A0A5K4EQN2_SCHMA Loading...

DUF4065 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EQN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 281 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	37.9	Very low	36.1	Very low	249 Å²	249	166 Å²	166	100%	1.227	87%	0.867	S	S	*	*				0	100	0	-80.4	171.9	149.5	0	0	106.8
2	I	36.2	Very low	36.3	Very low	168 Å²	168	156.9 Å²	156.9	86%	0.862	83%	0.825	S	S	*	*			trans	-124.2	120.2	-179.7	-61.4	176.4	0	0	0	105.2
3	E	37.2	Very low	37.1	Very low	175 Å²	175	151.3 Å²	151.3	82%	0.818	80%	0.802	S	S	*	*			trans	-61.4	137.4	-171.2	-67.4	172.9	148.6	0	0	112.1	L5	E3-L5 PolarHBondContact O-N 2.87Å
4	N	36.9	Very low	36.9	Very low	162 Å²	162	154.8 Å²	154.8	87%	0.866	80%	0.798	S	S	*	*			trans	-60.1	97.9	172.6	-78.9	-33.8	0	0	0	110.4	N6	N4-N6 PolarHBondContact O-N 3.29Å
5	L	36.3	Very low	36.6	Very low	166 Å²	166	151.8 Å²	151.8	87%	0.869	78%	0.783	S	S	*	*			trans	-81.1	97.5	169.5	-84.9	151.9	0	0	0	109.3	E3	E3-L5 PolarHBondContact O-N 2.87Å
6	N	35.3	Very low	36.8	Very low	149 Å²	149	143.5 Å²	143.5	80%	0.797	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-55.1	128.5	168.6	-87.6	-27.1	0	0	0	110.5	N4 K8	N4-N6 PolarHBondContact O-N 3.29Å; N6-K8 PolarHBondContact O-N 2.93Å
7	P	31.1	Very low	36.9	Very low	121 Å²	121	143.4 Å²	143.4	79%	0.786	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-65.1	132.1	174.5	25.8	-31.3	0	0	0	110.4
8	K	37.8	Very low	36.7	Very low	195 Å²	195	139.3 Å²	139.3	85%	0.848	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-66.7	143.2	172.8	-89.5	-179.4	175.3	179.9	0	110.5	N6	N6-K8 PolarHBondContact O-N 2.93Å
9	P	34.7	Very low	36.8	Very low	123 Å²	123	136.7 Å²	136.7	80%	0.799	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-60.6	141.3	176.9	24.4	-32.2	0	0	0	111.4
10	L	32.7	Very low	37	Very low	172 Å²	172	133.5 Å²	133.5	90%	0.901	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-60	139.3	175.4	-75.4	156.1	0	0	0	110
11	L	40.9	Very low	36.9	Very low	146 Å²	146	130.9 Å²	130.9	76%	0.764	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-59.3	141.7	170.4	-81.6	155.4	0	0	0	109.2	T13	L11-T13 PolarHBondContact O-N 3.3Å; L11-T13 VanDerWaalsContact O-N 3.14Å
12	P	38.4	Very low	36.9	Very low	57 Å²	57	123 Å²	123	37%	0.37	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-55.6	124.6	177.1	20.1	-29.3	0	0	0	109.2	A16 R17	P12-A16 HydrophobicContact CB-CB 3.44Å; P12-A16 VanDerWaalsContact CB-CB 3.44Å; P12-R17 HydrophobicContact CB-CG 4.29Å; P12-R17 HydrophobicContact CG-CG 4.4Å
13	T	46.5	Very low	37	Very low	84 Å²	84	120.2 Å²	120.2	52%	0.515	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-52.5	161.2	170.2	35.1	0	0	0	0	109.9	L11 I15 A16 R17	L11-T13 PolarHBondContact O-N 3.3Å; L11-T13 VanDerWaalsContact O-N 3.14Å; T13-I15 PolarHBondContact O-N 2.8Å; T13-I15 VanDerWaalsContact O-N 3.09Å; T13-A16 PolarHBondContact O-N 2.81Å; T13-A16 PolarHBondContact OG1-N 3.18Å; T13-R17 PolarHBondContact O-N 2.86Å
14	R	34.2	Very low	36.9	Very low	200 Å²	200	114.7 Å²	114.7	76%	0.755	60%	0.604	S	S	*	*	H	α-helix	trans	-48.6	-35.7	169.7	-81.5	178.5	169	179.7	-6.8	111.1	R17 L18	R14-R17 PolarHBondContact O-N 3.02Å; R14-L18 PolarHBondContact O-N 3.41Å
15	I	33.6	Very low	37	Very low	110 Å²	110	112.8 Å²	112.8	56%	0.564	59%	0.588	S	S	*	*	H	α-helix	trans	-60.6	-53.3	172.8	-60.5	165.4	0	0	0	112.1	T13 R17 L18 E19	T13-I15 PolarHBondContact O-N 2.8Å; T13-I15 VanDerWaalsContact O-N 3.09Å; I15-R17 PolarHBondContact O-N 3.46Å; I15-L18 WeakPolarHBondContact O-CB 3.35Å; I15-L18 PolarHBondContact O-N 3.01Å; I15-E19 PolarHBondContact O-N 3.45Å
16	A	39.3	Very low	36.9	Very low	19 Å²	19	111.8 Å²	111.8	16%	0.157	59%	0.589	C	S	.	*	H	α-helix	trans	-65	-23	-179.9	0	0	0	0	0	114.5	P12 T13 E19 E20	P12-A16 HydrophobicContact CB-CB 3.44Å; P12-A16 VanDerWaalsContact CB-CB 3.44Å; T13-A16 PolarHBondContact O-N 2.81Å; T13-A16 PolarHBondContact OG1-N 3.18Å; A16-E19 WeakPolarHBondContact CA-OE2 3.12Å; A16-E20 PolarHBondContact O-N 2.89Å
17	R	37.7	Very low	36.9	Very low	142 Å²	142	109.7 Å²	109.7	54%	0.536	58%	0.581	S	S	.	*	H	α-helix	trans	-79.6	-27.4	173.6	-64.7	-177	-155.5	177.6	3.5	113	P12 T13 R14 I15 L21	P12-R17 HydrophobicContact CB-CG 4.29Å; P12-R17 HydrophobicContact CG-CG 4.4Å; T13-R17 PolarHBondContact O-N 2.86Å; R14-R17 PolarHBondContact O-N 3.02Å; I15-R17 PolarHBondContact O-N 3.46Å; R17-L21 WeakPolarHBondContact O-CD1 3.39Å
18	L	34.8	Very low	37	Very low	70 Å²	70	111 Å²	111	37%	0.366	57%	0.572	S	S	.	*	H	α-helix	trans	-78.1	-39.7	173.6	-101.4	151.8	0	0	0	111	R14 I15 E20 L21 L22 E272	R14-L18 PolarHBondContact O-N 3.41Å; I15-L18 WeakPolarHBondContact O-CB 3.35Å; I15-L18 PolarHBondContact O-N 3.01Å; L18-E20 VanDerWaalsContact C-N 3.32Å; L18-E20 PolarHBondContact O-N 2.97Å; L18-L21 WeakPolarHBondContact O-CA 3.13Å; L18-L21 WeakPolarHBondContact O-CB 3.23Å; L18-L21 PolarHBondContact O-N 3.29Å; L18-L22 HydrophobicContact CD2-CD1 4.28Å; L18-L22 WeakPolarHBondContact O-CB 3.48Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 2.7Å; L18-E272 WeakPolarHBondContact CB-OE1 3.35Å; L18-E272 VanDerWaalsContact CD2-OE2 3.32Å; L18-E272 WeakPolarHBondContact CD2-OE2 3.33Å
19	E	37.3	Very low	36.9	Very low	90 Å²	90	104.9 Å²	104.9	42%	0.421	55%	0.554	S	S	.	*	H	α-helix	trans	-56.3	-42.2	170.6	-77.9	179.3	136.1	0	0	112.5	I15 A16 L21 L22 L23	I15-E19 PolarHBondContact O-N 3.45Å; A16-E19 WeakPolarHBondContact CA-OE2 3.12Å; E19-L21 VanDerWaalsContact C-N 3.27Å; E19-L21 PolarHBondContact O-N 3.18Å; E19-L22 PolarHBondContact O-N 3.04Å; E19-L23 VanDerWaalsContact O-CB 3.23Å; E19-L23 WeakPolarHBondContact O-CB 3.1Å; E19-L23 WeakPolarHBondContact O-CD1 3.13Å; E19-L23 WeakPolarHBondContact O-CG 3.45Å; E19-L23 PolarHBondContact O-N 3.36Å
20	E	41	Very low	36.9	Very low	71 Å²	71	104 Å²	104	33%	0.332	54%	0.542	S	S	.	.	H	α-helix	trans	-68.4	-27.5	176.8	-76.6	-177.3	168.6	0	0	113	A16 L18 Y28	A16-E20 PolarHBondContact O-N 2.89Å; L18-E20 VanDerWaalsContact C-N 3.32Å; L18-E20 PolarHBondContact O-N 2.97Å; E20-Y28 WeakPolarHBondContact OE2-CD2 3.47Å; E20-Y28 WeakPolarHBondContact OE2-CE2 3.4Å
21	L	36.3	Very low	37.2	Very low	79 Å²	79	97.5 Å²	97.5	41%	0.414	51%	0.507	S	S	.	.	H	α-helix	trans	-79.6	-35.4	176.7	-88.7	162.1	0	0	0	113.1	R17 L18 E19 L30	R17-L21 WeakPolarHBondContact O-CD1 3.39Å; L18-L21 WeakPolarHBondContact O-CA 3.13Å; L18-L21 WeakPolarHBondContact O-CB 3.23Å; L18-L21 PolarHBondContact O-N 3.29Å; E19-L21 VanDerWaalsContact C-N 3.27Å; E19-L21 PolarHBondContact O-N 3.18Å; L21-L30 HydrophobicContact CD1-CD1 3.48Å; L21-L30 VanDerWaalsContact CD1-CD1 3.48Å; L21-L30 HydrophobicContact CD2-CB 4.02Å; L21-L30 HydrophobicContact CD2-CD1 3.24Å; L21-L30 HydrophobicContact CD2-CG 4.21Å; L21-L30 HydrophobicContact CG-CD1 3.97Å
22	L	36	Very low	37.2	Very low	84 Å²	84	93.7 Å²	93.7	44%	0.44	49%	0.491	S	S	.	.	H	α-helix	trans	-82	-32.2	-179.4	-71.5	164.5	0	0	0	112.5	L18 E19 G24 E272 L273 N276	L18-L22 HydrophobicContact CD2-CD1 4.28Å; L18-L22 WeakPolarHBondContact O-CB 3.48Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 2.7Å; E19-L22 PolarHBondContact O-N 3.04Å; L22-G24 PolarHBondContact O-N 3.13Å; L22-G24 VanDerWaalsContact O-N 3.15Å; L22-E272 HydrophobicContact CD1-CG 4.1Å; L22-L273 HydrophobicContact CD2-CD2 4.38Å; L22-N276 WeakPolarHBondContact CD1-ND2 3.25Å
23	L	39.5	Very low	37.4	Very low	109 Å²	109	94.1 Å²	94.1	57%	0.571	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	8.2	178.8	-69.9	169	0	0	0	114.2	E19 K25	E19-L23 VanDerWaalsContact O-CB 3.23Å; E19-L23 WeakPolarHBondContact O-CB 3.1Å; E19-L23 WeakPolarHBondContact O-CD1 3.13Å; E19-L23 WeakPolarHBondContact O-CG 3.45Å; E19-L23 PolarHBondContact O-N 3.36Å; L23-K25 HydrophobicContact CB-CD 4.09Å; L23-K25 HydrophobicContact CB-CG 3.96Å; L23-K25 HydrophobicContact CD1-CD 4.31Å; L23-K25 PolarHBondContact O-N 3.45Å
24	G	34	Very low	37.3	Very low	59 Å²	59	96.6 Å²	96.6	61%	0.608	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	17.8	-178.6	0	0	0	0	0	113.5	L22 T26	L22-G24 PolarHBondContact O-N 3.13Å; L22-G24 VanDerWaalsContact O-N 3.15Å; G24-T26 PolarHBondContact O-N 3.2Å
25	K	39.7	Very low	37.7	Very low	123 Å²	123	91.4 Å²	91.4	54%	0.535	48%	0.478	S	S	.	.			trans	-70.4	105.3	-178.9	-75.6	178.3	-179.9	170.3	0	106.9	L23 T27	L23-K25 HydrophobicContact CB-CD 4.09Å; L23-K25 HydrophobicContact CB-CG 3.96Å; L23-K25 HydrophobicContact CD1-CD 4.31Å; L23-K25 PolarHBondContact O-N 3.45Å; K25-T27 PolarHBondContact O-N 3.49Å
26	T	34.4	Very low	38.2	Very low	145 Å²	145	88 Å²	88	89%	0.89	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	39.3	-168.7	44.6	0	0	0	0	116.2	G24	G24-T26 PolarHBondContact O-N 3.2Å
27	T	36.1	Very low	38.6	Very low	104 Å²	104	89.6 Å²	89.6	64%	0.638	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	-11.5	-174.1	42.5	0	0	0	0	115.5	K25	K25-T27 PolarHBondContact O-N 3.49Å
28	Y	32.6	Very low	38.8	Very low	148 Å²	148	89.7 Å²	89.7	58%	0.58	47%	0.47	S	S	*	.			trans	-123.4	100.3	167.7	-75.9	-80.7	0	0	0	110.8	E20 L30	E20-Y28 WeakPolarHBondContact OE2-CD2 3.47Å; E20-Y28 WeakPolarHBondContact OE2-CE2 3.4Å; Y28-L30 PolarHBondContact O-N 3.5Å
29	S	35.8	Very low	39.2	Very low	68 Å²	68	89.6 Å²	89.6	48%	0.476	47%	0.472	S	S	.	.			trans	-47.2	112.1	152.3	165.5	0	0	0	0	106.6	Q31	S29-Q31 PolarHBondContact O-N 3.19Å
30	L	34.1	Very low	39.5	Very low	104 Å²	104	87.7 Å²	87.7	55%	0.545	46%	0.464	S	S	.	.			trans	-67.3	80	167.2	-161	129.1	0	0	0	105.5	L21 Y28 P32	L21-L30 HydrophobicContact CD1-CD1 3.48Å; L21-L30 VanDerWaalsContact CD1-CD1 3.48Å; L21-L30 HydrophobicContact CD2-CB 4.02Å; L21-L30 HydrophobicContact CD2-CD1 3.24Å; L21-L30 HydrophobicContact CD2-CG 4.21Å; L21-L30 HydrophobicContact CG-CD1 3.97Å; Y28-L30 PolarHBondContact O-N 3.5Å; L30-P32 WeakPolarHBondContact O-CD 3.48Å
31	Q	39.7	Very low	39.7	Very low	35 Å²	35	88.6 Å²	88.6	16%	0.164	47%	0.472	C	S	.	.			trans	-53	109.7	179	-75.7	-92	23.9	0	0	105.3	S29 E33 K34 V73	S29-Q31 PolarHBondContact O-N 3.19Å; Q31-E33 HydrophobicContact CB-CB 4.28Å; Q31-E33 PolarHBondContact O-N 3.46Å; Q31-E33 PolarHBondContact OE1-OE2 2.75Å; Q31-K34 HydrophobicContact CB-CB 4.41Å; Q31-K34 HydrophobicContact CB-CD 4.41Å; Q31-K34 HydrophobicContact CB-CG 4.12Å; Q31-K34 PolarHBondContact O-N 3.15Å; Q31-V73 HydrophobicContact CG-CG1 4.39Å
32	P	39.9	Very low	39.8	Very low	66 Å²	66	88.2 Å²	88.2	43%	0.429	48%	0.475	S	S	.	.	H	α-helix	trans	-51.9	-27.7	177.4	-24.4	34.8	0	0	0	110.2	L30 K34 L35 V36 F77 I81	L30-P32 WeakPolarHBondContact O-CD 3.48Å; P32-K34 VanDerWaalsContact C-N 3.34Å; P32-K34 PolarHBondContact O-N 3.15Å; P32-L35 PolarHBondContact O-N 2.86Å; P32-V36 VanDerWaalsContact O-CB 3.31Å; P32-V36 WeakPolarHBondContact O-CB 3.2Å; P32-V36 WeakPolarHBondContact O-CG2 3.2Å; P32-V36 PolarHBondContact O-N 3.35Å; P32-F77 HydrophobicContact CB-CD2 4.35Å; P32-F77 HydrophobicContact CB-CE2 4.09Å; P32-I81 HydrophobicContact CB-CD1 4.21Å
33	E	44	Very low	39.8	Very low	67 Å²	67	89.9 Å²	89.9	31%	0.313	48%	0.477	S	S	.	.	H	α-helix	trans	-53.9	-38.5	171.3	-58.5	172.5	-179.6	0	0	114.7	Q31 N37 F77	Q31-E33 HydrophobicContact CB-CB 4.28Å; Q31-E33 PolarHBondContact O-N 3.46Å; Q31-E33 PolarHBondContact OE1-OE2 2.75Å; E33-N37 VanDerWaalsContact O-CB 3.23Å; E33-N37 WeakPolarHBondContact O-CB 3.28Å; E33-N37 PolarHBondContact O-N 3.46Å; E33-N37 PolarHBondContact O-ND2 2.9Å; E33-F77 HydrophobicContact CB-CE2 4.05Å; E33-F77 HydrophobicContact CB-CZ 3.99Å; E33-F77 HydrophobicContact CG-CD2 4.1Å; E33-F77 HydrophobicContact CG-CE1 4.16Å; E33-F77 HydrophobicContact CG-CE2 3.22Å; E33-F77 HydrophobicContact CG-CZ 3.29Å
34	K	44.1	Very low	39.3	Very low	136 Å²	136	86.8 Å²	86.8	59%	0.591	47%	0.471	S	S	*	.	H	α-helix	trans	-77.3	-39.6	-178.5	-77.2	-175.2	178.1	175.6	0	111.9	Q31 P32 N37 Y38	Q31-K34 HydrophobicContact CB-CB 4.41Å; Q31-K34 HydrophobicContact CB-CD 4.41Å; Q31-K34 HydrophobicContact CB-CG 4.12Å; Q31-K34 PolarHBondContact O-N 3.15Å; P32-K34 VanDerWaalsContact C-N 3.34Å; P32-K34 PolarHBondContact O-N 3.15Å; K34-N37 PolarHBondContact O-N 3.3Å; K34-Y38 WeakPolarHBondContact O-CB 3.36Å; K34-Y38 PolarHBondContact O-N 3.36Å
35	L	42.6	Very low	39.2	Very low	91 Å²	91	86.8 Å²	86.8	48%	0.476	45%	0.454	S	S	.	.	H	α-helix	trans	-64.8	-46	173.1	-178.2	66.9	0	0	0	110.1	P32 N37 Y38 V39	P32-L35 PolarHBondContact O-N 2.86Å; L35-N37 PolarHBondContact O-N 3.03Å; L35-Y38 WeakPolarHBondContact O-CB 3.39Å; L35-Y38 PolarHBondContact O-N 3.26Å; L35-Y38 VanDerWaalsContact O-N 3.09Å; L35-V39 WeakPolarHBondContact O-CG2 3.22Å; L35-V39 PolarHBondContact O-N 3.14Å
36	V	43.8	Very low	38.9	Very low	38 Å²	38	90.2 Å²	90.2	23%	0.23	47%	0.465	C	S	.	.	H	α-helix	trans	-60.3	-45.8	174.6	169.7	0	0	0	0	111	P32 Y38 V39 L40 I81	P32-V36 VanDerWaalsContact O-CB 3.31Å; P32-V36 WeakPolarHBondContact O-CB 3.2Å; P32-V36 WeakPolarHBondContact O-CG2 3.2Å; P32-V36 PolarHBondContact O-N 3.35Å; V36-Y38 VanDerWaalsContact C-N 3.26Å; V36-Y38 PolarHBondContact O-N 3.46Å; V36-V39 PolarHBondContact O-N 3.36Å; V36-L40 HydrophobicContact CG1-CD1 3.6Å; V36-L40 HydrophobicContact CG1-CG 4Å; V36-L40 WeakPolarHBondContact O-CB 3.31Å; V36-L40 WeakPolarHBondContact O-CG 3.22Å; V36-L40 PolarHBondContact O-N 3.49Å; V36-I81 HydrophobicContact CG2-CD1 3.46Å; V36-I81 VanDerWaalsContact CG2-CD1 3.46Å; V36-I81 HydrophobicContact CG2-CG1 4.22Å
37	N	47.2	Very low	38.9	Very low	52 Å²	52	91.1 Å²	91.1	28%	0.278	46%	0.457	S	S	.	.	H	α-helix	trans	-63.2	-31.5	175	-80.4	-43.6	0	0	0	112.7	E33 K34 L35 N41	E33-N37 VanDerWaalsContact O-CB 3.23Å; E33-N37 WeakPolarHBondContact O-CB 3.28Å; E33-N37 PolarHBondContact O-N 3.46Å; E33-N37 PolarHBondContact O-ND2 2.9Å; K34-N37 PolarHBondContact O-N 3.3Å; L35-N37 PolarHBondContact O-N 3.03Å; N37-N41 WeakPolarHBondContact O-CB 3.28Å; N37-N41 PolarHBondContact O-N 2.98Å; N37-N41 PolarHBondContact O-ND2 2.79Å
38	Y	42.6	Very low	38.8	Very low	144 Å²	144	94.7 Å²	94.7	57%	0.565	46%	0.464	S	S	*	.	H	α-helix	trans	-68.9	-47	175.5	-177.2	-97	0	0	0	111.5	K34 L35 V36 N41 S42	K34-Y38 WeakPolarHBondContact O-CB 3.36Å; K34-Y38 PolarHBondContact O-N 3.36Å; L35-Y38 WeakPolarHBondContact O-CB 3.39Å; L35-Y38 PolarHBondContact O-N 3.26Å; L35-Y38 VanDerWaalsContact O-N 3.09Å; V36-Y38 VanDerWaalsContact C-N 3.26Å; V36-Y38 PolarHBondContact O-N 3.46Å; Y38-N41 PolarHBondContact O-N 2.85Å; Y38-S42 VanDerWaalsContact O-CB 3.3Å; Y38-S42 WeakPolarHBondContact O-CB 3.16Å; Y38-S42 PolarHBondContact O-N 3.2Å; Y38-S42 PolarHBondContact O-OG 2.9Å
39	V	42.3	Very low	38.9	Very low	68 Å²	68	95.2 Å²	95.2	41%	0.412	47%	0.471	S	S	.	.	H	α-helix	trans	-60.5	-49.5	173.5	174.3	0	0	0	0	109.5	L35 V36 N41 S42 Y43	L35-V39 WeakPolarHBondContact O-CG2 3.22Å; L35-V39 PolarHBondContact O-N 3.14Å; V36-V39 PolarHBondContact O-N 3.36Å; V39-N41 PolarHBondContact O-N 3.09Å; V39-S42 PolarHBondContact O-N 2.99Å; V39-S42 VanDerWaalsContact O-N 3.15Å; V39-Y43 HydrophobicContact CG1-CD2 3.87Å; V39-Y43 HydrophobicContact CG1-CE2 4.01Å; V39-Y43 WeakPolarHBondContact O-CD2 3.11Å; V39-Y43 PolarHBondContact O-N 3.45Å; V39-Y43 VanDerWaalsContact O-N 3.08Å
40	L	43.7	Very low	38.8	Very low	51 Å²	51	98 Å²	98	27%	0.267	48%	0.481	S	S	.	.	H	α-helix	trans	-55.7	-51.9	177.8	-74.2	178.5	0	0	0	111.2	V36 S42 Y43 G44 F45	V36-L40 HydrophobicContact CG1-CD1 3.6Å; V36-L40 HydrophobicContact CG1-CG 4Å; V36-L40 WeakPolarHBondContact O-CB 3.31Å; V36-L40 WeakPolarHBondContact O-CG 3.22Å; V36-L40 PolarHBondContact O-N 3.49Å; L40-S42 VanDerWaalsContact C-N 3.33Å; L40-S42 PolarHBondContact O-N 3.06Å; L40-Y43 PolarHBondContact O-N 3.26Å; L40-G44 PolarHBondContact O-N 3.07Å; L40-F45 CarbonylContact C-O 3.4Å; L40-F45 HydrophobicContact CB-CB 3.71Å; L40-F45 HydrophobicContact CB-CD2 4.45Å; L40-F45 HydrophobicContact CB-CG 4.5Å; L40-F45 HydrophobicContact CD2-CB 3.59Å; L40-F45 HydrophobicContact CD2-CD2 3.68Å; L40-F45 HydrophobicContact CD2-CE2 4.46Å; L40-F45 HydrophobicContact CD2-CG 3.7Å; L40-F45 HydrophobicContact CG-CB 4.19Å; L40-F45 WeakPolarHBondContact O-CA 3.24Å; L40-F45 WeakPolarHBondContact O-CB 3.34Å; L40-F45 WeakPolarHBondContact O-CD2 3.03Å; L40-F45 PolarHBondContact O-N 2.79Å
41	N	44.5	Very low	38.7	Very low	90 Å²	90	99.7 Å²	99.7	48%	0.481	49%	0.49	S	S	.	.	H	α-helix	trans	-63.2	-35.9	178.3	-73	-29.4	0	0	0	113.1	N37 Y38 V39 Y43 G44	N37-N41 WeakPolarHBondContact O-CB 3.28Å; N37-N41 PolarHBondContact O-N 2.98Å; N37-N41 PolarHBondContact O-ND2 2.79Å; Y38-N41 PolarHBondContact O-N 2.85Å; V39-N41 PolarHBondContact O-N 3.09Å; N41-Y43 VanDerWaalsContact C-N 3.32Å; N41-Y43 PolarHBondContact O-N 3.38Å; N41-G44 PolarHBondContact O-N 2.95Å
42	S	39.6	Very low	38.3	Very low	71 Å²	71	108.5 Å²	108.5	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-69.2	-30.9	-179.1	-59	0	0	0	0	112.6	Y38 V39 L40	Y38-S42 VanDerWaalsContact O-CB 3.3Å; Y38-S42 WeakPolarHBondContact O-CB 3.16Å; Y38-S42 PolarHBondContact O-N 3.2Å; Y38-S42 PolarHBondContact O-OG 2.9Å; V39-S42 PolarHBondContact O-N 2.99Å; V39-S42 VanDerWaalsContact O-N 3.15Å; L40-S42 VanDerWaalsContact C-N 3.33Å; L40-S42 PolarHBondContact O-N 3.06Å
43	Y	34.9	Very low	37.9	Very low	118 Å²	118	116.1 Å²	116.1	46%	0.463	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	14.2	176.2	-66.7	-76.7	0	0	0	113.3	V39 L40 N41 F45	V39-Y43 HydrophobicContact CG1-CD2 3.87Å; V39-Y43 HydrophobicContact CG1-CE2 4.01Å; V39-Y43 WeakPolarHBondContact O-CD2 3.11Å; V39-Y43 PolarHBondContact O-N 3.45Å; V39-Y43 VanDerWaalsContact O-N 3.08Å; L40-Y43 PolarHBondContact O-N 3.26Å; N41-Y43 VanDerWaalsContact C-N 3.32Å; N41-Y43 PolarHBondContact O-N 3.38Å; Y43-F45 HydrophobicContact CG-CE2 4.44Å
44	G	30.5	Very low	37.2	Very low	44 Å²	44	120.5 Å²	120.5	45%	0.454	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	81.4	13.6	173.5	0	0	0	0	0	115.3	L40 N41 Y46	L40-G44 PolarHBondContact O-N 3.07Å; N41-G44 PolarHBondContact O-N 2.95Å; G44-Y46 PolarHBondContact O-N 3.38Å
45	F	31	Very low	36.6	Very low	59 Å²	59	119.6 Å²	119.6	26%	0.259	58%	0.58	S	S	.	*			trans	-83.9	96.2	174.4	-53.1	-72.1	0	0	0	110	L40 Y43 L92	L40-F45 CarbonylContact C-O 3.4Å; L40-F45 HydrophobicContact CB-CB 3.71Å; L40-F45 HydrophobicContact CB-CD2 4.45Å; L40-F45 HydrophobicContact CB-CG 4.5Å; L40-F45 HydrophobicContact CD2-CB 3.59Å; L40-F45 HydrophobicContact CD2-CD2 3.68Å; L40-F45 HydrophobicContact CD2-CE2 4.46Å; L40-F45 HydrophobicContact CD2-CG 3.7Å; L40-F45 HydrophobicContact CG-CB 4.19Å; L40-F45 WeakPolarHBondContact O-CA 3.24Å; L40-F45 WeakPolarHBondContact O-CB 3.34Å; L40-F45 WeakPolarHBondContact O-CD2 3.03Å; L40-F45 PolarHBondContact O-N 2.79Å; Y43-F45 HydrophobicContact CG-CE2 4.44Å; F45-L92 HydrophobicContact CD1-CD2 3.58Å; F45-L92 HydrophobicContact CD1-CG 4.42Å; F45-L92 HydrophobicContact CE1-CB 3.57Å; F45-L92 HydrophobicContact CE1-CD1 4.23Å; F45-L92 HydrophobicContact CE1-CD2 3.39Å; F45-L92 HydrophobicContact CE1-CG 3.89Å; F45-L92 HydrophobicContact CZ-CB 3.92Å; F45-L92 HydrophobicContact CZ-CD2 4.48Å
46	Y	33.4	Very low	36.1	Very low	196 Å²	196	123.6 Å²	123.6	77%	0.769	60%	0.596	S	S	*	*			trans	-81.9	120.6	169.3	-62.8	-82	0	0	0	109.5	G44 K48	G44-Y46 PolarHBondContact O-N 3.38Å; Y46-K48 PolarHBondContact O-N 2.91Å
47	K	34.9	Very low	35.7	Very low	164 Å²	164	127.5 Å²	127.5	71%	0.713	62%	0.621	S	S	*	*			trans	-61.5	119.5	161.6	-164	174	-175.4	177.1	0	106.7	Q49	K47-Q49 PolarHBondContact O-N 2.82Å
48	K	32.8	Very low	35	Very low	179 Å²	179	130.9 Å²	130.9	78%	0.778	64%	0.644	S	S	*	*			trans	-57.6	106.4	168.8	-154.1	-177.8	-172.8	-174	0	105.5	Y46 D50	Y46-K48 PolarHBondContact O-N 2.91Å; K48-D50 PolarHBondContact O-N 3.3Å
49	Q	35.6	Very low	34.7	Very low	159 Å²	159	130.9 Å²	130.9	74%	0.743	66%	0.658	S	S	*	*			trans	-66.3	106.2	170.6	-82.1	-177.6	-8.6	0	0	105.5	K47 N51	K47-Q49 PolarHBondContact O-N 2.82Å; Q49-N51 PolarHBondContact O-N 2.75Å
50	D	34	Very low	34.1	Very low	127 Å²	127	130.7 Å²	130.7	68%	0.679	67%	0.67	S	S	*	*			trans	-63.2	98.8	164	-73.6	-32	0	0	0	106.6	K48 Y52	K48-D50 PolarHBondContact O-N 3.3Å; D50-Y52 PolarHBondContact O-N 3.49Å
51	N	31.9	Very low	33.6	Very low	138 Å²	138	135.6 Å²	135.6	74%	0.738	70%	0.697	S	S	*	*			trans	-64.5	82.9	169.3	-76.9	-43.7	0	0	0	107.7	Q49 R53	Q49-N51 PolarHBondContact O-N 2.75Å; N51-R53 PolarHBondContact O-N 2.81Å
52	Y	30.4	Very low	33.1	Very low	221 Å²	221	142.4 Å²	142.4	87%	0.867	72%	0.716	S	S	*	*			trans	-69.6	73.6	157.6	-97.7	-86	0	0	0	107.8	D50 N54	D50-Y52 PolarHBondContact O-N 3.49Å; Y52-N54 PolarHBondContact O-N 3.25Å
53	R	31.5	Very low	32.7	Very low	225 Å²	225	146.9 Å²	146.9	85%	0.849	73%	0.731	S	S	*	*			trans	-77.6	106.8	169.1	-149	178.8	-168	-175.6	3.1	105.7	N51 S55	N51-R53 PolarHBondContact O-N 2.81Å; R53-S55 PolarHBondContact O-N 2.89Å
54	N	29.9	Very low	32.6	Very low	160 Å²	160	151.4 Å²	151.4	86%	0.856	75%	0.753	S	S	*	*			trans	-33.8	100.7	168.3	-77	-27.5	0	0	0	111.5	Y52	Y52-N54 PolarHBondContact O-N 3.25Å
55	S	32.6	Very low	32.7	Very low	116 Å²	116	157.5 Å²	157.5	81%	0.811	77%	0.767	S	S	*	*			trans	-97.5	82.7	157.3	21.6	0	0	0	0	105.9	R53 T57	R53-S55 PolarHBondContact O-N 2.89Å; S55-T57 PolarHBondContact O-N 2.81Å
56	Q	31.1	Very low	32.7	Very low	175 Å²	175	162.5 Å²	162.5	82%	0.818	80%	0.796	S	S	*	*			trans	-53	120	151.7	-74	176.5	-24.7	0	0	106.9
57	T	34.7	Very low	32.4	Very low	121 Å²	121	158.1 Å²	158.1	74%	0.742	80%	0.801	S	S	*	*			trans	-174.7	123.2	135.2	37.8	0	0	0	0	111.3	S55	S55-T57 PolarHBondContact O-N 2.81Å
58	T	33.7	Very low	31.9	Very low	123 Å²	123	155.4 Å²	155.4	76%	0.755	80%	0.803	S	S	*	*			trans	78	136.6	138	55	0	0	0	0	120.2
59	T	36.6	Very low	31.7	Very low	143 Å²	143	154.5 Å²	154.5	88%	0.877	80%	0.803	S	S	*	*			trans	69.2	104.8	167.2	20.9	0	0	0	0	114
60	G	29.7	Very low	31.3	Very low	64 Å²	64	154.2 Å²	154.2	66%	0.66	81%	0.805	S	S	*	*			cis	115.7	120.5	47.1	0	0	0	0	0	105.5
61	D	31.9	Very low	31	Very low	154 Å²	154	153.8 Å²	153.8	82%	0.824	80%	0.8	S	S	*	*			trans	54.8	92.7	167.7	-65.2	-27.3	0	0	0	117.4
62	R	33.9	Very low	30.8	Very low	234 Å²	234	152.5 Å²	152.5	88%	0.883	80%	0.798	S	S	*	*				158.5	145.9	115.5	-85.5	159.9	171.1	-176.4	-2.5	109.8
63	M	32.4	Very low	30.8	Very low	165 Å²	165	146.2 Å²	146.2	81%	0.813	78%	0.782	S	S	*	*			trans	80.6	83	167.9	-49.9	-153.4	169.1	0	0	115.5	K65	M63-K65 VanDerWaalsContact C-N 3.28Å; M63-K65 PolarHBondContact O-N 3.06Å
64	K	31.8	Very low	30.6	Very low	212 Å²	212	144.4 Å²	144.4	92%	0.922	78%	0.78	S	S	*	*			trans	-38.7	96.5	132.1	-71	174.9	174.3	177.9	0	109.6
65	K	32.8	Very low	30.6	Very low	172 Å²	172	141.5 Å²	141.5	75%	0.748	76%	0.762	S	S	*	*			trans	171.6	142.5	162.6	-98.2	163.5	-174	-170.9	0	105.4	M63	M63-K65 VanDerWaalsContact C-N 3.28Å; M63-K65 PolarHBondContact O-N 3.06Å
66	N	31.2	Very low	30.5	Very low	164 Å²	164	142.1 Å²	142.1	88%	0.877	76%	0.761	S	S	*	*			trans	97.7	32.3	169.8	-43.2	-16.5	0	0	0	117.8
67	A	26.4	Very low	30.4	Very low	105 Å²	105	136.5 Å²	136.5	87%	0.868	73%	0.734	S	S	*	*			trans	-114	63.7	166.5	0	0	0	0	0	111.3
68	S	25.7	Very low	30.3	Very low	107 Å²	107	136.9 Å²	136.9	75%	0.748	74%	0.738	S	S	*	*			trans	-173.4	88.2	159.4	61.8	0	0	0	0	110.5
69	M	27.7	Very low	30.2	Very low	159 Å²	159	135 Å²	135	78%	0.783	72%	0.719	S	S	*	*			trans	-120.5	77.6	163.4	-163.6	166.5	178	0	0	107.5	M71	M69-M71 HydrophobicContact CE-SD 4.48Å; M69-M71 PolarHBondContact O-N 3.41Å
70	I	27.5	Very low	30.1	Very low	154 Å²	154	132.7 Å²	132.7	79%	0.79	70%	0.702	S	S	*	*			trans	-79.9	107.9	170.1	-63.8	173.5	0	0	0	105.2	T72	I70-T72 PolarHBondContact O-N 2.76Å
71	M	26.7	Very low	30.3	Very low	117 Å²	117	133 Å²	133	58%	0.576	69%	0.687	S	S	*	*			trans	-63.8	101.7	-178.2	-64.7	-85.8	-77.7	0	0	109.9	M69 V73 E75	M69-M71 HydrophobicContact CE-SD 4.48Å; M69-M71 PolarHBondContact O-N 3.41Å; M71-V73 PolarHBondContact O-N 3.22Å; M71-E75 WeakPolarHBondContact CE-OE2 3.17Å
72	T	28.7	Very low	30.5	Very low	112 Å²	112	133.5 Å²	133.5	69%	0.687	68%	0.678	S	S	*	*			trans	-68.4	124.5	167.3	32.1	0	0	0	0	109.6	I70 K74 E75	I70-T72 PolarHBondContact O-N 2.76Å; T72-K74 PolarHBondContact O-N 2.78Å; T72-E75 PolarHBondContact O-N 3.49Å
73	V	29.6	Very low	30.6	Very low	88 Å²	88	125.6 Å²	125.6	53%	0.533	66%	0.659	S	S	.	*	S	Bend	trans	-68.7	53.5	177.5	170.2	0	0	0	0	111.8	Q31 M71	Q31-V73 HydrophobicContact CG-CG1 4.39Å; M71-V73 PolarHBondContact O-N 3.22Å
74	K	28.3	Very low	30.6	Very low	188 Å²	188	120.5 Å²	120.5	82%	0.817	63%	0.634	S	S	*	*			trans	-141.8	23.9	168.8	-88	-165.5	175.6	-171.8	0	110.1	T72 T76	T72-K74 PolarHBondContact O-N 2.78Å; K74-T76 PolarHBondContact O-N 2.74Å
75	E	29	Very low	30.7	Very low	99 Å²	99	115.6 Å²	115.6	46%	0.463	62%	0.618	S	S	.	*			trans	-71.1	86.3	158	-76.1	-177.4	170.1	0	0	106.5	M71 T72 F77	M71-E75 WeakPolarHBondContact CE-OE2 3.17Å; T72-E75 PolarHBondContact O-N 3.49Å; E75-F77 PolarHBondContact O-N 2.9Å; E75-F77 VanDerWaalsContact O-N 3.09Å
76	T	31.7	Very low	31.2	Very low	129 Å²	129	108.9 Å²	108.9	79%	0.791	59%	0.59	S	S	*	*			trans	-42.3	118.8	152.5	38.5	0	0	0	0	106.4	K74 P78	K74-T76 PolarHBondContact O-N 2.74Å; T76-P78 VanDerWaalsContact O-N 3.17Å
77	F	29.1	Very low	31.4	Very low	57 Å²	57	104.9 Å²	104.9	25%	0.25	57%	0.566	C	S	.	*			trans	-41.6	130.2	171.2	-91.2	-78.2	0	0	0	108	P32 E33 E75 F79 I81	P32-F77 HydrophobicContact CB-CD2 4.35Å; P32-F77 HydrophobicContact CB-CE2 4.09Å; E33-F77 HydrophobicContact CB-CE2 4.05Å; E33-F77 HydrophobicContact CB-CZ 3.99Å; E33-F77 HydrophobicContact CG-CD2 4.1Å; E33-F77 HydrophobicContact CG-CE1 4.16Å; E33-F77 HydrophobicContact CG-CE2 3.22Å; E33-F77 HydrophobicContact CG-CZ 3.29Å; E75-F77 PolarHBondContact O-N 2.9Å; E75-F77 VanDerWaalsContact O-N 3.09Å; F77-F79 HydrophobicContact CB-CD2 4.26Å; F77-F79 HydrophobicContact CB-CE2 4.35Å; F77-F79 HydrophobicContact CB-CG 4.47Å; F77-F79 WeakPolarHBondContact CB-O 3.2Å; F77-F79 HydrophobicContact CD1-CD1 4.38Å; F77-F79 HydrophobicContact CD1-CD2 4.03Å; F77-F79 AromaticContact CD1-CE1 3.7Å; F77-F79 HydrophobicContact CD1-CE1 3.7Å; F77-F79 AromaticContact CD1-CE2 3.29Å; F77-F79 HydrophobicContact CD1-CE2 3.29Å; F77-F79 AromaticContact CD1-CZ 3.13Å; F77-F79 HydrophobicContact CD1-CZ 3.13Å; F77-F79 HydrophobicContact CE1-CE1 4.27Å; F77-F79 AromaticContact CE1-CE2 3.56Å; F77-F79 HydrophobicContact CE1-CE2 3.56Å; F77-F79 AromaticContact CE1-CZ 3.35Å; F77-F79 HydrophobicContact CE1-CZ 3.35Å; F77-F79 HydrophobicContact CG-CD2 4.4Å; F77-F79 HydrophobicContact CG-CE2 4.02Å; F77-F79 HydrophobicContact CG-CZ 4.21Å; F77-F79 HydrophobicContact CZ-CE2 4.45Å; F77-F79 PolarHBondContact O-N 3.28Å; F77-I81 HydrophobicContact CD2-CD1 4.39Å; F77-I81 HydrophobicContact CE2-CD1 4.22Å
78	P	32.4	Very low	31.8	Very low	128 Å²	128	102.1 Å²	102.1	83%	0.831	54%	0.543	S	S	*	.	S	Bend	trans	-64.9	7.8	177	25.4	-30.9	0	0	0	112.5	T76	T76-P78 VanDerWaalsContact O-N 3.17Å
79	F	30.5	Very low	32.4	Very low	83 Å²	83	100.9 Å²	100.9	36%	0.364	53%	0.531	S	S	.	.	S	Bend	trans	-141.3	128.2	174.8	47	-90.3	0	0	0	108.4	F77 I81 I84	F77-F79 HydrophobicContact CB-CD2 4.26Å; F77-F79 HydrophobicContact CB-CE2 4.35Å; F77-F79 HydrophobicContact CB-CG 4.47Å; F77-F79 WeakPolarHBondContact CB-O 3.2Å; F77-F79 HydrophobicContact CD1-CD1 4.38Å; F77-F79 HydrophobicContact CD1-CD2 4.03Å; F77-F79 AromaticContact CD1-CE1 3.7Å; F77-F79 HydrophobicContact CD1-CE1 3.7Å; F77-F79 AromaticContact CD1-CE2 3.29Å; F77-F79 HydrophobicContact CD1-CE2 3.29Å; F77-F79 AromaticContact CD1-CZ 3.13Å; F77-F79 HydrophobicContact CD1-CZ 3.13Å; F77-F79 HydrophobicContact CE1-CE1 4.27Å; F77-F79 AromaticContact CE1-CE2 3.56Å; F77-F79 HydrophobicContact CE1-CE2 3.56Å; F77-F79 AromaticContact CE1-CZ 3.35Å; F77-F79 HydrophobicContact CE1-CZ 3.35Å; F77-F79 HydrophobicContact CG-CD2 4.4Å; F77-F79 HydrophobicContact CG-CE2 4.02Å; F77-F79 HydrophobicContact CG-CZ 4.21Å; F77-F79 HydrophobicContact CZ-CE2 4.45Å; F77-F79 PolarHBondContact O-N 3.28Å; F79-I81 PolarHBondContact O-N 3.08Å; F79-I84 HydrophobicContact CB-CG1 4.21Å; F79-I84 HydrophobicContact CD2-CD1 3.56Å; F79-I84 HydrophobicContact CD2-CG1 3.42Å; F79-I84 VanDerWaalsContact CD2-CG1 3.42Å; F79-I84 HydrophobicContact CE2-CD1 3.7Å; F79-I84 HydrophobicContact CE2-CG1 4.05Å; F79-I84 HydrophobicContact CG-CG1 4.1Å
80	N	36	Very low	33	Very low	96 Å²	96	96.7 Å²	96.7	51%	0.513	51%	0.511	S	S	.	.			trans	-63.3	132.7	160.4	173.1	-2.6	0	0	0	106.3	W82 S83 I84	N80-W82 PolarHBondContact O-N 3.35Å; N80-W82 VanDerWaalsContact O-N 3.14Å; N80-W82 VanDerWaalsContact OD1-CB 3.29Å; N80-W82 WeakPolarHBondContact OD1-CB 3.3Å; N80-W82 PolarHBondContact OD1-N 3.15Å; N80-S83 WeakPolarHBondContact CA-OG 3.35Å; N80-S83 WeakPolarHBondContact CB-OG 3.44Å; N80-S83 PolarHBondContact N-OG 3.21Å; N80-S83 CarbonylContact O-C 3.38Å; N80-S83 VanDerWaalsContact O-C 3.24Å; N80-S83 VanDerWaalsContact O-CA 3.23Å; N80-S83 WeakPolarHBondContact O-CA 3.28Å; N80-S83 WeakPolarHBondContact O-CB 3.25Å; N80-S83 PolarHBondContact O-N 3.48Å; N80-S83 PolarHBondContact O-OG 3.31Å; N80-I84 PolarHBondContact O-N 2.91Å
81	I	33.1	Very low	33.7	Very low	69 Å²	69	94.1 Å²	94.1	35%	0.354	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-62.5	-23.5	-179.7	-68.6	146.8	0	0	0	110.9	P32 V36 F77 F79 S83 I84	P32-I81 HydrophobicContact CB-CD1 4.21Å; V36-I81 HydrophobicContact CG2-CD1 3.46Å; V36-I81 VanDerWaalsContact CG2-CD1 3.46Å; V36-I81 HydrophobicContact CG2-CG1 4.22Å; F77-I81 HydrophobicContact CD2-CD1 4.39Å; F77-I81 HydrophobicContact CE2-CD1 4.22Å; F79-I81 PolarHBondContact O-N 3.08Å; I81-S83 VanDerWaalsContact C-N 3.3Å; I81-I84 HydrophobicContact CB-CD1 4.12Å; I81-I84 HydrophobicContact CG1-CD1 3.99Å; I81-I84 HydrophobicContact CG2-CD1 4.09Å
82	W	35	Very low	34.3	Very low	166 Å²	166	91.9 Å²	91.9	63%	0.629	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-79.8	-8.3	169.4	-54.5	105.2	0	0	0	114.1	N80 V194 K201	N80-W82 PolarHBondContact O-N 3.35Å; N80-W82 VanDerWaalsContact O-N 3.14Å; N80-W82 VanDerWaalsContact OD1-CB 3.29Å; N80-W82 WeakPolarHBondContact OD1-CB 3.3Å; N80-W82 PolarHBondContact OD1-N 3.15Å; W82-V194 HydrophobicContact CH2-CG2 4.48Å; W82-V194 HydrophobicContact CZ3-CG2 4.14Å; W82-K201 PolarHBondContact O-NZ 3.07Å
83	S	36.1	Very low	34.9	Very low	68 Å²	68	91.3 Å²	91.3	48%	0.476	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-113.1	7.3	173.4	83.1	0	0	0	0	113.1	N80 I81 D85	N80-S83 WeakPolarHBondContact CA-OG 3.35Å; N80-S83 WeakPolarHBondContact CB-OG 3.44Å; N80-S83 PolarHBondContact N-OG 3.21Å; N80-S83 CarbonylContact O-C 3.38Å; N80-S83 VanDerWaalsContact O-C 3.24Å; N80-S83 VanDerWaalsContact O-CA 3.23Å; N80-S83 WeakPolarHBondContact O-CA 3.28Å; N80-S83 WeakPolarHBondContact O-CB 3.25Å; N80-S83 PolarHBondContact O-N 3.48Å; N80-S83 PolarHBondContact O-OG 3.31Å; I81-S83 VanDerWaalsContact C-N 3.3Å; S83-D85 PolarHBondContact O-N 3.42Å
84	I	33.2	Very low	35.5	Very low	58 Å²	58	94.7 Å²	94.7	30%	0.297	47%	0.474	S	S	.	.	S	Bend	trans	-65.6	119.6	169.7	-69.4	169.9	0	0	0	106.3	F79 N80 I81 N86 A88 V89	F79-I84 HydrophobicContact CB-CG1 4.21Å; F79-I84 HydrophobicContact CD2-CD1 3.56Å; F79-I84 HydrophobicContact CD2-CG1 3.42Å; F79-I84 VanDerWaalsContact CD2-CG1 3.42Å; F79-I84 HydrophobicContact CE2-CD1 3.7Å; F79-I84 HydrophobicContact CE2-CG1 4.05Å; F79-I84 HydrophobicContact CG-CG1 4.1Å; N80-I84 PolarHBondContact O-N 2.91Å; I81-I84 HydrophobicContact CB-CD1 4.12Å; I81-I84 HydrophobicContact CG1-CD1 3.99Å; I81-I84 HydrophobicContact CG2-CD1 4.09Å; I84-N86 PolarHBondContact O-N 2.82Å; I84-A88 HydrophobicContact CG2-CB 4.39Å; I84-V89 HydrophobicContact CG2-CG2 4.41Å
85	D	34.9	Very low	36	Very low	109 Å²	109	88.1 Å²	88.1	58%	0.583	46%	0.455	S	S	*	.			trans	-46	115.9	177.5	-90.1	-36.2	0	0	0	110	S83 Q87 A88	S83-D85 PolarHBondContact O-N 3.42Å; D85-Q87 PolarHBondContact O-N 2.76Å; D85-A88 PolarHBondContact O-N 3.48Å
86	N	41.4	Very low	36.3	Very low	31 Å²	31	84.9 Å²	84.9	17%	0.166	45%	0.448	C	S	.	.	H	α-helix	trans	-54.1	-19.9	-173.7	-162.5	-4	0	0	0	112.1	I84 A88 V89 M90 S198 S202	I84-N86 PolarHBondContact O-N 2.82Å; N86-A88 VanDerWaalsContact C-N 3.35Å; N86-A88 PolarHBondContact O-N 2.79Å; N86-V89 PolarHBondContact O-N 2.92Å; N86-M90 WeakPolarHBondContact O-CB 3.14Å; N86-M90 WeakPolarHBondContact O-CG 3.39Å; N86-M90 PolarHBondContact O-N 3.33Å; N86-S198 PolarHBondContact ND2-O 2.75Å; N86-S202 PolarHBondContact ND2-OG 3.42Å
87	Q	36.6	Very low	36.8	Very low	79 Å²	79	81 Å²	81	37%	0.369	42%	0.422	S	S	.	.	H	α-helix	trans	-61.9	-37.2	172.5	-132.6	-171.9	13	0	0	113.2	D85 H91 F205	D85-Q87 PolarHBondContact O-N 2.76Å; Q87-H91 WeakPolarHBondContact O-CA 3.17Å; Q87-H91 WeakPolarHBondContact O-CB 3.2Å; Q87-H91 PolarHBondContact O-CD2 3.09Å; Q87-H91 VanDerWaalsContact O-CG 3.3Å; Q87-H91 PolarHBondContact O-N 3.45Å; Q87-F205 HydrophobicContact CB-CE1 3.88Å; Q87-F205 HydrophobicContact CB-CE2 4.39Å; Q87-F205 HydrophobicContact CB-CZ 3.86Å; Q87-F205 HydrophobicContact CG-CD1 4.24Å; Q87-F205 HydrophobicContact CG-CE1 3.42Å; Q87-F205 VanDerWaalsContact CG-CE1 3.42Å; Q87-F205 HydrophobicContact CG-CZ 3.74Å
88	A	34.3	Very low	37.2	Very low	47 Å²	47	86.2 Å²	86.2	39%	0.388	45%	0.445	S	S	.	.	H	α-helix	trans	-67.8	-45.2	177.1	0	0	0	0	0	110.9	I84 D85 N86 H91 L92	I84-A88 HydrophobicContact CG2-CB 4.39Å; D85-A88 PolarHBondContact O-N 3.48Å; N86-A88 VanDerWaalsContact C-N 3.35Å; N86-A88 PolarHBondContact O-N 2.79Å; A88-H91 PolarHBondContact O-N 3.14Å; A88-L92 WeakPolarHBondContact O-CB 3.33Å; A88-L92 WeakPolarHBondContact O-CD1 3.19Å; A88-L92 WeakPolarHBondContact O-CG 3.06Å; A88-L92 PolarHBondContact O-N 2.94Å
89	V	38.7	Very low	37.4	Very low	81 Å²	81	86.2 Å²	86.2	49%	0.491	43%	0.434	S	S	.	.	H	α-helix	trans	-65.6	-40.2	176.7	-179.6	0	0	0	0	111	I84 N86 L92 Y93	I84-V89 HydrophobicContact CG2-CG2 4.41Å; N86-V89 PolarHBondContact O-N 2.92Å; V89-L92 CarbonylContact O-C 3.58Å; V89-L92 PolarHBondContact O-N 3.33Å; V89-Y93 VanDerWaalsContact O-CB 3.27Å; V89-Y93 WeakPolarHBondContact O-CB 3.46Å; V89-Y93 PolarHBondContact O-N 2.84Å
90	M	40.9	Very low	37.7	Very low	72 Å²	72	90.5 Å²	90.5	36%	0.355	45%	0.447	S	S	.	.	H	α-helix	trans	-70.3	-35.7	174.2	-80	-74.2	-77.9	0	0	113.4	N86 L92 Y93 R94	N86-M90 WeakPolarHBondContact O-CB 3.14Å; N86-M90 WeakPolarHBondContact O-CG 3.39Å; N86-M90 PolarHBondContact O-N 3.33Å; M90-L92 VanDerWaalsContact C-N 3.35Å; M90-Y93 PolarHBondContact O-N 3.41Å; M90-Y93 HydrophobicContact SD-CD1 4.2Å; M90-R94 VanDerWaalsContact O-CB 3.3Å; M90-R94 WeakPolarHBondContact O-CB 3.47Å; M90-R94 VanDerWaalsContact O-CG 3.25Å; M90-R94 WeakPolarHBondContact O-CG 3.19Å; M90-R94 PolarHBondContact O-N 2.75Å
91	H	42.2	Very low	37.6	Very low	99 Å²	99	90.8 Å²	90.8	46%	0.458	44%	0.441	S	S	.	.	H	α-helix	trans	-68.5	-37.2	172.2	-85.3	-66.8	0	0	0	110.8	Q87 A88 R94 A95	Q87-H91 WeakPolarHBondContact O-CA 3.17Å; Q87-H91 WeakPolarHBondContact O-CB 3.2Å; Q87-H91 PolarHBondContact O-CD2 3.09Å; Q87-H91 VanDerWaalsContact O-CG 3.3Å; Q87-H91 PolarHBondContact O-N 3.45Å; A88-H91 PolarHBondContact O-N 3.14Å; H91-R94 PolarHBondContact O-N 2.76Å; H91-A95 WeakPolarHBondContact O-CB 3.16Å; H91-A95 PolarHBondContact O-N 3.45Å
92	L	39.7	Very low	37.8	Very low	71 Å²	71	92.9 Å²	92.9	37%	0.372	45%	0.449	S	S	.	.	H	α-helix	trans	-68.7	-37.9	173.1	-74.1	166.8	0	0	0	111.6	F45 A88 V89 M90 G96	F45-L92 HydrophobicContact CD1-CD2 3.58Å; F45-L92 HydrophobicContact CD1-CG 4.42Å; F45-L92 HydrophobicContact CE1-CB 3.57Å; F45-L92 HydrophobicContact CE1-CD1 4.23Å; F45-L92 HydrophobicContact CE1-CD2 3.39Å; F45-L92 HydrophobicContact CE1-CG 3.89Å; F45-L92 HydrophobicContact CZ-CB 3.92Å; F45-L92 HydrophobicContact CZ-CD2 4.48Å; A88-L92 WeakPolarHBondContact O-CB 3.33Å; A88-L92 WeakPolarHBondContact O-CD1 3.19Å; A88-L92 WeakPolarHBondContact O-CG 3.06Å; A88-L92 PolarHBondContact O-N 2.94Å; V89-L92 CarbonylContact O-C 3.58Å; V89-L92 PolarHBondContact O-N 3.33Å; M90-L92 VanDerWaalsContact C-N 3.35Å; L92-G96 WeakPolarHBondContact O-CA 3.31Å; L92-G96 PolarHBondContact O-N 2.81Å
93	Y	40.5	Very low	38	Very low	100 Å²	100	89.7 Å²	89.7	39%	0.392	44%	0.444	S	S	.	.	H	α-helix	trans	-65	-47	170.9	176.4	-108.4	0	0	0	111.6	V89 M90 G96 I97	V89-Y93 VanDerWaalsContact O-CB 3.27Å; V89-Y93 WeakPolarHBondContact O-CB 3.46Å; V89-Y93 PolarHBondContact O-N 2.84Å; M90-Y93 PolarHBondContact O-N 3.41Å; M90-Y93 HydrophobicContact SD-CD1 4.2Å; Y93-G96 PolarHBondContact O-N 2.81Å; Y93-I97 HydrophobicContact CD1-CD1 3.91Å; Y93-I97 HydrophobicContact CD2-CD1 4.12Å; Y93-I97 HydrophobicContact CE1-CD1 3.44Å; Y93-I97 VanDerWaalsContact CE1-CD1 3.44Å; Y93-I97 HydrophobicContact CE2-CD1 3.65Å; Y93-I97 HydrophobicContact CE2-CG1 4.35Å; Y93-I97 HydrophobicContact CG-CD1 4.23Å; Y93-I97 WeakPolarHBondContact O-CB 3.39Å; Y93-I97 VanDerWaalsContact O-CG1 3.28Å; Y93-I97 WeakPolarHBondContact O-CG1 3.27Å; Y93-I97 PolarHBondContact O-N 3.35Å
94	R	41.2	Very low	37.9	Very low	159 Å²	159	92.1 Å²	92.1	60%	0.6	45%	0.448	S	S	*	.	H	α-helix	trans	-64.8	-40.2	175.6	-75.6	175.6	176.8	-179.8	0.5	112	M90 H91 K98	M90-R94 VanDerWaalsContact O-CB 3.3Å; M90-R94 WeakPolarHBondContact O-CB 3.47Å; M90-R94 VanDerWaalsContact O-CG 3.25Å; M90-R94 WeakPolarHBondContact O-CG 3.19Å; M90-R94 PolarHBondContact O-N 2.75Å; H91-R94 PolarHBondContact O-N 2.76Å; R94-K98 VanDerWaalsContact O-CB 3.24Å; R94-K98 WeakPolarHBondContact O-CB 3.5Å; R94-K98 PolarHBondContact O-N 2.72Å
95	A	40.3	Very low	37.8	Very low	49 Å²	49	93 Å²	93	41%	0.405	45%	0.452	S	S	.	.	H	α-helix	trans	-69.6	-42	176.1	0	0	0	0	0	111.5	H91 K98 Q99	H91-A95 WeakPolarHBondContact O-CB 3.16Å; H91-A95 PolarHBondContact O-N 3.45Å; A95-K98 PolarHBondContact O-N 3.38Å; A95-Q99 VanDerWaalsContact O-CB 3.28Å; A95-Q99 WeakPolarHBondContact O-CB 3.08Å; A95-Q99 PolarHBondContact O-N 3.44Å
96	G	35.5	Very low	37.7	Very low	32 Å²	32	92.3 Å²	92.3	33%	0.33	45%	0.446	S	S	.	.	H	α-helix	trans	-63	-43.4	174.5	0	0	0	0	0	112	L92 Y93 Q99 R100	L92-G96 WeakPolarHBondContact O-CA 3.31Å; L92-G96 PolarHBondContact O-N 2.81Å; Y93-G96 PolarHBondContact O-N 2.81Å; G96-Q99 PolarHBondContact O-N 2.84Å; G96-R100 WeakPolarHBondContact O-CB 3.34Å; G96-R100 PolarHBondContact O-N 2.9Å
97	I	40.7	Very low	37.3	Very low	48 Å²	48	93.4 Å²	93.4	25%	0.246	46%	0.455	C	S	.	.	H	α-helix	trans	-63.2	-43.3	171.1	-73.5	174.9	0	0	0	111	Y93 Q99 R101	Y93-I97 HydrophobicContact CD1-CD1 3.91Å; Y93-I97 HydrophobicContact CD2-CD1 4.12Å; Y93-I97 HydrophobicContact CE1-CD1 3.44Å; Y93-I97 VanDerWaalsContact CE1-CD1 3.44Å; Y93-I97 HydrophobicContact CE2-CD1 3.65Å; Y93-I97 HydrophobicContact CE2-CG1 4.35Å; Y93-I97 HydrophobicContact CG-CD1 4.23Å; Y93-I97 WeakPolarHBondContact O-CB 3.39Å; Y93-I97 VanDerWaalsContact O-CG1 3.28Å; Y93-I97 WeakPolarHBondContact O-CG1 3.27Å; Y93-I97 PolarHBondContact O-N 3.35Å; I97-Q99 VanDerWaalsContact C-N 3.34Å; I97-Q99 PolarHBondContact O-N 3.48Å; I97-R101 HydrophobicContact CG2-CG 4.28Å; I97-R101 VanDerWaalsContact CG2-NE 3.34Å; I97-R101 VanDerWaalsContact O-CB 3.22Å; I97-R101 WeakPolarHBondContact O-CB 3.47Å; I97-R101 WeakPolarHBondContact O-CG 3.23Å; I97-R101 PolarHBondContact O-N 3.38Å
98	K	39	Very low	37.1	Very low	165 Å²	165	92.5 Å²	92.5	72%	0.717	46%	0.455	S	S	*	.	H	α-helix	trans	-63.8	-40.6	178.5	-167	177.2	-178	-177.8	0	111.3	R94 A95 H102	R94-K98 VanDerWaalsContact O-CB 3.24Å; R94-K98 WeakPolarHBondContact O-CB 3.5Å; R94-K98 PolarHBondContact O-N 2.72Å; A95-K98 PolarHBondContact O-N 3.38Å; K98-H102 VanDerWaalsContact O-CB 3.3Å; K98-H102 WeakPolarHBondContact O-CB 3.32Å; K98-H102 PolarHBondContact O-N 3.35Å
99	Q	36.4	Very low	37.1	Very low	128 Å²	128	98.1 Å²	98.1	60%	0.598	47%	0.471	S	S	*	.	H	α-helix	trans	-74.6	-40.1	178.8	-165.9	166.8	2.7	0	0	112	A95 G96 I97 H102 L103	A95-Q99 VanDerWaalsContact O-CB 3.28Å; A95-Q99 WeakPolarHBondContact O-CB 3.08Å; A95-Q99 PolarHBondContact O-N 3.44Å; G96-Q99 PolarHBondContact O-N 2.84Å; I97-Q99 VanDerWaalsContact C-N 3.34Å; I97-Q99 PolarHBondContact O-N 3.48Å; Q99-H102 PolarHBondContact O-N 2.78Å; Q99-L103 HydrophobicContact CG-CD1 4.2Å; Q99-L103 WeakPolarHBondContact O-CB 3.45Å; Q99-L103 VanDerWaalsContact O-CG 3.31Å; Q99-L103 WeakPolarHBondContact O-CG 3.31Å; Q99-L103 PolarHBondContact O-N 3.4Å
100	R	36.8	Very low	36.8	Very low	174 Å²	174	102 Å²	102	66%	0.657	48%	0.483	S	S	*	.	H	α-helix	trans	-64.8	-41.6	172.6	-157.5	-176.8	-141.6	-176.8	6.2	110.9	G96 L103 H104	G96-R100 WeakPolarHBondContact O-CB 3.34Å; G96-R100 PolarHBondContact O-N 2.9Å; R100-L103 PolarHBondContact O-N 3.45Å; R100-H104 WeakPolarHBondContact O-CA 3.48Å; R100-H104 WeakPolarHBondContact O-CB 3.24Å; R100-H104 PolarHBondContact O-N 2.9Å
101	R	32.2	Very low	36.4	Very low	101 Å²	101	103.2 Å²	103.2	38%	0.381	50%	0.495	S	S	.	.	H	α-helix	trans	-63.1	-41.3	171.2	-75.8	178.2	-169.4	-179.9	5.4	111.5	I97 I105	I97-R101 HydrophobicContact CG2-CG 4.28Å; I97-R101 VanDerWaalsContact CG2-NE 3.34Å; I97-R101 VanDerWaalsContact O-CB 3.22Å; I97-R101 WeakPolarHBondContact O-CB 3.47Å; I97-R101 WeakPolarHBondContact O-CG 3.23Å; I97-R101 PolarHBondContact O-N 3.38Å; R101-I105 WeakPolarHBondContact O-CB 3.33Å; R101-I105 WeakPolarHBondContact O-CD1 3.23Å; R101-I105 WeakPolarHBondContact O-CG1 3.44Å; R101-I105 PolarHBondContact O-N 2.71Å
102	H	38.4	Very low	35.6	Very low	113 Å²	113	108 Å²	108	52%	0.523	51%	0.509	S	S	.	.	H	α-helix	trans	-64.9	-46.7	177.3	-167.2	79.8	0	0	0	111.8	K98 Q99 Q106	K98-H102 VanDerWaalsContact O-CB 3.3Å; K98-H102 WeakPolarHBondContact O-CB 3.32Å; K98-H102 PolarHBondContact O-N 3.35Å; Q99-H102 PolarHBondContact O-N 2.78Å; H102-Q106 PolarHBondContact NE2-NE2 3.22Å; H102-Q106 VanDerWaalsContact NE2-NE2 3.15Å; H102-Q106 WeakPolarHBondContact O-CB 3.33Å; H102-Q106 WeakPolarHBondContact O-CG 3.19Å; H102-Q106 PolarHBondContact O-N 2.93Å
103	L	39.4	Very low	34.8	Very low	100 Å²	100	115 Å²	115	52%	0.524	53%	0.531	S	S	.	.	H	α-helix	trans	-67.9	-36.4	176.9	-72.7	168.8	0	0	0	112.5	Q99 R100 S107	Q99-L103 HydrophobicContact CG-CD1 4.2Å; Q99-L103 WeakPolarHBondContact O-CB 3.45Å; Q99-L103 VanDerWaalsContact O-CG 3.31Å; Q99-L103 WeakPolarHBondContact O-CG 3.31Å; Q99-L103 PolarHBondContact O-N 3.4Å; R100-L103 PolarHBondContact O-N 3.45Å; L103-S107 VanDerWaalsContact O-CB 3.28Å; L103-S107 WeakPolarHBondContact O-CB 3.45Å; L103-S107 PolarHBondContact O-N 3Å; L103-S107 PolarHBondContact O-OG 2.87Å
104	H	33.6	Very low	34.2	Very low	119 Å²	119	120.1 Å²	120.1	55%	0.551	55%	0.549	S	S	*	.	H	α-helix	trans	-73.5	-38.8	176.8	-168.4	75.1	0	0	0	111.5	R100 S107 V108	R100-H104 WeakPolarHBondContact O-CA 3.48Å; R100-H104 WeakPolarHBondContact O-CB 3.24Å; R100-H104 PolarHBondContact O-N 2.9Å; H104-S107 WeakPolarHBondContact CA-OG 3.12Å; H104-S107 PolarHBondContact O-N 2.97Å; H104-S107 PolarHBondContact O-OG 2.9Å; H104-S107 VanDerWaalsContact O-OG 3.11Å; H104-V108 WeakPolarHBondContact O-CB 3.47Å; H104-V108 WeakPolarHBondContact O-CG2 3.21Å; H104-V108 PolarHBondContact O-N 3.27Å
105	I	31.1	Very low	33.4	Very low	76 Å²	76	119 Å²	119	39%	0.39	56%	0.563	S	S	.	*	H	α-helix	trans	-67.6	-37.7	172.9	-69.2	166.2	0	0	0	110.5	R101 K109	R101-I105 WeakPolarHBondContact O-CB 3.33Å; R101-I105 WeakPolarHBondContact O-CD1 3.23Å; R101-I105 WeakPolarHBondContact O-CG1 3.44Å; R101-I105 PolarHBondContact O-N 2.71Å; I105-K109 HydrophobicContact CG2-CD 3.9Å; I105-K109 HydrophobicContact CG2-CG 4.35Å; I105-K109 WeakPolarHBondContact O-CB 3.35Å; I105-K109 WeakPolarHBondContact O-CG 3.3Å; I105-K109 PolarHBondContact O-N 3.37Å
106	Q	33.7	Very low	32.9	Very low	95 Å²	95	125 Å²	125	44%	0.444	58%	0.58	S	S	.	*	H	α-helix	trans	-67.1	-42.1	172.5	-79.3	-178	-17.3	0	0	112	H102 H110	H102-Q106 PolarHBondContact NE2-NE2 3.22Å; H102-Q106 VanDerWaalsContact NE2-NE2 3.15Å; H102-Q106 WeakPolarHBondContact O-CB 3.33Å; H102-Q106 WeakPolarHBondContact O-CG 3.19Å; H102-Q106 PolarHBondContact O-N 2.93Å; Q106-H110 WeakPolarHBondContact O-CB 3.42Å; Q106-H110 PolarHBondContact O-CD2 3.19Å; Q106-H110 PolarHBondContact O-N 3.09Å
107	S	32.3	Very low	32.5	Very low	53 Å²	53	128.2 Å²	128.2	37%	0.371	60%	0.597	S	S	.	*	H	α-helix	trans	-68.3	-44.2	178	74.1	0	0	0	0	111.2	L103 H104 H110 T111	L103-S107 VanDerWaalsContact O-CB 3.28Å; L103-S107 WeakPolarHBondContact O-CB 3.45Å; L103-S107 PolarHBondContact O-N 3Å; L103-S107 PolarHBondContact O-OG 2.87Å; H104-S107 WeakPolarHBondContact CA-OG 3.12Å; H104-S107 PolarHBondContact O-N 2.97Å; H104-S107 PolarHBondContact O-OG 2.9Å; H104-S107 VanDerWaalsContact O-OG 3.11Å; S107-H110 CarbonylContact O-C 3.58Å; S107-H110 PolarHBondContact O-N 2.97Å; S107-T111 WeakPolarHBondContact O-CB 3.41Å; S107-T111 VanDerWaalsContact O-CG2 3.23Å; S107-T111 WeakPolarHBondContact O-CG2 3.44Å; S107-T111 PolarHBondContact O-N 3.02Å; S107-T111 PolarHBondContact O-OG1 3.4Å
108	V	31.2	Very low	31.6	Very low	61 Å²	61	132.7 Å²	132.7	37%	0.37	63%	0.627	S	S	.	*	H	α-helix	trans	-69.8	-33.1	179.6	175	0	0	0	0	112.8	H104 H110 T111	H104-V108 WeakPolarHBondContact O-CB 3.47Å; H104-V108 WeakPolarHBondContact O-CG2 3.21Å; H104-V108 PolarHBondContact O-N 3.27Å; V108-H110 PolarHBondContact O-N 3.42Å; V108-T111 WeakPolarHBondContact CA-OG1 3.19Å
109	K	35.9	Very low	31.1	Very low	165 Å²	165	135.8 Å²	135.8	72%	0.717	63%	0.634	S	S	*	*	H	α-helix	trans	-71	-14.9	170.6	-74.3	-179.7	177.5	-176.4	0	113.2	I105	I105-K109 HydrophobicContact CG2-CD 3.9Å; I105-K109 HydrophobicContact CG2-CG 4.35Å; I105-K109 WeakPolarHBondContact O-CB 3.35Å; I105-K109 WeakPolarHBondContact O-CG 3.3Å; I105-K109 PolarHBondContact O-N 3.37Å
110	H	32.6	Very low	30.6	Very low	162 Å²	162	139.5 Å²	139.5	75%	0.75	65%	0.648	S	S	*	*	H	α-helix	trans	-112	-2.5	176.2	-73.4	-62.1	0	0	0	114.7	Q106 S107 V108	Q106-H110 WeakPolarHBondContact O-CB 3.42Å; Q106-H110 PolarHBondContact O-CD2 3.19Å; Q106-H110 PolarHBondContact O-N 3.09Å; S107-H110 CarbonylContact O-C 3.58Å; S107-H110 PolarHBondContact O-N 2.97Å; V108-H110 PolarHBondContact O-N 3.42Å
111	T	32.1	Very low	30.5	Very low	98 Å²	98	136.9 Å²	136.9	60%	0.601	66%	0.656	S	S	*	*			trans	-115.5	20.8	-179	56.5	0	0	0	0	114.5	S107 V108 W113	S107-T111 WeakPolarHBondContact O-CB 3.41Å; S107-T111 VanDerWaalsContact O-CG2 3.23Å; S107-T111 WeakPolarHBondContact O-CG2 3.44Å; S107-T111 PolarHBondContact O-N 3.02Å; S107-T111 PolarHBondContact O-OG1 3.4Å; V108-T111 WeakPolarHBondContact CA-OG1 3.19Å; T111-W113 PolarHBondContact O-N 3.44Å
112	W	24.6	Very low	30.5	Very low	198 Å²	198	137.9 Å²	137.9	75%	0.75	68%	0.679	S	S	*	*			trans	-69	120.7	155.4	-89.7	48.9	0	0	0	108.1
113	W	24.4	Very low	30.1	Very low	219 Å²	219	136 Å²	136	83%	0.83	69%	0.69	S	S	*	*	S	Bend	trans	81.5	91.8	175.6	-46.4	94.4	0	0	0	116.9	T111	T111-W113 PolarHBondContact O-N 3.44Å
114	R	26.8	Very low	29.8	Very low	207 Å²	207	143.3 Å²	143.3	78%	0.781	71%	0.711	S	S	*	*				179.6	120.9	112.6	-94.3	177.2	-159.9	-133.4	8.2	111	K116	R114-K116 HydrophobicContact CB-CG 4.33Å; R114-K116 PolarHBondContact O-N 2.71Å
115	P	24.7	Very low	29.5	Very low	136 Å²	136	144.2 Å²	144.2	88%	0.883	73%	0.725	S	S	*	*			trans	-70.3	102.6	163.7	29.2	-28.3	0	0	0	107.4
116	K	29.4	Very low	29.3	Very low	175 Å²	175	143.7 Å²	143.7	76%	0.761	74%	0.738	S	S	*	*			trans	-95.4	109	173.7	-80.3	-174.1	178.3	176.4	0	109.2	R114	R114-K116 HydrophobicContact CB-CG 4.33Å; R114-K116 PolarHBondContact O-N 2.71Å
117	S	26.9	Very low	29	Very low	99 Å²	99	149.8 Å²	149.8	69%	0.692	76%	0.758	S	S	*	*			trans	-47	137.9	176.2	65.9	0	0	0	0	113	R119	S117-R119 PolarHBondContact O-N 2.97Å
118	V	23.2	Very low	28.8	Very low	143 Å²	143	153.1 Å²	153.1	87%	0.867	78%	0.777	S	S	*	*			trans	-62.5	118.1	165.4	-179.5	0	0	0	0	109.2
119	R	27.6	Very low	28.5	Very low	229 Å²	229	161.6 Å²	161.6	86%	0.864	80%	0.804	S	S	*	*			trans	-131	118.9	157.6	-86.7	-169.6	-178.6	-165.9	0.6	108.8	S117 S121	S117-R119 PolarHBondContact O-N 2.97Å; R119-S121 PolarHBondContact O-N 3.45Å
120	K	26	Very low	28	Very low	206 Å²	206	163 Å²	163	90%	0.896	81%	0.81	S	S	*	*			trans	-60.1	127.9	164.2	-78.7	177.5	171.4	178.1	0	108.2
121	S	34.8	Very low	28	Very low	120 Å²	120	160.3 Å²	160.3	84%	0.839	81%	0.807	S	S	*	*			trans	-113.7	118.4	160.8	55.8	0	0	0	0	108.4	R119	R119-S121 PolarHBondContact O-N 3.45Å
122	S	31.2	Very low	27.8	Very low	121 Å²	121	164.2 Å²	164.2	85%	0.846	82%	0.818	S	S	*	*			trans	-77.3	136.7	169.9	43.2	0	0	0	0	109.5
123	G	31.6	Very low	28.2	Very low	75 Å²	75	159.4 Å²	159.4	77%	0.773	82%	0.815	S	S	*	*			trans	88.7	93.7	157.1	0	0	0	0	0	117.1
124	R	32.2	Very low	28.4	Very low	253 Å²	253	153.4 Å²	153.4	96%	0.955	81%	0.812	S	S	*	*				-173.4	138.7	128	-116.4	172.8	169.6	174.2	-4	112.8
125	T	26.6	Very low	28.5	Very low	138 Å²	138	152.9 Å²	152.9	85%	0.847	82%	0.819	S	S	*	*			trans	-109.2	147	-172	26.2	0	0	0	0	111.8
126	G	28.5	Very low	28.6	Very low	64 Å²	64	155.3 Å²	155.3	66%	0.66	82%	0.818	S	S	*	*			trans	88.4	150.3	157.4	0	0	0	0	0	118.1
127	Y	27.2	Very low	28.5	Very low	223 Å²	223	157.2 Å²	157.2	88%	0.875	83%	0.826	S	S	*	*			cis	-162.3	152.1	12.7	-80.9	-85.1	0	0	0	114.1
128	T	26.9	Very low	28.5	Very low	123 Å²	123	158.3 Å²	158.3	76%	0.755	83%	0.828	S	S	*	*			trans	16.2	149.3	149.2	50.1	0	0	0	0	127.3
129	Y	24.5	Very low	28.6	Very low	240 Å²	240	158.4 Å²	158.4	94%	0.941	82%	0.823	S	S	*	*			trans	-140.5	149	145.5	-101.4	-93.8	0	0	0	112.1
130	K	27.4	Very low	28.5	Very low	195 Å²	195	152.5 Å²	152.5	85%	0.848	82%	0.816	S	S	*	*			trans	-132.9	178.1	178.5	-129	-173.5	-176.6	177.9	0	107.7
131	P	30.5	Very low	28.6	Very low	105 Å²	105	147.5 Å²	147.5	68%	0.682	81%	0.808	S	S	*	*			cis	-135	-176.3	-8.4	33.4	-8.5	0	0	0	113.3
132	Q	28.8	Very low	28.3	Very low	179 Å²	179	147.9 Å²	147.9	84%	0.836	81%	0.805	S	S	*	*				175	133.9	82	-170	161.5	-14.8	0	0	113.7
133	S	32.6	Very low	28	Very low	97 Å²	97	151 Å²	151	68%	0.678	80%	0.803	S	S	*	*			trans	-14.1	134.3	169.1	55.7	0	0	0	0	123.8
134	A	28.5	Very low	27.9	Very low	94 Å²	94	152.9 Å²	152.9	78%	0.777	80%	0.804	S	S	*	*				98	136.8	87.4	0	0	0	0	0	112.5
135	Q	30.1	Very low	27.6	Very low	196 Å²	196	148.4 Å²	148.4	92%	0.916	79%	0.794	S	S	*	*			cis	-172.2	145.4	49	-129.4	169.7	-3	0	0	110.4
136	E	26.3	Very low	27.8	Very low	186 Å²	186	149 Å²	149	87%	0.869	79%	0.791	S	S	*	*			trans	-76.1	152.4	175.5	-82.4	167.1	132.5	0	0	114.9
137	K	27.6	Very low	27.6	Very low	216 Å²	216	150.9 Å²	150.9	94%	0.939	79%	0.79	S	S	*	*			trans	-161	152.5	144.1	-124.4	176.1	-178.9	-177.6	0	113.4
138	V	26.3	Very low	27.7	Very low	121 Å²	121	147.1 Å²	147.1	73%	0.733	79%	0.785	S	S	*	*			trans	-112.5	161.7	-149.1	-171.6	0	0	0	0	111.9
139	I	25.5	Very low	27.5	Very low	146 Å²	146	149.8 Å²	149.8	75%	0.749	79%	0.788	S	S	*	*			trans	114.6	108.3	139.7	-51	176.8	0	0	0	119.5
140	S	26.2	Very low	27.7	Very low	104 Å²	104	144 Å²	144	73%	0.727	78%	0.778	S	S	*	*				62	142.9	127.7	95.2	0	0	0	0	128
141	S	26.9	Very low	27.7	Very low	102 Å²	102	143.8 Å²	143.8	71%	0.713	78%	0.78	S	S	*	*			trans	82.2	139.4	146.7	-132	0	0	0	0	116.5
142	T	28.8	Very low	27.5	Very low	128 Å²	128	143.6 Å²	143.6	79%	0.785	78%	0.782	S	S	*	*			cis	-164	148.5	29.2	-32.5	0	0	0	0	110
143	K	25.7	Very low	27.6	Very low	186 Å²	186	140.1 Å²	140.1	81%	0.809	78%	0.777	S	S	*	*			trans	-30.7	132.9	172.5	-161.2	176.6	-175.8	-175.3	0	118
144	S	29.7	Very low	27.7	Very low	114 Å²	114	139.9 Å²	139.9	80%	0.797	77%	0.771	S	S	*	*			trans	-142.7	132.6	145.1	49.1	0	0	0	0	110.1
145	E	25.1	Very low	28.2	Very low	159 Å²	159	141 Å²	141	74%	0.743	76%	0.764	S	S	*	*			trans	-86.9	123.6	-165.8	-178.7	169.9	-170.6	0	0	109.6
146	I	30.3	Very low	29.3	Very low	151 Å²	151	136.6 Å²	136.6	77%	0.774	74%	0.742	S	S	*	*			trans	-128.8	109.9	166.3	-57.4	177	0	0	0	106.5	D148	I146-D148 PolarHBondContact O-N 2.72Å
147	T	25.4	Very low	31.1	Very low	104 Å²	104	133.6 Å²	133.6	64%	0.638	73%	0.728	S	S	*	*			trans	-73.4	108.3	174.1	-40.1	0	0	0	0	107.6
148	D	27.7	Very low	32.5	Very low	144 Å²	144	124.4 Å²	124.4	77%	0.77	69%	0.69	S	S	*	*			trans	-130.5	106.9	160.9	-96	-32.7	0	0	0	109.1	I146 T150	I146-D148 PolarHBondContact O-N 2.72Å; D148-T150 PolarHBondContact O-N 2.87Å
149	Q	24.2	Very low	33.9	Very low	178 Å²	178	122.5 Å²	122.5	83%	0.832	68%	0.675	S	S	*	*			trans	-68.5	103.5	170.3	-65.8	172.9	-8.8	0	0	107
150	T	28.8	Very low	35.7	Very low	118 Å²	118	120.1 Å²	120.1	72%	0.724	66%	0.659	S	S	*	*			trans	-134.9	92.2	158.4	-35.9	0	0	0	0	106.8	D148 S152	D148-T150 PolarHBondContact O-N 2.87Å; T150-S152 PolarHBondContact O-N 3.01Å
151	E	25.8	Very low	37.6	Very low	192 Å²	192	118.7 Å²	118.7	90%	0.897	64%	0.638	S	S	*	*			trans	-56.4	86	165.4	-67.4	174.5	157.6	0	0	108.6	S153	E151-S153 VanDerWaalsContact C-N 3.28Å
152	S	28.4	Very low	39.4	Very low	101 Å²	101	115 Å²	115	71%	0.706	61%	0.61	S	S	*	*			trans	-96.4	61.8	161.4	75.7	0	0	0	0	108.4	T150 V154	T150-S152 PolarHBondContact O-N 3.01Å; S152-V154 PolarHBondContact O-N 3.06Å
153	S	29.2	Very low	41	Very low	105 Å²	105	114.4 Å²	114.4	73%	0.734	60%	0.598	S	S	*	*			trans	-73.6	68.7	161.8	69.6	0	0	0	0	108.1	E151 D155	E151-S153 VanDerWaalsContact C-N 3.28Å; S153-D155 VanDerWaalsContact C-N 3.26Å; S153-D155 PolarHBondContact O-N 3.23Å; S153-D155 VanDerWaalsContact O-N 3.1Å
154	V	34.8	Very low	43.2	Very low	92 Å²	92	108.7 Å²	108.7	56%	0.558	58%	0.579	S	S	*	*			trans	-77.7	95.5	161.4	-176.9	0	0	0	0	104.4	S152 F156	S152-V154 PolarHBondContact O-N 3.06Å; V154-F156 HydrophobicContact CB-CD2 3.97Å; V154-F156 HydrophobicContact CB-CE2 3.74Å; V154-F156 HydrophobicContact CB-CZ 4.48Å; V154-F156 HydrophobicContact CG1-CD2 3.75Å; V154-F156 HydrophobicContact CG1-CE1 4.39Å; V154-F156 HydrophobicContact CG1-CE2 3.57Å; V154-F156 HydrophobicContact CG1-CG 4.24Å; V154-F156 HydrophobicContact CG1-CZ 3.92Å; V154-F156 VanDerWaalsContact O-CD2 3.27Å; V154-F156 WeakPolarHBondContact O-CD2 3.4Å; V154-F156 PolarHBondContact O-N 3.35Å
155	D	39.6	Very low	45.1	Very low	117 Å²	117	103.6 Å²	103.6	63%	0.626	54%	0.543	S	S	*	.			trans	-55.4	90.8	164.5	-105	-7.6	0	0	0	107.5	S153 E157 K160	S153-D155 VanDerWaalsContact C-N 3.26Å; S153-D155 PolarHBondContact O-N 3.23Å; S153-D155 VanDerWaalsContact O-N 3.1Å; D155-E157 PolarHBondContact O-N 2.78Å; D155-K160 VanDerWaalsContact OD1-CE 3.31Å; D155-K160 WeakPolarHBondContact OD1-CE 3.48Å; D155-K160 IonicContact OD1-NZ 2.7Å; D155-K160 PolarHBondContact OD1-NZ 3.31Å; D155-K160 IonicContact OD2-NZ 2.66Å; D155-K160 PolarHBondContact OD2-NZ 3.09Å; D155-K160 VanDerWaalsContact OD2-NZ 3.15Å
156	F	52.6	Low	46.9	Very low	104 Å²	104	97.5 Å²	97.5	46%	0.456	52%	0.516	S	S	.	.			trans	-73.6	83.4	175.9	-87.1	-83.4	0	0	0	108	V154 I159 K160	V154-F156 HydrophobicContact CB-CD2 3.97Å; V154-F156 HydrophobicContact CB-CE2 3.74Å; V154-F156 HydrophobicContact CB-CZ 4.48Å; V154-F156 HydrophobicContact CG1-CD2 3.75Å; V154-F156 HydrophobicContact CG1-CE1 4.39Å; V154-F156 HydrophobicContact CG1-CE2 3.57Å; V154-F156 HydrophobicContact CG1-CG 4.24Å; V154-F156 HydrophobicContact CG1-CZ 3.92Å; V154-F156 VanDerWaalsContact O-CD2 3.27Å; V154-F156 WeakPolarHBondContact O-CD2 3.4Å; V154-F156 PolarHBondContact O-N 3.35Å; F156-I159 HydrophobicContact CB-CB 4.09Å; F156-I159 HydrophobicContact CB-CD1 3.72Å; F156-I159 HydrophobicContact CB-CG1 3.9Å; F156-I159 HydrophobicContact CD1-CD1 4.45Å; F156-I159 HydrophobicContact CG-CD1 4.02Å; F156-I159 PolarHBondContact O-N 3.11Å; F156-K160 PolarHBondContact O-N 3.12Å; F156-K160 VanDerWaalsContact O-N 3.13Å
157	E	64.1	Low	48.6	Very low	124 Å²	124	95.7 Å²	95.7	58%	0.579	51%	0.505	S	S	*	.	H	α-helix	trans	-47.3	-37.6	174.7	-160.2	-165.9	-160.4	0	0	113	D155 K160 R161	D155-E157 PolarHBondContact O-N 2.78Å; E157-K160 PolarHBondContact O-N 2.69Å; E157-R161 WeakPolarHBondContact O-CB 3.29Å; E157-R161 VanDerWaalsContact O-CG 3.28Å; E157-R161 WeakPolarHBondContact O-CG 3.4Å; E157-R161 PolarHBondContact O-N 2.98Å; E157-R161 PolarHBondContact O-NE 2.84Å; E157-R161 IonicContact OE2-CZ 3.15Å; E157-R161 IonicContact OE2-NH2 2.69Å; E157-R161 PolarHBondContact OE2-NH2 3.17Å
158	P	57.2	Low	50.5	Low	22 Å²	22	93.1 Å²	93.1	14%	0.143	49%	0.487	C	S	.	.	H	α-helix	trans	-65.7	-37.5	175.2	-23.5	35.9	0	0	0	113.9	R161 I162 I186 M190	P158-R161 PolarHBondContact O-N 2.8Å; P158-I162 WeakPolarHBondContact O-CG1 3.32Å; P158-I162 PolarHBondContact O-N 3.35Å; P158-I186 HydrophobicContact CB-CG2 4.16Å; P158-M190 HydrophobicContact CB-CG 3.93Å; P158-M190 HydrophobicContact CB-SD 4.41Å; P158-M190 HydrophobicContact CG-CG 4.39Å
159	I	55.5	Low	52	Low	81 Å²	81	87.3 Å²	87.3	42%	0.415	46%	0.457	S	S	.	.	H	α-helix	trans	-70	-42.2	179.2	-62.8	176.9	0	0	0	110.1	F156 R161 I162 Q163	F156-I159 HydrophobicContact CB-CB 4.09Å; F156-I159 HydrophobicContact CB-CD1 3.72Å; F156-I159 HydrophobicContact CB-CG1 3.9Å; F156-I159 HydrophobicContact CD1-CD1 4.45Å; F156-I159 HydrophobicContact CG-CD1 4.02Å; F156-I159 PolarHBondContact O-N 3.11Å; I159-R161 VanDerWaalsContact C-N 3.28Å; I159-R161 PolarHBondContact O-N 3.05Å; I159-I162 PolarHBondContact O-N 2.99Å; I159-Q163 WeakPolarHBondContact O-CG 3.22Å; I159-Q163 PolarHBondContact O-N 3.01Å
160	K	63.5	Low	53.5	Low	97 Å²	97	86.8 Å²	86.8	42%	0.422	45%	0.447	S	S	.	.	H	α-helix	trans	-60	-41.3	173.2	-68.3	-173.9	-176.5	177.8	0	111	D155 F156 E157 I162 Q163 T164	D155-K160 VanDerWaalsContact OD1-CE 3.31Å; D155-K160 WeakPolarHBondContact OD1-CE 3.48Å; D155-K160 IonicContact OD1-NZ 2.7Å; D155-K160 PolarHBondContact OD1-NZ 3.31Å; D155-K160 IonicContact OD2-NZ 2.66Å; D155-K160 PolarHBondContact OD2-NZ 3.09Å; D155-K160 VanDerWaalsContact OD2-NZ 3.15Å; F156-K160 PolarHBondContact O-N 3.12Å; F156-K160 VanDerWaalsContact O-N 3.13Å; E157-K160 PolarHBondContact O-N 2.69Å; K160-I162 PolarHBondContact O-N 2.65Å; K160-Q163 WeakPolarHBondContact O-CB 3.44Å; K160-Q163 PolarHBondContact O-N 3.04Å; K160-T164 PolarHBondContact O-N 3.41Å; K160-T164 PolarHBondContact O-OG1 3.33Å; K160-T164 VanDerWaalsContact O-OG1 3.09Å
161	R	66.9	Low	55.3	Low	74 Å²	74	86.9 Å²	86.9	28%	0.279	44%	0.443	S	S	.	.	H	α-helix	trans	-64.3	-37.5	176.5	-76.8	-175.2	-92.8	158.4	-6.2	113	E157 P158 I159 T164 L165 I186 E189	E157-R161 WeakPolarHBondContact O-CB 3.29Å; E157-R161 VanDerWaalsContact O-CG 3.28Å; E157-R161 WeakPolarHBondContact O-CG 3.4Å; E157-R161 PolarHBondContact O-N 2.98Å; E157-R161 PolarHBondContact O-NE 2.84Å; E157-R161 IonicContact OE2-CZ 3.15Å; E157-R161 IonicContact OE2-NH2 2.69Å; E157-R161 PolarHBondContact OE2-NH2 3.17Å; P158-R161 PolarHBondContact O-N 2.8Å; I159-R161 VanDerWaalsContact C-N 3.28Å; I159-R161 PolarHBondContact O-N 3.05Å; R161-T164 PolarHBondContact O-N 3.19Å; R161-L165 WeakPolarHBondContact O-CB 3.31Å; R161-L165 PolarHBondContact O-N 2.94Å; R161-I186 HydrophobicContact CB-CD1 4.24Å; R161-E189 IonicContact CZ-OE2 2.96Å; R161-E189 IonicContact NH1-OE1 2.88Å; R161-E189 PolarHBondContact NH1-OE1 2.91Å; R161-E189 IonicContact NH1-OE2 2.72Å; R161-E189 PolarHBondContact NH1-OE2 3.44Å; R161-E189 IonicContact NH2-OE2 3.74Å; R161-E189 PolarHBondContact NH2-OE2 3.17Å
162	I	64.6	Low	57.1	Low	23 Å²	23	86.4 Å²	86.4	12%	0.118	44%	0.441	C	S	.	.	H	α-helix	trans	-63.5	-43.9	172.2	-66	161.2	0	0	0	110.5	P158 I159 K160 L165 V166 I186 L266	P158-I162 WeakPolarHBondContact O-CG1 3.32Å; P158-I162 PolarHBondContact O-N 3.35Å; I159-I162 PolarHBondContact O-N 2.99Å; K160-I162 PolarHBondContact O-N 2.65Å; I162-L165 WeakPolarHBondContact O-CB 3.38Å; I162-L165 PolarHBondContact O-N 3.36Å; I162-L165 VanDerWaalsContact O-N 3.17Å; I162-V166 WeakPolarHBondContact O-CG2 3.32Å; I162-V166 PolarHBondContact O-N 2.86Å; I162-I186 HydrophobicContact CD1-CG2 3.94Å; I162-I186 HydrophobicContact CG1-CD1 4.02Å; I162-I186 HydrophobicContact CG1-CG2 3.92Å; I162-L266 HydrophobicContact CD1-CD1 4.35Å; I162-L266 HydrophobicContact CD1-CD2 3.7Å
163	Q	61.4	Low	59	Low	116 Å²	116	85 Å²	85	54%	0.542	43%	0.431	S	S	.	.	H	α-helix	trans	-61	-45.8	177.3	-70.8	174.7	-27.2	0	0	112	I159 K160 L165 V166 E167	I159-Q163 WeakPolarHBondContact O-CG 3.22Å; I159-Q163 PolarHBondContact O-N 3.01Å; K160-Q163 WeakPolarHBondContact O-CB 3.44Å; K160-Q163 PolarHBondContact O-N 3.04Å; Q163-L165 VanDerWaalsContact C-N 3.28Å; Q163-L165 PolarHBondContact O-N 2.92Å; Q163-V166 WeakPolarHBondContact O-CB 3.41Å; Q163-V166 PolarHBondContact O-N 3.02Å; Q163-E167 WeakPolarHBondContact O-CG 3.21Å; Q163-E167 PolarHBondContact O-N 3.11Å; Q163-E167 VanDerWaalsContact O-N 3.08Å
164	T	71.9	Confident	60.8	Low	66 Å²	66	81.9 Å²	81.9	41%	0.405	41%	0.406	S	S	.	.	H	α-helix	trans	-63.2	-34.5	174.7	-53	0	0	0	0	112.1	K160 R161 E167 N168	K160-T164 PolarHBondContact O-N 3.41Å; K160-T164 PolarHBondContact O-OG1 3.33Å; K160-T164 VanDerWaalsContact O-OG1 3.09Å; R161-T164 PolarHBondContact O-N 3.19Å; T164-E167 PolarHBondContact O-N 2.81Å; T164-N168 WeakPolarHBondContact O-CB 3.44Å; T164-N168 PolarHBondContact O-N 3.46Å; T164-N168 PolarHBondContact O-ND2 2.98Å; T164-N168 PolarHBondContact O-OD1 3.14Å
165	L	69.2	Low	62.4	Low	7 Å²	7	80.1 Å²	80.1	4%	0.037	40%	0.397	C	S	.	.	H	α-helix	trans	-66.3	-40.7	176.3	-165.3	64.7	0	0	0	111.5	R161 I162 Q163 E167 N168 V169 I174 V179 I182 L183 I186	R161-L165 WeakPolarHBondContact O-CB 3.31Å; R161-L165 PolarHBondContact O-N 2.94Å; I162-L165 WeakPolarHBondContact O-CB 3.38Å; I162-L165 PolarHBondContact O-N 3.36Å; I162-L165 VanDerWaalsContact O-N 3.17Å; Q163-L165 VanDerWaalsContact C-N 3.28Å; Q163-L165 PolarHBondContact O-N 2.92Å; L165-E167 VanDerWaalsContact C-N 3.35Å; L165-N168 PolarHBondContact O-N 3.36Å; L165-V169 VanDerWaalsContact O-CG2 3.25Å; L165-V169 WeakPolarHBondContact O-CG2 3.22Å; L165-V169 PolarHBondContact O-N 3.28Å; L165-I174 HydrophobicContact CD1-CD1 4.41Å; L165-V179 HydrophobicContact CD2-CG1 3.81Å; L165-V179 HydrophobicContact CG-CG1 4.18Å; L165-I182 HydrophobicContact CD1-CB 4.27Å; L165-I182 HydrophobicContact CD1-CD1 3.81Å; L165-I182 HydrophobicContact CD1-CG2 3.9Å; L165-I182 HydrophobicContact CD2-CB 4.21Å; L165-I182 HydrophobicContact CD2-CG2 3.82Å; L165-I182 HydrophobicContact CG-CG2 4.49Å; L165-L183 HydrophobicContact CD2-CD2 3.77Å; L165-L183 HydrophobicContact CD2-CG 3.95Å; L165-I186 HydrophobicContact CD2-CD1 4.47Å
166	V	63.1	Low	63.3	Low	31 Å²	31	78.3 Å²	78.3	19%	0.188	39%	0.388	C	S	.	.	H	α-helix	trans	-59.4	-46.2	173.2	176	0	0	0	0	110.6	I162 Q163 V169 R170 L270 L273	I162-V166 WeakPolarHBondContact O-CG2 3.32Å; I162-V166 PolarHBondContact O-N 2.86Å; Q163-V166 WeakPolarHBondContact O-CB 3.41Å; Q163-V166 PolarHBondContact O-N 3.02Å; V166-V169 PolarHBondContact O-N 2.9Å; V166-R170 WeakPolarHBondContact O-CB 3.39Å; V166-R170 PolarHBondContact O-N 2.79Å; V166-L270 HydrophobicContact CB-CD2 4.3Å; V166-L270 HydrophobicContact CG2-CD2 3.49Å; V166-L270 VanDerWaalsContact CG2-CD2 3.49Å; V166-L270 HydrophobicContact CG2-CG 4.46Å; V166-L273 HydrophobicContact CG1-CB 4.45Å; V166-L273 HydrophobicContact CG1-CD1 4.23Å; V166-L273 HydrophobicContact CG2-CD1 3.78Å
167	E	66.7	Low	64	Low	113 Å²	113	79.4 Å²	79.4	53%	0.528	40%	0.398	S	S	.	.	H	α-helix	trans	-61.6	-45	177.3	-70.1	172.4	172.2	0	0	111.5	Q163 T164 L165 V169 R170 D171	Q163-E167 WeakPolarHBondContact O-CG 3.21Å; Q163-E167 PolarHBondContact O-N 3.11Å; Q163-E167 VanDerWaalsContact O-N 3.08Å; T164-E167 PolarHBondContact O-N 2.81Å; L165-E167 VanDerWaalsContact C-N 3.35Å; E167-V169 PolarHBondContact O-N 2.86Å; E167-R170 WeakPolarHBondContact O-CB 3.38Å; E167-R170 PolarHBondContact O-N 3.1Å; E167-D171 PolarHBondContact O-N 2.97Å
168	N	64.8	Low	64.4	Low	51 Å²	51	78.4 Å²	78.4	27%	0.273	39%	0.393	S	S	.	.	H	α-helix	trans	-65.2	-37.4	-179.9	-71.6	-16.2	0	0	0	113.4	T164 L165 R170 S173 I174	T164-N168 WeakPolarHBondContact O-CB 3.44Å; T164-N168 PolarHBondContact O-N 3.46Å; T164-N168 PolarHBondContact O-ND2 2.98Å; T164-N168 PolarHBondContact O-OD1 3.14Å; L165-N168 PolarHBondContact O-N 3.36Å; N168-R170 VanDerWaalsContact C-N 3.35Å; N168-S173 VanDerWaalsContact C-OG 3.32Å; N168-S173 VanDerWaalsContact CA-OG 3.24Å; N168-S173 WeakPolarHBondContact CA-OG 3.3Å; N168-S173 VanDerWaalsContact CB-OG 3.3Å; N168-S173 WeakPolarHBondContact CB-OG 3.33Å; N168-S173 PolarHBondContact O-N 3.3Å; N168-S173 PolarHBondContact O-OG 3.05Å; N168-I174 HydrophobicContact CB-CD1 3.88Å; N168-I174 HydrophobicContact CB-CG1 4.23Å
169	V	59.5	Low	64.8	Low	21 Å²	21	77.5 Å²	77.5	13%	0.127	39%	0.388	C	S	.	.	H	α-helix	trans	-68.9	-38.3	175.1	177.5	0	0	0	0	110.5	L165 V166 E167 E172 V179 L274	L165-V169 VanDerWaalsContact O-CG2 3.25Å; L165-V169 WeakPolarHBondContact O-CG2 3.22Å; L165-V169 PolarHBondContact O-N 3.28Å; V166-V169 PolarHBondContact O-N 2.9Å; E167-V169 PolarHBondContact O-N 2.86Å; V169-E172 PolarHBondContact O-N 2.97Å; V169-V179 HydrophobicContact CG2-CB 4.5Å; V169-V179 HydrophobicContact CG2-CG2 3.19Å; V169-L274 HydrophobicContact CG1-CD1 3.99Å; V169-L274 HydrophobicContact CG1-CD2 3.77Å
170	R	55.7	Low	65.2	Low	167 Å²	167	80 Å²	80	63%	0.63	39%	0.392	S	S	*	.	H	α-helix	trans	-64	-40.1	175.5	-174.6	-176	-176.9	177.3	4.8	112.3	V166 E167 N168 E172	V166-R170 WeakPolarHBondContact O-CB 3.39Å; V166-R170 PolarHBondContact O-N 2.79Å; E167-R170 WeakPolarHBondContact O-CB 3.38Å; E167-R170 PolarHBondContact O-N 3.1Å; N168-R170 VanDerWaalsContact C-N 3.35Å; R170-E172 PolarHBondContact O-N 3.08Å
171	D	66	Low	65.7	Low	120 Å²	120	79.1 Å²	79.1	64%	0.642	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	11.1	179.6	-69	-15.3	0	0	0	113	E167 S173	E167-D171 PolarHBondContact O-N 2.97Å; D171-S173 PolarHBondContact O-N 3.04Å
172	E	65	Low	65.9	Low	183 Å²	183	78.6 Å²	78.6	86%	0.855	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	20.6	-175.9	-60.9	-176.6	174.4	0	0	113.7	V169 R170 I174	V169-E172 PolarHBondContact O-N 2.97Å; R170-E172 PolarHBondContact O-N 3.08Å; E172-I174 VanDerWaalsContact C-N 3.33Å
173	S	68.1	Low	66	Low	72 Å²	72	77.6 Å²	77.6	50%	0.503	39%	0.393	S	S	.	.			trans	-81	-16.6	-175.8	69.5	0	0	0	0	113	N168 D171	N168-S173 VanDerWaalsContact C-OG 3.32Å; N168-S173 VanDerWaalsContact CA-OG 3.24Å; N168-S173 WeakPolarHBondContact CA-OG 3.3Å; N168-S173 VanDerWaalsContact CB-OG 3.3Å; N168-S173 WeakPolarHBondContact CB-OG 3.33Å; N168-S173 PolarHBondContact O-N 3.3Å; N168-S173 PolarHBondContact O-OG 3.05Å; D171-S173 PolarHBondContact O-N 3.04Å
174	I	67.2	Low	66.4	Low	39 Å²	39	77.9 Å²	77.9	20%	0.2	39%	0.389	C	S	.	.	S	Bend	trans	-139.5	135.6	-179	-68.9	-177.9	0	0	0	109	L165 N168 E172 E178 V179 I182	L165-I174 HydrophobicContact CD1-CD1 4.41Å; N168-I174 HydrophobicContact CB-CD1 3.88Å; N168-I174 HydrophobicContact CB-CG1 4.23Å; E172-I174 VanDerWaalsContact C-N 3.33Å; I174-E178 HydrophobicContact CG2-CB 3.63Å; I174-V179 HydrophobicContact CG2-CG2 3.85Å; I174-I182 HydrophobicContact CD1-CD1 4.45Å
175	S	67.7	Low	66.5	Low	54 Å²	54	78.4 Å²	78.4	38%	0.378	39%	0.39	S	S	.	.			trans	-78.3	151.6	174.9	64.4	0	0	0	0	112	D177 E178 V179	S175-D177 PolarHBondContact O-N 3.48Å; S175-D177 VanDerWaalsContact O-N 3.12Å; S175-E178 PolarHBondContact N-OE2 3.4Å; S175-E178 WeakPolarHBondContact O-CA 3.4Å; S175-E178 WeakPolarHBondContact O-CB 3.16Å; S175-E178 PolarHBondContact O-N 2.89Å; S175-E178 VanDerWaalsContact OG-CG 3.25Å; S175-E178 WeakPolarHBondContact OG-CG 3.23Å; S175-E178 PolarHBondContact OG-OE2 3.37Å; S175-V179 WeakPolarHBondContact O-CG2 3.24Å; S175-V179 PolarHBondContact O-N 3.33Å; S175-V179 VanDerWaalsContact O-N 3.15Å
176	L	59.6	Low	66.5	Low	80 Å²	80	78.3 Å²	78.3	42%	0.419	39%	0.389	S	S	.	.	H	α-helix	trans	-57.3	-31	178.7	-166.7	72.3	0	0	0	112.9	E178 V179 R180	L176-E178 VanDerWaalsContact C-N 3.27Å; L176-E178 PolarHBondContact O-N 2.75Å; L176-V179 WeakPolarHBondContact O-CB 3.42Å; L176-V179 PolarHBondContact O-N 3.3Å; L176-R180 PolarHBondContact O-N 2.99Å
177	D	66.6	Low	66.3	Low	126 Å²	126	76.8 Å²	76.8	67%	0.674	38%	0.38	S	S	*	.	H	α-helix	trans	-66.9	-29.5	175.5	-71.4	-27.9	0	0	0	112.3	S175 P181	S175-D177 PolarHBondContact O-N 3.48Å; S175-D177 VanDerWaalsContact O-N 3.12Å; D177-P181 WeakPolarHBondContact O-CD 3.36Å
178	E	71.9	Confident	66.2	Low	104 Å²	104	75.5 Å²	75.5	49%	0.486	37%	0.374	S	S	.	.	H	α-helix	trans	-81.2	-24	174.1	-70.1	164.5	153	0	0	112.4	I174 S175 L176 P181 I182	I174-E178 HydrophobicContact CG2-CB 3.63Å; S175-E178 PolarHBondContact N-OE2 3.4Å; S175-E178 WeakPolarHBondContact O-CA 3.4Å; S175-E178 WeakPolarHBondContact O-CB 3.16Å; S175-E178 PolarHBondContact O-N 2.89Å; S175-E178 VanDerWaalsContact OG-CG 3.25Å; S175-E178 WeakPolarHBondContact OG-CG 3.23Å; S175-E178 PolarHBondContact OG-OE2 3.37Å; L176-E178 VanDerWaalsContact C-N 3.27Å; L176-E178 PolarHBondContact O-N 2.75Å; E178-P181 WeakPolarHBondContact O-CD 3.28Å; E178-P181 VanDerWaalsContact O-CG 3.31Å; E178-P181 WeakPolarHBondContact O-CG 3.36Å; E178-I182 VanDerWaalsContact O-CD1 3.26Å; E178-I182 WeakPolarHBondContact O-CD1 3.42Å; E178-I182 VanDerWaalsContact O-CG1 3.3Å; E178-I182 WeakPolarHBondContact O-CG1 3.49Å
179	V	66.8	Low	66.3	Low	3 Å²	3	76.3 Å²	76.3	2%	0.018	38%	0.376	C	S	.	.	H	α-helix	trans	-68.9	-43.5	178.3	176.3	0	0	0	0	112.1	L165 V169 I174 S175 L176 I182 L183 L270	L165-V179 HydrophobicContact CD2-CG1 3.81Å; L165-V179 HydrophobicContact CG-CG1 4.18Å; V169-V179 HydrophobicContact CG2-CB 4.5Å; V169-V179 HydrophobicContact CG2-CG2 3.19Å; I174-V179 HydrophobicContact CG2-CG2 3.85Å; S175-V179 WeakPolarHBondContact O-CG2 3.24Å; S175-V179 PolarHBondContact O-N 3.33Å; S175-V179 VanDerWaalsContact O-N 3.15Å; L176-V179 WeakPolarHBondContact O-CB 3.42Å; L176-V179 PolarHBondContact O-N 3.3Å; V179-I182 WeakPolarHBondContact O-CA 3.33Å; V179-I182 WeakPolarHBondContact O-CB 3.44Å; V179-I182 PolarHBondContact O-N 3.02Å; V179-L183 HydrophobicContact CG1-CD1 3.93Å; V179-L183 HydrophobicContact CG1-CG 4Å; V179-L183 PolarHBondContact O-N 2.61Å; V179-L270 HydrophobicContact CG1-CD1 3.82Å
180	R	63.2	Low	66.2	Low	133 Å²	133	78.8 Å²	78.8	50%	0.502	39%	0.387	S	S	.	.	H	α-helix	trans	-55.2	-50.1	-176.6	-69.8	-173.9	-173.1	173.6	3.2	114.2	L176 I182 L183 R184	L176-R180 PolarHBondContact O-N 2.99Å; R180-I182 PolarHBondContact O-N 2.96Å; R180-L183 PolarHBondContact O-N 3.43Å; R180-R184 WeakPolarHBondContact O-CB 3.36Å; R180-R184 PolarHBondContact O-N 3.46Å
181	P	73.1	Confident	66.2	Low	79 Å²	79	71.5 Å²	71.5	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-64.5	-31.2	176.7	25	-33.7	0	0	0	112.3	D177 E178 N185	D177-P181 WeakPolarHBondContact O-CD 3.36Å; E178-P181 WeakPolarHBondContact O-CD 3.28Å; E178-P181 VanDerWaalsContact O-CG 3.31Å; E178-P181 WeakPolarHBondContact O-CG 3.36Å; P181-N185 WeakPolarHBondContact O-CB 3.49Å; P181-N185 PolarHBondContact O-N 3.46Å
182	I	72.2	Confident	65.8	Low	63 Å²	63	70 Å²	70	32%	0.323	35%	0.35	S	S	.	.	H	α-helix	trans	-68.4	-46.8	177.2	-61.1	167.7	0	0	0	110.6	L165 I174 E178 V179 R180 R184 N185 I186	L165-I182 HydrophobicContact CD1-CB 4.27Å; L165-I182 HydrophobicContact CD1-CD1 3.81Å; L165-I182 HydrophobicContact CD1-CG2 3.9Å; L165-I182 HydrophobicContact CD2-CB 4.21Å; L165-I182 HydrophobicContact CD2-CG2 3.82Å; L165-I182 HydrophobicContact CG-CG2 4.49Å; I174-I182 HydrophobicContact CD1-CD1 4.45Å; E178-I182 VanDerWaalsContact O-CD1 3.26Å; E178-I182 WeakPolarHBondContact O-CD1 3.42Å; E178-I182 VanDerWaalsContact O-CG1 3.3Å; E178-I182 WeakPolarHBondContact O-CG1 3.49Å; V179-I182 WeakPolarHBondContact O-CA 3.33Å; V179-I182 WeakPolarHBondContact O-CB 3.44Å; V179-I182 PolarHBondContact O-N 3.02Å; R180-I182 PolarHBondContact O-N 2.96Å; I182-R184 VanDerWaalsContact C-N 3.33Å; I182-R184 PolarHBondContact O-N 2.87Å; I182-N185 WeakPolarHBondContact O-CB 3.39Å; I182-N185 PolarHBondContact O-N 3.13Å; I182-I186 HydrophobicContact CG2-CD1 4.02Å; I182-I186 WeakPolarHBondContact O-CG1 3.43Å; I182-I186 PolarHBondContact O-N 3.01Å
183	L	66.4	Low	65.3	Low	2 Å²	2	63.2 Å²	63.2	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-60	-43.2	174.6	-76.5	178.8	0	0	0	112.5	L165 V179 R180 N185 I186 S187 L266 E267 L270	L165-L183 HydrophobicContact CD2-CD2 3.77Å; L165-L183 HydrophobicContact CD2-CG 3.95Å; V179-L183 HydrophobicContact CG1-CD1 3.93Å; V179-L183 HydrophobicContact CG1-CG 4Å; V179-L183 PolarHBondContact O-N 2.61Å; R180-L183 PolarHBondContact O-N 3.43Å; L183-N185 VanDerWaalsContact C-N 3.29Å; L183-N185 PolarHBondContact O-N 3.37Å; L183-I186 PolarHBondContact O-N 2.96Å; L183-S187 WeakPolarHBondContact O-CB 3.38Å; L183-S187 PolarHBondContact O-N 3.19Å; L183-S187 PolarHBondContact O-OG 3.15Å; L183-L266 HydrophobicContact CD2-CB 3.99Å; L183-L266 HydrophobicContact CD2-CD1 4.33Å; L183-E267 HydrophobicContact CD1-CG 3.62Å; L183-L270 HydrophobicContact CD1-CD1 3.27Å; L183-L270 HydrophobicContact CD2-CD1 3.6Å; L183-L270 HydrophobicContact CG-CD1 3.75Å
184	R	69.7	Low	64.4	Low	121 Å²	121	63.7 Å²	63.7	46%	0.457	33%	0.329	S	S	.	.	H	α-helix	trans	-60.6	-43	176.7	-166.3	177	-172.3	-160	1	110.7	R180 I182 S187 Q188	R180-R184 WeakPolarHBondContact O-CB 3.36Å; R180-R184 PolarHBondContact O-N 3.46Å; I182-R184 VanDerWaalsContact C-N 3.33Å; I182-R184 PolarHBondContact O-N 2.87Å; R184-S187 WeakPolarHBondContact CA-OG 3.32Å; R184-S187 PolarHBondContact O-N 2.99Å; R184-S187 PolarHBondContact O-OG 2.69Å; R184-Q188 WeakPolarHBondContact O-CG 3.33Å; R184-Q188 PolarHBondContact O-N 3.41Å
185	N	74.6	Confident	63.6	Low	78 Å²	78	64.1 Å²	64.1	42%	0.417	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-45.1	174.9	-172.1	50.3	0	0	0	112	P181 I182 L183 S187 Q188 E189	P181-N185 WeakPolarHBondContact O-CB 3.49Å; P181-N185 PolarHBondContact O-N 3.46Å; I182-N185 WeakPolarHBondContact O-CB 3.39Å; I182-N185 PolarHBondContact O-N 3.13Å; L183-N185 VanDerWaalsContact C-N 3.29Å; L183-N185 PolarHBondContact O-N 3.37Å; N185-S187 VanDerWaalsContact C-N 3.32Å; N185-S187 PolarHBondContact O-N 2.87Å; N185-Q188 PolarHBondContact O-N 2.93Å; N185-E189 PolarHBondContact ND2-OE1 3.25Å; N185-E189 WeakPolarHBondContact O-CG 3.38Å; N185-E189 PolarHBondContact O-N 3.24Å
186	I	68.7	Low	62.7	Low	4 Å²	4	66.8 Å²	66.8	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-43.4	175.6	-67.3	167.7	0	0	0	111	P158 R161 I162 L165 I182 L183 Q188 E189 M190	P158-I186 HydrophobicContact CB-CG2 4.16Å; R161-I186 HydrophobicContact CB-CD1 4.24Å; I162-I186 HydrophobicContact CD1-CG2 3.94Å; I162-I186 HydrophobicContact CG1-CD1 4.02Å; I162-I186 HydrophobicContact CG1-CG2 3.92Å; L165-I186 HydrophobicContact CD2-CD1 4.47Å; I182-I186 HydrophobicContact CG2-CD1 4.02Å; I182-I186 WeakPolarHBondContact O-CG1 3.43Å; I182-I186 PolarHBondContact O-N 3.01Å; L183-I186 PolarHBondContact O-N 2.96Å; I186-Q188 VanDerWaalsContact C-N 3.33Å; I186-Q188 PolarHBondContact O-N 3.28Å; I186-E189 PolarHBondContact O-N 2.98Å; I186-M190 HydrophobicContact CG2-CG 4.41Å; I186-M190 HydrophobicContact CG2-SD 4.13Å; I186-M190 WeakPolarHBondContact O-CG 3.31Å; I186-M190 PolarHBondContact O-N 3.4Å
187	S	58.9	Low	62.1	Low	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-39.7	178.5	72.4	0	0	0	0	112.1	L183 R184 N185 M190 V191 T259	L183-S187 WeakPolarHBondContact O-CB 3.38Å; L183-S187 PolarHBondContact O-N 3.19Å; L183-S187 PolarHBondContact O-OG 3.15Å; R184-S187 WeakPolarHBondContact CA-OG 3.32Å; R184-S187 PolarHBondContact O-N 2.99Å; R184-S187 PolarHBondContact O-OG 2.69Å; N185-S187 VanDerWaalsContact C-N 3.32Å; N185-S187 PolarHBondContact O-N 2.87Å; S187-M190 PolarHBondContact O-N 2.86Å; S187-V191 VanDerWaalsContact O-CG2 3.3Å; S187-V191 WeakPolarHBondContact O-CG2 3.38Å; S187-V191 PolarHBondContact O-N 2.93Å; S187-T259 VanDerWaalsContact OG-CG2 3.24Å; S187-T259 WeakPolarHBondContact OG-CG2 3.4Å
188	Q	65.3	Low	60.9	Low	86 Å²	86	60.1 Å²	60.1	40%	0.402	31%	0.312	S	S	.	.	H	α-helix	trans	-64.5	-44.5	175	-73.9	177.5	-19.8	0	0	111.4	R184 N185 I186 M190 V191 Q192 T259	R184-Q188 WeakPolarHBondContact O-CG 3.33Å; R184-Q188 PolarHBondContact O-N 3.41Å; N185-Q188 PolarHBondContact O-N 2.93Å; I186-Q188 VanDerWaalsContact C-N 3.33Å; I186-Q188 PolarHBondContact O-N 3.28Å; Q188-M190 VanDerWaalsContact C-N 3.33Å; Q188-M190 PolarHBondContact O-N 2.86Å; Q188-V191 PolarHBondContact O-N 3.49Å; Q188-Q192 VanDerWaalsContact O-CB 3.27Å; Q188-Q192 WeakPolarHBondContact O-CB 3.41Å; Q188-Q192 PolarHBondContact O-N 3.26Å; Q188-T259 HydrophobicContact CG-CG2 3.63Å
189	E	65.7	Low	59.5	Low	67 Å²	67	61 Å²	61	31%	0.313	32%	0.316	S	S	.	.	H	α-helix	trans	-62	-40.5	175.5	-72.1	-177.8	-147.4	0	0	112.1	R161 N185 I186 Q192 G193	R161-E189 IonicContact CZ-OE2 2.96Å; R161-E189 IonicContact NH1-OE1 2.88Å; R161-E189 PolarHBondContact NH1-OE1 2.91Å; R161-E189 IonicContact NH1-OE2 2.72Å; R161-E189 PolarHBondContact NH1-OE2 3.44Å; R161-E189 IonicContact NH2-OE2 3.74Å; R161-E189 PolarHBondContact NH2-OE2 3.17Å; N185-E189 PolarHBondContact ND2-OE1 3.25Å; N185-E189 WeakPolarHBondContact O-CG 3.38Å; N185-E189 PolarHBondContact O-N 3.24Å; I186-E189 PolarHBondContact O-N 2.98Å; E189-Q192 PolarHBondContact O-N 3.49Å; E189-G193 PolarHBondContact O-N 3.42Å
190	M	58.2	Low	58.5	Low	73 Å²	73	66.2 Å²	66.2	36%	0.36	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-44.5	175.9	-71.9	-179	71.5	0	0	111.6	P158 I186 S187 Q188 G193 V194	P158-M190 HydrophobicContact CB-CG 3.93Å; P158-M190 HydrophobicContact CB-SD 4.41Å; P158-M190 HydrophobicContact CG-CG 4.39Å; I186-M190 HydrophobicContact CG2-CG 4.41Å; I186-M190 HydrophobicContact CG2-SD 4.13Å; I186-M190 WeakPolarHBondContact O-CG 3.31Å; I186-M190 PolarHBondContact O-N 3.4Å; S187-M190 PolarHBondContact O-N 2.86Å; Q188-M190 VanDerWaalsContact C-N 3.33Å; Q188-M190 PolarHBondContact O-N 2.86Å; M190-G193 PolarHBondContact O-N 3.22Å; M190-V194 VanDerWaalsContact O-CG2 3.3Å; M190-V194 WeakPolarHBondContact O-CG2 3.31Å; M190-V194 PolarHBondContact O-N 2.9Å; M190-V194 VanDerWaalsContact O-N 3.11Å
191	V	55.5	Low	57.4	Low	15 Å²	15	64.9 Å²	64.9	9%	0.091	34%	0.338	C	S	.	.	H	α-helix	trans	-63.8	-43.7	176.2	170.6	0	0	0	0	110.6	S187 Q188 V194 I195 L255 L258	S187-V191 VanDerWaalsContact O-CG2 3.3Å; S187-V191 WeakPolarHBondContact O-CG2 3.38Å; S187-V191 PolarHBondContact O-N 2.93Å; Q188-V191 PolarHBondContact O-N 3.49Å; V191-V194 WeakPolarHBondContact O-CB 3.29Å; V191-V194 PolarHBondContact O-N 3.37Å; V191-I195 HydrophobicContact CG1-CD1 3.89Å; V191-I195 VanDerWaalsContact O-CG1 3.31Å; V191-I195 WeakPolarHBondContact O-CG1 3.28Å; V191-I195 PolarHBondContact O-N 2.86Å; V191-L255 HydrophobicContact CG1-CD2 4.12Å; V191-L258 HydrophobicContact CG1-CD2 4.24Å; V191-L258 HydrophobicContact CG2-CD2 4.17Å; V191-L258 HydrophobicContact CG2-CG 4.2Å
192	Q	58.1	Low	55.7	Low	87 Å²	87	62.7 Å²	62.7	41%	0.407	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-43	178.8	-174.9	61.4	19.9	0	0	111.8	Q188 E189 V194 I195 E196	Q188-Q192 VanDerWaalsContact O-CB 3.27Å; Q188-Q192 WeakPolarHBondContact O-CB 3.41Å; Q188-Q192 PolarHBondContact O-N 3.26Å; E189-Q192 PolarHBondContact O-N 3.49Å; Q192-V194 VanDerWaalsContact C-N 3.26Å; Q192-V194 PolarHBondContact O-N 2.85Å; Q192-I195 CarbonylContact O-C 3.24Å; Q192-I195 WeakPolarHBondContact O-CA 3.3Å; Q192-I195 WeakPolarHBondContact O-CB 3.49Å; Q192-I195 PolarHBondContact O-N 3.35Å; Q192-E196 HydrophobicContact CG-CG 4.33Å; Q192-E196 WeakPolarHBondContact CG-OE1 3.38Å; Q192-E196 PolarHBondContact NE2-OE1 2.82Å; Q192-E196 WeakPolarHBondContact O-CG 3.48Å; Q192-E196 PolarHBondContact O-N 3.48Å
193	G	53.5	Low	54.2	Low	42 Å²	42	63.3 Å²	63.3	43%	0.433	34%	0.335	S	S	.	.	H	α-helix	trans	-61.8	-34.8	175.2	0	0	0	0	0	112.7	E189 M190 G197	E189-G193 PolarHBondContact O-N 3.42Å; M190-G193 PolarHBondContact O-N 3.22Å; G193-G197 PolarHBondContact O-N 3.28Å
194	V	50.3	Low	53.2	Low	82 Å²	82	68.2 Å²	68.2	50%	0.497	36%	0.356	S	S	.	.	H	α-helix	trans	-65.7	-42.4	171.2	172.6	0	0	0	0	110.9	W82 M190 V191 Q192 S198	W82-V194 HydrophobicContact CH2-CG2 4.48Å; W82-V194 HydrophobicContact CZ3-CG2 4.14Å; M190-V194 VanDerWaalsContact O-CG2 3.3Å; M190-V194 WeakPolarHBondContact O-CG2 3.31Å; M190-V194 PolarHBondContact O-N 2.9Å; M190-V194 VanDerWaalsContact O-N 3.11Å; V191-V194 WeakPolarHBondContact O-CB 3.29Å; V191-V194 PolarHBondContact O-N 3.37Å; Q192-V194 VanDerWaalsContact C-N 3.26Å; Q192-V194 PolarHBondContact O-N 2.85Å; V194-S198 VanDerWaalsContact O-CB 3.22Å; V194-S198 WeakPolarHBondContact O-CB 3.47Å; V194-S198 PolarHBondContact O-N 3.45Å
195	I	49.2	Very low	51.4	Low	47 Å²	47	64 Å²	64	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-54.3	178.4	-67	165	0	0	0	110.7	V191 Q192 G197 S198 E199 L255	V191-I195 HydrophobicContact CG1-CD1 3.89Å; V191-I195 VanDerWaalsContact O-CG1 3.31Å; V191-I195 WeakPolarHBondContact O-CG1 3.28Å; V191-I195 PolarHBondContact O-N 2.86Å; Q192-I195 CarbonylContact O-C 3.24Å; Q192-I195 WeakPolarHBondContact O-CA 3.3Å; Q192-I195 WeakPolarHBondContact O-CB 3.49Å; Q192-I195 PolarHBondContact O-N 3.35Å; I195-G197 PolarHBondContact O-N 3.23Å; I195-S198 CarbonylContact O-C 3.58Å; I195-S198 WeakPolarHBondContact O-CA 3.33Å; I195-S198 WeakPolarHBondContact O-CB 3.5Å; I195-S198 PolarHBondContact O-N 2.91Å; I195-S198 PolarHBondContact O-OG 3.35Å; I195-E199 PolarHBondContact O-N 2.7Å; I195-L255 HydrophobicContact CD1-CD2 3.76Å
196	E	50	Low	49.7	Very low	111 Å²	111	65.3 Å²	65.3	52%	0.519	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-45.2	-178.8	-70.8	175.1	-174.9	0	0	111.6	Q192 S198 E199 E200	Q192-E196 HydrophobicContact CG-CG 4.33Å; Q192-E196 WeakPolarHBondContact CG-OE1 3.38Å; Q192-E196 PolarHBondContact NE2-OE1 2.82Å; Q192-E196 WeakPolarHBondContact O-CG 3.48Å; Q192-E196 PolarHBondContact O-N 3.48Å; E196-S198 PolarHBondContact O-N 2.88Å; E196-E199 PolarHBondContact O-N 3.24Å; E196-E199 VanDerWaalsContact O-N 3.13Å; E196-E200 PolarHBondContact O-N 2.91Å
197	G	47	Very low	48.7	Very low	27 Å²	27	70.5 Å²	70.5	28%	0.278	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-27.6	174.4	0	0	0	0	0	112.9	G193 I195 K201	G193-G197 PolarHBondContact O-N 3.28Å; I195-G197 PolarHBondContact O-N 3.23Å; G197-K201 WeakPolarHBondContact O-CB 3.27Å; G197-K201 WeakPolarHBondContact O-CD 3.45Å; G197-K201 VanDerWaalsContact O-CG 3.24Å; G197-K201 WeakPolarHBondContact O-CG 3.31Å; G197-K201 PolarHBondContact O-N 2.7Å
198	S	40.9	Very low	47.7	Very low	39 Å²	39	74.6 Å²	74.6	27%	0.273	39%	0.393	S	S	.	.	H	α-helix	trans	-76.5	-33	175.1	83.7	0	0	0	0	112.7	N86 V194 I195 E196 S202	N86-S198 PolarHBondContact ND2-O 2.75Å; V194-S198 VanDerWaalsContact O-CB 3.22Å; V194-S198 WeakPolarHBondContact O-CB 3.47Å; V194-S198 PolarHBondContact O-N 3.45Å; I195-S198 CarbonylContact O-C 3.58Å; I195-S198 WeakPolarHBondContact O-CA 3.33Å; I195-S198 WeakPolarHBondContact O-CB 3.5Å; I195-S198 PolarHBondContact O-N 2.91Å; I195-S198 PolarHBondContact O-OG 3.35Å; E196-S198 PolarHBondContact O-N 2.88Å; S198-S202 WeakPolarHBondContact O-CB 3.2Å; S198-S202 PolarHBondContact O-N 3.41Å; S198-S202 PolarHBondContact O-OG 2.85Å
199	E	43.3	Very low	46.3	Very low	121 Å²	121	72.6 Å²	72.6	57%	0.565	38%	0.384	S	S	*	.	H	α-helix	trans	-70.8	-45.6	178.8	-71.2	-174.1	169.7	0	0	111.8	I195 E196 K201 S202 S203	I195-E199 PolarHBondContact O-N 2.7Å; E196-E199 PolarHBondContact O-N 3.24Å; E196-E199 VanDerWaalsContact O-N 3.13Å; E199-K201 VanDerWaalsContact C-N 3.34Å; E199-K201 PolarHBondContact O-N 3.33Å; E199-S202 PolarHBondContact O-N 3.28Å; E199-S203 WeakPolarHBondContact O-CB 3.45Å; E199-S203 PolarHBondContact O-N 2.96Å; E199-S203 PolarHBondContact O-OG 2.96Å
200	E	45.6	Very low	45.2	Very low	113 Å²	113	75.6 Å²	75.6	53%	0.528	40%	0.398	S	S	.	.	H	α-helix	trans	-61.3	-45.3	176.9	-166.6	-162.9	156.2	0	0	110.8	E196 S203 K204	E196-E200 PolarHBondContact O-N 2.91Å; E200-S203 PolarHBondContact O-N 2.81Å; E200-K204 PolarHBondContact O-N 3.29Å; E200-K204 VanDerWaalsContact O-N 3.11Å; E200-K204 WeakPolarHBondContact OE1-CE 3.38Å; E200-K204 IonicContact OE1-NZ 3.12Å; E200-K204 PolarHBondContact OE1-NZ 3.21Å
201	K	39.8	Very low	44.5	Very low	105 Å²	105	77.1 Å²	77.1	46%	0.457	41%	0.405	S	S	.	.	H	α-helix	trans	-68.5	-36.3	177.8	-71.2	177.7	-178.8	174.2	0	112.3	W82 G197 E199 S203 F205	W82-K201 PolarHBondContact O-NZ 3.07Å; G197-K201 WeakPolarHBondContact O-CB 3.27Å; G197-K201 WeakPolarHBondContact O-CD 3.45Å; G197-K201 VanDerWaalsContact O-CG 3.24Å; G197-K201 WeakPolarHBondContact O-CG 3.31Å; G197-K201 PolarHBondContact O-N 2.7Å; E199-K201 VanDerWaalsContact C-N 3.34Å; E199-K201 PolarHBondContact O-N 3.33Å; K201-S203 VanDerWaalsContact C-N 3.33Å; K201-F205 VanDerWaalsContact O-CB 3.24Å; K201-F205 WeakPolarHBondContact O-CB 3.44Å; K201-F205 PolarHBondContact O-N 2.96Å
202	S	37.2	Very low	43.7	Very low	34 Å²	34	81 Å²	81	24%	0.238	43%	0.425	C	S	.	.	H	α-helix	trans	-65.3	-37.6	174.9	-64.6	0	0	0	0	112	N86 S198 E199 F205 L206	N86-S202 PolarHBondContact ND2-OG 3.42Å; S198-S202 WeakPolarHBondContact O-CB 3.2Å; S198-S202 PolarHBondContact O-N 3.41Å; S198-S202 PolarHBondContact O-OG 2.85Å; E199-S202 PolarHBondContact O-N 3.28Å; S202-F205 PolarHBondContact O-N 3.44Å; S202-L206 PolarHBondContact O-N 2.93Å
203	S	41.2	Very low	42.6	Very low	75 Å²	75	82.5 Å²	82.5	52%	0.524	43%	0.432	S	S	.	.	H	α-helix	trans	-65.4	-47.3	177.1	-57.4	0	0	0	0	111.1	E199 E200 K201 F205 L206 E207	E199-S203 WeakPolarHBondContact O-CB 3.45Å; E199-S203 PolarHBondContact O-N 2.96Å; E199-S203 PolarHBondContact O-OG 2.96Å; E200-S203 PolarHBondContact O-N 2.81Å; K201-S203 VanDerWaalsContact C-N 3.33Å; S203-F205 VanDerWaalsContact C-N 3.27Å; S203-F205 PolarHBondContact O-N 3.11Å; S203-L206 PolarHBondContact O-N 3.11Å; S203-E207 PolarHBondContact O-N 3.03Å
204	K	44	Very low	41.9	Very low	105 Å²	105	87.9 Å²	87.9	46%	0.457	45%	0.446	S	S	.	.	H	α-helix	trans	-59.4	-38.8	172.8	-71.4	177	-173.6	166.2	0	112.2	E200 E207 I208	E200-K204 PolarHBondContact O-N 3.29Å; E200-K204 VanDerWaalsContact O-N 3.11Å; E200-K204 WeakPolarHBondContact OE1-CE 3.38Å; E200-K204 IonicContact OE1-NZ 3.12Å; E200-K204 PolarHBondContact OE1-NZ 3.21Å; K204-E207 WeakPolarHBondContact O-CB 3.39Å; K204-E207 PolarHBondContact O-N 2.98Å; K204-I208 VanDerWaalsContact O-CG1 3.31Å; K204-I208 WeakPolarHBondContact O-CG1 3.37Å; K204-I208 PolarHBondContact O-N 3.07Å
205	F	32.7	Very low	41.2	Very low	34 Å²	34	88.5 Å²	88.5	15%	0.149	45%	0.45	C	S	.	.	H	α-helix	trans	-68.6	-39.3	178.9	-177.2	-92.4	0	0	0	112.7	Q87 K201 S202 S203 I208 I209	Q87-F205 HydrophobicContact CB-CE1 3.88Å; Q87-F205 HydrophobicContact CB-CE2 4.39Å; Q87-F205 HydrophobicContact CB-CZ 3.86Å; Q87-F205 HydrophobicContact CG-CD1 4.24Å; Q87-F205 HydrophobicContact CG-CE1 3.42Å; Q87-F205 VanDerWaalsContact CG-CE1 3.42Å; Q87-F205 HydrophobicContact CG-CZ 3.74Å; K201-F205 VanDerWaalsContact O-CB 3.24Å; K201-F205 WeakPolarHBondContact O-CB 3.44Å; K201-F205 PolarHBondContact O-N 2.96Å; S202-F205 PolarHBondContact O-N 3.44Å; S203-F205 VanDerWaalsContact C-N 3.27Å; S203-F205 PolarHBondContact O-N 3.11Å; F205-I208 PolarHBondContact O-N 3.41Å; F205-I209 HydrophobicContact CD1-CD1 4.06Å; F205-I209 HydrophobicContact CE1-CD1 3.18Å; F205-I209 HydrophobicContact CE1-CG1 3.88Å; F205-I209 HydrophobicContact CZ-CD1 3.55Å; F205-I209 HydrophobicContact CZ-CG1 3.95Å; F205-I209 PolarHBondContact O-N 3.31Å; F205-I209 VanDerWaalsContact O-N 3.09Å
206	L	39.2	Very low	40.5	Very low	104 Å²	104	89.9 Å²	89.9	55%	0.545	46%	0.46	S	S	.	.	H	α-helix	trans	-62.7	-41.9	172	-82.1	164.4	0	0	0	111.6	S202 S203 I208 I209 E210	S202-L206 PolarHBondContact O-N 2.93Å; S203-L206 PolarHBondContact O-N 3.11Å; L206-I208 VanDerWaalsContact C-N 3.33Å; L206-I208 PolarHBondContact O-N 3.5Å; L206-I209 PolarHBondContact O-N 3.34Å; L206-E210 PolarHBondContact O-N 3.24Å
207	E	46.6	Very low	39.7	Very low	113 Å²	113	90 Å²	90	53%	0.528	46%	0.464	S	S	.	.	H	α-helix	trans	-59.6	-42.2	175.8	-168.2	179.3	-175.7	0	0	111.8	S203 K204 E210 Q211	S203-E207 PolarHBondContact O-N 3.03Å; K204-E207 WeakPolarHBondContact O-CB 3.39Å; K204-E207 PolarHBondContact O-N 2.98Å; E207-E210 PolarHBondContact O-N 2.83Å; E207-Q211 WeakPolarHBondContact O-CG 3.24Å; E207-Q211 PolarHBondContact O-N 2.79Å
208	I	38.6	Very low	39.3	Very low	86 Å²	86	93.3 Å²	93.3	44%	0.441	48%	0.483	S	S	.	.	H	α-helix	trans	-64.7	-39.5	175.6	-67.9	165	0	0	0	111.8	K204 F205 L206 N212	K204-I208 VanDerWaalsContact O-CG1 3.31Å; K204-I208 WeakPolarHBondContact O-CG1 3.37Å; K204-I208 PolarHBondContact O-N 3.07Å; F205-I208 PolarHBondContact O-N 3.41Å; L206-I208 VanDerWaalsContact C-N 3.33Å; L206-I208 PolarHBondContact O-N 3.5Å; I208-N212 WeakPolarHBondContact CG2-ND2 3.36Å; I208-N212 WeakPolarHBondContact O-CB 3.44Å; I208-N212 PolarHBondContact O-N 3.1Å; I208-N212 PolarHBondContact O-ND2 2.83Å
209	I	36.6	Very low	39.2	Very low	45 Å²	45	99.4 Å²	99.4	23%	0.231	51%	0.507	C	S	.	.	H	α-helix	trans	-65.9	-44.7	176.6	-72.5	-176.7	0	0	0	111.3	F205 L206 Q211 N212 Q213	F205-I209 HydrophobicContact CD1-CD1 4.06Å; F205-I209 HydrophobicContact CE1-CD1 3.18Å; F205-I209 HydrophobicContact CE1-CG1 3.88Å; F205-I209 HydrophobicContact CZ-CD1 3.55Å; F205-I209 HydrophobicContact CZ-CG1 3.95Å; F205-I209 PolarHBondContact O-N 3.31Å; F205-I209 VanDerWaalsContact O-N 3.09Å; L206-I209 PolarHBondContact O-N 3.34Å; I209-Q211 VanDerWaalsContact C-N 3.31Å; I209-Q211 PolarHBondContact O-N 2.81Å; I209-N212 PolarHBondContact O-N 2.81Å; I209-Q213 HydrophobicContact CG2-CG 4.27Å; I209-Q213 WeakPolarHBondContact O-CB 3.42Å; I209-Q213 WeakPolarHBondContact O-CG 3.23Å; I209-Q213 PolarHBondContact O-N 3.41Å
210	E	41	Very low	39	Very low	129 Å²	129	100.9 Å²	100.9	60%	0.603	51%	0.514	S	S	*	.	H	α-helix	trans	-62.2	-40.7	179.3	-75.6	-176	171.3	0	0	111.5	L206 E207 Q213 Q214	L206-E210 PolarHBondContact O-N 3.24Å; E207-E210 PolarHBondContact O-N 2.83Å; E210-Q213 PolarHBondContact O-N 2.83Å; E210-Q214 PolarHBondContact O-N 3.47Å; E210-Q214 VanDerWaalsContact O-N 3.14Å
211	Q	43.3	Very low	38.7	Very low	106 Å²	106	103.6 Å²	103.6	50%	0.495	53%	0.527	S	S	.	.	H	α-helix	trans	-63.5	-45	173.8	-71.9	177.3	7.1	0	0	112.1	E207 I209 Q214 V215	E207-Q211 WeakPolarHBondContact O-CG 3.24Å; E207-Q211 PolarHBondContact O-N 2.79Å; I209-Q211 VanDerWaalsContact C-N 3.31Å; I209-Q211 PolarHBondContact O-N 2.81Å; Q211-Q214 PolarHBondContact O-N 2.66Å; Q211-V215 WeakPolarHBondContact O-CG2 3.41Å; Q211-V215 PolarHBondContact O-N 2.99Å
212	N	39.4	Very low	38.6	Very low	95 Å²	95	107 Å²	107	51%	0.508	55%	0.546	S	S	.	.	H	α-helix	trans	-71.2	-30.3	179.9	-73.3	-30.7	0	0	0	113.1	I208 I209 V215 T216	I208-N212 WeakPolarHBondContact CG2-ND2 3.36Å; I208-N212 WeakPolarHBondContact O-CB 3.44Å; I208-N212 PolarHBondContact O-N 3.1Å; I208-N212 PolarHBondContact O-ND2 2.83Å; I209-N212 PolarHBondContact O-N 2.81Å; N212-V215 PolarHBondContact O-N 3.14Å; N212-T216 PolarHBondContact O-N 3.42Å; N212-T216 VanDerWaalsContact O-N 3.13Å; N212-T216 PolarHBondContact O-OG1 3.11Å
213	Q	35.7	Very low	38.6	Very low	120 Å²	120	114.3 Å²	114.3	56%	0.561	57%	0.574	S	S	*	*	H	α-helix	trans	-70.4	-34.8	173.3	-78.7	-177.1	-2.6	0	0	112.5	I209 E210 T216 L217	I209-Q213 HydrophobicContact CG2-CG 4.27Å; I209-Q213 WeakPolarHBondContact O-CB 3.42Å; I209-Q213 WeakPolarHBondContact O-CG 3.23Å; I209-Q213 PolarHBondContact O-N 3.41Å; E210-Q213 PolarHBondContact O-N 2.83Å; Q213-T216 PolarHBondContact O-N 3.14Å; Q213-L217 WeakPolarHBondContact O-CG 3.22Å; Q213-L217 PolarHBondContact O-N 3.01Å
214	Q	37.9	Very low	38.3	Very low	154 Å²	154	116.4 Å²	116.4	72%	0.72	59%	0.588	S	S	*	*	H	α-helix	trans	-68.3	-33.1	173.1	-78	-179.1	-2.1	0	0	112.9	E210 Q211	E210-Q214 PolarHBondContact O-N 3.47Å; E210-Q214 VanDerWaalsContact O-N 3.14Å; Q211-Q214 PolarHBondContact O-N 2.66Å
215	V	35.7	Very low	37.7	Very low	96 Å²	96	119 Å²	119	58%	0.582	61%	0.607	S	S	*	*	H	α-helix	trans	-73.2	-33.8	177.2	175.5	0	0	0	0	111.9	Q211 N212	Q211-V215 WeakPolarHBondContact O-CG2 3.41Å; Q211-V215 PolarHBondContact O-N 2.99Å; N212-V215 PolarHBondContact O-N 3.14Å
216	T	35	Very low	37.9	Very low	76 Å²	76	124.7 Å²	124.7	47%	0.466	64%	0.637	S	S	.	*	H	α-helix	trans	-79.5	-32.4	-178	-37.9	0	0	0	0	112.8	N212 Q213 S218	N212-T216 PolarHBondContact O-N 3.42Å; N212-T216 VanDerWaalsContact O-N 3.13Å; N212-T216 PolarHBondContact O-OG1 3.11Å; Q213-T216 PolarHBondContact O-N 3.14Å; T216-S218 VanDerWaalsContact C-N 3.32Å; T216-S218 PolarHBondContact O-N 3.3Å
217	L	33.8	Very low	37.8	Very low	113 Å²	113	127.3 Å²	127.3	59%	0.592	65%	0.651	S	S	*	*	H	α-helix	trans	-73.5	-21.3	178.4	-70.3	170.2	0	0	0	113.5	Q213	Q213-L217 WeakPolarHBondContact O-CG 3.22Å; Q213-L217 PolarHBondContact O-N 3.01Å
218	S	37.7	Very low	37	Very low	97 Å²	97	130.6 Å²	130.6	68%	0.678	67%	0.667	S	S	*	*	H	α-helix	trans	-77.4	-21.2	178.9	-178.2	0	0	0	0	114.2	T216	T216-S218 VanDerWaalsContact C-N 3.32Å; T216-S218 PolarHBondContact O-N 3.3Å
219	E	38.9	Very low	36.8	Very low	166 Å²	166	131.8 Å²	131.8	78%	0.776	68%	0.683	S	S	*	*	H	α-helix	trans	-103.2	-22.1	-175.9	-75.3	-170.5	152.6	0	0	113.8
220	E	39.7	Very low	36.4	Very low	152 Å²	152	134.8 Å²	134.8	71%	0.71	71%	0.708	S	S	*	*	H	α-helix	trans	-93.9	-12.6	-176.3	-72.4	-171.6	151	0	0	115.1	M222	E220-M222 VanDerWaalsContact C-N 3.26Å; E220-M222 PolarHBondContact O-N 3.09Å
221	E	39.5	Very low	36.1	Very low	171 Å²	171	136.4 Å²	136.4	80%	0.799	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	1.7	-178.3	-80.6	-168	150.4	0	0	115.7
222	M	37.4	Very low	35.4	Very low	176 Å²	176	137.7 Å²	137.7	87%	0.867	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-5.1	-178	-74	-161.2	177.6	0	0	116.3	E220	E220-M222 VanDerWaalsContact C-N 3.26Å; E220-M222 PolarHBondContact O-N 3.09Å
223	K	36.6	Very low	35	Very low	188 Å²	188	141.5 Å²	141.5	82%	0.817	75%	0.75	S	S	*	*	S	Bend	trans	-151.5	78.3	-172.5	-65.3	-179.5	-175.3	167.6	0	114.3
224	S	35.2	Very low	34.6	Very low	118 Å²	118	145 Å²	145	83%	0.825	77%	0.767	S	S	*	*			trans	172	82.1	136.7	46.8	0	0	0	0	112.3
225	N	31.4	Very low	34.2	Very low	159 Å²	159	143.9 Å²	143.9	85%	0.85	77%	0.766	S	S	*	*			trans	-64	123.6	138.1	-73.2	-36.7	0	0	0	106.4
226	I	36.5	Very low	33.9	Very low	154 Å²	154	144.7 Å²	144.7	79%	0.79	77%	0.771	S	S	*	*			trans	157.4	116.8	142.4	-79.7	154.8	0	0	0	111.6
227	L	37.8	Very low	33.5	Very low	160 Å²	160	152.2 Å²	152.2	84%	0.838	79%	0.791	S	S	*	*			trans	87.9	111.3	150.4	-107.4	80.2	0	0	0	121.9
228	E	29.6	Very low	33.3	Very low	182 Å²	182	155.4 Å²	155.4	85%	0.85	80%	0.802	S	S	*	*			trans	-40.1	140.6	156.5	-62.3	165.1	143.3	0	0	115.2
229	S	34	Very low	32.8	Very low	111 Å²	111	157.1 Å²	157.1	78%	0.776	80%	0.804	S	S	*	*				-151.9	116.3	128.1	55.2	0	0	0	0	110.4
230	S	28.3	Very low	32.5	Very low	108 Å²	108	153.4 Å²	153.4	76%	0.755	80%	0.796	S	S	*	*			trans	-52.5	124.3	168.7	49.9	0	0	0	0	112.3
231	N	35	Very low	32.3	Very low	162 Å²	162	152 Å²	152	87%	0.866	80%	0.798	S	S	*	*			trans	-134.7	104.1	153.2	-88.6	-31.9	0	0	0	108.8	E233	N231-E233 PolarHBondContact O-N 3.35Å
232	T	28.7	Very low	32.2	Very low	133 Å²	133	146.5 Å²	146.5	82%	0.816	77%	0.774	S	S	*	*			trans	-65.2	109.2	167.5	39.2	0	0	0	0	110.8
233	E	30.7	Very low	32.2	Very low	175 Å²	175	142.4 Å²	142.4	82%	0.818	76%	0.756	S	S	*	*			trans	-133.4	88.7	147.4	-85.2	-165.9	165.5	0	0	109.3	N231 N235	N231-E233 PolarHBondContact O-N 3.35Å; E233-N235 VanDerWaalsContact C-N 3.27Å; E233-N235 PolarHBondContact O-N 2.91Å
234	Q	27.4	Very low	32.2	Very low	195 Å²	195	139.5 Å²	139.5	91%	0.911	75%	0.745	S	S	*	*			trans	-63.8	89.9	154.4	-74.5	177.1	-47.5	0	0	108.2
235	N	30	Very low	32.3	Very low	130 Å²	130	139.1 Å²	139.1	70%	0.695	73%	0.733	S	S	*	*			trans	-110.2	87.8	162	-113.6	-27.1	0	0	0	109.3	E233 R237	E233-N235 VanDerWaalsContact C-N 3.27Å; E233-N235 PolarHBondContact O-N 2.91Å; N235-R237 PolarHBondContact O-N 3.47Å
236	T	29	Very low	32.7	Very low	112 Å²	112	133.4 Å²	133.4	69%	0.687	71%	0.706	S	S	*	*			trans	5.5	102.2	157	35	0	0	0	0	116.5	Q238	T236-Q238 VanDerWaalsContact C-N 3.26Å; T236-Q238 PolarHBondContact O-N 2.9Å
237	R	26.8	Very low	32.7	Very low	234 Å²	234	128 Å²	128	88%	0.883	68%	0.684	S	S	*	*			trans	-49.8	87.9	148.1	-71.4	174.4	170.6	172.8	-4.3	109.8	N235 N239	N235-R237 PolarHBondContact O-N 3.47Å; R237-N239 PolarHBondContact O-N 3.45Å
238	Q	28.8	Very low	32.8	Very low	180 Å²	180	126.4 Å²	126.4	84%	0.841	67%	0.67	S	S	*	*			trans	-88.1	90.1	159.7	-77.4	-161.3	-16.6	0	0	108.7	T236 S240	T236-Q238 VanDerWaalsContact C-N 3.26Å; T236-Q238 PolarHBondContact O-N 2.9Å; Q238-S240 PolarHBondContact O-N 3.23Å
239	N	26.6	Very low	33.5	Very low	134 Å²	134	122.8 Å²	122.8	72%	0.717	65%	0.653	S	S	*	*			trans	-53.5	97.6	164.7	-65.7	-26.7	0	0	0	110.3	R237 V241	R237-N239 PolarHBondContact O-N 3.45Å; N239-V241 VanDerWaalsContact C-N 3.34Å; N239-V241 HydrophobicContact CB-CG2 4.31Å
240	S	33.2	Very low	33.9	Very low	87 Å²	87	122 Å²	122	61%	0.608	64%	0.64	S	S	*	*			trans	-93.4	78.9	150.5	77.3	0	0	0	0	107.2	Q238 L242	Q238-S240 PolarHBondContact O-N 3.23Å; S240-L242 PolarHBondContact O-N 3.36Å
241	V	34.6	Very low	34.6	Very low	124 Å²	124	118.6 Å²	118.6	75%	0.752	62%	0.618	S	S	*	*			trans	-64.4	107.5	166.9	176.8	0	0	0	0	105.2	N239 N243	N239-V241 VanDerWaalsContact C-N 3.34Å; N239-V241 HydrophobicContact CB-CG2 4.31Å; V241-N243 PolarHBondContact O-N 2.93Å; V241-N243 VanDerWaalsContact O-N 3.12Å
242	L	37.9	Very low	35.1	Very low	55 Å²	55	116.8 Å²	116.8	29%	0.288	61%	0.605	S	S	.	*			trans	-57.8	119.9	161.2	-102.3	154.7	0	0	0	105.4	S240 E244 L250	S240-L242 PolarHBondContact O-N 3.36Å; L242-E244 PolarHBondContact O-N 3.45Å; L242-L250 HydrophobicContact CD1-CD1 4.14Å; L242-L250 HydrophobicContact CD2-CD1 4.15Å
243	N	37.3	Very low	35.9	Very low	90 Å²	90	116 Å²	116	48%	0.481	60%	0.595	S	S	.	*			trans	-47.9	137.3	170.9	177.7	1.5	0	0	0	107.7	V241 L245 S246 A247	V241-N243 PolarHBondContact O-N 2.93Å; V241-N243 VanDerWaalsContact O-N 3.12Å; N243-L245 PolarHBondContact O-N 2.98Å; N243-L245 VanDerWaalsContact O-N 3.1Å; N243-L245 PolarHBondContact OD1-N 3.21Å; N243-S246 WeakPolarHBondContact O-CA 3.46Å; N243-S246 PolarHBondContact O-N 2.81Å; N243-A247 PolarHBondContact O-N 3.4Å
244	E	37	Very low	36.6	Very low	127 Å²	127	110.9 Å²	110.9	59%	0.593	57%	0.57	S	S	*	*	H	α-helix	trans	-48.9	-37.7	178.8	-168.2	-172.3	149.4	0	0	111.7	L242 A247 K248	L242-E244 PolarHBondContact O-N 3.45Å; E244-A247 PolarHBondContact O-N 3.46Å; E244-K248 HydrophobicContact CG-CD 4.35Å; E244-K248 WeakPolarHBondContact O-CB 3.38Å; E244-K248 WeakPolarHBondContact O-CG 3.27Å; E244-K248 PolarHBondContact O-N 3.29Å; E244-K248 WeakPolarHBondContact OE1-CE 3.35Å; E244-K248 IonicContact OE1-NZ 2.69Å; E244-K248 PolarHBondContact OE1-NZ 3.23Å
245	L	37.4	Very low	37.6	Very low	109 Å²	109	104.7 Å²	104.7	57%	0.571	54%	0.543	S	S	*	.	H	α-helix	trans	-56.5	-51.5	171.9	-90.2	154	0	0	0	112.6	N243 A247 K248 E249	N243-L245 PolarHBondContact O-N 2.98Å; N243-L245 VanDerWaalsContact O-N 3.1Å; N243-L245 PolarHBondContact OD1-N 3.21Å; L245-A247 VanDerWaalsContact C-N 3.31Å; L245-A247 PolarHBondContact O-N 3.36Å; L245-K248 PolarHBondContact O-N 2.97Å; L245-E249 WeakPolarHBondContact O-CG 3.45Å; L245-E249 PolarHBondContact O-N 2.83Å
246	S	40.6	Very low	38.6	Very low	40 Å²	40	101.7 Å²	101.7	28%	0.28	53%	0.527	S	S	.	.	H	α-helix	trans	-69.1	-29.2	-179.7	-53.6	0	0	0	0	112.8	N243 L250	N243-S246 WeakPolarHBondContact O-CA 3.46Å; N243-S246 PolarHBondContact O-N 2.81Å; S246-L250 VanDerWaalsContact O-CB 3.31Å; S246-L250 WeakPolarHBondContact O-CB 3.46Å; S246-L250 WeakPolarHBondContact O-CD1 3.31Å; S246-L250 VanDerWaalsContact O-CG 3.22Å; S246-L250 WeakPolarHBondContact O-CG 3.42Å; S246-L250 PolarHBondContact O-N 3.43Å; S246-L250 VanDerWaalsContact O-N 3.08Å
247	A	35.2	Very low	39.6	Very low	41 Å²	41	100 Å²	100	34%	0.339	51%	0.514	S	S	.	.	H	α-helix	trans	-70	-40.9	172.5	0	0	0	0	0	111.6	N243 E244 L245 A251	N243-A247 PolarHBondContact O-N 3.4Å; E244-A247 PolarHBondContact O-N 3.46Å; L245-A247 VanDerWaalsContact C-N 3.31Å; L245-A247 PolarHBondContact O-N 3.36Å; A247-A251 WeakPolarHBondContact O-CB 3.32Å; A247-A251 PolarHBondContact O-N 2.9Å
248	K	40.4	Very low	40.6	Very low	125 Å²	125	91.3 Å²	91.3	54%	0.543	48%	0.484	S	S	.	.	H	α-helix	trans	-64.1	-47.9	174.3	-77.7	173.5	169.3	168.5	0	111.7	E244 L245 L250 A251 E252	E244-K248 HydrophobicContact CG-CD 4.35Å; E244-K248 WeakPolarHBondContact O-CB 3.38Å; E244-K248 WeakPolarHBondContact O-CG 3.27Å; E244-K248 PolarHBondContact O-N 3.29Å; E244-K248 WeakPolarHBondContact OE1-CE 3.35Å; E244-K248 IonicContact OE1-NZ 2.69Å; E244-K248 PolarHBondContact OE1-NZ 3.23Å; L245-K248 PolarHBondContact O-N 2.97Å; K248-L250 VanDerWaalsContact C-N 3.34Å; K248-L250 PolarHBondContact O-N 3.5Å; K248-A251 PolarHBondContact O-N 2.97Å; K248-E252 WeakPolarHBondContact O-CB 3.33Å; K248-E252 PolarHBondContact O-N 3.45Å
249	E	45.5	Very low	41.7	Very low	106 Å²	106	83.2 Å²	83.2	50%	0.495	45%	0.447	S	S	.	.	H	α-helix	trans	-59.5	-42.6	176	-73.2	171.4	171.5	0	0	112	L245 E252 L253	L245-E249 WeakPolarHBondContact O-CG 3.45Å; L245-E249 PolarHBondContact O-N 2.83Å; E249-E252 PolarHBondContact O-N 3.19Å; E249-L253 WeakPolarHBondContact O-CB 3.48Å; E249-L253 VanDerWaalsContact O-CG 3.28Å; E249-L253 WeakPolarHBondContact O-CG 3.47Å; E249-L253 PolarHBondContact O-N 3.03Å
250	L	41.6	Very low	42.8	Very low	95 Å²	95	80.3 Å²	80.3	50%	0.497	43%	0.432	S	S	.	.	H	α-helix	trans	-66.2	-38	176.4	-79.6	170.3	0	0	0	112.7	L242 S246 K248 F254	L242-L250 HydrophobicContact CD1-CD1 4.14Å; L242-L250 HydrophobicContact CD2-CD1 4.15Å; S246-L250 VanDerWaalsContact O-CB 3.31Å; S246-L250 WeakPolarHBondContact O-CB 3.46Å; S246-L250 WeakPolarHBondContact O-CD1 3.31Å; S246-L250 VanDerWaalsContact O-CG 3.22Å; S246-L250 WeakPolarHBondContact O-CG 3.42Å; S246-L250 PolarHBondContact O-N 3.43Å; S246-L250 VanDerWaalsContact O-N 3.08Å; K248-L250 VanDerWaalsContact C-N 3.34Å; K248-L250 PolarHBondContact O-N 3.5Å; L250-F254 WeakPolarHBondContact O-CB 3.28Å; L250-F254 PolarHBondContact O-N 3.25Å
251	A	42.6	Very low	43.5	Very low	37 Å²	37	79.8 Å²	79.8	31%	0.306	42%	0.422	S	S	.	.	H	α-helix	trans	-66.9	-43.7	175.9	0	0	0	0	0	111	A247 K248 F254 L255	A247-A251 WeakPolarHBondContact O-CB 3.32Å; A247-A251 PolarHBondContact O-N 2.9Å; K248-A251 PolarHBondContact O-N 2.97Å; A251-F254 PolarHBondContact O-N 3.5Å; A251-L255 WeakPolarHBondContact O-CG 3.45Å; A251-L255 PolarHBondContact O-N 3.43Å
252	E	46.7	Very low	44.2	Very low	124 Å²	124	75.8 Å²	75.8	58%	0.579	40%	0.398	S	S	*	.	H	α-helix	trans	-62.8	-46.3	176.7	-172	176.3	-176.9	0	0	111.7	K248 E249 F254 L255 N256	K248-E252 WeakPolarHBondContact O-CB 3.33Å; K248-E252 PolarHBondContact O-N 3.45Å; E249-E252 PolarHBondContact O-N 3.19Å; E252-F254 VanDerWaalsContact C-N 3.28Å; E252-F254 PolarHBondContact O-N 3.13Å; E252-L255 PolarHBondContact O-N 2.98Å; E252-N256 WeakPolarHBondContact O-CB 3.41Å; E252-N256 VanDerWaalsContact O-CG 3.24Å; E252-N256 PolarHBondContact O-N 2.84Å; E252-N256 PolarHBondContact O-ND2 3.33Å
253	L	45	Very low	44.7	Very low	116 Å²	116	73.6 Å²	73.6	61%	0.607	39%	0.387	S	S	*	.	H	α-helix	trans	-59	-39.4	173.9	-75.5	171.4	0	0	0	112.4	E249 D257	E249-L253 WeakPolarHBondContact O-CB 3.48Å; E249-L253 VanDerWaalsContact O-CG 3.28Å; E249-L253 WeakPolarHBondContact O-CG 3.47Å; E249-L253 PolarHBondContact O-N 3.03Å; L253-D257 WeakPolarHBondContact O-CB 3.34Å; L253-D257 PolarHBondContact O-N 3.21Å
254	F	45.1	Very low	45.2	Very low	67 Å²	67	72.9 Å²	72.9	29%	0.294	39%	0.386	S	S	.	.	H	α-helix	trans	-68.5	-43.1	177.4	175.2	-97	0	0	0	112.4	L250 A251 E252 N256 D257 L258	L250-F254 WeakPolarHBondContact O-CB 3.28Å; L250-F254 PolarHBondContact O-N 3.25Å; A251-F254 PolarHBondContact O-N 3.5Å; E252-F254 VanDerWaalsContact C-N 3.28Å; E252-F254 PolarHBondContact O-N 3.13Å; F254-N256 VanDerWaalsContact C-N 3.32Å; F254-D257 PolarHBondContact O-N 3.15Å; F254-L258 HydrophobicContact CE1-CD2 4.48Å; F254-L258 WeakPolarHBondContact O-CB 3.46Å; F254-L258 PolarHBondContact O-N 2.98Å
255	L	49.4	Very low	45.9	Very low	65 Å²	65	73.7 Å²	73.7	34%	0.34	39%	0.385	S	S	.	.	H	α-helix	trans	-64.4	-40.1	177.2	-72.4	173.4	0	0	0	111.3	V191 I195 A251 E252 L258 T259	V191-L255 HydrophobicContact CG1-CD2 4.12Å; I195-L255 HydrophobicContact CD1-CD2 3.76Å; A251-L255 WeakPolarHBondContact O-CG 3.45Å; A251-L255 PolarHBondContact O-N 3.43Å; E252-L255 PolarHBondContact O-N 2.98Å; L255-L258 PolarHBondContact O-N 3.46Å; L255-T259 WeakPolarHBondContact O-CB 3.49Å; L255-T259 PolarHBondContact O-N 2.98Å; L255-T259 PolarHBondContact O-OG1 3.38Å
256	N	50.7	Low	46.5	Very low	67 Å²	67	69.2 Å²	69.2	36%	0.358	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-48.9	173.7	-71.2	-27.9	0	0	0	111.1	E252 F254 L258 T259 D260	E252-N256 WeakPolarHBondContact O-CB 3.41Å; E252-N256 VanDerWaalsContact O-CG 3.24Å; E252-N256 PolarHBondContact O-N 2.84Å; E252-N256 PolarHBondContact O-ND2 3.33Å; F254-N256 VanDerWaalsContact C-N 3.32Å; N256-L258 PolarHBondContact O-N 3.36Å; N256-T259 PolarHBondContact O-N 2.66Å; N256-D260 WeakPolarHBondContact O-CB 3.39Å; N256-D260 PolarHBondContact O-N 3.4Å
257	D	49.2	Very low	47	Very low	78 Å²	78	70 Å²	70	42%	0.417	36%	0.36	S	S	.	.	H	α-helix	trans	-60.5	-42	177.1	-175	45.1	0	0	0	112	L253 F254 D260 N261	L253-D257 WeakPolarHBondContact O-CB 3.34Å; L253-D257 PolarHBondContact O-N 3.21Å; F254-D257 PolarHBondContact O-N 3.15Å; D257-D260 PolarHBondContact O-N 3.05Å; D257-N261 WeakPolarHBondContact O-CB 3.45Å; D257-N261 VanDerWaalsContact O-CG 3.26Å; D257-N261 PolarHBondContact O-N 2.99Å; D257-N261 PolarHBondContact O-ND2 3.05Å; D257-N261 PolarHBondContact OD1-ND2 3.43Å
258	L	47.4	Very low	47.7	Very low	50 Å²	50	72.5 Å²	72.5	26%	0.262	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-45.7	175.9	-178.4	63.2	0	0	0	111.6	V191 F254 L255 N256 N261 V262	V191-L258 HydrophobicContact CG1-CD2 4.24Å; V191-L258 HydrophobicContact CG2-CD2 4.17Å; V191-L258 HydrophobicContact CG2-CG 4.2Å; F254-L258 HydrophobicContact CE1-CD2 4.48Å; F254-L258 WeakPolarHBondContact O-CB 3.46Å; F254-L258 PolarHBondContact O-N 2.98Å; L255-L258 PolarHBondContact O-N 3.46Å; N256-L258 PolarHBondContact O-N 3.36Å; L258-N261 PolarHBondContact O-N 3.23Å; L258-V262 VanDerWaalsContact O-CG2 3.31Å; L258-V262 WeakPolarHBondContact O-CG2 3.37Å; L258-V262 PolarHBondContact O-N 3.24Å
259	T	51.5	Low	48.3	Very low	10 Å²	10	69 Å²	69	6%	0.061	36%	0.355	C	S	.	.	H	α-helix	trans	-61.9	-45.5	178.1	-56.2	0	0	0	0	110.7	S187 Q188 L255 N256 N261 V262 S263	S187-T259 VanDerWaalsContact OG-CG2 3.24Å; S187-T259 WeakPolarHBondContact OG-CG2 3.4Å; Q188-T259 HydrophobicContact CG-CG2 3.63Å; L255-T259 WeakPolarHBondContact O-CB 3.49Å; L255-T259 PolarHBondContact O-N 2.98Å; L255-T259 PolarHBondContact O-OG1 3.38Å; N256-T259 PolarHBondContact O-N 2.66Å; T259-N261 PolarHBondContact O-N 3.47Å; T259-V262 PolarHBondContact O-N 2.98Å; T259-S263 WeakPolarHBondContact O-CB 3.49Å; T259-S263 PolarHBondContact O-N 3.35Å
260	D	50.7	Low	48.5	Very low	73 Å²	73	64.2 Å²	64.2	39%	0.39	33%	0.333	S	S	.	.	H	α-helix	trans	-63.4	-42.5	178.5	-70.2	-13.8	0	0	0	111	N256 D257 V262 S263 V264	N256-D260 WeakPolarHBondContact O-CB 3.39Å; N256-D260 PolarHBondContact O-N 3.4Å; D257-D260 PolarHBondContact O-N 3.05Å; D260-V262 PolarHBondContact O-N 2.87Å; D260-S263 PolarHBondContact O-N 2.91Å; D260-V264 VanDerWaalsContact O-CG2 3.31Å; D260-V264 WeakPolarHBondContact O-CG2 3.41Å; D260-V264 PolarHBondContact O-N 3.21Å
261	N	49	Very low	49	Very low	77 Å²	77	63.1 Å²	63.1	41%	0.412	33%	0.327	S	S	.	.	H	α-helix	trans	-64	-40.4	175.8	-75.6	-55.1	0	0	0	112.5	D257 L258 T259 Y265	D257-N261 WeakPolarHBondContact O-CB 3.45Å; D257-N261 VanDerWaalsContact O-CG 3.26Å; D257-N261 PolarHBondContact O-N 2.99Å; D257-N261 PolarHBondContact O-ND2 3.05Å; D257-N261 PolarHBondContact OD1-ND2 3.43Å; L258-N261 PolarHBondContact O-N 3.23Å; T259-N261 PolarHBondContact O-N 3.47Å; N261-Y265 WeakPolarHBondContact O-CB 3.45Å; N261-Y265 PolarHBondContact O-N 2.69Å; N261-Y265 VanDerWaalsContact O-N 3.07Å
262	V	48.8	Very low	49.4	Very low	39 Å²	39	63.2 Å²	63.2	24%	0.236	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-42.5	174.3	173.4	0	0	0	0	110.2	L258 T259 D260 Y265 L266	L258-V262 VanDerWaalsContact O-CG2 3.31Å; L258-V262 WeakPolarHBondContact O-CG2 3.37Å; L258-V262 PolarHBondContact O-N 3.24Å; T259-V262 PolarHBondContact O-N 2.98Å; D260-V262 PolarHBondContact O-N 2.87Å; V262-Y265 PolarHBondContact O-N 2.72Å; V262-L266 HydrophobicContact CG1-CD1 4.08Å; V262-L266 HydrophobicContact CG1-CG 4.42Å; V262-L266 VanDerWaalsContact O-CG 3.29Å; V262-L266 WeakPolarHBondContact O-CG 3.43Å; V262-L266 PolarHBondContact O-N 3.02Å
263	S	47.4	Very low	49.5	Very low	10 Å²	10	59.9 Å²	59.9	7%	0.07	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-48.2	177.8	-166.4	0	0	0	0	111.8	T259 D260 Y265 L266 E267	T259-S263 WeakPolarHBondContact O-CB 3.49Å; T259-S263 PolarHBondContact O-N 3.35Å; D260-S263 PolarHBondContact O-N 2.91Å; S263-Y265 VanDerWaalsContact C-N 3.3Å; S263-Y265 PolarHBondContact O-N 2.96Å; S263-L266 PolarHBondContact O-N 3.17Å; S263-L266 VanDerWaalsContact O-N 3.14Å; S263-E267 WeakPolarHBondContact O-CG 3.33Å; S263-E267 PolarHBondContact O-N 3.36Å
264	V	48.8	Very low	49.7	Very low	75 Å²	75	56.8 Å²	56.8	46%	0.455	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-42.1	176.8	171.1	0	0	0	0	110.8	D260 L266 E267 D268	D260-V264 VanDerWaalsContact O-CG2 3.31Å; D260-V264 WeakPolarHBondContact O-CG2 3.41Å; D260-V264 PolarHBondContact O-N 3.21Å; V264-L266 VanDerWaalsContact C-N 3.31Å; V264-L266 PolarHBondContact O-N 2.94Å; V264-E267 PolarHBondContact O-N 3.39Å; V264-D268 WeakPolarHBondContact O-CB 3.44Å; V264-D268 VanDerWaalsContact O-CG 3.32Å; V264-D268 PolarHBondContact O-N 3.48Å
265	Y	51.8	Low	50	Low	144 Å²	144	59.8 Å²	59.8	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-64.1	-36.5	176.9	-174.6	-103.7	0	0	0	112.5	N261 V262 S263 I269	N261-Y265 WeakPolarHBondContact O-CB 3.45Å; N261-Y265 PolarHBondContact O-N 2.69Å; N261-Y265 VanDerWaalsContact O-N 3.07Å; V262-Y265 PolarHBondContact O-N 2.72Å; S263-Y265 VanDerWaalsContact C-N 3.3Å; S263-Y265 PolarHBondContact O-N 2.96Å; Y265-I269 HydrophobicContact CD1-CD1 3.71Å; Y265-I269 HydrophobicContact CE1-CD1 3.37Å; Y265-I269 HydrophobicContact CE1-CG1 4.33Å; Y265-I269 VanDerWaalsContact O-CG1 3.28Å; Y265-I269 WeakPolarHBondContact O-CG1 3.36Å; Y265-I269 PolarHBondContact O-N 2.88Å; Y265-I269 VanDerWaalsContact O-N 3.11Å
266	L	48.9	Very low	49.8	Very low	14 Å²	14	59.8 Å²	59.8	7%	0.073	31%	0.306	C	S	.	.	H	α-helix	trans	-71.4	-37.7	174.6	-68.9	174.9	0	0	0	112.5	I162 L183 V262 S263 V264 I269 L270	I162-L266 HydrophobicContact CD1-CD1 4.35Å; I162-L266 HydrophobicContact CD1-CD2 3.7Å; L183-L266 HydrophobicContact CD2-CB 3.99Å; L183-L266 HydrophobicContact CD2-CD1 4.33Å; V262-L266 HydrophobicContact CG1-CD1 4.08Å; V262-L266 HydrophobicContact CG1-CG 4.42Å; V262-L266 VanDerWaalsContact O-CG 3.29Å; V262-L266 WeakPolarHBondContact O-CG 3.43Å; V262-L266 PolarHBondContact O-N 3.02Å; S263-L266 PolarHBondContact O-N 3.17Å; S263-L266 VanDerWaalsContact O-N 3.14Å; V264-L266 VanDerWaalsContact C-N 3.31Å; V264-L266 PolarHBondContact O-N 2.94Å; L266-I269 HydrophobicContact CD2-CD1 4.49Å; L266-I269 PolarHBondContact O-N 3.12Å; L266-L270 PolarHBondContact O-N 3.23Å
267	E	52.1	Low	49.6	Very low	57 Å²	57	60.7 Å²	60.7	27%	0.266	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-45.5	172.5	-74.1	177	-174.2	0	0	110.8	L183 S263 V264 I269 L270 D271	L183-E267 HydrophobicContact CD1-CG 3.62Å; S263-E267 WeakPolarHBondContact O-CG 3.33Å; S263-E267 PolarHBondContact O-N 3.36Å; V264-E267 PolarHBondContact O-N 3.39Å; E267-I269 VanDerWaalsContact C-N 3.34Å; E267-I269 PolarHBondContact O-N 3.08Å; E267-L270 WeakPolarHBondContact O-CB 3.17Å; E267-L270 PolarHBondContact O-N 3.5Å; E267-L270 VanDerWaalsContact O-N 3.14Å; E267-D271 PolarHBondContact O-N 3.35Å
268	D	49.6	Very low	49.5	Very low	93 Å²	93	63.6 Å²	63.6	50%	0.497	33%	0.327	S	S	.	.	H	α-helix	trans	-59.9	-42.7	176.1	-74.5	-18.9	0	0	0	111.6	V264 L270 D271 E272	V264-D268 WeakPolarHBondContact O-CB 3.44Å; V264-D268 VanDerWaalsContact O-CG 3.32Å; V264-D268 PolarHBondContact O-N 3.48Å; D268-L270 VanDerWaalsContact C-N 3.34Å; D268-D271 PolarHBondContact O-N 3.09Å; D268-E272 WeakPolarHBondContact O-CB 3.3Å; D268-E272 PolarHBondContact O-N 2.93Å
269	I	52.4	Low	49.3	Very low	53 Å²	53	68.4 Å²	68.4	27%	0.272	35%	0.352	S	S	.	.	H	α-helix	trans	-61.8	-43.3	175.1	-72.3	165.3	0	0	0	110.8	Y265 L266 E267 E272 L273	Y265-I269 HydrophobicContact CD1-CD1 3.71Å; Y265-I269 HydrophobicContact CE1-CD1 3.37Å; Y265-I269 HydrophobicContact CE1-CG1 4.33Å; Y265-I269 VanDerWaalsContact O-CG1 3.28Å; Y265-I269 WeakPolarHBondContact O-CG1 3.36Å; Y265-I269 PolarHBondContact O-N 2.88Å; Y265-I269 VanDerWaalsContact O-N 3.11Å; L266-I269 HydrophobicContact CD2-CD1 4.49Å; L266-I269 PolarHBondContact O-N 3.12Å; E267-I269 VanDerWaalsContact C-N 3.34Å; E267-I269 PolarHBondContact O-N 3.08Å; I269-E272 PolarHBondContact O-N 3.44Å; I269-L273 HydrophobicContact CG2-CD1 3.77Å; I269-L273 HydrophobicContact CG2-CG 4.32Å; I269-L273 WeakPolarHBondContact O-CB 3.31Å; I269-L273 WeakPolarHBondContact O-CG 3.46Å; I269-L273 PolarHBondContact O-N 3.15Å
270	L	49.8	Very low	48.6	Very low	5 Å²	5	74.5 Å²	74.5	3%	0.026	39%	0.385	C	S	.	.	H	α-helix	trans	-64.3	-47	177.8	-88.4	162.2	0	0	0	111.7	V166 V179 L183 L266 E267 D268 E272 L273 L274	V166-L270 HydrophobicContact CB-CD2 4.3Å; V166-L270 HydrophobicContact CG2-CD2 3.49Å; V166-L270 VanDerWaalsContact CG2-CD2 3.49Å; V166-L270 HydrophobicContact CG2-CG 4.46Å; V179-L270 HydrophobicContact CG1-CD1 3.82Å; L183-L270 HydrophobicContact CD1-CD1 3.27Å; L183-L270 HydrophobicContact CD2-CD1 3.6Å; L183-L270 HydrophobicContact CG-CD1 3.75Å; L266-L270 PolarHBondContact O-N 3.23Å; E267-L270 WeakPolarHBondContact O-CB 3.17Å; E267-L270 PolarHBondContact O-N 3.5Å; E267-L270 VanDerWaalsContact O-N 3.14Å; D268-L270 VanDerWaalsContact C-N 3.34Å; L270-E272 VanDerWaalsContact C-N 3.27Å; L270-E272 PolarHBondContact O-N 2.88Å; L270-L273 PolarHBondContact O-N 3.21Å; L270-L274 WeakPolarHBondContact O-CB 3.25Å; L270-L274 VanDerWaalsContact O-CG 3.23Å; L270-L274 WeakPolarHBondContact O-CG 3.26Å; L270-L274 PolarHBondContact O-N 3.28Å
271	D	51.3	Low	47.7	Very low	71 Å²	71	83.7 Å²	83.7	38%	0.38	43%	0.425	S	S	.	.	H	α-helix	trans	-59.3	-40.2	177.5	-81.4	-8.3	0	0	0	111.2	E267 D268 L274 Q275	E267-D271 PolarHBondContact O-N 3.35Å; D268-D271 PolarHBondContact O-N 3.09Å; D271-L274 PolarHBondContact O-N 2.91Å; D271-Q275 WeakPolarHBondContact O-CB 3.4Å; D271-Q275 WeakPolarHBondContact O-CG 3.24Å; D271-Q275 PolarHBondContact O-N 3.43Å
272	E	51.3	Low	47.7	Very low	39 Å²	39	84.1 Å²	84.1	18%	0.182	43%	0.426	C	S	.	.	H	α-helix	trans	-68.9	-40.8	176.9	-175.4	166.4	-160.2	0	0	112.7	L18 L22 D268 I269 L270 L274 Q275 N276	L18-E272 WeakPolarHBondContact CB-OE1 3.35Å; L18-E272 VanDerWaalsContact CD2-OE2 3.32Å; L18-E272 WeakPolarHBondContact CD2-OE2 3.33Å; L22-E272 HydrophobicContact CD1-CG 4.1Å; D268-E272 WeakPolarHBondContact O-CB 3.3Å; D268-E272 PolarHBondContact O-N 2.93Å; I269-E272 PolarHBondContact O-N 3.44Å; L270-E272 VanDerWaalsContact C-N 3.27Å; L270-E272 PolarHBondContact O-N 2.88Å; E272-L274 VanDerWaalsContact C-N 3.31Å; E272-L274 PolarHBondContact O-N 3.19Å; E272-Q275 PolarHBondContact O-N 2.7Å; E272-N276 WeakPolarHBondContact O-CB 3.3Å; E272-N276 VanDerWaalsContact O-CG 3.25Å; E272-N276 PolarHBondContact O-N 2.89Å; E272-N276 PolarHBondContact O-ND2 2.85Å; E272-N276 VanDerWaalsContact O-ND2 3.07Å
273	L	49.4	Very low	47.6	Very low	55 Å²	55	86.4 Å²	86.4	29%	0.288	44%	0.436	S	S	.	.	H	α-helix	trans	-66.3	-33	174.9	-72.8	171.8	0	0	0	112.5	L22 V166 I269 L270 N277	L22-L273 HydrophobicContact CD2-CD2 4.38Å; V166-L273 HydrophobicContact CG1-CB 4.45Å; V166-L273 HydrophobicContact CG1-CD1 4.23Å; V166-L273 HydrophobicContact CG2-CD1 3.78Å; I269-L273 HydrophobicContact CG2-CD1 3.77Å; I269-L273 HydrophobicContact CG2-CG 4.32Å; I269-L273 WeakPolarHBondContact O-CB 3.31Å; I269-L273 WeakPolarHBondContact O-CG 3.46Å; I269-L273 PolarHBondContact O-N 3.15Å; L270-L273 PolarHBondContact O-N 3.21Å; L273-N277 PolarHBondContact O-ND2 2.86Å
274	L	48.7	Very low	47.6	Very low	51 Å²	51	90.7 Å²	90.7	27%	0.267	46%	0.456	S	S	.	.	H	α-helix	trans	-74.2	-37.6	174.5	-68.8	170.3	0	0	0	111.9	V169 L270 D271 E272	V169-L274 HydrophobicContact CG1-CD1 3.99Å; V169-L274 HydrophobicContact CG1-CD2 3.77Å; L270-L274 WeakPolarHBondContact O-CB 3.25Å; L270-L274 VanDerWaalsContact O-CG 3.23Å; L270-L274 WeakPolarHBondContact O-CG 3.26Å; L270-L274 PolarHBondContact O-N 3.28Å; D271-L274 PolarHBondContact O-N 2.91Å; E272-L274 VanDerWaalsContact C-N 3.31Å; E272-L274 PolarHBondContact O-N 3.19Å
275	Q	51.1	Low	47.6	Very low	129 Å²	129	91.6 Å²	91.6	60%	0.603	46%	0.456	S	S	*	.	H	α-helix	trans	-71.1	-39.9	179.3	-76.4	171.5	29.6	0	0	112.9	D271 E272 N277 N278	D271-Q275 WeakPolarHBondContact O-CB 3.4Å; D271-Q275 WeakPolarHBondContact O-CG 3.24Å; D271-Q275 PolarHBondContact O-N 3.43Å; E272-Q275 PolarHBondContact O-N 2.7Å; Q275-N277 PolarHBondContact O-N 3Å; Q275-N277 VanDerWaalsContact O-N 3.09Å; Q275-N278 PolarHBondContact O-N 2.97Å; Q275-N278 VanDerWaalsContact O-N 3.11Å
276	N	46.3	Very low	47.3	Very low	65 Å²	65	88.3 Å²	88.3	35%	0.348	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.7	-176.7	-74.3	-31.9	0	0	0	114.8	L22 E272	L22-N276 WeakPolarHBondContact CD1-ND2 3.25Å; E272-N276 WeakPolarHBondContact O-CB 3.3Å; E272-N276 VanDerWaalsContact O-CG 3.25Å; E272-N276 PolarHBondContact O-N 2.89Å; E272-N276 PolarHBondContact O-ND2 2.85Å; E272-N276 VanDerWaalsContact O-ND2 3.07Å
277	N	46.8	Very low	47.2	Very low	86 Å²	86	93.3 Å²	93.3	46%	0.46	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-6.6	175.3	-72.7	-50.2	0	0	0	113.8	L273 Q275	L273-N277 PolarHBondContact O-ND2 2.86Å; Q275-N277 PolarHBondContact O-N 3Å; Q275-N277 VanDerWaalsContact O-N 3.09Å
278	N	45.6	Very low	46.8	Very low	140 Å²	140	95.9 Å²	95.9	75%	0.749	49%	0.489	S	S	*	.	S	Bend	trans	-90.4	-6	177.7	-77.8	-31.7	0	0	0	113.5	Q275	Q275-N278 PolarHBondContact O-N 2.97Å; Q275-N278 VanDerWaalsContact O-N 3.11Å
279	D	43.8	Very low	46.6	Very low	150 Å²	150	96.1 Å²	96.1	80%	0.802	49%	0.489	S	S	*	.	S	Bend	trans	-97.1	3.6	176.1	-80.1	-27.6	0	0	0	113.6
280	D	37	Very low	46.1	Very low	139 Å²	139	99.7 Å²	99.7	74%	0.743	51%	0.507	S	S	*	.			trans	-103.8	112.8	169.3	-86	-22.6	0	0	0	110.6
281	H	32.6	Very low	45.8	Very low	266 Å²	266	108.3 Å²	108.3	100%	1.231	55%	0.55	S	S	*	*			trans	-59.1	0	165.9	-103.2	-58.7	0	0	0	113.3

Retrieved 281 of 281 residues in 233.3 ms (Link to these results)

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