicContact CB-CD1 4.38Å; N217-I221 WeakPolarHBondContact O-CB 3.32Å; N217-I221 WeakPolarHBondContact O-CG1 3.41Å; N217-I221 PolarHBondContact O-N 2.94Å; K218-I221 PolarHBondContact O-N 3.48Å; I221-Q223 PolarHBondContact O-N 3.39Å; I221-Q224 PolarHBondContact O-N 3.46Å; I221-C225 PolarHBondContact O-N 2.87Å; I221-C225 PolarHBondContact O-SG 2.9Å; I221-C225 VanDerWaalsContact O-SG 3.41Å
222	R	60.6	Low	57.9	Low	104 Å²	104	66.6 Å²	66.6	39%	0.392	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.9	156	177.5	-163.7	-127.9	-174.9	-12.8	108.6	K10 H11 D12 E18 K218 C225 Y226	K10-R222 VanDerWaalsContact NZ-N 3.18Å; H11-R222 WeakPolarHBondContact NE2-CB 3.29Å; D12-R222 IonicContact OD2-CZ 3.67Å; D12-R222 IonicContact OD2-NH1 2.97Å; D12-R222 PolarHBondContact OD2-NH1 3.48Å; E18-R222 VanDerWaalsContact CD-C 3.41Å; E18-R222 WeakPolarHBondContact OE1-CB 3.34Å; E18-R222 VanDerWaalsContact OE2-CB 3.22Å; E18-R222 WeakPolarHBondContact OE2-CB 3.46Å; E18-R222 WeakPolarHBondContact OE2-CD 3.45Å; E18-R222 WeakPolarHBondContact OE2-CG 3.26Å; K218-R222 PolarHBondContact O-N 2.91Å; K218-R222 VanDerWaalsContact O-N 3.16Å; R222-C225 PolarHBondContact O-N 3.35Å; R222-C225 VanDerWaalsContact O-N 3.15Å; R222-Y226 PolarHBondContact O-N 3.19Å
223	Q	58.8	Low	58.2	Low	42 Å²	42	63.7 Å²	63.7	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-46	-73.5	163	-66.5	-88.8	-25.5	0	0	105.3	D17 E18 L19 D219 L220 I221 C225 Y226	D17-Q223 PolarHBondContact O-NE2 3.2Å; D17-Q223 PolarHBondContact O-OE1 3.19Å; E18-Q223 CarbonylContact C-O 3.37Å; E18-Q223 VanDerWaalsContact CA-CA 3.47Å; E18-Q223 HydrophobicContact CB-CB 4.14Å; E18-Q223 HydrophobicContact CB-CG 4.21Å; E18-Q223 HydrophobicContact CG-CB 4.06Å; E18-Q223 HydrophobicContact CG-CG 3.63Å; E18-Q223 WeakPolarHBondContact OE1-CA 3.48Å; E18-Q223 WeakPolarHBondContact OE1-CG 3.41Å; E18-Q223 PolarHBondContact OE1-N 3.32Å; L19-Q223 CarbonylContact C-O 3.05Å; L19-Q223 VanDerWaalsContact CA-C 3.44Å; L19-Q223 WeakPolarHBondContact CA-O 3.39Å; L19-Q223 HydrophobicContact CB-CB 4.06Å; L19-Q223 HydrophobicContact CD1-CB 4.27Å; L19-Q223 HydrophobicContact CG-CB 4.2Å; L19-Q223 VanDerWaalsContact N-CA 3.28Å; L19-Q223 PolarHBondContact N-O 3Å; D219-Q223 WeakPolarHBondContact O-CG 3.47Å; L220-Q223 HydrophobicContact CD1-CB 4.27Å; L220-Q223 HydrophobicContact CD1-CG 3.89Å; L220-Q223 WeakPolarHBondContact O-CB 3.49Å; I221-Q223 PolarHBondContact O-N 3.39Å; Q223-C225 PolarHBondContact O-N 3.18Å; Q223-Y226 PolarHBondContact O-N 3.04Å; Q223-Y226 VanDerWaalsContact O-N 3.13Å
224	Q	59.9	Low	58.7	Low	31 Å²	31	66.9 Å²	66.9	15%	0.145	32%	0.315	C	S	.	.	H	α-helix	trans	-69.1	19.7	-169.9	-62.6	166	77.4	0	0	114.9	L19 R60 L220 I221 F228	L19-Q224 HydrophobicContact CB-CG 3.91Å; L19-Q224 HydrophobicContact CD1-CG 4.11Å; L19-Q224 CarbonylContact O-C 3.59Å; R60-Q224 VanDerWaalsContact NH2-CD 3.31Å; L220-Q224 PolarHBondContact O-NE2 3.27Å; I221-Q224 PolarHBondContact O-N 3.46Å; Q224-F228 WeakPolarHBondContact O-CD2 3.41Å
225	C	63.4	Low	58.7	Low	44 Å²	44	68.6 Å²	68.6	30%	0.297	32%	0.318	S	S	.	.	H	α-helix	trans	-125.7	-18.6	170.1	-63.4	0	0	0	0	117.2	L19 I221 R222 Q223 F228 N229	L19-C225 CarbonylContact O-C 3.42Å; L19-C225 PolarHBondContact O-N 2.93Å; I221-C225 PolarHBondContact O-N 2.87Å; I221-C225 PolarHBondContact O-SG 2.9Å; I221-C225 VanDerWaalsContact O-SG 3.41Å; R222-C225 PolarHBondContact O-N 3.35Å; R222-C225 VanDerWaalsContact O-N 3.15Å; Q223-C225 PolarHBondContact O-N 3.18Å; C225-F228 WeakPolarHBondContact O-CB 3.37Å; C225-N229 PolarHBondContact O-ND2 3.09Å; C225-N229 VanDerWaalsContact O-ND2 3.1Å
226	Y	60.9	Low	58.2	Low	132 Å²	132	69.3 Å²	69.3	52%	0.518	33%	0.33	S	S	.	.	H	α-helix	trans	-86.1	-57.9	-177.6	172.8	-95.2	0	0	0	114	D17 E18 L19 R222 Q223 F228 N229 H230	D17-Y226 WeakPolarHBondContact OD1-CD1 3.35Å; E18-Y226 CarbonylContact O-C 3.53Å; E18-Y226 VanDerWaalsContact O-CB 3.22Å; E18-Y226 WeakPolarHBondContact O-CB 3.48Å; E18-Y226 WeakPolarHBondContact O-CD1 3.36Å; L19-Y226 CarbonylContact O-C 3.54Å; L19-Y226 PolarHBondContact O-N 2.8Å; R222-Y226 PolarHBondContact O-N 3.19Å; Q223-Y226 PolarHBondContact O-N 3.04Å; Q223-Y226 VanDerWaalsContact O-N 3.13Å; Y226-F228 PolarHBondContact O-N 3.38Å; Y226-N229 PolarHBondContact O-N 2.84Å; Y226-H230 PolarHBondContact O-N 3.07Å; Y226-H230 VanDerWaalsContact O-N 3.08Å
227	L	63.9	Low	57.8	Low	65 Å²	65	65 Å²	65	34%	0.34	32%	0.322	S	S	.	.	H	α-helix	trans	-57.1	-9.2	163.9	-50.3	-171.5	0	0	0	112.5	E18 L19 N20 H231	E18-L227 VanDerWaalsContact O-CG 3.32Å; E18-L227 WeakPolarHBondContact O-CG 3.48Å; E18-L227 PolarHBondContact O-N 3.02Å; L19-L227 VanDerWaalsContact C-CB 3.47Å; L19-L227 HydrophobicContact CD2-CD1 4.05Å; L19-L227 CarbonylContact O-C 3.5Å; L19-L227 WeakPolarHBondContact O-CA 3.41Å; L19-L227 WeakPolarHBondContact O-CB 3.46Å; L19-L227 PolarHBondContact O-N 3.44Å; N20-L227 HydrophobicContact CB-CB 4.07Å; N20-L227 PolarHBondContact OD1-O 3.2Å; L227-H231 WeakPolarHBondContact O-CB 2.8Å; L227-H231 PolarHBondContact O-N 3.38Å
228	F	61.3	Low	57.3	Low	57 Å²	57	67.4 Å²	67.4	25%	0.25	34%	0.338	C	S	.	.	H	α-helix	trans	-70.9	-50.8	179.2	-175.7	-63.8	0	0	0	109.2	L19 N20 E21 Q224 C225 Y226 I232	L19-F228 PolarHBondContact O-N 2.85Å; N20-F228 VanDerWaalsContact C-CA 3.46Å; N20-F228 VanDerWaalsContact CA-N 3.35Å; N20-F228 WeakPolarHBondContact O-CD2 3.44Å; E21-F228 VanDerWaalsContact N-CA 3.25Å; E21-F228 WeakPolarHBondContact O-CE2 3.38Å; Q224-F228 WeakPolarHBondContact O-CD2 3.41Å; C225-F228 WeakPolarHBondContact O-CB 3.37Å; Y226-F228 PolarHBondContact O-N 3.38Å; F228-I232 HydrophobicContact CD1-CD1 3.52Å; F228-I232 HydrophobicContact CE1-CD1 3.45Å; F228-I232 VanDerWaalsContact CE1-CD1 3.45Å; F228-I232 WeakPolarHBondContact O-CB 3.38Å; F228-I232 WeakPolarHBondContact O-CD1 3.47Å; F228-I232 VanDerWaalsContact O-CG1 3.23Å; F228-I232 WeakPolarHBondContact O-CG1 3.24Å; F228-I232 PolarHBondContact O-N 3.2Å; F228-I232 VanDerWaalsContact O-N 3.09Å
229	N	60.7	Low	56.4	Low	61 Å²	61	71.4 Å²	71.4	33%	0.326	36%	0.362	S	S	.	.	H	α-helix	trans	-72.2	-36.2	174.2	-60	-45	0	0	0	110.1	C225 Y226 H231 I232 N233	C225-N229 PolarHBondContact O-ND2 3.09Å; C225-N229 VanDerWaalsContact O-ND2 3.1Å; Y226-N229 PolarHBondContact O-N 2.84Å; N229-H231 PolarHBondContact O-N 3.15Å; N229-I232 PolarHBondContact O-N 2.95Å; N229-N233 WeakPolarHBondContact O-CB 3.2Å; N229-N233 PolarHBondContact O-N 3.11Å; N229-N233 PolarHBondContact O-ND2 3.49Å; N229-N233 PolarHBondContact O-OD1 3.36Å
230	H	60.6	Low	55.7	Low	98 Å²	98	75.2 Å²	75.2	45%	0.454	38%	0.382	S	S	.	.	H	α-helix	trans	-59.9	-46.1	174.3	-165.8	-107.4	0	0	0	113	Y226 N233 N234	Y226-H230 PolarHBondContact O-N 3.07Å; Y226-H230 VanDerWaalsContact O-N 3.08Å; H230-N233 PolarHBondContact O-N 3.15Å; H230-N234 PolarHBondContact CD2-ND2 3.28Å; H230-N234 PolarHBondContact CE1-ND2 3.11Å; H230-N234 PolarHBondContact ND1-ND2 2.91Å; H230-N234 PolarHBondContact NE2-ND2 2.72Å; H230-N234 VanDerWaalsContact NE2-ND2 3.19Å; H230-N234 WeakPolarHBondContact O-CB 3.28Å; H230-N234 PolarHBondContact O-N 2.71Å; H230-N234 PolarHBondContact O-ND2 3.49Å
231	H	56.8	Low	54.7	Low	35 Å²	35	78.6 Å²	78.6	16%	0.162	40%	0.4	C	S	.	.	H	α-helix	trans	-72.5	-36.3	-179.6	-156.8	-105.5	0	0	0	111.9	N20 E21 L227 N229 Y235	N20-H231 PolarHBondContact ND2-CD2 3.45Å; N20-H231 VanDerWaalsContact ND2-CD2 3.35Å; N20-H231 VanDerWaalsContact ND2-CG 3.34Å; N20-H231 WeakPolarHBondContact OD1-CB 3.43Å; E21-H231 IonicContact OE2-CE1 3.18Å; E21-H231 IonicContact OE2-ND1 2.78Å; E21-H231 PolarHBondContact OE2-ND1 3.37Å; L227-H231 WeakPolarHBondContact O-CB 2.8Å; L227-H231 PolarHBondContact O-N 3.38Å; N229-H231 PolarHBondContact O-N 3.15Å; H231-Y235 AromaticContact CD2-CE2 3.7Å; H231-Y235 AromaticContact CE1-CD2 3.71Å; H231-Y235 AromaticContact CE1-CE2 3.41Å; H231-Y235 VanDerWaalsContact CE1-CE2 3.41Å; H231-Y235 WeakPolarHBondContact CE1-CE2 3.42Å; H231-Y235 AromaticContact CE1-CZ 3.99Å; H231-Y235 AromaticContact CG-CD2 3.98Å; H231-Y235 AromaticContact ND1-CD2 3.8Å; H231-Y235 AromaticContact ND1-CE2 3.96Å; H231-Y235 AromaticContact NE2-CD2 3.9Å; H231-Y235 AromaticContact NE2-CE2 3.26Å; H231-Y235 VanDerWaalsContact NE2-CE2 3.26Å; H231-Y235 WeakPolarHBondContact NE2-CE2 3.33Å; H231-Y235 AromaticContact NE2-CZ 3.95Å; H231-Y235 WeakPolarHBondContact O-CB 3.1Å; H231-Y235 WeakPolarHBondContact O-CD2 3.18Å; H231-Y235 PolarHBondContact O-N 3.18Å
232	I	56.1	Low	53.7	Low	48 Å²	48	78.8 Å²	78.8	25%	0.246	40%	0.402	C	S	.	.	H	α-helix	trans	-56.3	-55.3	169.2	-73.2	168.6	0	0	0	109.5	E21 F228 N229 N234 Y235 C236	E21-I232 HydrophobicContact CB-CG1 4.39Å; F228-I232 HydrophobicContact CD1-CD1 3.52Å; F228-I232 HydrophobicContact CE1-CD1 3.45Å; F228-I232 VanDerWaalsContact CE1-CD1 3.45Å; F228-I232 WeakPolarHBondContact O-CB 3.38Å; F228-I232 WeakPolarHBondContact O-CD1 3.47Å; F228-I232 VanDerWaalsContact O-CG1 3.23Å; F228-I232 WeakPolarHBondContact O-CG1 3.24Å; F228-I232 PolarHBondContact O-N 3.2Å; F228-I232 VanDerWaalsContact O-N 3.09Å; N229-I232 PolarHBondContact O-N 2.95Å; I232-N234 PolarHBondContact O-N 3.09Å; I232-Y235 PolarHBondContact O-N 3.11Å; I232-C236 VanDerWaalsContact O-CB 3.24Å; I232-C236 WeakPolarHBondContact O-CB 3.31Å; I232-C236 PolarHBondContact O-N 2.86Å; I232-C236 PolarHBondContact O-SG 3.46Å; I232-C236 VanDerWaalsContact O-SG 3.36Å
233	N	53.9	Low	52.7	Low	86 Å²	86	81 Å²	81	46%	0.46	42%	0.422	S	S	.	.	H	α-helix	trans	-61.7	-45	-173.5	-66.4	-4.8	0	0	0	111.1	N229 H230 Y235 C236 T237	N229-N233 WeakPolarHBondContact O-CB 3.2Å; N229-N233 PolarHBondContact O-N 3.11Å; N229-N233 PolarHBondContact O-ND2 3.49Å; N229-N233 PolarHBondContact O-OD1 3.36Å; H230-N233 PolarHBondContact O-N 3.15Å; N233-Y235 PolarHBondContact O-N 2.88Å; N233-C236 PolarHBondContact O-N 2.89Å; N233-T237 WeakPolarHBondContact O-CG2 3.31Å; N233-T237 PolarHBondContact O-N 3.42Å; N233-T237 VanDerWaalsContact O-N 3.11Å; N233-T237 PolarHBondContact O-OG1 3.12Å; N233-T237 VanDerWaalsContact O-OG1 3.07Å
234	N	57.5	Low	52.1	Low	80 Å²	80	85.7 Å²	85.7	43%	0.428	45%	0.446	S	S	.	.	H	α-helix	trans	-69.8	-25.4	178.6	-78.1	-84.5	0	0	0	114.8	H230 I232 V238	H230-N234 PolarHBondContact CD2-ND2 3.28Å; H230-N234 PolarHBondContact CE1-ND2 3.11Å; H230-N234 PolarHBondContact ND1-ND2 2.91Å; H230-N234 PolarHBondContact NE2-ND2 2.72Å; H230-N234 VanDerWaalsContact NE2-ND2 3.19Å; H230-N234 WeakPolarHBondContact O-CB 3.28Å; H230-N234 PolarHBondContact O-N 2.71Å; H230-N234 PolarHBondContact O-ND2 3.49Å; I232-N234 PolarHBondContact O-N 3.09Å; N234-V238 VanDerWaalsContact O-CG2 3.31Å; N234-V238 WeakPolarHBondContact O-CG2 3.31Å
235	Y	50.9	Low	51	Low	96 Å²	96	91.6 Å²	91.6	38%	0.376	48%	0.479	S	S	.	.	H	α-helix	trans	-92.8	-17.4	174.5	-82.6	-100.2	0	0	0	113.4	H231 I232 N233 N239	H231-Y235 AromaticContact CD2-CE2 3.7Å; H231-Y235 AromaticContact CE1-CD2 3.71Å; H231-Y235 AromaticContact CE1-CE2 3.41Å; H231-Y235 VanDerWaalsContact CE1-CE2 3.41Å; H231-Y235 WeakPolarHBondContact CE1-CE2 3.42Å; H231-Y235 AromaticContact CE1-CZ 3.99Å; H231-Y235 AromaticContact CG-CD2 3.98Å; H231-Y235 AromaticContact ND1-CD2 3.8Å; H231-Y235 AromaticContact ND1-CE2 3.96Å; H231-Y235 AromaticContact NE2-CD2 3.9Å; H231-Y235 AromaticContact NE2-CE2 3.26Å; H231-Y235 VanDerWaalsContact NE2-CE2 3.26Å; H231-Y235 WeakPolarHBondContact NE2-CE2 3.33Å; H231-Y235 AromaticContact NE2-CZ 3.95Å; H231-Y235 WeakPolarHBondContact O-CB 3.1Å; H231-Y235 WeakPolarHBondContact O-CD2 3.18Å; H231-Y235 PolarHBondContact O-N 3.18Å; I232-Y235 PolarHBondContact O-N 3.11Å; N233-Y235 PolarHBondContact O-N 2.88Å; Y235-N239 PolarHBondContact O-ND2 2.84Å
236	C	43.2	Very low	49.7	Very low	80 Å²	80	97 Å²	97	54%	0.541	51%	0.505	S	S	.	.	H	α-helix	trans	-86.4	-39.2	176.9	-75.3	0	0	0	0	113.5	I232 N233	I232-C236 VanDerWaalsContact O-CB 3.24Å; I232-C236 WeakPolarHBondContact O-CB 3.31Å; I232-C236 PolarHBondContact O-N 2.86Å; I232-C236 PolarHBondContact O-SG 3.46Å; I232-C236 VanDerWaalsContact O-SG 3.36Å; N233-C236 PolarHBondContact O-N 2.89Å
237	T	44.9	Very low	48.7	Very low	72 Å²	72	97.3 Å²	97.3	44%	0.442	52%	0.516	S	S	.	.	H	α-helix	trans	-62.5	-54.1	179	48.6	0	0	0	0	112.1	N233 N239 N240	N233-T237 WeakPolarHBondContact O-CG2 3.31Å; N233-T237 PolarHBondContact O-N 3.42Å; N233-T237 VanDerWaalsContact O-N 3.11Å; N233-T237 PolarHBondContact O-OG1 3.12Å; N233-T237 VanDerWaalsContact O-OG1 3.07Å; T237-N239 PolarHBondContact O-N 2.88Å; T237-N240 PolarHBondContact O-N 2.82Å
238	V	44.9	Very low	47.6	Very low	95 Å²	95	101.5 Å²	101.5	58%	0.576	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-24.8	-176.6	177.4	0	0	0	0	114	N234 N242	N234-V238 VanDerWaalsContact O-CG2 3.31Å; N234-V238 WeakPolarHBondContact O-CG2 3.31Å; V238-N242 PolarHBondContact O-ND2 2.82Å; V238-N242 VanDerWaalsContact O-ND2 3.15Å
239	N	43.1	Very low	46.7	Very low	123 Å²	123	106 Å²	106	66%	0.658	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-8.3	-179	-72.3	-72.9	0	0	0	115	Y235 T237	Y235-N239 PolarHBondContact O-ND2 2.84Å; T237-N239 PolarHBondContact O-N 2.88Å
240	N	41.8	Very low	46	Very low	119 Å²	119	109.5 Å²	109.5	64%	0.636	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-38.5	-173.3	-139.1	22.2	0	0	0	113	T237 N242	T237-N240 PolarHBondContact O-N 2.82Å; N240-N242 PolarHBondContact O-N 3.05Å
241	D	42.4	Very low	45.2	Very low	125 Å²	125	111.4 Å²	111.4	67%	0.668	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	11.4	-175.3	-52	-41.5	0	0	0	114
242	N	42.5	Very low	44.5	Very low	62 Å²	62	116.8 Å²	116.8	33%	0.332	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.3	10	-168.4	-95.3	-54.8	0	0	0	113.6	K163 Y164 V238 N240	K163-N242 PolarHBondContact NZ-OD1 2.96Å; Y164-N242 HydrophobicContact CE1-CB 4.3Å; Y164-N242 VanDerWaalsContact CE1-CG 3.47Å; Y164-N242 WeakPolarHBondContact CE1-OD1 3.44Å; Y164-N242 VanDerWaalsContact OH-CB 3.26Å; Y164-N242 WeakPolarHBondContact OH-CB 3.42Å; Y164-N242 VanDerWaalsContact OH-CG 3.22Å; Y164-N242 PolarHBondContact OH-OD1 3.15Å; V238-N242 PolarHBondContact O-ND2 2.82Å; V238-N242 VanDerWaalsContact O-ND2 3.15Å; N240-N242 PolarHBondContact O-N 3.05Å
243	N	40.4	Very low	43.8	Very low	151 Å²	151	125.1 Å²	125.1	81%	0.807	66%	0.656	S	S	*	*	S	Bend	trans	-142.3	23.6	-175.4	-163.2	32.3	0	0	0	114.1
244	I	44.5	Very low	43.3	Very low	139 Å²	139	130.3 Å²	130.3	71%	0.713	67%	0.674	S	S	*	*	S	Bend	trans	-122.2	151.8	173.2	-60.5	179.5	0	0	0	107.9
245	N	37.2	Very low	42.5	Very low	156 Å²	156	133.7 Å²	133.7	83%	0.834	69%	0.692	S	S	*	*			trans	61.4	63.7	-177.1	-67.4	-7.6	0	0	0	116.1
246	N	36.2	Very low	41.6	Very low	157 Å²	157	134.4 Å²	134.4	84%	0.84	71%	0.712	S	S	*	*			trans	-129.4	58.3	149.4	-169.7	15.2	0	0	0	111
247	N	40.3	Very low	41.7	Very low	138 Å²	138	138.2 Å²	138.2	74%	0.738	73%	0.725	S	S	*	*			trans	-176.3	110	163.3	-103.5	-31.3	0	0	0	111
248	N	40.6	Very low	41.3	Very low	154 Å²	154	142.6 Å²	142.6	82%	0.824	75%	0.745	S	S	*	*				158.5	118.5	122.5	-80.8	-22.7	0	0	0	111.7
249	N	42.7	Very low	40.8	Very low	150 Å²	150	141.6 Å²	141.6	80%	0.802	76%	0.755	S	S	*	*			trans	-75.2	161.9	168.5	-78.8	-29.8	0	0	0	111.9
250	N	44.7	Very low	40.5	Very low	136 Å²	136	144.8 Å²	144.8	73%	0.727	77%	0.768	S	S	*	*			trans	104.4	99.7	155.4	-56.6	-47.3	0	0	0	118.6
251	N	44	Very low	40.3	Very low	138 Å²	138	145.8 Å²	145.8	74%	0.738	77%	0.773	S	S	*	*				73.3	90.1	119.4	-56.8	-25.4	0	0	0	120.5
252	N	42.4	Very low	40.4	Very low	148 Å²	148	148.8 Å²	148.8	79%	0.791	78%	0.78	S	S	*	*				81.6	145.8	111.9	-143.5	-20.1	0	0	0	119.3
253	R	40.9	Very low	39.8	Very low	223 Å²	223	149.5 Å²	149.5	84%	0.842	80%	0.802	S	S	*	*			trans	77.6	89.7	169.5	-56	-178.1	177.7	-178.2	-1.4	119.2
254	K	44.6	Very low	39.5	Very low	194 Å²	194	154.2 Å²	154.2	84%	0.843	81%	0.808	S	S	*	*				32.3	149.9	115.6	-66.2	-168.4	174.2	-171.1	0	121.1
255	N	40.5	Very low	38.9	Very low	151 Å²	151	152 Å²	152	81%	0.807	81%	0.805	S	S	*	*			trans	83.2	109.6	173.7	-54.3	-1.8	0	0	0	112.4
256	S	32.7	Very low	38.8	Very low	112 Å²	112	152.7 Å²	152.7	78%	0.783	81%	0.807	S	S	*	*				72.5	95.4	62.2	-172.6	0	0	0	0	112.6
257	I	44.6	Very low	39	Very low	159 Å²	159	153.4 Å²	153.4	82%	0.815	80%	0.803	S	S	*	*			trans	-171.1	140.2	141	-106.4	164.2	0	0	0	109.1	G259	I257-G259 PolarHBondContact O-N 2.91Å
258	D	35.6	Very low	38.8	Very low	164 Å²	164	156.6 Å²	156.6	88%	0.877	81%	0.81	S	S	*	*			trans	-65.7	124.4	175.9	-62.1	-83.7	0	0	0	111.8
259	G	34.7	Very low	38.5	Very low	75 Å²	75	152.8 Å²	152.8	77%	0.773	81%	0.807	S	S	*	*			trans	-137.6	60	-169.8	0	0	0	0	0	112.7	I257	I257-G259 PolarHBondContact O-N 2.91Å
260	M	36.5	Very low	38.6	Very low	189 Å²	189	150.5 Å²	150.5	93%	0.931	80%	0.795	S	S	*	*			trans	-57.3	147.7	-179.1	-71.1	-171.6	174.3	0	0	113.7
261	N	38.9	Very low	38.7	Very low	141 Å²	141	148.6 Å²	148.6	75%	0.754	78%	0.78	S	S	*	*			trans	99.6	153.2	141.6	-149.7	-10.9	0	0	0	118.6
262	K	43.7	Very low	38.8	Very low	188 Å²	188	146.3 Å²	146.3	82%	0.817	77%	0.767	S	S	*	*			trans	81.7	51.8	161.1	-51.3	178	-171.1	167.1	0	119.4
263	G	31.2	Very low	38.5	Very low	76 Å²	76	148.8 Å²	148.8	78%	0.784	77%	0.766	S	S	*	*				85.9	108.4	103.5	0	0	0	0	0	120.6
264	R	32.4	Very low	38.7	Very low	250 Å²	250	140.3 Å²	140.3	94%	0.943	74%	0.74	S	S	*	*			trans	-115.7	132.9	136.9	-83.2	-172.8	171.8	-174.1	-1.3	109.2	I266	R264-I266 PolarHBondContact O-N 2.75Å
265	S	31.6	Very low	38.5	Very low	93 Å²	93	133.7 Å²	133.7	65%	0.65	72%	0.717	S	S	*	*			trans	-87.7	105.2	-179.1	-72.9	0	0	0	0	111.5	K267	S265-K267 WeakPolarHBondContact OG-CE 3.41Å
266	I	36.4	Very low	38.6	Very low	170 Å²	170	128.7 Å²	128.7	87%	0.872	70%	0.696	S	S	*	*			trans	-119.2	84.9	153.5	-56.4	179.1	0	0	0	104.8	R264	R264-I266 PolarHBondContact O-N 2.75Å
267	K	40.5	Very low	39.3	Very low	173 Å²	173	125.3 Å²	125.3	75%	0.752	67%	0.669	S	S	*	*			trans	-86.7	128.8	-161	-79.2	-178.4	173.7	179.7	0	112.8	S265	S265-K267 WeakPolarHBondContact OG-CE 3.41Å
268	K	35.6	Very low	39.5	Very low	205 Å²	205	127 Å²	127	89%	0.891	67%	0.673	S	S	*	*			trans	61.1	58.2	162.1	-59.3	-166.6	172.8	-162.5	0	116.2
269	G	33.8	Very low	40	Very low	73 Å²	73	123.8 Å²	123.8	75%	0.753	66%	0.656	S	S	*	*			trans	-95.9	94.5	163.5	0	0	0	0	0	111.7
270	N	45.4	Very low	40.2	Very low	103 Å²	103	127.1 Å²	127.1	55%	0.551	65%	0.651	S	S	*	*			trans	-173.4	40.6	157.1	-109.9	19.4	0	0	0	111.4	I283	N270-I283 HydrophobicContact CB-CB 4.31Å; N270-I283 WeakPolarHBondContact O-CB 3.37Å; N270-I283 WeakPolarHBondContact O-CG1 3.24Å; N270-I283 PolarHBondContact O-N 2.65Å
271	K	47.4	Very low	40.6	Very low	95 Å²	95	125.3 Å²	125.3	41%	0.413	64%	0.641	S	S	.	*	B	Isolated β-bridge	trans	-130.1	127.8	173.7	-64.5	-155.9	-179.9	-143.7	0	110	E280 E282	K271-E280 WeakPolarHBondContact CD-OE2 3.48Å; K271-E280 IonicContact NZ-OE2 2.96Å; K271-E280 PolarHBondContact NZ-OE2 2.97Å; K271-E282 WeakPolarHBondContact CE-OE1 2.94Å; K271-E282 IonicContact NZ-OE1 2.73Å; K271-E282 PolarHBondContact NZ-OE1 2.76Å
272	I	45.5	Very low	40.6	Very low	91 Å²	91	125.5 Å²	125.5	47%	0.467	64%	0.637	S	S	.	*			trans	-107.4	114.4	175	-62.5	174.4	0	0	0	107.6	C274 I283	I272-C274 PolarHBondContact O-N 3.44Å; I272-I283 HydrophobicContact CD1-CD1 4.23Å; I272-I283 HydrophobicContact CG1-CD1 4.27Å
273	W	36.4	Very low	40.5	Very low	200 Å²	200	120.3 Å²	120.3	76%	0.758	62%	0.617	S	S	*	*			trans	-74.7	121.4	177.2	-177.8	66.3	0	0	0	110.6	P275	W273-P275 HydrophobicContact CE3-CB 4.15Å; W273-P275 HydrophobicContact CE3-CG 4.26Å; W273-P275 HydrophobicContact CH2-CB 3.61Å; W273-P275 HydrophobicContact CH2-CG 4.49Å; W273-P275 HydrophobicContact CZ2-CB 4.04Å; W273-P275 HydrophobicContact CZ3-CB 3.66Å; W273-P275 HydrophobicContact CZ3-CG 4.05Å; W273-P275 VanDerWaalsContact O-CD 3.24Å; W273-P275 WeakPolarHBondContact O-CD 3.19Å
274	C	44.9	Very low	40.8	Very low	45 Å²	45	128.3 Å²	128.3	30%	0.304	63%	0.634	S	S	.	*			trans	-104.2	96.7	178.3	-161.5	0	0	0	0	110.3	I272 A276 L277	I272-C274 PolarHBondContact O-N 3.44Å; C274-A276 PolarHBondContact O-N 2.82Å; C274-L277 PolarHBondContact O-N 3.18Å
275	P	41.2	Very low	41.2	Very low	55 Å²	55	122.3 Å²	122.3	36%	0.357	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.6	-7.9	-171.1	15.5	-29.3	0	0	0	117.1	W273	W273-P275 HydrophobicContact CE3-CB 4.15Å; W273-P275 HydrophobicContact CE3-CG 4.26Å; W273-P275 HydrophobicContact CH2-CB 3.61Å; W273-P275 HydrophobicContact CH2-CG 4.49Å; W273-P275 HydrophobicContact CZ2-CB 4.04Å; W273-P275 HydrophobicContact CZ3-CB 3.66Å; W273-P275 HydrophobicContact CZ3-CG 4.05Å; W273-P275 VanDerWaalsContact O-CD 3.24Å; W273-P275 WeakPolarHBondContact O-CD 3.19Å
276	A	41.8	Very low	41.7	Very low	45 Å²	45	123.8 Å²	123.8	37%	0.372	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.7	-50.2	174.9	0	0	0	0	0	112	Q7 Q8 C274 E278	Q7-A276 CarbonylContact O-C 3.44Å; Q7-A276 WeakPolarHBondContact O-CA 3.26Å; Q8-A276 CarbonylContact C-O 3.54Å; Q8-A276 CarbonylContact O-C 3.19Å; C274-A276 PolarHBondContact O-N 2.82Å; A276-E278 PolarHBondContact O-N 2.78Å
277	L	47.5	Very low	42	Very low	41 Å²	41	121.2 Å²	121.2	22%	0.215	60%	0.603	C	S	.	*	T	Hydrogen-bonded Turn	trans	-82.4	-10.1	-163.6	-85.4	129.9	0	0	0	115.5	L9 K10 C274 L279	L9-L277 VanDerWaalsContact O-CA 3.29Å; L9-L277 WeakPolarHBondContact O-CA 3.37Å; L9-L277 VanDerWaalsContact O-CD2 3.24Å; L9-L277 WeakPolarHBondContact O-CD2 3.47Å; L9-L277 WeakPolarHBondContact O-CG 3.45Å; K10-L277 HydrophobicContact CB-CD2 4.21Å; C274-L277 PolarHBondContact O-N 3.18Å; L277-L279 HydrophobicContact CB-CB 4.35Å; L277-L279 HydrophobicContact CB-CD1 4.37Å; L277-L279 HydrophobicContact CD2-CD1 4.11Å; L277-L279 PolarHBondContact O-N 2.92Å
278	E	47.9	Very low	42.1	Very low	194 Å²	194	118.2 Å²	118.2	91%	0.907	59%	0.594	S	S	*	*			trans	51	18.4	-173.5	-156.1	154.5	-131.5	0	0	114.2	A276	A276-E278 PolarHBondContact O-N 2.78Å
279	L	46.7	Very low	42.5	Very low	97 Å²	97	112.8 Å²	112.8	51%	0.508	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-102.1	121.8	179.2	-78.6	165.5	0	0	0	110.4	L277 Q281	L277-L279 HydrophobicContact CB-CB 4.35Å; L277-L279 HydrophobicContact CB-CD1 4.37Å; L277-L279 HydrophobicContact CD2-CD1 4.11Å; L277-L279 PolarHBondContact O-N 2.92Å; L279-Q281 PolarHBondContact O-N 3.43Å
280	E	38.7	Very low	43	Very low	146 Å²	146	115.4 Å²	115.4	68%	0.682	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-74.2	117	155.2	-71.9	-163.1	-167.3	0	0	108.7	K271	K271-E280 WeakPolarHBondContact CD-OE2 3.48Å; K271-E280 IonicContact NZ-OE2 2.96Å; K271-E280 PolarHBondContact NZ-OE2 2.97Å
281	Q	45.7	Very low	42.9	Very low	151 Å²	151	116.3 Å²	116.3	71%	0.706	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-98.9	126.7	159.7	-69	-169.8	-60.4	0	0	108.8	L279	L279-Q281 PolarHBondContact O-N 3.43Å
282	E	37.3	Very low	42.5	Very low	145 Å²	145	117.9 Å²	117.9	68%	0.678	58%	0.576	S	S	*	*	B	Isolated β-bridge	trans	-79.4	124.7	170	-154.1	131.9	-114.9	0	0	107.2	K271 H284	K271-E282 WeakPolarHBondContact CE-OE1 2.94Å; K271-E282 IonicContact NZ-OE1 2.73Å; K271-E282 PolarHBondContact NZ-OE1 2.76Å; E282-H284 PolarHBondContact O-N 3.06Å
283	I	43.6	Very low	42.3	Very low	79 Å²	79	120.2 Å²	120.2	41%	0.405	59%	0.585	S	S	.	*			trans	-76.6	113.3	175.5	-59.2	174.5	0	0	0	106.8	N270 I272	N270-I283 HydrophobicContact CB-CB 4.31Å; N270-I283 WeakPolarHBondContact O-CB 3.37Å; N270-I283 WeakPolarHBondContact O-CG1 3.24Å; N270-I283 PolarHBondContact O-N 2.65Å; I272-I283 HydrophobicContact CD1-CD1 4.23Å; I272-I283 HydrophobicContact CG1-CD1 4.27Å
284	H	35.6	Very low	42.8	Very low	244 Å²	244	112.9 Å²	112.9	100%	1.13	57%	0.569	S	S	*	*			trans	-81.2	0	-178.2	-145.3	-41.3	0	0	0	112.8	E282	E282-H284 PolarHBondContact O-N 3.06Å

Retrieved 284 of 284 residues in 111.6 ms (Link to these results)

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