A0A5K4F7B7_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4F7B7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 167 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	38.4	Very low	39.7	Very low	252 Å²	252	150.2 Å²	150.2	100%	1.241	72%	0.72	S	S	*	*				0	117.9	0	-80.6	169.7	171.8	0	0	107.6
2	K	33.1	Very low	39.6	Very low	181 Å²	181	143.7 Å²	143.7	79%	0.787	69%	0.691	S	S	*	*			trans	-90	140.3	-168.7	-94.4	-179.6	175.5	178	0	111.3
3	M	32.2	Very low	39.9	Very low	153 Å²	153	141.2 Å²	141.2	75%	0.754	70%	0.696	S	S	*	*			trans	71.7	152.4	146.4	-61.8	170.5	-35.5	0	0	116.1
4	W	34.1	Very low	40	Very low	221 Å²	221	146.4 Å²	146.4	84%	0.837	70%	0.704	S	S	*	*			trans	121.7	-6.6	166.4	-64	101.2	0	0	0	118.9
5	I	40.5	Very low	39.9	Very low	125 Å²	125	150.7 Å²	150.7	64%	0.641	71%	0.71	S	S	*	*	S	Bend	trans	-91.7	-18.6	-176.6	-61.1	176.8	0	0	0	114.1	F8 L9	I5-F8 PolarHBondContact O-N 3.26Å; I5-L9 HydrophobicContact CG2-CD1 3.92Å; I5-L9 HydrophobicContact CG2-CG 4.25Å; I5-L9 PolarHBondContact O-N 3.12Å
6	E	44.5	Very low	39.5	Very low	167 Å²	167	149.8 Å²	149.8	78%	0.78	70%	0.703	S	S	*	*	H	α-helix	trans	-66.2	-31.3	-176.1	-71.3	179.3	155.6	0	0	116.2
7	P	44.1	Very low	39	Very low	78 Å²	78	145.2 Å²	145.2	51%	0.506	71%	0.705	S	S	.	*	H	α-helix	trans	-75.3	-23.4	174.1	-15.6	30.1	0	0	0	113.9	L11	P7-L11 PolarHBondContact O-N 2.89Å
8	F	39.4	Very low	38.6	Very low	140 Å²	140	147.3 Å²	147.3	61%	0.614	71%	0.71	S	S	*	*	H	α-helix	trans	-81.5	-34.5	-173.5	-148.7	-93.6	0	0	0	112	I5 L11 L12	I5-F8 PolarHBondContact O-N 3.26Å; F8-L11 PolarHBondContact O-N 3Å; F8-L12 HydrophobicContact CD1-CD1 4.14Å; F8-L12 HydrophobicContact CD1-CG 4.49Å; F8-L12 HydrophobicContact CE1-CD1 4.45Å; F8-L12 WeakPolarHBondContact O-CG 3.43Å; F8-L12 PolarHBondContact O-N 2.96Å; F8-L12 VanDerWaalsContact O-N 3.16Å
9	L	42.4	Very low	38.4	Very low	105 Å²	105	145.3 Å²	145.3	55%	0.55	71%	0.712	S	S	.	*	H	α-helix	trans	-68.4	-35.4	175.3	-73.9	165.5	0	0	0	112.4	I5 L11 L12 C13	I5-L9 HydrophobicContact CG2-CD1 3.92Å; I5-L9 HydrophobicContact CG2-CG 4.25Å; I5-L9 PolarHBondContact O-N 3.12Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 2.97Å; L9-L12 PolarHBondContact O-N 3.49Å; L9-C13 PolarHBondContact O-N 3.09Å; L9-C13 VanDerWaalsContact O-N 3.15Å; L9-C13 PolarHBondContact O-SG 3.09Å
10	L	46.6	Very low	38.3	Very low	132 Å²	132	143.5 Å²	143.5	69%	0.691	71%	0.709	S	S	*	*	H	α-helix	trans	-70.3	-27.4	174.9	-71.2	169.4	0	0	0	113	R14	L10-R14 PolarHBondContact O-N 3.49Å
11	L	41.3	Very low	38.6	Very low	98 Å²	98	138.8 Å²	138.8	51%	0.513	69%	0.69	S	S	.	*	H	α-helix	trans	-74.7	-36.2	173	-81	163	0	0	0	112.3	P7 F8 L9 R14 W15	P7-L11 PolarHBondContact O-N 2.89Å; F8-L11 PolarHBondContact O-N 3Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 2.97Å; L11-R14 PolarHBondContact O-N 3.33Å; L11-W15 PolarHBondContact O-N 3.34Å
12	L	38.4	Very low	39.3	Very low	72 Å²	72	131.9 Å²	131.9	38%	0.377	66%	0.659	S	S	.	*	H	α-helix	trans	-68.7	-37.7	176.5	-71.6	171.4	0	0	0	112.3	F8 L9 R14 W15 F16	F8-L12 HydrophobicContact CD1-CD1 4.14Å; F8-L12 HydrophobicContact CD1-CG 4.49Å; F8-L12 HydrophobicContact CE1-CD1 4.45Å; F8-L12 WeakPolarHBondContact O-CG 3.43Å; F8-L12 PolarHBondContact O-N 2.96Å; F8-L12 VanDerWaalsContact O-N 3.16Å; L9-L12 PolarHBondContact O-N 3.49Å; L12-R14 PolarHBondContact O-N 2.99Å; L12-W15 PolarHBondContact O-N 3.2Å; L12-F16 HydrophobicContact CD2-CD2 3.83Å; L12-F16 HydrophobicContact CD2-CE2 3.59Å; L12-F16 PolarHBondContact O-N 3.11Å; L12-F16 VanDerWaalsContact O-N 3.16Å
13	C	43.8	Very low	40	Very low	111 Å²	111	127 Å²	127	75%	0.75	64%	0.644	S	S	*	*	H	α-helix	trans	-64.9	-23.9	171.9	-68.9	0	0	0	0	113.3	L9	L9-C13 PolarHBondContact O-N 3.09Å; L9-C13 VanDerWaalsContact O-N 3.15Å; L9-C13 PolarHBondContact O-SG 3.09Å
14	R	40.7	Very low	41.2	Very low	215 Å²	215	123.4 Å²	123.4	81%	0.811	63%	0.631	S	S	*	*	H	α-helix	trans	-91.1	-24.3	179	-168.5	166.3	174.2	148.1	-3.3	113.5	L10 L11 L12	L10-R14 PolarHBondContact O-N 3.49Å; L11-R14 PolarHBondContact O-N 3.33Å; L12-R14 PolarHBondContact O-N 2.99Å
15	W	38.1	Very low	42.4	Very low	211 Å²	211	118 Å²	118	80%	0.799	62%	0.615	S	S	*	*	H	α-helix	trans	-95.4	-27.7	-177.3	-97.8	62.9	0	0	0	114.7	L11 L12	L11-W15 PolarHBondContact O-N 3.34Å; L12-W15 PolarHBondContact O-N 3.2Å
16	F	34.1	Very low	42.9	Very low	136 Å²	136	112.5 Å²	112.5	60%	0.596	59%	0.586	S	S	*	*	S	Bend	trans	-101.6	9	-171.4	-78	-78.3	0	0	0	116.2	L12 F18	L12-F16 HydrophobicContact CD2-CD2 3.83Å; L12-F16 HydrophobicContact CD2-CE2 3.59Å; L12-F16 PolarHBondContact O-N 3.11Å; L12-F16 VanDerWaalsContact O-N 3.16Å; F16-F18 WeakPolarHBondContact O-CB 3.26Å; F16-F18 WeakPolarHBondContact O-CD2 3.45Å; F16-F18 PolarHBondContact O-N 3.26Å
17	G	32	Very low	43.6	Very low	71 Å²	71	107 Å²	107	73%	0.732	57%	0.567	S	S	*	*			trans	45.4	16.2	150.4	0	0	0	0	0	121.3
18	F	31.5	Very low	44.6	Very low	183 Å²	183	109.3 Å²	109.3	80%	0.803	57%	0.571	S	S	*	*			trans	-115.3	76.8	-168	-91	-78.8	0	0	0	111.2	F16 V20	F16-F18 WeakPolarHBondContact O-CB 3.26Å; F16-F18 WeakPolarHBondContact O-CD2 3.45Å; F16-F18 PolarHBondContact O-N 3.26Å; F18-V20 HydrophobicContact CD1-CG2 4.12Å
19	C	34.1	Very low	45.6	Very low	110 Å²	110	104.6 Å²	104.6	74%	0.743	56%	0.555	S	S	*	*			trans	-103.1	99.5	149.1	-71.6	0	0	0	0	107.3	S21 R112	C19-S21 VanDerWaalsContact C-N 3.29Å; C19-S21 PolarHBondContact O-N 3.47Å; C19-S21 VanDerWaalsContact O-N 3.12Å; C19-R112 PolarHBondContact O-NH2 3.28Å
20	V	35.9	Very low	46.5	Very low	108 Å²	108	101.5 Å²	101.5	66%	0.655	54%	0.536	S	S	*	.			trans	-76.7	88.9	165.4	178.7	0	0	0	0	106.1	F18 M116	F18-V20 HydrophobicContact CD1-CG2 4.12Å; V20-M116 HydrophobicContact CG1-CE 4.06Å
21	S	46.3	Very low	47.6	Very low	45 Å²	45	99.6 Å²	99.6	32%	0.315	52%	0.524	S	S	.	.			trans	-72.5	141.4	168.5	0.1	0	0	0	0	109.9	C19 E25 I26	C19-S21 VanDerWaalsContact C-N 3.29Å; C19-S21 PolarHBondContact O-N 3.47Å; C19-S21 VanDerWaalsContact O-N 3.12Å; S21-E25 WeakPolarHBondContact CB-OE2 3.47Å; S21-I26 VanDerWaalsContact O-CD1 3.25Å; S21-I26 WeakPolarHBondContact O-CD1 3.02Å
22	D	51.7	Low	49	Very low	108 Å²	108	97.3 Å²	97.3	58%	0.578	52%	0.516	S	S	*	.			trans	-39.8	142.8	-173.8	-99	-41.8	0	0	0	114.2	T24 E25 I26	D22-T24 PolarHBondContact O-N 2.96Å; D22-T24 VanDerWaalsContact O-N 3.07Å; D22-E25 HydrophobicContact CB-CB 4.44Å; D22-E25 HydrophobicContact CB-CG 4.16Å; D22-E25 WeakPolarHBondContact O-CB 3.43Å; D22-E25 PolarHBondContact O-N 3.43Å; D22-I26 PolarHBondContact O-N 2.91Å; D22-I26 VanDerWaalsContact O-N 3.09Å
23	T	48.2	Very low	50	Low	77 Å²	77	94.4 Å²	94.4	47%	0.472	50%	0.501	S	S	.	.	H	α-helix	trans	-52.9	-31.5	171.3	51.7	0	0	0	0	111.4	S27 M116	T23-S27 VanDerWaalsContact O-CB 3.25Å; T23-S27 WeakPolarHBondContact O-CB 3.11Å; T23-S27 PolarHBondContact O-N 2.89Å; T23-M116 HydrophobicContact CG2-CB 4.19Å; T23-M116 HydrophobicContact CG2-CG 4.4Å; T23-M116 HydrophobicContact CG2-SD 3.72Å
24	T	58.3	Low	51.1	Low	78 Å²	78	92.8 Å²	92.8	48%	0.479	48%	0.482	S	S	.	.	H	α-helix	trans	-65.2	-44.8	173.6	-43.6	0	0	0	0	112.5	D22 I26 S27 Q28	D22-T24 PolarHBondContact O-N 2.96Å; D22-T24 VanDerWaalsContact O-N 3.07Å; T24-I26 VanDerWaalsContact C-N 3.32Å; T24-I26 PolarHBondContact O-N 3.49Å; T24-S27 PolarHBondContact O-N 3.43Å; T24-Q28 WeakPolarHBondContact O-CB 3.44Å; T24-Q28 VanDerWaalsContact O-CG 3.22Å; T24-Q28 WeakPolarHBondContact O-CG 3.49Å; T24-Q28 PolarHBondContact O-N 2.91Å
25	E	58.5	Low	52.7	Low	108 Å²	108	88.2 Å²	88.2	51%	0.505	47%	0.47	S	S	.	.	H	α-helix	trans	-64.9	-38.5	177.3	-71.6	-173.9	174.8	0	0	111.5	S21 D22 S29	S21-E25 WeakPolarHBondContact CB-OE2 3.47Å; D22-E25 HydrophobicContact CB-CB 4.44Å; D22-E25 HydrophobicContact CB-CG 4.16Å; D22-E25 WeakPolarHBondContact O-CB 3.43Å; D22-E25 PolarHBondContact O-N 3.43Å; E25-S29 VanDerWaalsContact O-CB 3.23Å; E25-S29 WeakPolarHBondContact O-CB 3.38Å; E25-S29 PolarHBondContact O-N 3.26Å
26	I	51	Low	53.9	Low	9 Å²	9	80.9 Å²	80.9	5%	0.046	44%	0.444	C	S	.	.	H	α-helix	trans	-70.3	-42.1	178.4	-68.5	159	0	0	0	110.9	S21 D22 T24 S29 Y30 L109 R112 M116	S21-I26 VanDerWaalsContact O-CD1 3.25Å; S21-I26 WeakPolarHBondContact O-CD1 3.02Å; D22-I26 PolarHBondContact O-N 2.91Å; D22-I26 VanDerWaalsContact O-N 3.09Å; T24-I26 VanDerWaalsContact C-N 3.32Å; T24-I26 PolarHBondContact O-N 3.49Å; I26-S29 PolarHBondContact O-N 2.91Å; I26-Y30 WeakPolarHBondContact O-CB 3.37Å; I26-Y30 PolarHBondContact O-N 3.5Å; I26-L109 HydrophobicContact CG2-CD2 4.02Å; I26-R112 HydrophobicContact CD1-CG 4.17Å; I26-M116 HydrophobicContact CD1-CE 3.08Å; I26-M116 HydrophobicContact CD1-SD 3.34Å; I26-M116 WeakPolarHBondContact CD1-SD 3.49Å
27	S	58.7	Low	55.3	Low	53 Å²	53	76 Å²	76	37%	0.371	42%	0.424	S	S	.	.	H	α-helix	trans	-64.1	-44.5	175.1	178	0	0	0	0	111.9	T23 T24 S29 Y30 E31	T23-S27 VanDerWaalsContact O-CB 3.25Å; T23-S27 WeakPolarHBondContact O-CB 3.11Å; T23-S27 PolarHBondContact O-N 2.89Å; T24-S27 PolarHBondContact O-N 3.43Å; S27-S29 VanDerWaalsContact C-N 3.34Å; S27-S29 PolarHBondContact O-N 3.32Å; S27-Y30 WeakPolarHBondContact O-CB 3.41Å; S27-Y30 PolarHBondContact O-N 3.45Å; S27-E31 PolarHBondContact O-N 2.98Å
28	Q	66.2	Low	57.1	Low	126 Å²	126	76.5 Å²	76.5	59%	0.589	41%	0.41	S	S	*	.	H	α-helix	trans	-61.9	-42.2	173.9	-74.9	174.9	-3	0	0	111.7	T24 Y30 S32	T24-Q28 WeakPolarHBondContact O-CB 3.44Å; T24-Q28 VanDerWaalsContact O-CG 3.22Å; T24-Q28 WeakPolarHBondContact O-CG 3.49Å; T24-Q28 PolarHBondContact O-N 2.91Å; Q28-Y30 VanDerWaalsContact C-N 3.31Å; Q28-Y30 PolarHBondContact O-N 3.03Å; Q28-S32 WeakPolarHBondContact O-CB 3.32Å; Q28-S32 PolarHBondContact O-N 3.28Å
29	S	60.5	Low	58.8	Low	40 Å²	40	70.7 Å²	70.7	28%	0.28	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-36.9	175.5	-175.6	0	0	0	0	111.8	E25 I26 S27 V33	E25-S29 VanDerWaalsContact O-CB 3.23Å; E25-S29 WeakPolarHBondContact O-CB 3.38Å; E25-S29 PolarHBondContact O-N 3.26Å; I26-S29 PolarHBondContact O-N 2.91Å; S27-S29 VanDerWaalsContact C-N 3.34Å; S27-S29 PolarHBondContact O-N 3.32Å; S29-V33 WeakPolarHBondContact O-CB 3.41Å; S29-V33 VanDerWaalsContact O-CG2 3.24Å; S29-V33 WeakPolarHBondContact O-CG2 3.43Å; S29-V33 PolarHBondContact O-N 3.08Å
30	Y	59.9	Low	60	Low	40 Å²	40	66.7 Å²	66.7	16%	0.157	36%	0.357	C	S	.	.	H	α-helix	trans	-66.1	-50.4	177.4	170.8	-99.8	0	0	0	111.5	I26 S27 Q28 S32 V33 K34 K106 L109 E110	I26-Y30 WeakPolarHBondContact O-CB 3.37Å; I26-Y30 PolarHBondContact O-N 3.5Å; S27-Y30 WeakPolarHBondContact O-CB 3.41Å; S27-Y30 PolarHBondContact O-N 3.45Å; Q28-Y30 VanDerWaalsContact C-N 3.31Å; Q28-Y30 PolarHBondContact O-N 3.03Å; Y30-S32 VanDerWaalsContact C-N 3.3Å; Y30-S32 PolarHBondContact O-N 3.4Å; Y30-V33 PolarHBondContact O-N 3.05Å; Y30-K34 HydrophobicContact CE1-CD 4.18Å; Y30-K34 WeakPolarHBondContact O-CB 3.45Å; Y30-K34 PolarHBondContact O-N 3.5Å; Y30-K106 HydrophobicContact CE2-CG 4.07Å; Y30-L109 HydrophobicContact CD2-CB 4.32Å; Y30-E110 HydrophobicContact CD2-CG 4.13Å; Y30-E110 HydrophobicContact CE2-CG 3.56Å; Y30-E110 PolarHBondContact OH-OE1 3.5Å
31	E	71.2	Confident	61.3	Low	92 Å²	92	70.1 Å²	70.1	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-39.3	177.7	-70.1	-57.6	147.6	0	0	111.4	S27 V33 K34 E35	S27-E31 PolarHBondContact O-N 2.98Å; E31-V33 PolarHBondContact O-N 2.74Å; E31-K34 PolarHBondContact O-N 3.4Å; E31-K34 IonicContact OE1-NZ 3.07Å; E31-K34 IonicContact OE2-NZ 2.83Å; E31-K34 PolarHBondContact OE2-NZ 3.25Å; E31-E35 WeakPolarHBondContact O-CB 3.35Å; E31-E35 PolarHBondContact O-N 2.91Å
32	S	69.9	Low	62.2	Low	50 Å²	50	73.9 Å²	73.9	35%	0.35	37%	0.371	S	S	.	.	H	α-helix	trans	-62.6	-42.7	175.1	-174.7	0	0	0	0	112.9	Q28 Y30 E35 Q36	Q28-S32 WeakPolarHBondContact O-CB 3.32Å; Q28-S32 PolarHBondContact O-N 3.28Å; Y30-S32 VanDerWaalsContact C-N 3.3Å; Y30-S32 PolarHBondContact O-N 3.4Å; S32-E35 PolarHBondContact O-N 3.43Å; S32-Q36 VanDerWaalsContact O-CG 3.26Å; S32-Q36 WeakPolarHBondContact O-CG 3.44Å; S32-Q36 PolarHBondContact O-N 3.14Å; S32-Q36 PolarHBondContact OG-NE2 2.88Å
33	V	60.3	Low	62.7	Low	11 Å²	11	69.3 Å²	69.3	7%	0.067	35%	0.347	C	S	.	.	H	α-helix	trans	-67.2	-38.4	177.7	167.7	0	0	0	0	111.4	S29 Y30 E31 Q36 L37 V102 R105 K106 L109	S29-V33 WeakPolarHBondContact O-CB 3.41Å; S29-V33 VanDerWaalsContact O-CG2 3.24Å; S29-V33 WeakPolarHBondContact O-CG2 3.43Å; S29-V33 PolarHBondContact O-N 3.08Å; Y30-V33 PolarHBondContact O-N 3.05Å; E31-V33 PolarHBondContact O-N 2.74Å; V33-Q36 WeakPolarHBondContact O-CB 3.39Å; V33-Q36 PolarHBondContact O-N 3.24Å; V33-L37 PolarHBondContact O-N 2.93Å; V33-V102 HydrophobicContact CG1-CG1 3.97Å; V33-R105 HydrophobicContact CG2-CG 4.28Å; V33-K106 HydrophobicContact CG1-CB 4.03Å; V33-L109 HydrophobicContact CB-CD1 4.42Å; V33-L109 HydrophobicContact CG2-CD1 4.02Å
34	K	66.8	Low	63	Low	78 Å²	78	72.6 Å²	72.6	34%	0.339	35%	0.352	S	S	.	.	H	α-helix	trans	-65	-43.9	176.3	-179	-177.1	170.1	-161.5	0	111.8	Y30 E31 Q36 L37 N38	Y30-K34 HydrophobicContact CE1-CD 4.18Å; Y30-K34 WeakPolarHBondContact O-CB 3.45Å; Y30-K34 PolarHBondContact O-N 3.5Å; E31-K34 PolarHBondContact O-N 3.4Å; E31-K34 IonicContact OE1-NZ 3.07Å; E31-K34 IonicContact OE2-NZ 2.83Å; E31-K34 PolarHBondContact OE2-NZ 3.25Å; K34-Q36 VanDerWaalsContact C-N 3.34Å; K34-L37 PolarHBondContact O-N 2.9Å; K34-N38 PolarHBondContact O-N 3.46Å; K34-N38 VanDerWaalsContact O-N 3.08Å
35	E	72.5	Confident	63.2	Low	119 Å²	119	74 Å²	74	56%	0.556	36%	0.361	S	S	*	.	H	α-helix	trans	-61.1	-43.6	173.2	-171.8	-176.9	179.9	0	0	111.2	E31 S32 L37 N38 N39	E31-E35 WeakPolarHBondContact O-CB 3.35Å; E31-E35 PolarHBondContact O-N 2.91Å; S32-E35 PolarHBondContact O-N 3.43Å; E35-L37 PolarHBondContact O-N 3.2Å; E35-N38 PolarHBondContact O-N 3.43Å; E35-N39 VanDerWaalsContact O-CG 3.27Å; E35-N39 PolarHBondContact O-N 3.34Å; E35-N39 PolarHBondContact O-ND2 2.86Å
36	Q	64.3	Low	63.6	Low	56 Å²	56	72.9 Å²	72.9	26%	0.262	36%	0.358	S	S	.	.	H	α-helix	trans	-56.3	-48.4	174	-74.1	171.7	29	0	0	111.2	S32 V33 K34 N38 N39 Y40 Y52 L56	S32-Q36 VanDerWaalsContact O-CG 3.26Å; S32-Q36 WeakPolarHBondContact O-CG 3.44Å; S32-Q36 PolarHBondContact O-N 3.14Å; S32-Q36 PolarHBondContact OG-NE2 2.88Å; V33-Q36 WeakPolarHBondContact O-CB 3.39Å; V33-Q36 PolarHBondContact O-N 3.24Å; K34-Q36 VanDerWaalsContact C-N 3.34Å; Q36-N38 VanDerWaalsContact C-N 3.32Å; Q36-N38 PolarHBondContact O-N 3.47Å; Q36-N39 PolarHBondContact O-N 3.16Å; Q36-Y40 PolarHBondContact O-N 3.34Å; Q36-Y52 VanDerWaalsContact C-OH 3.31Å; Q36-Y52 PolarHBondContact O-OH 2.93Å; Q36-L56 HydrophobicContact CB-CD2 4.48Å; Q36-L56 HydrophobicContact CG-CD2 4.02Å
37	L	63.9	Low	64	Low	35 Å²	35	78.7 Å²	78.7	18%	0.183	39%	0.394	C	S	.	.	H	α-helix	trans	-60.1	-39.7	178.4	-78	167.4	0	0	0	113.1	V33 K34 E35 Y40 R41 V102 Q103 K106	V33-L37 PolarHBondContact O-N 2.93Å; K34-L37 PolarHBondContact O-N 2.9Å; E35-L37 PolarHBondContact O-N 3.2Å; L37-Y40 PolarHBondContact O-N 3.03Å; L37-R41 WeakPolarHBondContact O-CB 3.29Å; L37-R41 PolarHBondContact O-N 3.34Å; L37-V102 HydrophobicContact CD1-CG1 4.07Å; L37-V102 HydrophobicContact CD2-CB 4.06Å; L37-V102 HydrophobicContact CD2-CG1 3.51Å; L37-V102 HydrophobicContact CG-CG1 3.52Å; L37-Q103 HydrophobicContact CD2-CG 4.48Å; L37-K106 HydrophobicContact CD1-CB 4.44Å; L37-K106 HydrophobicContact CD1-CD 3.78Å
38	N	68.8	Low	64.1	Low	81 Å²	81	81.5 Å²	81.5	43%	0.433	40%	0.4	S	S	.	.	H	α-helix	trans	-64.8	-47.2	176.3	-74.1	-17	0	0	0	111.4	K34 E35 Q36 Y40 R41 E42	K34-N38 PolarHBondContact O-N 3.46Å; K34-N38 VanDerWaalsContact O-N 3.08Å; E35-N38 PolarHBondContact O-N 3.43Å; Q36-N38 VanDerWaalsContact C-N 3.32Å; Q36-N38 PolarHBondContact O-N 3.47Å; N38-Y40 VanDerWaalsContact C-N 3.29Å; N38-Y40 PolarHBondContact O-N 2.96Å; N38-R41 WeakPolarHBondContact O-CB 3.48Å; N38-R41 PolarHBondContact O-N 3.02Å; N38-R41 VanDerWaalsContact O-N 3.09Å; N38-E42 PolarHBondContact O-N 3.49Å
39	N	66.8	Low	63.7	Low	61 Å²	61	77 Å²	77	33%	0.326	38%	0.377	S	S	.	.	H	α-helix	trans	-62.3	-36.6	177.9	-66.6	-16.2	0	0	0	112	E35 Q36 A43 Y52	E35-N39 VanDerWaalsContact O-CG 3.27Å; E35-N39 PolarHBondContact O-N 3.34Å; E35-N39 PolarHBondContact O-ND2 2.86Å; Q36-N39 PolarHBondContact O-N 3.16Å; N39-A43 VanDerWaalsContact O-CB 3.25Å; N39-A43 WeakPolarHBondContact O-CB 3.44Å; N39-A43 PolarHBondContact O-N 3.32Å; N39-Y52 HydrophobicContact CB-CD2 3.91Å; N39-Y52 HydrophobicContact CB-CE2 3.27Å
40	Y	59.9	Low	63.3	Low	25 Å²	25	81.9 Å²	81.9	10%	0.098	40%	0.396	C	S	.	.	H	α-helix	trans	-60.4	-48.4	172.9	178.1	-81.3	0	0	0	110.6	Q36 L37 N38 A43 Y44 Y49 Y52 F98 V99	Q36-Y40 PolarHBondContact O-N 3.34Å; L37-Y40 PolarHBondContact O-N 3.03Å; N38-Y40 VanDerWaalsContact C-N 3.29Å; N38-Y40 PolarHBondContact O-N 2.96Å; Y40-A43 PolarHBondContact O-N 3.28Å; Y40-Y44 HydrophobicContact CE1-CD2 4.46Å; Y40-Y44 VanDerWaalsContact O-CB 3.32Å; Y40-Y44 WeakPolarHBondContact O-CB 3.49Å; Y40-Y44 PolarHBondContact O-N 3.37Å; Y40-Y49 HydrophobicContact CD2-CE2 4.08Å; Y40-Y49 HydrophobicContact CE1-CE2 4.4Å; Y40-Y49 HydrophobicContact CE2-CD2 4.46Å; Y40-Y49 AromaticContact CE2-CE2 3.36Å; Y40-Y49 HydrophobicContact CE2-CE2 3.36Å; Y40-Y49 AromaticContact CE2-CZ 3.91Å; Y40-Y49 WeakPolarHBondContact CE2-OH 3.5Å; Y40-Y49 AromaticContact CZ-CE2 3.5Å; Y40-Y49 VanDerWaalsContact CZ-CE2 3.5Å; Y40-Y49 WeakPolarHBondContact OH-CE2 3.46Å; Y40-Y49 PolarHBondContact OH-OH 3.46Å; Y40-Y52 VanDerWaalsContact CA-CZ 3.49Å; Y40-Y52 AromaticContact CD2-CD1 3.99Å; Y40-Y52 HydrophobicContact CD2-CD1 3.99Å; Y40-Y52 AromaticContact CD2-CE1 3.56Å; Y40-Y52 HydrophobicContact CD2-CE1 3.56Å; Y40-Y52 HydrophobicContact CG-CD1 4.41Å; Y40-Y52 AromaticContact CG-CE1 3.9Å; Y40-Y52 HydrophobicContact CG-CE1 3.9Å; Y40-Y52 VanDerWaalsContact N-CZ 3.29Å; Y40-F98 AromaticContact CD2-CD1 3.96Å; Y40-F98 HydrophobicContact CD2-CD1 3.96Å; Y40-F98 AromaticContact CD2-CE1 3.74Å; Y40-F98 HydrophobicContact CD2-CE1 3.74Å; Y40-F98 AromaticContact CE2-CD1 3.74Å; Y40-F98 HydrophobicContact CE2-CD1 3.74Å; Y40-F98 HydrophobicContact CE2-CE1 4.01Å; Y40-V99 HydrophobicContact CD1-CG2 4.1Å; Y40-V99 HydrophobicContact CD2-CG2 4.4Å; Y40-V99 HydrophobicContact CE1-CG2 3.42Å; Y40-V99 VanDerWaalsContact CE1-CG2 3.42Å; Y40-V99 HydrophobicContact CE2-CG2 3.73Å; Y40-V99 WeakPolarHBondContact OH-CG2 3.33Å
41	R	63.6	Low	63.3	Low	181 Å²	181	85 Å²	85	68%	0.683	41%	0.411	S	S	*	.	H	α-helix	trans	-62.4	-46.1	-178.5	-173.7	-178.8	-177.4	-173.2	0.6	111.1	L37 N38 Y44 V45	L37-R41 WeakPolarHBondContact O-CB 3.29Å; L37-R41 PolarHBondContact O-N 3.34Å; N38-R41 WeakPolarHBondContact O-CB 3.48Å; N38-R41 PolarHBondContact O-N 3.02Å; N38-R41 VanDerWaalsContact O-N 3.09Å; R41-Y44 PolarHBondContact O-N 2.84Å; R41-V45 VanDerWaalsContact O-CG2 3.3Å; R41-V45 WeakPolarHBondContact O-CG2 3.44Å; R41-V45 PolarHBondContact O-N 3.28Å; R41-V45 VanDerWaalsContact O-N 3.07Å
42	E	66.1	Low	62.8	Low	124 Å²	124	81.7 Å²	81.7	58%	0.579	40%	0.395	S	S	*	.	H	α-helix	trans	-60.9	-48.5	175.7	-72.5	-178.9	-176.5	0	0	111.1	N38 Y44 V45 D46	N38-E42 PolarHBondContact O-N 3.49Å; E42-Y44 VanDerWaalsContact C-N 3.31Å; E42-Y44 PolarHBondContact O-N 3.19Å; E42-V45 PolarHBondContact O-N 3.02Å; E42-V45 VanDerWaalsContact O-N 3.17Å; E42-D46 VanDerWaalsContact O-CB 3.31Å; E42-D46 WeakPolarHBondContact O-CB 3.42Å; E42-D46 PolarHBondContact O-N 3.11Å
43	A	61.1	Low	62.2	Low	11 Å²	11	80.4 Å²	80.4	9%	0.091	38%	0.384	C	S	.	.	H	α-helix	trans	-64.5	-34.3	179.9	0	0	0	0	0	113.7	N39 Y40 T47 K48 Y49 Y52	N39-A43 VanDerWaalsContact O-CB 3.25Å; N39-A43 WeakPolarHBondContact O-CB 3.44Å; N39-A43 PolarHBondContact O-N 3.32Å; Y40-A43 PolarHBondContact O-N 3.28Å; A43-T47 PolarHBondContact O-N 3.42Å; A43-K48 CarbonylContact O-C 3.51Å; A43-K48 PolarHBondContact O-N 3.15Å; A43-Y49 PolarHBondContact O-N 3.43Å; A43-Y52 HydrophobicContact CB-CD1 4.39Å; A43-Y52 HydrophobicContact CB-CD2 4.3Å; A43-Y52 HydrophobicContact CB-CG 3.74Å
44	Y	55.3	Low	62	Low	146 Å²	146	84.4 Å²	84.4	57%	0.573	40%	0.398	S	S	*	.	H	α-helix	trans	-67	-40.4	174.8	-169.4	-91	0	0	0	111.3	Y40 R41 E42 Y49	Y40-Y44 HydrophobicContact CE1-CD2 4.46Å; Y40-Y44 VanDerWaalsContact O-CB 3.32Å; Y40-Y44 WeakPolarHBondContact O-CB 3.49Å; Y40-Y44 PolarHBondContact O-N 3.37Å; R41-Y44 PolarHBondContact O-N 2.84Å; E42-Y44 VanDerWaalsContact C-N 3.31Å; E42-Y44 PolarHBondContact O-N 3.19Å; Y44-Y49 AromaticContact CD2-CD2 3.84Å; Y44-Y49 HydrophobicContact CD2-CD2 3.84Å; Y44-Y49 HydrophobicContact CD2-CE2 4.05Å; Y44-Y49 HydrophobicContact CD2-CG 4.46Å
45	V	62.5	Low	61.7	Low	108 Å²	108	85.4 Å²	85.4	66%	0.655	41%	0.407	S	S	*	.	H	α-helix	trans	-69.1	-42.5	175.3	172.5	0	0	0	0	111.5	R41 E42 T47	R41-V45 VanDerWaalsContact O-CG2 3.3Å; R41-V45 WeakPolarHBondContact O-CG2 3.44Å; R41-V45 PolarHBondContact O-N 3.28Å; R41-V45 VanDerWaalsContact O-N 3.07Å; E42-V45 PolarHBondContact O-N 3.02Å; E42-V45 VanDerWaalsContact O-N 3.17Å; V45-T47 PolarHBondContact O-N 3.04Å
46	D	66.6	Low	61.1	Low	85 Å²	85	80.9 Å²	80.9	46%	0.455	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	1.5	-176.8	-97.4	21.7	0	0	0	114.3	E42 K48	E42-D46 VanDerWaalsContact O-CB 3.31Å; E42-D46 WeakPolarHBondContact O-CB 3.42Å; E42-D46 PolarHBondContact O-N 3.11Å; D46-K48 HydrophobicContact CB-CB 4.32Å; D46-K48 HydrophobicContact CB-CD 4.09Å; D46-K48 HydrophobicContact CB-CG 4.13Å; D46-K48 PolarHBondContact O-N 3.37Å; D46-K48 IonicContact OD2-NZ 2.62Å; D46-K48 PolarHBondContact OD2-NZ 3.48Å
47	T	59.8	Low	60.6	Low	130 Å²	130	79.3 Å²	79.3	80%	0.798	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	7.6	-169.1	67.1	0	0	0	0	114.8	A43 V45 Y49	A43-T47 PolarHBondContact O-N 3.42Å; V45-T47 PolarHBondContact O-N 3.04Å; T47-Y49 PolarHBondContact O-N 3.23Å
48	K	59.5	Low	59.9	Low	113 Å²	113	83.9 Å²	83.9	49%	0.491	40%	0.396	S	S	.	.			trans	-82.2	15.6	174.9	-67.1	173.5	-169.7	149.3	0	112.9	A43 D46 Q50 H51 Y52	A43-K48 CarbonylContact O-C 3.51Å; A43-K48 PolarHBondContact O-N 3.15Å; D46-K48 HydrophobicContact CB-CB 4.32Å; D46-K48 HydrophobicContact CB-CD 4.09Å; D46-K48 HydrophobicContact CB-CG 4.13Å; D46-K48 PolarHBondContact O-N 3.37Å; D46-K48 IonicContact OD2-NZ 2.62Å; D46-K48 PolarHBondContact OD2-NZ 3.48Å; K48-Q50 PolarHBondContact O-N 3.32Å; K48-Q50 VanDerWaalsContact O-N 3.11Å; K48-H51 WeakPolarHBondContact O-CB 3.48Å; K48-H51 PolarHBondContact O-N 3.02Å; K48-Y52 PolarHBondContact O-N 3.4Å; K48-Y52 VanDerWaalsContact O-N 3.15Å
49	Y	57.8	Low	59	Low	31 Å²	31	83.7 Å²	83.7	12%	0.122	40%	0.397	C	S	.	.	H	α-helix	trans	-47.3	-44.1	-176.6	-173.4	-111.7	0	0	0	113.7	Y40 A43 Y44 T47 H51 Y52 L53 D95	Y40-Y49 HydrophobicContact CD2-CE2 4.08Å; Y40-Y49 HydrophobicContact CE1-CE2 4.4Å; Y40-Y49 HydrophobicContact CE2-CD2 4.46Å; Y40-Y49 AromaticContact CE2-CE2 3.36Å; Y40-Y49 HydrophobicContact CE2-CE2 3.36Å; Y40-Y49 AromaticContact CE2-CZ 3.91Å; Y40-Y49 WeakPolarHBondContact CE2-OH 3.5Å; Y40-Y49 AromaticContact CZ-CE2 3.5Å; Y40-Y49 VanDerWaalsContact CZ-CE2 3.5Å; Y40-Y49 WeakPolarHBondContact OH-CE2 3.46Å; Y40-Y49 PolarHBondContact OH-OH 3.46Å; A43-Y49 PolarHBondContact O-N 3.43Å; Y44-Y49 AromaticContact CD2-CD2 3.84Å; Y44-Y49 HydrophobicContact CD2-CD2 3.84Å; Y44-Y49 HydrophobicContact CD2-CE2 4.05Å; Y44-Y49 HydrophobicContact CD2-CG 4.46Å; T47-Y49 PolarHBondContact O-N 3.23Å; Y49-H51 VanDerWaalsContact C-N 3.33Å; Y49-H51 PolarHBondContact O-N 2.99Å; Y49-Y52 PolarHBondContact O-N 3.19Å; Y49-L53 HydrophobicContact CD1-CD1 3.85Å; Y49-L53 HydrophobicContact CD1-CG 4.39Å; Y49-L53 HydrophobicContact CE1-CD1 3.22Å; Y49-L53 HydrophobicContact CE1-CG 3.91Å; Y49-L53 HydrophobicContact CE2-CD1 4.46Å; Y49-L53 HydrophobicContact CE2-CG 4.3Å; Y49-L53 PolarHBondContact O-N 3.06Å; Y49-D95 VanDerWaalsContact CE1-OD2 3.31Å; Y49-D95 WeakPolarHBondContact CE1-OD2 3.49Å; Y49-D95 VanDerWaalsContact CZ-CG 3.46Å; Y49-D95 WeakPolarHBondContact OH-CB 3.38Å; Y49-D95 PolarHBondContact OH-OD1 3.47Å; Y49-D95 PolarHBondContact OH-OD2 3.39Å
50	Q	53.5	Low	58.1	Low	142 Å²	142	87 Å²	87	66%	0.664	41%	0.405	S	S	*	.	H	α-helix	trans	-63.9	-36.5	179.4	-65.1	-177.6	-13	0	0	112.9	K48 R54	K48-Q50 PolarHBondContact O-N 3.32Å; K48-Q50 VanDerWaalsContact O-N 3.11Å; Q50-R54 WeakPolarHBondContact O-CB 3.31Å; Q50-R54 PolarHBondContact O-N 3.4Å; Q50-R54 VanDerWaalsContact O-N 3.14Å
51	H	59.8	Low	57.4	Low	105 Å²	105	86.6 Å²	86.6	49%	0.486	41%	0.405	S	S	.	.	H	α-helix	trans	-69.9	-40.7	176.1	-72.5	-81.2	0	0	0	111.3	K48 Y49 R54 D55	K48-H51 WeakPolarHBondContact O-CB 3.48Å; K48-H51 PolarHBondContact O-N 3.02Å; Y49-H51 VanDerWaalsContact C-N 3.33Å; Y49-H51 PolarHBondContact O-N 2.99Å; H51-R54 VanDerWaalsContact O-CB 3.23Å; H51-R54 WeakPolarHBondContact O-CB 3.36Å; H51-R54 PolarHBondContact O-N 2.79Å; H51-D55 PolarHBondContact O-N 3.16Å; H51-D55 VanDerWaalsContact O-N 3.09Å
52	Y	60.2	Low	56.5	Low	24 Å²	24	85 Å²	85	9%	0.094	40%	0.403	C	S	.	.	H	α-helix	trans	-65.1	-45	178.4	177	-100.4	0	0	0	112.7	Q36 N39 Y40 A43 K48 Y49 R54 D55 L56	Q36-Y52 VanDerWaalsContact C-OH 3.31Å; Q36-Y52 PolarHBondContact O-OH 2.93Å; N39-Y52 HydrophobicContact CB-CD2 3.91Å; N39-Y52 HydrophobicContact CB-CE2 3.27Å; Y40-Y52 VanDerWaalsContact CA-CZ 3.49Å; Y40-Y52 AromaticContact CD2-CD1 3.99Å; Y40-Y52 HydrophobicContact CD2-CD1 3.99Å; Y40-Y52 AromaticContact CD2-CE1 3.56Å; Y40-Y52 HydrophobicContact CD2-CE1 3.56Å; Y40-Y52 HydrophobicContact CG-CD1 4.41Å; Y40-Y52 AromaticContact CG-CE1 3.9Å; Y40-Y52 HydrophobicContact CG-CE1 3.9Å; Y40-Y52 VanDerWaalsContact N-CZ 3.29Å; A43-Y52 HydrophobicContact CB-CD1 4.39Å; A43-Y52 HydrophobicContact CB-CD2 4.3Å; A43-Y52 HydrophobicContact CB-CG 3.74Å; K48-Y52 PolarHBondContact O-N 3.4Å; K48-Y52 VanDerWaalsContact O-N 3.15Å; Y49-Y52 PolarHBondContact O-N 3.19Å; Y52-R54 PolarHBondContact O-N 2.86Å; Y52-D55 PolarHBondContact O-N 3.46Å; Y52-L56 HydrophobicContact CD1-CD1 3.79Å; Y52-L56 HydrophobicContact CD1-CG 4.32Å; Y52-L56 HydrophobicContact CE1-CD1 3Å; Y52-L56 HydrophobicContact CE1-CG 3.65Å; Y52-L56 HydrophobicContact CE2-CD1 4.24Å; Y52-L56 HydrophobicContact CE2-CG 3.99Å; Y52-L56 VanDerWaalsContact CZ-CG 3.48Å; Y52-L56 WeakPolarHBondContact O-CB 3.4Å; Y52-L56 PolarHBondContact O-N 2.97Å; Y52-L56 WeakPolarHBondContact OH-CD1 3.33Å
53	L	56.5	Low	55.5	Low	23 Å²	23	84.3 Å²	84.3	12%	0.12	41%	0.407	C	S	.	.	H	α-helix	trans	-59.6	-38.1	173.5	-74.5	-178.4	0	0	0	112.1	Y49 D55 L57 I88	Y49-L53 HydrophobicContact CD1-CD1 3.85Å; Y49-L53 HydrophobicContact CD1-CG 4.39Å; Y49-L53 HydrophobicContact CE1-CD1 3.22Å; Y49-L53 HydrophobicContact CE1-CG 3.91Å; Y49-L53 HydrophobicContact CE2-CD1 4.46Å; Y49-L53 HydrophobicContact CE2-CG 4.3Å; Y49-L53 PolarHBondContact O-N 3.06Å; L53-D55 PolarHBondContact O-N 2.85Å; L53-L57 VanDerWaalsContact O-CB 3.3Å; L53-L57 WeakPolarHBondContact O-CB 3.18Å; L53-L57 WeakPolarHBondContact O-CD1 3.34Å; L53-L57 VanDerWaalsContact O-CG 3.25Å; L53-L57 WeakPolarHBondContact O-CG 3.3Å; L53-L57 PolarHBondContact O-N 3.41Å; L53-I88 HydrophobicContact CD1-CD1 4.1Å
54	R	55.7	Low	54.7	Low	95 Å²	95	87 Å²	87	36%	0.358	42%	0.42	S	S	.	.	H	α-helix	trans	-57.6	-48.5	176.2	-171.6	-165.8	174.8	178.6	-6.1	111.3	Q50 H51 Y52 Y58 Y80 F81	Q50-R54 WeakPolarHBondContact O-CB 3.31Å; Q50-R54 PolarHBondContact O-N 3.4Å; Q50-R54 VanDerWaalsContact O-N 3.14Å; H51-R54 VanDerWaalsContact O-CB 3.23Å; H51-R54 WeakPolarHBondContact O-CB 3.36Å; H51-R54 PolarHBondContact O-N 2.79Å; Y52-R54 PolarHBondContact O-N 2.86Å; R54-Y58 PolarHBondContact O-N 3.4Å; R54-Y58 VanDerWaalsContact O-N 3.12Å; R54-Y80 HydrophobicContact CB-CE1 4.24Å; R54-Y80 HydrophobicContact CG-CD1 3.45Å; R54-Y80 VanDerWaalsContact CG-CD1 3.45Å; R54-Y80 HydrophobicContact CG-CE1 3.2Å; R54-Y80 WeakPolarHBondContact O-CE1 3.4Å; R54-Y80 PolarHBondContact O-OH 3.35Å; R54-F81 HydrophobicContact CG-CE1 4.4Å; R54-F81 HydrophobicContact CG-CZ 4.49Å
55	D	60.9	Low	54	Low	99 Å²	99	91.2 Å²	91.2	53%	0.529	44%	0.435	S	S	.	.	H	α-helix	trans	-73.5	-40.9	-175.9	-67.4	-18.4	0	0	0	111.9	H51 Y52 L53 Y58 V59	H51-D55 PolarHBondContact O-N 3.16Å; H51-D55 VanDerWaalsContact O-N 3.09Å; Y52-D55 PolarHBondContact O-N 3.46Å; L53-D55 PolarHBondContact O-N 2.85Å; D55-Y58 VanDerWaalsContact O-CB 3.31Å; D55-Y58 WeakPolarHBondContact O-CB 3.25Å; D55-Y58 PolarHBondContact O-N 3.33Å; D55-V59 WeakPolarHBondContact O-CG2 3.16Å; D55-V59 PolarHBondContact O-N 3.47Å
56	L	61.1	Low	53.2	Low	23 Å²	23	90.6 Å²	90.6	12%	0.12	44%	0.435	C	S	.	.	H	α-helix	trans	-60.2	-47.2	174.2	-90.4	-177.7	0	0	0	113	Q36 Y52 Y58 V59 R60 F98	Q36-L56 HydrophobicContact CB-CD2 4.48Å; Q36-L56 HydrophobicContact CG-CD2 4.02Å; Y52-L56 HydrophobicContact CD1-CD1 3.79Å; Y52-L56 HydrophobicContact CD1-CG 4.32Å; Y52-L56 HydrophobicContact CE1-CD1 3Å; Y52-L56 HydrophobicContact CE1-CG 3.65Å; Y52-L56 HydrophobicContact CE2-CD1 4.24Å; Y52-L56 HydrophobicContact CE2-CG 3.99Å; Y52-L56 VanDerWaalsContact CZ-CG 3.48Å; Y52-L56 WeakPolarHBondContact O-CB 3.4Å; Y52-L56 PolarHBondContact O-N 2.97Å; Y52-L56 WeakPolarHBondContact OH-CD1 3.33Å; L56-Y58 PolarHBondContact O-N 3.15Å; L56-V59 PolarHBondContact O-N 2.66Å; L56-R60 PolarHBondContact O-N 3.1Å; L56-F98 HydrophobicContact CD1-CE1 3.81Å; L56-F98 HydrophobicContact CD1-CE2 4.16Å; L56-F98 HydrophobicContact CD1-CZ 3.31Å
57	L	53.4	Low	52.2	Low	23 Å²	23	91.1 Å²	91.1	12%	0.12	43%	0.434	C	S	.	.	H	α-helix	trans	-58.9	-44.9	176.5	-76.7	170.6	0	0	0	108.7	L53 V59 R60 I61 A84 I88	L53-L57 VanDerWaalsContact O-CB 3.3Å; L53-L57 WeakPolarHBondContact O-CB 3.18Å; L53-L57 WeakPolarHBondContact O-CD1 3.34Å; L53-L57 VanDerWaalsContact O-CG 3.25Å; L53-L57 WeakPolarHBondContact O-CG 3.3Å; L53-L57 PolarHBondContact O-N 3.41Å; L57-V59 VanDerWaalsContact C-N 3.26Å; L57-V59 PolarHBondContact O-N 2.83Å; L57-R60 PolarHBondContact O-N 3.12Å; L57-R60 VanDerWaalsContact O-N 3.13Å; L57-I61 VanDerWaalsContact C-CD1 3.4Å; L57-I61 HydrophobicContact CB-CD1 4.06Å; L57-I61 WeakPolarHBondContact O-CB 3.35Å; L57-I61 WeakPolarHBondContact O-CD1 3.09Å; L57-I61 WeakPolarHBondContact O-CG1 3.25Å; L57-I61 PolarHBondContact O-N 3.22Å; L57-A84 HydrophobicContact CD1-CB 3.63Å; L57-I88 HydrophobicContact CD1-CD1 3.74Å; L57-I88 HydrophobicContact CD1-CG1 3.88Å
58	Y	49.6	Very low	51.3	Low	132 Å²	132	87.6 Å²	87.6	52%	0.518	41%	0.409	S	S	.	.	H	α-helix	trans	-54.8	-44.8	179.6	-169.9	-107.7	0	0	0	111.9	R54 D55 L56 I61 K62 Y80	R54-Y58 PolarHBondContact O-N 3.4Å; R54-Y58 VanDerWaalsContact O-N 3.12Å; D55-Y58 VanDerWaalsContact O-CB 3.31Å; D55-Y58 WeakPolarHBondContact O-CB 3.25Å; D55-Y58 PolarHBondContact O-N 3.33Å; L56-Y58 PolarHBondContact O-N 3.15Å; Y58-I61 PolarHBondContact O-N 3.46Å; Y58-K62 WeakPolarHBondContact O-CB 2.92Å; Y58-K62 PolarHBondContact O-N 3.06Å; Y58-Y80 WeakPolarHBondContact CA-OH 3.31Å; Y58-Y80 WeakPolarHBondContact CB-OH 3.34Å; Y58-Y80 AromaticContact CD2-CE2 3.76Å; Y58-Y80 HydrophobicContact CD2-CE2 3.76Å; Y58-Y80 AromaticContact CD2-CZ 4Å; Y58-Y80 PolarHBondContact N-OH 3.15Å
59	V	49.5	Very low	50.9	Low	76 Å²	76	86 Å²	86	46%	0.461	41%	0.406	S	S	.	.	H	α-helix	trans	-68.1	-44.8	179.2	175	0	0	0	0	112	D55 L56 L57 I61 K62 T63	D55-V59 WeakPolarHBondContact O-CG2 3.16Å; D55-V59 PolarHBondContact O-N 3.47Å; L56-V59 PolarHBondContact O-N 2.66Å; L57-V59 VanDerWaalsContact C-N 3.26Å; L57-V59 PolarHBondContact O-N 2.83Å; V59-I61 PolarHBondContact O-N 2.85Å; V59-K62 PolarHBondContact O-N 3.32Å; V59-T63 WeakPolarHBondContact O-CG2 3.49Å; V59-T63 PolarHBondContact O-N 2.63Å; V59-T63 PolarHBondContact O-OG1 3.34Å
60	R	48.5	Very low	50.7	Low	131 Å²	131	92.8 Å²	92.8	49%	0.494	44%	0.436	S	S	.	.	H	α-helix	trans	-62.3	-33.8	177.6	-173	177	-99	-168.4	-4.1	111.9	L56 L57 T63 N64	L56-R60 PolarHBondContact O-N 3.1Å; L57-R60 PolarHBondContact O-N 3.12Å; L57-R60 VanDerWaalsContact O-N 3.13Å; R60-T63 WeakPolarHBondContact CA-OG1 3.25Å; R60-T63 PolarHBondContact O-OG1 3.32Å; R60-N64 WeakPolarHBondContact O-CB 3.34Å; R60-N64 PolarHBondContact O-N 2.99Å; R60-N64 VanDerWaalsContact O-N 3.15Å
61	I	43.5	Very low	50.4	Low	17 Å²	17	91.2 Å²	91.2	9%	0.087	43%	0.429	C	S	.	.	H	α-helix	trans	-80.6	-37	-179	-56.8	155.8	0	0	0	110.6	L57 Y58 V59 T63 N64 F67 I68 W83	L57-I61 VanDerWaalsContact C-CD1 3.4Å; L57-I61 HydrophobicContact CB-CD1 4.06Å; L57-I61 WeakPolarHBondContact O-CB 3.35Å; L57-I61 WeakPolarHBondContact O-CD1 3.09Å; L57-I61 WeakPolarHBondContact O-CG1 3.25Å; L57-I61 PolarHBondContact O-N 3.22Å; Y58-I61 PolarHBondContact O-N 3.46Å; V59-I61 PolarHBondContact O-N 2.85Å; I61-T63 VanDerWaalsContact C-N 3.34Å; I61-T63 PolarHBondContact O-N 3.11Å; I61-N64 CarbonylContact O-C 3.57Å; I61-N64 PolarHBondContact O-N 2.95Å; I61-N64 VanDerWaalsContact O-O 3.07Å; I61-F67 HydrophobicContact CG2-CB 4.44Å; I61-I68 HydrophobicContact CB-CD1 4.14Å; I61-I68 HydrophobicContact CB-CG1 4.24Å; I61-I68 HydrophobicContact CG2-CB 4.43Å; I61-I68 HydrophobicContact CG2-CD1 3.26Å; I61-I68 HydrophobicContact CG2-CG1 2.99Å; I61-W83 HydrophobicContact CD1-CE3 4.22Å; I61-W83 HydrophobicContact CD1-CH2 3.16Å; I61-W83 HydrophobicContact CD1-CZ2 4.37Å; I61-W83 HydrophobicContact CD1-CZ3 3.08Å; I61-W83 HydrophobicContact CG1-CH2 3.65Å; I61-W83 HydrophobicContact CG1-CZ3 4.07Å; I61-W83 HydrophobicContact CG2-CH2 4.25Å
62	K	44.6	Very low	49.8	Very low	147 Å²	147	89 Å²	89	64%	0.639	43%	0.425	S	S	*	.	H	α-helix	trans	-65	-36.8	173	-173.7	-179.2	178.7	-174.7	0	112.5	Y58 V59	Y58-K62 WeakPolarHBondContact O-CB 2.92Å; Y58-K62 PolarHBondContact O-N 3.06Å; V59-K62 PolarHBondContact O-N 3.32Å
63	T	45.2	Very low	49.2	Very low	109 Å²	109	92.3 Å²	92.3	67%	0.669	44%	0.444	S	S	*	.	H	α-helix	trans	-74	-32.8	178.1	43	0	0	0	0	111.9	V59 R60 I61 R65	V59-T63 WeakPolarHBondContact O-CG2 3.49Å; V59-T63 PolarHBondContact O-N 2.63Å; V59-T63 PolarHBondContact O-OG1 3.34Å; R60-T63 WeakPolarHBondContact CA-OG1 3.25Å; R60-T63 PolarHBondContact O-OG1 3.32Å; I61-T63 VanDerWaalsContact C-N 3.34Å; I61-T63 PolarHBondContact O-N 3.11Å; T63-R65 PolarHBondContact O-N 3.19Å
64	N	45	Very low	49	Very low	68 Å²	68	100 Å²	100	36%	0.364	48%	0.476	S	S	.	.			trans	-94.5	81.7	174.2	-154.3	-20	0	0	0	111.1	R60 I61 S66 F67	R60-N64 WeakPolarHBondContact O-CB 3.34Å; R60-N64 PolarHBondContact O-N 2.99Å; R60-N64 VanDerWaalsContact O-N 3.15Å; I61-N64 CarbonylContact O-C 3.57Å; I61-N64 PolarHBondContact O-N 2.95Å; I61-N64 VanDerWaalsContact O-O 3.07Å; N64-S66 PolarHBondContact O-N 3.33Å; N64-S66 PolarHBondContact OD1-OG 2.72Å; N64-F67 HydrophobicContact CB-CB 4.5Å; N64-F67 HydrophobicContact CB-CD2 3.94Å; N64-F67 VanDerWaalsContact CG-CD2 3.42Å; N64-F67 WeakPolarHBondContact ND2-CD2 3.27Å; N64-F67 VanDerWaalsContact ND2-CE2 3.31Å; N64-F67 WeakPolarHBondContact ND2-CE2 3.34Å; N64-F67 PolarHBondContact O-N 3.45Å
65	R	40.8	Very low	48.6	Very low	234 Å²	234	102.7 Å²	102.7	88%	0.883	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-14.9	177.4	-78.1	-172.7	-177.5	-178	2.1	114.3	T63	T63-R65 PolarHBondContact O-N 3.19Å
66	S	45.5	Very low	48.1	Very low	95 Å²	95	103.2 Å²	103.2	66%	0.664	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-17.4	174.2	72.5	0	0	0	0	114.7	N64	N64-S66 PolarHBondContact O-N 3.33Å; N64-S66 PolarHBondContact OD1-OG 2.72Å
67	F	46.1	Very low	47.3	Very low	97 Å²	97	105.6 Å²	105.6	43%	0.425	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-19.2	-175.9	-89.8	-94.4	0	0	0	114.5	I61 N64 Y91	I61-F67 HydrophobicContact CG2-CB 4.44Å; N64-F67 HydrophobicContact CB-CB 4.5Å; N64-F67 HydrophobicContact CB-CD2 3.94Å; N64-F67 VanDerWaalsContact CG-CD2 3.42Å; N64-F67 WeakPolarHBondContact ND2-CD2 3.27Å; N64-F67 VanDerWaalsContact ND2-CE2 3.31Å; N64-F67 WeakPolarHBondContact ND2-CE2 3.34Å; N64-F67 PolarHBondContact O-N 3.45Å; F67-Y91 WeakPolarHBondContact CE1-OH 3.39Å
68	I	41.3	Very low	47.2	Very low	56 Å²	56	106.1 Å²	106.1	29%	0.287	53%	0.525	S	S	.	.			trans	-106.3	85.5	174.6	-45.7	-178.3	0	0	0	108.8	I61 K70 L73	I61-I68 HydrophobicContact CB-CD1 4.14Å; I61-I68 HydrophobicContact CB-CG1 4.24Å; I61-I68 HydrophobicContact CG2-CB 4.43Å; I61-I68 HydrophobicContact CG2-CD1 3.26Å; I61-I68 HydrophobicContact CG2-CG1 2.99Å; I68-K70 PolarHBondContact O-N 3.39Å; I68-L73 HydrophobicContact CG2-CD1 3.61Å; I68-L73 HydrophobicContact CG2-CG 4.34Å
69	N	51.1	Low	47.6	Very low	80 Å²	80	103.3 Å²	103.3	43%	0.428	53%	0.525	S	S	.	.			trans	-67.7	122	147.8	-166.3	-4.6	0	0	0	106.1	E71 C72	N69-E71 PolarHBondContact ND2-OE2 3.4Å; N69-E71 PolarHBondContact O-N 2.9Å; N69-E71 PolarHBondContact OD1-N 3.5Å; N69-C72 PolarHBondContact O-N 2.85Å
70	K	52.1	Low	47.6	Very low	173 Å²	173	101.9 Å²	101.9	75%	0.752	51%	0.511	S	S	*	.	H	α-helix	trans	-54.7	-21.3	175.5	-81.1	-178.1	176.9	176.9	0	111.4	I68	I68-K70 PolarHBondContact O-N 3.39Å
71	E	48.2	Very low	47.7	Very low	109 Å²	109	99.9 Å²	99.9	51%	0.509	51%	0.506	S	S	.	.	H	α-helix	trans	-66.5	-41.5	171.8	-64.6	176.4	152.4	0	0	112.6	N69 L73 K74 E75	N69-E71 PolarHBondContact ND2-OE2 3.4Å; N69-E71 PolarHBondContact O-N 2.9Å; N69-E71 PolarHBondContact OD1-N 3.5Å; E71-L73 VanDerWaalsContact C-N 3.3Å; E71-L73 PolarHBondContact O-N 3.32Å; E71-K74 CarbonylContact O-C 3.56Å; E71-K74 PolarHBondContact O-N 3.23Å; E71-E75 WeakPolarHBondContact O-CB 3.46Å; E71-E75 WeakPolarHBondContact O-CG 3.36Å; E71-E75 PolarHBondContact O-N 3.21Å
72	C	47	Very low	48.3	Very low	58 Å²	58	104.8 Å²	104.8	39%	0.392	53%	0.527	S	S	.	.	H	α-helix	trans	-62.2	-34.2	178.7	-75.5	0	0	0	0	113.6	N69 K74	N69-C72 PolarHBondContact O-N 2.85Å; C72-K74 VanDerWaalsContact C-N 3.31Å
73	L	48.4	Very low	48.9	Very low	94 Å²	94	99.4 Å²	99.4	49%	0.492	50%	0.503	S	S	.	.	H	α-helix	trans	-75.7	-19.7	176.1	-72.6	170.7	0	0	0	112.9	I68 E71	I68-L73 HydrophobicContact CG2-CD1 3.61Å; I68-L73 HydrophobicContact CG2-CG 4.34Å; E71-L73 VanDerWaalsContact C-N 3.3Å; E71-L73 PolarHBondContact O-N 3.32Å
74	K	51.9	Low	49.3	Very low	184 Å²	184	94.5 Å²	94.5	80%	0.8	47%	0.473	S	S	*	.	H	α-helix	trans	-95.5	-36.1	178	-84.7	-174.2	173	-174.8	0	113	E71 C72	E71-K74 CarbonylContact O-C 3.56Å; E71-K74 PolarHBondContact O-N 3.23Å; C72-K74 VanDerWaalsContact C-N 3.31Å
75	E	47.5	Very low	49.8	Very low	151 Å²	151	97.6 Å²	97.6	71%	0.706	49%	0.485	S	S	*	.	H	α-helix	trans	-76.3	-29.8	-172.4	-75.9	-175.3	156.2	0	0	113.3	E71	E71-E75 WeakPolarHBondContact O-CB 3.46Å; E71-E75 WeakPolarHBondContact O-CG 3.36Å; E71-E75 PolarHBondContact O-N 3.21Å
76	E	48.9	Very low	50.7	Low	110 Å²	110	90.4 Å²	90.4	51%	0.514	46%	0.462	S	S	.	.	S	Bend	trans	-93.8	-7.6	-174.3	-60.6	-162.3	124.4	0	0	114.5	L78	E76-L78 HydrophobicContact CB-CB 4.35Å; E76-L78 HydrophobicContact CB-CD1 3.43Å; E76-L78 VanDerWaalsContact CB-CD1 3.43Å; E76-L78 HydrophobicContact CB-CG 3.57Å; E76-L78 HydrophobicContact CG-CD1 4.17Å; E76-L78 WeakPolarHBondContact O-CG 3.37Å; E76-L78 PolarHBondContact O-N 2.9Å; E76-L78 WeakPolarHBondContact OE2-CD1 3.32Å
77	G	45.3	Very low	51.1	Low	74 Å²	74	87.1 Å²	87.1	76%	0.763	44%	0.438	S	S	*	.			trans	53.6	17.4	-178.5	0	0	0	0	0	113.7
78	L	51.3	Low	51.6	Low	34 Å²	34	84.4 Å²	84.4	18%	0.178	43%	0.427	C	S	.	.			trans	-79	130.7	-173.2	-68.6	168.3	0	0	0	108.1	E76 Y80 K82 W83	E76-L78 HydrophobicContact CB-CB 4.35Å; E76-L78 HydrophobicContact CB-CD1 3.43Å; E76-L78 VanDerWaalsContact CB-CD1 3.43Å; E76-L78 HydrophobicContact CB-CG 3.57Å; E76-L78 HydrophobicContact CG-CD1 4.17Å; E76-L78 WeakPolarHBondContact O-CG 3.37Å; E76-L78 PolarHBondContact O-N 2.9Å; E76-L78 WeakPolarHBondContact OE2-CD1 3.32Å; L78-Y80 PolarHBondContact O-N 3.26Å; L78-K82 HydrophobicContact CB-CB 4.35Å; L78-K82 HydrophobicContact CD2-CB 3.97Å; L78-K82 HydrophobicContact CD2-CD 3.28Å; L78-K82 HydrophobicContact CD2-CG 3.61Å; L78-W83 HydrophobicContact CB-CB 4.24Å; L78-W83 HydrophobicContact CD1-CB 4.16Å
79	S	57.7	Low	52.3	Low	73 Å²	73	85.1 Å²	85.1	51%	0.51	44%	0.437	S	S	.	.			trans	-53	137.9	160.2	72.6	0	0	0	0	107.5	F81 K82 W83	S79-F81 CarbonylContact O-C 3.42Å; S79-F81 PolarHBondContact O-N 2.78Å; S79-K82 PolarHBondContact O-N 3.35Å; S79-K82 PolarHBondContact OG-N 2.87Å; S79-W83 PolarHBondContact O-N 3.35Å
80	Y	49.3	Very low	52.8	Low	45 Å²	45	89 Å²	89	18%	0.176	45%	0.45	C	S	.	.	H	α-helix	trans	-45.3	-35.2	178.9	-178.5	-85.7	0	0	0	112.4	R54 Y58 L78 A84	R54-Y80 HydrophobicContact CB-CE1 4.24Å; R54-Y80 HydrophobicContact CG-CD1 3.45Å; R54-Y80 VanDerWaalsContact CG-CD1 3.45Å; R54-Y80 HydrophobicContact CG-CE1 3.2Å; R54-Y80 WeakPolarHBondContact O-CE1 3.4Å; R54-Y80 PolarHBondContact O-OH 3.35Å; Y58-Y80 WeakPolarHBondContact CA-OH 3.31Å; Y58-Y80 WeakPolarHBondContact CB-OH 3.34Å; Y58-Y80 AromaticContact CD2-CE2 3.76Å; Y58-Y80 HydrophobicContact CD2-CE2 3.76Å; Y58-Y80 AromaticContact CD2-CZ 4Å; Y58-Y80 PolarHBondContact N-OH 3.15Å; L78-Y80 PolarHBondContact O-N 3.26Å; Y80-A84 HydrophobicContact CE1-CB 4.43Å; Y80-A84 VanDerWaalsContact O-CB 3.22Å; Y80-A84 WeakPolarHBondContact O-CB 3.33Å; Y80-A84 PolarHBondContact O-N 2.87Å
81	F	50.8	Low	52.9	Low	90 Å²	90	86.6 Å²	86.6	40%	0.395	44%	0.437	S	S	.	.	H	α-helix	trans	-60.9	-43.8	173.4	-74.2	-81.8	0	0	0	114.3	R54 S79 A84 H85	R54-F81 HydrophobicContact CG-CE1 4.4Å; R54-F81 HydrophobicContact CG-CZ 4.49Å; S79-F81 CarbonylContact O-C 3.42Å; S79-F81 PolarHBondContact O-N 2.78Å; F81-A84 PolarHBondContact O-N 3.07Å; F81-H85 WeakPolarHBondContact O-CB 3.23Å; F81-H85 PolarHBondContact O-N 2.85Å
82	K	56.3	Low	53.1	Low	119 Å²	119	89 Å²	89	52%	0.517	45%	0.448	S	S	.	.	H	α-helix	trans	-69	-39.8	-179.1	-166.2	173.1	158.9	-167.2	0	111.2	L78 S79 Q86	L78-K82 HydrophobicContact CB-CB 4.35Å; L78-K82 HydrophobicContact CD2-CB 3.97Å; L78-K82 HydrophobicContact CD2-CD 3.28Å; L78-K82 HydrophobicContact CD2-CG 3.61Å; S79-K82 PolarHBondContact O-N 3.35Å; S79-K82 PolarHBondContact OG-N 2.87Å; K82-Q86 WeakPolarHBondContact O-CB 3.23Å; K82-Q86 VanDerWaalsContact O-CG 3.26Å; K82-Q86 WeakPolarHBondContact O-CG 3.48Å; K82-Q86 PolarHBondContact O-N 3.34Å
83	W	57.8	Low	53.4	Low	34 Å²	34	87.9 Å²	87.9	13%	0.129	44%	0.438	C	S	.	.	H	α-helix	trans	-66.2	-43	173.5	179.9	91.6	0	0	0	111.9	I61 L78 S79 H85 Q86 T87	I61-W83 HydrophobicContact CD1-CE3 4.22Å; I61-W83 HydrophobicContact CD1-CH2 3.16Å; I61-W83 HydrophobicContact CD1-CZ2 4.37Å; I61-W83 HydrophobicContact CD1-CZ3 3.08Å; I61-W83 HydrophobicContact CG1-CH2 3.65Å; I61-W83 HydrophobicContact CG1-CZ3 4.07Å; I61-W83 HydrophobicContact CG2-CH2 4.25Å; L78-W83 HydrophobicContact CB-CB 4.24Å; L78-W83 HydrophobicContact CD1-CB 4.16Å; S79-W83 PolarHBondContact O-N 3.35Å; W83-H85 PolarHBondContact O-N 2.86Å; W83-Q86 PolarHBondContact O-N 2.91Å; W83-T87 HydrophobicContact CH2-CG2 4.26Å; W83-T87 WeakPolarHBondContact O-CB 3.2Å; W83-T87 PolarHBondContact O-N 3.43Å; W83-T87 PolarHBondContact O-OG1 3.11Å
84	A	53.4	Low	53.9	Low	7 Å²	7	87.8 Å²	87.8	6%	0.058	44%	0.438	C	S	.	.	H	α-helix	trans	-61.6	-45.1	176	0	0	0	0	0	111.5	L57 Y80 F81 T87 I88	L57-A84 HydrophobicContact CD1-CB 3.63Å; Y80-A84 HydrophobicContact CE1-CB 4.43Å; Y80-A84 VanDerWaalsContact O-CB 3.22Å; Y80-A84 WeakPolarHBondContact O-CB 3.33Å; Y80-A84 PolarHBondContact O-N 2.87Å; F81-A84 PolarHBondContact O-N 3.07Å; A84-T87 PolarHBondContact O-N 3.02Å; A84-I88 VanDerWaalsContact O-CG1 3.32Å; A84-I88 WeakPolarHBondContact O-CG1 3.47Å; A84-I88 PolarHBondContact O-N 3.09Å
85	H	55.5	Low	54.1	Low	133 Å²	133	82.1 Å²	82.1	62%	0.616	42%	0.416	S	S	*	.	H	α-helix	trans	-63.8	-44	176.5	-173.3	-85.4	0	0	0	112.1	F81 W83 T87 I88 S89	F81-H85 WeakPolarHBondContact O-CB 3.23Å; F81-H85 PolarHBondContact O-N 2.85Å; W83-H85 PolarHBondContact O-N 2.86Å; H85-T87 VanDerWaalsContact C-N 3.29Å; H85-T87 PolarHBondContact O-N 3.46Å; H85-I88 PolarHBondContact O-N 3.28Å; H85-S89 WeakPolarHBondContact O-CB 3.25Å; H85-S89 PolarHBondContact O-N 3.43Å
86	Q	59.4	Low	54.9	Low	83 Å²	83	79.1 Å²	79.1	39%	0.388	41%	0.409	S	S	.	.	H	α-helix	trans	-61.4	-38.9	173.8	-78.8	173.1	-27	0	0	111.8	K82 W83 S89 K90	K82-Q86 WeakPolarHBondContact O-CB 3.23Å; K82-Q86 VanDerWaalsContact O-CG 3.26Å; K82-Q86 WeakPolarHBondContact O-CG 3.48Å; K82-Q86 PolarHBondContact O-N 3.34Å; W83-Q86 PolarHBondContact O-N 2.91Å; Q86-S89 PolarHBondContact O-N 2.9Å; Q86-K90 WeakPolarHBondContact O-CB 3.09Å; Q86-K90 PolarHBondContact O-N 3.16Å
87	T	54.9	Low	55.6	Low	25 Å²	25	76.8 Å²	76.8	15%	0.153	40%	0.398	C	S	.	.	H	α-helix	trans	-67	-50.1	177.9	-59.2	0	0	0	0	111	W83 A84 H85 S89 K90 Y91	W83-T87 HydrophobicContact CH2-CG2 4.26Å; W83-T87 WeakPolarHBondContact O-CB 3.2Å; W83-T87 PolarHBondContact O-N 3.43Å; W83-T87 PolarHBondContact O-OG1 3.11Å; A84-T87 PolarHBondContact O-N 3.02Å; H85-T87 VanDerWaalsContact C-N 3.29Å; H85-T87 PolarHBondContact O-N 3.46Å; T87-S89 VanDerWaalsContact C-N 3.29Å; T87-S89 PolarHBondContact O-N 3.08Å; T87-K90 PolarHBondContact O-N 2.89Å; T87-Y91 HydrophobicContact CG2-CD2 3.76Å; T87-Y91 HydrophobicContact CG2-CE2 3.81Å; T87-Y91 WeakPolarHBondContact O-CD2 3.41Å; T87-Y91 PolarHBondContact O-N 2.97Å
88	I	55.1	Low	56.3	Low	41 Å²	41	74.4 Å²	74.4	21%	0.21	37%	0.366	C	S	.	.	H	α-helix	trans	-55.5	-46.9	174.8	-68.4	165.6	0	0	0	110.5	L53 L57 A84 H85 Y91 H92 L93	L53-I88 HydrophobicContact CD1-CD1 4.1Å; L57-I88 HydrophobicContact CD1-CD1 3.74Å; L57-I88 HydrophobicContact CD1-CG1 3.88Å; A84-I88 VanDerWaalsContact O-CG1 3.32Å; A84-I88 WeakPolarHBondContact O-CG1 3.47Å; A84-I88 PolarHBondContact O-N 3.09Å; H85-I88 PolarHBondContact O-N 3.28Å; I88-Y91 PolarHBondContact O-N 2.83Å; I88-H92 PolarHBondContact O-N 2.91Å; I88-L93 HydrophobicContact CG2-CB 4.4Å; I88-L93 WeakPolarHBondContact CG2-O 3.41Å; I88-L93 PolarHBondContact O-N 2.85Å; I88-L93 VanDerWaalsContact O-N 3.15Å
89	S	56.9	Low	56.9	Low	71 Å²	71	74.1 Å²	74.1	50%	0.497	37%	0.366	S	S	.	.	H	α-helix	trans	-65.5	-42.1	-179.8	-175.7	0	0	0	0	112.6	H85 Q86 T87 Y91 H92	H85-S89 WeakPolarHBondContact O-CB 3.25Å; H85-S89 PolarHBondContact O-N 3.43Å; Q86-S89 PolarHBondContact O-N 2.9Å; T87-S89 VanDerWaalsContact C-N 3.29Å; T87-S89 PolarHBondContact O-N 3.08Å; S89-Y91 VanDerWaalsContact C-N 3.33Å; S89-Y91 PolarHBondContact O-N 3.21Å; S89-H92 PolarHBondContact O-N 2.87Å; S89-H92 VanDerWaalsContact O-N 3.12Å
90	K	61.6	Low	57.4	Low	162 Å²	162	76 Å²	76	70%	0.704	36%	0.362	S	S	*	.	H	α-helix	trans	-65.6	-33.7	178.3	-176.6	176.9	-178.2	178.7	0	112.6	Q86 T87 H92	Q86-K90 WeakPolarHBondContact O-CB 3.09Å; Q86-K90 PolarHBondContact O-N 3.16Å; T87-K90 PolarHBondContact O-N 2.89Å; K90-H92 VanDerWaalsContact C-N 3.31Å
91	Y	54.5	Low	58.2	Low	121 Å²	121	76.5 Å²	76.5	48%	0.475	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	4.7	175.6	-71.9	-71	0	0	0	113.3	F67 T87 I88 S89 L93	F67-Y91 WeakPolarHBondContact CE1-OH 3.39Å; T87-Y91 HydrophobicContact CG2-CD2 3.76Å; T87-Y91 HydrophobicContact CG2-CE2 3.81Å; T87-Y91 WeakPolarHBondContact O-CD2 3.41Å; T87-Y91 PolarHBondContact O-N 2.97Å; I88-Y91 PolarHBondContact O-N 2.83Å; S89-Y91 VanDerWaalsContact C-N 3.33Å; S89-Y91 PolarHBondContact O-N 3.21Å; Y91-L93 PolarHBondContact O-N 2.86Å
92	H	51	Low	58.5	Low	161 Å²	161	72.8 Å²	72.8	75%	0.745	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	32.3	-175.6	-63	-68.3	0	0	0	113.3	I88 S89 K90 N94	I88-H92 PolarHBondContact O-N 2.91Å; S89-H92 PolarHBondContact O-N 2.87Å; S89-H92 VanDerWaalsContact O-N 3.12Å; K90-H92 VanDerWaalsContact C-N 3.31Å; H92-N94 VanDerWaalsContact C-N 3.3Å; H92-N94 PolarHBondContact O-N 3.48Å
93	L	53.5	Low	59.1	Low	34 Å²	34	71.6 Å²	71.6	18%	0.178	35%	0.349	C	S	.	.			trans	-75.1	91.3	179.3	-67.7	170.8	0	0	0	106.8	I88 Y91 Q97	I88-L93 HydrophobicContact CG2-CB 4.4Å; I88-L93 WeakPolarHBondContact CG2-O 3.41Å; I88-L93 PolarHBondContact O-N 2.85Å; I88-L93 VanDerWaalsContact O-N 3.15Å; Y91-L93 PolarHBondContact O-N 2.86Å; L93-Q97 HydrophobicContact CD2-CG 4.1Å
94	N	60.2	Low	59.8	Low	92 Å²	92	73.8 Å²	73.8	49%	0.492	36%	0.363	S	S	.	.			trans	-67.8	149.2	160.2	58.8	26.2	0	0	0	108.2	H92 T96 Q97 F98	H92-N94 VanDerWaalsContact C-N 3.3Å; H92-N94 PolarHBondContact O-N 3.48Å; N94-T96 PolarHBondContact O-N 3.33Å; N94-Q97 WeakPolarHBondContact O-CA 3.33Å; N94-Q97 WeakPolarHBondContact O-CB 3.5Å; N94-Q97 PolarHBondContact O-N 2.83Å; N94-Q97 WeakPolarHBondContact OD1-CA 3.32Å; N94-Q97 WeakPolarHBondContact OD1-CB 3.03Å; N94-Q97 PolarHBondContact OD1-N 3.34Å; N94-F98 PolarHBondContact O-N 3.01Å
95	D	56.1	Low	60.4	Low	64 Å²	64	78.8 Å²	78.8	34%	0.342	38%	0.38	S	S	.	.	H	α-helix	trans	-48.3	-36.7	-178.5	-61.6	-2.8	0	0	0	111.6	Y49 F98 V99	Y49-D95 VanDerWaalsContact CE1-OD2 3.31Å; Y49-D95 WeakPolarHBondContact CE1-OD2 3.49Å; Y49-D95 VanDerWaalsContact CZ-CG 3.46Å; Y49-D95 WeakPolarHBondContact OH-CB 3.38Å; Y49-D95 PolarHBondContact OH-OD1 3.47Å; Y49-D95 PolarHBondContact OH-OD2 3.39Å; D95-F98 PolarHBondContact O-N 3Å; D95-V99 VanDerWaalsContact O-CG2 3.28Å; D95-V99 WeakPolarHBondContact O-CG2 3.48Å; D95-V99 PolarHBondContact O-N 2.96Å
96	T	63.9	Low	60.7	Low	89 Å²	89	75 Å²	75	55%	0.546	36%	0.362	S	S	.	.	H	α-helix	trans	-62.2	-44.9	175.2	-45.1	0	0	0	0	113.4	N94 R100	N94-T96 PolarHBondContact O-N 3.33Å; T96-R100 VanDerWaalsContact O-CB 3.31Å; T96-R100 WeakPolarHBondContact O-CB 3.48Å; T96-R100 PolarHBondContact O-N 3Å
97	Q	63.9	Low	61.3	Low	60 Å²	60	76 Å²	76	28%	0.28	37%	0.367	S	S	.	.	H	α-helix	trans	-67.6	-41	177.4	-175.6	63.8	33.9	0	0	110.8	L93 N94 V99 R100 D101	L93-Q97 HydrophobicContact CD2-CG 4.1Å; N94-Q97 WeakPolarHBondContact O-CA 3.33Å; N94-Q97 WeakPolarHBondContact O-CB 3.5Å; N94-Q97 PolarHBondContact O-N 2.83Å; N94-Q97 WeakPolarHBondContact OD1-CA 3.32Å; N94-Q97 WeakPolarHBondContact OD1-CB 3.03Å; N94-Q97 PolarHBondContact OD1-N 3.34Å; Q97-V99 PolarHBondContact O-N 3.03Å; Q97-R100 PolarHBondContact O-N 3.25Å; Q97-D101 PolarHBondContact NE2-OD1 2.98Å; Q97-D101 VanDerWaalsContact O-CG 3.23Å; Q97-D101 PolarHBondContact O-N 3.25Å
98	F	60.3	Low	62.2	Low	24 Å²	24	79.9 Å²	79.9	11%	0.105	38%	0.379	C	S	.	.	H	α-helix	trans	-59	-49.9	175.6	175.1	-94.3	0	0	0	111.3	Y40 L56 N94 D95 R100 D101 V102	Y40-F98 AromaticContact CD2-CD1 3.96Å; Y40-F98 HydrophobicContact CD2-CD1 3.96Å; Y40-F98 AromaticContact CD2-CE1 3.74Å; Y40-F98 HydrophobicContact CD2-CE1 3.74Å; Y40-F98 AromaticContact CE2-CD1 3.74Å; Y40-F98 HydrophobicContact CE2-CD1 3.74Å; Y40-F98 HydrophobicContact CE2-CE1 4.01Å; L56-F98 HydrophobicContact CD1-CE1 3.81Å; L56-F98 HydrophobicContact CD1-CE2 4.16Å; L56-F98 HydrophobicContact CD1-CZ 3.31Å; N94-F98 PolarHBondContact O-N 3.01Å; D95-F98 PolarHBondContact O-N 3Å; F98-R100 VanDerWaalsContact C-N 3.3Å; F98-R100 PolarHBondContact O-N 3.3Å; F98-D101 PolarHBondContact O-N 2.99Å; F98-V102 HydrophobicContact CD1-CG2 4.34Å; F98-V102 HydrophobicContact CE1-CG2 3.77Å; F98-V102 HydrophobicContact CE2-CG2 3.98Å; F98-V102 HydrophobicContact CZ-CG2 3.54Å; F98-V102 WeakPolarHBondContact O-CG2 3.42Å; F98-V102 PolarHBondContact O-N 3.39Å
99	V	62.9	Low	62.5	Low	29 Å²	29	78 Å²	78	18%	0.176	37%	0.369	C	S	.	.	H	α-helix	trans	-59.8	-43.5	178	171	0	0	0	0	110.9	Y40 D95 Q97 D101 V102 Q103	Y40-V99 HydrophobicContact CD1-CG2 4.1Å; Y40-V99 HydrophobicContact CD2-CG2 4.4Å; Y40-V99 HydrophobicContact CE1-CG2 3.42Å; Y40-V99 VanDerWaalsContact CE1-CG2 3.42Å; Y40-V99 HydrophobicContact CE2-CG2 3.73Å; Y40-V99 WeakPolarHBondContact OH-CG2 3.33Å; D95-V99 VanDerWaalsContact O-CG2 3.28Å; D95-V99 WeakPolarHBondContact O-CG2 3.48Å; D95-V99 PolarHBondContact O-N 2.96Å; Q97-V99 PolarHBondContact O-N 3.03Å; V99-D101 PolarHBondContact O-N 2.89Å; V99-V102 PolarHBondContact O-N 2.92Å; V99-Q103 HydrophobicContact CG1-CG 4.29Å; V99-Q103 WeakPolarHBondContact O-CB 3.31Å; V99-Q103 VanDerWaalsContact O-CG 3.29Å; V99-Q103 WeakPolarHBondContact O-CG 3.34Å; V99-Q103 PolarHBondContact O-N 3.34Å
100	R	69.4	Low	63	Low	113 Å²	113	77.3 Å²	77.3	43%	0.426	36%	0.358	S	S	.	.	H	α-helix	trans	-60.4	-43.8	176.6	-170.9	-175.1	-62.8	142.1	-2.6	111.9	T96 Q97 F98 V102 Q103 N104	T96-R100 VanDerWaalsContact O-CB 3.31Å; T96-R100 WeakPolarHBondContact O-CB 3.48Å; T96-R100 PolarHBondContact O-N 3Å; Q97-R100 PolarHBondContact O-N 3.25Å; F98-R100 VanDerWaalsContact C-N 3.3Å; F98-R100 PolarHBondContact O-N 3.3Å; R100-V102 PolarHBondContact O-N 2.99Å; R100-Q103 PolarHBondContact O-N 2.78Å; R100-N104 WeakPolarHBondContact O-CB 3.32Å; R100-N104 PolarHBondContact O-N 3.4Å; R100-N104 PolarHBondContact O-ND2 2.98Å; R100-N104 PolarHBondContact O-OD1 2.98Å
101	D	64.6	Low	63.6	Low	55 Å²	55	75.6 Å²	75.6	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-64	-40.6	178.8	-69.9	-13.4	0	0	0	111.9	Q97 F98 V99 R105	Q97-D101 PolarHBondContact NE2-OD1 2.98Å; Q97-D101 VanDerWaalsContact O-CG 3.23Å; Q97-D101 PolarHBondContact O-N 3.25Å; F98-D101 PolarHBondContact O-N 2.99Å; V99-D101 PolarHBondContact O-N 2.89Å; D101-R105 WeakPolarHBondContact O-CB 3.05Å; D101-R105 PolarHBondContact O-N 3.5Å
102	V	58.4	Low	64.2	Low	11 Å²	11	72.5 Å²	72.5	7%	0.067	34%	0.34	C	S	.	.	H	α-helix	trans	-69.2	-40.1	176.8	-178.7	0	0	0	0	111.1	V33 L37 F98 V99 R100 R105 K106	V33-V102 HydrophobicContact CG1-CG1 3.97Å; L37-V102 HydrophobicContact CD1-CG1 4.07Å; L37-V102 HydrophobicContact CD2-CB 4.06Å; L37-V102 HydrophobicContact CD2-CG1 3.51Å; L37-V102 HydrophobicContact CG-CG1 3.52Å; F98-V102 HydrophobicContact CD1-CG2 4.34Å; F98-V102 HydrophobicContact CE1-CG2 3.77Å; F98-V102 HydrophobicContact CE2-CG2 3.98Å; F98-V102 HydrophobicContact CZ-CG2 3.54Å; F98-V102 WeakPolarHBondContact O-CG2 3.42Å; F98-V102 PolarHBondContact O-N 3.39Å; V99-V102 PolarHBondContact O-N 2.92Å; R100-V102 PolarHBondContact O-N 2.99Å; V102-R105 PolarHBondContact O-N 2.78Å; V102-K106 PolarHBondContact O-N 2.91Å
103	Q	67.7	Low	64.8	Low	94 Å²	94	67.6 Å²	67.6	44%	0.439	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-48.8	173.8	-76.5	173.7	-24.2	0	0	111.7	L37 V99 R100 R105 K106 E107	L37-Q103 HydrophobicContact CD2-CG 4.48Å; V99-Q103 HydrophobicContact CG1-CG 4.29Å; V99-Q103 WeakPolarHBondContact O-CB 3.31Å; V99-Q103 VanDerWaalsContact O-CG 3.29Å; V99-Q103 WeakPolarHBondContact O-CG 3.34Å; V99-Q103 PolarHBondContact O-N 3.34Å; R100-Q103 PolarHBondContact O-N 2.78Å; Q103-R105 PolarHBondContact O-N 3.34Å; Q103-K106 WeakPolarHBondContact O-CA 3.35Å; Q103-K106 WeakPolarHBondContact O-CB 3.35Å; Q103-K106 PolarHBondContact O-N 2.94Å; Q103-E107 PolarHBondContact O-N 3.13Å
104	N	72.4	Confident	65.3	Low	80 Å²	80	72.4 Å²	72.4	43%	0.428	34%	0.34	S	S	.	.	H	α-helix	trans	-57.4	-38.3	175.4	-69.4	-14.9	0	0	0	111.4	R100 W108	R100-N104 WeakPolarHBondContact O-CB 3.32Å; R100-N104 PolarHBondContact O-N 3.4Å; R100-N104 PolarHBondContact O-ND2 2.98Å; R100-N104 PolarHBondContact O-OD1 2.98Å; N104-W108 WeakPolarHBondContact O-CB 3.36Å; N104-W108 PolarHBondContact O-N 3.4Å
105	R	66.6	Low	65.4	Low	112 Å²	112	71 Å²	71	42%	0.423	34%	0.338	S	S	.	.	H	α-helix	trans	-66.7	-38.5	176.5	-174.4	58.9	175.7	175.1	3.7	112.2	V33 D101 V102 Q103 L109	V33-R105 HydrophobicContact CG2-CG 4.28Å; D101-R105 WeakPolarHBondContact O-CB 3.05Å; D101-R105 PolarHBondContact O-N 3.5Å; V102-R105 PolarHBondContact O-N 2.78Å; Q103-R105 PolarHBondContact O-N 3.34Å; R105-L109 HydrophobicContact CG-CD1 4.4Å; R105-L109 WeakPolarHBondContact O-CG 2.98Å; R105-L109 PolarHBondContact O-N 3.47Å; R105-L109 VanDerWaalsContact O-N 3.11Å
106	K	62.2	Low	65.3	Low	55 Å²	55	69.7 Å²	69.7	24%	0.239	33%	0.33	C	S	.	.	H	α-helix	trans	-61.9	-51	173.9	179.6	-179.5	173.9	-73.3	0	110.9	Y30 V33 L37 V102 Q103 W108 L109 E110	Y30-K106 HydrophobicContact CE2-CG 4.07Å; V33-K106 HydrophobicContact CG1-CB 4.03Å; L37-K106 HydrophobicContact CD1-CB 4.44Å; L37-K106 HydrophobicContact CD1-CD 3.78Å; V102-K106 PolarHBondContact O-N 2.91Å; Q103-K106 WeakPolarHBondContact O-CA 3.35Å; Q103-K106 WeakPolarHBondContact O-CB 3.35Å; Q103-K106 PolarHBondContact O-N 2.94Å; K106-W108 VanDerWaalsContact C-N 3.33Å; K106-W108 PolarHBondContact O-N 2.86Å; K106-L109 WeakPolarHBondContact O-CB 3.33Å; K106-L109 PolarHBondContact O-N 3.46Å; K106-L109 VanDerWaalsContact O-N 3.08Å; K106-E110 WeakPolarHBondContact CE-OE1 3.22Å; K106-E110 IonicContact NZ-OE1 3.75Å; K106-E110 PolarHBondContact NZ-OE1 3.36Å; K106-E110 IonicContact NZ-OE2 3.4Å; K106-E110 PolarHBondContact NZ-OE2 3.02Å; K106-E110 WeakPolarHBondContact O-CG 2.93Å; K106-E110 PolarHBondContact O-N 3.25Å
107	E	72	Confident	64.7	Low	104 Å²	104	69.1 Å²	69.1	49%	0.486	33%	0.326	S	S	.	.	H	α-helix	trans	-59.5	-42.2	179.2	-69.6	174.8	-176.5	0	0	112	Q103 L109 E110 Q111	Q103-E107 PolarHBondContact O-N 3.13Å; E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 2.83Å; E107-E110 PolarHBondContact O-N 3.43Å; E107-Q111 WeakPolarHBondContact O-CG 3.32Å; E107-Q111 PolarHBondContact O-N 3.48Å
108	W	72.9	Confident	64.1	Low	105 Å²	105	69.9 Å²	69.9	40%	0.398	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-39.5	174.8	-179.1	86.9	0	0	0	112.6	N104 K106 R112	N104-W108 WeakPolarHBondContact O-CB 3.36Å; N104-W108 PolarHBondContact O-N 3.4Å; K106-W108 VanDerWaalsContact C-N 3.33Å; K106-W108 PolarHBondContact O-N 2.86Å; W108-R112 VanDerWaalsContact CH2-CD 3.44Å; W108-R112 WeakPolarHBondContact O-CB 3.37Å; W108-R112 PolarHBondContact O-N 3.22Å; W108-R112 VanDerWaalsContact O-N 3.11Å
109	L	61.2	Low	63.5	Low	2 Å²	2	72.5 Å²	72.5	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-69.6	-38.5	176.4	-73.4	168.7	0	0	0	111.8	I26 Y30 V33 R105 K106 E107 R112 L113	I26-L109 HydrophobicContact CG2-CD2 4.02Å; Y30-L109 HydrophobicContact CD2-CB 4.32Å; V33-L109 HydrophobicContact CB-CD1 4.42Å; V33-L109 HydrophobicContact CG2-CD1 4.02Å; R105-L109 HydrophobicContact CG-CD1 4.4Å; R105-L109 WeakPolarHBondContact O-CG 2.98Å; R105-L109 PolarHBondContact O-N 3.47Å; R105-L109 VanDerWaalsContact O-N 3.11Å; K106-L109 WeakPolarHBondContact O-CB 3.33Å; K106-L109 PolarHBondContact O-N 3.46Å; K106-L109 VanDerWaalsContact O-N 3.08Å; E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 2.83Å; L109-R112 PolarHBondContact O-N 2.99Å; L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 PolarHBondContact O-N 2.88Å
110	E	68.7	Low	62.7	Low	56 Å²	56	78.8 Å²	78.8	26%	0.262	39%	0.386	S	S	.	.	H	α-helix	trans	-61.8	-49.9	176	-74.1	173.8	148.1	0	0	111	Y30 K106 E107 R112 L113 E114	Y30-E110 HydrophobicContact CD2-CG 4.13Å; Y30-E110 HydrophobicContact CE2-CG 3.56Å; Y30-E110 PolarHBondContact OH-OE1 3.5Å; K106-E110 WeakPolarHBondContact CE-OE1 3.22Å; K106-E110 IonicContact NZ-OE1 3.75Å; K106-E110 PolarHBondContact NZ-OE1 3.36Å; K106-E110 IonicContact NZ-OE2 3.4Å; K106-E110 PolarHBondContact NZ-OE2 3.02Å; K106-E110 WeakPolarHBondContact O-CG 2.93Å; K106-E110 PolarHBondContact O-N 3.25Å; E107-E110 PolarHBondContact O-N 3.43Å; E110-R112 VanDerWaalsContact C-N 3.28Å; E110-R112 PolarHBondContact O-N 3.46Å; E110-L113 PolarHBondContact O-N 3.2Å; E110-L113 VanDerWaalsContact O-N 3.16Å; E110-E114 WeakPolarHBondContact O-CG 3.48Å; E110-E114 PolarHBondContact O-N 3.48Å
111	Q	74.3	Confident	61.6	Low	126 Å²	126	79.3 Å²	79.3	59%	0.589	40%	0.397	S	S	*	.	H	α-helix	trans	-59.5	-39.1	175.9	-70.9	174.8	1.5	0	0	112.3	E107 S115	E107-Q111 WeakPolarHBondContact O-CG 3.32Å; E107-Q111 PolarHBondContact O-N 3.48Å; Q111-S115 WeakPolarHBondContact O-CB 3.33Å; Q111-S115 PolarHBondContact O-N 2.97Å; Q111-S115 PolarHBondContact O-OG 3.12Å
112	R	67.1	Low	60.8	Low	57 Å²	57	82.5 Å²	82.5	22%	0.215	42%	0.418	C	S	.	.	H	α-helix	trans	-69.3	-40.2	178	-166.5	169.6	162.5	120.9	-7.2	111.2	C19 I26 W108 L109 E110 S115 M116	C19-R112 PolarHBondContact O-NH2 3.28Å; I26-R112 HydrophobicContact CD1-CG 4.17Å; W108-R112 VanDerWaalsContact CH2-CD 3.44Å; W108-R112 WeakPolarHBondContact O-CB 3.37Å; W108-R112 PolarHBondContact O-N 3.22Å; W108-R112 VanDerWaalsContact O-N 3.11Å; L109-R112 PolarHBondContact O-N 2.99Å; E110-R112 VanDerWaalsContact C-N 3.28Å; E110-R112 PolarHBondContact O-N 3.46Å; R112-S115 WeakPolarHBondContact CA-OG 3.26Å; R112-S115 PolarHBondContact O-N 2.79Å; R112-S115 PolarHBondContact O-OG 3.49Å; R112-M116 HydrophobicContact CG-CE 4.19Å; R112-M116 VanDerWaalsContact O-CG 3.27Å; R112-M116 WeakPolarHBondContact O-CG 3.49Å; R112-M116 PolarHBondContact O-N 3.36Å
113	L	62.1	Low	60.5	Low	57 Å²	57	88.2 Å²	88.2	30%	0.298	45%	0.449	S	S	.	.	H	α-helix	trans	-64	-44.6	174.8	-172.4	65.8	0	0	0	111.3	L109 E110 S115 M116 V117	L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 PolarHBondContact O-N 2.88Å; E110-L113 PolarHBondContact O-N 3.2Å; E110-L113 VanDerWaalsContact O-N 3.16Å; L113-S115 PolarHBondContact O-N 3.28Å; L113-M116 PolarHBondContact O-N 2.89Å; L113-V117 VanDerWaalsContact O-CG2 3.32Å; L113-V117 WeakPolarHBondContact O-CG2 3.38Å; L113-V117 PolarHBondContact O-N 3.18Å
114	E	64.1	Low	59.6	Low	135 Å²	135	88.1 Å²	88.1	63%	0.631	45%	0.45	S	S	*	.	H	α-helix	trans	-60.1	-45	174.3	-74.1	177	179.3	0	0	111.7	E110 M116 V117 A118	E110-E114 WeakPolarHBondContact O-CG 3.48Å; E110-E114 PolarHBondContact O-N 3.48Å; E114-M116 VanDerWaalsContact C-N 3.26Å; E114-M116 PolarHBondContact O-N 3.15Å; E114-V117 PolarHBondContact O-N 3.46Å; E114-A118 WeakPolarHBondContact O-CB 3.24Å; E114-A118 PolarHBondContact O-N 2.94Å
115	S	62.7	Low	58.2	Low	63 Å²	63	89.8 Å²	89.8	44%	0.441	46%	0.458	S	S	.	.	H	α-helix	trans	-61.8	-34.5	176.2	76.1	0	0	0	0	112.4	Q111 R112 L113 V119	Q111-S115 WeakPolarHBondContact O-CB 3.33Å; Q111-S115 PolarHBondContact O-N 2.97Å; Q111-S115 PolarHBondContact O-OG 3.12Å; R112-S115 WeakPolarHBondContact CA-OG 3.26Å; R112-S115 PolarHBondContact O-N 2.79Å; R112-S115 PolarHBondContact O-OG 3.49Å; L113-S115 PolarHBondContact O-N 3.28Å; S115-V119 WeakPolarHBondContact O-CG2 3.15Å; S115-V119 PolarHBondContact O-N 2.84Å
116	M	53.1	Low	57.4	Low	36 Å²	36	86.5 Å²	86.5	18%	0.177	46%	0.459	C	S	.	.	H	α-helix	trans	-75.7	-34.2	176.9	-73	-179.4	170.3	0	0	112.7	V20 T23 I26 R112 L113 E114 V119	V20-M116 HydrophobicContact CG1-CE 4.06Å; T23-M116 HydrophobicContact CG2-CB 4.19Å; T23-M116 HydrophobicContact CG2-CG 4.4Å; T23-M116 HydrophobicContact CG2-SD 3.72Å; I26-M116 HydrophobicContact CD1-CE 3.08Å; I26-M116 HydrophobicContact CD1-SD 3.34Å; I26-M116 WeakPolarHBondContact CD1-SD 3.49Å; R112-M116 HydrophobicContact CG-CE 4.19Å; R112-M116 VanDerWaalsContact O-CG 3.27Å; R112-M116 WeakPolarHBondContact O-CG 3.49Å; R112-M116 PolarHBondContact O-N 3.36Å; L113-M116 PolarHBondContact O-N 2.89Å; E114-M116 VanDerWaalsContact C-N 3.26Å; E114-M116 PolarHBondContact O-N 3.15Å; M116-V119 PolarHBondContact O-N 3.06Å
117	V	52.1	Low	57.2	Low	77 Å²	77	89 Å²	89	47%	0.467	48%	0.475	S	S	.	.	H	α-helix	trans	-71.5	-35.5	174.4	172.8	0	0	0	0	111	L113 E114 V119 K120	L113-V117 VanDerWaalsContact O-CG2 3.32Å; L113-V117 WeakPolarHBondContact O-CG2 3.38Å; L113-V117 PolarHBondContact O-N 3.18Å; E114-V117 PolarHBondContact O-N 3.46Å; V117-V119 PolarHBondContact O-N 3.4Å; V117-K120 HydrophobicContact CG1-CD 4.47Å; V117-K120 WeakPolarHBondContact O-CB 3.36Å; V117-K120 VanDerWaalsContact O-CG 3.32Å; V117-K120 WeakPolarHBondContact O-CG 3.39Å; V117-K120 PolarHBondContact O-N 2.98Å
118	A	52	Low	56	Low	76 Å²	76	88.7 Å²	88.7	63%	0.628	48%	0.476	S	S	*	.	H	α-helix	trans	-66.6	-23.6	172.2	0	0	0	0	0	112.7	E114 K120	E114-A118 WeakPolarHBondContact O-CB 3.24Å; E114-A118 PolarHBondContact O-N 2.94Å; A118-K120 PolarHBondContact O-N 3Å
119	V	46.9	Very low	54.8	Low	80 Å²	80	88.6 Å²	88.6	49%	0.485	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	11.8	175.4	172.8	0	0	0	0	112.7	S115 M116 V117 D121 I124	S115-V119 WeakPolarHBondContact O-CG2 3.15Å; S115-V119 PolarHBondContact O-N 2.84Å; M116-V119 PolarHBondContact O-N 3.06Å; V117-V119 PolarHBondContact O-N 3.4Å; V119-D121 PolarHBondContact O-N 3.28Å; V119-I124 HydrophobicContact CG1-CD1 4.43Å
120	K	46.8	Very low	54.6	Low	161 Å²	161	91.3 Å²	91.3	70%	0.7	50%	0.502	S	S	*	.			trans	-62.5	2.1	171.4	-83.5	-178.1	175.7	-178.8	0	115	V117 A118 V122	V117-K120 HydrophobicContact CG1-CD 4.47Å; V117-K120 WeakPolarHBondContact O-CB 3.36Å; V117-K120 VanDerWaalsContact O-CG 3.32Å; V117-K120 WeakPolarHBondContact O-CG 3.39Å; V117-K120 PolarHBondContact O-N 2.98Å; A118-K120 PolarHBondContact O-N 3Å; K120-V122 PolarHBondContact O-N 2.99Å
121	D	45.9	Very low	53.8	Low	123 Å²	123	91.9 Å²	91.9	66%	0.658	51%	0.512	S	S	*	.			trans	-69.2	97.2	165.3	-85.1	-33.7	0	0	0	110.8	V119 D123 I124	V119-D121 PolarHBondContact O-N 3.28Å; D121-D123 PolarHBondContact O-N 3.5Å; D121-I124 PolarHBondContact O-N 3.04Å; D121-I124 VanDerWaalsContact O-N 3.1Å
122	V	48.2	Very low	52.5	Low	123 Å²	123	89.1 Å²	89.1	75%	0.745	50%	0.501	S	S	*	.	H	α-helix	trans	-44.2	-20.6	-177	176.6	0	0	0	0	115.2	K120 G126	K120-V122 PolarHBondContact O-N 2.99Å; V122-G126 PolarHBondContact O-N 2.87Å
123	D	51.8	Low	51.9	Low	131 Å²	131	90 Å²	90	70%	0.701	52%	0.516	S	S	*	.	H	α-helix	trans	-73.8	-28.2	179.2	-86.9	-14.5	0	0	0	114.8	D121 N127	D121-D123 PolarHBondContact O-N 3.5Å; D123-N127 WeakPolarHBondContact O-CB 3.37Å; D123-N127 PolarHBondContact O-N 3.32Å; D123-N127 VanDerWaalsContact O-N 3.15Å; D123-N127 PolarHBondContact O-ND2 2.62Å
124	I	48.5	Very low	52.1	Low	91 Å²	91	93.9 Å²	93.9	47%	0.467	53%	0.53	S	S	.	.	H	α-helix	trans	-71.3	-39.9	178.1	-62.4	177.6	0	0	0	109.9	V119 D121 G126 N127 L128	V119-I124 HydrophobicContact CG1-CD1 4.43Å; D121-I124 PolarHBondContact O-N 3.04Å; D121-I124 VanDerWaalsContact O-N 3.1Å; I124-G126 PolarHBondContact O-N 3.42Å; I124-N127 PolarHBondContact O-N 3.07Å; I124-L128 VanDerWaalsContact O-CB 3.25Å; I124-L128 WeakPolarHBondContact O-CB 3.49Å; I124-L128 PolarHBondContact O-N 3.43Å
125	L	43	Very low	51.3	Low	116 Å²	116	95.1 Å²	95.1	61%	0.607	53%	0.534	S	S	*	.	H	α-helix	trans	-64.2	-40.8	179.1	-163.7	73.1	0	0	0	111.3	L128 L129	L125-L128 PolarHBondContact O-N 2.79Å; L125-L129 HydrophobicContact CG-CD1 4.19Å; L125-L129 WeakPolarHBondContact O-CB 3.47Å; L125-L129 VanDerWaalsContact O-CG 3.25Å; L125-L129 WeakPolarHBondContact O-CG 3.39Å; L125-L129 PolarHBondContact O-N 3.33Å
126	G	50.1	Low	51	Low	42 Å²	42	98.4 Å²	98.4	43%	0.433	54%	0.537	S	S	.	.	H	α-helix	trans	-62.5	-44.9	175.1	0	0	0	0	0	112.9	V122 I124 S130	V122-G126 PolarHBondContact O-N 2.87Å; I124-G126 PolarHBondContact O-N 3.42Å; G126-S130 WeakPolarHBondContact O-CB 3.29Å; G126-S130 PolarHBondContact O-N 2.92Å
127	N	57	Low	51.6	Low	109 Å²	109	101.9 Å²	101.9	58%	0.583	55%	0.552	S	S	*	*	H	α-helix	trans	-68.3	-35.8	177.3	-74.2	-37.7	0	0	0	112.7	D123 I124 S131	D123-N127 WeakPolarHBondContact O-CB 3.37Å; D123-N127 PolarHBondContact O-N 3.32Å; D123-N127 VanDerWaalsContact O-N 3.15Å; D123-N127 PolarHBondContact O-ND2 2.62Å; I124-N127 PolarHBondContact O-N 3.07Å; N127-S131 WeakPolarHBondContact O-CB 3.46Å; N127-S131 PolarHBondContact O-N 2.88Å; N127-S131 PolarHBondContact O-OG 3.12Å
128	L	47.4	Very low	52.2	Low	96 Å²	96	102.2 Å²	102.2	50%	0.503	55%	0.554	S	S	.	*	H	α-helix	trans	-68	-47.2	176	-154.2	92.8	0	0	0	110.7	I124 L125 S130 S131 I132	I124-L128 VanDerWaalsContact O-CB 3.25Å; I124-L128 WeakPolarHBondContact O-CB 3.49Å; I124-L128 PolarHBondContact O-N 3.43Å; L125-L128 PolarHBondContact O-N 2.79Å; L128-S130 VanDerWaalsContact C-N 3.35Å; L128-S130 PolarHBondContact O-N 2.85Å; L128-S131 PolarHBondContact O-N 2.9Å; L128-I132 HydrophobicContact CD2-CD1 3.84Å; L128-I132 HydrophobicContact CG-CD1 4Å; L128-I132 VanDerWaalsContact O-CB 3.3Å; L128-I132 WeakPolarHBondContact O-CB 3.4Å; L128-I132 WeakPolarHBondContact O-CG1 3.22Å; L128-I132 PolarHBondContact O-N 3.42Å
129	L	47	Very low	52	Low	103 Å²	103	105 Å²	105	54%	0.539	55%	0.548	S	S	.	.	H	α-helix	trans	-61.9	-41.1	176.7	-74.1	171.1	0	0	0	111.8	L125 I132 S133	L125-L129 HydrophobicContact CG-CD1 4.19Å; L125-L129 WeakPolarHBondContact O-CB 3.47Å; L125-L129 VanDerWaalsContact O-CG 3.25Å; L125-L129 WeakPolarHBondContact O-CG 3.39Å; L125-L129 PolarHBondContact O-N 3.33Å; L129-I132 PolarHBondContact O-N 3.19Å; L129-S133 WeakPolarHBondContact O-CB 3Å; L129-S133 PolarHBondContact O-N 3.2Å
130	S	57.1	Low	52.9	Low	60 Å²	60	105.4 Å²	105.4	42%	0.42	55%	0.548	S	S	.	.	H	α-helix	trans	-62.6	-43.5	174.4	-173.2	0	0	0	0	112.1	G126 L128 S133 K134	G126-S130 WeakPolarHBondContact O-CB 3.29Å; G126-S130 PolarHBondContact O-N 2.92Å; L128-S130 VanDerWaalsContact C-N 3.35Å; L128-S130 PolarHBondContact O-N 2.85Å; S130-S133 PolarHBondContact O-N 3.07Å; S130-K134 PolarHBondContact O-N 3.25Å
131	S	53.6	Low	53.8	Low	67 Å²	67	103.7 Å²	103.7	47%	0.469	54%	0.54	S	S	.	.	H	α-helix	trans	-68.8	-36.5	177.6	-64.1	0	0	0	0	112.7	N127 L128 K135	N127-S131 WeakPolarHBondContact O-CB 3.46Å; N127-S131 PolarHBondContact O-N 2.88Å; N127-S131 PolarHBondContact O-OG 3.12Å; L128-S131 PolarHBondContact O-N 2.9Å; S131-K135 WeakPolarHBondContact O-CB 3.42Å; S131-K135 VanDerWaalsContact O-CG 3.31Å; S131-K135 WeakPolarHBondContact O-CG 3.31Å; S131-K135 PolarHBondContact O-N 2.85Å; S131-K135 VanDerWaalsContact O-N 3.11Å
132	I	46.9	Very low	54.2	Low	68 Å²	68	103.2 Å²	103.2	35%	0.349	54%	0.538	S	S	.	.	H	α-helix	trans	-64.2	-48.5	173.7	-74.7	167.6	0	0	0	109.3	L128 L129 K134 K135 W136	L128-I132 HydrophobicContact CD2-CD1 3.84Å; L128-I132 HydrophobicContact CG-CD1 4Å; L128-I132 VanDerWaalsContact O-CB 3.3Å; L128-I132 WeakPolarHBondContact O-CB 3.4Å; L128-I132 WeakPolarHBondContact O-CG1 3.22Å; L128-I132 PolarHBondContact O-N 3.42Å; L129-I132 PolarHBondContact O-N 3.19Å; I132-K134 PolarHBondContact O-N 2.9Å; I132-K135 CarbonylContact O-C 3.59Å; I132-K135 WeakPolarHBondContact O-CA 3.11Å; I132-K135 PolarHBondContact O-N 2.89Å; I132-W136 PolarHBondContact O-N 3.49Å
133	S	54	Low	54.5	Low	77 Å²	77	100.1 Å²	100.1	54%	0.538	52%	0.519	S	S	.	.	H	α-helix	trans	-56.4	-48.1	177.5	-177.4	0	0	0	0	112.2	L129 S130 K135 W136 E137	L129-S133 WeakPolarHBondContact O-CB 3Å; L129-S133 PolarHBondContact O-N 3.2Å; S130-S133 PolarHBondContact O-N 3.07Å; S133-K135 VanDerWaalsContact C-N 3.27Å; S133-K135 PolarHBondContact O-N 3.42Å; S133-W136 PolarHBondContact O-N 3Å; S133-E137 PolarHBondContact O-N 2.94Å
134	K	65.4	Low	55.4	Low	138 Å²	138	98.8 Å²	98.8	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-59	-36.5	174.3	-74	179.9	-180	177.2	0	112.9	S130 I132 V138	S130-K134 PolarHBondContact O-N 3.25Å; I132-K134 PolarHBondContact O-N 2.9Å; K134-V138 WeakPolarHBondContact O-CG2 3.32Å; K134-V138 PolarHBondContact O-N 3.5Å
135	K	47.8	Very low	56	Low	160 Å²	160	96.9 Å²	96.9	70%	0.696	51%	0.509	S	S	*	.	H	α-helix	trans	-75.4	-33.2	178.2	-74.6	179	178.9	-175.3	0	112.8	S131 I132 S133 V138 R139	S131-K135 WeakPolarHBondContact O-CB 3.42Å; S131-K135 VanDerWaalsContact O-CG 3.31Å; S131-K135 WeakPolarHBondContact O-CG 3.31Å; S131-K135 PolarHBondContact O-N 2.85Å; S131-K135 VanDerWaalsContact O-N 3.11Å; I132-K135 CarbonylContact O-C 3.59Å; I132-K135 WeakPolarHBondContact O-CA 3.11Å; I132-K135 PolarHBondContact O-N 2.89Å; S133-K135 VanDerWaalsContact C-N 3.27Å; S133-K135 PolarHBondContact O-N 3.42Å; K135-V138 PolarHBondContact O-N 2.95Å; K135-R139 PolarHBondContact O-N 3.39Å
136	W	56.8	Low	56.8	Low	133 Å²	133	97.1 Å²	97.1	50%	0.504	51%	0.507	S	S	.	.	H	α-helix	trans	-64.4	-42.3	171.2	-79.1	105.4	0	0	0	111.5	I132 S133 V138 R139 D140	I132-W136 PolarHBondContact O-N 3.49Å; S133-W136 PolarHBondContact O-N 3Å; W136-V138 PolarHBondContact O-N 3.47Å; W136-R139 WeakPolarHBondContact O-CA 3.2Å; W136-R139 WeakPolarHBondContact O-CB 3.49Å; W136-R139 PolarHBondContact O-N 2.89Å; W136-D140 PolarHBondContact O-N 3.34Å
137	E	64.6	Low	57.6	Low	108 Å²	108	100.3 Å²	100.3	51%	0.505	51%	0.512	S	S	.	.	H	α-helix	trans	-59.7	-36.1	175.7	-161.9	-164.2	148.1	0	0	112.2	S133 K141	S133-E137 PolarHBondContact O-N 2.94Å; E137-K141 WeakPolarHBondContact O-CG 3.25Å; E137-K141 PolarHBondContact O-N 3.41Å; E137-K141 IonicContact OE1-NZ 2.74Å; E137-K141 PolarHBondContact OE1-NZ 2.9Å
138	V	65.2	Low	58.3	Low	84 Å²	84	101.4 Å²	101.4	51%	0.509	51%	0.514	S	S	.	.	H	α-helix	trans	-71.2	-39.7	173.6	175.4	0	0	0	0	111.4	K134 K135 W136 K141 L142	K134-V138 WeakPolarHBondContact O-CG2 3.32Å; K134-V138 PolarHBondContact O-N 3.5Å; K135-V138 PolarHBondContact O-N 2.95Å; W136-V138 PolarHBondContact O-N 3.47Å; V138-K141 PolarHBondContact O-N 3.28Å; V138-L142 HydrophobicContact CG1-CD1 4.18Å; V138-L142 WeakPolarHBondContact O-CG 3.26Å; V138-L142 PolarHBondContact O-N 3.26Å; V138-L142 VanDerWaalsContact O-N 3.08Å
139	R	48.6	Very low	58.5	Low	134 Å²	134	103.7 Å²	103.7	51%	0.506	52%	0.517	S	S	.	.	H	α-helix	trans	-61.8	-47	176.6	-176.8	-168.7	170.9	-174.2	-3.8	111.3	K135 W136 K141 L142 V143	K135-R139 PolarHBondContact O-N 3.39Å; W136-R139 WeakPolarHBondContact O-CA 3.2Å; W136-R139 WeakPolarHBondContact O-CB 3.49Å; W136-R139 PolarHBondContact O-N 2.89Å; R139-K141 VanDerWaalsContact C-N 3.32Å; R139-K141 PolarHBondContact O-N 2.99Å; R139-L142 WeakPolarHBondContact O-CB 3.3Å; R139-L142 PolarHBondContact O-N 3.37Å; R139-V143 HydrophobicContact CG-CG2 4.37Å; R139-V143 WeakPolarHBondContact O-CG2 3.4Å; R139-V143 PolarHBondContact O-N 3.34Å
140	D	64.3	Low	58.9	Low	89 Å²	89	102.3 Å²	102.3	48%	0.476	51%	0.51	S	S	.	.	H	α-helix	trans	-61.7	-42.8	-178.5	-72.5	-8.9	0	0	0	110.6	W136 L142 V143 D144	W136-D140 PolarHBondContact O-N 3.34Å; D140-L142 VanDerWaalsContact C-N 3.29Å; D140-L142 PolarHBondContact O-N 2.58Å; D140-V143 PolarHBondContact O-N 3.08Å; D140-D144 PolarHBondContact O-N 3.4Å
141	K	66.4	Low	59.6	Low	125 Å²	125	105.1 Å²	105.1	54%	0.543	52%	0.516	S	S	.	.	H	α-helix	trans	-60.4	-35.2	172.8	-70.9	173.4	-171.2	167.4	0	113.3	E137 V138 R139 A145	E137-K141 WeakPolarHBondContact O-CG 3.25Å; E137-K141 PolarHBondContact O-N 3.41Å; E137-K141 IonicContact OE1-NZ 2.74Å; E137-K141 PolarHBondContact OE1-NZ 2.9Å; V138-K141 PolarHBondContact O-N 3.28Å; R139-K141 VanDerWaalsContact C-N 3.32Å; R139-K141 PolarHBondContact O-N 2.99Å; K141-A145 WeakPolarHBondContact O-CB 3.33Å; K141-A145 PolarHBondContact O-N 2.93Å; K141-A145 VanDerWaalsContact O-N 3.14Å
142	L	54.5	Low	60.3	Low	114 Å²	114	107.7 Å²	107.7	60%	0.597	52%	0.521	S	S	*	.	H	α-helix	trans	-72.8	-38.2	176.5	-74.9	170.3	0	0	0	112.2	V138 R139 D140 A145 E146	V138-L142 HydrophobicContact CG1-CD1 4.18Å; V138-L142 WeakPolarHBondContact O-CG 3.26Å; V138-L142 PolarHBondContact O-N 3.26Å; V138-L142 VanDerWaalsContact O-N 3.08Å; R139-L142 WeakPolarHBondContact O-CB 3.3Å; R139-L142 PolarHBondContact O-N 3.37Å; D140-L142 VanDerWaalsContact C-N 3.29Å; D140-L142 PolarHBondContact O-N 2.58Å; L142-A145 PolarHBondContact O-N 3.25Å; L142-E146 WeakPolarHBondContact O-CB 3.47Å; L142-E146 PolarHBondContact O-N 2.76Å
143	V	55.4	Low	60.6	Low	58 Å²	58	107 Å²	107	35%	0.352	52%	0.517	S	S	.	.	H	α-helix	trans	-65.3	-43.7	175.3	172.7	0	0	0	0	110.3	R139 D140 A145 E146 M147	R139-V143 HydrophobicContact CG-CG2 4.37Å; R139-V143 WeakPolarHBondContact O-CG2 3.4Å; R139-V143 PolarHBondContact O-N 3.34Å; D140-V143 PolarHBondContact O-N 3.08Å; V143-A145 VanDerWaalsContact C-N 3.32Å; V143-A145 PolarHBondContact O-N 3.41Å; V143-E146 PolarHBondContact O-N 3.28Å; V143-M147 HydrophobicContact CG1-CG 4.39Å; V143-M147 WeakPolarHBondContact O-CB 3.35Å; V143-M147 VanDerWaalsContact O-CG 3.29Å; V143-M147 WeakPolarHBondContact O-CG 3.48Å; V143-M147 PolarHBondContact O-N 2.92Å
144	D	69.1	Low	60.9	Low	103 Å²	103	112.4 Å²	112.4	55%	0.551	53%	0.526	S	S	*	.	H	α-helix	trans	-60.4	-42.3	175.7	-72.9	-18	0	0	0	111.7	D140 M147 Q148	D140-D144 PolarHBondContact O-N 3.4Å; D144-M147 PolarHBondContact O-N 3.41Å; D144-Q148 WeakPolarHBondContact O-CG 3.28Å; D144-Q148 PolarHBondContact O-N 3.22Å
145	A	61.5	Low	60.7	Low	51 Å²	51	112 Å²	112	42%	0.421	53%	0.53	S	S	.	.	H	α-helix	trans	-66.1	-39.7	176.2	0	0	0	0	0	112.7	K141 L142 V143 Q148 Y149	K141-A145 WeakPolarHBondContact O-CB 3.33Å; K141-A145 PolarHBondContact O-N 2.93Å; K141-A145 VanDerWaalsContact O-N 3.14Å; L142-A145 PolarHBondContact O-N 3.25Å; V143-A145 VanDerWaalsContact C-N 3.32Å; V143-A145 PolarHBondContact O-N 3.41Å; A145-Q148 PolarHBondContact O-N 3.14Å; A145-Y149 WeakPolarHBondContact O-CB 3.39Å; A145-Y149 PolarHBondContact O-N 3.35Å
146	E	60.4	Low	61.2	Low	121 Å²	121	111 Å²	111	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-64.9	-41.4	175	-175	174.6	-157	0	0	111.3	L142 V143 Y149 L150	L142-E146 WeakPolarHBondContact O-CB 3.47Å; L142-E146 PolarHBondContact O-N 2.76Å; V143-E146 PolarHBondContact O-N 3.28Å; E146-Y149 PolarHBondContact O-N 3.09Å; E146-L150 HydrophobicContact CG-CD1 4.26Å; E146-L150 WeakPolarHBondContact O-CB 3.46Å; E146-L150 VanDerWaalsContact O-CG 3.32Å; E146-L150 WeakPolarHBondContact O-CG 3.31Å; E146-L150 PolarHBondContact O-N 3.46Å
147	M	66.5	Low	60.7	Low	109 Å²	109	114.2 Å²	114.2	54%	0.537	54%	0.543	S	S	.	.	H	α-helix	trans	-63.9	-44.4	176.6	-71.8	-62	-64.3	0	0	111.9	V143 D144 Y149 L150 E151	V143-M147 HydrophobicContact CG1-CG 4.39Å; V143-M147 WeakPolarHBondContact O-CB 3.35Å; V143-M147 VanDerWaalsContact O-CG 3.29Å; V143-M147 WeakPolarHBondContact O-CG 3.48Å; V143-M147 PolarHBondContact O-N 2.92Å; D144-M147 PolarHBondContact O-N 3.41Å; M147-Y149 VanDerWaalsContact C-N 3.33Å; M147-Y149 PolarHBondContact O-N 3.22Å; M147-L150 PolarHBondContact O-N 3Å; M147-E151 WeakPolarHBondContact O-CB 3.23Å; M147-E151 PolarHBondContact O-N 3.11Å
148	Q	71.7	Confident	59.6	Low	132 Å²	132	117.2 Å²	117.2	62%	0.617	56%	0.557	S	S	*	*	H	α-helix	trans	-58.7	-44.7	173.9	-76.2	178.9	-2.8	0	0	111.7	D144 A145 E151 E152	D144-Q148 WeakPolarHBondContact O-CG 3.28Å; D144-Q148 PolarHBondContact O-N 3.22Å; A145-Q148 PolarHBondContact O-N 3.14Å; Q148-E151 PolarHBondContact O-N 3.41Å; Q148-E152 WeakPolarHBondContact O-CG 3.41Å; Q148-E152 PolarHBondContact O-N 3.15Å
149	Y	51.3	Low	58.3	Low	144 Å²	144	118.5 Å²	118.5	57%	0.565	57%	0.567	S	S	*	*	H	α-helix	trans	-64.3	-40.8	177.5	179.1	-106.3	0	0	0	112.7	A145 E146 M147 E151 E152 I153	A145-Y149 WeakPolarHBondContact O-CB 3.39Å; A145-Y149 PolarHBondContact O-N 3.35Å; E146-Y149 PolarHBondContact O-N 3.09Å; M147-Y149 VanDerWaalsContact C-N 3.33Å; M147-Y149 PolarHBondContact O-N 3.22Å; Y149-E151 VanDerWaalsContact C-N 3.32Å; Y149-E151 PolarHBondContact O-N 3.26Å; Y149-E152 PolarHBondContact O-N 3.35Å; Y149-I153 HydrophobicContact CD1-CD1 3.86Å; Y149-I153 HydrophobicContact CE1-CD1 3.26Å; Y149-I153 HydrophobicContact CE1-CG1 4.29Å; Y149-I153 HydrophobicContact CE2-CD1 4.19Å; Y149-I153 VanDerWaalsContact CZ-CD1 3.47Å; Y149-I153 WeakPolarHBondContact O-CG1 3.25Å; Y149-I153 PolarHBondContact O-N 3.45Å
150	L	56.8	Low	58.1	Low	73 Å²	73	117.1 Å²	117.1	38%	0.382	57%	0.57	S	S	.	*	H	α-helix	trans	-66.1	-35.4	175.2	-72.8	174.1	0	0	0	112.1	E146 M147 I153 R154	E146-L150 HydrophobicContact CG-CD1 4.26Å; E146-L150 WeakPolarHBondContact O-CB 3.46Å; E146-L150 VanDerWaalsContact O-CG 3.32Å; E146-L150 WeakPolarHBondContact O-CG 3.31Å; E146-L150 PolarHBondContact O-N 3.46Å; M147-L150 PolarHBondContact O-N 3Å; L150-I153 PolarHBondContact O-N 2.92Å; L150-R154 WeakPolarHBondContact O-CB 3.43Å; L150-R154 WeakPolarHBondContact O-CG 3.43Å; L150-R154 PolarHBondContact O-N 3.21Å
151	E	69.9	Low	57.4	Low	120 Å²	120	118.8 Å²	118.8	56%	0.561	59%	0.586	S	S	*	*	H	α-helix	trans	-69.6	-40.7	176.3	-162.1	150.6	-153.2	0	0	111.4	M147 Q148 Y149 I153 R154 N155	M147-E151 WeakPolarHBondContact O-CB 3.23Å; M147-E151 PolarHBondContact O-N 3.11Å; Q148-E151 PolarHBondContact O-N 3.41Å; Y149-E151 VanDerWaalsContact C-N 3.32Å; Y149-E151 PolarHBondContact O-N 3.26Å; E151-I153 PolarHBondContact O-N 2.94Å; E151-R154 PolarHBondContact O-N 2.89Å; E151-N155 VanDerWaalsContact O-CG 3.23Å; E151-N155 PolarHBondContact O-N 3.09Å; E151-N155 PolarHBondContact O-ND2 2.91Å
152	E	68.8	Low	56.6	Low	120 Å²	120	119.2 Å²	119.2	56%	0.561	59%	0.594	S	S	*	*	H	α-helix	trans	-58.7	-46	169.3	-74.8	-179	179.8	0	0	111.9	Q148 Y149 R154 N155 I156	Q148-E152 WeakPolarHBondContact O-CG 3.41Å; Q148-E152 PolarHBondContact O-N 3.15Å; Y149-E152 PolarHBondContact O-N 3.35Å; E152-R154 PolarHBondContact O-N 3.36Å; E152-N155 PolarHBondContact O-N 3.04Å; E152-I156 WeakPolarHBondContact O-CD1 3.41Å; E152-I156 VanDerWaalsContact O-CG1 3.26Å; E152-I156 WeakPolarHBondContact O-CG1 3.32Å; E152-I156 PolarHBondContact O-N 3.23Å; E152-I156 VanDerWaalsContact O-N 3.11Å
153	I	54.5	Low	55.8	Low	55 Å²	55	118 Å²	118	28%	0.282	59%	0.594	S	S	.	*	H	α-helix	trans	-63.1	-41.5	176.7	-72.4	176.8	0	0	0	111.5	Y149 L150 E151 N155 I156 R157	Y149-I153 HydrophobicContact CD1-CD1 3.86Å; Y149-I153 HydrophobicContact CE1-CD1 3.26Å; Y149-I153 HydrophobicContact CE1-CG1 4.29Å; Y149-I153 HydrophobicContact CE2-CD1 4.19Å; Y149-I153 VanDerWaalsContact CZ-CD1 3.47Å; Y149-I153 WeakPolarHBondContact O-CG1 3.25Å; Y149-I153 PolarHBondContact O-N 3.45Å; L150-I153 PolarHBondContact O-N 2.92Å; E151-I153 PolarHBondContact O-N 2.94Å; I153-N155 VanDerWaalsContact C-N 3.32Å; I153-N155 PolarHBondContact O-N 2.89Å; I153-I156 PolarHBondContact O-N 3.04Å; I153-R157 WeakPolarHBondContact O-CB 3.47Å; I153-R157 PolarHBondContact O-N 3.01Å; I153-R157 VanDerWaalsContact O-N 3.09Å
154	R	58.7	Low	54.8	Low	190 Å²	190	120.9 Å²	120.9	72%	0.717	62%	0.615	S	S	*	*	H	α-helix	trans	-62.1	-42	178	-80.7	-179.4	-173.1	-177.1	4.5	111.3	L150 E151 E152 I156 R157 E158	L150-R154 WeakPolarHBondContact O-CB 3.43Å; L150-R154 WeakPolarHBondContact O-CG 3.43Å; L150-R154 PolarHBondContact O-N 3.21Å; E151-R154 PolarHBondContact O-N 2.89Å; E152-R154 PolarHBondContact O-N 3.36Å; R154-I156 PolarHBondContact O-N 3Å; R154-R157 PolarHBondContact O-N 3.3Å; R154-R157 VanDerWaalsContact O-N 3.09Å; R154-E158 PolarHBondContact O-N 3.24Å
155	N	61.7	Low	53.3	Low	129 Å²	129	122.9 Å²	122.9	69%	0.69	63%	0.625	S	S	*	*	H	α-helix	trans	-67.3	-24.7	177.5	-67.2	-22.2	0	0	0	112.7	E151 E152 I153	E151-N155 VanDerWaalsContact O-CG 3.23Å; E151-N155 PolarHBondContact O-N 3.09Å; E151-N155 PolarHBondContact O-ND2 2.91Å; E152-N155 PolarHBondContact O-N 3.04Å; I153-N155 VanDerWaalsContact C-N 3.32Å; I153-N155 PolarHBondContact O-N 2.89Å
156	I	59.2	Low	52.1	Low	140 Å²	140	126.8 Å²	126.8	72%	0.718	64%	0.644	S	S	*	*	H	α-helix	trans	-83.9	-17.7	174.3	-64.1	163.9	0	0	0	112.1	E152 I153 R154	E152-I156 WeakPolarHBondContact O-CD1 3.41Å; E152-I156 VanDerWaalsContact O-CG1 3.26Å; E152-I156 WeakPolarHBondContact O-CG1 3.32Å; E152-I156 PolarHBondContact O-N 3.23Å; E152-I156 VanDerWaalsContact O-N 3.11Å; I153-I156 PolarHBondContact O-N 3.04Å; R154-I156 PolarHBondContact O-N 3Å
157	R	45.5	Very low	50.8	Low	199 Å²	199	134.3 Å²	134.3	75%	0.751	67%	0.674	S	S	*	*			trans	-115.6	26.3	-171.6	-92.4	-168.3	-175.8	-168.1	3.6	115.5	I153 R154 P159	I153-R157 WeakPolarHBondContact O-CB 3.47Å; I153-R157 PolarHBondContact O-N 3.01Å; I153-R157 VanDerWaalsContact O-N 3.09Å; R154-R157 PolarHBondContact O-N 3.3Å; R154-R157 VanDerWaalsContact O-N 3.09Å; R157-P159 WeakPolarHBondContact O-CD 3.4Å
158	E	41.2	Very low	50.1	Low	171 Å²	171	135.6 Å²	135.6	80%	0.799	68%	0.681	S	S	*	*			trans	-59.4	114.6	154.9	-75.2	-164.1	164.3	0	0	107.8	R154 N160	R154-E158 PolarHBondContact O-N 3.24Å; E158-N160 PolarHBondContact O-N 2.82Å
159	P	38.3	Very low	48.9	Very low	112 Å²	112	135.7 Å²	135.7	73%	0.727	69%	0.685	S	S	*	*			trans	-64.6	112.6	175.5	26.5	-28.6	0	0	0	105.5	R157 P161	R157-P159 WeakPolarHBondContact O-CD 3.4Å; P159-P161 WeakPolarHBondContact O-CD 3.31Å
160	N	44.5	Very low	48.8	Very low	104 Å²	104	135.3 Å²	135.3	56%	0.556	69%	0.691	S	S	*	*			trans	-51.5	110.8	170.8	178.7	-4.4	0	0	0	107.3	E158 N162 C163	E158-N160 PolarHBondContact O-N 2.82Å; N160-N162 PolarHBondContact O-N 3.17Å; N160-N162 WeakPolarHBondContact OD1-CB 3.3Å; N160-N162 PolarHBondContact OD1-N 3.07Å; N160-C163 HydrophobicContact CB-CB 4.35Å; N160-C163 PolarHBondContact O-N 3.43Å; N160-C163 VanDerWaalsContact O-N 3.12Å
161	P	50.7	Low	48.3	Very low	124 Å²	124	138.9 Å²	138.9	81%	0.805	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-11.3	-176.2	-19.1	31.8	0	0	0	112.4	P159	P159-P161 WeakPolarHBondContact O-CD 3.31Å
162	N	49	Very low	47	Very low	135 Å²	135	140.1 Å²	140.1	72%	0.722	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	15.5	-178	-68.6	-28.3	0	0	0	113.8	N160 C164	N160-N162 PolarHBondContact O-N 3.17Å; N160-N162 WeakPolarHBondContact OD1-CB 3.3Å; N160-N162 PolarHBondContact OD1-N 3.07Å; N162-C164 PolarHBondContact O-N 3.36Å
163	C	37.2	Very low	45.5	Very low	89 Å²	89	141.5 Å²	141.5	60%	0.601	73%	0.729	S	S	*	*			trans	-78.1	70.9	172	-143.2	0	0	0	0	111	N160 L165	N160-C163 HydrophobicContact CB-CB 4.35Å; N160-C163 PolarHBondContact O-N 3.43Å; N160-C163 VanDerWaalsContact O-N 3.12Å; C163-L165 PolarHBondContact O-N 2.83Å
164	C	35.2	Very low	44.9	Very low	117 Å²	117	147.6 Å²	147.6	79%	0.791	76%	0.761	S	S	*	*			trans	-82.4	80.2	165.3	-68.3	0	0	0	0	109.4	N162	N162-C164 PolarHBondContact O-N 3.36Å
165	L	36.3	Very low	43.8	Very low	145 Å²	145	144.4 Å²	144.4	76%	0.759	77%	0.765	S	S	*	*			trans	-143.8	113.7	163	-68.1	172.6	0	0	0	103.9	C163	C163-L165 PolarHBondContact O-N 2.83Å
166	V	36.9	Very low	42.3	Very low	134 Å²	134	145.7 Å²	145.7	81%	0.812	77%	0.771	S	S	*	*				-160.6	136.1	56.6	173.1	0	0	0	0	106.7
167	K	34	Very low	40.8	Very low	278 Å²	278	146.2 Å²	146.2	100%	1.209	78%	0.776	S	S	*	*			trans	9.4	0	168.2	-72.8	-176	176.1	180	0	119.1

Retrieved 167 of 167 residues in 32.5 ms (Link to these results)

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