A0A077YYX7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YYX7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 257 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	33.9	Very low	40.1	Very low	253 Å²	253	165.8 Å²	165.8	100%	1.246	86%	0.861	S	S	*	*				0	103.1	0	-80.6	179.6	147.3	0	0	108.5
2	A	41.1	Very low	40	Very low	95 Å²	95	160.4 Å²	160.4	79%	0.785	85%	0.848	S	S	*	*			trans	-146.4	90.5	172.8	0	0	0	0	0	108.1	R4	A2-R4 PolarHBondContact O-N 3.47Å; A2-R4 VanDerWaalsContact O-N 3.11Å
3	S	41.3	Very low	39.9	Very low	127 Å²	127	158.6 Å²	158.6	89%	0.888	84%	0.837	S	S	*	*			trans	-68.7	98.3	169.7	-72	0	0	0	0	109
4	R	41.7	Very low	39.8	Very low	239 Å²	239	151 Å²	151	90%	0.902	82%	0.815	S	S	*	*			trans	-97.7	85.4	159.1	-78.3	-177	175.8	174.2	-1.6	107.3	A2	A2-R4 PolarHBondContact O-N 3.47Å; A2-R4 VanDerWaalsContact O-N 3.11Å
5	K	39.9	Very low	39.8	Very low	203 Å²	203	152.3 Å²	152.3	88%	0.883	81%	0.814	S	S	*	*			trans	-83.1	107.8	160.5	-88.3	-172.4	172.4	-173.4	0	106.7	K7	K5-K7 PolarHBondContact O-N 3.11Å
6	S	42.3	Very low	40.2	Very low	103 Å²	103	148.9 Å²	148.9	72%	0.72	80%	0.796	S	S	*	*			trans	-56.1	126.5	167.9	39.7	0	0	0	0	109	E8	S6-E8 PolarHBondContact O-N 3.22Å
7	K	40.9	Very low	40.6	Very low	199 Å²	199	146.1 Å²	146.1	87%	0.865	78%	0.781	S	S	*	*			trans	-66.6	110.2	159.8	-80.2	-179.7	171.4	-176.1	0	105.8	K5 D9	K5-K7 PolarHBondContact O-N 3.11Å; K7-D9 PolarHBondContact O-N 3.24Å
8	E	44.3	Very low	40.8	Very low	180 Å²	180	146.8 Å²	146.8	84%	0.841	78%	0.779	S	S	*	*			trans	-64.5	110.4	161.5	-76.8	168	158.4	0	0	106.3	S6 S10	S6-E8 PolarHBondContact O-N 3.22Å; E8-S10 VanDerWaalsContact C-N 3.32Å; E8-S10 PolarHBondContact O-N 3.23Å
9	D	40.5	Very low	40.8	Very low	147 Å²	147	146.3 Å²	146.3	79%	0.786	77%	0.771	S	S	*	*			trans	-62.9	100	162.2	-86.5	-34.7	0	0	0	106.6	K7 H11	K7-D9 PolarHBondContact O-N 3.24Å; D9-H11 VanDerWaalsContact C-N 3.26Å; D9-H11 PolarHBondContact O-N 3.25Å
10	S	39.4	Very low	40.8	Very low	111 Å²	111	144.5 Å²	144.5	78%	0.776	75%	0.754	S	S	*	*			trans	-67.1	89.4	166.6	56.2	0	0	0	0	107.7	E8 S12	E8-S10 VanDerWaalsContact C-N 3.32Å; E8-S10 PolarHBondContact O-N 3.23Å; S10-S12 PolarHBondContact O-N 3.03Å
11	H	35.9	Very low	40.8	Very low	167 Å²	167	144.4 Å²	144.4	77%	0.773	75%	0.75	S	S	*	*			trans	-64.1	114.9	156.9	-84.1	-4.1	0	0	0	107.4	D9 I13	D9-H11 VanDerWaalsContact C-N 3.26Å; D9-H11 PolarHBondContact O-N 3.25Å; H11-I13 PolarHBondContact O-N 3.17Å; H11-I13 VanDerWaalsContact O-N 3.17Å
12	S	39	Very low	41.3	Very low	101 Å²	101	138.9 Å²	138.9	71%	0.706	72%	0.722	S	S	*	*			trans	-66.2	106.3	172.5	-178.8	0	0	0	0	107.3	S10 G14	S10-S12 PolarHBondContact O-N 3.03Å; S12-G14 PolarHBondContact O-N 2.94Å
13	I	38.2	Very low	41.3	Very low	137 Å²	137	139.7 Å²	139.7	70%	0.703	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-9.6	-179.4	-78.9	167.4	0	0	0	112.4	H11 E15	H11-I13 PolarHBondContact O-N 3.17Å; H11-I13 VanDerWaalsContact O-N 3.17Å; I13-E15 PolarHBondContact O-N 3.5Å
14	G	38.2	Very low	41.1	Very low	52 Å²	52	136.8 Å²	136.8	54%	0.536	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.2	-7.8	-166.6	0	0	0	0	0	118	S12	S12-G14 PolarHBondContact O-N 2.94Å
15	E	40.9	Very low	41.3	Very low	170 Å²	170	129.1 Å²	129.1	79%	0.794	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-20.5	-177.7	-74.2	-176.1	175.1	0	0	113.7	I13	I13-E15 PolarHBondContact O-N 3.5Å
16	D	45.7	Very low	41.5	Very low	99 Å²	99	124.3 Å²	124.3	53%	0.529	65%	0.647	S	S	.	*	H	α-helix	trans	-84.2	-24.1	-179.9	-78.4	-5	0	0	0	112.6	E18 E19 Y20	D16-E18 PolarHBondContact O-N 3.46Å; D16-E19 PolarHBondContact O-N 3.39Å; D16-Y20 HydrophobicContact CB-CD2 4.28Å; D16-Y20 HydrophobicContact CB-CE2 3.84Å; D16-Y20 WeakPolarHBondContact O-CD2 2.96Å; D16-Y20 PolarHBondContact O-N 3.44Å
17	D	47.5	Very low	41.5	Very low	101 Å²	101	123 Å²	123	54%	0.54	63%	0.631	S	S	.	*	H	α-helix	trans	-66.3	-35.1	-174.9	-79.9	-15.5	0	0	0	113.3	Y20 E21	D17-Y20 PolarHBondContact O-N 3.42Å; D17-E21 PolarHBondContact O-N 3.48Å
18	E	44.5	Very low	41.5	Very low	159 Å²	159	117.9 Å²	117.9	74%	0.743	62%	0.616	S	S	*	*	H	α-helix	trans	-69.8	-37.3	178.9	-73.5	-174.2	175.5	0	0	112	D16 Y20 E21 E22	D16-E18 PolarHBondContact O-N 3.46Å; E18-Y20 VanDerWaalsContact C-N 3.32Å; E18-Y20 PolarHBondContact O-N 3.04Å; E18-E21 PolarHBondContact O-N 3.29Å; E18-E22 PolarHBondContact O-N 3.07Å
19	E	39.7	Very low	41.5	Very low	137 Å²	137	114.6 Å²	114.6	64%	0.64	60%	0.601	S	S	*	*	H	α-helix	trans	-67.2	-35.6	178	-160.4	173.6	-159.1	0	0	110.8	D16 E23	D16-E19 PolarHBondContact O-N 3.39Å; E19-E23 PolarHBondContact O-N 3.2Å; E19-E23 VanDerWaalsContact O-N 3.07Å
20	Y	41.5	Very low	41.6	Very low	109 Å²	109	110.1 Å²	110.1	43%	0.427	58%	0.577	S	S	.	*	H	α-helix	trans	-74.1	-36.6	175.7	-68.8	-59.6	0	0	0	113.7	D16 D17 E18 E22 E23 I24	D16-Y20 HydrophobicContact CB-CD2 4.28Å; D16-Y20 HydrophobicContact CB-CE2 3.84Å; D16-Y20 WeakPolarHBondContact O-CD2 2.96Å; D16-Y20 PolarHBondContact O-N 3.44Å; D17-Y20 PolarHBondContact O-N 3.42Å; E18-Y20 VanDerWaalsContact C-N 3.32Å; E18-Y20 PolarHBondContact O-N 3.04Å; Y20-E22 VanDerWaalsContact C-N 3.3Å; Y20-E22 PolarHBondContact O-N 3.13Å; Y20-E23 PolarHBondContact O-N 2.94Å; Y20-I24 WeakPolarHBondContact O-CB 3.47Å; Y20-I24 VanDerWaalsContact O-CG1 3.28Å; Y20-I24 WeakPolarHBondContact O-CG1 3.25Å; Y20-I24 PolarHBondContact O-N 3.04Å
21	E	41.1	Very low	42.2	Very low	143 Å²	143	107.4 Å²	107.4	67%	0.668	56%	0.557	S	S	*	*	H	α-helix	trans	-62.4	-39.3	173.8	-82.2	-159.1	168.1	0	0	111.1	D17 E18 I24 T25	D17-E21 PolarHBondContact O-N 3.48Å; E18-E21 PolarHBondContact O-N 3.29Å; E21-I24 PolarHBondContact O-N 2.82Å; E21-T25 WeakPolarHBondContact O-CB 3.33Å; E21-T25 PolarHBondContact O-N 3.01Å; E21-T25 PolarHBondContact O-OG1 3.21Å
22	E	43.7	Very low	43.1	Very low	138 Å²	138	107.2 Å²	107.2	65%	0.645	56%	0.556	S	S	*	*	H	α-helix	trans	-65.6	-41.5	173.2	-77	-166.9	167.5	0	0	112.2	E18 Y20 T25 N26	E18-E22 PolarHBondContact O-N 3.07Å; Y20-E22 VanDerWaalsContact C-N 3.3Å; Y20-E22 PolarHBondContact O-N 3.13Å; E22-T25 PolarHBondContact O-N 3.28Å; E22-N26 VanDerWaalsContact O-CB 3.25Å; E22-N26 WeakPolarHBondContact O-CB 3.49Å; E22-N26 PolarHBondContact O-N 3.47Å; E22-N26 PolarHBondContact O-ND2 3.21Å; E22-N26 VanDerWaalsContact O-ND2 3.13Å
23	E	40.7	Very low	43.8	Very low	111 Å²	111	106 Å²	106	52%	0.519	54%	0.541	S	S	.	.	H	α-helix	trans	-61.1	-46.9	173.5	-87.8	-166.5	156.6	0	0	111.7	E19 Y20 T25 N26 L27	E19-E23 PolarHBondContact O-N 3.2Å; E19-E23 VanDerWaalsContact O-N 3.07Å; Y20-E23 PolarHBondContact O-N 2.94Å; E23-T25 PolarHBondContact O-N 2.64Å; E23-N26 PolarHBondContact O-N 3.06Å; E23-L27 VanDerWaalsContact O-CB 3.28Å; E23-L27 WeakPolarHBondContact O-CB 3.28Å; E23-L27 VanDerWaalsContact O-CD1 3.25Å; E23-L27 WeakPolarHBondContact O-CD1 3.43Å; E23-L27 WeakPolarHBondContact O-CG 3.49Å; E23-L27 PolarHBondContact O-N 3.29Å
24	I	37.7	Very low	44.1	Very low	67 Å²	67	100.2 Å²	100.2	34%	0.344	51%	0.513	S	S	.	.	H	α-helix	trans	-64.2	-43	179.9	-67.1	169.8	0	0	0	110.6	Y20 E21 L27 T28 L170	Y20-I24 WeakPolarHBondContact O-CB 3.47Å; Y20-I24 VanDerWaalsContact O-CG1 3.28Å; Y20-I24 WeakPolarHBondContact O-CG1 3.25Å; Y20-I24 PolarHBondContact O-N 3.04Å; E21-I24 PolarHBondContact O-N 2.82Å; I24-L27 CarbonylContact O-C 3.54Å; I24-L27 PolarHBondContact O-N 3.24Å; I24-L27 VanDerWaalsContact O-N 3.12Å; I24-T28 PolarHBondContact O-N 3.48Å; I24-T28 PolarHBondContact O-OG1 3.15Å; I24-L170 HydrophobicContact CD1-CD2 4.35Å; I24-L170 HydrophobicContact CG1-CD2 4.43Å
25	T	45.3	Very low	44.7	Very low	77 Å²	77	100.5 Å²	100.5	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-63.7	-46.8	179.2	-49	0	0	0	0	110.5	E21 E22 E23 L27 T28 E29	E21-T25 WeakPolarHBondContact O-CB 3.33Å; E21-T25 PolarHBondContact O-N 3.01Å; E21-T25 PolarHBondContact O-OG1 3.21Å; E22-T25 PolarHBondContact O-N 3.28Å; E23-T25 PolarHBondContact O-N 2.64Å; T25-L27 PolarHBondContact O-N 2.88Å; T25-T28 PolarHBondContact O-N 3.45Å; T25-T28 PolarHBondContact O-OG1 2.84Å; T25-E29 PolarHBondContact O-N 3.34Å
26	N	44.6	Very low	45.4	Very low	103 Å²	103	97.3 Å²	97.3	55%	0.551	49%	0.493	S	S	*	.	H	α-helix	trans	-63.1	-20.1	174.6	-73.6	-28.1	0	0	0	113.4	E22 E23	E22-N26 VanDerWaalsContact O-CB 3.25Å; E22-N26 WeakPolarHBondContact O-CB 3.49Å; E22-N26 PolarHBondContact O-N 3.47Å; E22-N26 PolarHBondContact O-ND2 3.21Å; E22-N26 VanDerWaalsContact O-ND2 3.13Å; E23-N26 PolarHBondContact O-N 3.06Å
27	L	42.7	Very low	45.5	Very low	76 Å²	76	97.7 Å²	97.7	40%	0.398	49%	0.49	S	S	.	.	H	α-helix	trans	-96.3	-24	179.6	-75.1	164.4	0	0	0	113.8	E23 I24 T25 E29 L153	E23-L27 VanDerWaalsContact O-CB 3.28Å; E23-L27 WeakPolarHBondContact O-CB 3.28Å; E23-L27 VanDerWaalsContact O-CD1 3.25Å; E23-L27 WeakPolarHBondContact O-CD1 3.43Å; E23-L27 WeakPolarHBondContact O-CG 3.49Å; E23-L27 PolarHBondContact O-N 3.29Å; I24-L27 CarbonylContact O-C 3.54Å; I24-L27 PolarHBondContact O-N 3.24Å; I24-L27 VanDerWaalsContact O-N 3.12Å; T25-L27 PolarHBondContact O-N 2.88Å; L27-E29 PolarHBondContact O-N 2.9Å; L27-L153 HydrophobicContact CB-CD1 4.2Å; L27-L153 HydrophobicContact CD1-CD1 3.48Å; L27-L153 VanDerWaalsContact CD1-CD1 3.48Å; L27-L153 HydrophobicContact CD1-CD2 3.6Å; L27-L153 HydrophobicContact CD1-CG 4.17Å; L27-L153 HydrophobicContact CD2-CD1 3.76Å; L27-L153 HydrophobicContact CG-CD1 4.01Å
28	T	40.8	Very low	45.4	Very low	90 Å²	90	93.4 Å²	93.4	55%	0.552	47%	0.468	S	S	*	.	H	α-helix	trans	-69.7	-19.9	165.1	52.4	0	0	0	0	112.1	I24 T25 L30	I24-T28 PolarHBondContact O-N 3.48Å; I24-T28 PolarHBondContact O-OG1 3.15Å; T25-T28 PolarHBondContact O-N 3.45Å; T25-T28 PolarHBondContact O-OG1 2.84Å; T28-L30 PolarHBondContact O-N 3.1Å; T28-L30 VanDerWaalsContact O-N 3.16Å
29	E	43.9	Very low	45.8	Very low	111 Å²	111	90 Å²	90	52%	0.519	45%	0.452	S	S	.	.	S	Bend	trans	-71.8	107.3	166.5	-66.8	-176.2	176.7	0	0	108.2	T25 L27	T25-E29 PolarHBondContact O-N 3.34Å; L27-E29 PolarHBondContact O-N 2.9Å
30	L	43.2	Very low	46.3	Very low	53 Å²	53	88 Å²	88	28%	0.277	44%	0.442	S	S	.	.			trans	-42.9	141.4	161.5	-75.3	162.7	0	0	0	108	T28 E32 V34 P35	T28-L30 PolarHBondContact O-N 3.1Å; T28-L30 VanDerWaalsContact O-N 3.16Å; L30-E32 PolarHBondContact O-N 3.25Å; L30-E32 VanDerWaalsContact O-N 3.14Å; L30-V34 HydrophobicContact CB-CB 4.44Å; L30-V34 HydrophobicContact CD2-CG1 4.41Å; L30-P35 HydrophobicContact CB-CG 4Å; L30-P35 HydrophobicContact CD1-CG 4.21Å
31	P	52.5	Low	46.5	Very low	54 Å²	54	84.2 Å²	84.2	35%	0.351	43%	0.429	S	S	.	.			trans	-43.1	129.3	175.6	-28.4	34.4	0	0	0	109.5	D33 V34 P35	P31-D33 WeakPolarHBondContact CB-OD1 3.42Å; P31-D33 PolarHBondContact O-N 2.91Å; P31-V34 HydrophobicContact CB-CG2 4.18Å; P31-V34 HydrophobicContact CG-CG2 4.36Å; P31-V34 PolarHBondContact O-N 3.22Å; P31-P35 VanDerWaalsContact O-CD 3.25Å; P31-P35 WeakPolarHBondContact O-CD 3.14Å
32	E	54.7	Low	46.8	Very low	164 Å²	164	82 Å²	82	77%	0.766	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-22.8	-168.9	-71.2	-174.5	154.6	0	0	113.2	L30 N36	L30-E32 PolarHBondContact O-N 3.25Å; L30-E32 VanDerWaalsContact O-N 3.14Å; E32-N36 PolarHBondContact O-ND2 2.83Å
33	D	52	Low	47.3	Very low	74 Å²	74	82.7 Å²	82.7	40%	0.396	42%	0.417	S	S	.	.	H	α-helix	trans	-77.4	-23	177.9	72.4	-34.6	0	0	0	114.3	P31 K37	P31-D33 WeakPolarHBondContact CB-OD1 3.42Å; P31-D33 PolarHBondContact O-N 2.91Å; D33-K37 WeakPolarHBondContact O-CB 3.37Å; D33-K37 VanDerWaalsContact O-CD 3.31Å; D33-K37 WeakPolarHBondContact O-CD 3.28Å; D33-K37 WeakPolarHBondContact O-CG 3.25Å; D33-K37 PolarHBondContact O-N 2.82Å; D33-K37 WeakPolarHBondContact OD2-CE 3.32Å; D33-K37 IonicContact OD2-NZ 2.82Å; D33-K37 PolarHBondContact OD2-NZ 3Å
34	V	45.3	Very low	47.6	Very low	17 Å²	17	81.1 Å²	81.1	10%	0.103	41%	0.412	C	S	.	.	H	α-helix	trans	-72.4	-55.9	-174.9	172.8	0	0	0	0	112.1	L30 P31 N36 K37 I38 L142	L30-V34 HydrophobicContact CB-CB 4.44Å; L30-V34 HydrophobicContact CD2-CG1 4.41Å; P31-V34 HydrophobicContact CB-CG2 4.18Å; P31-V34 HydrophobicContact CG-CG2 4.36Å; P31-V34 PolarHBondContact O-N 3.22Å; V34-N36 VanDerWaalsContact C-N 3.26Å; V34-N36 PolarHBondContact O-N 3.43Å; V34-K37 PolarHBondContact O-N 3.31Å; V34-K37 VanDerWaalsContact O-N 3.13Å; V34-I38 HydrophobicContact CG1-CD1 3.96Å; V34-I38 WeakPolarHBondContact O-CG1 3.25Å; V34-I38 PolarHBondContact O-N 3.18Å; V34-L142 HydrophobicContact CG1-CD1 3.7Å
35	P	50.7	Low	47.8	Very low	58 Å²	58	78.7 Å²	78.7	38%	0.377	40%	0.401	S	S	.	.	H	α-helix	trans	-58.3	-40.2	175.5	-23.6	34.4	0	0	0	112	L30 P31 K37 I38 E39	L30-P35 HydrophobicContact CB-CG 4Å; L30-P35 HydrophobicContact CD1-CG 4.21Å; P31-P35 VanDerWaalsContact O-CD 3.25Å; P31-P35 WeakPolarHBondContact O-CD 3.14Å; P35-K37 PolarHBondContact O-N 3.11Å; P35-I38 PolarHBondContact O-N 3.23Å; P35-E39 WeakPolarHBondContact O-CB 3.44Å; P35-E39 PolarHBondContact O-N 3.5Å
36	N	56.2	Low	47.9	Very low	102 Å²	102	81 Å²	81	55%	0.545	41%	0.408	S	S	.	.	H	α-helix	trans	-62.1	-42.7	176.5	-79.6	-41.1	0	0	0	112.4	E32 V34 I38 Q40	E32-N36 PolarHBondContact O-ND2 2.83Å; V34-N36 VanDerWaalsContact C-N 3.26Å; V34-N36 PolarHBondContact O-N 3.43Å; N36-I38 VanDerWaalsContact C-N 3.35Å; N36-Q40 WeakPolarHBondContact O-CB 3.43Å; N36-Q40 PolarHBondContact O-N 2.99Å
37	K	46.6	Very low	48.1	Very low	107 Å²	107	82.5 Å²	82.5	47%	0.465	41%	0.409	S	S	.	.	H	α-helix	trans	-63.8	-41.3	174.7	-80.4	165.9	-178.9	172.3	0	111.2	D33 V34 P35 Q40 I41	D33-K37 WeakPolarHBondContact O-CB 3.37Å; D33-K37 VanDerWaalsContact O-CD 3.31Å; D33-K37 WeakPolarHBondContact O-CD 3.28Å; D33-K37 WeakPolarHBondContact O-CG 3.25Å; D33-K37 PolarHBondContact O-N 2.82Å; D33-K37 WeakPolarHBondContact OD2-CE 3.32Å; D33-K37 IonicContact OD2-NZ 2.82Å; D33-K37 PolarHBondContact OD2-NZ 3Å; V34-K37 PolarHBondContact O-N 3.31Å; V34-K37 VanDerWaalsContact O-N 3.13Å; P35-K37 PolarHBondContact O-N 3.11Å; K37-Q40 PolarHBondContact O-N 2.89Å; K37-I41 WeakPolarHBondContact O-CD1 3.13Å; K37-I41 WeakPolarHBondContact O-CG1 3.27Å; K37-I41 PolarHBondContact O-N 3.33Å
38	I	45.9	Very low	48.1	Very low	12 Å²	12	79.5 Å²	79.5	6%	0.062	39%	0.394	C	S	.	.	H	α-helix	trans	-65.8	-47.8	178.8	-67	171.5	0	0	0	110.4	V34 P35 N36 Q40 I41 M42 L142 E184 F188	V34-I38 HydrophobicContact CG1-CD1 3.96Å; V34-I38 WeakPolarHBondContact O-CG1 3.25Å; V34-I38 PolarHBondContact O-N 3.18Å; P35-I38 PolarHBondContact O-N 3.23Å; N36-I38 VanDerWaalsContact C-N 3.35Å; I38-Q40 VanDerWaalsContact C-N 3.28Å; I38-Q40 PolarHBondContact O-N 3.49Å; I38-I41 WeakPolarHBondContact O-CB 3.47Å; I38-I41 PolarHBondContact O-N 3.32Å; I38-I41 VanDerWaalsContact O-N 3.1Å; I38-M42 HydrophobicContact CG2-CG 4.48Å; I38-M42 HydrophobicContact CG2-SD 4.31Å; I38-M42 WeakPolarHBondContact O-CG 3.4Å; I38-M42 PolarHBondContact O-N 3.3Å; I38-L142 HydrophobicContact CD1-CD1 3.39Å; I38-E184 WeakPolarHBondContact CD1-OE2 3.35Å; I38-F188 HydrophobicContact CG1-CZ 4.34Å; I38-F188 HydrophobicContact CG2-CZ 4.11Å
39	E	53.4	Low	48.3	Very low	88 Å²	88	80.5 Å²	80.5	41%	0.411	39%	0.39	S	S	.	.	H	α-helix	trans	-60	-41.1	177.4	-161.3	-167.5	158.5	0	0	111.3	P35 M42 R43	P35-E39 WeakPolarHBondContact O-CB 3.44Å; P35-E39 PolarHBondContact O-N 3.5Å; E39-M42 PolarHBondContact O-N 3.12Å; E39-R43 WeakPolarHBondContact O-CG 3.31Å; E39-R43 PolarHBondContact O-N 3.47Å; E39-R43 IonicContact OE1-CZ 2.69Å; E39-R43 VanDerWaalsContact OE1-CZ 3.26Å; E39-R43 IonicContact OE1-NE 2.61Å; E39-R43 PolarHBondContact OE1-NE 3.4Å; E39-R43 VanDerWaalsContact OE1-NE 3.09Å; E39-R43 IonicContact OE1-NH2 3.82Å; E39-R43 PolarHBondContact OE1-NH2 3.39Å
40	Q	50.6	Low	48.6	Very low	94 Å²	94	82.1 Å²	82.1	44%	0.439	40%	0.396	S	S	.	.	H	α-helix	trans	-62.5	-43.9	175.1	-175.6	57.9	39.2	0	0	111.7	N36 K37 I38 M42 R43 D44	N36-Q40 WeakPolarHBondContact O-CB 3.43Å; N36-Q40 PolarHBondContact O-N 2.99Å; K37-Q40 PolarHBondContact O-N 2.89Å; I38-Q40 VanDerWaalsContact C-N 3.28Å; I38-Q40 PolarHBondContact O-N 3.49Å; Q40-M42 VanDerWaalsContact C-N 3.33Å; Q40-M42 PolarHBondContact O-N 2.98Å; Q40-R43 PolarHBondContact O-N 2.96Å; Q40-D44 VanDerWaalsContact NE2-CG 3.32Å; Q40-D44 PolarHBondContact NE2-OD1 3.46Å; Q40-D44 VanDerWaalsContact NE2-OD1 3.08Å; Q40-D44 PolarHBondContact NE2-OD2 2.95Å; Q40-D44 WeakPolarHBondContact O-CB 3.42Å; Q40-D44 PolarHBondContact O-N 2.97Å
41	I	45.8	Very low	48.7	Very low	30 Å²	30	84 Å²	84	15%	0.154	40%	0.403	C	S	.	.	H	α-helix	trans	-60.8	-42.5	175.1	-69.9	163.2	0	0	0	110.8	K37 I38 D44 S45 A138 F188	K37-I41 WeakPolarHBondContact O-CD1 3.13Å; K37-I41 WeakPolarHBondContact O-CG1 3.27Å; K37-I41 PolarHBondContact O-N 3.33Å; I38-I41 WeakPolarHBondContact O-CB 3.47Å; I38-I41 PolarHBondContact O-N 3.32Å; I38-I41 VanDerWaalsContact O-N 3.1Å; I41-D44 PolarHBondContact O-N 2.69Å; I41-S45 WeakPolarHBondContact O-CB 3.27Å; I41-S45 PolarHBondContact O-N 2.85Å; I41-A138 HydrophobicContact CD1-CB 3.84Å; I41-F188 HydrophobicContact CG2-CE1 4.11Å
42	M	47.1	Very low	48.2	Very low	96 Å²	96	81.9 Å²	81.9	47%	0.473	39%	0.389	S	S	.	.	H	α-helix	trans	-63.3	-43	176.8	-69	-179.4	82.4	0	0	112	I38 E39 Q40 S45 M46	I38-M42 HydrophobicContact CG2-CG 4.48Å; I38-M42 HydrophobicContact CG2-SD 4.31Å; I38-M42 WeakPolarHBondContact O-CG 3.4Å; I38-M42 PolarHBondContact O-N 3.3Å; E39-M42 PolarHBondContact O-N 3.12Å; Q40-M42 VanDerWaalsContact C-N 3.33Å; Q40-M42 PolarHBondContact O-N 2.98Å; M42-S45 WeakPolarHBondContact O-CB 3.42Å; M42-S45 PolarHBondContact O-N 3.37Å; M42-M46 PolarHBondContact O-N 2.61Å
43	R	52.8	Low	47.9	Very low	152 Å²	152	78.5 Å²	78.5	57%	0.574	38%	0.375	S	S	*	.	H	α-helix	trans	-63.2	-46.7	176.4	-73.8	176.5	-178.3	-150.9	4.2	111.8	E39 Q40 S45 M46 K47	E39-R43 WeakPolarHBondContact O-CG 3.31Å; E39-R43 PolarHBondContact O-N 3.47Å; E39-R43 IonicContact OE1-CZ 2.69Å; E39-R43 VanDerWaalsContact OE1-CZ 3.26Å; E39-R43 IonicContact OE1-NE 2.61Å; E39-R43 PolarHBondContact OE1-NE 3.4Å; E39-R43 VanDerWaalsContact OE1-NE 3.09Å; E39-R43 IonicContact OE1-NH2 3.82Å; E39-R43 PolarHBondContact OE1-NH2 3.39Å; Q40-R43 PolarHBondContact O-N 2.96Å; R43-S45 VanDerWaalsContact C-N 3.28Å; R43-S45 PolarHBondContact O-N 2.94Å; R43-M46 PolarHBondContact O-N 3.28Å; R43-K47 PolarHBondContact O-N 3.23Å
44	D	46.8	Very low	47.6	Very low	78 Å²	78	78.7 Å²	78.7	42%	0.417	38%	0.376	S	S	.	.	H	α-helix	trans	-63	-37.9	177.8	-71.9	-25.5	0	0	0	111.4	Q40 I41 L48	Q40-D44 VanDerWaalsContact NE2-CG 3.32Å; Q40-D44 PolarHBondContact NE2-OD1 3.46Å; Q40-D44 VanDerWaalsContact NE2-OD1 3.08Å; Q40-D44 PolarHBondContact NE2-OD2 2.95Å; Q40-D44 WeakPolarHBondContact O-CB 3.42Å; Q40-D44 PolarHBondContact O-N 2.97Å; I41-D44 PolarHBondContact O-N 2.69Å; D44-L48 WeakPolarHBondContact O-CB 2.89Å; D44-L48 PolarHBondContact O-N 3.5Å
45	S	42.4	Very low	47.5	Very low	16 Å²	16	79.7 Å²	79.7	11%	0.112	38%	0.381	C	S	.	.	H	α-helix	trans	-63.3	-46.3	174.1	177.7	0	0	0	0	113	I41 M42 R43 L48 K49 L191	I41-S45 WeakPolarHBondContact O-CB 3.27Å; I41-S45 PolarHBondContact O-N 2.85Å; M42-S45 WeakPolarHBondContact O-CB 3.42Å; M42-S45 PolarHBondContact O-N 3.37Å; R43-S45 VanDerWaalsContact C-N 3.28Å; R43-S45 PolarHBondContact O-N 2.94Å; S45-L48 PolarHBondContact O-N 2.86Å; S45-K49 PolarHBondContact O-N 3.39Å; S45-L191 WeakPolarHBondContact OG-CD1 3.49Å; S45-L191 VanDerWaalsContact OG-CD2 3.3Å; S45-L191 WeakPolarHBondContact OG-CD2 3.45Å
46	M	48.3	Very low	47.2	Very low	127 Å²	127	80.1 Å²	80.1	63%	0.626	38%	0.379	S	S	*	.	H	α-helix	trans	-64.8	-40.5	177.9	-79	-70.5	-87.1	0	0	112.4	M42 R43 L48 K49 K50	M42-M46 PolarHBondContact O-N 2.61Å; R43-M46 PolarHBondContact O-N 3.28Å; M46-L48 VanDerWaalsContact C-N 3.34Å; M46-K49 PolarHBondContact O-N 2.79Å; M46-K49 HydrophobicContact SD-CD 4.48Å; M46-K50 PolarHBondContact O-N 3.14Å
47	K	48.6	Very low	46.6	Very low	133 Å²	133	79.7 Å²	79.7	58%	0.578	38%	0.377	S	S	*	.	H	α-helix	trans	-60.1	-45.7	173.9	-176.6	-178.9	174.9	-174.2	0	111.1	R43 K49 K50 E51	R43-K47 PolarHBondContact O-N 3.23Å; K47-K49 PolarHBondContact O-N 2.78Å; K47-K50 WeakPolarHBondContact O-CB 3.2Å; K47-K50 PolarHBondContact O-N 3.16Å; K47-E51 PolarHBondContact O-N 3.41Å; K47-E51 VanDerWaalsContact O-N 3.17Å
48	L	43.2	Very low	46.4	Very low	13 Å²	13	79.8 Å²	79.8	7%	0.068	38%	0.379	C	S	.	.	H	α-helix	trans	-61.4	-45.6	176.4	173.5	58.1	0	0	0	112.3	D44 S45 M46 K50 E51 M52 L127 L131 L195	D44-L48 WeakPolarHBondContact O-CB 2.89Å; D44-L48 PolarHBondContact O-N 3.5Å; S45-L48 PolarHBondContact O-N 2.86Å; M46-L48 VanDerWaalsContact C-N 3.34Å; L48-K50 PolarHBondContact O-N 2.94Å; L48-K50 VanDerWaalsContact O-N 3.14Å; L48-E51 PolarHBondContact O-N 3.47Å; L48-M52 HydrophobicContact CD1-CG 3.74Å; L48-M52 HydrophobicContact CD1-SD 4.17Å; L48-M52 HydrophobicContact CD2-SD 4.24Å; L48-M52 HydrophobicContact CG-CG 4.07Å; L48-M52 HydrophobicContact CG-SD 3.9Å; L48-M52 WeakPolarHBondContact O-CG 3.38Å; L48-M52 PolarHBondContact O-N 3.31Å; L48-L127 HydrophobicContact CD1-CD2 3.21Å; L48-L127 HydrophobicContact CD1-CG 4.14Å; L48-L127 HydrophobicContact CD2-CD2 3.76Å; L48-L127 HydrophobicContact CD2-CG 3.76Å; L48-L127 HydrophobicContact CG-CD2 4.05Å; L48-L131 HydrophobicContact CD2-CD1 3.06Å; L48-L131 HydrophobicContact CD2-CG 4.46Å; L48-L131 HydrophobicContact CG-CD1 4.42Å; L48-L195 HydrophobicContact CD2-CD2 4.44Å
49	K	44.1	Very low	46.3	Very low	111 Å²	111	80.2 Å²	80.2	48%	0.483	38%	0.381	S	S	.	.	H	α-helix	trans	-52.8	-39.3	179	-177.3	179.3	177.5	-179.8	0	111.3	S45 M46 K47 I53	S45-K49 PolarHBondContact O-N 3.39Å; M46-K49 PolarHBondContact O-N 2.79Å; M46-K49 HydrophobicContact SD-CD 4.48Å; K47-K49 PolarHBondContact O-N 2.78Å; K49-I53 HydrophobicContact CG-CD1 4.46Å; K49-I53 WeakPolarHBondContact O-CG1 3.42Å; K49-I53 PolarHBondContact O-N 2.92Å
50	K	50	Low	45.6	Very low	145 Å²	145	81.1 Å²	81.1	63%	0.63	39%	0.385	S	S	*	.	H	α-helix	trans	-65.1	-50.3	174.9	-172.4	179.6	177.5	-179	0	112.2	M46 K47 L48 M52 I53 D54	M46-K50 PolarHBondContact O-N 3.14Å; K47-K50 WeakPolarHBondContact O-CB 3.2Å; K47-K50 PolarHBondContact O-N 3.16Å; L48-K50 PolarHBondContact O-N 2.94Å; L48-K50 VanDerWaalsContact O-N 3.14Å; K50-M52 VanDerWaalsContact C-N 3.26Å; K50-M52 PolarHBondContact O-N 3.12Å; K50-I53 PolarHBondContact O-N 2.65Å; K50-I53 VanDerWaalsContact O-N 3.08Å; K50-D54 PolarHBondContact O-N 2.88Å; K50-D54 VanDerWaalsContact O-N 3.1Å
51	E	45.1	Very low	45.1	Very low	92 Å²	92	85.8 Å²	85.8	43%	0.43	40%	0.399	S	S	.	.	H	α-helix	trans	-58.7	-37.4	178.6	-69.5	179.2	-172.7	0	0	112.5	K47 L48 D54 L55	K47-E51 PolarHBondContact O-N 3.41Å; K47-E51 VanDerWaalsContact O-N 3.17Å; L48-E51 PolarHBondContact O-N 3.47Å; E51-D54 PolarHBondContact O-N 3.44Å; E51-L55 WeakPolarHBondContact O-CB 3.25Å; E51-L55 WeakPolarHBondContact O-CG 3.3Å; E51-L55 PolarHBondContact O-N 3.39Å; E51-L55 VanDerWaalsContact O-N 3.1Å
52	M	42.9	Very low	44.8	Very low	11 Å²	11	87.2 Å²	87.2	5%	0.054	41%	0.406	C	S	.	.	H	α-helix	trans	-66.1	-36.2	176.2	-67.7	176.3	109.1	0	0	113	L48 K50 L56 T124 I198	L48-M52 HydrophobicContact CD1-CG 3.74Å; L48-M52 HydrophobicContact CD1-SD 4.17Å; L48-M52 HydrophobicContact CD2-SD 4.24Å; L48-M52 HydrophobicContact CG-CG 4.07Å; L48-M52 HydrophobicContact CG-SD 3.9Å; L48-M52 WeakPolarHBondContact O-CG 3.38Å; L48-M52 PolarHBondContact O-N 3.31Å; K50-M52 VanDerWaalsContact C-N 3.26Å; K50-M52 PolarHBondContact O-N 3.12Å; M52-L56 WeakPolarHBondContact O-CG 3.02Å; M52-L56 PolarHBondContact O-N 2.87Å; M52-T124 HydrophobicContact CE-CG2 3.28Å; M52-T124 HydrophobicContact CG-CG2 4.42Å; M52-I198 HydrophobicContact CE-CB 3.94Å; M52-I198 HydrophobicContact CE-CD1 4Å; M52-I198 HydrophobicContact CE-CG2 3.22Å; M52-I198 HydrophobicContact SD-CD1 3.7Å; M52-I198 HydrophobicContact SD-CG2 4.13Å
53	I	47.1	Very low	44.4	Very low	93 Å²	93	86.8 Å²	86.8	48%	0.477	40%	0.402	S	S	.	.	H	α-helix	trans	-67.8	-46.5	176.9	-70.3	167	0	0	0	109.9	K49 K50 L55 L56 D57	K49-I53 HydrophobicContact CG-CD1 4.46Å; K49-I53 WeakPolarHBondContact O-CG1 3.42Å; K49-I53 PolarHBondContact O-N 2.92Å; K50-I53 PolarHBondContact O-N 2.65Å; K50-I53 VanDerWaalsContact O-N 3.08Å; I53-L55 PolarHBondContact O-N 2.94Å; I53-L56 PolarHBondContact O-N 3.35Å; I53-L56 VanDerWaalsContact O-N 3.11Å; I53-D57 PolarHBondContact O-N 2.83Å; I53-D57 VanDerWaalsContact O-N 3.1Å
54	D	47.2	Very low	43.8	Very low	78 Å²	78	85.1 Å²	85.1	42%	0.417	41%	0.409	S	S	.	.	H	α-helix	trans	-58.7	-37.2	178.3	-69.5	-19.3	0	0	0	111.4	K50 E51 D57 Q58	K50-D54 PolarHBondContact O-N 2.88Å; K50-D54 VanDerWaalsContact O-N 3.1Å; E51-D54 PolarHBondContact O-N 3.44Å; D54-D57 PolarHBondContact O-N 2.87Å; D54-Q58 WeakPolarHBondContact O-CG 3.23Å; D54-Q58 PolarHBondContact O-N 3.45Å
55	L	42.7	Very low	43.4	Very low	38 Å²	38	83.4 Å²	83.4	20%	0.199	41%	0.409	C	S	.	.	H	α-helix	trans	-65.5	-42.2	175.5	-85	164.9	0	0	0	114.1	E51 I53 D57 Q58 M59 L120	E51-L55 WeakPolarHBondContact O-CB 3.25Å; E51-L55 WeakPolarHBondContact O-CG 3.3Å; E51-L55 PolarHBondContact O-N 3.39Å; E51-L55 VanDerWaalsContact O-N 3.1Å; I53-L55 PolarHBondContact O-N 2.94Å; L55-D57 VanDerWaalsContact C-N 3.27Å; L55-D57 PolarHBondContact O-N 3.36Å; L55-Q58 PolarHBondContact O-N 2.77Å; L55-M59 WeakPolarHBondContact O-CG 3.35Å; L55-M59 PolarHBondContact O-N 3.3Å; L55-L120 HydrophobicContact CD1-CD2 3.93Å; L55-L120 HydrophobicContact CD2-CB 4.28Å; L55-L120 HydrophobicContact CD2-CD1 3.31Å; L55-L120 HydrophobicContact CD2-CD2 3.18Å; L55-L120 HydrophobicContact CD2-CG 3.71Å; L55-L120 HydrophobicContact CG-CD2 4.19Å
56	L	43.5	Very low	43.3	Very low	67 Å²	67	84 Å²	84	35%	0.351	41%	0.41	S	S	.	.	H	α-helix	trans	-62.5	-38.4	175.7	-75.8	168	0	0	0	111.3	M52 I53 M59 H60 Y205	M52-L56 WeakPolarHBondContact O-CG 3.02Å; M52-L56 PolarHBondContact O-N 2.87Å; I53-L56 PolarHBondContact O-N 3.35Å; I53-L56 VanDerWaalsContact O-N 3.11Å; L56-M59 PolarHBondContact O-N 2.98Å; L56-H60 PolarHBondContact O-N 2.98Å; L56-Y205 HydrophobicContact CD2-CD2 4.13Å
57	D	45.5	Very low	42.8	Very low	92 Å²	92	79.2 Å²	79.2	49%	0.492	39%	0.388	S	S	.	.	H	α-helix	trans	-66.1	-43.1	176.9	-104.2	18.4	0	0	0	112.2	I53 D54 L55 M59 H60 R61	I53-D57 PolarHBondContact O-N 2.83Å; I53-D57 VanDerWaalsContact O-N 3.1Å; D54-D57 PolarHBondContact O-N 2.87Å; L55-D57 VanDerWaalsContact C-N 3.27Å; L55-D57 PolarHBondContact O-N 3.36Å; D57-M59 PolarHBondContact O-N 2.93Å; D57-H60 PolarHBondContact O-N 3.15Å; D57-H60 VanDerWaalsContact O-N 3.17Å; D57-R61 WeakPolarHBondContact O-CG 3.2Å; D57-R61 PolarHBondContact O-N 3.31Å
58	Q	42.5	Very low	42.7	Very low	109 Å²	109	73.7 Å²	73.7	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-62.1	-42.9	174.7	-70.6	177.1	28.9	0	0	112	D54 L55 H60 R61 L62	D54-Q58 WeakPolarHBondContact O-CG 3.23Å; D54-Q58 PolarHBondContact O-N 3.45Å; L55-Q58 PolarHBondContact O-N 2.77Å; Q58-H60 VanDerWaalsContact C-N 3.28Å; Q58-H60 PolarHBondContact O-N 3.01Å; Q58-R61 PolarHBondContact O-N 2.94Å; Q58-L62 PolarHBondContact O-N 3.36Å; Q58-L62 VanDerWaalsContact O-N 3.08Å
59	M	41.8	Very low	42.5	Very low	21 Å²	21	77.9 Å²	77.9	10%	0.103	38%	0.384	C	S	.	.	H	α-helix	trans	-61.1	-36.7	173.7	-76.9	-178	49.7	0	0	112.4	L55 L56 D57 L62 K63 V117 V206	L55-M59 WeakPolarHBondContact O-CG 3.35Å; L55-M59 PolarHBondContact O-N 3.3Å; L56-M59 PolarHBondContact O-N 2.98Å; D57-M59 PolarHBondContact O-N 2.93Å; M59-L62 PolarHBondContact O-N 3.42Å; M59-K63 PolarHBondContact O-N 3.5Å; M59-V117 HydrophobicContact CG-CG2 4.46Å; M59-V206 HydrophobicContact CE-CG2 3.95Å
60	H	39.3	Very low	42.2	Very low	108 Å²	108	77 Å²	77	50%	0.5	39%	0.385	S	S	.	.	H	α-helix	trans	-66.9	-37.7	176.7	-167.4	3	0	0	0	111.8	L56 D57 Q58 L62 K63	L56-H60 PolarHBondContact O-N 2.98Å; D57-H60 PolarHBondContact O-N 3.15Å; D57-H60 VanDerWaalsContact O-N 3.17Å; Q58-H60 VanDerWaalsContact C-N 3.28Å; Q58-H60 PolarHBondContact O-N 3.01Å; H60-L62 VanDerWaalsContact C-N 3.34Å; H60-K63 VanDerWaalsContact O-CB 3.24Å; H60-K63 WeakPolarHBondContact O-CB 3.21Å; H60-K63 PolarHBondContact O-N 3.38Å
61	R	40	Very low	41.8	Very low	192 Å²	192	70.2 Å²	70.2	73%	0.725	36%	0.355	S	S	*	.	H	α-helix	trans	-66.3	-35.7	175.1	-68	178.3	-175.8	-164.6	1.9	112.6	D57 Q58 T64	D57-R61 WeakPolarHBondContact O-CG 3.2Å; D57-R61 PolarHBondContact O-N 3.31Å; Q58-R61 PolarHBondContact O-N 2.94Å; R61-T64 PolarHBondContact O-N 3.49Å; R61-T64 PolarHBondContact O-OG1 2.83Å
62	L	40.9	Very low	41.4	Very low	60 Å²	60	67.7 Å²	67.7	31%	0.314	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-41.8	175.5	-75.4	158.5	0	0	0	111.3	Q58 M59 H60 T64 G65 F66 T113	Q58-L62 PolarHBondContact O-N 3.36Å; Q58-L62 VanDerWaalsContact O-N 3.08Å; M59-L62 PolarHBondContact O-N 3.42Å; H60-L62 VanDerWaalsContact C-N 3.34Å; L62-T64 PolarHBondContact O-N 3.5Å; L62-G65 PolarHBondContact O-N 3.34Å; L62-F66 VanDerWaalsContact C-CE2 3.43Å; L62-F66 HydrophobicContact CB-CE2 4.22Å; L62-F66 HydrophobicContact CB-CZ 4.18Å; L62-F66 HydrophobicContact CD2-CZ 4.32Å; L62-F66 WeakPolarHBondContact O-CD2 3.33Å; L62-F66 WeakPolarHBondContact O-CE2 3.46Å; L62-T113 HydrophobicContact CB-CG2 4.29Å; L62-T113 HydrophobicContact CD1-CG2 3.98Å; L62-T113 HydrophobicContact CD2-CG2 4.1Å; L62-T113 HydrophobicContact CG-CG2 4.35Å
63	K	38.5	Very low	41.3	Very low	87 Å²	87	74 Å²	74	38%	0.378	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-29.2	178.2	-175	-173.3	170.2	-166.4	0	114.9	M59 H60 L209	M59-K63 PolarHBondContact O-N 3.5Å; H60-K63 VanDerWaalsContact O-CB 3.24Å; H60-K63 WeakPolarHBondContact O-CB 3.21Å; H60-K63 PolarHBondContact O-N 3.38Å; K63-L209 HydrophobicContact CB-CD1 3.67Å; K63-L209 HydrophobicContact CG-CD1 3.77Å
64	T	40.1	Very low	41	Very low	117 Å²	117	73.7 Å²	73.7	72%	0.718	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.5	-172.2	46.1	0	0	0	0	115.6	R61 L62	R61-T64 PolarHBondContact O-N 3.49Å; R61-T64 PolarHBondContact O-OG1 2.83Å; L62-T64 PolarHBondContact O-N 3.5Å
65	G	37.1	Very low	40.6	Very low	41 Å²	41	71.1 Å²	71.1	42%	0.423	36%	0.355	S	S	.	.			trans	-143.7	93.8	179.3	0	0	0	0	0	113.2	L62	L62-G65 PolarHBondContact O-N 3.34Å
66	F	40.2	Very low	40.6	Very low	29 Å²	29	72.8 Å²	72.8	13%	0.127	36%	0.362	C	S	.	.			trans	-146.6	135	172.2	-73.7	-64.4	0	0	0	112.6	L62 T113 Y216	L62-F66 VanDerWaalsContact C-CE2 3.43Å; L62-F66 HydrophobicContact CB-CE2 4.22Å; L62-F66 HydrophobicContact CB-CZ 4.18Å; L62-F66 HydrophobicContact CD2-CZ 4.32Å; L62-F66 WeakPolarHBondContact O-CD2 3.33Å; L62-F66 WeakPolarHBondContact O-CE2 3.46Å; F66-T113 HydrophobicContact CE1-CG2 4.41Å; F66-T113 HydrophobicContact CZ-CG2 3.71Å; F66-T113 WeakPolarHBondContact CZ-OG1 3.19Å; F66-Y216 WeakPolarHBondContact O-CD1 3.15Å; F66-Y216 WeakPolarHBondContact O-CE1 3.27Å
67	V	39	Very low	40.7	Very low	27 Å²	27	75.7 Å²	75.7	16%	0.164	37%	0.374	C	S	.	.			trans	-131.6	146.6	166	-178.7	0	0	0	0	108.2	F102 M106 Y216	V67-F102 HydrophobicContact CG2-CE1 4.46Å; V67-M106 HydrophobicContact CB-SD 3.82Å; V67-M106 HydrophobicContact CG2-SD 4.17Å; V67-M106 PolarHBondContact N-SD 3.45Å; V67-M106 VanDerWaalsContact N-SD 3.39Å; V67-Y216 HydrophobicContact CG2-CE1 4.15Å
68	T	46.4	Very low	40.5	Very low	16 Å²	16	74.3 Å²	74.3	10%	0.098	36%	0.364	C	S	.	.			trans	-101.8	154.9	-165	48.8	0	0	0	0	114.5	N71 D217	T68-N71 PolarHBondContact OG1-ND2 2.87Å; T68-D217 WeakPolarHBondContact CB-OD1 3.45Å; T68-D217 HydrophobicContact CG2-CB 4.21Å; T68-D217 PolarHBondContact OG1-OD1 3.18Å
69	Q	38.1	Very low	40.4	Very low	102 Å²	102	71.2 Å²	71.2	48%	0.477	35%	0.349	S	S	.	.	S	Bend	trans	-82.4	-32	-173.9	-143.8	175.8	1.8	0	0	113.5	N71 F72 A107	Q69-N71 VanDerWaalsContact C-N 3.26Å; Q69-N71 PolarHBondContact O-N 2.9Å; Q69-F72 WeakPolarHBondContact O-CB 3.31Å; Q69-F72 PolarHBondContact O-N 3.25Å; Q69-A107 HydrophobicContact CG-CB 4.06Å
70	D	39.2	Very low	40.5	Very low	92 Å²	92	73.3 Å²	73.3	49%	0.492	37%	0.366	S	S	.	.	H	α-helix	trans	-66.2	-28.7	-175.4	-56.3	-24.6	0	0	0	112.8	F72	D70-F72 PolarHBondContact O-N 3.38Å
71	N	41	Very low	40.7	Very low	2 Å²	2	73.8 Å²	73.8	1%	0.011	37%	0.368	C	S	.	.	H	α-helix	trans	-68.4	-23.1	174.8	-67.9	-34.7	0	0	0	112.2	T68 Q69 L75 D217 R221 I224	T68-N71 PolarHBondContact OG1-ND2 2.87Å; Q69-N71 VanDerWaalsContact C-N 3.26Å; Q69-N71 PolarHBondContact O-N 2.9Å; N71-L75 VanDerWaalsContact O-CB 3.24Å; N71-L75 WeakPolarHBondContact O-CB 3.46Å; N71-L75 PolarHBondContact O-N 3.33Å; N71-L75 VanDerWaalsContact O-N 3.1Å; N71-D217 PolarHBondContact ND2-OD1 2.96Å; N71-R221 WeakPolarHBondContact OD1-CG 3.3Å; N71-I224 HydrophobicContact CB-CD1 3.71Å
72	F	36	Very low	40.6	Very low	40 Å²	40	66.3 Å²	66.3	18%	0.175	34%	0.342	C	S	.	.	H	α-helix	trans	-66.4	-40.9	-179	-177.4	-96.7	0	0	0	111.6	Q69 D70 L75 E76 Y99 R100 T103	Q69-F72 WeakPolarHBondContact O-CB 3.31Å; Q69-F72 PolarHBondContact O-N 3.25Å; D70-F72 PolarHBondContact O-N 3.38Å; F72-L75 PolarHBondContact O-N 3.2Å; F72-E76 HydrophobicContact CE1-CB 4.35Å; F72-E76 WeakPolarHBondContact CE1-OE2 3.07Å; F72-E76 WeakPolarHBondContact O-CB 3.32Å; F72-E76 PolarHBondContact O-N 3.43Å; F72-Y99 HydrophobicContact CD2-CD1 4.08Å; F72-Y99 HydrophobicContact CD2-CE1 4.12Å; F72-Y99 HydrophobicContact CE2-CD1 4.43Å; F72-R100 HydrophobicContact CE2-CB 4.06Å; F72-R100 HydrophobicContact CE2-CG 4.14Å; F72-R100 HydrophobicContact CZ-CB 4.31Å; F72-R100 HydrophobicContact CZ-CG 3.97Å; F72-T103 HydrophobicContact CD2-CG2 4.3Å
73	Q	40.7	Very low	40.4	Very low	143 Å²	143	65.2 Å²	65.2	67%	0.668	34%	0.34	S	S	*	.	H	α-helix	trans	-70.4	-43.7	-173.4	-145.2	164.4	7.3	0	0	111.2	E76 E77	Q73-E76 PolarHBondContact O-N 2.7Å; Q73-E77 PolarHBondContact O-N 3.34Å; Q73-E77 VanDerWaalsContact O-N 3.08Å
74	E	42	Very low	40.8	Very low	86 Å²	86	65 Å²	65	40%	0.402	36%	0.355	S	S	.	.	H	α-helix	trans	-62.8	-44.1	171.9	-77	-179.6	173.2	0	0	111.2	E76 E77 H78	E74-E76 PolarHBondContact O-N 2.89Å; E74-E77 PolarHBondContact O-N 3.44Å; E74-H78 WeakPolarHBondContact O-CB 3.21Å; E74-H78 PolarHBondContact O-CD2 3.48Å; E74-H78 PolarHBondContact O-N 2.87Å
75	L	39	Very low	40.8	Very low	24 Å²	24	64.7 Å²	64.7	13%	0.126	35%	0.348	C	S	.	.	H	α-helix	trans	-66.1	-40.5	-179.6	-147.1	92.2	0	0	0	112.1	N71 F72 H78 F79 Y99 I224	N71-L75 VanDerWaalsContact O-CB 3.24Å; N71-L75 WeakPolarHBondContact O-CB 3.46Å; N71-L75 PolarHBondContact O-N 3.33Å; N71-L75 VanDerWaalsContact O-N 3.1Å; F72-L75 PolarHBondContact O-N 3.2Å; L75-H78 PolarHBondContact O-N 3.05Å; L75-F79 HydrophobicContact CB-CD2 4.5Å; L75-F79 HydrophobicContact CD1-CE2 4.3Å; L75-F79 HydrophobicContact CD2-CD2 3.81Å; L75-F79 HydrophobicContact CD2-CE2 3.53Å; L75-F79 HydrophobicContact CG-CD2 3.64Å; L75-F79 HydrophobicContact CG-CE2 3.58Å; L75-F79 VanDerWaalsContact O-CB 3.3Å; L75-F79 WeakPolarHBondContact O-CB 3.49Å; L75-F79 VanDerWaalsContact O-CD2 3.23Å; L75-F79 WeakPolarHBondContact O-CD2 3.49Å; L75-F79 PolarHBondContact O-N 2.86Å; L75-Y99 HydrophobicContact CD2-CD1 4.26Å; L75-Y99 HydrophobicContact CD2-CE1 4.1Å; L75-I224 HydrophobicContact CD1-CB 4.36Å; L75-I224 HydrophobicContact CD1-CD1 4.08Å; L75-I224 HydrophobicContact CD1-CG1 3.94Å; L75-I224 HydrophobicContact CD1-CG2 3.55Å
76	E	41.2	Very low	41	Very low	74 Å²	74	67 Å²	67	35%	0.346	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-40.8	178.5	-172.9	173.7	-144.7	0	0	111.4	F72 Q73 E74 S80	F72-E76 HydrophobicContact CE1-CB 4.35Å; F72-E76 WeakPolarHBondContact CE1-OE2 3.07Å; F72-E76 WeakPolarHBondContact O-CB 3.32Å; F72-E76 PolarHBondContact O-N 3.43Å; Q73-E76 PolarHBondContact O-N 2.7Å; E74-E76 PolarHBondContact O-N 2.89Å; E76-S80 VanDerWaalsContact O-CB 3.22Å; E76-S80 WeakPolarHBondContact O-CB 2.98Å; E76-S80 PolarHBondContact O-N 2.99Å; E76-S80 PolarHBondContact O-OG 2.96Å
77	E	46.6	Very low	41	Very low	128 Å²	128	75 Å²	75	60%	0.598	39%	0.386	S	S	*	.	H	α-helix	trans	-61.6	-52	172.2	-89.4	-174.4	152.1	0	0	111.5	Q73 E74 F79 S80 Q81	Q73-E77 PolarHBondContact O-N 3.34Å; Q73-E77 VanDerWaalsContact O-N 3.08Å; E74-E77 PolarHBondContact O-N 3.44Å; E77-F79 VanDerWaalsContact C-N 3.31Å; E77-F79 PolarHBondContact O-N 3.23Å; E77-S80 PolarHBondContact O-N 3.13Å; E77-Q81 VanDerWaalsContact O-CG 3.29Å; E77-Q81 WeakPolarHBondContact O-CG 3.34Å; E77-Q81 PolarHBondContact O-N 3.36Å
78	H	41.1	Very low	40.8	Very low	63 Å²	63	79 Å²	79	29%	0.292	41%	0.406	S	S	.	.	H	α-helix	trans	-61.8	-38	-179.9	-87.1	-89.9	0	0	0	112.4	E74 L75 Q81 L82 L228	E74-H78 WeakPolarHBondContact O-CB 3.21Å; E74-H78 PolarHBondContact O-CD2 3.48Å; E74-H78 PolarHBondContact O-N 2.87Å; L75-H78 PolarHBondContact O-N 3.05Å; H78-Q81 WeakPolarHBondContact O-CB 3.47Å; H78-L82 PolarHBondContact O-N 2.84Å; H78-L228 HydrophobicContact CB-CD1 4.41Å; H78-L228 HydrophobicContact CB-CD2 3.58Å
79	F	40.6	Very low	40.5	Very low	44 Å²	44	80 Å²	80	19%	0.193	42%	0.416	C	S	.	.	H	α-helix	trans	-77.8	-32.7	178.4	-85.4	-61.6	0	0	0	113.8	L75 E77 Q81 L82 S83 V92 L96	L75-F79 HydrophobicContact CB-CD2 4.5Å; L75-F79 HydrophobicContact CD1-CE2 4.3Å; L75-F79 HydrophobicContact CD2-CD2 3.81Å; L75-F79 HydrophobicContact CD2-CE2 3.53Å; L75-F79 HydrophobicContact CG-CD2 3.64Å; L75-F79 HydrophobicContact CG-CE2 3.58Å; L75-F79 VanDerWaalsContact O-CB 3.3Å; L75-F79 WeakPolarHBondContact O-CB 3.49Å; L75-F79 VanDerWaalsContact O-CD2 3.23Å; L75-F79 WeakPolarHBondContact O-CD2 3.49Å; L75-F79 PolarHBondContact O-N 2.86Å; E77-F79 VanDerWaalsContact C-N 3.31Å; E77-F79 PolarHBondContact O-N 3.23Å; F79-Q81 VanDerWaalsContact C-N 3.26Å; F79-Q81 PolarHBondContact O-N 3.48Å; F79-L82 HydrophobicContact CD1-CB 4.38Å; F79-L82 HydrophobicContact CD1-CD1 3.84Å; F79-L82 HydrophobicContact CE1-CD1 4.14Å; F79-L82 WeakPolarHBondContact O-CB 3.41Å; F79-L82 PolarHBondContact O-N 2.95Å; F79-S83 WeakPolarHBondContact O-CB 3.33Å; F79-S83 PolarHBondContact O-N 2.95Å; F79-V92 HydrophobicContact CB-CG1 4.23Å; F79-V92 HydrophobicContact CD1-CG1 3.36Å; F79-V92 HydrophobicContact CE1-CG1 3.96Å; F79-V92 HydrophobicContact CG-CG1 4.09Å; F79-L96 HydrophobicContact CB-CD1 3.91Å; F79-L96 HydrophobicContact CB-CD2 3.81Å; F79-L96 HydrophobicContact CB-CG 4.19Å; F79-L96 HydrophobicContact CD2-CD2 3.62Å; F79-L96 HydrophobicContact CD2-CG 4.41Å; F79-L96 HydrophobicContact CE2-CD2 4.41Å; F79-L96 HydrophobicContact CG-CD1 4.48Å; F79-L96 HydrophobicContact CG-CD2 3.88Å; F79-L96 HydrophobicContact CG-CG 4.3Å
80	S	44.3	Very low	40.6	Very low	65 Å²	65	82.3 Å²	82.3	46%	0.455	43%	0.427	S	S	.	.	H	α-helix	trans	-59.9	-43.3	171.3	-65	0	0	0	0	109.9	E76 E77 L82 S83 A84	E76-S80 VanDerWaalsContact O-CB 3.22Å; E76-S80 WeakPolarHBondContact O-CB 2.98Å; E76-S80 PolarHBondContact O-N 2.99Å; E76-S80 PolarHBondContact O-OG 2.96Å; E77-S80 PolarHBondContact O-N 3.13Å; S80-L82 PolarHBondContact O-N 3.31Å; S80-S83 PolarHBondContact O-N 3.36Å; S80-S83 PolarHBondContact O-OG 3.47Å; S80-A84 PolarHBondContact O-N 3.5Å
81	Q	43.4	Very low	40.6	Very low	117 Å²	117	81.5 Å²	81.5	55%	0.547	43%	0.426	S	S	.	.	H	α-helix	trans	-59.5	-44.3	172.4	-67.8	169.5	10.1	0	0	112.1	E77 H78 F79 A84	E77-Q81 VanDerWaalsContact O-CG 3.29Å; E77-Q81 WeakPolarHBondContact O-CG 3.34Å; E77-Q81 PolarHBondContact O-N 3.36Å; H78-Q81 WeakPolarHBondContact O-CB 3.47Å; F79-Q81 VanDerWaalsContact C-N 3.26Å; F79-Q81 PolarHBondContact O-N 3.48Å; Q81-A84 PolarHBondContact O-N 3.37Å
82	L	37.9	Very low	40.4	Very low	35 Å²	35	82.5 Å²	82.5	18%	0.183	43%	0.432	C	S	.	.	H	α-helix	trans	-64	-43.4	177.1	-92.3	151.6	0	0	0	113.8	H78 F79 S80 A84 L85 V231 M235	H78-L82 PolarHBondContact O-N 2.84Å; F79-L82 HydrophobicContact CD1-CB 4.38Å; F79-L82 HydrophobicContact CD1-CD1 3.84Å; F79-L82 HydrophobicContact CE1-CD1 4.14Å; F79-L82 WeakPolarHBondContact O-CB 3.41Å; F79-L82 PolarHBondContact O-N 2.95Å; S80-L82 PolarHBondContact O-N 3.31Å; L82-A84 PolarHBondContact O-N 3.47Å; L82-L85 PolarHBondContact O-N 2.98Å; L82-V231 HydrophobicContact CD1-CG1 3.72Å; L82-V231 HydrophobicContact CD2-CG1 3.35Å; L82-V231 HydrophobicContact CG-CG1 4.04Å; L82-M235 HydrophobicContact CD2-SD 3.89Å
83	S	36.1	Very low	40.9	Very low	38 Å²	38	85.3 Å²	85.3	27%	0.266	45%	0.446	S	S	.	.	H	α-helix	trans	-65.5	-29.1	-178.1	74.1	0	0	0	0	112.5	F79 S80 L85	F79-S83 WeakPolarHBondContact O-CB 3.33Å; F79-S83 PolarHBondContact O-N 2.95Å; S80-S83 PolarHBondContact O-N 3.36Å; S80-S83 PolarHBondContact O-OG 3.47Å; S83-L85 VanDerWaalsContact C-N 3.26Å; S83-L85 PolarHBondContact O-N 2.86Å
84	A	45.9	Very low	41	Very low	83 Å²	83	81.1 Å²	81.1	69%	0.686	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.3	175.4	0	0	0	0	0	112.8	S80 Q81 L82	S80-A84 PolarHBondContact O-N 3.5Å; Q81-A84 PolarHBondContact O-N 3.37Å; L82-A84 PolarHBondContact O-N 3.47Å
85	L	41.1	Very low	40.8	Very low	110 Å²	110	81.6 Å²	81.6	58%	0.576	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-54.7	-167.4	-82	166.9	0	0	0	114.7	L82 S83 M235	L82-L85 PolarHBondContact O-N 2.98Å; S83-L85 VanDerWaalsContact C-N 3.26Å; S83-L85 PolarHBondContact O-N 2.86Å; L85-M235 HydrophobicContact CD1-SD 4.17Å
86	M	40.8	Very low	40.9	Very low	89 Å²	89	82.1 Å²	82.1	44%	0.438	45%	0.447	S	S	.	.	S	Bend	trans	-160.8	124	-175.7	-62.7	-161.2	86.9	0	0	112.4	L88 Y238	M86-L88 WeakPolarHBondContact O-CB 3.32Å; M86-L88 PolarHBondContact O-N 2.83Å; M86-Y238 HydrophobicContact CE-CE1 3.49Å; M86-Y238 VanDerWaalsContact CE-CE1 3.49Å; M86-Y238 WeakPolarHBondContact CE-OH 3.48Å; M86-Y238 HydrophobicContact SD-CD1 3.63Å; M86-Y238 HydrophobicContact SD-CE1 3.11Å; M86-Y238 WeakPolarHBondContact SD-CE1 3.36Å
87	E	39.8	Very low	41.2	Very low	196 Å²	196	88.1 Å²	88.1	92%	0.916	47%	0.466	S	S	*	.	S	Bend	trans	35	-0.7	159.7	-71.7	-175.2	157.9	0	0	121.6
88	L	35.5	Very low	41	Very low	113 Å²	113	86.1 Å²	86.1	59%	0.592	47%	0.466	S	S	*	.			trans	-109.5	10.4	-177.6	-72.1	165.4	0	0	0	111.1	M86 H90 P91 V92	M86-L88 WeakPolarHBondContact O-CB 3.32Å; M86-L88 PolarHBondContact O-N 2.83Å; L88-H90 PolarHBondContact O-N 3.4Å; L88-H90 VanDerWaalsContact O-N 3.15Å; L88-P91 HydrophobicContact CD2-CG 4.35Å; L88-P91 VanDerWaalsContact O-CD 3.26Å; L88-P91 WeakPolarHBondContact O-CD 3.19Å; L88-V92 HydrophobicContact CB-CG2 4.46Å; L88-V92 WeakPolarHBondContact O-CB 3.43Å; L88-V92 VanDerWaalsContact O-CG2 3.29Å; L88-V92 WeakPolarHBondContact O-CG2 3.04Å; L88-V92 PolarHBondContact O-N 3.49Å; L88-V92 VanDerWaalsContact O-N 3.11Å
89	A	39.4	Very low	41	Very low	36 Å²	36	86 Å²	86	30%	0.298	46%	0.464	S	S	.	.	H	α-helix	trans	-52.7	-39.7	-179.2	0	0	0	0	0	111.6	Q93	A89-Q93 VanDerWaalsContact O-CB 3.26Å; A89-Q93 WeakPolarHBondContact O-CB 3.34Å; A89-Q93 WeakPolarHBondContact O-CG 3.33Å; A89-Q93 PolarHBondContact O-N 3.49Å
90	H	40.9	Very low	41	Very low	151 Å²	151	91.6 Å²	91.6	70%	0.699	48%	0.484	S	S	*	.	H	α-helix	trans	-71	-52.1	-177.3	-119.7	-58.4	0	0	0	114.3	L88 V92 Q93 A94	L88-H90 PolarHBondContact O-N 3.4Å; L88-H90 VanDerWaalsContact O-N 3.15Å; H90-V92 VanDerWaalsContact C-N 3.28Å; H90-V92 PolarHBondContact O-N 2.89Å; H90-Q93 PolarHBondContact O-N 3.22Å; H90-A94 PolarHBondContact O-N 3.41Å
91	P	40.2	Very low	40.9	Very low	74 Å²	74	93 Å²	93	48%	0.481	49%	0.489	S	S	.	.	H	α-helix	trans	-56.5	-42.2	173.7	-26.6	32.4	0	0	0	112.8	L88 A94 V95	L88-P91 HydrophobicContact CD2-CG 4.35Å; L88-P91 VanDerWaalsContact O-CD 3.26Å; L88-P91 WeakPolarHBondContact O-CD 3.19Å; P91-A94 PolarHBondContact O-N 2.94Å; P91-V95 WeakPolarHBondContact O-CG2 3.47Å; P91-V95 PolarHBondContact O-N 3.09Å
92	V	36.9	Very low	40.7	Very low	23 Å²	23	92.1 Å²	92.1	14%	0.139	48%	0.484	C	S	.	.	H	α-helix	trans	-62.9	-47.3	177.3	171.2	0	0	0	0	110.8	F79 L88 H90 A94 V95 L96	F79-V92 HydrophobicContact CB-CG1 4.23Å; F79-V92 HydrophobicContact CD1-CG1 3.36Å; F79-V92 HydrophobicContact CE1-CG1 3.96Å; F79-V92 HydrophobicContact CG-CG1 4.09Å; L88-V92 HydrophobicContact CB-CG2 4.46Å; L88-V92 WeakPolarHBondContact O-CB 3.43Å; L88-V92 VanDerWaalsContact O-CG2 3.29Å; L88-V92 WeakPolarHBondContact O-CG2 3.04Å; L88-V92 PolarHBondContact O-N 3.49Å; L88-V92 VanDerWaalsContact O-N 3.11Å; H90-V92 VanDerWaalsContact C-N 3.28Å; H90-V92 PolarHBondContact O-N 2.89Å; V92-A94 VanDerWaalsContact C-N 3.34Å; V92-A94 PolarHBondContact O-N 3.39Å; V92-V95 PolarHBondContact O-N 3.08Å; V92-L96 HydrophobicContact CG1-CD1 4.09Å; V92-L96 HydrophobicContact CG1-CG 4.43Å; V92-L96 WeakPolarHBondContact O-CG 3.47Å; V92-L96 PolarHBondContact O-N 3.04Å
93	Q	44.7	Very low	40.7	Very low	100 Å²	100	91.1 Å²	91.1	47%	0.467	48%	0.479	S	S	.	.	H	α-helix	trans	-62.9	-35.5	177.5	-80.5	-176	0	0	0	113.6	A89 H90 L96 R97	A89-Q93 VanDerWaalsContact O-CB 3.26Å; A89-Q93 WeakPolarHBondContact O-CB 3.34Å; A89-Q93 WeakPolarHBondContact O-CG 3.33Å; A89-Q93 PolarHBondContact O-N 3.49Å; H90-Q93 PolarHBondContact O-N 3.22Å; Q93-L96 PolarHBondContact O-N 2.96Å; Q93-R97 PolarHBondContact O-N 2.9Å
94	A	44.2	Very low	40.9	Very low	55 Å²	55	91 Å²	91	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-66.1	-41.5	178.3	0	0	0	0	0	112	H90 P91 V92 S98	H90-A94 PolarHBondContact O-N 3.41Å; P91-A94 PolarHBondContact O-N 2.94Å; V92-A94 VanDerWaalsContact C-N 3.34Å; V92-A94 PolarHBondContact O-N 3.39Å; A94-S98 PolarHBondContact O-N 3.02Å; A94-S98 PolarHBondContact O-OG 2.68Å
95	V	37.8	Very low	40.6	Very low	95 Å²	95	92.8 Å²	92.8	58%	0.576	48%	0.478	S	S	*	.	H	α-helix	trans	-64.4	-45	172.9	176.1	0	0	0	0	110.2	P91 V92 R97 S98 Y99	P91-V95 WeakPolarHBondContact O-CG2 3.47Å; P91-V95 PolarHBondContact O-N 3.09Å; V92-V95 PolarHBondContact O-N 3.08Å; V95-R97 PolarHBondContact O-N 3.28Å; V95-S98 PolarHBondContact O-N 2.91Å; V95-Y99 WeakPolarHBondContact O-CB 3.2Å; V95-Y99 PolarHBondContact O-N 3.1Å
96	L	41.5	Very low	40.7	Very low	35 Å²	35	89.3 Å²	89.3	18%	0.183	46%	0.459	C	S	.	.	H	α-helix	trans	-59.7	-45.1	178.2	-77.8	174.3	0	0	0	113.4	F79 V92 Q93 Y99 R100	F79-L96 HydrophobicContact CB-CD1 3.91Å; F79-L96 HydrophobicContact CB-CD2 3.81Å; F79-L96 HydrophobicContact CB-CG 4.19Å; F79-L96 HydrophobicContact CD2-CD2 3.62Å; F79-L96 HydrophobicContact CD2-CG 4.41Å; F79-L96 HydrophobicContact CE2-CD2 4.41Å; F79-L96 HydrophobicContact CG-CD1 4.48Å; F79-L96 HydrophobicContact CG-CD2 3.88Å; F79-L96 HydrophobicContact CG-CG 4.3Å; V92-L96 HydrophobicContact CG1-CD1 4.09Å; V92-L96 HydrophobicContact CG1-CG 4.43Å; V92-L96 WeakPolarHBondContact O-CG 3.47Å; V92-L96 PolarHBondContact O-N 3.04Å; Q93-L96 PolarHBondContact O-N 2.96Å; L96-Y99 PolarHBondContact O-N 3.3Å; L96-R100 WeakPolarHBondContact O-CB 3.41Å; L96-R100 PolarHBondContact O-N 3.36Å
97	R	46.9	Very low	40.8	Very low	200 Å²	200	85.7 Å²	85.7	76%	0.755	44%	0.443	S	S	*	.	H	α-helix	trans	-62.9	-47.7	179.5	-97.1	-174.9	178.5	170.7	1.3	111.9	Q93 V95 Y99 R100 V101	Q93-R97 PolarHBondContact O-N 2.9Å; V95-R97 PolarHBondContact O-N 3.28Å; R97-Y99 PolarHBondContact O-N 3.28Å; R97-R100 PolarHBondContact O-N 3.45Å; R97-V101 WeakPolarHBondContact O-CG2 3.37Å; R97-V101 PolarHBondContact O-N 2.87Å
98	S	42.3	Very low	40.9	Very low	86 Å²	86	83.2 Å²	83.2	60%	0.601	43%	0.432	S	S	*	.	H	α-helix	trans	-59.3	-39.1	178.2	-54.3	0	0	0	0	110.5	A94 V95 F102	A94-S98 PolarHBondContact O-N 3.02Å; A94-S98 PolarHBondContact O-OG 2.68Å; V95-S98 PolarHBondContact O-N 2.91Å; S98-F102 WeakPolarHBondContact O-CB 3.29Å; S98-F102 PolarHBondContact O-N 3.3Å
99	Y	40.6	Very low	41.1	Very low	61 Å²	61	79.5 Å²	79.5	24%	0.239	42%	0.417	C	S	.	.	H	α-helix	trans	-69.2	-43.7	175.9	-165.5	-107.5	0	0	0	112.8	F72 L75 V95 L96 R97 V101 F102 T103	F72-Y99 HydrophobicContact CD2-CD1 4.08Å; F72-Y99 HydrophobicContact CD2-CE1 4.12Å; F72-Y99 HydrophobicContact CE2-CD1 4.43Å; L75-Y99 HydrophobicContact CD2-CD1 4.26Å; L75-Y99 HydrophobicContact CD2-CE1 4.1Å; V95-Y99 WeakPolarHBondContact O-CB 3.2Å; V95-Y99 PolarHBondContact O-N 3.1Å; L96-Y99 PolarHBondContact O-N 3.3Å; R97-Y99 PolarHBondContact O-N 3.28Å; Y99-V101 VanDerWaalsContact C-N 3.34Å; Y99-V101 PolarHBondContact O-N 3.17Å; Y99-F102 CarbonylContact O-C 3.59Å; Y99-F102 PolarHBondContact O-N 3.41Å; Y99-F102 VanDerWaalsContact O-N 3.15Å; Y99-T103 HydrophobicContact CD1-CG2 3.73Å; Y99-T103 HydrophobicContact CD2-CG2 4.44Å; Y99-T103 HydrophobicContact CE1-CG2 3.36Å; Y99-T103 HydrophobicContact CE2-CG2 4.12Å; Y99-T103 HydrophobicContact CG-CG2 4.25Å; Y99-T103 WeakPolarHBondContact O-CG2 3.4Å; Y99-T103 PolarHBondContact O-N 2.93Å; Y99-T103 PolarHBondContact O-OG1 2.94Å; Y99-T103 VanDerWaalsContact O-OG1 3.05Å
100	R	40.9	Very low	41.2	Very low	162 Å²	162	80.7 Å²	80.7	61%	0.611	42%	0.416	S	S	*	.	H	α-helix	trans	-60.5	-40.5	178.7	-173.6	175.9	177.8	168.7	0.3	112.7	F72 L96 R97 T103 G104	F72-R100 HydrophobicContact CE2-CB 4.06Å; F72-R100 HydrophobicContact CE2-CG 4.14Å; F72-R100 HydrophobicContact CZ-CB 4.31Å; F72-R100 HydrophobicContact CZ-CG 3.97Å; L96-R100 WeakPolarHBondContact O-CB 3.41Å; L96-R100 PolarHBondContact O-N 3.36Å; R97-R100 PolarHBondContact O-N 3.45Å; R100-T103 WeakPolarHBondContact CA-OG1 3.44Å; R100-T103 PolarHBondContact O-OG1 3.32Å; R100-G104 PolarHBondContact O-N 3.16Å
101	V	42.4	Very low	41.4	Very low	93 Å²	93	77.9 Å²	77.9	56%	0.564	41%	0.405	S	S	*	.	H	α-helix	trans	-65	-45.4	175.2	174.8	0	0	0	0	110.1	R97 Y99 G104 Q105	R97-V101 WeakPolarHBondContact O-CG2 3.37Å; R97-V101 PolarHBondContact O-N 2.87Å; Y99-V101 VanDerWaalsContact C-N 3.34Å; Y99-V101 PolarHBondContact O-N 3.17Å; V101-G104 PolarHBondContact O-N 2.88Å; V101-Q105 WeakPolarHBondContact O-CG 3.45Å; V101-Q105 PolarHBondContact O-N 2.96Å
102	F	40	Very low	41.6	Very low	100 Å²	100	82.5 Å²	82.5	44%	0.439	41%	0.414	S	S	.	.	H	α-helix	trans	-65.4	-40.2	179	-172.1	-98.1	0	0	0	112.7	V67 S98 Y99 M106	V67-F102 HydrophobicContact CG2-CE1 4.46Å; S98-F102 WeakPolarHBondContact O-CB 3.29Å; S98-F102 PolarHBondContact O-N 3.3Å; Y99-F102 CarbonylContact O-C 3.59Å; Y99-F102 PolarHBondContact O-N 3.41Å; Y99-F102 VanDerWaalsContact O-N 3.15Å; F102-M106 HydrophobicContact CD1-CG 4.14Å; F102-M106 HydrophobicContact CE1-CG 3.93Å; F102-M106 HydrophobicContact CE1-SD 4.15Å; F102-M106 HydrophobicContact CZ-CE 4.18Å; F102-M106 HydrophobicContact CZ-CG 4.41Å; F102-M106 HydrophobicContact CZ-SD 4.4Å; F102-M106 WeakPolarHBondContact O-CB 3.2Å; F102-M106 WeakPolarHBondContact O-CG 3.4Å; F102-M106 PolarHBondContact O-N 2.9Å
103	T	37.8	Very low	41.8	Very low	13 Å²	13	81.9 Å²	81.9	8%	0.08	41%	0.411	C	S	.	.	H	α-helix	trans	-72.9	-35.6	178	53.4	0	0	0	0	112.9	F72 Y99 R100 M106 A107	F72-T103 HydrophobicContact CD2-CG2 4.3Å; Y99-T103 HydrophobicContact CD1-CG2 3.73Å; Y99-T103 HydrophobicContact CD2-CG2 4.44Å; Y99-T103 HydrophobicContact CE1-CG2 3.36Å; Y99-T103 HydrophobicContact CE2-CG2 4.12Å; Y99-T103 HydrophobicContact CG-CG2 4.25Å; Y99-T103 WeakPolarHBondContact O-CG2 3.4Å; Y99-T103 PolarHBondContact O-N 2.93Å; Y99-T103 PolarHBondContact O-OG1 2.94Å; Y99-T103 VanDerWaalsContact O-OG1 3.05Å; R100-T103 WeakPolarHBondContact CA-OG1 3.44Å; R100-T103 PolarHBondContact O-OG1 3.32Å; T103-M106 CarbonylContact O-C 3.58Å; T103-M106 WeakPolarHBondContact O-CB 3.47Å; T103-M106 PolarHBondContact O-N 3.42Å; T103-M106 VanDerWaalsContact O-N 3.14Å; T103-A107 WeakPolarHBondContact O-CB 3.43Å; T103-A107 PolarHBondContact O-N 2.87Å
104	G	39	Very low	41.8	Very low	35 Å²	35	79.9 Å²	79.9	36%	0.361	41%	0.406	S	S	.	.	H	α-helix	trans	-57.6	-49.6	172.5	0	0	0	0	0	111.4	R100 V101 M106 A107 E108	R100-G104 PolarHBondContact O-N 3.16Å; V101-G104 PolarHBondContact O-N 2.88Å; G104-M106 VanDerWaalsContact C-N 3.26Å; G104-M106 PolarHBondContact O-N 3.03Å; G104-A107 PolarHBondContact O-N 3.19Å; G104-E108 PolarHBondContact O-N 3.48Å
105	Q	40.9	Very low	41.9	Very low	121 Å²	121	84.7 Å²	84.7	57%	0.565	41%	0.413	S	S	*	.	H	α-helix	trans	-60.2	-35.5	174.3	-69.3	176.7	-15.8	0	0	112.3	V101 A109	V101-Q105 WeakPolarHBondContact O-CG 3.45Å; V101-Q105 PolarHBondContact O-N 2.96Å; Q105-A109 WeakPolarHBondContact O-CB 3.34Å; Q105-A109 PolarHBondContact O-N 3Å
106	M	42.9	Very low	42.3	Very low	38 Å²	38	82.1 Å²	82.1	19%	0.187	40%	0.398	C	S	.	.	H	α-helix	trans	-73.5	-38.6	177.9	-73.4	-100.3	121.5	0	0	113.7	V67 F102 T103 G104 E108 A109 K110	V67-M106 HydrophobicContact CB-SD 3.82Å; V67-M106 HydrophobicContact CG2-SD 4.17Å; V67-M106 PolarHBondContact N-SD 3.45Å; V67-M106 VanDerWaalsContact N-SD 3.39Å; F102-M106 HydrophobicContact CD1-CG 4.14Å; F102-M106 HydrophobicContact CE1-CG 3.93Å; F102-M106 HydrophobicContact CE1-SD 4.15Å; F102-M106 HydrophobicContact CZ-CE 4.18Å; F102-M106 HydrophobicContact CZ-CG 4.41Å; F102-M106 HydrophobicContact CZ-SD 4.4Å; F102-M106 WeakPolarHBondContact O-CB 3.2Å; F102-M106 WeakPolarHBondContact O-CG 3.4Å; F102-M106 PolarHBondContact O-N 2.9Å; T103-M106 CarbonylContact O-C 3.58Å; T103-M106 WeakPolarHBondContact O-CB 3.47Å; T103-M106 PolarHBondContact O-N 3.42Å; T103-M106 VanDerWaalsContact O-N 3.14Å; G104-M106 VanDerWaalsContact C-N 3.26Å; G104-M106 PolarHBondContact O-N 3.03Å; M106-E108 VanDerWaalsContact C-N 3.35Å; M106-A109 CarbonylContact O-C 3.6Å; M106-A109 WeakPolarHBondContact O-CB 3.38Å; M106-A109 PolarHBondContact O-N 3.42Å; M106-K110 PolarHBondContact O-N 3.09Å
107	A	42.4	Very low	42.5	Very low	12 Å²	12	81 Å²	81	10%	0.099	39%	0.392	C	S	.	.	H	α-helix	trans	-64.2	-44.3	178	0	0	0	0	0	110.5	Q69 T103 G104 A109 K110 L111	Q69-A107 HydrophobicContact CG-CB 4.06Å; T103-A107 WeakPolarHBondContact O-CB 3.43Å; T103-A107 PolarHBondContact O-N 2.87Å; G104-A107 PolarHBondContact O-N 3.19Å; A107-A109 VanDerWaalsContact C-N 3.31Å; A107-A109 PolarHBondContact O-N 3.29Å; A107-K110 PolarHBondContact O-N 2.96Å; A107-L111 WeakPolarHBondContact O-CB 3.41Å; A107-L111 PolarHBondContact O-N 3.21Å
108	E	41.4	Very low	42.8	Very low	144 Å²	144	76.3 Å²	76.3	67%	0.673	38%	0.379	S	S	*	.	H	α-helix	trans	-58.2	-44.6	170.2	-73.5	179.8	170.8	0	0	110.9	G104 M106 K110 L111 Y112	G104-E108 PolarHBondContact O-N 3.48Å; M106-E108 VanDerWaalsContact C-N 3.35Å; E108-K110 PolarHBondContact O-N 3.47Å; E108-L111 PolarHBondContact O-N 2.91Å; E108-Y112 WeakPolarHBondContact O-CB 2.98Å; E108-Y112 PolarHBondContact O-N 3.37Å
109	A	40.4	Very low	43.2	Very low	35 Å²	35	75.4 Å²	75.4	29%	0.289	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-37.4	177	0	0	0	0	0	113.3	Q105 M106 A107 T113	Q105-A109 WeakPolarHBondContact O-CB 3.34Å; Q105-A109 PolarHBondContact O-N 3Å; M106-A109 CarbonylContact O-C 3.6Å; M106-A109 WeakPolarHBondContact O-CB 3.38Å; M106-A109 PolarHBondContact O-N 3.42Å; A107-A109 VanDerWaalsContact C-N 3.31Å; A107-A109 PolarHBondContact O-N 3.29Å; A109-T113 VanDerWaalsContact O-CB 3.26Å; A109-T113 WeakPolarHBondContact O-CB 3.37Å; A109-T113 PolarHBondContact O-N 3.01Å; A109-T113 PolarHBondContact O-OG1 3.36Å
110	K	42.1	Very low	43.5	Very low	61 Å²	61	74.4 Å²	74.4	27%	0.265	37%	0.366	S	S	.	.	H	α-helix	trans	-68.2	-49	177.3	-176.8	-175.6	174.9	-170.3	0	110.8	M106 A107 E108 T113 T114 M213	M106-K110 PolarHBondContact O-N 3.09Å; A107-K110 PolarHBondContact O-N 2.96Å; E108-K110 PolarHBondContact O-N 3.47Å; K110-T113 PolarHBondContact O-N 3.45Å; K110-T114 PolarHBondContact O-N 2.91Å; K110-T114 PolarHBondContact O-OG1 3.18Å; K110-M213 HydrophobicContact CG-CE 4.44Å
111	L	45.1	Very low	44	Very low	92 Å²	92	68.8 Å²	68.8	48%	0.482	35%	0.348	S	S	.	.	H	α-helix	trans	-56.7	-53.1	174.4	-101.4	126.9	0	0	0	109.7	A107 E108 T113 T114 Y115	A107-L111 WeakPolarHBondContact O-CB 3.41Å; A107-L111 PolarHBondContact O-N 3.21Å; E108-L111 PolarHBondContact O-N 2.91Å; L111-T113 VanDerWaalsContact C-N 3.28Å; L111-T113 PolarHBondContact O-N 2.91Å; L111-T114 PolarHBondContact O-N 3.3Å; L111-Y115 HydrophobicContact CD2-CD2 4.05Å; L111-Y115 HydrophobicContact CD2-CE2 3.62Å; L111-Y115 WeakPolarHBondContact O-CB 3.43Å; L111-Y115 VanDerWaalsContact O-CD2 3.26Å; L111-Y115 WeakPolarHBondContact O-CD2 3.33Å; L111-Y115 PolarHBondContact O-N 3.42Å
112	Y	43.2	Very low	44.7	Very low	171 Å²	171	68.9 Å²	68.9	67%	0.671	35%	0.345	S	S	*	.	H	α-helix	trans	-57.1	-43.1	178.2	-167.9	-99.6	0	0	0	111.6	E108 V116	E108-Y112 WeakPolarHBondContact O-CB 2.98Å; E108-Y112 PolarHBondContact O-N 3.37Å; Y112-V116 HydrophobicContact CD1-CG2 3.83Å; Y112-V116 HydrophobicContact CD2-CG2 4.37Å; Y112-V116 HydrophobicContact CE1-CG2 3.59Å; Y112-V116 HydrophobicContact CE2-CG2 4.14Å; Y112-V116 HydrophobicContact CG-CG2 4.22Å; Y112-V116 WeakPolarHBondContact O-CB 3.44Å; Y112-V116 WeakPolarHBondContact O-CG2 3.48Å; Y112-V116 PolarHBondContact O-N 3.06Å
113	T	41.9	Very low	45.2	Very low	11 Å²	11	71.7 Å²	71.7	7%	0.067	35%	0.353	C	S	.	.	H	α-helix	trans	-66.7	-45.2	178.3	-55.4	0	0	0	0	112	L62 F66 A109 K110 L111 V116 V117	L62-T113 HydrophobicContact CB-CG2 4.29Å; L62-T113 HydrophobicContact CD1-CG2 3.98Å; L62-T113 HydrophobicContact CD2-CG2 4.1Å; L62-T113 HydrophobicContact CG-CG2 4.35Å; F66-T113 HydrophobicContact CE1-CG2 4.41Å; F66-T113 HydrophobicContact CZ-CG2 3.71Å; F66-T113 WeakPolarHBondContact CZ-OG1 3.19Å; A109-T113 VanDerWaalsContact O-CB 3.26Å; A109-T113 WeakPolarHBondContact O-CB 3.37Å; A109-T113 PolarHBondContact O-N 3.01Å; A109-T113 PolarHBondContact O-OG1 3.36Å; K110-T113 PolarHBondContact O-N 3.45Å; L111-T113 VanDerWaalsContact C-N 3.28Å; L111-T113 PolarHBondContact O-N 2.91Å; T113-V116 PolarHBondContact O-N 3.39Å; T113-V117 HydrophobicContact CG2-CG2 3.88Å; T113-V117 WeakPolarHBondContact O-CB 3.1Å; T113-V117 WeakPolarHBondContact O-CG2 3.14Å; T113-V117 PolarHBondContact O-N 2.87Å
114	T	44.9	Very low	45.8	Very low	58 Å²	58	71.8 Å²	71.8	36%	0.356	35%	0.353	S	S	.	.	H	α-helix	trans	-62.6	-47.4	178.1	-62.8	0	0	0	0	110.5	K110 L111 V117 E118	K110-T114 PolarHBondContact O-N 2.91Å; K110-T114 PolarHBondContact O-OG1 3.18Å; L111-T114 PolarHBondContact O-N 3.3Å; T114-V117 PolarHBondContact O-N 3.5Å; T114-E118 HydrophobicContact CG2-CG 4.39Å; T114-E118 VanDerWaalsContact O-CB 3.29Å; T114-E118 WeakPolarHBondContact O-CB 3.38Å; T114-E118 WeakPolarHBondContact O-CG 3.21Å; T114-E118 PolarHBondContact O-N 3.07Å
115	Y	46.5	Very low	46.6	Very low	155 Å²	155	74.7 Å²	74.7	61%	0.608	36%	0.358	S	S	*	.	H	α-helix	trans	-61.8	-45.5	177.1	-88.7	-81.5	0	0	0	112.3	L111 E118 D119	L111-Y115 HydrophobicContact CD2-CD2 4.05Å; L111-Y115 HydrophobicContact CD2-CE2 3.62Å; L111-Y115 WeakPolarHBondContact O-CB 3.43Å; L111-Y115 VanDerWaalsContact O-CD2 3.26Å; L111-Y115 WeakPolarHBondContact O-CD2 3.33Å; L111-Y115 PolarHBondContact O-N 3.42Å; Y115-E118 PolarHBondContact O-N 3.36Å; Y115-D119 VanDerWaalsContact O-CB 3.3Å; Y115-D119 WeakPolarHBondContact O-CB 3.35Å; Y115-D119 PolarHBondContact O-N 3.01Å
116	V	44.8	Very low	47.4	Very low	42 Å²	42	72.8 Å²	72.8	26%	0.255	36%	0.357	S	S	.	.	H	α-helix	trans	-65.6	-42.8	178.3	167.7	0	0	0	0	110.6	Y112 T113 L120	Y112-V116 HydrophobicContact CD1-CG2 3.83Å; Y112-V116 HydrophobicContact CD2-CG2 4.37Å; Y112-V116 HydrophobicContact CE1-CG2 3.59Å; Y112-V116 HydrophobicContact CE2-CG2 4.14Å; Y112-V116 HydrophobicContact CG-CG2 4.22Å; Y112-V116 WeakPolarHBondContact O-CB 3.44Å; Y112-V116 WeakPolarHBondContact O-CG2 3.48Å; Y112-V116 PolarHBondContact O-N 3.06Å; T113-V116 PolarHBondContact O-N 3.39Å; V116-L120 HydrophobicContact CG1-CD1 3.58Å; V116-L120 HydrophobicContact CG1-CG 4.41Å; V116-L120 WeakPolarHBondContact O-CB 3.36Å; V116-L120 WeakPolarHBondContact O-CD1 3.4Å; V116-L120 WeakPolarHBondContact O-CG 3.37Å; V116-L120 PolarHBondContact O-N 2.93Å
117	V	46.7	Very low	47.8	Very low	12 Å²	12	73.8 Å²	73.8	7%	0.073	36%	0.363	C	S	.	.	H	α-helix	trans	-65.8	-40.1	176.8	171.2	0	0	0	0	110.9	M59 T113 T114 L121 V206	M59-V117 HydrophobicContact CG-CG2 4.46Å; T113-V117 HydrophobicContact CG2-CG2 3.88Å; T113-V117 WeakPolarHBondContact O-CB 3.1Å; T113-V117 WeakPolarHBondContact O-CG2 3.14Å; T113-V117 PolarHBondContact O-N 2.87Å; T114-V117 PolarHBondContact O-N 3.5Å; V117-L121 HydrophobicContact CG1-CD1 3.84Å; V117-L121 HydrophobicContact CG1-CG 4.43Å; V117-L121 VanDerWaalsContact O-CB 3.27Å; V117-L121 WeakPolarHBondContact O-CB 3.43Å; V117-L121 WeakPolarHBondContact O-CD1 3.3Å; V117-L121 WeakPolarHBondContact O-CG 3.5Å; V117-L121 PolarHBondContact O-N 3.35Å; V117-V206 HydrophobicContact CG1-CG2 4.41Å
118	E	52.2	Low	48.3	Very low	100 Å²	100	73.9 Å²	73.9	47%	0.467	36%	0.363	S	S	.	.	H	α-helix	trans	-68.5	-43.3	175.9	-78.3	-177.4	178.1	0	0	112.8	T114 Y115 L121 N122	T114-E118 HydrophobicContact CG2-CG 4.39Å; T114-E118 VanDerWaalsContact O-CB 3.29Å; T114-E118 WeakPolarHBondContact O-CB 3.38Å; T114-E118 WeakPolarHBondContact O-CG 3.21Å; T114-E118 PolarHBondContact O-N 3.07Å; Y115-E118 PolarHBondContact O-N 3.36Å; E118-L121 WeakPolarHBondContact O-CA 3.45Å; E118-L121 VanDerWaalsContact O-CB 3.27Å; E118-L121 WeakPolarHBondContact O-CB 3.49Å; E118-L121 PolarHBondContact O-N 3.43Å; E118-L121 VanDerWaalsContact O-N 3.1Å; E118-N122 WeakPolarHBondContact O-CB 3.39Å; E118-N122 PolarHBondContact O-N 3.17Å; E118-N122 PolarHBondContact O-ND2 3.49Å
119	D	52.4	Low	49.2	Very low	68 Å²	68	69.8 Å²	69.8	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-63.8	-44.4	175	-174.6	34.7	0	0	0	110.5	Y115 L121 N122 R123	Y115-D119 VanDerWaalsContact O-CB 3.3Å; Y115-D119 WeakPolarHBondContact O-CB 3.35Å; Y115-D119 PolarHBondContact O-N 3.01Å; D119-L121 VanDerWaalsContact C-N 3.26Å; D119-L121 PolarHBondContact O-N 2.69Å; D119-N122 PolarHBondContact O-N 3.26Å; D119-R123 WeakPolarHBondContact O-CB 3.29Å; D119-R123 VanDerWaalsContact O-CG 3.29Å; D119-R123 WeakPolarHBondContact O-CG 3.43Å; D119-R123 PolarHBondContact O-N 3.27Å; D119-R123 IonicContact OD1-CZ 3.26Å; D119-R123 IonicContact OD1-NE 3.96Å; D119-R123 PolarHBondContact OD1-NE 2.93Å; D119-R123 VanDerWaalsContact OD1-NE 3.16Å; D119-R123 IonicContact OD1-NH2 3.09Å; D119-R123 IonicContact OD2-CZ 3.77Å; D119-R123 IonicContact OD2-NE 3.14Å; D119-R123 PolarHBondContact OD2-NE 2.91Å; D119-R123 IonicContact OD2-NH2 2.68Å; D119-R123 PolarHBondContact OD2-NH2 3.29Å
120	L	46.5	Very low	49.9	Very low	39 Å²	39	74.6 Å²	74.6	20%	0.204	37%	0.368	C	S	.	.	H	α-helix	trans	-63.8	-32.2	171.7	-73.5	165.7	0	0	0	112.4	L55 V116 T124 K202	L55-L120 HydrophobicContact CD1-CD2 3.93Å; L55-L120 HydrophobicContact CD2-CB 4.28Å; L55-L120 HydrophobicContact CD2-CD1 3.31Å; L55-L120 HydrophobicContact CD2-CD2 3.18Å; L55-L120 HydrophobicContact CD2-CG 3.71Å; L55-L120 HydrophobicContact CG-CD2 4.19Å; V116-L120 HydrophobicContact CG1-CD1 3.58Å; V116-L120 HydrophobicContact CG1-CG 4.41Å; V116-L120 WeakPolarHBondContact O-CB 3.36Å; V116-L120 WeakPolarHBondContact O-CD1 3.4Å; V116-L120 WeakPolarHBondContact O-CG 3.37Å; V116-L120 PolarHBondContact O-N 2.93Å; L120-T124 PolarHBondContact O-N 2.74Å; L120-T124 PolarHBondContact O-OG1 2.94Å; L120-K202 PolarHBondContact O-NZ 3.05Å
121	L	51.3	Low	50.4	Low	44 Å²	44	72.4 Å²	72.4	23%	0.23	36%	0.359	C	S	.	.	H	α-helix	trans	-59.8	-55.6	171.1	-81.9	159.5	0	0	0	111	V117 E118 D119 T124 E125 K202 V206	V117-L121 HydrophobicContact CG1-CD1 3.84Å; V117-L121 HydrophobicContact CG1-CG 4.43Å; V117-L121 VanDerWaalsContact O-CB 3.27Å; V117-L121 WeakPolarHBondContact O-CB 3.43Å; V117-L121 WeakPolarHBondContact O-CD1 3.3Å; V117-L121 WeakPolarHBondContact O-CG 3.5Å; V117-L121 PolarHBondContact O-N 3.35Å; E118-L121 WeakPolarHBondContact O-CA 3.45Å; E118-L121 VanDerWaalsContact O-CB 3.27Å; E118-L121 WeakPolarHBondContact O-CB 3.49Å; E118-L121 PolarHBondContact O-N 3.43Å; E118-L121 VanDerWaalsContact O-N 3.1Å; D119-L121 VanDerWaalsContact C-N 3.26Å; D119-L121 PolarHBondContact O-N 2.69Å; L121-T124 PolarHBondContact O-N 2.98Å; L121-E125 PolarHBondContact O-N 3.34Å; L121-K202 VanDerWaalsContact CA-NZ 3.26Å; L121-K202 HydrophobicContact CD2-CD 3.65Å; L121-K202 HydrophobicContact CD2-CG 3.87Å; L121-K202 PolarHBondContact O-NZ 2.82Å; L121-V206 HydrophobicContact CD1-CG1 4.41Å; L121-V206 HydrophobicContact CD1-CG2 4.14Å; L121-V206 HydrophobicContact CD2-CG2 4.14Å
122	N	56.6	Low	51.1	Low	95 Å²	95	70.2 Å²	70.2	51%	0.508	35%	0.35	S	S	.	.	H	α-helix	trans	-61.8	-48.3	-177.6	-66.5	-22.5	0	0	0	111.4	E118 D119 T124 E125 S126	E118-N122 WeakPolarHBondContact O-CB 3.39Å; E118-N122 PolarHBondContact O-N 3.17Å; E118-N122 PolarHBondContact O-ND2 3.49Å; D119-N122 PolarHBondContact O-N 3.26Å; N122-T124 PolarHBondContact O-N 3.16Å; N122-E125 PolarHBondContact O-N 2.88Å; N122-E125 VanDerWaalsContact O-N 3.12Å; N122-S126 PolarHBondContact O-N 2.85Å; N122-S126 PolarHBondContact O-OG 3.49Å; N122-S126 VanDerWaalsContact O-OG 3.11Å
123	R	49.9	Very low	52	Low	159 Å²	159	69.8 Å²	69.8	60%	0.6	35%	0.351	S	S	*	.	H	α-helix	trans	-59.5	-44.7	179.3	-70.9	179.8	-168	-157.4	7	112.5	D119 E125 L127	D119-R123 WeakPolarHBondContact O-CB 3.29Å; D119-R123 VanDerWaalsContact O-CG 3.29Å; D119-R123 WeakPolarHBondContact O-CG 3.43Å; D119-R123 PolarHBondContact O-N 3.27Å; D119-R123 IonicContact OD1-CZ 3.26Å; D119-R123 IonicContact OD1-NE 3.96Å; D119-R123 PolarHBondContact OD1-NE 2.93Å; D119-R123 VanDerWaalsContact OD1-NE 3.16Å; D119-R123 IonicContact OD1-NH2 3.09Å; D119-R123 IonicContact OD2-CZ 3.77Å; D119-R123 IonicContact OD2-NE 3.14Å; D119-R123 PolarHBondContact OD2-NE 2.91Å; D119-R123 IonicContact OD2-NH2 2.68Å; D119-R123 PolarHBondContact OD2-NH2 3.29Å; R123-E125 VanDerWaalsContact C-N 3.34Å; R123-L127 VanDerWaalsContact O-CB 3.26Å; R123-L127 WeakPolarHBondContact O-CB 3.26Å; R123-L127 PolarHBondContact O-N 3.34Å
124	T	50.6	Low	52.7	Low	15 Å²	15	70.7 Å²	70.7	9%	0.092	36%	0.36	C	S	.	.	H	α-helix	trans	-69.3	-33	177.1	-42.2	0	0	0	0	112.3	M52 L120 L121 N122 L127 T128 K202	M52-T124 HydrophobicContact CE-CG2 3.28Å; M52-T124 HydrophobicContact CG-CG2 4.42Å; L120-T124 PolarHBondContact O-N 2.74Å; L120-T124 PolarHBondContact O-OG1 2.94Å; L121-T124 PolarHBondContact O-N 2.98Å; N122-T124 PolarHBondContact O-N 3.16Å; T124-L127 PolarHBondContact O-N 3.31Å; T124-T128 WeakPolarHBondContact O-CB 3.36Å; T124-T128 PolarHBondContact O-N 3.36Å; T124-T128 PolarHBondContact O-OG1 3.12Å; T124-K202 PolarHBondContact OG1-NZ 3.05Å
125	E	56.7	Low	53.2	Low	97 Å²	97	68.3 Å²	68.3	45%	0.453	35%	0.345	S	S	.	.	H	α-helix	trans	-67.4	-46.2	176.1	-179.3	154.8	-141.9	0	0	111	L121 N122 R123 L127 T128 A129 K199	L121-E125 PolarHBondContact O-N 3.34Å; N122-E125 PolarHBondContact O-N 2.88Å; N122-E125 VanDerWaalsContact O-N 3.12Å; R123-E125 VanDerWaalsContact C-N 3.34Å; E125-L127 VanDerWaalsContact C-N 3.26Å; E125-L127 PolarHBondContact O-N 3.45Å; E125-T128 PolarHBondContact O-N 3.43Å; E125-A129 WeakPolarHBondContact O-CB 3.35Å; E125-A129 PolarHBondContact O-N 3Å; E125-K199 WeakPolarHBondContact OE1-CE 3.49Å; E125-K199 IonicContact OE1-NZ 2.74Å; E125-K199 PolarHBondContact OE1-NZ 3.43Å
126	S	56.3	Low	54	Low	80 Å²	80	65.3 Å²	65.3	56%	0.559	34%	0.335	S	S	*	.	H	α-helix	trans	-56	-43.3	172	-60.6	0	0	0	0	111.6	N122 A129 F130	N122-S126 PolarHBondContact O-N 2.85Å; N122-S126 PolarHBondContact O-OG 3.49Å; N122-S126 VanDerWaalsContact O-OG 3.11Å; S126-A129 PolarHBondContact O-N 3.12Å; S126-F130 WeakPolarHBondContact O-CB 3.42Å; S126-F130 PolarHBondContact O-N 2.91Å
127	L	51.3	Low	54.9	Low	59 Å²	59	66.1 Å²	66.1	31%	0.309	34%	0.342	S	S	.	.	H	α-helix	trans	-71.4	-40.9	-178.8	-173.2	54.8	0	0	0	112.9	L48 R123 T124 E125 A129 F130 L131	L48-L127 HydrophobicContact CD1-CD2 3.21Å; L48-L127 HydrophobicContact CD1-CG 4.14Å; L48-L127 HydrophobicContact CD2-CD2 3.76Å; L48-L127 HydrophobicContact CD2-CG 3.76Å; L48-L127 HydrophobicContact CG-CD2 4.05Å; R123-L127 VanDerWaalsContact O-CB 3.26Å; R123-L127 WeakPolarHBondContact O-CB 3.26Å; R123-L127 PolarHBondContact O-N 3.34Å; T124-L127 PolarHBondContact O-N 3.31Å; E125-L127 VanDerWaalsContact C-N 3.26Å; E125-L127 PolarHBondContact O-N 3.45Å; L127-A129 VanDerWaalsContact C-N 3.3Å; L127-A129 PolarHBondContact O-N 3.48Å; L127-F130 HydrophobicContact CD1-CD1 4.32Å; L127-F130 PolarHBondContact O-N 3.48Å; L127-L131 HydrophobicContact CD1-CD1 4.39Å; L127-L131 HydrophobicContact CD1-CG 4.38Å; L127-L131 HydrophobicContact CG-CD1 4.3Å; L127-L131 WeakPolarHBondContact O-CB 3.38Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 2.7Å
128	T	53.1	Low	55.5	Low	15 Å²	15	66.2 Å²	66.2	9%	0.092	35%	0.345	C	S	.	.	H	α-helix	trans	-59.9	-43.4	172.2	-57.3	0	0	0	0	110.9	T124 E125 L131 T132 L195	T124-T128 WeakPolarHBondContact O-CB 3.36Å; T124-T128 PolarHBondContact O-N 3.36Å; T124-T128 PolarHBondContact O-OG1 3.12Å; E125-T128 PolarHBondContact O-N 3.43Å; T128-L131 PolarHBondContact O-N 2.89Å; T128-T132 WeakPolarHBondContact O-CB 3.43Å; T128-T132 PolarHBondContact O-N 3.11Å; T128-T132 PolarHBondContact O-OG1 2.86Å; T128-L195 HydrophobicContact CG2-CB 4.01Å; T128-L195 HydrophobicContact CG2-CD2 4.46Å
129	A	61	Low	55.8	Low	58 Å²	58	65.2 Å²	65.2	48%	0.479	34%	0.337	S	S	.	.	H	α-helix	trans	-65.6	-43.9	178.5	0	0	0	0	0	111.7	E125 S126 L127 T132 K133	E125-A129 WeakPolarHBondContact O-CB 3.35Å; E125-A129 PolarHBondContact O-N 3Å; S126-A129 PolarHBondContact O-N 3.12Å; L127-A129 VanDerWaalsContact C-N 3.3Å; L127-A129 PolarHBondContact O-N 3.48Å; A129-T132 PolarHBondContact O-N 2.91Å; A129-K133 PolarHBondContact O-N 2.76Å; A129-K133 VanDerWaalsContact O-N 3.07Å
130	F	55.9	Low	56.5	Low	136 Å²	136	65.5 Å²	65.5	60%	0.596	34%	0.338	S	S	*	.	H	α-helix	trans	-57.6	-50.7	174.6	173.3	-97.6	0	0	0	111.5	S126 L127 T132 K133 A134	S126-F130 WeakPolarHBondContact O-CB 3.42Å; S126-F130 PolarHBondContact O-N 2.91Å; L127-F130 HydrophobicContact CD1-CD1 4.32Å; L127-F130 PolarHBondContact O-N 3.48Å; F130-T132 PolarHBondContact O-N 3.35Å; F130-K133 WeakPolarHBondContact O-CB 3.49Å; F130-K133 PolarHBondContact O-N 2.83Å; F130-A134 PolarHBondContact O-N 2.88Å
131	L	52	Low	57.2	Low	14 Å²	14	67.5 Å²	67.5	7%	0.073	35%	0.349	C	S	.	.	H	α-helix	trans	-65	-40.7	-179.8	-73.9	170.9	0	0	0	112.7	L48 L127 T128 K133 A134 I135 L195	L48-L131 HydrophobicContact CD2-CD1 3.06Å; L48-L131 HydrophobicContact CD2-CG 4.46Å; L48-L131 HydrophobicContact CG-CD1 4.42Å; L127-L131 HydrophobicContact CD1-CD1 4.39Å; L127-L131 HydrophobicContact CD1-CG 4.38Å; L127-L131 HydrophobicContact CG-CD1 4.3Å; L127-L131 WeakPolarHBondContact O-CB 3.38Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 2.7Å; T128-L131 PolarHBondContact O-N 2.89Å; L131-K133 VanDerWaalsContact C-N 3.26Å; L131-K133 PolarHBondContact O-N 3.03Å; L131-A134 PolarHBondContact O-N 3.1Å; L131-I135 WeakPolarHBondContact O-CB 3.3Å; L131-I135 WeakPolarHBondContact O-CD1 3.26Å; L131-I135 WeakPolarHBondContact O-CG1 3.16Å; L131-I135 PolarHBondContact O-N 3.14Å; L131-L195 HydrophobicContact CB-CD1 4.06Å; L131-L195 HydrophobicContact CD1-CD1 4.49Å; L131-L195 HydrophobicContact CD1-CD2 4.46Å
132	T	59	Low	57.5	Low	46 Å²	46	65.6 Å²	65.6	28%	0.282	34%	0.339	S	S	.	.	H	α-helix	trans	-55.6	-46.5	174.2	-56.7	0	0	0	0	110.3	T128 A129 F130 I135 F136	T128-T132 WeakPolarHBondContact O-CB 3.43Å; T128-T132 PolarHBondContact O-N 3.11Å; T128-T132 PolarHBondContact O-OG1 2.86Å; A129-T132 PolarHBondContact O-N 2.91Å; F130-T132 PolarHBondContact O-N 3.35Å; T132-I135 PolarHBondContact O-N 3.1Å; T132-F136 HydrophobicContact CG2-CD2 3.77Å; T132-F136 HydrophobicContact CG2-CE2 3.51Å; T132-F136 WeakPolarHBondContact O-CD2 3.41Å; T132-F136 PolarHBondContact O-N 3.28Å; T132-F136 VanDerWaalsContact O-N 3.09Å
133	K	62	Low	57.8	Low	163 Å²	163	63.4 Å²	63.4	71%	0.709	33%	0.327	S	S	*	.	H	α-helix	trans	-65.1	-42.9	177.7	-171.8	-179.5	179.5	-176.3	0	112.4	A129 F130 L131 I135 F136 S137	A129-K133 PolarHBondContact O-N 2.76Å; A129-K133 VanDerWaalsContact O-N 3.07Å; F130-K133 WeakPolarHBondContact O-CB 3.49Å; F130-K133 PolarHBondContact O-N 2.83Å; L131-K133 VanDerWaalsContact C-N 3.26Å; L131-K133 PolarHBondContact O-N 3.03Å; K133-I135 VanDerWaalsContact C-N 3.34Å; K133-F136 PolarHBondContact O-N 2.87Å; K133-S137 WeakPolarHBondContact O-CB 3.48Å; K133-S137 PolarHBondContact O-N 2.82Å
134	A	56.3	Low	58.5	Low	29 Å²	29	60.2 Å²	60.2	24%	0.24	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-42.5	178.1	0	0	0	0	0	111.7	F130 L131 S137 A138	F130-A134 PolarHBondContact O-N 2.88Å; L131-A134 PolarHBondContact O-N 3.1Å; A134-S137 PolarHBondContact O-N 3.08Å; A134-A138 PolarHBondContact O-N 3.29Å
135	I	56.2	Low	59	Low	9 Å²	9	60.2 Å²	60.2	5%	0.046	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-50	176.3	-71.1	165.9	0	0	0	111.1	L131 T132 K133 S137 A138 R139 F188 L191 L195	L131-I135 WeakPolarHBondContact O-CB 3.3Å; L131-I135 WeakPolarHBondContact O-CD1 3.26Å; L131-I135 WeakPolarHBondContact O-CG1 3.16Å; L131-I135 PolarHBondContact O-N 3.14Å; T132-I135 PolarHBondContact O-N 3.1Å; K133-I135 VanDerWaalsContact C-N 3.34Å; I135-S137 VanDerWaalsContact C-N 3.3Å; I135-S137 PolarHBondContact O-N 2.92Å; I135-A138 PolarHBondContact O-N 2.8Å; I135-R139 PolarHBondContact O-N 3.29Å; I135-F188 HydrophobicContact CB-CD1 4.26Å; I135-F188 HydrophobicContact CG1-CD1 3.95Å; I135-F188 HydrophobicContact CG1-CE1 4.39Å; I135-F188 HydrophobicContact CG2-CB 3.65Å; I135-F188 HydrophobicContact CG2-CD1 3.63Å; I135-F188 HydrophobicContact CG2-CG 3.84Å; I135-L191 HydrophobicContact CD1-CD2 3.74Å; I135-L191 HydrophobicContact CD1-CG 4.18Å; I135-L195 HydrophobicContact CD1-CD1 4.41Å
136	F	64.3	Low	59.2	Low	91 Å²	91	56.1 Å²	56.1	40%	0.399	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-38.8	178.3	-77.8	-64	0	0	0	112.2	T132 K133 A138 R139 D140	T132-F136 HydrophobicContact CG2-CD2 3.77Å; T132-F136 HydrophobicContact CG2-CE2 3.51Å; T132-F136 WeakPolarHBondContact O-CD2 3.41Å; T132-F136 PolarHBondContact O-N 3.28Å; T132-F136 VanDerWaalsContact O-N 3.09Å; K133-F136 PolarHBondContact O-N 2.87Å; F136-A138 PolarHBondContact O-N 3.2Å; F136-R139 PolarHBondContact O-N 3.46Å; F136-D140 PolarHBondContact O-N 3.23Å
137	S	63.6	Low	59.4	Low	59 Å²	59	57 Å²	57	41%	0.413	31%	0.307	S	S	.	.	H	α-helix	trans	-64.7	-38.6	175.5	-173.2	0	0	0	0	112.8	K133 A134 I135 D140 N141	K133-S137 WeakPolarHBondContact O-CB 3.48Å; K133-S137 PolarHBondContact O-N 2.82Å; A134-S137 PolarHBondContact O-N 3.08Å; I135-S137 VanDerWaalsContact C-N 3.3Å; I135-S137 PolarHBondContact O-N 2.92Å; S137-D140 PolarHBondContact O-N 3.48Å; S137-N141 WeakPolarHBondContact O-CB 3.49Å; S137-N141 PolarHBondContact O-N 3.26Å; S137-N141 PolarHBondContact O-ND2 3.1Å
138	A	57.7	Low	59.7	Low	15 Å²	15	58.9 Å²	58.9	12%	0.124	32%	0.316	C	S	.	.	H	α-helix	trans	-64.8	-45.5	176.6	0	0	0	0	0	110.9	I41 A134 I135 F136 D140 N141 L142 F188	I41-A138 HydrophobicContact CD1-CB 3.84Å; A134-A138 PolarHBondContact O-N 3.29Å; I135-A138 PolarHBondContact O-N 2.8Å; F136-A138 PolarHBondContact O-N 3.2Å; A138-D140 PolarHBondContact O-N 3.41Å; A138-N141 PolarHBondContact O-N 3.39Å; A138-L142 VanDerWaalsContact O-CB 3.29Å; A138-L142 WeakPolarHBondContact O-CB 3.27Å; A138-L142 PolarHBondContact O-N 2.89Å; A138-F188 HydrophobicContact CB-CZ 4.43Å
139	R	59.4	Low	59.9	Low	79 Å²	79	63 Å²	63	30%	0.298	33%	0.334	S	S	.	.	H	α-helix	trans	-56.4	-49.1	173.7	169	175.3	-177.5	-90	-0.4	112.2	I135 F136 N141 L142 L143 I185	I135-R139 PolarHBondContact O-N 3.29Å; F136-R139 PolarHBondContact O-N 3.46Å; R139-N141 VanDerWaalsContact C-N 3.33Å; R139-N141 PolarHBondContact O-N 2.86Å; R139-L142 PolarHBondContact O-N 2.77Å; R139-L143 HydrophobicContact CG-CD1 3.92Å; R139-L143 HydrophobicContact CG-CG 4.45Å; R139-L143 WeakPolarHBondContact O-CG 3.36Å; R139-L143 PolarHBondContact O-N 3.02Å; R139-I185 HydrophobicContact CB-CG1 4.46Å; R139-I185 HydrophobicContact CG-CD1 3.92Å; R139-I185 HydrophobicContact CG-CG1 3.9Å
140	D	66.1	Low	59.6	Low	74 Å²	74	61.8 Å²	61.8	40%	0.396	32%	0.321	S	S	.	.	H	α-helix	trans	-64.8	-41	-176.9	-66.6	-15.3	0	0	0	110.6	F136 S137 A138 L142 L143 D144	F136-D140 PolarHBondContact O-N 3.23Å; S137-D140 PolarHBondContact O-N 3.48Å; A138-D140 PolarHBondContact O-N 3.41Å; D140-L142 VanDerWaalsContact C-N 3.29Å; D140-L142 PolarHBondContact O-N 3.29Å; D140-L143 PolarHBondContact O-N 2.84Å; D140-D144 WeakPolarHBondContact O-CB 3.41Å; D140-D144 PolarHBondContact O-N 3.28Å
141	N	62.3	Low	59.7	Low	81 Å²	81	56.6 Å²	56.6	43%	0.433	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-37.7	174.4	-69.6	-19.4	0	0	0	112.6	S137 A138 R139 A145	S137-N141 WeakPolarHBondContact O-CB 3.49Å; S137-N141 PolarHBondContact O-N 3.26Å; S137-N141 PolarHBondContact O-ND2 3.1Å; A138-N141 PolarHBondContact O-N 3.39Å; R139-N141 VanDerWaalsContact C-N 3.33Å; R139-N141 PolarHBondContact O-N 2.86Å; N141-A145 VanDerWaalsContact O-CB 3.3Å; N141-A145 WeakPolarHBondContact O-CB 3.45Å; N141-A145 PolarHBondContact O-N 3.37Å
142	L	57.5	Low	60.3	Low	3 Å²	3	58.4 Å²	58.4	2%	0.016	32%	0.319	C	S	.	.	H	α-helix	trans	-73.5	-41.7	-177.7	-162.6	129.4	0	0	0	110.7	V34 I38 A138 R139 D140 A145 T146 V181 E184	V34-L142 HydrophobicContact CG1-CD1 3.7Å; I38-L142 HydrophobicContact CD1-CD1 3.39Å; A138-L142 VanDerWaalsContact O-CB 3.29Å; A138-L142 WeakPolarHBondContact O-CB 3.27Å; A138-L142 PolarHBondContact O-N 2.89Å; R139-L142 PolarHBondContact O-N 2.77Å; D140-L142 VanDerWaalsContact C-N 3.29Å; D140-L142 PolarHBondContact O-N 3.29Å; L142-A145 PolarHBondContact O-N 2.91Å; L142-T146 PolarHBondContact O-N 3.31Å; L142-T146 PolarHBondContact O-OG1 2.75Å; L142-V181 HydrophobicContact CD2-CB 3.45Å; L142-V181 VanDerWaalsContact CD2-CB 3.45Å; L142-V181 HydrophobicContact CD2-CG1 3.25Å; L142-V181 HydrophobicContact CD2-CG2 3.27Å; L142-V181 HydrophobicContact CG-CG2 4.18Å; L142-E184 WeakPolarHBondContact CD1-OE2 3.36Å
143	L	63.1	Low	60.3	Low	50 Å²	50	58.1 Å²	58.1	26%	0.262	32%	0.316	S	S	.	.	H	α-helix	trans	-62.3	-42.4	170.3	-73.6	171.3	0	0	0	112.4	R139 D140 T146 T147 V181 I185	R139-L143 HydrophobicContact CG-CD1 3.92Å; R139-L143 HydrophobicContact CG-CG 4.45Å; R139-L143 WeakPolarHBondContact O-CG 3.36Å; R139-L143 PolarHBondContact O-N 3.02Å; D140-L143 PolarHBondContact O-N 2.84Å; L143-T146 PolarHBondContact O-N 3.48Å; L143-T147 VanDerWaalsContact O-CB 3.27Å; L143-T147 WeakPolarHBondContact O-CB 3.49Å; L143-T147 PolarHBondContact O-N 3.05Å; L143-T147 PolarHBondContact O-OG1 3.47Å; L143-V181 HydrophobicContact CD2-CG1 4.14Å; L143-I185 HydrophobicContact CD1-CD1 4.44Å; L143-I185 HydrophobicContact CD2-CD1 4.08Å; L143-I185 HydrophobicContact CG-CD1 4.16Å
144	D	65.3	Low	60.2	Low	92 Å²	92	51.8 Å²	51.8	49%	0.492	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-43.8	176.1	-81.8	-11	0	0	0	110.6	D140 T146 T147 I148	D140-D144 WeakPolarHBondContact O-CB 3.41Å; D140-D144 PolarHBondContact O-N 3.28Å; D144-T146 PolarHBondContact O-N 2.81Å; D144-T147 PolarHBondContact O-N 3.39Å; D144-I148 HydrophobicContact CB-CD1 4.19Å; D144-I148 WeakPolarHBondContact O-CB 3.43Å; D144-I148 WeakPolarHBondContact O-CG1 3.46Å; D144-I148 PolarHBondContact O-N 3.1Å
145	A	60	Low	60.5	Low	14 Å²	14	57.4 Å²	57.4	12%	0.116	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-48.3	177.5	0	0	0	0	0	111.3	N141 L142 H149	N141-A145 VanDerWaalsContact O-CB 3.3Å; N141-A145 WeakPolarHBondContact O-CB 3.45Å; N141-A145 PolarHBondContact O-N 3.37Å; L142-A145 PolarHBondContact O-N 2.91Å; A145-H149 VanDerWaalsContact O-CB 3.25Å; A145-H149 WeakPolarHBondContact O-CB 3.48Å; A145-H149 PolarHBondContact O-CD2 3.02Å; A145-H149 PolarHBondContact O-N 2.91Å
146	T	60.2	Low	60.9	Low	11 Å²	11	61.8 Å²	61.8	7%	0.067	33%	0.329	C	S	.	.	I	π-helix	trans	-64.4	-47.4	178.3	-50.3	0	0	0	0	111.6	L142 L143 D144 V150 G151 E178 V181	L142-T146 PolarHBondContact O-N 3.31Å; L142-T146 PolarHBondContact O-OG1 2.75Å; L143-T146 PolarHBondContact O-N 3.48Å; D144-T146 PolarHBondContact O-N 2.81Å; T146-V150 HydrophobicContact CG2-CG2 4.35Å; T146-V150 VanDerWaalsContact O-CB 3.23Å; T146-V150 WeakPolarHBondContact O-CB 3.1Å; T146-V150 PolarHBondContact O-N 3.38Å; T146-V150 VanDerWaalsContact O-N 3.12Å; T146-G151 PolarHBondContact O-N 2.8Å; T146-E178 HydrophobicContact CG2-CG 3.91Å; T146-V181 VanDerWaalsContact OG1-CG2 3.32Å; T146-V181 WeakPolarHBondContact OG1-CG2 3.15Å
147	T	60.8	Low	60.6	Low	98 Å²	98	59 Å²	59	60%	0.601	32%	0.319	S	S	*	.	I	π-helix	trans	-68.6	-43.7	-176.4	-50.9	0	0	0	0	112.1	L143 D144 G151	L143-T147 VanDerWaalsContact O-CB 3.27Å; L143-T147 WeakPolarHBondContact O-CB 3.49Å; L143-T147 PolarHBondContact O-N 3.05Å; L143-T147 PolarHBondContact O-OG1 3.47Å; D144-T147 PolarHBondContact O-N 3.39Å; T147-G151 WeakPolarHBondContact O-CA 3.18Å; T147-G151 PolarHBondContact O-N 3.47Å
148	I	58.4	Low	60.5	Low	99 Å²	99	63.2 Å²	63.2	51%	0.508	33%	0.326	S	S	.	.	I	π-helix	trans	-77	-50.3	-176	-64.4	171.6	0	0	0	110.3	D144 S152	D144-I148 HydrophobicContact CB-CD1 4.19Å; D144-I148 WeakPolarHBondContact O-CB 3.43Å; D144-I148 WeakPolarHBondContact O-CG1 3.46Å; D144-I148 PolarHBondContact O-N 3.1Å; I148-S152 WeakPolarHBondContact O-CB 3.38Å; I148-S152 PolarHBondContact O-N 3.11Å
149	H	56.8	Low	60.7	Low	102 Å²	102	69.3 Å²	69.3	47%	0.472	36%	0.357	S	S	.	.	I	π-helix	trans	-78.6	-58	-173.5	-65.2	-68	0	0	0	110.8	A145 S152 L153	A145-H149 VanDerWaalsContact O-CB 3.25Å; A145-H149 WeakPolarHBondContact O-CB 3.48Å; A145-H149 PolarHBondContact O-CD2 3.02Å; A145-H149 PolarHBondContact O-N 2.91Å; H149-S152 PolarHBondContact O-N 3.25Å; H149-L153 WeakPolarHBondContact O-CB 3.26Å; H149-L153 WeakPolarHBondContact O-CD1 3.39Å; H149-L153 PolarHBondContact O-N 3.17Å
150	V	54.5	Low	60.6	Low	33 Å²	33	75.6 Å²	75.6	20%	0.2	38%	0.38	C	S	.	.	I	π-helix	trans	-68	-44.6	-174.9	-167.8	0	0	0	0	111.2	T146 S152 L153 I154 T174	T146-V150 HydrophobicContact CG2-CG2 4.35Å; T146-V150 VanDerWaalsContact O-CB 3.23Å; T146-V150 WeakPolarHBondContact O-CB 3.1Å; T146-V150 PolarHBondContact O-N 3.38Å; T146-V150 VanDerWaalsContact O-N 3.12Å; V150-S152 PolarHBondContact O-N 3.36Å; V150-L153 PolarHBondContact O-N 2.81Å; V150-I154 HydrophobicContact CG1-CD1 4.38Å; V150-I154 WeakPolarHBondContact O-CG1 3.15Å; V150-I154 PolarHBondContact O-N 3.45Å; V150-T174 HydrophobicContact CB-CG2 4.38Å; V150-T174 HydrophobicContact CG1-CG2 3.52Å; V150-T174 WeakPolarHBondContact CG1-OG1 3.33Å
151	G	59	Low	60.2	Low	27 Å²	27	75.2 Å²	75.2	28%	0.278	38%	0.379	S	S	.	.	H	α-helix	trans	-64.8	-34	177.6	0	0	0	0	0	114.3	T146 T147 K155	T146-G151 PolarHBondContact O-N 2.8Å; T147-G151 WeakPolarHBondContact O-CA 3.18Å; T147-G151 PolarHBondContact O-N 3.47Å; G151-K155 WeakPolarHBondContact O-CG 3.36Å; G151-K155 PolarHBondContact O-N 2.79Å
152	S	63.2	Low	60	Low	51 Å²	51	78.1 Å²	78.1	36%	0.357	40%	0.399	S	S	.	.	H	α-helix	trans	-69.6	-42.4	173	-179.7	0	0	0	0	111.2	I148 H149 V150 K155 Q156	I148-S152 WeakPolarHBondContact O-CB 3.38Å; I148-S152 PolarHBondContact O-N 3.11Å; H149-S152 PolarHBondContact O-N 3.25Å; V150-S152 PolarHBondContact O-N 3.36Å; S152-K155 WeakPolarHBondContact O-CB 3.13Å; S152-K155 PolarHBondContact O-N 3.45Å; S152-K155 VanDerWaalsContact O-N 3.15Å; S152-Q156 WeakPolarHBondContact O-CG 3.35Å; S152-Q156 PolarHBondContact O-N 3.34Å; S152-Q156 PolarHBondContact OG-NE2 2.8Å
153	L	59.5	Low	60.3	Low	41 Å²	41	81 Å²	81	22%	0.215	42%	0.415	C	S	.	.	H	α-helix	trans	-60.8	-46.9	177.5	-86.7	151.7	0	0	0	112.2	L27 H149 V150 K155 Q156 V157	L27-L153 HydrophobicContact CB-CD1 4.2Å; L27-L153 HydrophobicContact CD1-CD1 3.48Å; L27-L153 VanDerWaalsContact CD1-CD1 3.48Å; L27-L153 HydrophobicContact CD1-CD2 3.6Å; L27-L153 HydrophobicContact CD1-CG 4.17Å; L27-L153 HydrophobicContact CD2-CD1 3.76Å; L27-L153 HydrophobicContact CG-CD1 4.01Å; H149-L153 WeakPolarHBondContact O-CB 3.26Å; H149-L153 WeakPolarHBondContact O-CD1 3.39Å; H149-L153 PolarHBondContact O-N 3.17Å; V150-L153 PolarHBondContact O-N 2.81Å; L153-K155 PolarHBondContact O-N 3.09Å; L153-Q156 PolarHBondContact O-N 3.45Å; L153-V157 WeakPolarHBondContact O-CG2 3.29Å; L153-V157 PolarHBondContact O-N 3.38Å
154	I	59.5	Low	60.5	Low	30 Å²	30	82.8 Å²	82.8	15%	0.154	43%	0.429	C	S	.	.	H	α-helix	trans	-54.9	-42.5	174.6	-68.4	163.3	0	0	0	110.9	V150 R158 T174	V150-I154 HydrophobicContact CG1-CD1 4.38Å; V150-I154 WeakPolarHBondContact O-CG1 3.15Å; V150-I154 PolarHBondContact O-N 3.45Å; I154-R158 HydrophobicContact CG2-CG 4.36Å; I154-R158 VanDerWaalsContact O-CB 3.27Å; I154-R158 WeakPolarHBondContact O-CB 3.33Å; I154-R158 WeakPolarHBondContact O-CG 3.1Å; I154-R158 PolarHBondContact O-N 2.79Å; I154-T174 HydrophobicContact CD1-CG2 3.8Å; I154-T174 WeakPolarHBondContact CD1-OG1 3.37Å
155	K	63.6	Low	60.6	Low	147 Å²	147	85.2 Å²	85.2	64%	0.639	44%	0.438	S	S	*	.	H	α-helix	trans	-66.2	-39.1	177.1	-74.5	177.3	-178.2	172.1	0	112.2	G151 S152 L153 N159	G151-K155 WeakPolarHBondContact O-CG 3.36Å; G151-K155 PolarHBondContact O-N 2.79Å; S152-K155 WeakPolarHBondContact O-CB 3.13Å; S152-K155 PolarHBondContact O-N 3.45Å; S152-K155 VanDerWaalsContact O-N 3.15Å; L153-K155 PolarHBondContact O-N 3.09Å; K155-N159 WeakPolarHBondContact O-CB 3.27Å; K155-N159 PolarHBondContact O-N 3.11Å; K155-N159 PolarHBondContact O-ND2 3.38Å; K155-N159 VanDerWaalsContact O-ND2 3.11Å
156	Q	63.3	Low	60.6	Low	101 Å²	101	86.5 Å²	86.5	47%	0.472	44%	0.444	S	S	.	.	H	α-helix	trans	-67.7	-45.1	178.4	-70.9	-179.6	29.6	0	0	111.4	S152 L153 N159 R160	S152-Q156 WeakPolarHBondContact O-CG 3.35Å; S152-Q156 PolarHBondContact O-N 3.34Å; S152-Q156 PolarHBondContact OG-NE2 2.8Å; L153-Q156 PolarHBondContact O-N 3.45Å; Q156-N159 PolarHBondContact O-N 3.29Å; Q156-R160 PolarHBondContact O-N 2.79Å
157	V	59.9	Low	60.8	Low	32 Å²	32	87.2 Å²	87.2	19%	0.194	45%	0.448	C	S	.	.	H	α-helix	trans	-67.6	-44.5	178.9	178.9	0	0	0	0	110.8	L153 N159 R160 D161 V166 L170	L153-V157 WeakPolarHBondContact O-CG2 3.29Å; L153-V157 PolarHBondContact O-N 3.38Å; V157-N159 PolarHBondContact O-N 3.4Å; V157-N159 VanDerWaalsContact O-N 3.1Å; V157-R160 PolarHBondContact O-N 3.05Å; V157-D161 HydrophobicContact CG1-CB 4.11Å; V157-D161 PolarHBondContact O-N 3.29Å; V157-V166 HydrophobicContact CG1-CG1 4.05Å; V157-L170 HydrophobicContact CB-CD1 3.63Å; V157-L170 HydrophobicContact CG1-CD1 3.47Å; V157-L170 VanDerWaalsContact CG1-CD1 3.47Å; V157-L170 HydrophobicContact CG2-CD1 3.62Å
158	R	60.1	Low	61	Low	147 Å²	147	88.7 Å²	88.7	56%	0.555	45%	0.448	S	S	*	.	H	α-helix	trans	-56.8	-28.5	173.6	-81.6	-176.8	173.5	-170.4	0.9	114	I154 V167 E171	I154-R158 HydrophobicContact CG2-CG 4.36Å; I154-R158 VanDerWaalsContact O-CB 3.27Å; I154-R158 WeakPolarHBondContact O-CB 3.33Å; I154-R158 WeakPolarHBondContact O-CG 3.1Å; I154-R158 PolarHBondContact O-N 2.79Å; R158-V167 HydrophobicContact CG-CG1 4.27Å; R158-V167 HydrophobicContact CG-CG2 4.44Å; R158-E171 IonicContact CZ-OE1 2.75Å; R158-E171 IonicContact NE-OE1 3.05Å; R158-E171 IonicContact NH2-OE1 3.37Å; R158-E171 PolarHBondContact NH2-OE1 2.85Å
159	N	62.5	Low	61.2	Low	144 Å²	144	86.9 Å²	86.9	77%	0.77	45%	0.449	S	S	*	.	H	α-helix	trans	-83.9	-22	179	-74.3	-22.7	0	0	0	113.2	K155 Q156 V157	K155-N159 WeakPolarHBondContact O-CB 3.27Å; K155-N159 PolarHBondContact O-N 3.11Å; K155-N159 PolarHBondContact O-ND2 3.38Å; K155-N159 VanDerWaalsContact O-ND2 3.11Å; Q156-N159 PolarHBondContact O-N 3.29Å; V157-N159 PolarHBondContact O-N 3.4Å; V157-N159 VanDerWaalsContact O-N 3.1Å
160	R	57.7	Low	61.3	Low	210 Å²	210	83 Å²	83	79%	0.792	43%	0.431	S	S	*	.	H	α-helix	trans	-105.3	-38	-175.4	-73.3	-172.4	176.7	-173.7	1.7	113.1	Q156 V157	Q156-R160 PolarHBondContact O-N 2.79Å; V157-R160 PolarHBondContact O-N 3.05Å
161	D	57	Low	61.8	Low	67 Å²	67	84.8 Å²	84.8	36%	0.358	44%	0.437	S	S	.	.			trans	-115.9	128.1	-171.2	-155	-16.4	0	0	0	111.1	V157 N163	V157-D161 HydrophobicContact CG1-CB 4.11Å; V157-D161 PolarHBondContact O-N 3.29Å; D161-N163 WeakPolarHBondContact OD1-CB 3.49Å; D161-N163 PolarHBondContact OD1-N 3.06Å
162	T	58.4	Low	62.1	Low	142 Å²	142	89.4 Å²	89.4	87%	0.871	46%	0.455	S	S	*	.			trans	-94.4	1	176.2	47.5	0	0	0	0	112.5	P164	T162-P164 WeakPolarHBondContact O-CD 3.13Å
163	N	63.3	Low	62	Low	64 Å²	64	88.7 Å²	88.7	34%	0.342	45%	0.452	S	S	.	.			trans	-69.7	111	178.3	-169.5	-11.6	0	0	0	110.8	D161 E165 V166 V167	D161-N163 WeakPolarHBondContact OD1-CB 3.49Å; D161-N163 PolarHBondContact OD1-N 3.06Å; N163-E165 PolarHBondContact O-N 3.49Å; N163-E165 PolarHBondContact OD1-N 3.38Å; N163-V166 HydrophobicContact CB-CB 4.38Å; N163-V166 HydrophobicContact CB-CG2 4.01Å; N163-V166 PolarHBondContact O-N 3.22Å; N163-V167 PolarHBondContact O-N 3.17Å
164	P	66.7	Low	62	Low	86 Å²	86	87.3 Å²	87.3	56%	0.558	45%	0.446	S	S	*	.	H	α-helix	trans	-63.2	-24.7	-179.3	26.4	-34.3	0	0	0	113.1	T162 Q168	T162-P164 WeakPolarHBondContact O-CD 3.13Å; P164-Q168 WeakPolarHBondContact O-CB 3.1Å; P164-Q168 VanDerWaalsContact O-CG 3.31Å; P164-Q168 WeakPolarHBondContact O-CG 3.16Å; P164-Q168 PolarHBondContact O-N 3.43Å
165	E	68	Low	62.1	Low	143 Å²	143	90.6 Å²	90.6	67%	0.668	46%	0.463	S	S	*	.	H	α-helix	trans	-71.8	-41.3	179.7	-64.1	-175.8	170.4	0	0	111.9	N163 Q168 A169	N163-E165 PolarHBondContact O-N 3.49Å; N163-E165 PolarHBondContact OD1-N 3.38Å; E165-Q168 PolarHBondContact O-N 2.99Å; E165-A169 WeakPolarHBondContact O-CB 3.08Å; E165-A169 PolarHBondContact O-N 3.08Å
166	V	61.3	Low	62.1	Low	42 Å²	42	89.6 Å²	89.6	26%	0.255	46%	0.458	S	S	.	.	H	α-helix	trans	-65	-43	175.5	178.6	0	0	0	0	110.3	V157 N163 Q168 A169 L170	V157-V166 HydrophobicContact CG1-CG1 4.05Å; N163-V166 HydrophobicContact CB-CB 4.38Å; N163-V166 HydrophobicContact CB-CG2 4.01Å; N163-V166 PolarHBondContact O-N 3.22Å; V166-Q168 VanDerWaalsContact C-N 3.34Å; V166-Q168 PolarHBondContact O-N 3.19Å; V166-A169 PolarHBondContact O-N 2.81Å; V166-L170 HydrophobicContact CG1-CD1 4.07Å; V166-L170 WeakPolarHBondContact O-CB 3.45Å; V166-L170 WeakPolarHBondContact O-CG 3.39Å; V166-L170 PolarHBondContact O-N 3.49Å
167	V	63.2	Low	61.9	Low	26 Å²	26	86.2 Å²	86.2	16%	0.158	45%	0.448	C	S	.	.	H	α-helix	trans	-61.3	-43.8	175.4	177.9	0	0	0	0	110.8	R158 N163 L170 E171	R158-V167 HydrophobicContact CG-CG1 4.27Å; R158-V167 HydrophobicContact CG-CG2 4.44Å; N163-V167 PolarHBondContact O-N 3.17Å; V167-L170 PolarHBondContact O-N 2.65Å; V167-E171 HydrophobicContact CG1-CG 4.49Å; V167-E171 WeakPolarHBondContact O-CB 3.4Å; V167-E171 VanDerWaalsContact O-CG 3.27Å; V167-E171 WeakPolarHBondContact O-CG 3.26Å; V167-E171 PolarHBondContact O-N 3.39Å
168	Q	65.8	Low	61.7	Low	128 Å²	128	89.2 Å²	89.2	60%	0.598	46%	0.46	S	S	*	.	H	α-helix	trans	-64.9	-41.9	176	-79.7	179.3	14.8	0	0	112.7	P164 E165 V166 E171 L172	P164-Q168 WeakPolarHBondContact O-CB 3.1Å; P164-Q168 VanDerWaalsContact O-CG 3.31Å; P164-Q168 WeakPolarHBondContact O-CG 3.16Å; P164-Q168 PolarHBondContact O-N 3.43Å; E165-Q168 PolarHBondContact O-N 2.99Å; V166-Q168 VanDerWaalsContact C-N 3.34Å; V166-Q168 PolarHBondContact O-N 3.19Å; Q168-E171 PolarHBondContact O-N 3.29Å; Q168-L172 WeakPolarHBondContact O-CB 3.33Å; Q168-L172 PolarHBondContact O-N 3.18Å
169	A	62.9	Low	61.8	Low	62 Å²	62	87.1 Å²	87.1	51%	0.512	46%	0.46	S	S	.	.	H	α-helix	trans	-62.8	-42.5	178	0	0	0	0	0	111.5	E165 V166 L172 A173	E165-A169 WeakPolarHBondContact O-CB 3.08Å; E165-A169 PolarHBondContact O-N 3.08Å; V166-A169 PolarHBondContact O-N 2.81Å; A169-L172 PolarHBondContact O-N 3.45Å; A169-A173 WeakPolarHBondContact O-CB 3.21Å; A169-A173 PolarHBondContact O-N 3.05Å
170	L	58.7	Low	61.6	Low	20 Å²	20	84.9 Å²	84.9	11%	0.105	45%	0.445	C	S	.	.	H	α-helix	trans	-66	-42.8	174.7	-75.8	167.8	0	0	0	112.4	I24 V157 V166 V167 L172 A173 T174	I24-L170 HydrophobicContact CD1-CD2 4.35Å; I24-L170 HydrophobicContact CG1-CD2 4.43Å; V157-L170 HydrophobicContact CB-CD1 3.63Å; V157-L170 HydrophobicContact CG1-CD1 3.47Å; V157-L170 VanDerWaalsContact CG1-CD1 3.47Å; V157-L170 HydrophobicContact CG2-CD1 3.62Å; V166-L170 HydrophobicContact CG1-CD1 4.07Å; V166-L170 WeakPolarHBondContact O-CB 3.45Å; V166-L170 WeakPolarHBondContact O-CG 3.39Å; V166-L170 PolarHBondContact O-N 3.49Å; V167-L170 PolarHBondContact O-N 2.65Å; L170-L172 PolarHBondContact O-N 2.8Å; L170-A173 PolarHBondContact O-N 3.5Å; L170-T174 WeakPolarHBondContact O-CB 3.46Å; L170-T174 PolarHBondContact O-N 2.78Å; L170-T174 PolarHBondContact O-OG1 3.14Å
171	E	64.6	Low	61.6	Low	70 Å²	70	75.3 Å²	75.3	33%	0.327	41%	0.409	S	S	.	.	H	α-helix	trans	-59.3	-39.5	174.3	-76.6	174.7	179.2	0	0	111.1	R158 V167 Q168 T174 L175	R158-E171 IonicContact CZ-OE1 2.75Å; R158-E171 IonicContact NE-OE1 3.05Å; R158-E171 IonicContact NH2-OE1 3.37Å; R158-E171 PolarHBondContact NH2-OE1 2.85Å; V167-E171 HydrophobicContact CG1-CG 4.49Å; V167-E171 WeakPolarHBondContact O-CB 3.4Å; V167-E171 VanDerWaalsContact O-CG 3.27Å; V167-E171 WeakPolarHBondContact O-CG 3.26Å; V167-E171 PolarHBondContact O-N 3.39Å; Q168-E171 PolarHBondContact O-N 3.29Å; E171-T174 PolarHBondContact O-N 3.26Å; E171-L175 WeakPolarHBondContact O-CB 3.3Å; E171-L175 PolarHBondContact O-N 3.26Å
172	L	65.1	Low	61.7	Low	124 Å²	124	76.5 Å²	76.5	65%	0.649	42%	0.416	S	S	*	.	H	α-helix	trans	-73.6	-39.8	179.4	-158.5	135	0	0	0	112.8	Q168 A169 L170 T174 L175 K176	Q168-L172 WeakPolarHBondContact O-CB 3.33Å; Q168-L172 PolarHBondContact O-N 3.18Å; A169-L172 PolarHBondContact O-N 3.45Å; L170-L172 PolarHBondContact O-N 2.8Å; L172-T174 VanDerWaalsContact C-N 3.3Å; L172-T174 PolarHBondContact O-N 3.2Å; L172-L175 PolarHBondContact O-N 2.83Å; L172-K176 WeakPolarHBondContact O-CB 3.48Å; L172-K176 PolarHBondContact O-N 3.36Å
173	A	60.5	Low	61.9	Low	37 Å²	37	75.7 Å²	75.7	31%	0.306	40%	0.402	S	S	.	.	H	α-helix	trans	-62.9	-38.9	172.3	0	0	0	0	0	111.4	A169 L170 K176 A177	A169-A173 WeakPolarHBondContact O-CB 3.21Å; A169-A173 PolarHBondContact O-N 3.05Å; L170-A173 PolarHBondContact O-N 3.5Å; A173-K176 PolarHBondContact O-N 2.9Å; A173-A177 WeakPolarHBondContact O-CB 3.33Å; A173-A177 PolarHBondContact O-N 3.23Å
174	T	59.5	Low	61.5	Low	12 Å²	12	75.4 Å²	75.4	7%	0.074	40%	0.399	C	S	.	.	H	α-helix	trans	-64.2	-49	175.3	-54.5	0	0	0	0	111.4	V150 I154 L170 E171 L172 K176 A177 E178	V150-T174 HydrophobicContact CB-CG2 4.38Å; V150-T174 HydrophobicContact CG1-CG2 3.52Å; V150-T174 WeakPolarHBondContact CG1-OG1 3.33Å; I154-T174 HydrophobicContact CD1-CG2 3.8Å; I154-T174 WeakPolarHBondContact CD1-OG1 3.37Å; L170-T174 WeakPolarHBondContact O-CB 3.46Å; L170-T174 PolarHBondContact O-N 2.78Å; L170-T174 PolarHBondContact O-OG1 3.14Å; E171-T174 PolarHBondContact O-N 3.26Å; L172-T174 VanDerWaalsContact C-N 3.3Å; L172-T174 PolarHBondContact O-N 3.2Å; T174-K176 VanDerWaalsContact C-N 3.25Å; T174-K176 PolarHBondContact O-N 2.84Å; T174-A177 PolarHBondContact O-N 2.92Å; T174-A177 VanDerWaalsContact O-N 3.15Å; T174-E178 HydrophobicContact CG2-CG 4.45Å; T174-E178 WeakPolarHBondContact O-CG 2.86Å; T174-E178 PolarHBondContact O-N 3.37Å
175	L	63.1	Low	61.1	Low	98 Å²	98	71.8 Å²	71.8	51%	0.513	37%	0.374	S	S	.	.	H	α-helix	trans	-55.3	-43	175.1	-94.1	153.2	0	0	0	111.6	E171 L172 E178 D179	E171-L175 WeakPolarHBondContact O-CB 3.3Å; E171-L175 PolarHBondContact O-N 3.26Å; L172-L175 PolarHBondContact O-N 2.83Å; L175-E178 PolarHBondContact O-N 3.32Å; L175-D179 WeakPolarHBondContact O-CB 3.24Å; L175-D179 PolarHBondContact O-N 2.8Å
176	K	62.8	Low	60.9	Low	126 Å²	126	70.1 Å²	70.1	55%	0.548	37%	0.368	S	S	.	.	H	α-helix	trans	-66.3	-41.5	177.6	-169.2	-174.8	173.9	-155.2	0	112.3	L172 A173 T174 D179 E180	L172-K176 WeakPolarHBondContact O-CB 3.48Å; L172-K176 PolarHBondContact O-N 3.36Å; A173-K176 PolarHBondContact O-N 2.9Å; T174-K176 VanDerWaalsContact C-N 3.25Å; T174-K176 PolarHBondContact O-N 2.84Å; K176-D179 PolarHBondContact O-N 3.24Å; K176-E180 VanDerWaalsContact CE-OE1 3.3Å; K176-E180 WeakPolarHBondContact CE-OE1 3.44Å; K176-E180 IonicContact NZ-OE1 3.65Å; K176-E180 WeakPolarHBondContact O-CG 3.39Å; K176-E180 PolarHBondContact O-N 3.13Å
177	A	57.9	Low	60.8	Low	31 Å²	31	73.1 Å²	73.1	26%	0.256	38%	0.379	S	S	.	.	H	α-helix	trans	-63.7	-42.2	175.2	0	0	0	0	0	111.2	A173 T174 E180 V181	A173-A177 WeakPolarHBondContact O-CB 3.33Å; A173-A177 PolarHBondContact O-N 3.23Å; T174-A177 PolarHBondContact O-N 2.92Å; T174-A177 VanDerWaalsContact O-N 3.15Å; A177-E180 PolarHBondContact O-N 3.19Å; A177-V181 WeakPolarHBondContact O-CB 3.34Å; A177-V181 WeakPolarHBondContact O-CG2 3.49Å; A177-V181 PolarHBondContact O-N 3.47Å
178	E	56.3	Low	60.4	Low	94 Å²	94	72.7 Å²	72.7	44%	0.439	38%	0.375	S	S	.	.	H	α-helix	trans	-61	-41.6	173.1	-73	-179.8	170.3	0	0	112	T146 T174 L175 V181 D182	T146-E178 HydrophobicContact CG2-CG 3.91Å; T174-E178 HydrophobicContact CG2-CG 4.45Å; T174-E178 WeakPolarHBondContact O-CG 2.86Å; T174-E178 PolarHBondContact O-N 3.37Å; L175-E178 PolarHBondContact O-N 3.32Å; E178-V181 WeakPolarHBondContact O-CB 3.28Å; E178-V181 PolarHBondContact O-N 2.78Å; E178-D182 WeakPolarHBondContact O-CB 3.33Å; E178-D182 PolarHBondContact O-N 3.36Å
179	D	63.2	Low	60.1	Low	103 Å²	103	70.7 Å²	70.7	55%	0.551	37%	0.365	S	S	*	.	H	α-helix	trans	-63.7	-42.9	175.6	-78.9	-21.1	0	0	0	112	L175 K176 D182 Q183	L175-D179 WeakPolarHBondContact O-CB 3.24Å; L175-D179 PolarHBondContact O-N 2.8Å; K176-D179 PolarHBondContact O-N 3.24Å; D179-D182 PolarHBondContact O-N 3.47Å; D179-Q183 WeakPolarHBondContact O-CB 2.96Å; D179-Q183 PolarHBondContact O-N 3.33Å
180	E	58.6	Low	60	Low	98 Å²	98	72.1 Å²	72.1	46%	0.458	36%	0.361	S	S	.	.	H	α-helix	trans	-64.6	-43.3	176.4	-74.9	177.9	-168.1	0	0	111	K176 A177 D182 Q183 E184	K176-E180 VanDerWaalsContact CE-OE1 3.3Å; K176-E180 WeakPolarHBondContact CE-OE1 3.44Å; K176-E180 IonicContact NZ-OE1 3.65Å; K176-E180 WeakPolarHBondContact O-CG 3.39Å; K176-E180 PolarHBondContact O-N 3.13Å; A177-E180 PolarHBondContact O-N 3.19Å; E180-D182 PolarHBondContact O-N 3.17Å; E180-Q183 PolarHBondContact O-N 3.05Å; E180-E184 WeakPolarHBondContact O-CG 3.48Å; E180-E184 PolarHBondContact O-N 3.47Å
181	V	56.1	Low	59.7	Low	8 Å²	8	73.1 Å²	73.1	5%	0.048	37%	0.366	C	S	.	.	H	α-helix	trans	-56.7	-49.6	172.3	161.1	0	0	0	0	111.1	L142 L143 T146 A177 E178 Q183 E184 I185	L142-V181 HydrophobicContact CD2-CB 3.45Å; L142-V181 VanDerWaalsContact CD2-CB 3.45Å; L142-V181 HydrophobicContact CD2-CG1 3.25Å; L142-V181 HydrophobicContact CD2-CG2 3.27Å; L142-V181 HydrophobicContact CG-CG2 4.18Å; L143-V181 HydrophobicContact CD2-CG1 4.14Å; T146-V181 VanDerWaalsContact OG1-CG2 3.32Å; T146-V181 WeakPolarHBondContact OG1-CG2 3.15Å; A177-V181 WeakPolarHBondContact O-CB 3.34Å; A177-V181 WeakPolarHBondContact O-CG2 3.49Å; A177-V181 PolarHBondContact O-N 3.47Å; E178-V181 WeakPolarHBondContact O-CB 3.28Å; E178-V181 PolarHBondContact O-N 2.78Å; V181-Q183 VanDerWaalsContact C-N 3.33Å; V181-Q183 PolarHBondContact O-N 3.26Å; V181-E184 PolarHBondContact O-N 2.85Å; V181-I185 HydrophobicContact CG1-CD1 3.63Å; V181-I185 HydrophobicContact CG1-CG1 4.41Å; V181-I185 WeakPolarHBondContact O-CB 3.27Å; V181-I185 WeakPolarHBondContact O-CG1 3.41Å; V181-I185 PolarHBondContact O-N 2.93Å
182	D	60.3	Low	59.3	Low	93 Å²	93	71 Å²	71	50%	0.497	36%	0.361	S	S	.	.	H	α-helix	trans	-65.4	-37.5	-179.4	-87.8	-13.1	0	0	0	111.8	E178 D179 E180 I185 M186	E178-D182 WeakPolarHBondContact O-CB 3.33Å; E178-D182 PolarHBondContact O-N 3.36Å; D179-D182 PolarHBondContact O-N 3.47Å; E180-D182 PolarHBondContact O-N 3.17Å; D182-I185 PolarHBondContact O-N 3.15Å; D182-M186 WeakPolarHBondContact O-CB 3.5Å; D182-M186 WeakPolarHBondContact O-CG 3.49Å; D182-M186 PolarHBondContact O-N 2.85Å
183	Q	62.5	Low	59	Low	125 Å²	125	70.8 Å²	70.8	58%	0.584	35%	0.354	S	S	*	.	H	α-helix	trans	-62.5	-47	173.9	-175.7	175	-17.5	0	0	111.3	D179 E180 V181 M186 E187	D179-Q183 WeakPolarHBondContact O-CB 2.96Å; D179-Q183 PolarHBondContact O-N 3.33Å; E180-Q183 PolarHBondContact O-N 3.05Å; V181-Q183 VanDerWaalsContact C-N 3.33Å; V181-Q183 PolarHBondContact O-N 3.26Å; Q183-M186 WeakPolarHBondContact O-CB 3.42Å; Q183-M186 PolarHBondContact O-N 3.2Å; Q183-E187 PolarHBondContact O-N 2.85Å
184	E	54.9	Low	58.7	Low	57 Å²	57	71.8 Å²	71.8	27%	0.266	36%	0.357	S	S	.	.	H	α-helix	trans	-63.1	-42.8	176.2	-71.7	-170.7	164	0	0	111.5	I38 L142 E180 V181 M186 E187 F188	I38-E184 WeakPolarHBondContact CD1-OE2 3.35Å; L142-E184 WeakPolarHBondContact CD1-OE2 3.36Å; E180-E184 WeakPolarHBondContact O-CG 3.48Å; E180-E184 PolarHBondContact O-N 3.47Å; V181-E184 PolarHBondContact O-N 2.85Å; E184-M186 VanDerWaalsContact C-N 3.26Å; E184-M186 PolarHBondContact O-N 3.48Å; E184-E187 PolarHBondContact O-N 2.84Å; E184-E187 VanDerWaalsContact O-N 3.16Å; E184-F188 HydrophobicContact CB-CE2 4.33Å; E184-F188 WeakPolarHBondContact O-CD2 3.35Å; E184-F188 PolarHBondContact O-N 3.08Å
185	I	58.4	Low	58.4	Low	10 Å²	10	71.6 Å²	71.6	5%	0.051	36%	0.355	C	S	.	.	H	α-helix	trans	-57.1	-39.9	173.5	-72.3	171	0	0	0	111.2	R139 L143 V181 D182 F188 F189	R139-I185 HydrophobicContact CB-CG1 4.46Å; R139-I185 HydrophobicContact CG-CD1 3.92Å; R139-I185 HydrophobicContact CG-CG1 3.9Å; L143-I185 HydrophobicContact CD1-CD1 4.44Å; L143-I185 HydrophobicContact CD2-CD1 4.08Å; L143-I185 HydrophobicContact CG-CD1 4.16Å; V181-I185 HydrophobicContact CG1-CD1 3.63Å; V181-I185 HydrophobicContact CG1-CG1 4.41Å; V181-I185 WeakPolarHBondContact O-CB 3.27Å; V181-I185 WeakPolarHBondContact O-CG1 3.41Å; V181-I185 PolarHBondContact O-N 2.93Å; D182-I185 PolarHBondContact O-N 3.15Å; I185-F188 WeakPolarHBondContact O-CB 3.41Å; I185-F188 PolarHBondContact O-N 3.3Å; I185-F189 HydrophobicContact CG2-CD2 3.75Å; I185-F189 HydrophobicContact CG2-CE2 3.5Å; I185-F189 VanDerWaalsContact CG2-CE2 3.5Å; I185-F189 WeakPolarHBondContact O-CD2 3.41Å; I185-F189 PolarHBondContact O-N 2.86Å
186	M	62.2	Low	58.2	Low	109 Å²	109	72.8 Å²	72.8	54%	0.537	36%	0.358	S	S	.	.	H	α-helix	trans	-66.3	-41.5	176.5	-80.1	-63.8	-63.8	0	0	112.5	D182 Q183 E184 F188 F189 E190	D182-M186 WeakPolarHBondContact O-CB 3.5Å; D182-M186 WeakPolarHBondContact O-CG 3.49Å; D182-M186 PolarHBondContact O-N 2.85Å; Q183-M186 WeakPolarHBondContact O-CB 3.42Å; Q183-M186 PolarHBondContact O-N 3.2Å; E184-M186 VanDerWaalsContact C-N 3.26Å; E184-M186 PolarHBondContact O-N 3.48Å; M186-F188 VanDerWaalsContact C-N 3.27Å; M186-F188 PolarHBondContact O-N 3.14Å; M186-F189 PolarHBondContact O-N 2.68Å; M186-E190 PolarHBondContact O-N 2.96Å
187	E	60.7	Low	57.9	Low	104 Å²	104	71 Å²	71	49%	0.486	35%	0.352	S	S	.	.	H	α-helix	trans	-60.9	-39	172.8	-68	-170.9	-176.2	0	0	111.4	Q183 E184 E190 L191	Q183-E187 PolarHBondContact O-N 2.85Å; E184-E187 PolarHBondContact O-N 2.84Å; E184-E187 VanDerWaalsContact O-N 3.16Å; E187-E190 PolarHBondContact O-N 3.15Å; E187-L191 PolarHBondContact O-N 2.8Å
188	F	53.8	Low	57.6	Low	17 Å²	17	71.4 Å²	71.4	8%	0.075	35%	0.349	C	S	.	.	H	α-helix	trans	-62.5	-41.2	173.2	-76.4	-58.3	0	0	0	113	I38 I41 I135 A138 E184 I185 M186 L191 A192	I38-F188 HydrophobicContact CG1-CZ 4.34Å; I38-F188 HydrophobicContact CG2-CZ 4.11Å; I41-F188 HydrophobicContact CG2-CE1 4.11Å; I135-F188 HydrophobicContact CB-CD1 4.26Å; I135-F188 HydrophobicContact CG1-CD1 3.95Å; I135-F188 HydrophobicContact CG1-CE1 4.39Å; I135-F188 HydrophobicContact CG2-CB 3.65Å; I135-F188 HydrophobicContact CG2-CD1 3.63Å; I135-F188 HydrophobicContact CG2-CG 3.84Å; A138-F188 HydrophobicContact CB-CZ 4.43Å; E184-F188 HydrophobicContact CB-CE2 4.33Å; E184-F188 WeakPolarHBondContact O-CD2 3.35Å; E184-F188 PolarHBondContact O-N 3.08Å; I185-F188 WeakPolarHBondContact O-CB 3.41Å; I185-F188 PolarHBondContact O-N 3.3Å; M186-F188 VanDerWaalsContact C-N 3.27Å; M186-F188 PolarHBondContact O-N 3.14Å; F188-L191 PolarHBondContact O-N 3.05Å; F188-A192 PolarHBondContact O-N 3.39Å
189	F	59.8	Low	57.5	Low	87 Å²	87	71.8 Å²	71.8	38%	0.382	35%	0.349	S	S	.	.	H	α-helix	trans	-64.6	-40.4	175.8	-85.1	-65.9	0	0	0	112.6	I185 M186 L191 A192 K193	I185-F189 HydrophobicContact CG2-CD2 3.75Å; I185-F189 HydrophobicContact CG2-CE2 3.5Å; I185-F189 VanDerWaalsContact CG2-CE2 3.5Å; I185-F189 WeakPolarHBondContact O-CD2 3.41Å; I185-F189 PolarHBondContact O-N 2.86Å; M186-F189 PolarHBondContact O-N 2.68Å; F189-L191 VanDerWaalsContact C-N 3.3Å; F189-L191 PolarHBondContact O-N 3.19Å; F189-A192 PolarHBondContact O-N 3.46Å; F189-K193 WeakPolarHBondContact O-CG 3.34Å; F189-K193 PolarHBondContact O-N 2.89Å
190	E	60.1	Low	57.2	Low	91 Å²	91	70.3 Å²	70.3	43%	0.425	34%	0.344	S	S	.	.	H	α-helix	trans	-65.5	-35.1	175.3	-73.8	-54.9	133.7	0	0	112.1	M186 E187 K193 T194	M186-E190 PolarHBondContact O-N 2.96Å; E187-E190 PolarHBondContact O-N 3.15Å; E190-K193 PolarHBondContact O-N 2.98Å; E190-K193 IonicContact OE1-NZ 3.16Å; E190-K193 PolarHBondContact OE1-NZ 3.46Å; E190-T194 WeakPolarHBondContact O-CB 3.45Å; E190-T194 PolarHBondContact O-N 3.37Å; E190-T194 PolarHBondContact O-OG1 3.21Å
191	L	52.5	Low	56.9	Low	41 Å²	41	72.2 Å²	72.2	22%	0.215	35%	0.347	C	S	.	.	H	α-helix	trans	-66.1	-45.3	172.5	-176.1	62.9	0	0	0	111.9	S45 I135 E187 F188 F189 K193 T194 L195	S45-L191 WeakPolarHBondContact OG-CD1 3.49Å; S45-L191 VanDerWaalsContact OG-CD2 3.3Å; S45-L191 WeakPolarHBondContact OG-CD2 3.45Å; I135-L191 HydrophobicContact CD1-CD2 3.74Å; I135-L191 HydrophobicContact CD1-CG 4.18Å; E187-L191 PolarHBondContact O-N 2.8Å; F188-L191 PolarHBondContact O-N 3.05Å; F189-L191 VanDerWaalsContact C-N 3.3Å; F189-L191 PolarHBondContact O-N 3.19Å; L191-K193 VanDerWaalsContact C-N 3.34Å; L191-K193 PolarHBondContact O-N 2.92Å; L191-T194 WeakPolarHBondContact O-CB 3.45Å; L191-T194 PolarHBondContact O-N 3.45Å; L191-T194 VanDerWaalsContact O-N 3.12Å; L191-L195 PolarHBondContact O-N 3.21Å
192	A	56.4	Low	56.7	Low	26 Å²	26	73.1 Å²	73.1	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-61.5	-41	175.9	0	0	0	0	0	112.1	F188 F189 T194 L195 H196	F188-A192 PolarHBondContact O-N 3.39Å; F189-A192 PolarHBondContact O-N 3.46Å; A192-T194 VanDerWaalsContact C-N 3.33Å; A192-T194 PolarHBondContact O-N 2.83Å; A192-L195 PolarHBondContact O-N 3.15Å; A192-H196 WeakPolarHBondContact O-CB 3.47Å; A192-H196 PolarHBondContact O-N 3.24Å
193	K	59.4	Low	56.4	Low	119 Å²	119	76.4 Å²	76.4	52%	0.517	36%	0.356	S	S	.	.	H	α-helix	trans	-60.4	-42.5	171.6	-76.5	177.3	-169.5	166.8	0	111.5	F189 E190 L191 H196 H197	F189-K193 WeakPolarHBondContact O-CG 3.34Å; F189-K193 PolarHBondContact O-N 2.89Å; E190-K193 PolarHBondContact O-N 2.98Å; E190-K193 IonicContact OE1-NZ 3.16Å; E190-K193 PolarHBondContact OE1-NZ 3.46Å; L191-K193 VanDerWaalsContact C-N 3.34Å; L191-K193 PolarHBondContact O-N 2.92Å; K193-H196 PolarHBondContact O-N 3.4Å; K193-H197 WeakPolarHBondContact O-CB 3.43Å; K193-H197 PolarHBondContact O-N 3.04Å
194	T	53.4	Low	56	Low	58 Å²	58	76.3 Å²	76.3	36%	0.356	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-46.4	176.8	-62	0	0	0	0	111	E190 L191 A192 H196 H197 I198	E190-T194 WeakPolarHBondContact O-CB 3.45Å; E190-T194 PolarHBondContact O-N 3.37Å; E190-T194 PolarHBondContact O-OG1 3.21Å; L191-T194 WeakPolarHBondContact O-CB 3.45Å; L191-T194 PolarHBondContact O-N 3.45Å; L191-T194 VanDerWaalsContact O-N 3.12Å; A192-T194 VanDerWaalsContact C-N 3.33Å; A192-T194 PolarHBondContact O-N 2.83Å; T194-H196 PolarHBondContact O-N 3.34Å; T194-H197 WeakPolarHBondContact O-CB 3.4Å; T194-H197 PolarHBondContact O-N 3.05Å; T194-I198 HydrophobicContact CG2-CD1 4.03Å; T194-I198 VanDerWaalsContact O-CG1 3.26Å; T194-I198 WeakPolarHBondContact O-CG1 3.17Å; T194-I198 PolarHBondContact O-N 2.99Å
195	L	53.8	Low	55.7	Low	8 Å²	8	78.7 Å²	78.7	4%	0.042	36%	0.361	C	S	.	.	H	α-helix	trans	-59.9	-44.5	174.9	-75.2	173	0	0	0	111.9	L48 T128 L131 I135 L191 A192 H197 I198 K199	L48-L195 HydrophobicContact CD2-CD2 4.44Å; T128-L195 HydrophobicContact CG2-CB 4.01Å; T128-L195 HydrophobicContact CG2-CD2 4.46Å; L131-L195 HydrophobicContact CB-CD1 4.06Å; L131-L195 HydrophobicContact CD1-CD1 4.49Å; L131-L195 HydrophobicContact CD1-CD2 4.46Å; I135-L195 HydrophobicContact CD1-CD1 4.41Å; L191-L195 PolarHBondContact O-N 3.21Å; A192-L195 PolarHBondContact O-N 3.15Å; L195-H197 VanDerWaalsContact C-N 3.35Å; L195-H197 PolarHBondContact O-N 3.05Å; L195-I198 PolarHBondContact O-N 3.26Å; L195-K199 PolarHBondContact O-N 3.2Å
196	H	59	Low	55.1	Low	124 Å²	124	79.5 Å²	79.5	57%	0.574	37%	0.366	S	S	*	.	H	α-helix	trans	-61.6	-42.3	175.4	-177.4	82.1	0	0	0	112.3	A192 K193 T194 I198 K199 T200	A192-H196 WeakPolarHBondContact O-CB 3.47Å; A192-H196 PolarHBondContact O-N 3.24Å; K193-H196 PolarHBondContact O-N 3.4Å; T194-H196 PolarHBondContact O-N 3.34Å; H196-I198 VanDerWaalsContact C-N 3.35Å; H196-K199 WeakPolarHBondContact O-CB 3.45Å; H196-K199 PolarHBondContact O-N 3.29Å; H196-T200 WeakPolarHBondContact O-CB 3.38Å; H196-T200 PolarHBondContact O-N 2.8Å; H196-T200 PolarHBondContact O-OG1 2.77Å
197	H	57.3	Low	54.7	Low	89 Å²	89	81.3 Å²	81.3	41%	0.412	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-41	176.4	-173.1	56.8	0	0	0	111.6	K193 T194 L195 T200 R201	K193-H197 WeakPolarHBondContact O-CB 3.43Å; K193-H197 PolarHBondContact O-N 3.04Å; T194-H197 WeakPolarHBondContact O-CB 3.4Å; T194-H197 PolarHBondContact O-N 3.05Å; L195-H197 VanDerWaalsContact C-N 3.35Å; L195-H197 PolarHBondContact O-N 3.05Å; H197-T200 PolarHBondContact O-N 2.93Å; H197-R201 PolarHBondContact CE1-NE 2.88Å; H197-R201 PolarHBondContact NE2-NE 3.12Å; H197-R201 PolarHBondContact NE2-NH2 3.36Å; H197-R201 WeakPolarHBondContact O-CB 3.4Å; H197-R201 PolarHBondContact O-N 3.39Å
198	I	51.8	Low	54.1	Low	38 Å²	38	82.9 Å²	82.9	20%	0.195	37%	0.369	C	S	.	.	H	α-helix	trans	-64.1	-44.9	174.9	-62.9	163.1	0	0	0	110.2	M52 T194 L195 H196 T200 R201 K202	M52-I198 HydrophobicContact CE-CB 3.94Å; M52-I198 HydrophobicContact CE-CD1 4Å; M52-I198 HydrophobicContact CE-CG2 3.22Å; M52-I198 HydrophobicContact SD-CD1 3.7Å; M52-I198 HydrophobicContact SD-CG2 4.13Å; T194-I198 HydrophobicContact CG2-CD1 4.03Å; T194-I198 VanDerWaalsContact O-CG1 3.26Å; T194-I198 WeakPolarHBondContact O-CG1 3.17Å; T194-I198 PolarHBondContact O-N 2.99Å; L195-I198 PolarHBondContact O-N 3.26Å; H196-I198 VanDerWaalsContact C-N 3.35Å; I198-T200 VanDerWaalsContact C-N 3.29Å; I198-T200 PolarHBondContact O-N 2.64Å; I198-R201 PolarHBondContact O-N 3.02Å; I198-K202 WeakPolarHBondContact O-CB 3.15Å; I198-K202 PolarHBondContact O-N 2.93Å
199	K	54.4	Low	53.7	Low	102 Å²	102	82.9 Å²	82.9	44%	0.443	37%	0.369	S	S	.	.	H	α-helix	trans	-54.8	-45.3	173.9	-176.2	174	-175	162	0	111.5	E125 L195 H196 R203	E125-K199 WeakPolarHBondContact OE1-CE 3.49Å; E125-K199 IonicContact OE1-NZ 2.74Å; E125-K199 PolarHBondContact OE1-NZ 3.43Å; L195-K199 PolarHBondContact O-N 3.2Å; H196-K199 WeakPolarHBondContact O-CB 3.45Å; H196-K199 PolarHBondContact O-N 3.29Å; K199-R203 PolarHBondContact O-N 3.16Å; K199-R203 VanDerWaalsContact O-N 3.11Å
200	T	56.4	Low	53.1	Low	73 Å²	73	82.2 Å²	82.2	45%	0.448	37%	0.372	S	S	.	.	H	α-helix	trans	-71.3	-47.7	-178.4	-59.4	0	0	0	0	112.5	H196 H197 I198 K202 R203 F204	H196-T200 WeakPolarHBondContact O-CB 3.38Å; H196-T200 PolarHBondContact O-N 2.8Å; H196-T200 PolarHBondContact O-OG1 2.77Å; H197-T200 PolarHBondContact O-N 2.93Å; I198-T200 VanDerWaalsContact C-N 3.29Å; I198-T200 PolarHBondContact O-N 2.64Å; T200-K202 VanDerWaalsContact C-N 3.29Å; T200-K202 PolarHBondContact O-N 3.28Å; T200-R203 PolarHBondContact O-N 2.97Å; T200-F204 PolarHBondContact O-N 3.02Å
201	R	52.4	Low	52.6	Low	137 Å²	137	84.1 Å²	84.1	52%	0.517	38%	0.379	S	S	.	.	H	α-helix	trans	-59.7	-40.1	174.3	-81.2	-166.9	170	175	4.3	111.1	H197 I198 F204 Y205	H197-R201 PolarHBondContact CE1-NE 2.88Å; H197-R201 PolarHBondContact NE2-NE 3.12Å; H197-R201 PolarHBondContact NE2-NH2 3.36Å; H197-R201 WeakPolarHBondContact O-CB 3.4Å; H197-R201 PolarHBondContact O-N 3.39Å; I198-R201 PolarHBondContact O-N 3.02Å; R201-F204 CarbonylContact O-C 3.58Å; R201-F204 WeakPolarHBondContact O-CA 3.34Å; R201-F204 WeakPolarHBondContact O-CB 3.38Å; R201-F204 PolarHBondContact O-N 3.29Å; R201-F204 VanDerWaalsContact O-N 3.13Å; R201-Y205 HydrophobicContact CB-CD2 4.3Å; R201-Y205 HydrophobicContact CB-CE2 4.17Å; R201-Y205 WeakPolarHBondContact O-CD2 3.3Å; R201-Y205 PolarHBondContact O-N 3.44Å
202	K	50.7	Low	52.3	Low	27 Å²	27	84.8 Å²	84.8	12%	0.117	39%	0.385	C	S	.	.	H	α-helix	trans	-59	-50.2	175.8	-175.2	178.4	-162.8	-177.9	0	111.6	L120 L121 T124 I198 T200 F204 Y205 V206	L120-K202 PolarHBondContact O-NZ 3.05Å; L121-K202 VanDerWaalsContact CA-NZ 3.26Å; L121-K202 HydrophobicContact CD2-CD 3.65Å; L121-K202 HydrophobicContact CD2-CG 3.87Å; L121-K202 PolarHBondContact O-NZ 2.82Å; T124-K202 PolarHBondContact OG1-NZ 3.05Å; I198-K202 WeakPolarHBondContact O-CB 3.15Å; I198-K202 PolarHBondContact O-N 2.93Å; T200-K202 VanDerWaalsContact C-N 3.29Å; T200-K202 PolarHBondContact O-N 3.28Å; K202-F204 PolarHBondContact O-N 3.3Å; K202-Y205 PolarHBondContact O-N 2.9Å; K202-Y205 VanDerWaalsContact O-N 3.14Å; K202-V206 WeakPolarHBondContact O-CG2 3.24Å; K202-V206 PolarHBondContact O-N 2.95Å
203	R	54	Low	51.6	Low	162 Å²	162	85.7 Å²	85.7	61%	0.611	39%	0.385	S	S	*	.	H	α-helix	trans	-56.5	-37.9	175.1	-165.5	178.6	-169.5	-171.1	2.7	111.5	K199 T200 R207	K199-R203 PolarHBondContact O-N 3.16Å; K199-R203 VanDerWaalsContact O-N 3.11Å; T200-R203 PolarHBondContact O-N 2.97Å; R203-R207 VanDerWaalsContact NE-NH2 3.18Å; R203-R207 WeakPolarHBondContact O-CB 3.17Å; R203-R207 WeakPolarHBondContact O-CG 3.32Å; R203-R207 PolarHBondContact O-N 2.88Å
204	F	54.1	Low	51	Low	124 Å²	124	84.6 Å²	84.6	54%	0.544	38%	0.384	S	S	.	.	H	α-helix	trans	-67.6	-47.4	174.9	-178.6	-94.2	0	0	0	112.9	T200 R201 K202 V206 R207 R208	T200-F204 PolarHBondContact O-N 3.02Å; R201-F204 CarbonylContact O-C 3.58Å; R201-F204 WeakPolarHBondContact O-CA 3.34Å; R201-F204 WeakPolarHBondContact O-CB 3.38Å; R201-F204 PolarHBondContact O-N 3.29Å; R201-F204 VanDerWaalsContact O-N 3.13Å; K202-F204 PolarHBondContact O-N 3.3Å; F204-V206 PolarHBondContact O-N 2.83Å; F204-R207 PolarHBondContact O-N 3.01Å; F204-R208 VanDerWaalsContact O-CB 3.3Å; F204-R208 WeakPolarHBondContact O-CB 3.23Å; F204-R208 PolarHBondContact O-N 3Å
205	Y	48.4	Very low	50.9	Low	106 Å²	106	84.7 Å²	84.7	42%	0.416	38%	0.383	S	S	.	.	H	α-helix	trans	-61.8	-43.9	178.3	-80.1	-69.8	0	0	0	112	L56 R201 K202 R208 L209	L56-Y205 HydrophobicContact CD2-CD2 4.13Å; R201-Y205 HydrophobicContact CB-CD2 4.3Å; R201-Y205 HydrophobicContact CB-CE2 4.17Å; R201-Y205 WeakPolarHBondContact O-CD2 3.3Å; R201-Y205 PolarHBondContact O-N 3.44Å; K202-Y205 PolarHBondContact O-N 2.9Å; K202-Y205 VanDerWaalsContact O-N 3.14Å; Y205-R208 PolarHBondContact O-N 3.47Å; Y205-L209 WeakPolarHBondContact O-CB 3.46Å; Y205-L209 PolarHBondContact O-N 3.35Å
206	V	47.5	Very low	50.4	Low	28 Å²	28	88.9 Å²	88.9	17%	0.17	40%	0.399	C	S	.	.	H	α-helix	trans	-63.1	-48.5	176.2	174.5	0	0	0	0	110.6	M59 V117 L121 K202 F204 R208 L209 V210	M59-V206 HydrophobicContact CE-CG2 3.95Å; V117-V206 HydrophobicContact CG1-CG2 4.41Å; L121-V206 HydrophobicContact CD1-CG1 4.41Å; L121-V206 HydrophobicContact CD1-CG2 4.14Å; L121-V206 HydrophobicContact CD2-CG2 4.14Å; K202-V206 WeakPolarHBondContact O-CG2 3.24Å; K202-V206 PolarHBondContact O-N 2.95Å; F204-V206 PolarHBondContact O-N 2.83Å; V206-R208 VanDerWaalsContact C-N 3.26Å; V206-R208 PolarHBondContact O-N 3.45Å; V206-L209 WeakPolarHBondContact O-CB 3.22Å; V206-L209 PolarHBondContact O-N 3.1Å; V206-L209 VanDerWaalsContact O-N 3.15Å; V206-V210 HydrophobicContact CG1-CG2 4.37Å; V206-V210 WeakPolarHBondContact O-CG2 3.38Å; V206-V210 PolarHBondContact O-N 3.11Å
207	R	52.2	Low	49.7	Very low	147 Å²	147	83.6 Å²	83.6	56%	0.555	38%	0.375	S	S	*	.	H	α-helix	trans	-57.6	-40.4	174.9	-78.2	174.2	177.5	175.9	-4.6	112.2	R203 F204 K211	R203-R207 VanDerWaalsContact NE-NH2 3.18Å; R203-R207 WeakPolarHBondContact O-CB 3.17Å; R203-R207 WeakPolarHBondContact O-CG 3.32Å; R203-R207 PolarHBondContact O-N 2.88Å; F204-R207 PolarHBondContact O-N 3.01Å; R207-K211 VanDerWaalsContact O-CB 3.27Å; R207-K211 WeakPolarHBondContact O-CB 3.4Å; R207-K211 PolarHBondContact O-N 2.74Å
208	R	49.7	Very low	49.3	Very low	137 Å²	137	86.7 Å²	86.7	52%	0.517	38%	0.383	S	S	.	.	H	α-helix	trans	-68.7	-39.3	177.9	-171.3	176.1	-178.9	178.2	1.8	111.5	F204 Y205 V206 K211 T212	F204-R208 VanDerWaalsContact O-CB 3.3Å; F204-R208 WeakPolarHBondContact O-CB 3.23Å; F204-R208 PolarHBondContact O-N 3Å; Y205-R208 PolarHBondContact O-N 3.47Å; V206-R208 VanDerWaalsContact C-N 3.26Å; V206-R208 PolarHBondContact O-N 3.45Å; R208-K211 PolarHBondContact O-N 3.45Å; R208-T212 WeakPolarHBondContact O-CB 3.22Å; R208-T212 PolarHBondContact O-N 3.21Å; R208-T212 PolarHBondContact O-OG1 3.01Å
209	L	43.9	Very low	49.1	Very low	17 Å²	17	88.3 Å²	88.3	9%	0.089	40%	0.395	C	S	.	.	H	α-helix	trans	-61.3	-53.6	174.4	-174.5	69.2	0	0	0	109.6	K63 Y205 V206 K211 T212 M213	K63-L209 HydrophobicContact CB-CD1 3.67Å; K63-L209 HydrophobicContact CG-CD1 3.77Å; Y205-L209 WeakPolarHBondContact O-CB 3.46Å; Y205-L209 PolarHBondContact O-N 3.35Å; V206-L209 WeakPolarHBondContact O-CB 3.22Å; V206-L209 PolarHBondContact O-N 3.1Å; V206-L209 VanDerWaalsContact O-N 3.15Å; L209-K211 VanDerWaalsContact C-N 3.33Å; L209-K211 PolarHBondContact O-N 3.08Å; L209-T212 WeakPolarHBondContact O-CB 3.26Å; L209-T212 PolarHBondContact O-N 3.24Å; L209-T212 VanDerWaalsContact O-N 3.08Å; L209-M213 HydrophobicContact CG-SD 4.28Å; L209-M213 VanDerWaalsContact O-CG 3.28Å; L209-M213 WeakPolarHBondContact O-CG 3.2Å; L209-M213 PolarHBondContact O-N 3.2Å
210	V	47.2	Very low	48.6	Very low	72 Å²	72	85.5 Å²	85.5	44%	0.436	38%	0.383	S	S	.	.	H	α-helix	trans	-56.4	-45.9	176.3	172.7	0	0	0	0	111.2	V206 T212 M213 L214	V206-V210 HydrophobicContact CG1-CG2 4.37Å; V206-V210 WeakPolarHBondContact O-CG2 3.38Å; V206-V210 PolarHBondContact O-N 3.11Å; V210-T212 PolarHBondContact O-N 3.5Å; V210-M213 WeakPolarHBondContact O-CB 3.45Å; V210-M213 PolarHBondContact O-N 3.19Å; V210-L214 HydrophobicContact CG1-CD1 4.18Å; V210-L214 WeakPolarHBondContact O-CG 3.47Å; V210-L214 PolarHBondContact O-N 3.38Å
211	K	50	Low	48	Very low	131 Å²	131	86.3 Å²	86.3	57%	0.57	38%	0.378	S	S	*	.	H	α-helix	trans	-61.5	-43.4	176.2	-175.2	179.5	178.1	-178.1	0	112	R207 R208 L209 M213 L214 D215	R207-K211 VanDerWaalsContact O-CB 3.27Å; R207-K211 WeakPolarHBondContact O-CB 3.4Å; R207-K211 PolarHBondContact O-N 2.74Å; R208-K211 PolarHBondContact O-N 3.45Å; L209-K211 VanDerWaalsContact C-N 3.33Å; L209-K211 PolarHBondContact O-N 3.08Å; K211-M213 VanDerWaalsContact C-N 3.3Å; K211-M213 PolarHBondContact O-N 3.35Å; K211-L214 PolarHBondContact O-N 2.96Å; K211-D215 WeakPolarHBondContact O-CB 3.42Å; K211-D215 PolarHBondContact O-N 2.85Å
212	T	45.5	Very low	47.9	Very low	55 Å²	55	86.7 Å²	86.7	34%	0.337	38%	0.384	S	S	.	.	H	α-helix	trans	-64	-38.7	177.6	-53	0	0	0	0	110.7	R208 L209 V210 D215 Y216	R208-T212 WeakPolarHBondContact O-CB 3.22Å; R208-T212 PolarHBondContact O-N 3.21Å; R208-T212 PolarHBondContact O-OG1 3.01Å; L209-T212 WeakPolarHBondContact O-CB 3.26Å; L209-T212 PolarHBondContact O-N 3.24Å; L209-T212 VanDerWaalsContact O-N 3.08Å; V210-T212 PolarHBondContact O-N 3.5Å; T212-D215 PolarHBondContact O-N 3.5Å; T212-Y216 WeakPolarHBondContact O-CB 3.41Å; T212-Y216 PolarHBondContact O-N 2.8Å
213	M	42.9	Very low	47.6	Very low	45 Å²	45	89.1 Å²	89.1	22%	0.222	40%	0.397	C	S	.	.	H	α-helix	trans	-61.3	-44.3	173.1	-66.3	169.8	75.5	0	0	111.2	K110 L209 V210 K211 Y216 D217	K110-M213 HydrophobicContact CG-CE 4.44Å; L209-M213 HydrophobicContact CG-SD 4.28Å; L209-M213 VanDerWaalsContact O-CG 3.28Å; L209-M213 WeakPolarHBondContact O-CG 3.2Å; L209-M213 PolarHBondContact O-N 3.2Å; V210-M213 WeakPolarHBondContact O-CB 3.45Å; V210-M213 PolarHBondContact O-N 3.19Å; K211-M213 VanDerWaalsContact C-N 3.3Å; K211-M213 PolarHBondContact O-N 3.35Å; M213-Y216 PolarHBondContact O-N 3.2Å; M213-D217 PolarHBondContact O-N 3.34Å
214	L	46.6	Very low	47	Very low	96 Å²	96	82 Å²	82	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-65.8	-39.6	176.2	-68.5	170.6	0	0	0	112.6	V210 K211 D217 R218	V210-L214 HydrophobicContact CG1-CD1 4.18Å; V210-L214 WeakPolarHBondContact O-CG 3.47Å; V210-L214 PolarHBondContact O-N 3.38Å; K211-L214 PolarHBondContact O-N 2.96Å; L214-D217 PolarHBondContact O-N 3.19Å; L214-R218 WeakPolarHBondContact O-CG 3.37Å; L214-R218 PolarHBondContact O-N 3.1Å
215	D	50.9	Low	46.7	Very low	61 Å²	61	80.1 Å²	80.1	33%	0.326	37%	0.367	S	S	.	.	H	α-helix	trans	-70.5	-35.1	178.3	-73	-25.8	0	0	0	111.8	K211 T212 R218 T219	K211-D215 WeakPolarHBondContact O-CB 3.42Å; K211-D215 PolarHBondContact O-N 2.85Å; T212-D215 PolarHBondContact O-N 3.5Å; D215-R218 IonicContact OD1-NH1 2.7Å; D215-R218 PolarHBondContact OD1-NH1 3.49Å; D215-R218 VanDerWaalsContact OD1-NH1 3.16Å; D215-T219 PolarHBondContact O-N 3.39Å; D215-T219 VanDerWaalsContact O-N 3.12Å; D215-T219 PolarHBondContact O-OG1 3.39Å
216	Y	44	Very low	46.6	Very low	95 Å²	95	82.5 Å²	82.5	37%	0.373	38%	0.379	S	S	.	.	H	α-helix	trans	-65.7	-45	171.4	-174.1	-91.8	0	0	0	111.4	F66 V67 T212 M213 R218 T219 Q220	F66-Y216 WeakPolarHBondContact O-CD1 3.15Å; F66-Y216 WeakPolarHBondContact O-CE1 3.27Å; V67-Y216 HydrophobicContact CG2-CE1 4.15Å; T212-Y216 WeakPolarHBondContact O-CB 3.41Å; T212-Y216 PolarHBondContact O-N 2.8Å; M213-Y216 PolarHBondContact O-N 3.2Å; Y216-R218 VanDerWaalsContact C-N 3.33Å; Y216-R218 PolarHBondContact O-N 3.27Å; Y216-T219 WeakPolarHBondContact O-CA 3.46Å; Y216-T219 WeakPolarHBondContact O-CB 3.48Å; Y216-T219 PolarHBondContact O-N 2.89Å; Y216-Q220 HydrophobicContact CD1-CG 3.93Å; Y216-Q220 HydrophobicContact CE1-CG 3.5Å; Y216-Q220 VanDerWaalsContact CZ-NE2 3.26Å; Y216-Q220 PolarHBondContact O-N 2.93Å; Y216-Q220 PolarHBondContact OH-NE2 2.83Å
217	D	43.6	Very low	46.2	Very low	14 Å²	14	86.4 Å²	86.4	8%	0.075	40%	0.398	C	S	.	.	H	α-helix	trans	-55.8	-47.1	175.2	-173.8	63.1	0	0	0	111.8	T68 N71 M213 L214 T219 Q220 R221	T68-D217 WeakPolarHBondContact CB-OD1 3.45Å; T68-D217 HydrophobicContact CG2-CB 4.21Å; T68-D217 PolarHBondContact OG1-OD1 3.18Å; N71-D217 PolarHBondContact ND2-OD1 2.96Å; M213-D217 PolarHBondContact O-N 3.34Å; L214-D217 PolarHBondContact O-N 3.19Å; D217-T219 VanDerWaalsContact C-N 3.25Å; D217-T219 PolarHBondContact O-N 3.47Å; D217-Q220 PolarHBondContact O-N 2.84Å; D217-R221 WeakPolarHBondContact O-CG 3.49Å; D217-R221 PolarHBondContact O-N 2.99Å; D217-R221 IonicContact OD2-CZ 3.84Å; D217-R221 IonicContact OD2-NE 3.16Å; D217-R221 PolarHBondContact OD2-NE 3.31Å; D217-R221 IonicContact OD2-NH2 2.98Å; D217-R221 PolarHBondContact OD2-NH2 3.36Å
218	R	49	Very low	45.9	Very low	153 Å²	153	80.1 Å²	80.1	58%	0.577	38%	0.376	S	S	*	.	H	α-helix	trans	-58.6	-37.6	174.9	-73.4	168.6	175	173.8	-5.6	112.8	L214 D215 Y216 K222	L214-R218 WeakPolarHBondContact O-CG 3.37Å; L214-R218 PolarHBondContact O-N 3.1Å; D215-R218 IonicContact OD1-NH1 2.7Å; D215-R218 PolarHBondContact OD1-NH1 3.49Å; D215-R218 VanDerWaalsContact OD1-NH1 3.16Å; Y216-R218 VanDerWaalsContact C-N 3.33Å; Y216-R218 PolarHBondContact O-N 3.27Å; R218-K222 WeakPolarHBondContact O-CG 3.45Å; R218-K222 PolarHBondContact O-N 3.06Å
219	T	47	Very low	45.8	Very low	73 Å²	73	80.1 Å²	80.1	45%	0.448	38%	0.379	S	S	.	.	H	α-helix	trans	-69.7	-42.3	179	-57.1	0	0	0	0	110.9	D215 Y216 D217 K222 I223	D215-T219 PolarHBondContact O-N 3.39Å; D215-T219 VanDerWaalsContact O-N 3.12Å; D215-T219 PolarHBondContact O-OG1 3.39Å; Y216-T219 WeakPolarHBondContact O-CA 3.46Å; Y216-T219 WeakPolarHBondContact O-CB 3.48Å; Y216-T219 PolarHBondContact O-N 2.89Å; D217-T219 VanDerWaalsContact C-N 3.25Å; D217-T219 PolarHBondContact O-N 3.47Å; T219-K222 WeakPolarHBondContact O-CB 3.35Å; T219-K222 PolarHBondContact O-N 2.85Å; T219-I223 HydrophobicContact CG2-CD1 4.36Å; T219-I223 WeakPolarHBondContact O-CG1 3.34Å; T219-I223 PolarHBondContact O-N 3.14Å; T219-I223 VanDerWaalsContact O-N 3.11Å
220	Q	44	Very low	45.9	Very low	43 Å²	43	82 Å²	82	20%	0.201	40%	0.397	C	S	.	.	H	α-helix	trans	-63.1	-46.4	175.6	-69.2	-58.5	-26.7	0	0	112.1	Y216 D217 K222 I223 I224	Y216-Q220 HydrophobicContact CD1-CG 3.93Å; Y216-Q220 HydrophobicContact CE1-CG 3.5Å; Y216-Q220 VanDerWaalsContact CZ-NE2 3.26Å; Y216-Q220 PolarHBondContact O-N 2.93Å; Y216-Q220 PolarHBondContact OH-NE2 2.83Å; D217-Q220 PolarHBondContact O-N 2.84Å; Q220-K222 PolarHBondContact O-N 3.05Å; Q220-I223 PolarHBondContact O-N 3.49Å; Q220-I224 WeakPolarHBondContact O-CG1 3.38Å; Q220-I224 PolarHBondContact O-N 3.26Å
221	R	44.8	Very low	45.7	Very low	89 Å²	89	80.9 Å²	80.9	34%	0.336	39%	0.39	S	S	.	.	H	α-helix	trans	-54.2	-39.9	173.6	-72.3	-179.1	-163.9	-128.5	1.9	112.5	N71 D217 N225	N71-R221 WeakPolarHBondContact OD1-CG 3.3Å; D217-R221 WeakPolarHBondContact O-CG 3.49Å; D217-R221 PolarHBondContact O-N 2.99Å; D217-R221 IonicContact OD2-CZ 3.84Å; D217-R221 IonicContact OD2-NE 3.16Å; D217-R221 PolarHBondContact OD2-NE 3.31Å; D217-R221 IonicContact OD2-NH2 2.98Å; D217-R221 PolarHBondContact OD2-NH2 3.36Å; R221-N225 WeakPolarHBondContact O-CB 3.4Å; R221-N225 PolarHBondContact O-N 2.92Å; R221-N225 PolarHBondContact O-ND2 3.11Å
222	K	49.5	Very low	45.5	Very low	146 Å²	146	79.7 Å²	79.7	64%	0.635	39%	0.387	S	S	*	.	H	α-helix	trans	-65.8	-40.4	176.6	-75.9	176.2	-178.6	-179.5	0	112.4	R218 T219 Q220 K226	R218-K222 WeakPolarHBondContact O-CG 3.45Å; R218-K222 PolarHBondContact O-N 3.06Å; T219-K222 WeakPolarHBondContact O-CB 3.35Å; T219-K222 PolarHBondContact O-N 2.85Å; Q220-K222 PolarHBondContact O-N 3.05Å; K222-K226 WeakPolarHBondContact O-CG 3.47Å; K222-K226 PolarHBondContact O-N 2.95Å; K222-K226 VanDerWaalsContact O-N 3.14Å
223	I	44.2	Very low	45.6	Very low	77 Å²	77	81.6 Å²	81.6	40%	0.395	40%	0.399	S	S	.	.	H	α-helix	trans	-66.6	-45.8	177.8	-66.2	167.6	0	0	0	109.9	T219 Q220 N225 K226 L227	T219-I223 HydrophobicContact CG2-CD1 4.36Å; T219-I223 WeakPolarHBondContact O-CG1 3.34Å; T219-I223 PolarHBondContact O-N 3.14Å; T219-I223 VanDerWaalsContact O-N 3.11Å; Q220-I223 PolarHBondContact O-N 3.49Å; I223-N225 PolarHBondContact O-N 3.15Å; I223-K226 WeakPolarHBondContact O-CB 3.29Å; I223-K226 PolarHBondContact O-N 3.11Å; I223-K226 VanDerWaalsContact O-N 3.1Å; I223-L227 HydrophobicContact CG2-CD1 4.19Å; I223-L227 PolarHBondContact O-N 3.47Å
224	I	43.1	Very low	45.7	Very low	14 Å²	14	82.2 Å²	82.2	7%	0.072	41%	0.411	C	S	.	.	H	α-helix	trans	-58.4	-50.6	177.2	-69.1	166.9	0	0	0	110.6	N71 L75 Q220 K226 L227 L228	N71-I224 HydrophobicContact CB-CD1 3.71Å; L75-I224 HydrophobicContact CD1-CB 4.36Å; L75-I224 HydrophobicContact CD1-CD1 4.08Å; L75-I224 HydrophobicContact CD1-CG1 3.94Å; L75-I224 HydrophobicContact CD1-CG2 3.55Å; Q220-I224 WeakPolarHBondContact O-CG1 3.38Å; Q220-I224 PolarHBondContact O-N 3.26Å; I224-K226 PolarHBondContact O-N 3.41Å; I224-L227 WeakPolarHBondContact O-CB 3.26Å; I224-L227 PolarHBondContact O-N 3.06Å; I224-L228 HydrophobicContact CG2-CD1 3.77Å; I224-L228 HydrophobicContact CG2-CG 4.16Å; I224-L228 WeakPolarHBondContact O-CG 3.29Å; I224-L228 PolarHBondContact O-N 3.34Å
225	N	46.9	Very low	45.7	Very low	84 Å²	84	81.6 Å²	81.6	45%	0.449	41%	0.407	S	S	.	.	H	α-helix	trans	-58.2	-32.6	177.1	-82.1	-56	0	0	0	113	R221 I223 K229	R221-N225 WeakPolarHBondContact O-CB 3.4Å; R221-N225 PolarHBondContact O-N 2.92Å; R221-N225 PolarHBondContact O-ND2 3.11Å; I223-N225 PolarHBondContact O-N 3.15Å; N225-K229 WeakPolarHBondContact O-CB 3.4Å; N225-K229 VanDerWaalsContact O-CG 3.3Å; N225-K229 WeakPolarHBondContact O-CG 3.45Å; N225-K229 PolarHBondContact O-N 2.59Å; N225-K229 VanDerWaalsContact O-N 3.13Å
226	K	46.1	Very low	45.7	Very low	156 Å²	156	83 Å²	83	68%	0.678	43%	0.427	S	S	*	.	H	α-helix	trans	-69.5	-43	173.1	-75	176.5	178.1	-173.4	0	111.9	K222 I223 I224 A230	K222-K226 WeakPolarHBondContact O-CG 3.47Å; K222-K226 PolarHBondContact O-N 2.95Å; K222-K226 VanDerWaalsContact O-N 3.14Å; I223-K226 WeakPolarHBondContact O-CB 3.29Å; I223-K226 PolarHBondContact O-N 3.11Å; I223-K226 VanDerWaalsContact O-N 3.1Å; I224-K226 PolarHBondContact O-N 3.41Å; K226-A230 WeakPolarHBondContact O-CB 3.44Å; K226-A230 PolarHBondContact O-N 3.46Å
227	L	40.1	Very low	46	Very low	109 Å²	109	82.7 Å²	82.7	57%	0.571	44%	0.439	S	S	*	.	H	α-helix	trans	-64.4	-46	177.7	-70.7	171.2	0	0	0	111.3	I223 I224 K229 A230 V231	I223-L227 HydrophobicContact CG2-CD1 4.19Å; I223-L227 PolarHBondContact O-N 3.47Å; I224-L227 WeakPolarHBondContact O-CB 3.26Å; I224-L227 PolarHBondContact O-N 3.06Å; L227-K229 PolarHBondContact O-N 2.96Å; L227-A230 WeakPolarHBondContact O-CB 3.3Å; L227-A230 PolarHBondContact O-N 3.47Å; L227-A230 VanDerWaalsContact O-N 3.11Å; L227-V231 WeakPolarHBondContact O-CG2 3.41Å; L227-V231 PolarHBondContact O-N 2.83Å
228	L	44.5	Very low	45.9	Very low	15 Å²	15	87.4 Å²	87.4	8%	0.079	46%	0.456	C	S	.	.	H	α-helix	trans	-59.4	-46.3	176.9	-69.1	174.8	0	0	0	111.5	H78 I224 A230 V231 E232	H78-L228 HydrophobicContact CB-CD1 4.41Å; H78-L228 HydrophobicContact CB-CD2 3.58Å; I224-L228 HydrophobicContact CG2-CD1 3.77Å; I224-L228 HydrophobicContact CG2-CG 4.16Å; I224-L228 WeakPolarHBondContact O-CG 3.29Å; I224-L228 PolarHBondContact O-N 3.34Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 3.11Å; L228-V231 PolarHBondContact O-N 3.15Å; L228-V231 VanDerWaalsContact O-N 3.15Å; L228-E232 PolarHBondContact O-N 3.13Å
229	K	49	Very low	45.8	Very low	137 Å²	137	90.8 Å²	90.8	60%	0.596	47%	0.469	S	S	*	.	H	α-helix	trans	-60.6	-38.3	173.5	-78.4	-177.5	178	-171.4	0	113.2	N225 L227 V231 E232 T233	N225-K229 WeakPolarHBondContact O-CB 3.4Å; N225-K229 VanDerWaalsContact O-CG 3.3Å; N225-K229 WeakPolarHBondContact O-CG 3.45Å; N225-K229 PolarHBondContact O-N 2.59Å; N225-K229 VanDerWaalsContact O-N 3.13Å; L227-K229 PolarHBondContact O-N 2.96Å; K229-V231 VanDerWaalsContact C-N 3.31Å; K229-E232 PolarHBondContact O-N 2.89Å; K229-T233 WeakPolarHBondContact O-CB 3.33Å; K229-T233 PolarHBondContact O-N 3.47Å; K229-T233 PolarHBondContact O-OG1 3.13Å
230	A	45.7	Very low	45.8	Very low	56 Å²	56	91.5 Å²	91.5	46%	0.463	48%	0.475	S	S	.	.	H	α-helix	trans	-64.5	-40.3	176.6	0	0	0	0	0	111	K226 L227 L228 T233 A234	K226-A230 WeakPolarHBondContact O-CB 3.44Å; K226-A230 PolarHBondContact O-N 3.46Å; L227-A230 WeakPolarHBondContact O-CB 3.3Å; L227-A230 PolarHBondContact O-N 3.47Å; L227-A230 VanDerWaalsContact O-N 3.11Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 3.11Å; A230-T233 PolarHBondContact O-N 3.33Å; A230-A234 WeakPolarHBondContact O-CB 3.11Å; A230-A234 PolarHBondContact O-N 2.82Å
231	V	42.6	Very low	45.8	Very low	49 Å²	49	93.6 Å²	93.6	30%	0.297	50%	0.499	S	S	.	.	H	α-helix	trans	-66.5	-46.9	175	175.7	0	0	0	0	111.4	L82 L227 L228 K229 T233 A234 M235	L82-V231 HydrophobicContact CD1-CG1 3.72Å; L82-V231 HydrophobicContact CD2-CG1 3.35Å; L82-V231 HydrophobicContact CG-CG1 4.04Å; L227-V231 WeakPolarHBondContact O-CG2 3.41Å; L227-V231 PolarHBondContact O-N 2.83Å; L228-V231 PolarHBondContact O-N 3.15Å; L228-V231 VanDerWaalsContact O-N 3.15Å; K229-V231 VanDerWaalsContact C-N 3.31Å; V231-T233 VanDerWaalsContact C-N 3.26Å; V231-T233 PolarHBondContact O-N 2.9Å; V231-A234 CarbonylContact O-C 3.55Å; V231-A234 WeakPolarHBondContact O-CB 3.47Å; V231-A234 PolarHBondContact O-N 3.4Å; V231-A234 VanDerWaalsContact O-N 3.11Å; V231-M235 HydrophobicContact CG1-CG 4.37Å; V231-M235 WeakPolarHBondContact O-CG 3.45Å; V231-M235 PolarHBondContact O-N 3.37Å
232	E	46.1	Very low	45.7	Very low	106 Å²	106	93.8 Å²	93.8	50%	0.495	52%	0.52	S	S	.	.	H	α-helix	trans	-56	-42.3	173.5	-75.6	176.6	166	0	0	111.9	L228 K229 M235 A236	L228-E232 PolarHBondContact O-N 3.13Å; K229-E232 PolarHBondContact O-N 2.89Å; E232-M235 PolarHBondContact O-N 3.03Å; E232-A236 WeakPolarHBondContact O-CB 3.36Å; E232-A236 PolarHBondContact O-N 2.81Å
233	T	48.1	Very low	45.4	Very low	95 Å²	95	92.4 Å²	92.4	58%	0.583	52%	0.524	S	S	*	.	H	α-helix	trans	-65.5	-40.8	177	-54.2	0	0	0	0	111.3	K229 A230 V231 A236 S237	K229-T233 WeakPolarHBondContact O-CB 3.33Å; K229-T233 PolarHBondContact O-N 3.47Å; K229-T233 PolarHBondContact O-OG1 3.13Å; A230-T233 PolarHBondContact O-N 3.33Å; V231-T233 VanDerWaalsContact C-N 3.26Å; V231-T233 PolarHBondContact O-N 2.9Å; T233-A236 PolarHBondContact O-N 2.7Å; T233-S237 WeakPolarHBondContact O-CB 3.39Å; T233-S237 PolarHBondContact O-N 2.99Å; T233-S237 PolarHBondContact O-OG 2.99Å
234	A	45.1	Very low	45.2	Very low	58 Å²	58	93.7 Å²	93.7	48%	0.479	55%	0.546	S	S	.	.	H	α-helix	trans	-64.3	-40.3	174.8	0	0	0	0	0	111.6	A230 V231 S237 Y238	A230-A234 WeakPolarHBondContact O-CB 3.11Å; A230-A234 PolarHBondContact O-N 2.82Å; V231-A234 CarbonylContact O-C 3.55Å; V231-A234 WeakPolarHBondContact O-CB 3.47Å; V231-A234 PolarHBondContact O-N 3.4Å; V231-A234 VanDerWaalsContact O-N 3.11Å; A234-S237 WeakPolarHBondContact CA-OG 3.25Å; A234-S237 PolarHBondContact O-N 3.31Å; A234-S237 PolarHBondContact O-OG 3.49Å; A234-Y238 WeakPolarHBondContact O-CB 3.41Å; A234-Y238 PolarHBondContact O-N 3.4Å
235	M	45.7	Very low	45	Very low	84 Å²	84	101.4 Å²	101.4	41%	0.414	58%	0.581	S	S	.	*	H	α-helix	trans	-68.2	-40	174.6	-67.3	-164.5	-45.5	0	0	112.3	L82 L85 V231 E232 S237 Y238	L82-M235 HydrophobicContact CD2-SD 3.89Å; L85-M235 HydrophobicContact CD1-SD 4.17Å; V231-M235 HydrophobicContact CG1-CG 4.37Å; V231-M235 WeakPolarHBondContact O-CG 3.45Å; V231-M235 PolarHBondContact O-N 3.37Å; E232-M235 PolarHBondContact O-N 3.03Å; M235-S237 VanDerWaalsContact C-N 3.29Å; M235-S237 PolarHBondContact O-N 2.78Å; M235-Y238 VanDerWaalsContact O-CB 3.25Å; M235-Y238 WeakPolarHBondContact O-CB 3.45Å; M235-Y238 PolarHBondContact O-N 3.43Å; M235-Y238 VanDerWaalsContact O-N 3.13Å
236	A	50.9	Low	44.4	Very low	91 Å²	91	104.7 Å²	104.7	75%	0.752	60%	0.599	S	S	*	*	H	α-helix	trans	-67.7	-31.6	178.2	0	0	0	0	0	112.3	E232 T233 Y238	E232-A236 WeakPolarHBondContact O-CB 3.36Å; E232-A236 PolarHBondContact O-N 2.81Å; T233-A236 PolarHBondContact O-N 2.7Å; A236-Y238 VanDerWaalsContact C-N 3.34Å
237	S	49.7	Very low	44.1	Very low	88 Å²	88	107 Å²	107	62%	0.615	61%	0.609	S	S	*	*	H	α-helix	trans	-83.1	-12.6	173.4	52.6	0	0	0	0	113.2	T233 A234 M235 R239	T233-S237 WeakPolarHBondContact O-CB 3.39Å; T233-S237 PolarHBondContact O-N 2.99Å; T233-S237 PolarHBondContact O-OG 2.99Å; A234-S237 WeakPolarHBondContact CA-OG 3.25Å; A234-S237 PolarHBondContact O-N 3.31Å; A234-S237 PolarHBondContact O-OG 3.49Å; M235-S237 VanDerWaalsContact C-N 3.29Å; M235-S237 PolarHBondContact O-N 2.78Å; S237-R239 PolarHBondContact O-N 2.82Å
238	Y	42.9	Very low	44	Very low	113 Å²	113	112 Å²	112	44%	0.443	63%	0.626	S	S	.	*			trans	-68.2	99.6	174.5	-173.4	-91.2	0	0	0	109.4	M86 A234 M235 A236 P240	M86-Y238 HydrophobicContact CE-CE1 3.49Å; M86-Y238 VanDerWaalsContact CE-CE1 3.49Å; M86-Y238 WeakPolarHBondContact CE-OH 3.48Å; M86-Y238 HydrophobicContact SD-CD1 3.63Å; M86-Y238 HydrophobicContact SD-CE1 3.11Å; M86-Y238 WeakPolarHBondContact SD-CE1 3.36Å; A234-Y238 WeakPolarHBondContact O-CB 3.41Å; A234-Y238 PolarHBondContact O-N 3.4Å; M235-Y238 VanDerWaalsContact O-CB 3.25Å; M235-Y238 WeakPolarHBondContact O-CB 3.45Å; M235-Y238 PolarHBondContact O-N 3.43Å; M235-Y238 VanDerWaalsContact O-N 3.13Å; A236-Y238 VanDerWaalsContact C-N 3.34Å; Y238-P240 HydrophobicContact CE1-CB 3.96Å; Y238-P240 WeakPolarHBondContact O-CD 3.39Å
239	R	45.8	Very low	43.7	Very low	223 Å²	223	116.7 Å²	116.7	84%	0.842	66%	0.66	S	S	*	*			trans	-81.1	114.6	161.2	-71.2	-177.3	178.8	-179.7	-0.1	106.4	S237 A241	S237-R239 PolarHBondContact O-N 2.82Å; R239-A241 PolarHBondContact O-N 2.78Å; R239-A241 VanDerWaalsContact O-N 3.13Å
240	P	46.8	Very low	43.2	Very low	88 Å²	88	120.3 Å²	120.3	57%	0.571	68%	0.676	S	S	*	*			trans	-53.2	128.6	168.1	21.4	-29.3	0	0	0	106.7	Y238 A242	Y238-P240 HydrophobicContact CE1-CB 3.96Å; Y238-P240 WeakPolarHBondContact O-CD 3.39Å; P240-A242 VanDerWaalsContact C-N 3.31Å; P240-A242 PolarHBondContact O-N 3.13Å
241	A	43.8	Very low	42.8	Very low	87 Å²	87	122.8 Å²	122.8	72%	0.719	69%	0.69	S	S	*	*			trans	-53	106.5	170.5	0	0	0	0	0	105.5	R239 T243	R239-A241 PolarHBondContact O-N 2.78Å; R239-A241 VanDerWaalsContact O-N 3.13Å; A241-T243 PolarHBondContact O-N 2.94Å
242	A	43.7	Very low	42.3	Very low	93 Å²	93	129 Å²	129	77%	0.769	72%	0.715	S	S	*	*			trans	-51.3	112.2	176.6	0	0	0	0	0	105.2	P240 A244	P240-A242 VanDerWaalsContact C-N 3.31Å; P240-A242 PolarHBondContact O-N 3.13Å; A242-A244 PolarHBondContact O-N 2.9Å
243	T	41.9	Very low	42	Very low	118 Å²	118	132.1 Å²	132.1	72%	0.724	74%	0.735	S	S	*	*			trans	-41.6	101.1	-173.7	35.1	0	0	0	0	109.4	A241 H245	A241-T243 PolarHBondContact O-N 2.94Å; T243-H245 PolarHBondContact O-N 2.85Å
244	A	41.6	Very low	41.7	Very low	103 Å²	103	137.2 Å²	137.2	85%	0.851	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	13.7	177.3	0	0	0	0	0	112.7	A242	A242-A244 PolarHBondContact O-N 2.9Å
245	H	37.3	Very low	41.4	Very low	176 Å²	176	142.3 Å²	142.3	82%	0.815	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-5.3	-170	-91.4	-67.8	0	0	0	115.2	T243	T243-H245 PolarHBondContact O-N 2.85Å
246	D	35.7	Very low	41.1	Very low	154 Å²	154	143.9 Å²	143.9	82%	0.824	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	20.4	-165.6	-129.8	8.3	0	0	0	116.7
247	K	38	Very low	40.1	Very low	205 Å²	205	152.5 Å²	152.5	89%	0.891	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.4	19.3	178.6	-76.3	-165.6	179.5	179.6	0	117.7
248	K	38.7	Very low	39.6	Very low	212 Å²	212	155.8 Å²	155.8	92%	0.922	82%	0.822	S	S	*	*			trans	-129.8	62.8	170	-77.9	-171.4	177.2	179.9	0	112.6
249	S	39.5	Very low	39.4	Very low	115 Å²	115	158 Å²	158	80%	0.804	84%	0.842	S	S	*	*			trans	-146.2	69.3	163.5	179.4	0	0	0	0	110.1
250	K	36.5	Very low	39.1	Very low	213 Å²	213	154.4 Å²	154.4	93%	0.926	84%	0.842	S	S	*	*			trans	-141.7	68	164.3	-79.5	-164.4	177.9	-174.5	0	108.7
251	S	37.9	Very low	38.6	Very low	108 Å²	108	158.3 Å²	158.3	76%	0.755	86%	0.858	S	S	*	*			trans	-158	67.4	169.6	61.9	0	0	0	0	110
252	H	33	Very low	38.3	Very low	179 Å²	179	162.8 Å²	162.8	83%	0.829	87%	0.867	S	S	*	*			trans	-156.8	53.7	165.9	-136.8	-68.3	0	0	0	112.7
253	D	40.1	Very low	37.9	Very low	171 Å²	171	167.4 Å²	167.4	91%	0.914	87%	0.873	S	S	*	*			trans	-136.3	25	173.3	-97.8	-19	0	0	0	113
254	F	41.6	Very low	37.7	Very low	202 Å²	202	170.9 Å²	170.9	89%	0.886	88%	0.884	S	S	*	*	S	Bend	trans	-108.3	13	-178.6	-149.8	-98.5	0	0	0	115.4
255	L	37.5	Very low	37.3	Very low	166 Å²	166	176.2 Å²	176.2	87%	0.869	89%	0.886	S	S	*	*	S	Bend	trans	-137.3	56.3	-179.7	-76.6	167.3	0	0	0	112.3
256	S	39.9	Very low	37.4	Very low	116 Å²	116	176.2 Å²	176.2	81%	0.811	89%	0.892	S	S	*	*			trans	-147.5	85.9	165.2	-70.4	0	0	0	0	110.1
257	Q	29.8	Very low	37.5	Very low	273 Å²	273	178.2 Å²	178.2	100%	1.276	90%	0.899	S	S	*	*			trans	71.6	0	161.4	-64.5	-179.9	-11.8	0	0	118.9

Retrieved 257 of 257 residues in 420.8 ms (Link to these results)

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