G4VM28_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VM28, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 147 aa.

						>G4VM28_SCHMA|G4VM28
MFRENEMLLKSQISTMGQNLVKKHRAITQYLKCKSKQQQEETFNLFIKEMNKQFKNNNLTSFTDYSTVKDCFIKEEKIFERKKSSKNNEDCTLSETFPEEDIKALDQLISKKYDILWRWNKALFNYEFASRNIKSTVYFLQKMYNLG
					

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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	53.3	Low	44.2	Very low	185 Å²	185	127.3 Å²	127.3	91%	0.911	61%	0.607	S	S	*	*				0	-67.8	0	-72.7	-165.2	-98.2	0	0	115.1	R3 E4 N5	M1-R3 PolarHBondContact O-N 3.09Å; M1-E4 WeakPolarHBondContact CA-OE2 3.38Å; M1-E4 PolarHBondContact N-OE2 2.77Å; M1-E4 PolarHBondContact O-N 3.47Å; M1-N5 PolarHBondContact O-N 3.42Å
2	F	43.9	Very low	44.2	Very low	177 Å²	177	125.1 Å²	125.1	78%	0.776	60%	0.596	S	S	*	*	H	α-helix	trans	-65.6	-41.8	-177.6	-159.2	-92.9	0	0	0	114	E4 N5 E6	F2-E4 PolarHBondContact O-N 2.59Å; F2-N5 PolarHBondContact O-N 3.33Å; F2-E6 PolarHBondContact O-N 3.16Å
3	R	43.1	Very low	43.9	Very low	213 Å²	213	119.3 Å²	119.3	80%	0.804	57%	0.57	S	S	*	*	H	α-helix	trans	-63.8	-34.8	176.3	-83.8	-174.9	175.8	159.7	-0.5	113.9	M1 M7	M1-R3 PolarHBondContact O-N 3.09Å; R3-M7 WeakPolarHBondContact O-CB 3.13Å; R3-M7 PolarHBondContact O-N 3.35Å
4	E	42.3	Very low	43.9	Very low	125 Å²	125	115.1 Å²	115.1	58%	0.584	56%	0.559	S	S	*	*	H	α-helix	trans	-70.9	-42.1	179.1	-71	155.1	149.9	0	0	110.9	M1 F2 E6 M7 L8	M1-E4 WeakPolarHBondContact CA-OE2 3.38Å; M1-E4 PolarHBondContact N-OE2 2.77Å; M1-E4 PolarHBondContact O-N 3.47Å; F2-E4 PolarHBondContact O-N 2.59Å; E4-E6 PolarHBondContact O-N 3.44Å; E4-M7 PolarHBondContact O-N 2.64Å; E4-L8 WeakPolarHBondContact O-CB 3.22Å; E4-L8 PolarHBondContact O-N 3.4Å
5	N	38.7	Very low	44.2	Very low	110 Å²	110	111.7 Å²	111.7	59%	0.588	55%	0.548	S	S	*	.	H	α-helix	trans	-63.8	-40.3	174.9	-72.6	-12	0	0	0	111.9	M1 F2 L8 L9	M1-N5 PolarHBondContact O-N 3.42Å; F2-N5 PolarHBondContact O-N 3.33Å; N5-L8 PolarHBondContact O-N 3.16Å; N5-L9 VanDerWaalsContact O-CB 3.31Å; N5-L9 WeakPolarHBondContact O-CB 3.44Å; N5-L9 PolarHBondContact O-N 3.44Å
6	E	38.7	Very low	44.4	Very low	83 Å²	83	108.7 Å²	108.7	39%	0.388	53%	0.534	S	S	.	.	H	α-helix	trans	-63.9	-41.1	175.3	-167.2	-167.9	155.2	0	0	112	F2 E4 L9 K10	F2-E6 PolarHBondContact O-N 3.16Å; E4-E6 PolarHBondContact O-N 3.44Å; E6-L9 PolarHBondContact O-N 3Å; E6-K10 HydrophobicContact CG-CD 4.43Å; E6-K10 WeakPolarHBondContact O-CB 3.43Å; E6-K10 WeakPolarHBondContact O-CG 3.32Å; E6-K10 PolarHBondContact O-N 3.14Å; E6-K10 WeakPolarHBondContact OE1-CE 3.38Å; E6-K10 IonicContact OE1-NZ 2.69Å; E6-K10 PolarHBondContact OE1-NZ 3.48Å
7	M	49.8	Very low	44.4	Very low	143 Å²	143	102.7 Å²	102.7	70%	0.704	51%	0.506	S	S	*	.	H	α-helix	trans	-68.7	-40.9	177.9	-167.4	177.9	-70.2	0	0	111.9	R3 E4 K10 S11	R3-M7 WeakPolarHBondContact O-CB 3.13Å; R3-M7 PolarHBondContact O-N 3.35Å; E4-M7 PolarHBondContact O-N 2.64Å; M7-K10 PolarHBondContact O-N 3.25Å; M7-S11 WeakPolarHBondContact O-CB 3.28Å; M7-S11 PolarHBondContact O-N 2.91Å
8	L	45	Very low	44.6	Very low	106 Å²	106	103.2 Å²	103.2	56%	0.555	51%	0.507	S	S	*	.	H	α-helix	trans	-61.6	-45.9	174.7	-163.5	98.8	0	0	0	110.8	E4 N5 S11 Q12	E4-L8 WeakPolarHBondContact O-CB 3.22Å; E4-L8 PolarHBondContact O-N 3.4Å; N5-L8 PolarHBondContact O-N 3.16Å; L8-S11 PolarHBondContact O-N 3.31Å; L8-Q12 WeakPolarHBondContact O-CG 3.24Å; L8-Q12 PolarHBondContact O-N 3.11Å
9	L	41.8	Very low	44.9	Very low	67 Å²	67	101.7 Å²	101.7	35%	0.351	50%	0.502	S	S	.	.	H	α-helix	trans	-59.5	-55	175.9	-166.1	74.4	0	0	0	109.5	N5 E6 S11 Q12 I13 Y144	N5-L9 VanDerWaalsContact O-CB 3.31Å; N5-L9 WeakPolarHBondContact O-CB 3.44Å; N5-L9 PolarHBondContact O-N 3.44Å; E6-L9 PolarHBondContact O-N 3Å; L9-S11 VanDerWaalsContact C-N 3.25Å; L9-S11 PolarHBondContact O-N 3.45Å; L9-Q12 PolarHBondContact O-N 3.44Å; L9-I13 HydrophobicContact CG-CD1 4.28Å; L9-I13 HydrophobicContact CG-CG1 4.39Å; L9-I13 VanDerWaalsContact O-CG1 3.23Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 PolarHBondContact O-N 3.08Å; L9-Y144 HydrophobicContact CD1-CE2 4.48Å; L9-Y144 HydrophobicContact CD2-CD2 4.43Å; L9-Y144 HydrophobicContact CD2-CE2 4.11Å
10	K	43.5	Very low	45.1	Very low	120 Å²	120	98 Å²	98	52%	0.522	48%	0.484	S	S	.	.	H	α-helix	trans	-53.1	-39.7	177.4	-79.9	172.6	170.4	166.8	0	113.3	E6 M7 I13 S14	E6-K10 HydrophobicContact CG-CD 4.43Å; E6-K10 WeakPolarHBondContact O-CB 3.43Å; E6-K10 WeakPolarHBondContact O-CG 3.32Å; E6-K10 PolarHBondContact O-N 3.14Å; E6-K10 WeakPolarHBondContact OE1-CE 3.38Å; E6-K10 IonicContact OE1-NZ 2.69Å; E6-K10 PolarHBondContact OE1-NZ 3.48Å; M7-K10 PolarHBondContact O-N 3.25Å; K10-I13 PolarHBondContact O-N 2.98Å; K10-S14 WeakPolarHBondContact O-CB 3.27Å; K10-S14 PolarHBondContact O-N 3.11Å
11	S	46.5	Very low	45.3	Very low	71 Å²	71	96.3 Å²	96.3	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-66.3	-46	176.7	-177.4	0	0	0	0	112.4	M7 L8 L9 I13 S14 T15	M7-S11 WeakPolarHBondContact O-CB 3.28Å; M7-S11 PolarHBondContact O-N 2.91Å; L8-S11 PolarHBondContact O-N 3.31Å; L9-S11 VanDerWaalsContact C-N 3.25Å; L9-S11 PolarHBondContact O-N 3.45Å; S11-I13 VanDerWaalsContact C-N 3.27Å; S11-I13 PolarHBondContact O-N 3.26Å; S11-S14 PolarHBondContact O-N 3.43Å; S11-T15 WeakPolarHBondContact O-CB 3.36Å; S11-T15 PolarHBondContact O-N 3.38Å; S11-T15 PolarHBondContact O-OG1 3.01Å
12	Q	43.7	Very low	45.2	Very low	101 Å²	101	94.1 Å²	94.1	47%	0.472	46%	0.464	S	S	.	.	H	α-helix	trans	-61.2	-39	173.5	-71	178.3	-13.9	0	0	111.1	L8 L9 T15 M16	L8-Q12 WeakPolarHBondContact O-CG 3.24Å; L8-Q12 PolarHBondContact O-N 3.11Å; L9-Q12 PolarHBondContact O-N 3.44Å; Q12-T15 PolarHBondContact O-N 3.4Å; Q12-M16 VanDerWaalsContact O-CB 3.32Å; Q12-M16 WeakPolarHBondContact O-CB 3.43Å; Q12-M16 VanDerWaalsContact O-CG 3.23Å; Q12-M16 WeakPolarHBondContact O-CG 3.47Å; Q12-M16 PolarHBondContact O-N 3.23Å
13	I	40.4	Very low	45.5	Very low	50 Å²	50	88.1 Å²	88.1	26%	0.256	44%	0.438	S	S	.	.	H	α-helix	trans	-62.1	-49.9	174.8	-58.8	-164.9	0	0	0	112.1	L9 K10 S11 T15 M16 G17 W119	L9-I13 HydrophobicContact CG-CD1 4.28Å; L9-I13 HydrophobicContact CG-CG1 4.39Å; L9-I13 VanDerWaalsContact O-CG1 3.23Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 PolarHBondContact O-N 3.08Å; K10-I13 PolarHBondContact O-N 2.98Å; S11-I13 VanDerWaalsContact C-N 3.27Å; S11-I13 PolarHBondContact O-N 3.26Å; I13-T15 VanDerWaalsContact C-N 3.31Å; I13-T15 PolarHBondContact O-N 2.96Å; I13-M16 PolarHBondContact O-N 2.79Å; I13-G17 PolarHBondContact O-N 3.06Å; I13-W119 HydrophobicContact CB-CH2 3.32Å; I13-W119 HydrophobicContact CB-CZ2 3.91Å; I13-W119 HydrophobicContact CB-CZ3 3.67Å; I13-W119 HydrophobicContact CD1-CH2 3.98Å; I13-W119 HydrophobicContact CD1-CZ2 3.58Å; I13-W119 HydrophobicContact CG1-CH2 3.22Å; I13-W119 HydrophobicContact CG1-CZ2 3.34Å; I13-W119 HydrophobicContact CG1-CZ3 4.09Å; I13-W119 HydrophobicContact CG2-CD2 4.44Å; I13-W119 HydrophobicContact CG2-CE3 3.84Å; I13-W119 HydrophobicContact CG2-CH2 3.38Å; I13-W119 HydrophobicContact CG2-CZ2 3.82Å; I13-W119 HydrophobicContact CG2-CZ3 3.29Å; I13-W119 WeakPolarHBondContact O-CZ3 3.47Å
14	S	44.2	Very low	45.9	Very low	60 Å²	60	79.6 Å²	79.6	42%	0.42	41%	0.407	S	S	.	.	H	α-helix	trans	-59.5	-44.6	176.8	-173.9	0	0	0	0	111.6	K10 S11 G17 Q18	K10-S14 WeakPolarHBondContact O-CB 3.27Å; K10-S14 PolarHBondContact O-N 3.11Å; S11-S14 PolarHBondContact O-N 3.43Å; S14-G17 PolarHBondContact O-N 3.49Å; S14-Q18 WeakPolarHBondContact O-CB 3.14Å; S14-Q18 VanDerWaalsContact O-CG 3.24Å; S14-Q18 WeakPolarHBondContact O-CG 3.44Å; S14-Q18 PolarHBondContact O-N 2.76Å; S14-Q18 PolarHBondContact OG-NE2 2.99Å
15	T	48.5	Very low	46.4	Very low	65 Å²	65	80.8 Å²	80.8	40%	0.399	41%	0.406	S	S	.	.	H	α-helix	trans	-65.6	-44.7	-177.9	-56.5	0	0	0	0	111.5	S11 Q12 I13 Q18 N19	S11-T15 WeakPolarHBondContact O-CB 3.36Å; S11-T15 PolarHBondContact O-N 3.38Å; S11-T15 PolarHBondContact O-OG1 3.01Å; Q12-T15 PolarHBondContact O-N 3.4Å; I13-T15 VanDerWaalsContact C-N 3.31Å; I13-T15 PolarHBondContact O-N 2.96Å; T15-Q18 PolarHBondContact O-N 3.33Å; T15-N19 WeakPolarHBondContact O-CB 3.34Å; T15-N19 VanDerWaalsContact O-CG 3.25Å; T15-N19 PolarHBondContact O-N 3.48Å; T15-N19 PolarHBondContact O-ND2 3.34Å
16	M	46.9	Very low	47.1	Very low	63 Å²	63	77 Å²	77	31%	0.31	39%	0.39	S	S	.	.	H	α-helix	trans	-64.6	-43.4	176.1	-73	176.3	64	0	0	111.5	Q12 I13 N19 L20 L116 W119	Q12-M16 VanDerWaalsContact O-CB 3.32Å; Q12-M16 WeakPolarHBondContact O-CB 3.43Å; Q12-M16 VanDerWaalsContact O-CG 3.23Å; Q12-M16 WeakPolarHBondContact O-CG 3.47Å; Q12-M16 PolarHBondContact O-N 3.23Å; I13-M16 PolarHBondContact O-N 2.79Å; M16-N19 PolarHBondContact O-N 3.25Å; M16-L20 WeakPolarHBondContact O-CB 3.26Å; M16-L20 WeakPolarHBondContact O-CG 3.22Å; M16-L20 PolarHBondContact O-N 3.12Å; M16-L116 HydrophobicContact CE-CD2 3.6Å; M16-L116 HydrophobicContact CE-CG 4.38Å; M16-W119 HydrophobicContact CB-CH2 4.24Å; M16-W119 HydrophobicContact CB-CZ3 3.85Å; M16-W119 HydrophobicContact SD-CH2 4.24Å
17	G	44.2	Very low	47.6	Very low	7 Å²	7	75.7 Å²	75.7	7%	0.072	39%	0.385	C	S	.	.	H	α-helix	trans	-60.5	-45	175	0	0	0	0	0	112.5	I13 S14 L20 V21	I13-G17 PolarHBondContact O-N 3.06Å; S14-G17 PolarHBondContact O-N 3.49Å; G17-L20 PolarHBondContact O-N 3.15Å; G17-V21 VanDerWaalsContact O-CG2 3.31Å; G17-V21 WeakPolarHBondContact O-CG2 3.47Å; G17-V21 PolarHBondContact O-N 2.9Å
18	Q	47.8	Very low	47.7	Very low	111 Å²	111	70 Å²	70	52%	0.519	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-42.1	176	-73.9	174.7	6.4	0	0	112.3	S14 T15 V21 K22	S14-Q18 WeakPolarHBondContact O-CB 3.14Å; S14-Q18 VanDerWaalsContact O-CG 3.24Å; S14-Q18 WeakPolarHBondContact O-CG 3.44Å; S14-Q18 PolarHBondContact O-N 2.76Å; S14-Q18 PolarHBondContact OG-NE2 2.99Å; T15-Q18 PolarHBondContact O-N 3.33Å; Q18-V21 PolarHBondContact O-N 2.98Å; Q18-K22 WeakPolarHBondContact O-CG 3.49Å; Q18-K22 PolarHBondContact O-N 2.84Å
19	N	51.3	Low	48.1	Very low	76 Å²	76	70.2 Å²	70.2	41%	0.406	36%	0.356	S	S	.	.	H	α-helix	trans	-65.5	-39.5	177	-74.5	-15.7	0	0	0	111.9	T15 M16 K22 K23	T15-N19 WeakPolarHBondContact O-CB 3.34Å; T15-N19 VanDerWaalsContact O-CG 3.25Å; T15-N19 PolarHBondContact O-N 3.48Å; T15-N19 PolarHBondContact O-ND2 3.34Å; M16-N19 PolarHBondContact O-N 3.25Å; N19-K22 PolarHBondContact O-N 2.81Å; N19-K23 WeakPolarHBondContact O-CB 3.48Å; N19-K23 VanDerWaalsContact O-CG 3.31Å; N19-K23 WeakPolarHBondContact O-CG 3.5Å; N19-K23 PolarHBondContact O-N 3.17Å
20	L	48.1	Very low	48.6	Very low	27 Å²	27	71.4 Å²	71.4	14%	0.141	36%	0.357	C	S	.	.	H	α-helix	trans	-62.7	-45	173	-75.2	172.2	0	0	0	111.6	M16 G17 K22 K23 H24 L116	M16-L20 WeakPolarHBondContact O-CB 3.26Å; M16-L20 WeakPolarHBondContact O-CG 3.22Å; M16-L20 PolarHBondContact O-N 3.12Å; G17-L20 PolarHBondContact O-N 3.15Å; L20-K22 VanDerWaalsContact C-N 3.35Å; L20-K22 PolarHBondContact O-N 3.17Å; L20-K23 PolarHBondContact O-N 3.1Å; L20-H24 VanDerWaalsContact O-CB 3.28Å; L20-H24 WeakPolarHBondContact O-CB 3.48Å; L20-H24 PolarHBondContact O-N 2.89Å; L20-L116 HydrophobicContact CD1-CD2 3.63Å; L20-L116 HydrophobicContact CD2-CD2 4.09Å; L20-L116 HydrophobicContact CG-CD2 4.09Å
21	V	48.7	Very low	48.9	Very low	62 Å²	62	66.1 Å²	66.1	38%	0.376	33%	0.334	S	S	.	.	H	α-helix	trans	-62.9	-41.5	177	171.4	0	0	0	0	111.1	G17 Q18 H24 R25	G17-V21 VanDerWaalsContact O-CG2 3.31Å; G17-V21 WeakPolarHBondContact O-CG2 3.47Å; G17-V21 PolarHBondContact O-N 2.9Å; Q18-V21 PolarHBondContact O-N 2.98Å; V21-H24 PolarHBondContact O-N 3.37Å; V21-R25 HydrophobicContact CG1-CG 4.49Å; V21-R25 WeakPolarHBondContact O-CB 3.05Å; V21-R25 VanDerWaalsContact O-CG 3.29Å; V21-R25 WeakPolarHBondContact O-CG 3.37Å; V21-R25 PolarHBondContact O-N 3.22Å
22	K	52.4	Low	49.4	Very low	139 Å²	139	66.4 Å²	66.4	60%	0.604	33%	0.327	S	S	*	.	H	α-helix	trans	-60.4	-47.7	174.5	-75.7	179.4	179.2	-176.6	0	111.5	Q18 N19 L20 R25 A26	Q18-K22 WeakPolarHBondContact O-CG 3.49Å; Q18-K22 PolarHBondContact O-N 2.84Å; N19-K22 PolarHBondContact O-N 2.81Å; L20-K22 VanDerWaalsContact C-N 3.35Å; L20-K22 PolarHBondContact O-N 3.17Å; K22-R25 PolarHBondContact O-N 2.94Å; K22-A26 PolarHBondContact O-N 3.48Å
23	K	50.4	Low	50	Low	51 Å²	51	63.6 Å²	63.6	22%	0.222	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-41.3	177.1	-72.9	179.8	170.6	-157.8	0	112.1	N19 L20 A26 I27 L105	N19-K23 WeakPolarHBondContact O-CB 3.48Å; N19-K23 VanDerWaalsContact O-CG 3.31Å; N19-K23 WeakPolarHBondContact O-CG 3.5Å; N19-K23 PolarHBondContact O-N 3.17Å; L20-K23 PolarHBondContact O-N 3.1Å; K23-A26 PolarHBondContact O-N 3.25Å; K23-I27 WeakPolarHBondContact O-CG1 3.39Å; K23-I27 PolarHBondContact O-N 2.88Å; K23-L105 HydrophobicContact CD-CD1 3.56Å
24	H	51.5	Low	50.6	Low	34 Å²	34	64.4 Å²	64.4	16%	0.157	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-43.5	174.5	-177.4	65.8	0	0	0	111.9	L20 V21 I27 T28 F72 E75	L20-H24 VanDerWaalsContact O-CB 3.28Å; L20-H24 WeakPolarHBondContact O-CB 3.48Å; L20-H24 PolarHBondContact O-N 2.89Å; V21-H24 PolarHBondContact O-N 3.37Å; H24-I27 PolarHBondContact O-N 2.85Å; H24-T28 VanDerWaalsContact O-CB 3.3Å; H24-T28 WeakPolarHBondContact O-CB 3.26Å; H24-T28 PolarHBondContact O-N 3.45Å; H24-T28 PolarHBondContact O-OG1 3.45Å; H24-F72 AromaticContact CE1-CE1 3.8Å; H24-E75 IonicContact CD2-OE2 3.04Å; H24-E75 IonicContact CE1-OE2 3.01Å; H24-E75 PolarHBondContact CE1-OE2 3.38Å; H24-E75 VanDerWaalsContact CE1-OE2 3.29Å; H24-E75 IonicContact NE2-OE1 3.36Å; H24-E75 IonicContact NE2-OE2 3.35Å; H24-E75 PolarHBondContact NE2-OE2 3.04Å
25	R	52.8	Low	51.5	Low	151 Å²	151	64.4 Å²	64.4	57%	0.57	32%	0.319	S	S	*	.	H	α-helix	trans	-61.2	-44.9	173.9	-76.2	177.7	-178.1	-172	1.9	111.5	V21 K22 T28 Q29	V21-R25 HydrophobicContact CG1-CG 4.49Å; V21-R25 WeakPolarHBondContact O-CB 3.05Å; V21-R25 VanDerWaalsContact O-CG 3.29Å; V21-R25 WeakPolarHBondContact O-CG 3.37Å; V21-R25 PolarHBondContact O-N 3.22Å; K22-R25 PolarHBondContact O-N 2.94Å; R25-T28 PolarHBondContact O-N 2.71Å; R25-Q29 WeakPolarHBondContact O-CB 3.28Å; R25-Q29 WeakPolarHBondContact O-CG 3.35Å; R25-Q29 PolarHBondContact O-N 2.9Å
26	A	52	Low	52	Low	29 Å²	29	69.8 Å²	69.8	24%	0.24	34%	0.337	C	S	.	.	H	α-helix	trans	-61.8	-46	177.3	0	0	0	0	0	111.8	K22 K23 T28 Q29 Y30 F97	K22-A26 PolarHBondContact O-N 3.48Å; K23-A26 PolarHBondContact O-N 3.25Å; A26-T28 PolarHBondContact O-N 3.45Å; A26-Q29 PolarHBondContact O-N 2.87Å; A26-Y30 WeakPolarHBondContact O-CB 3.34Å; A26-Y30 PolarHBondContact O-N 3.3Å; A26-F97 HydrophobicContact CB-CD2 4.49Å; A26-F97 HydrophobicContact CB-CE2 4.33Å
27	I	50.1	Low	52.3	Low	57 Å²	57	73.1 Å²	73.1	29%	0.292	35%	0.352	S	S	.	.	H	α-helix	trans	-62.4	-43.7	175.5	-67.7	167.3	0	0	0	110.5	K23 H24 Q29 Y30 L31	K23-I27 WeakPolarHBondContact O-CG1 3.39Å; K23-I27 PolarHBondContact O-N 2.88Å; H24-I27 PolarHBondContact O-N 2.85Å; I27-Q29 PolarHBondContact O-N 3.5Å; I27-Y30 PolarHBondContact O-N 3.44Å; I27-L31 HydrophobicContact CG2-CD1 3.81Å; I27-L31 HydrophobicContact CG2-CG 4.26Å; I27-L31 WeakPolarHBondContact O-CB 3.48Å; I27-L31 VanDerWaalsContact O-CG 3.25Å; I27-L31 WeakPolarHBondContact O-CG 3.27Å; I27-L31 PolarHBondContact O-N 3.34Å
28	T	51.8	Low	52.6	Low	24 Å²	24	76.5 Å²	76.5	15%	0.147	37%	0.366	C	S	.	.	H	α-helix	trans	-64.1	-40.6	178.4	-58.8	0	0	0	0	111.7	H24 R25 A26 K32	H24-T28 VanDerWaalsContact O-CB 3.3Å; H24-T28 WeakPolarHBondContact O-CB 3.26Å; H24-T28 PolarHBondContact O-N 3.45Å; H24-T28 PolarHBondContact O-OG1 3.45Å; R25-T28 PolarHBondContact O-N 2.71Å; A26-T28 PolarHBondContact O-N 3.45Å; T28-K32 HydrophobicContact CG2-CD 4.44Å; T28-K32 WeakPolarHBondContact O-CB 3.49Å; T28-K32 VanDerWaalsContact O-CG 3.27Å; T28-K32 WeakPolarHBondContact O-CG 3.36Å; T28-K32 PolarHBondContact O-N 3.3Å
29	Q	52.8	Low	52.6	Low	109 Å²	109	72.8 Å²	72.8	51%	0.509	35%	0.349	S	S	.	.	H	α-helix	trans	-65.7	-44.6	174.3	-76.4	173	-31.7	0	0	111.4	R25 A26 I27 L31 K32 C33	R25-Q29 WeakPolarHBondContact O-CB 3.28Å; R25-Q29 WeakPolarHBondContact O-CG 3.35Å; R25-Q29 PolarHBondContact O-N 2.9Å; A26-Q29 PolarHBondContact O-N 2.87Å; I27-Q29 PolarHBondContact O-N 3.5Å; Q29-L31 VanDerWaalsContact C-N 3.35Å; Q29-L31 PolarHBondContact O-N 2.85Å; Q29-K32 PolarHBondContact O-N 3.2Å; Q29-C33 PolarHBondContact O-N 3.32Å; Q29-C33 PolarHBondContact O-SG 3.32Å; Q29-C33 VanDerWaalsContact O-SG 3.41Å
30	Y	53.1	Low	52.7	Low	92 Å²	92	73.6 Å²	73.6	36%	0.361	35%	0.35	S	S	.	.	H	α-helix	trans	-57.9	-46.3	174.3	177.7	-93	0	0	0	111.7	A26 I27 C33 K34 L93	A26-Y30 WeakPolarHBondContact O-CB 3.34Å; A26-Y30 PolarHBondContact O-N 3.3Å; I27-Y30 PolarHBondContact O-N 3.44Å; Y30-C33 WeakPolarHBondContact O-CB 3.3Å; Y30-C33 PolarHBondContact O-N 3.21Å; Y30-K34 HydrophobicContact CD1-CG 4.4Å; Y30-K34 HydrophobicContact CE1-CG 4.09Å; Y30-K34 WeakPolarHBondContact O-CG 3.41Å; Y30-K34 VanDerWaalsContact OH-CE 3.23Å; Y30-K34 WeakPolarHBondContact OH-CE 3.47Å; Y30-L93 HydrophobicContact CD2-CD2 4.21Å
31	L	50.5	Low	53.1	Low	10 Å²	10	77.5 Å²	77.5	5%	0.052	37%	0.368	C	S	.	.	H	α-helix	trans	-66.1	-38.9	178.8	-71.6	172.4	0	0	0	112.1	I27 Q29 C33 K34 Q39 T42 F43	I27-L31 HydrophobicContact CG2-CD1 3.81Å; I27-L31 HydrophobicContact CG2-CG 4.26Å; I27-L31 WeakPolarHBondContact O-CB 3.48Å; I27-L31 VanDerWaalsContact O-CG 3.25Å; I27-L31 WeakPolarHBondContact O-CG 3.27Å; I27-L31 PolarHBondContact O-N 3.34Å; Q29-L31 VanDerWaalsContact C-N 3.35Å; Q29-L31 PolarHBondContact O-N 2.85Å; L31-C33 PolarHBondContact O-N 2.82Å; L31-C33 VanDerWaalsContact O-N 3.1Å; L31-K34 PolarHBondContact O-N 2.8Å; L31-Q39 HydrophobicContact CB-CG 4.32Å; L31-Q39 HydrophobicContact CD2-CB 4.25Å; L31-Q39 HydrophobicContact CD2-CG 4.16Å; L31-Q39 WeakPolarHBondContact O-CG 2.8Å; L31-Q39 PolarHBondContact O-NE2 2Å; L31-T42 HydrophobicContact CD2-CG2 3.86Å; L31-F43 HydrophobicContact CD1-CE1 4.1Å; L31-F43 HydrophobicContact CD1-CE2 3.92Å; L31-F43 HydrophobicContact CD1-CZ 3.54Å
32	K	56.4	Low	53.2	Low	76 Å²	76	76.8 Å²	76.8	33%	0.33	36%	0.363	S	S	.	.	H	α-helix	trans	-57.6	-24.9	174.9	-80.6	172.6	179.1	172.8	0	113.5	T28 Q29	T28-K32 HydrophobicContact CG2-CD 4.44Å; T28-K32 WeakPolarHBondContact O-CB 3.49Å; T28-K32 VanDerWaalsContact O-CG 3.27Å; T28-K32 WeakPolarHBondContact O-CG 3.36Å; T28-K32 PolarHBondContact O-N 3.3Å; Q29-K32 PolarHBondContact O-N 3.2Å
33	C	55.9	Low	53.2	Low	42 Å²	42	72.5 Å²	72.5	28%	0.284	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.4	-179.6	-73.8	0	0	0	0	114.4	Q29 Y30 L31 C91	Q29-C33 PolarHBondContact O-N 3.32Å; Q29-C33 PolarHBondContact O-SG 3.32Å; Q29-C33 VanDerWaalsContact O-SG 3.41Å; Y30-C33 WeakPolarHBondContact O-CB 3.3Å; Y30-C33 PolarHBondContact O-N 3.21Å; L31-C33 PolarHBondContact O-N 2.82Å; L31-C33 VanDerWaalsContact O-N 3.1Å; C33-C91 VanDerWaalsContact CA-SG 3.54Å; C33-C91 HydrophobicContact CB-CB 4.13Å; C33-C91 WeakPolarHBondContact CB-SG 3.48Å; C33-C91 WeakPolarHBondContact SG-CB 2.94Å; C33-C91 CovalentContact SG-SG 2Å; C33-C91 PolarHBondContact SG-SG 3.47Å
34	K	53.9	Low	53.5	Low	67 Å²	67	73.5 Å²	73.5	29%	0.291	35%	0.352	S	S	.	.	S	Bend	trans	-108.4	153.4	-175.2	-69.2	-69.7	179.3	-178.6	0	110.9	Y30 L31 Q38 Q39	Y30-K34 HydrophobicContact CD1-CG 4.4Å; Y30-K34 HydrophobicContact CE1-CG 4.09Å; Y30-K34 WeakPolarHBondContact O-CG 3.41Å; Y30-K34 VanDerWaalsContact OH-CE 3.23Å; Y30-K34 WeakPolarHBondContact OH-CE 3.47Å; L31-K34 PolarHBondContact O-N 2.8Å; K34-Q38 HydrophobicContact CB-CB 3.82Å; K34-Q38 HydrophobicContact CD-CB 4.15Å; K34-Q38 HydrophobicContact CG-CB 4.37Å; K34-Q39 HydrophobicContact CB-CG 4.14Å
35	S	63.5	Low	53.6	Low	60 Å²	60	76.9 Å²	76.9	42%	0.42	37%	0.371	S	S	.	.			trans	-63.4	156.2	171.6	71.9	0	0	0	0	110.2	Q37 Q38 Q39	S35-Q37 PolarHBondContact O-N 3.29Å; S35-Q37 VanDerWaalsContact O-N 3.14Å; S35-Q38 WeakPolarHBondContact O-CB 3.45Å; S35-Q38 PolarHBondContact O-N 2.73Å; S35-Q38 WeakPolarHBondContact OG-CG 2.99Å; S35-Q38 PolarHBondContact OG-N 3.49Å; S35-Q39 WeakPolarHBondContact O-CG 3.07Å; S35-Q39 PolarHBondContact O-N 3.36Å
36	K	57.4	Low	53.5	Low	178 Å²	178	73 Å²	73	77%	0.774	36%	0.358	S	S	*	.	H	α-helix	trans	-52.4	-37.6	177.1	-74.3	-175.2	175.9	179.6	0	112.7	Q39 E40	K36-Q39 PolarHBondContact O-N 2.82Å; K36-E40 WeakPolarHBondContact O-CB 3.34Å; K36-E40 PolarHBondContact O-N 2.7Å
37	Q	54	Low	53.3	Low	133 Å²	133	73 Å²	73	62%	0.621	35%	0.354	S	S	*	.	H	α-helix	trans	-63.8	-45.3	176.4	-174.2	178.6	-11.1	0	0	111.8	S35 E40 E41	S35-Q37 PolarHBondContact O-N 3.29Å; S35-Q37 VanDerWaalsContact O-N 3.14Å; Q37-E40 PolarHBondContact O-N 3.3Å; Q37-E41 PolarHBondContact NE2-OE1 3.46Å; Q37-E41 WeakPolarHBondContact O-CG 3.27Å; Q37-E41 PolarHBondContact O-N 2.98Å
38	Q	50.9	Low	53.7	Low	78 Å²	78	76.5 Å²	76.5	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-68.7	-35	177.4	-74.1	173.2	-22.4	0	0	112.6	K34 S35 T42	K34-Q38 HydrophobicContact CB-CB 3.82Å; K34-Q38 HydrophobicContact CD-CB 4.15Å; K34-Q38 HydrophobicContact CG-CB 4.37Å; S35-Q38 WeakPolarHBondContact O-CB 3.45Å; S35-Q38 PolarHBondContact O-N 2.73Å; S35-Q38 WeakPolarHBondContact OG-CG 2.99Å; S35-Q38 PolarHBondContact OG-N 3.49Å; Q38-T42 WeakPolarHBondContact O-CB 3.48Å; Q38-T42 PolarHBondContact O-N 3.45Å; Q38-T42 PolarHBondContact O-OG1 3.41Å
39	Q	48.2	Very low	53.8	Low	34 Å²	34	77.9 Å²	77.9	16%	0.159	37%	0.372	C	S	.	.	H	α-helix	trans	-60.5	-48.7	171.7	-68.4	175.7	-13.3	0	0	110.3	L31 K34 S35 K36 T42 F43	L31-Q39 HydrophobicContact CB-CG 4.32Å; L31-Q39 HydrophobicContact CD2-CB 4.25Å; L31-Q39 HydrophobicContact CD2-CG 4.16Å; L31-Q39 WeakPolarHBondContact O-CG 2.8Å; L31-Q39 PolarHBondContact O-NE2 2Å; K34-Q39 HydrophobicContact CB-CG 4.14Å; S35-Q39 WeakPolarHBondContact O-CG 3.07Å; S35-Q39 PolarHBondContact O-N 3.36Å; K36-Q39 PolarHBondContact O-N 2.82Å; Q39-T42 PolarHBondContact O-N 3.03Å; Q39-F43 HydrophobicContact CB-CD2 4.43Å; Q39-F43 HydrophobicContact CB-CE2 4.43Å; Q39-F43 WeakPolarHBondContact O-CB 3.23Å; Q39-F43 WeakPolarHBondContact O-CD2 3.36Å; Q39-F43 PolarHBondContact O-N 2.91Å
40	E	52.3	Low	53.5	Low	93 Å²	93	73.3 Å²	73.3	44%	0.435	35%	0.351	S	S	.	.	H	α-helix	trans	-63.8	-41.5	179.6	-173.6	158	-142	0	0	112.6	K36 Q37 F43 N44 K69	K36-E40 WeakPolarHBondContact O-CB 3.34Å; K36-E40 PolarHBondContact O-N 2.7Å; Q37-E40 PolarHBondContact O-N 3.3Å; E40-F43 PolarHBondContact O-N 3.43Å; E40-N44 VanDerWaalsContact O-CB 3.28Å; E40-N44 WeakPolarHBondContact O-CB 3.37Å; E40-N44 PolarHBondContact O-N 3.21Å; E40-N44 PolarHBondContact O-ND2 3.1Å; E40-N44 VanDerWaalsContact O-ND2 3.17Å; E40-K69 IonicContact OE1-NZ 3.73Å
41	E	56.9	Low	53.3	Low	109 Å²	109	70.7 Å²	70.7	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-60	-44.4	171.5	-74.9	170.9	-169.5	0	0	111.9	Q37 N44 L45	Q37-E41 PolarHBondContact NE2-OE1 3.46Å; Q37-E41 WeakPolarHBondContact O-CG 3.27Å; Q37-E41 PolarHBondContact O-N 2.98Å; E41-N44 PolarHBondContact O-N 3.38Å; E41-L45 WeakPolarHBondContact O-CB 3.25Å; E41-L45 PolarHBondContact O-N 2.91Å
42	T	51	Low	53.6	Low	46 Å²	46	74.6 Å²	74.6	28%	0.282	36%	0.36	S	S	.	.	H	α-helix	trans	-64.6	-42.3	177.8	-55.3	0	0	0	0	111.2	L31 Q38 Q39 L45 F46	L31-T42 HydrophobicContact CD2-CG2 3.86Å; Q38-T42 WeakPolarHBondContact O-CB 3.48Å; Q38-T42 PolarHBondContact O-N 3.45Å; Q38-T42 PolarHBondContact O-OG1 3.41Å; Q39-T42 PolarHBondContact O-N 3.03Å; T42-L45 PolarHBondContact O-N 2.83Å; T42-F46 WeakPolarHBondContact O-CB 3.39Å; T42-F46 PolarHBondContact O-N 3.31Å
43	F	52.3	Low	53.1	Low	49 Å²	49	72.6 Å²	72.6	22%	0.215	35%	0.351	C	S	.	.	H	α-helix	trans	-64.1	-43.3	174.5	-81.4	-61.2	0	0	0	112	L31 Q39 E40 L45 F46 I47 F72	L31-F43 HydrophobicContact CD1-CE1 4.1Å; L31-F43 HydrophobicContact CD1-CE2 3.92Å; L31-F43 HydrophobicContact CD1-CZ 3.54Å; Q39-F43 HydrophobicContact CB-CD2 4.43Å; Q39-F43 HydrophobicContact CB-CE2 4.43Å; Q39-F43 WeakPolarHBondContact O-CB 3.23Å; Q39-F43 WeakPolarHBondContact O-CD2 3.36Å; Q39-F43 PolarHBondContact O-N 2.91Å; E40-F43 PolarHBondContact O-N 3.43Å; F43-L45 VanDerWaalsContact C-N 3.34Å; F43-L45 PolarHBondContact O-N 2.88Å; F43-F46 WeakPolarHBondContact O-CB 3.37Å; F43-F46 PolarHBondContact O-N 2.85Å; F43-I47 WeakPolarHBondContact O-CB 3.36Å; F43-I47 VanDerWaalsContact O-CG1 3.26Å; F43-I47 WeakPolarHBondContact O-CG1 3.5Å; F43-I47 PolarHBondContact O-N 3.02Å; F43-F72 HydrophobicContact CD1-CD2 4.29Å; F43-F72 HydrophobicContact CD1-CE2 4.46Å; F43-F72 HydrophobicContact CE1-CB 3.94Å; F43-F72 AromaticContact CE1-CD1 3.61Å; F43-F72 HydrophobicContact CE1-CD1 3.61Å; F43-F72 AromaticContact CE1-CD2 3.55Å; F43-F72 HydrophobicContact CE1-CD2 3.55Å; F43-F72 AromaticContact CE1-CE1 3.92Å; F43-F72 HydrophobicContact CE1-CE1 3.92Å; F43-F72 AromaticContact CE1-CE2 3.88Å; F43-F72 HydrophobicContact CE1-CE2 3.88Å; F43-F72 AromaticContact CE1-CG 3.42Å; F43-F72 HydrophobicContact CE1-CG 3.42Å; F43-F72 VanDerWaalsContact CE1-CG 3.42Å; F43-F72 HydrophobicContact CE1-CZ 4.06Å; F43-F72 HydrophobicContact CZ-CB 3.84Å; F43-F72 AromaticContact CZ-CD1 3.86Å; F43-F72 HydrophobicContact CZ-CD1 3.86Å; F43-F72 HydrophobicContact CZ-CD2 4.33Å; F43-F72 HydrophobicContact CZ-CE1 4.49Å; F43-F72 AromaticContact CZ-CG 3.77Å; F43-F72 HydrophobicContact CZ-CG 3.77Å
44	N	55.3	Low	52.6	Low	72 Å²	72	71.8 Å²	71.8	39%	0.385	34%	0.343	S	S	.	.	H	α-helix	trans	-65.2	-39.3	177.8	-73.4	-26.3	0	0	0	111.5	E40 E41 I47 K48	E40-N44 VanDerWaalsContact O-CB 3.28Å; E40-N44 WeakPolarHBondContact O-CB 3.37Å; E40-N44 PolarHBondContact O-N 3.21Å; E40-N44 PolarHBondContact O-ND2 3.1Å; E40-N44 VanDerWaalsContact O-ND2 3.17Å; E41-N44 PolarHBondContact O-N 3.38Å; N44-I47 PolarHBondContact O-N 3.17Å; N44-K48 VanDerWaalsContact O-CB 3.27Å; N44-K48 WeakPolarHBondContact O-CB 3.19Å; N44-K48 PolarHBondContact O-N 2.88Å
45	L	54.3	Low	52.6	Low	105 Å²	105	75.6 Å²	75.6	55%	0.55	36%	0.36	S	S	.	.	H	α-helix	trans	-63.6	-46.5	174	-175.7	65.9	0	0	0	111	E41 T42 F43 I47 K48 E49	E41-L45 WeakPolarHBondContact O-CB 3.25Å; E41-L45 PolarHBondContact O-N 2.91Å; T42-L45 PolarHBondContact O-N 2.83Å; F43-L45 VanDerWaalsContact C-N 3.34Å; F43-L45 PolarHBondContact O-N 2.88Å; L45-I47 PolarHBondContact O-N 2.99Å; L45-K48 PolarHBondContact O-N 3.12Å; L45-E49 PolarHBondContact O-N 3.05Å
46	F	50.2	Low	52	Low	69 Å²	69	78.5 Å²	78.5	30%	0.303	37%	0.371	S	S	.	.	H	α-helix	trans	-57.3	-48	175.4	178.2	-96.4	0	0	0	111.5	T42 F43 K48 E49 M50	T42-F46 WeakPolarHBondContact O-CB 3.39Å; T42-F46 PolarHBondContact O-N 3.31Å; F43-F46 WeakPolarHBondContact O-CB 3.37Å; F43-F46 PolarHBondContact O-N 2.85Å; F46-K48 PolarHBondContact O-N 3.23Å; F46-E49 PolarHBondContact O-N 3.04Å; F46-M50 HydrophobicContact CD1-CG 4.09Å; F46-M50 HydrophobicContact CE1-CG 3.73Å; F46-M50 HydrophobicContact CE2-CG 4.22Å; F46-M50 HydrophobicContact CE2-SD 4.47Å; F46-M50 HydrophobicContact CG-CG 4.48Å; F46-M50 HydrophobicContact CZ-CE 4.47Å; F46-M50 HydrophobicContact CZ-CG 3.81Å; F46-M50 HydrophobicContact CZ-SD 4.07Å; F46-M50 WeakPolarHBondContact O-CB 3.34Å; F46-M50 WeakPolarHBondContact O-CG 3.42Å; F46-M50 PolarHBondContact O-N 3.35Å
47	I	49.3	Very low	51.2	Low	31 Å²	31	74.3 Å²	74.3	16%	0.159	36%	0.357	C	S	.	.	H	α-helix	trans	-64.1	-40.8	178.2	-69.2	168.4	0	0	0	111.3	F43 N44 L45 M50 N51 Y65	F43-I47 WeakPolarHBondContact O-CB 3.36Å; F43-I47 VanDerWaalsContact O-CG1 3.26Å; F43-I47 WeakPolarHBondContact O-CG1 3.5Å; F43-I47 PolarHBondContact O-N 3.02Å; N44-I47 PolarHBondContact O-N 3.17Å; L45-I47 PolarHBondContact O-N 2.99Å; I47-M50 PolarHBondContact O-N 3.37Å; I47-N51 WeakPolarHBondContact O-CB 3.06Å; I47-N51 PolarHBondContact O-N 3.4Å; I47-N51 PolarHBondContact O-ND2 2.69Å; I47-Y65 HydrophobicContact CD1-CD2 3.71Å; I47-Y65 HydrophobicContact CD1-CE2 3.7Å
48	K	56.9	Low	50.8	Low	129 Å²	129	75.5 Å²	75.5	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-62.1	-46.2	177.4	-175.8	-179.7	-178.7	-179	0	111.1	N44 L45 F46 N51 K52	N44-K48 VanDerWaalsContact O-CB 3.27Å; N44-K48 WeakPolarHBondContact O-CB 3.19Å; N44-K48 PolarHBondContact O-N 2.88Å; L45-K48 PolarHBondContact O-N 3.12Å; F46-K48 PolarHBondContact O-N 3.23Å; K48-N51 PolarHBondContact O-N 3.43Å; K48-K52 WeakPolarHBondContact O-CG 3.49Å; K48-K52 PolarHBondContact O-N 3.36Å
49	E	54	Low	50.3	Low	54 Å²	54	75 Å²	75	25%	0.252	37%	0.367	S	S	.	.	H	α-helix	trans	-65.8	-44.2	176.6	-77.1	-53.7	134.9	0	0	111.7	L45 F46 N51 K52 Q53	L45-E49 PolarHBondContact O-N 3.05Å; F46-E49 PolarHBondContact O-N 3.04Å; E49-N51 VanDerWaalsContact C-N 3.34Å; E49-N51 PolarHBondContact O-N 2.89Å; E49-K52 WeakPolarHBondContact O-CB 3.35Å; E49-K52 PolarHBondContact O-N 2.84Å; E49-K52 VanDerWaalsContact O-N 3.17Å; E49-K52 IonicContact OE1-NZ 2.67Å; E49-K52 PolarHBondContact OE1-NZ 3.27Å; E49-Q53 WeakPolarHBondContact O-CG 3.45Å; E49-Q53 PolarHBondContact O-N 3.32Å
50	M	46.8	Very low	50.1	Low	13 Å²	13	79.7 Å²	79.7	6%	0.064	40%	0.398	C	S	.	.	H	α-helix	trans	-54.7	-50.6	172.9	-74	-67.2	-79.1	0	0	110.7	F46 I47 K52 Q53 F54 Y113	F46-M50 HydrophobicContact CD1-CG 4.09Å; F46-M50 HydrophobicContact CE1-CG 3.73Å; F46-M50 HydrophobicContact CE2-CG 4.22Å; F46-M50 HydrophobicContact CE2-SD 4.47Å; F46-M50 HydrophobicContact CG-CG 4.48Å; F46-M50 HydrophobicContact CZ-CE 4.47Å; F46-M50 HydrophobicContact CZ-CG 3.81Å; F46-M50 HydrophobicContact CZ-SD 4.07Å; F46-M50 WeakPolarHBondContact O-CB 3.34Å; F46-M50 WeakPolarHBondContact O-CG 3.42Å; F46-M50 PolarHBondContact O-N 3.35Å; I47-M50 PolarHBondContact O-N 3.37Å; M50-K52 VanDerWaalsContact C-N 3.33Å; M50-K52 PolarHBondContact O-N 3.18Å; M50-Q53 WeakPolarHBondContact O-CA 3.21Å; M50-Q53 WeakPolarHBondContact O-CB 3.44Å; M50-Q53 PolarHBondContact O-N 3.43Å; M50-F54 HydrophobicContact CB-CD2 4.45Å; M50-F54 HydrophobicContact CB-CE2 4.3Å; M50-F54 HydrophobicContact CE-CE2 3.88Å; M50-F54 HydrophobicContact CE-CZ 4.39Å; M50-F54 WeakPolarHBondContact O-CD2 3.34Å; M50-F54 PolarHBondContact O-N 2.68Å; M50-Y113 HydrophobicContact CE-CD1 4.17Å; M50-Y113 HydrophobicContact CE-CE1 4.4Å; M50-Y113 HydrophobicContact SD-CD1 3.88Å; M50-Y113 HydrophobicContact SD-CE1 3.85Å
51	N	49.9	Very low	49.7	Very low	36 Å²	36	77.8 Å²	77.8	19%	0.193	40%	0.395	C	S	.	.	H	α-helix	trans	-63	-33.9	179.2	-84.2	-32.8	0	0	0	113.8	I47 K48 E49 Q53 K55 F62	I47-N51 WeakPolarHBondContact O-CB 3.06Å; I47-N51 PolarHBondContact O-N 3.4Å; I47-N51 PolarHBondContact O-ND2 2.69Å; K48-N51 PolarHBondContact O-N 3.43Å; E49-N51 VanDerWaalsContact C-N 3.34Å; E49-N51 PolarHBondContact O-N 2.89Å; N51-Q53 VanDerWaalsContact C-N 3.33Å; N51-K55 WeakPolarHBondContact O-CB 3.41Å; N51-K55 WeakPolarHBondContact O-CG 2.95Å; N51-K55 PolarHBondContact O-N 3.31Å; N51-F62 WeakPolarHBondContact OD1-CB 3.44Å; N51-F62 PolarHBondContact OD1-N 2.78Å
52	K	56.3	Low	49.3	Very low	92 Å²	92	75.2 Å²	75.2	40%	0.4	38%	0.382	S	S	.	.	H	α-helix	trans	-62	-44	170.8	-74.2	175.6	-178.1	175.6	0	110.9	K48 E49 M50 K55 N56	K48-K52 WeakPolarHBondContact O-CG 3.49Å; K48-K52 PolarHBondContact O-N 3.36Å; E49-K52 WeakPolarHBondContact O-CB 3.35Å; E49-K52 PolarHBondContact O-N 2.84Å; E49-K52 VanDerWaalsContact O-N 3.17Å; E49-K52 IonicContact OE1-NZ 2.67Å; E49-K52 PolarHBondContact OE1-NZ 3.27Å; M50-K52 VanDerWaalsContact C-N 3.33Å; M50-K52 PolarHBondContact O-N 3.18Å; K52-K55 PolarHBondContact O-N 3.37Å; K52-N56 WeakPolarHBondContact O-CB 3.36Å; K52-N56 PolarHBondContact O-N 3.21Å; K52-N56 PolarHBondContact O-OD1 2.74Å
53	Q	46.3	Very low	48.9	Very low	34 Å²	34	79.3 Å²	79.3	16%	0.159	41%	0.408	C	S	.	.	H	α-helix	trans	-67.9	-39.2	179.7	-63.9	-68.4	-14.7	0	0	112.2	E49 M50 N51 N56 N57 I109	E49-Q53 WeakPolarHBondContact O-CG 3.45Å; E49-Q53 PolarHBondContact O-N 3.32Å; M50-Q53 WeakPolarHBondContact O-CA 3.21Å; M50-Q53 WeakPolarHBondContact O-CB 3.44Å; M50-Q53 PolarHBondContact O-N 3.43Å; N51-Q53 VanDerWaalsContact C-N 3.33Å; Q53-N56 PolarHBondContact O-N 2.81Å; Q53-N57 WeakPolarHBondContact O-CB 3.37Å; Q53-N57 PolarHBondContact O-N 2.85Å; Q53-N57 VanDerWaalsContact O-N 3.1Å; Q53-N57 PolarHBondContact O-ND2 3.44Å; Q53-I109 HydrophobicContact CG-CG2 3.89Å
54	F	44.8	Very low	48.8	Very low	26 Å²	26	80.3 Å²	80.3	11%	0.114	42%	0.415	C	S	.	.	H	α-helix	trans	-58.8	-49.7	172.1	-79.9	-81.1	0	0	0	111	M50 N56 N57 N58 L59 T60 F62	M50-F54 HydrophobicContact CB-CD2 4.45Å; M50-F54 HydrophobicContact CB-CE2 4.3Å; M50-F54 HydrophobicContact CE-CE2 3.88Å; M50-F54 HydrophobicContact CE-CZ 4.39Å; M50-F54 WeakPolarHBondContact O-CD2 3.34Å; M50-F54 PolarHBondContact O-N 2.68Å; F54-N56 PolarHBondContact O-N 3.38Å; F54-N57 CarbonylContact O-C 3.56Å; F54-N57 PolarHBondContact O-N 3.4Å; F54-N58 PolarHBondContact O-N 3.06Å; F54-L59 CarbonylContact C-O 3.48Å; F54-L59 HydrophobicContact CB-CB 4.31Å; F54-L59 HydrophobicContact CD1-CB 3.5Å; F54-L59 HydrophobicContact CD1-CD1 4.14Å; F54-L59 HydrophobicContact CD1-CG 4.49Å; F54-L59 HydrophobicContact CE1-CB 4.29Å; F54-L59 HydrophobicContact CE1-CD1 4.35Å; F54-L59 HydrophobicContact CG-CB 4.36Å; F54-L59 PolarHBondContact O-N 3.48Å; F54-T60 VanDerWaalsContact CD1-O 3.3Å; F54-T60 WeakPolarHBondContact CD1-O 3.45Å; F54-F62 HydrophobicContact CE2-CD2 4.12Å; F54-F62 HydrophobicContact CZ-CD2 4.29Å
55	K	53.8	Low	48.1	Very low	147 Å²	147	81.4 Å²	81.4	64%	0.639	41%	0.414	S	S	*	.	H	α-helix	trans	-60.2	-43.3	177.6	-74.1	-179	179.1	-173.2	0	112.5	N51 K52 N57 N58	N51-K55 WeakPolarHBondContact O-CB 3.41Å; N51-K55 WeakPolarHBondContact O-CG 2.95Å; N51-K55 PolarHBondContact O-N 3.31Å; K52-K55 PolarHBondContact O-N 3.37Å; K55-N57 PolarHBondContact O-N 2.99Å; K55-N58 PolarHBondContact O-N 2.74Å
56	N	51.6	Low	47.6	Very low	121 Å²	121	79.6 Å²	79.6	65%	0.647	41%	0.41	S	S	*	.	H	α-helix	trans	-66	-25.1	179.4	-71.8	-8.4	0	0	0	113.3	K52 Q53 F54	K52-N56 WeakPolarHBondContact O-CB 3.36Å; K52-N56 PolarHBondContact O-N 3.21Å; K52-N56 PolarHBondContact O-OD1 2.74Å; Q53-N56 PolarHBondContact O-N 2.81Å; F54-N56 PolarHBondContact O-N 3.38Å
57	N	40.1	Very low	47.4	Very low	89 Å²	89	79.5 Å²	79.5	48%	0.476	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	13.4	179.4	-69.8	-71.3	0	0	0	113.2	Q53 F54 K55 L59	Q53-N57 WeakPolarHBondContact O-CB 3.37Å; Q53-N57 PolarHBondContact O-N 2.85Å; Q53-N57 VanDerWaalsContact O-N 3.1Å; Q53-N57 PolarHBondContact O-ND2 3.44Å; F54-N57 CarbonylContact O-C 3.56Å; F54-N57 PolarHBondContact O-N 3.4Å; K55-N57 PolarHBondContact O-N 2.99Å; N57-L59 HydrophobicContact CB-CD1 4.03Å; N57-L59 HydrophobicContact CB-CG 4Å; N57-L59 PolarHBondContact O-N 3.01Å; N57-L59 VanDerWaalsContact O-N 3.12Å
58	N	46.5	Very low	47	Very low	159 Å²	159	78.5 Å²	78.5	85%	0.85	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	27.8	-174.6	-67	-27.7	0	0	0	114	F54 K55	F54-N58 PolarHBondContact O-N 3.06Å; K55-N58 PolarHBondContact O-N 2.74Å
59	L	39.9	Very low	46.4	Very low	66 Å²	66	76.2 Å²	76.2	35%	0.346	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-92.6	146.4	175.3	-60	174.9	0	0	0	109.2	F54 N57 S61 D114	F54-L59 CarbonylContact C-O 3.48Å; F54-L59 HydrophobicContact CB-CB 4.31Å; F54-L59 HydrophobicContact CD1-CB 3.5Å; F54-L59 HydrophobicContact CD1-CD1 4.14Å; F54-L59 HydrophobicContact CD1-CG 4.49Å; F54-L59 HydrophobicContact CE1-CB 4.29Å; F54-L59 HydrophobicContact CE1-CD1 4.35Å; F54-L59 HydrophobicContact CG-CB 4.36Å; F54-L59 PolarHBondContact O-N 3.48Å; N57-L59 HydrophobicContact CB-CD1 4.03Å; N57-L59 HydrophobicContact CB-CG 4Å; N57-L59 PolarHBondContact O-N 3.01Å; N57-L59 VanDerWaalsContact O-N 3.12Å; L59-S61 PolarHBondContact O-N 2.83Å; L59-D114 HydrophobicContact CD1-CB 4.49Å
60	T	44.5	Very low	46.2	Very low	133 Å²	133	77.1 Å²	77.1	82%	0.816	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-58.7	127.7	177.6	30.8	0	0	0	0	110.6	F54	F54-T60 VanDerWaalsContact CD1-O 3.3Å; F54-T60 WeakPolarHBondContact CD1-O 3.45Å
61	S	44.1	Very low	46.1	Very low	54 Å²	54	79.1 Å²	79.1	38%	0.378	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-60.2	149.8	177.7	43.3	0	0	0	0	111.6	L59 T63	L59-S61 PolarHBondContact O-N 2.83Å; S61-T63 PolarHBondContact O-N 3.31Å; S61-T63 VanDerWaalsContact O-N 3.11Å
62	F	47.5	Very low	45.8	Very low	54 Å²	54	79.7 Å²	79.7	24%	0.237	42%	0.423	C	S	.	.			trans	-67.6	107.9	179	-139.2	-82.5	0	0	0	109.8	N51 F54 D64 V68 W117	N51-F62 WeakPolarHBondContact OD1-CB 3.44Å; N51-F62 PolarHBondContact OD1-N 2.78Å; F54-F62 HydrophobicContact CE2-CD2 4.12Å; F54-F62 HydrophobicContact CZ-CD2 4.29Å; F62-D64 VanDerWaalsContact CE1-O 3.32Å; F62-D64 WeakPolarHBondContact CE1-O 3.36Å; F62-V68 HydrophobicContact CD1-CG2 4.05Å; F62-V68 HydrophobicContact CE1-CB 4.1Å; F62-V68 HydrophobicContact CE1-CG2 3.1Å; F62-V68 HydrophobicContact CE2-CG2 4.04Å; F62-V68 HydrophobicContact CZ-CB 4.45Å; F62-V68 HydrophobicContact CZ-CG2 3.09Å; F62-W117 HydrophobicContact CE2-CH2 4.15Å; F62-W117 AromaticContact CE2-CZ2 3.63Å; F62-W117 HydrophobicContact CE2-CZ2 3.63Å; F62-W117 HydrophobicContact CZ-CH2 4.14Å; F62-W117 AromaticContact CZ-CZ2 3.78Å; F62-W117 HydrophobicContact CZ-CZ2 3.78Å
63	T	43	Very low	45.3	Very low	133 Å²	133	78 Å²	78	82%	0.816	42%	0.418	S	S	*	.			trans	-96.5	-17.6	175.3	43.5	0	0	0	0	113	S61 Y65	S61-T63 PolarHBondContact O-N 3.31Å; S61-T63 VanDerWaalsContact O-N 3.11Å; T63-Y65 PolarHBondContact O-N 3.34Å
64	D	50.6	Low	45.5	Very low	70 Å²	70	82.6 Å²	82.6	37%	0.374	44%	0.438	S	S	.	.			trans	-98.8	66.5	-175.8	-161.6	-8.3	0	0	0	112.9	F62 S66 T67 V68	F62-D64 VanDerWaalsContact CE1-O 3.32Å; F62-D64 WeakPolarHBondContact CE1-O 3.36Å; D64-S66 PolarHBondContact O-N 3.48Å; D64-S66 VanDerWaalsContact O-N 3.16Å; D64-S66 PolarHBondContact OD1-N 3.3Å; D64-S66 PolarHBondContact OD1-OG 2.87Å; D64-T67 PolarHBondContact O-N 2.72Å; D64-T67 VanDerWaalsContact O-N 3.16Å; D64-T67 PolarHBondContact OD1-N 3.22Å; D64-T67 VanDerWaalsContact OD1-N 3.09Å; D64-T67 PolarHBondContact OD1-OG1 2.89Å; D64-T67 WeakPolarHBondContact OD2-CB 3.24Å; D64-T67 PolarHBondContact OD2-OG1 2.86Å; D64-V68 PolarHBondContact O-N 2.83Å
65	Y	39	Very low	45.6	Very low	94 Å²	94	82.9 Å²	82.9	37%	0.369	44%	0.439	S	S	.	.	H	α-helix	trans	-48	-37.5	172.5	179.6	-90.2	0	0	0	112.2	I47 T63 K69	I47-Y65 HydrophobicContact CD1-CD2 3.71Å; I47-Y65 HydrophobicContact CD1-CE2 3.7Å; T63-Y65 PolarHBondContact O-N 3.34Å; Y65-K69 HydrophobicContact CD1-CD 4.31Å; Y65-K69 HydrophobicContact CE1-CD 3.51Å; Y65-K69 VanDerWaalsContact O-CB 3.24Å; Y65-K69 WeakPolarHBondContact O-CB 3.49Å; Y65-K69 PolarHBondContact O-N 3.17Å; Y65-K69 VanDerWaalsContact O-N 3.1Å; Y65-K69 PolarHBondContact OH-NZ 2.83Å
66	S	45.8	Very low	45	Very low	67 Å²	67	79.2 Å²	79.2	47%	0.469	42%	0.424	S	S	.	.	H	α-helix	trans	-67	-42	-177.5	74.1	0	0	0	0	112	D64 K69 D70	D64-S66 PolarHBondContact O-N 3.48Å; D64-S66 VanDerWaalsContact O-N 3.16Å; D64-S66 PolarHBondContact OD1-N 3.3Å; D64-S66 PolarHBondContact OD1-OG 2.87Å; S66-K69 PolarHBondContact O-N 2.87Å; S66-D70 WeakPolarHBondContact O-CB 3.3Å; S66-D70 VanDerWaalsContact O-CG 3.27Å; S66-D70 PolarHBondContact O-N 3.35Å
67	T	44.6	Very low	44.6	Very low	67 Å²	67	79.6 Å²	79.6	41%	0.411	42%	0.42	S	S	.	.	H	α-helix	trans	-68	-38.6	-179.4	-69.1	0	0	0	0	113	D64 C71	D64-T67 PolarHBondContact O-N 2.72Å; D64-T67 VanDerWaalsContact O-N 3.16Å; D64-T67 PolarHBondContact OD1-N 3.22Å; D64-T67 VanDerWaalsContact OD1-N 3.09Å; D64-T67 PolarHBondContact OD1-OG1 2.89Å; D64-T67 WeakPolarHBondContact OD2-CB 3.24Å; D64-T67 PolarHBondContact OD2-OG1 2.86Å; T67-C71 WeakPolarHBondContact O-CB 3.33Å; T67-C71 PolarHBondContact O-N 3.42Å; T67-C71 PolarHBondContact O-SG 2.93Å; T67-C71 VanDerWaalsContact O-SG 3.33Å
68	V	40.9	Very low	44.6	Very low	11 Å²	11	80 Å²	80	7%	0.067	42%	0.421	C	S	.	.	H	α-helix	trans	-69.6	-47.1	175.9	167.5	0	0	0	0	110.9	F62 D64 D70 C71 F72 W117	F62-V68 HydrophobicContact CD1-CG2 4.05Å; F62-V68 HydrophobicContact CE1-CB 4.1Å; F62-V68 HydrophobicContact CE1-CG2 3.1Å; F62-V68 HydrophobicContact CE2-CG2 4.04Å; F62-V68 HydrophobicContact CZ-CB 4.45Å; F62-V68 HydrophobicContact CZ-CG2 3.09Å; D64-V68 PolarHBondContact O-N 2.83Å; V68-D70 VanDerWaalsContact C-N 3.3Å; V68-D70 PolarHBondContact O-N 2.84Å; V68-C71 WeakPolarHBondContact O-CB 3.41Å; V68-C71 PolarHBondContact O-N 2.88Å; V68-F72 HydrophobicContact CG1-CD2 3.86Å; V68-F72 HydrophobicContact CG1-CE2 3.77Å; V68-F72 VanDerWaalsContact O-CD2 3.26Å; V68-F72 WeakPolarHBondContact O-CD2 3.14Å; V68-F72 PolarHBondContact O-N 2.84Å; V68-F72 VanDerWaalsContact O-N 3.12Å; V68-W117 HydrophobicContact CG2-CH2 4.08Å
69	K	44	Very low	44.1	Very low	81 Å²	81	76.4 Å²	76.4	35%	0.352	40%	0.398	S	S	.	.	H	α-helix	trans	-59.5	-42.9	176.8	-173.4	167.9	-175.9	168.2	0	111.1	E40 Y65 S66 C71 F72 I73	E40-K69 IonicContact OE1-NZ 3.73Å; Y65-K69 HydrophobicContact CD1-CD 4.31Å; Y65-K69 HydrophobicContact CE1-CD 3.51Å; Y65-K69 VanDerWaalsContact O-CB 3.24Å; Y65-K69 WeakPolarHBondContact O-CB 3.49Å; Y65-K69 PolarHBondContact O-N 3.17Å; Y65-K69 VanDerWaalsContact O-N 3.1Å; Y65-K69 PolarHBondContact OH-NZ 2.83Å; S66-K69 PolarHBondContact O-N 2.87Å; K69-C71 PolarHBondContact O-N 3.26Å; K69-F72 PolarHBondContact O-N 3.36Å; K69-I73 HydrophobicContact CD-CD1 4.4Å; K69-I73 HydrophobicContact CG-CD1 3.58Å; K69-I73 HydrophobicContact CG-CG1 4.4Å; K69-I73 WeakPolarHBondContact O-CB 3.18Å; K69-I73 WeakPolarHBondContact O-CG1 3.37Å; K69-I73 PolarHBondContact O-N 2.99Å
70	D	49.4	Very low	44.2	Very low	73 Å²	73	78.9 Å²	78.9	39%	0.39	41%	0.408	S	S	.	.	H	α-helix	trans	-64.9	-35.9	176	-85.3	3.8	0	0	0	112.8	S66 V68 K74	S66-D70 WeakPolarHBondContact O-CB 3.3Å; S66-D70 VanDerWaalsContact O-CG 3.27Å; S66-D70 PolarHBondContact O-N 3.35Å; V68-D70 VanDerWaalsContact C-N 3.3Å; V68-D70 PolarHBondContact O-N 2.84Å; D70-K74 WeakPolarHBondContact O-CB 3.28Å; D70-K74 VanDerWaalsContact O-CG 3.22Å; D70-K74 WeakPolarHBondContact O-CG 3.32Å; D70-K74 PolarHBondContact O-N 3.48Å
71	C	45.7	Very low	43.9	Very low	55 Å²	55	82.5 Å²	82.5	37%	0.372	41%	0.407	S	S	.	.	H	α-helix	trans	-63.3	-47.4	174.2	-80.3	0	0	0	0	111.4	T67 V68 K69 E75	T67-C71 WeakPolarHBondContact O-CB 3.33Å; T67-C71 PolarHBondContact O-N 3.42Å; T67-C71 PolarHBondContact O-SG 2.93Å; T67-C71 VanDerWaalsContact O-SG 3.33Å; V68-C71 WeakPolarHBondContact O-CB 3.41Å; V68-C71 PolarHBondContact O-N 2.88Å; K69-C71 PolarHBondContact O-N 3.26Å; C71-E75 PolarHBondContact O-N 3.25Å; C71-E75 VanDerWaalsContact O-N 3.15Å
72	F	44.2	Very low	44	Very low	47 Å²	47	87.6 Å²	87.6	21%	0.206	42%	0.422	C	S	.	.	H	α-helix	trans	-64.8	-41.4	177.1	-79.3	-78.5	0	0	0	112.3	H24 F43 V68 K69 E76	H24-F72 AromaticContact CE1-CE1 3.8Å; F43-F72 HydrophobicContact CD1-CD2 4.29Å; F43-F72 HydrophobicContact CD1-CE2 4.46Å; F43-F72 HydrophobicContact CE1-CB 3.94Å; F43-F72 AromaticContact CE1-CD1 3.61Å; F43-F72 HydrophobicContact CE1-CD1 3.61Å; F43-F72 AromaticContact CE1-CD2 3.55Å; F43-F72 HydrophobicContact CE1-CD2 3.55Å; F43-F72 AromaticContact CE1-CE1 3.92Å; F43-F72 HydrophobicContact CE1-CE1 3.92Å; F43-F72 AromaticContact CE1-CE2 3.88Å; F43-F72 HydrophobicContact CE1-CE2 3.88Å; F43-F72 AromaticContact CE1-CG 3.42Å; F43-F72 HydrophobicContact CE1-CG 3.42Å; F43-F72 VanDerWaalsContact CE1-CG 3.42Å; F43-F72 HydrophobicContact CE1-CZ 4.06Å; F43-F72 HydrophobicContact CZ-CB 3.84Å; F43-F72 AromaticContact CZ-CD1 3.86Å; F43-F72 HydrophobicContact CZ-CD1 3.86Å; F43-F72 HydrophobicContact CZ-CD2 4.33Å; F43-F72 HydrophobicContact CZ-CE1 4.49Å; F43-F72 AromaticContact CZ-CG 3.77Å; F43-F72 HydrophobicContact CZ-CG 3.77Å; V68-F72 HydrophobicContact CG1-CD2 3.86Å; V68-F72 HydrophobicContact CG1-CE2 3.77Å; V68-F72 VanDerWaalsContact O-CD2 3.26Å; V68-F72 WeakPolarHBondContact O-CD2 3.14Å; V68-F72 PolarHBondContact O-N 2.84Å; V68-F72 VanDerWaalsContact O-N 3.12Å; K69-F72 PolarHBondContact O-N 3.36Å; F72-E76 PolarHBondContact O-N 3.01Å
73	I	46	Very low	43.9	Very low	57 Å²	57	91 Å²	91	29%	0.292	44%	0.437	S	S	.	.	H	α-helix	trans	-74.6	-37.8	-179.3	-66.3	171.9	0	0	0	112.3	K69 E75 E76 K77	K69-I73 HydrophobicContact CD-CD1 4.4Å; K69-I73 HydrophobicContact CG-CD1 3.58Å; K69-I73 HydrophobicContact CG-CG1 4.4Å; K69-I73 WeakPolarHBondContact O-CB 3.18Å; K69-I73 WeakPolarHBondContact O-CG1 3.37Å; K69-I73 PolarHBondContact O-N 2.99Å; I73-E75 VanDerWaalsContact C-N 3.3Å; I73-E75 PolarHBondContact O-N 2.87Å; I73-E76 WeakPolarHBondContact O-CB 3.35Å; I73-E76 PolarHBondContact O-N 3.36Å; I73-K77 PolarHBondContact O-N 3.4Å
74	K	49.9	Very low	43.7	Very low	131 Å²	131	90 Å²	90	57%	0.57	44%	0.435	S	S	*	.	H	α-helix	trans	-65.3	-37.2	175.4	-78.9	175.1	-178.7	167.2	0	110.8	D70 K77 I78	D70-K74 WeakPolarHBondContact O-CB 3.28Å; D70-K74 VanDerWaalsContact O-CG 3.22Å; D70-K74 WeakPolarHBondContact O-CG 3.32Å; D70-K74 PolarHBondContact O-N 3.48Å; K74-K77 PolarHBondContact O-N 2.83Å; K74-I78 VanDerWaalsContact O-CG1 3.27Å; K74-I78 WeakPolarHBondContact O-CG1 3.33Å; K74-I78 PolarHBondContact O-N 3.19Å
75	E	46.1	Very low	43.5	Very low	31 Å²	31	91.3 Å²	91.3	15%	0.145	45%	0.45	C	S	.	.	H	α-helix	trans	-65.3	-40.1	171.4	-80.3	-161.1	141.3	0	0	112.8	H24 C71 I73 K77 I78 F79 F124	H24-E75 IonicContact CD2-OE2 3.04Å; H24-E75 IonicContact CE1-OE2 3.01Å; H24-E75 PolarHBondContact CE1-OE2 3.38Å; H24-E75 VanDerWaalsContact CE1-OE2 3.29Å; H24-E75 IonicContact NE2-OE1 3.36Å; H24-E75 IonicContact NE2-OE2 3.35Å; H24-E75 PolarHBondContact NE2-OE2 3.04Å; C71-E75 PolarHBondContact O-N 3.25Å; C71-E75 VanDerWaalsContact O-N 3.15Å; I73-E75 VanDerWaalsContact C-N 3.3Å; I73-E75 PolarHBondContact O-N 2.87Å; E75-K77 VanDerWaalsContact C-N 3.3Å; E75-K77 PolarHBondContact O-N 3.1Å; E75-I78 PolarHBondContact O-N 3.25Å; E75-I78 VanDerWaalsContact O-N 3.11Å; E75-F79 WeakPolarHBondContact O-CB 3.09Å; E75-F79 WeakPolarHBondContact O-CD2 3.25Å; E75-F79 PolarHBondContact O-N 3.24Å; E75-F124 HydrophobicContact CG-CE1 3.75Å; E75-F124 HydrophobicContact CG-CZ 3.87Å; E75-F124 WeakPolarHBondContact OE1-CE1 3.34Å; E75-F124 WeakPolarHBondContact OE1-CZ 3.4Å; E75-F124 WeakPolarHBondContact OE2-CZ 3.25Å
76	E	42.4	Very low	43.7	Very low	71 Å²	71	95 Å²	95	33%	0.332	47%	0.467	S	S	.	.	H	α-helix	trans	-56.9	-45.1	173.4	-167.5	174.1	-155	0	0	111.1	F72 I73 I78 F79 E80	F72-E76 PolarHBondContact O-N 3.01Å; I73-E76 WeakPolarHBondContact O-CB 3.35Å; I73-E76 PolarHBondContact O-N 3.36Å; E76-I78 PolarHBondContact O-N 3.48Å; E76-F79 PolarHBondContact O-N 3.42Å; E76-E80 WeakPolarHBondContact O-CB 3.31Å; E76-E80 WeakPolarHBondContact O-CG 3.26Å; E76-E80 PolarHBondContact O-N 3.15Å
77	K	42.5	Very low	43.6	Very low	129 Å²	129	99 Å²	99	56%	0.561	48%	0.484	S	S	*	.	H	α-helix	trans	-65.9	-32.2	174.6	-70.6	-179.8	-179.8	177.8	0	113.7	I73 K74 E75 R81	I73-K77 PolarHBondContact O-N 3.4Å; K74-K77 PolarHBondContact O-N 2.83Å; E75-K77 VanDerWaalsContact C-N 3.3Å; E75-K77 PolarHBondContact O-N 3.1Å; K77-R81 WeakPolarHBondContact O-CB 3.12Å; K77-R81 VanDerWaalsContact O-CG 3.28Å; K77-R81 WeakPolarHBondContact O-CG 3.31Å; K77-R81 PolarHBondContact O-N 3.38Å; K77-R81 VanDerWaalsContact O-N 3.08Å
78	I	40.6	Very low	43.5	Very low	97 Å²	97	104 Å²	104	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-71.8	-38.1	174	-69.5	164.9	0	0	0	110.7	K74 E75 E76 K82	K74-I78 VanDerWaalsContact O-CG1 3.27Å; K74-I78 WeakPolarHBondContact O-CG1 3.33Å; K74-I78 PolarHBondContact O-N 3.19Å; E75-I78 PolarHBondContact O-N 3.25Å; E75-I78 VanDerWaalsContact O-N 3.11Å; E76-I78 PolarHBondContact O-N 3.48Å; I78-K82 PolarHBondContact O-N 3.49Å
79	F	36.3	Very low	44	Very low	84 Å²	84	111.3 Å²	111.3	37%	0.368	54%	0.541	S	S	.	.	H	α-helix	trans	-69.8	-38.9	175	-94.8	-81.8	0	0	0	112.5	E75 E76 K82 K83	E75-F79 WeakPolarHBondContact O-CB 3.09Å; E75-F79 WeakPolarHBondContact O-CD2 3.25Å; E75-F79 PolarHBondContact O-N 3.24Å; E76-F79 PolarHBondContact O-N 3.42Å; F79-K82 PolarHBondContact O-N 2.92Å; F79-K83 PolarHBondContact O-N 2.89Å
80	E	40.4	Very low	44.5	Very low	117 Å²	117	114 Å²	114	55%	0.547	56%	0.56	S	S	.	*	H	α-helix	trans	-65.5	-38.5	174	-76	-178.3	158.5	0	0	111.9	E76 K82 K83	E76-E80 WeakPolarHBondContact O-CB 3.31Å; E76-E80 WeakPolarHBondContact O-CG 3.26Å; E76-E80 PolarHBondContact O-N 3.15Å; E80-K82 PolarHBondContact O-N 2.96Å; E80-K83 WeakPolarHBondContact O-CB 3.49Å; E80-K83 PolarHBondContact O-N 3.37Å
81	R	39.1	Very low	44.6	Very low	210 Å²	210	114.3 Å²	114.3	79%	0.792	57%	0.567	S	S	*	*	H	α-helix	trans	-66.1	-18.7	173.2	-77	177.6	178.3	-170.1	-0.7	114.1	K77 S84	K77-R81 WeakPolarHBondContact O-CB 3.12Å; K77-R81 VanDerWaalsContact O-CG 3.28Å; K77-R81 WeakPolarHBondContact O-CG 3.31Å; K77-R81 PolarHBondContact O-N 3.38Å; K77-R81 VanDerWaalsContact O-N 3.08Å; R81-S84 PolarHBondContact O-OG 3.48Å
82	K	45.7	Very low	44.8	Very low	160 Å²	160	117 Å²	117	70%	0.696	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-9.1	170.2	-73.6	-176	177.4	177.3	0	113.3	I78 F79 E80	I78-K82 PolarHBondContact O-N 3.49Å; F79-K82 PolarHBondContact O-N 2.92Å; E80-K82 PolarHBondContact O-N 2.96Å
83	K	44.8	Very low	44.9	Very low	127 Å²	127	119.6 Å²	119.6	55%	0.552	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-7.8	-179.9	-90	-171.2	169.2	-166.3	0	114.7	F79 E80 S85 K86	F79-K83 PolarHBondContact O-N 2.89Å; E80-K83 WeakPolarHBondContact O-CB 3.49Å; E80-K83 PolarHBondContact O-N 3.37Å; K83-S85 PolarHBondContact O-N 3.41Å; K83-K86 PolarHBondContact O-N 3.41Å
84	S	40	Very low	44.9	Very low	110 Å²	110	121.4 Å²	121.4	77%	0.769	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	17.7	176.8	48.3	0	0	0	0	114.9	R81	R81-S84 PolarHBondContact O-OG 3.48Å
85	S	45.7	Very low	44.6	Very low	98 Å²	98	122.7 Å²	122.7	69%	0.685	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.9	5.5	179.7	38.2	0	0	0	0	115.1	K83	K83-S85 PolarHBondContact O-N 3.41Å
86	K	43.2	Very low	44.5	Very low	171 Å²	171	127.5 Å²	127.5	74%	0.743	66%	0.655	S	S	*	*	S	Bend	trans	-147	131.8	170.1	-70.9	-168.3	177.8	-176.9	0	111.7	K83	K83-K86 PolarHBondContact O-N 3.41Å
87	N	44.6	Very low	44.7	Very low	151 Å²	151	127.7 Å²	127.7	81%	0.807	66%	0.655	S	S	*	*			trans	-44.6	158.6	-178.6	-71.9	-31.5	0	0	0	114.9	E89	N87-E89 VanDerWaalsContact C-N 3.28Å; N87-E89 PolarHBondContact O-N 3.4Å
88	N	42.2	Very low	45.1	Very low	173 Å²	173	124.4 Å²	124.4	93%	0.925	65%	0.646	S	S	*	*			trans	-39.4	82.1	163.8	-79.3	-21.1	0	0	0	112.9	D90	N88-D90 PolarHBondContact O-N 3.16Å
89	E	52.2	Low	45.3	Very low	164 Å²	164	126.8 Å²	126.8	77%	0.766	66%	0.655	S	S	*	*			trans	-82	117.2	168.2	-82.7	177.6	174	0	0	108.5	N87	N87-E89 VanDerWaalsContact C-N 3.28Å; N87-E89 PolarHBondContact O-N 3.4Å
90	D	53.3	Low	45.9	Very low	138 Å²	138	130.2 Å²	130.2	74%	0.738	67%	0.672	S	S	*	*			trans	-36.4	133.8	170	-85.5	-43.1	0	0	0	111.5	N88 T92	N88-D90 PolarHBondContact O-N 3.16Å; D90-T92 HydrophobicContact CB-CG2 4.4Å; D90-T92 PolarHBondContact O-N 3.02Å; D90-T92 PolarHBondContact O-OG1 3.48Å
91	C	51.6	Low	46	Very low	80 Å²	80	127.9 Å²	127.9	54%	0.541	66%	0.664	S	S	.	*			trans	-58.2	90.6	162.1	161.1	0	0	0	0	108.4	C33	C33-C91 VanDerWaalsContact CA-SG 3.54Å; C33-C91 HydrophobicContact CB-CB 4.13Å; C33-C91 WeakPolarHBondContact CB-SG 3.48Å; C33-C91 WeakPolarHBondContact SG-CB 2.94Å; C33-C91 CovalentContact SG-SG 2Å; C33-C91 PolarHBondContact SG-SG 3.47Å
92	T	50.4	Low	46.1	Very low	112 Å²	112	122 Å²	122	69%	0.687	65%	0.647	S	S	*	*			trans	-108.6	108	168.9	33.7	0	0	0	0	106.1	D90 S94	D90-T92 HydrophobicContact CB-CG2 4.4Å; D90-T92 PolarHBondContact O-N 3.02Å; D90-T92 PolarHBondContact O-OG1 3.48Å; T92-S94 PolarHBondContact O-N 3.25Å
93	L	46.7	Very low	46	Very low	101 Å²	101	120.7 Å²	120.7	53%	0.529	64%	0.642	S	S	.	*			trans	-65	91	166.1	-80	162.5	0	0	0	106.4	Y30 E95	Y30-L93 HydrophobicContact CD2-CD2 4.21Å; L93-E95 PolarHBondContact O-N 3.45Å; L93-E95 VanDerWaalsContact O-N 3.16Å
94	S	45.2	Very low	46	Very low	94 Å²	94	116.3 Å²	116.3	66%	0.657	63%	0.629	S	S	*	*	S	Bend	trans	-70.2	-7.2	-175.3	59.9	0	0	0	0	113.4	T92	T92-S94 PolarHBondContact O-N 3.25Å
95	E	43.1	Very low	45.9	Very low	158 Å²	158	112.6 Å²	112.6	74%	0.738	60%	0.6	S	S	*	*	S	Bend	trans	-143.2	116.6	175	-70.1	176.3	169.4	0	0	108	L93 F97	L93-E95 PolarHBondContact O-N 3.45Å; L93-E95 VanDerWaalsContact O-N 3.16Å; E95-F97 PolarHBondContact O-N 3.03Å; E95-F97 VanDerWaalsContact O-N 3.07Å
96	T	44	Very low	45.6	Very low	133 Å²	133	111.8 Å²	111.8	82%	0.816	59%	0.588	S	S	*	*			trans	-58	111.8	163.6	34.1	0	0	0	0	107.4	P98	T96-P98 WeakPolarHBondContact O-CD 3.5Å; T96-P98 VanDerWaalsContact O-N 3.08Å
97	F	46.1	Very low	45.4	Very low	75 Å²	75	110.6 Å²	110.6	33%	0.329	59%	0.585	S	S	.	*			trans	-61.3	109.9	174	-156.5	-87.8	0	0	0	107.6	A26 E95 E99 D101 I102	A26-F97 HydrophobicContact CB-CD2 4.49Å; A26-F97 HydrophobicContact CB-CE2 4.33Å; E95-F97 PolarHBondContact O-N 3.03Å; E95-F97 VanDerWaalsContact O-N 3.07Å; F97-E99 PolarHBondContact O-N 2.93Å; F97-D101 HydrophobicContact CD1-CB 4Å; F97-D101 HydrophobicContact CE1-CB 3.5Å; F97-D101 HydrophobicContact CZ-CB 3.85Å; F97-I102 HydrophobicContact CD1-CD1 4.01Å; F97-I102 HydrophobicContact CD1-CG1 3.38Å; F97-I102 HydrophobicContact CE1-CB 4.26Å; F97-I102 HydrophobicContact CE1-CD1 4.32Å; F97-I102 HydrophobicContact CE1-CG1 3.28Å
98	P	51.8	Low	45.1	Very low	60 Å²	60	107.5 Å²	107.5	39%	0.39	57%	0.568	S	S	.	*			trans	-59.8	133.6	178.3	-16.5	29.6	0	0	0	108	T96 E100 D101	T96-P98 WeakPolarHBondContact O-CD 3.5Å; T96-P98 VanDerWaalsContact O-N 3.08Å; P98-E100 HydrophobicContact CB-CB 4.29Å; P98-E100 PolarHBondContact O-N 3.34Å; P98-D101 VanDerWaalsContact CD-OD2 3.25Å; P98-D101 WeakPolarHBondContact CD-OD2 3.46Å; P98-D101 WeakPolarHBondContact O-CA 3.43Å; P98-D101 WeakPolarHBondContact O-CB 3.28Å; P98-D101 PolarHBondContact O-N 3.33Å
99	E	45.9	Very low	44.8	Very low	147 Å²	147	100 Å²	100	69%	0.687	53%	0.528	S	S	*	.	H	α-helix	trans	-52.2	-27.1	172.1	-102.8	-175.8	172.7	0	0	112	F97 D101 I102 K103	F97-E99 PolarHBondContact O-N 2.93Å; E99-D101 VanDerWaalsContact C-N 3.31Å; E99-D101 PolarHBondContact O-N 2.77Å; E99-I102 PolarHBondContact O-N 3.3Å; E99-K103 PolarHBondContact O-N 2.91Å
100	E	47.4	Very low	44.2	Very low	155 Å²	155	95 Å²	95	72%	0.724	51%	0.512	S	S	*	.	H	α-helix	trans	-60.6	-36.8	172.8	-59.4	-169.8	163.3	0	0	112.7	P98 I102 K103 A104	P98-E100 HydrophobicContact CB-CB 4.29Å; P98-E100 PolarHBondContact O-N 3.34Å; E100-I102 VanDerWaalsContact C-N 3.33Å; E100-K103 PolarHBondContact O-N 2.93Å; E100-A104 WeakPolarHBondContact O-CB 3.23Å; E100-A104 PolarHBondContact O-N 3.07Å
101	D	42.3	Very low	43.6	Very low	69 Å²	69	97.2 Å²	97.2	37%	0.369	51%	0.514	S	S	.	.	H	α-helix	trans	-72.3	-27	176.3	-82.5	-34.7	0	0	0	112.2	F97 P98 E99 L105	F97-D101 HydrophobicContact CD1-CB 4Å; F97-D101 HydrophobicContact CE1-CB 3.5Å; F97-D101 HydrophobicContact CZ-CB 3.85Å; P98-D101 VanDerWaalsContact CD-OD2 3.25Å; P98-D101 WeakPolarHBondContact CD-OD2 3.46Å; P98-D101 WeakPolarHBondContact O-CA 3.43Å; P98-D101 WeakPolarHBondContact O-CB 3.28Å; P98-D101 PolarHBondContact O-N 3.33Å; E99-D101 VanDerWaalsContact C-N 3.31Å; E99-D101 PolarHBondContact O-N 2.77Å; D101-L105 VanDerWaalsContact O-CB 3.25Å; D101-L105 WeakPolarHBondContact O-CB 3.29Å; D101-L105 PolarHBondContact O-N 3.47Å
102	I	41.1	Very low	43.2	Very low	85 Å²	85	100.1 Å²	100.1	44%	0.436	52%	0.518	S	S	.	.	H	α-helix	trans	-72.3	-45.7	172.7	-57.6	-179.8	0	0	0	109.2	F97 E99 E100 L105 D106	F97-I102 HydrophobicContact CD1-CD1 4.01Å; F97-I102 HydrophobicContact CD1-CG1 3.38Å; F97-I102 HydrophobicContact CE1-CB 4.26Å; F97-I102 HydrophobicContact CE1-CD1 4.32Å; F97-I102 HydrophobicContact CE1-CG1 3.28Å; E99-I102 PolarHBondContact O-N 3.3Å; E100-I102 VanDerWaalsContact C-N 3.33Å; I102-L105 WeakPolarHBondContact O-CA 3.31Å; I102-L105 WeakPolarHBondContact O-CB 3.42Å; I102-L105 PolarHBondContact O-N 3.41Å; I102-D106 PolarHBondContact O-N 2.84Å
103	K	45	Very low	42.7	Very low	134 Å²	134	97 Å²	97	58%	0.583	49%	0.494	S	S	*	.	H	α-helix	trans	-65	-38.7	175.7	-73.8	177.7	-180	167.7	0	112.2	E99 E100 L105 D106 Q107	E99-K103 PolarHBondContact O-N 2.91Å; E100-K103 PolarHBondContact O-N 2.93Å; K103-L105 VanDerWaalsContact C-N 3.33Å; K103-D106 WeakPolarHBondContact O-CB 3.32Å; K103-D106 PolarHBondContact O-N 3.36Å; K103-Q107 WeakPolarHBondContact O-CG 3.29Å; K103-Q107 PolarHBondContact O-N 3.3Å
104	A	44.7	Very low	42.5	Very low	35 Å²	35	95.1 Å²	95.1	29%	0.289	48%	0.484	S	S	.	.	H	α-helix	trans	-69.5	-33	173.9	0	0	0	0	0	111.5	E100 L108	E100-A104 WeakPolarHBondContact O-CB 3.23Å; E100-A104 PolarHBondContact O-N 3.07Å; A104-L108 WeakPolarHBondContact O-CB 3.39Å; A104-L108 PolarHBondContact O-N 3.09Å
105	L	38.2	Very low	42.3	Very low	32 Å²	32	94.9 Å²	94.9	17%	0.168	48%	0.475	C	S	.	.	H	α-helix	trans	-58.5	-57.4	167.6	-152.9	77.5	0	0	0	108.8	K23 D101 I102 K103 Q107 L108 I109	K23-L105 HydrophobicContact CD-CD1 3.56Å; D101-L105 VanDerWaalsContact O-CB 3.25Å; D101-L105 WeakPolarHBondContact O-CB 3.29Å; D101-L105 PolarHBondContact O-N 3.47Å; I102-L105 WeakPolarHBondContact O-CA 3.31Å; I102-L105 WeakPolarHBondContact O-CB 3.42Å; I102-L105 PolarHBondContact O-N 3.41Å; K103-L105 VanDerWaalsContact C-N 3.33Å; L105-Q107 VanDerWaalsContact C-N 3.29Å; L105-Q107 PolarHBondContact O-N 3.47Å; L105-L108 CarbonylContact O-C 3.5Å; L105-L108 WeakPolarHBondContact O-CA 3.3Å; L105-L108 WeakPolarHBondContact O-CB 3.49Å; L105-L108 PolarHBondContact O-N 3.44Å; L105-I109 HydrophobicContact CD2-CD1 4.37Å; L105-I109 HydrophobicContact CG-CD1 4.23Å; L105-I109 HydrophobicContact CG-CG1 4.35Å; L105-I109 WeakPolarHBondContact O-CG1 3.31Å; L105-I109 PolarHBondContact O-N 3.44Å
106	D	38	Very low	42.4	Very low	81 Å²	81	87.7 Å²	87.7	43%	0.433	44%	0.442	S	S	.	.	H	α-helix	trans	-52.4	-41.6	179.3	-97.6	-1.8	0	0	0	113.3	I102 K103 I109 S110	I102-D106 PolarHBondContact O-N 2.84Å; K103-D106 WeakPolarHBondContact O-CB 3.32Å; K103-D106 PolarHBondContact O-N 3.36Å; D106-I109 PolarHBondContact O-N 3.36Å; D106-S110 WeakPolarHBondContact O-CB 3.43Å; D106-S110 PolarHBondContact O-N 2.77Å
107	Q	40	Very low	42.6	Very low	145 Å²	145	85.4 Å²	85.4	68%	0.678	42%	0.418	S	S	*	.	H	α-helix	trans	-71.1	-36	176.2	-72.3	-178.4	-0.5	0	0	113	K103 L105 I109	K103-Q107 WeakPolarHBondContact O-CG 3.29Å; K103-Q107 PolarHBondContact O-N 3.3Å; L105-Q107 VanDerWaalsContact C-N 3.29Å; L105-Q107 PolarHBondContact O-N 3.47Å; Q107-I109 VanDerWaalsContact C-N 3.32Å
108	L	38.4	Very low	42.7	Very low	86 Å²	86	85.9 Å²	85.9	45%	0.45	42%	0.418	S	S	.	.	H	α-helix	trans	-67.2	-35.6	170.1	-112.2	104	0	0	0	111.4	A104 L105 K112 Y113 L116	A104-L108 WeakPolarHBondContact O-CB 3.39Å; A104-L108 PolarHBondContact O-N 3.09Å; L105-L108 CarbonylContact O-C 3.5Å; L105-L108 WeakPolarHBondContact O-CA 3.3Å; L105-L108 WeakPolarHBondContact O-CB 3.49Å; L105-L108 PolarHBondContact O-N 3.44Å; L108-K112 PolarHBondContact O-N 3.35Å; L108-Y113 WeakPolarHBondContact O-CD2 3.4Å; L108-L116 HydrophobicContact CD2-CD1 4Å
109	I	35.8	Very low	42.3	Very low	15 Å²	15	84.9 Å²	84.9	8%	0.077	41%	0.406	C	S	.	.	H	α-helix	trans	-60.7	-46.3	175.1	-45.5	-146.1	0	0	0	111	Q53 L105 D106 Q107 K111 Y113	Q53-I109 HydrophobicContact CG-CG2 3.89Å; L105-I109 HydrophobicContact CD2-CD1 4.37Å; L105-I109 HydrophobicContact CG-CD1 4.23Å; L105-I109 HydrophobicContact CG-CG1 4.35Å; L105-I109 WeakPolarHBondContact O-CG1 3.31Å; L105-I109 PolarHBondContact O-N 3.44Å; D106-I109 PolarHBondContact O-N 3.36Å; Q107-I109 VanDerWaalsContact C-N 3.32Å; I109-K111 VanDerWaalsContact C-N 3.34Å; I109-K111 PolarHBondContact O-N 3.3Å; I109-Y113 HydrophobicContact CB-CD2 4.07Å; I109-Y113 HydrophobicContact CB-CE1 4.34Å; I109-Y113 HydrophobicContact CB-CE2 3.79Å; I109-Y113 HydrophobicContact CB-CG 4.39Å; I109-Y113 HydrophobicContact CD1-CE1 3.87Å; I109-Y113 HydrophobicContact CD1-CE2 4.19Å; I109-Y113 VanDerWaalsContact CD1-CZ 3.48Å; I109-Y113 WeakPolarHBondContact CD1-OH 3.09Å; I109-Y113 HydrophobicContact CG1-CD2 4.33Å; I109-Y113 HydrophobicContact CG1-CE1 4.07Å; I109-Y113 HydrophobicContact CG1-CE2 3.55Å; I109-Y113 VanDerWaalsContact CG1-OH 3.31Å; I109-Y113 WeakPolarHBondContact CG1-OH 3.2Å; I109-Y113 HydrophobicContact CG2-CD1 3.81Å; I109-Y113 HydrophobicContact CG2-CD2 4.1Å; I109-Y113 HydrophobicContact CG2-CE1 3.82Å; I109-Y113 HydrophobicContact CG2-CE2 4.09Å; I109-Y113 HydrophobicContact CG2-CG 3.91Å
110	S	39	Very low	42.5	Very low	61 Å²	61	80.1 Å²	80.1	43%	0.427	39%	0.385	S	S	.	.	H	α-helix	trans	-69	-21.3	-175	175	0	0	0	0	115.3	D106	D106-S110 WeakPolarHBondContact O-CB 3.43Å; D106-S110 PolarHBondContact O-N 2.77Å
111	K	41.5	Very low	42.4	Very low	183 Å²	183	78.9 Å²	78.9	80%	0.796	38%	0.378	S	S	*	.	H	α-helix	trans	-116.8	-20.5	-169.9	-82.6	-175.7	176	177.7	0	116.9	I109	I109-K111 VanDerWaalsContact C-N 3.34Å; I109-K111 PolarHBondContact O-N 3.3Å
112	K	41.9	Very low	42.4	Very low	142 Å²	142	76.7 Å²	76.7	62%	0.617	37%	0.369	S	S	*	.	H	α-helix	trans	-145.9	17.2	-168.5	-64.5	-167.4	176.6	-174	0	116.1	L108 D114 I115 L116	L108-K112 PolarHBondContact O-N 3.35Å; K112-D114 PolarHBondContact O-N 2.97Å; K112-I115 PolarHBondContact O-N 3.25Å; K112-L116 PolarHBondContact O-N 2.86Å
113	Y	40.5	Very low	42.5	Very low	46 Å²	46	75 Å²	75	18%	0.18	36%	0.36	C	S	.	.	H	α-helix	trans	-74.7	-20.4	-165.7	-112	-126.1	0	0	0	117.6	M50 L108 I109 I115 L116 W117	M50-Y113 HydrophobicContact CE-CD1 4.17Å; M50-Y113 HydrophobicContact CE-CE1 4.4Å; M50-Y113 HydrophobicContact SD-CD1 3.88Å; M50-Y113 HydrophobicContact SD-CE1 3.85Å; L108-Y113 WeakPolarHBondContact O-CD2 3.4Å; I109-Y113 HydrophobicContact CB-CD2 4.07Å; I109-Y113 HydrophobicContact CB-CE1 4.34Å; I109-Y113 HydrophobicContact CB-CE2 3.79Å; I109-Y113 HydrophobicContact CB-CG 4.39Å; I109-Y113 HydrophobicContact CD1-CE1 3.87Å; I109-Y113 HydrophobicContact CD1-CE2 4.19Å; I109-Y113 VanDerWaalsContact CD1-CZ 3.48Å; I109-Y113 WeakPolarHBondContact CD1-OH 3.09Å; I109-Y113 HydrophobicContact CG1-CD2 4.33Å; I109-Y113 HydrophobicContact CG1-CE1 4.07Å; I109-Y113 HydrophobicContact CG1-CE2 3.55Å; I109-Y113 VanDerWaalsContact CG1-OH 3.31Å; I109-Y113 WeakPolarHBondContact CG1-OH 3.2Å; I109-Y113 HydrophobicContact CG2-CD1 3.81Å; I109-Y113 HydrophobicContact CG2-CD2 4.1Å; I109-Y113 HydrophobicContact CG2-CE1 3.82Å; I109-Y113 HydrophobicContact CG2-CE2 4.09Å; I109-Y113 HydrophobicContact CG2-CG 3.91Å; Y113-I115 VanDerWaalsContact C-N 3.25Å; Y113-I115 PolarHBondContact O-N 3.47Å; Y113-L116 HydrophobicContact CD2-CB 4.19Å; Y113-L116 HydrophobicContact CD2-CD1 3.49Å; Y113-L116 VanDerWaalsContact CD2-CD1 3.49Å; Y113-L116 HydrophobicContact CD2-CG 4.45Å; Y113-L116 HydrophobicContact CE2-CD1 3.64Å; Y113-L116 PolarHBondContact O-N 3.33Å; Y113-W117 VanDerWaalsContact O-CB 3.31Å; Y113-W117 WeakPolarHBondContact O-CB 3.37Å; Y113-W117 PolarHBondContact O-N 3.19Å
114	D	42.8	Very low	42.4	Very low	61 Å²	61	72 Å²	72	33%	0.326	35%	0.348	S	S	.	.	H	α-helix	trans	-63.7	-38.4	174.1	-164	33	0	0	0	110.5	L59 K112 R118	L59-D114 HydrophobicContact CD1-CB 4.49Å; K112-D114 PolarHBondContact O-N 2.97Å; D114-R118 VanDerWaalsContact O-CB 3.25Å; D114-R118 WeakPolarHBondContact O-CB 3.41Å; D114-R118 VanDerWaalsContact O-CD 3.26Å; D114-R118 WeakPolarHBondContact O-CD 3.22Å; D114-R118 WeakPolarHBondContact O-CG 3.41Å; D114-R118 PolarHBondContact O-N 3.4Å; D114-R118 IonicContact OD1-NE 3.82Å; D114-R118 PolarHBondContact OD1-NE 3.47Å; D114-R118 IonicContact OD2-CZ 2.7Å; D114-R118 IonicContact OD2-NE 3.29Å; D114-R118 PolarHBondContact OD2-NE 2.8Å; D114-R118 IonicContact OD2-NH2 3.91Å; D114-R118 PolarHBondContact OD2-NH2 3Å
115	I	41.4	Very low	42.3	Very low	90 Å²	90	74.9 Å²	74.9	46%	0.462	36%	0.358	S	S	.	.	H	α-helix	trans	-68	-48	174.5	-62.8	172	0	0	0	110.2	K112 Y113 W117 R118 W119	K112-I115 PolarHBondContact O-N 3.25Å; Y113-I115 VanDerWaalsContact C-N 3.25Å; Y113-I115 PolarHBondContact O-N 3.47Å; I115-W117 VanDerWaalsContact C-N 3.33Å; I115-W117 PolarHBondContact O-N 2.85Å; I115-R118 PolarHBondContact O-N 3.2Å; I115-W119 HydrophobicContact CG2-CG 4.43Å; I115-W119 HydrophobicContact CG2-CZ2 4.43Å; I115-W119 WeakPolarHBondContact O-CB 3.25Å; I115-W119 VanDerWaalsContact O-CG 3.25Å; I115-W119 PolarHBondContact O-N 3.3Å
116	L	45.6	Very low	42.1	Very low	7 Å²	7	79 Å²	79	4%	0.037	37%	0.372	C	S	.	.	H	α-helix	trans	-65	-34.4	-178	-69.7	161.6	0	0	0	112.7	M16 L20 L108 K112 Y113 W119 N120	M16-L116 HydrophobicContact CE-CD2 3.6Å; M16-L116 HydrophobicContact CE-CG 4.38Å; L20-L116 HydrophobicContact CD1-CD2 3.63Å; L20-L116 HydrophobicContact CD2-CD2 4.09Å; L20-L116 HydrophobicContact CG-CD2 4.09Å; L108-L116 HydrophobicContact CD2-CD1 4Å; K112-L116 PolarHBondContact O-N 2.86Å; Y113-L116 HydrophobicContact CD2-CB 4.19Å; Y113-L116 HydrophobicContact CD2-CD1 3.49Å; Y113-L116 VanDerWaalsContact CD2-CD1 3.49Å; Y113-L116 HydrophobicContact CD2-CG 4.45Å; Y113-L116 HydrophobicContact CE2-CD1 3.64Å; Y113-L116 PolarHBondContact O-N 3.33Å; L116-W119 WeakPolarHBondContact O-CB 3.43Å; L116-N120 WeakPolarHBondContact O-CB 3.5Å; L116-N120 PolarHBondContact O-N 2.95Å
117	W	47	Very low	42	Very low	84 Å²	84	82.8 Å²	82.8	32%	0.318	39%	0.387	S	S	.	.	H	α-helix	trans	-73.8	-44.9	174.6	177.4	-111.7	0	0	0	112.5	F62 V68 Y113 I115 W119 N120 K121	F62-W117 HydrophobicContact CE2-CH2 4.15Å; F62-W117 AromaticContact CE2-CZ2 3.63Å; F62-W117 HydrophobicContact CE2-CZ2 3.63Å; F62-W117 HydrophobicContact CZ-CH2 4.14Å; F62-W117 AromaticContact CZ-CZ2 3.78Å; F62-W117 HydrophobicContact CZ-CZ2 3.78Å; V68-W117 HydrophobicContact CG2-CH2 4.08Å; Y113-W117 VanDerWaalsContact O-CB 3.31Å; Y113-W117 WeakPolarHBondContact O-CB 3.37Å; Y113-W117 PolarHBondContact O-N 3.19Å; I115-W117 VanDerWaalsContact C-N 3.33Å; I115-W117 PolarHBondContact O-N 2.85Å; W117-W119 PolarHBondContact O-N 3.01Å; W117-N120 PolarHBondContact O-N 2.93Å; W117-K121 WeakPolarHBondContact O-CB 3.48Å; W117-K121 PolarHBondContact O-N 2.97Å
118	R	47.9	Very low	41.8	Very low	86 Å²	86	84.9 Å²	84.9	33%	0.325	40%	0.395	S	S	.	.	H	α-helix	trans	-56.8	-35.3	171.5	-74.3	166.3	179.3	-130.5	11.2	111.1	D114 I115 A122 M143	D114-R118 VanDerWaalsContact O-CB 3.25Å; D114-R118 WeakPolarHBondContact O-CB 3.41Å; D114-R118 VanDerWaalsContact O-CD 3.26Å; D114-R118 WeakPolarHBondContact O-CD 3.22Å; D114-R118 WeakPolarHBondContact O-CG 3.41Å; D114-R118 PolarHBondContact O-N 3.4Å; D114-R118 IonicContact OD1-NE 3.82Å; D114-R118 PolarHBondContact OD1-NE 3.47Å; D114-R118 IonicContact OD2-CZ 2.7Å; D114-R118 IonicContact OD2-NE 3.29Å; D114-R118 PolarHBondContact OD2-NE 2.8Å; D114-R118 IonicContact OD2-NH2 3.91Å; D114-R118 PolarHBondContact OD2-NH2 3Å; I115-R118 PolarHBondContact O-N 3.2Å; R118-A122 WeakPolarHBondContact O-CB 3.47Å; R118-A122 PolarHBondContact O-N 2.86Å; R118-M143 HydrophobicContact CB-CE 3.82Å; R118-M143 HydrophobicContact CG-CE 3.49Å; R118-M143 VanDerWaalsContact CG-CE 3.49Å; R118-M143 VanDerWaalsContact NH1-CE 3.32Å
119	W	44.8	Very low	41.4	Very low	38 Å²	38	82.7 Å²	82.7	14%	0.144	39%	0.389	C	S	.	.	H	α-helix	trans	-74.5	-41.3	175.3	-84.5	52.7	0	0	0	114.1	I13 M16 I115 L116 W117 K121 A122 L123	I13-W119 HydrophobicContact CB-CH2 3.32Å; I13-W119 HydrophobicContact CB-CZ2 3.91Å; I13-W119 HydrophobicContact CB-CZ3 3.67Å; I13-W119 HydrophobicContact CD1-CH2 3.98Å; I13-W119 HydrophobicContact CD1-CZ2 3.58Å; I13-W119 HydrophobicContact CG1-CH2 3.22Å; I13-W119 HydrophobicContact CG1-CZ2 3.34Å; I13-W119 HydrophobicContact CG1-CZ3 4.09Å; I13-W119 HydrophobicContact CG2-CD2 4.44Å; I13-W119 HydrophobicContact CG2-CE3 3.84Å; I13-W119 HydrophobicContact CG2-CH2 3.38Å; I13-W119 HydrophobicContact CG2-CZ2 3.82Å; I13-W119 HydrophobicContact CG2-CZ3 3.29Å; I13-W119 WeakPolarHBondContact O-CZ3 3.47Å; M16-W119 HydrophobicContact CB-CH2 4.24Å; M16-W119 HydrophobicContact CB-CZ3 3.85Å; M16-W119 HydrophobicContact SD-CH2 4.24Å; I115-W119 HydrophobicContact CG2-CG 4.43Å; I115-W119 HydrophobicContact CG2-CZ2 4.43Å; I115-W119 WeakPolarHBondContact O-CB 3.25Å; I115-W119 VanDerWaalsContact O-CG 3.25Å; I115-W119 PolarHBondContact O-N 3.3Å; L116-W119 WeakPolarHBondContact O-CB 3.43Å; W117-W119 PolarHBondContact O-N 3.01Å; W119-K121 VanDerWaalsContact C-N 3.3Å; W119-A122 CarbonylContact O-C 3.54Å; W119-A122 PolarHBondContact O-N 3.42Å; W119-L123 VanDerWaalsContact O-CB 3.23Å; W119-L123 WeakPolarHBondContact O-CB 3.24Å; W119-L123 WeakPolarHBondContact O-CG 3.36Å; W119-L123 PolarHBondContact O-N 3.38Å
120	N	48.6	Very low	41.3	Very low	47 Å²	47	85.8 Å²	85.8	25%	0.251	41%	0.412	S	S	.	.	H	α-helix	trans	-65.6	-39.6	176.3	-137.6	-18.7	0	0	0	110.1	L116 W117 L123 F124	L116-N120 WeakPolarHBondContact O-CB 3.5Å; L116-N120 PolarHBondContact O-N 2.95Å; W117-N120 PolarHBondContact O-N 2.93Å; N120-L123 PolarHBondContact O-N 2.89Å; N120-F124 WeakPolarHBondContact O-CB 3.18Å; N120-F124 WeakPolarHBondContact O-CD2 3.23Å; N120-F124 PolarHBondContact O-N 3.33Å
121	K	46.2	Very low	41.2	Very low	130 Å²	130	94.2 Å²	94.2	57%	0.565	43%	0.434	S	S	*	.	H	α-helix	trans	-63.4	-41.5	170.7	-170.6	174.7	-177.1	175.7	0	112.2	W117 W119 N125	W117-K121 WeakPolarHBondContact O-CB 3.48Å; W117-K121 PolarHBondContact O-N 2.97Å; W119-K121 VanDerWaalsContact C-N 3.3Å; K121-N125 WeakPolarHBondContact O-CB 3.42Å; K121-N125 PolarHBondContact O-N 3.44Å; K121-N125 PolarHBondContact O-ND2 3.39Å
122	A	42.3	Very low	41	Very low	22 Å²	22	90.3 Å²	90.3	18%	0.182	42%	0.422	C	S	.	.	H	α-helix	trans	-68.2	-36.7	175.6	0	0	0	0	0	112.3	R118 W119 N125 Y126 F139	R118-A122 WeakPolarHBondContact O-CB 3.47Å; R118-A122 PolarHBondContact O-N 2.86Å; W119-A122 CarbonylContact O-C 3.54Å; W119-A122 PolarHBondContact O-N 3.42Å; A122-N125 CarbonylContact O-C 3.47Å; A122-N125 PolarHBondContact O-N 2.88Å; A122-Y126 WeakPolarHBondContact O-CA 3.19Å; A122-Y126 WeakPolarHBondContact O-CB 3.38Å; A122-Y126 PolarHBondContact O-N 3.45Å; A122-F139 HydrophobicContact CB-CE1 4.35Å
123	L	43.4	Very low	40.5	Very low	50 Å²	50	89.9 Å²	89.9	26%	0.262	43%	0.425	S	S	.	.	H	α-helix	trans	-74.3	-37.5	178.3	-83.4	160.6	0	0	0	112.5	W119 N120 Y126 E127	W119-L123 VanDerWaalsContact O-CB 3.23Å; W119-L123 WeakPolarHBondContact O-CB 3.24Å; W119-L123 WeakPolarHBondContact O-CG 3.36Å; W119-L123 PolarHBondContact O-N 3.38Å; N120-L123 PolarHBondContact O-N 2.89Å; L123-Y126 HydrophobicContact CD2-CD1 4.2Å; L123-Y126 WeakPolarHBondContact O-CA 3.37Å; L123-Y126 VanDerWaalsContact O-CB 3.24Å; L123-Y126 WeakPolarHBondContact O-CB 3.39Å; L123-Y126 PolarHBondContact O-N 2.92Å; L123-E127 PolarHBondContact O-N 2.99Å
124	F	43.6	Very low	40.3	Very low	72 Å²	72	96.3 Å²	96.3	32%	0.316	45%	0.454	S	S	.	.	H	α-helix	trans	-64.1	-42.8	169.1	-103.6	-97.1	0	0	0	111.5	E75 N120 Y126	E75-F124 HydrophobicContact CG-CE1 3.75Å; E75-F124 HydrophobicContact CG-CZ 3.87Å; E75-F124 WeakPolarHBondContact OE1-CE1 3.34Å; E75-F124 WeakPolarHBondContact OE1-CZ 3.4Å; E75-F124 WeakPolarHBondContact OE2-CZ 3.25Å; N120-F124 WeakPolarHBondContact O-CB 3.18Å; N120-F124 WeakPolarHBondContact O-CD2 3.23Å; N120-F124 PolarHBondContact O-N 3.33Å; F124-Y126 PolarHBondContact O-N 3.34Å
125	N	41.7	Very low	39.9	Very low	95 Å²	95	96.8 Å²	96.8	51%	0.508	46%	0.462	S	S	.	.	H	α-helix	trans	-67.9	-25.8	169.7	-74.8	-18.3	0	0	0	111.7	K121 A122 F128 A129	K121-N125 WeakPolarHBondContact O-CB 3.42Å; K121-N125 PolarHBondContact O-N 3.44Å; K121-N125 PolarHBondContact O-ND2 3.39Å; A122-N125 CarbonylContact O-C 3.47Å; A122-N125 PolarHBondContact O-N 2.88Å; N125-F128 CarbonylContact O-C 3.49Å; N125-F128 PolarHBondContact O-N 2.78Å; N125-A129 WeakPolarHBondContact O-CA 3.42Å; N125-A129 WeakPolarHBondContact O-CB 3.39Å; N125-A129 PolarHBondContact O-N 3.45Å
126	Y	33.1	Very low	39.6	Very low	118 Å²	118	93.9 Å²	93.9	46%	0.463	45%	0.449	S	S	.	.	H	α-helix	trans	-73.9	-40.4	-178.3	-177.5	-99.3	0	0	0	112.8	A122 L123 F124 F128 A129 S130 T136	A122-Y126 WeakPolarHBondContact O-CA 3.19Å; A122-Y126 WeakPolarHBondContact O-CB 3.38Å; A122-Y126 PolarHBondContact O-N 3.45Å; L123-Y126 HydrophobicContact CD2-CD1 4.2Å; L123-Y126 WeakPolarHBondContact O-CA 3.37Å; L123-Y126 VanDerWaalsContact O-CB 3.24Å; L123-Y126 WeakPolarHBondContact O-CB 3.39Å; L123-Y126 PolarHBondContact O-N 2.92Å; F124-Y126 PolarHBondContact O-N 3.34Å; Y126-F128 PolarHBondContact O-N 2.67Å; Y126-A129 PolarHBondContact O-N 3.5Å; Y126-S130 WeakPolarHBondContact O-CA 3.47Å; Y126-S130 WeakPolarHBondContact O-CB 3.37Å; Y126-S130 PolarHBondContact O-N 2.86Å; Y126-T136 HydrophobicContact CD2-CG2 3.75Å; Y126-T136 HydrophobicContact CE2-CG2 4.05Å
127	E	36.2	Very low	39.3	Very low	160 Å²	160	97.1 Å²	97.1	75%	0.748	47%	0.469	S	S	*	.	H	α-helix	trans	-65.5	-30.2	171	-93.4	-169.4	155	0	0	111.3	L123 S130	L123-E127 PolarHBondContact O-N 2.99Å; E127-S130 PolarHBondContact O-OG 3.31Å
128	F	35.4	Very low	39	Very low	190 Å²	190	99.7 Å²	99.7	83%	0.833	48%	0.479	S	S	*	.	H	α-helix	trans	-82.3	-28.3	174.9	-130.6	-92.7	0	0	0	114.2	N125 Y126	N125-F128 CarbonylContact O-C 3.49Å; N125-F128 PolarHBondContact O-N 2.78Å; Y126-F128 PolarHBondContact O-N 2.67Å
129	A	31.5	Very low	38.6	Very low	40 Å²	40	100.2 Å²	100.2	33%	0.331	48%	0.484	S	S	.	.	H	α-helix	trans	-110.6	7.2	-174.5	0	0	0	0	0	114	N125 Y126 R131 N132	N125-A129 WeakPolarHBondContact O-CA 3.42Å; N125-A129 WeakPolarHBondContact O-CB 3.39Å; N125-A129 PolarHBondContact O-N 3.45Å; Y126-A129 PolarHBondContact O-N 3.5Å; A129-R131 PolarHBondContact O-N 3.37Å; A129-N132 PolarHBondContact O-N 2.91Å
130	S	34	Very low	38.4	Very low	79 Å²	79	101.6 Å²	101.6	55%	0.552	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-5	175.3	56.5	0	0	0	0	114.5	Y126 E127 N132	Y126-S130 WeakPolarHBondContact O-CA 3.47Å; Y126-S130 WeakPolarHBondContact O-CB 3.37Å; Y126-S130 PolarHBondContact O-N 2.86Å; E127-S130 PolarHBondContact O-OG 3.31Å; S130-N132 VanDerWaalsContact C-N 3.35Å
131	R	37	Very low	37.9	Very low	238 Å²	238	105.2 Å²	105.2	90%	0.898	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-0.2	166.5	-65.9	-173.9	174.2	-172.7	-1.9	114.7	A129	A129-R131 PolarHBondContact O-N 3.37Å
132	N	35.6	Very low	37.6	Very low	102 Å²	102	104.5 Å²	104.5	55%	0.545	51%	0.506	S	S	.	.			trans	-147.6	70.6	-172.6	-118.9	-26.1	0	0	0	114.9	A129 S130 K134 S135	A129-N132 PolarHBondContact O-N 2.91Å; S130-N132 VanDerWaalsContact C-N 3.35Å; N132-K134 VanDerWaalsContact C-N 3.31Å; N132-K134 PolarHBondContact O-N 3.18Å; N132-S135 PolarHBondContact O-N 2.82Å
133	I	32.5	Very low	37.5	Very low	133 Å²	133	105.9 Å²	105.9	68%	0.682	51%	0.509	S	S	*	.	H	α-helix	trans	-51.4	-36.7	-178.6	-89.1	166.8	0	0	0	115.1	S135 T136 V137	I133-S135 PolarHBondContact O-N 3.41Å; I133-T136 PolarHBondContact O-N 3.06Å; I133-V137 WeakPolarHBondContact O-CG2 3.23Å; I133-V137 PolarHBondContact O-N 2.96Å
134	K	36.3	Very low	37.1	Very low	181 Å²	181	110.9 Å²	110.9	79%	0.787	53%	0.526	S	S	*	.	H	α-helix	trans	-65.1	-39.8	-178.3	-78.9	-176.9	176.5	178.5	0	112.7	N132 Y138	N132-K134 VanDerWaalsContact C-N 3.31Å; N132-K134 PolarHBondContact O-N 3.18Å; K134-Y138 WeakPolarHBondContact O-CB 3.37Å; K134-Y138 PolarHBondContact O-N 2.81Å; K134-Y138 VanDerWaalsContact O-N 3.15Å
135	S	33.2	Very low	36.9	Very low	71 Å²	71	113.7 Å²	113.7	50%	0.497	54%	0.544	S	S	.	.	H	α-helix	trans	-71.2	-34.6	-178.2	-58.4	0	0	0	0	112.1	N132 I133 F139	N132-S135 PolarHBondContact O-N 2.82Å; I133-S135 PolarHBondContact O-N 3.41Å; S135-F139 VanDerWaalsContact O-CB 3.29Å; S135-F139 WeakPolarHBondContact O-CB 3.32Å; S135-F139 PolarHBondContact O-N 3.31Å
136	T	37	Very low	36.4	Very low	29 Å²	29	115.3 Å²	115.3	18%	0.178	55%	0.552	C	S	.	*	H	α-helix	trans	-68.1	-44.8	177.6	-54.3	0	0	0	0	112	Y126 I133 F139 L140	Y126-T136 HydrophobicContact CD2-CG2 3.75Å; Y126-T136 HydrophobicContact CE2-CG2 4.05Å; I133-T136 PolarHBondContact O-N 3.06Å; T136-F139 PolarHBondContact O-N 2.92Å; T136-L140 HydrophobicContact CG2-CD1 4.09Å; T136-L140 WeakPolarHBondContact O-CB 3.31Å; T136-L140 VanDerWaalsContact O-CG 3.28Å; T136-L140 WeakPolarHBondContact O-CG 3.4Å; T136-L140 PolarHBondContact O-N 3.42Å
137	V	37.3	Very low	36.3	Very low	75 Å²	75	115.5 Å²	115.5	46%	0.455	59%	0.59	S	S	.	*	H	α-helix	trans	-63.4	-43.1	175.9	175	0	0	0	0	110.9	I133 F139 L140 Q141	I133-V137 WeakPolarHBondContact O-CG2 3.23Å; I133-V137 PolarHBondContact O-N 2.96Å; V137-F139 PolarHBondContact O-N 3.44Å; V137-L140 PolarHBondContact O-N 3.47Å; V137-Q141 PolarHBondContact O-N 3.29Å
138	Y	42.5	Very low	36.3	Very low	138 Å²	138	113.3 Å²	113.3	54%	0.541	58%	0.582	S	S	.	*	H	α-helix	trans	-61.8	-42.3	176.6	-176.2	-97.3	0	0	0	112.5	K134 Q141 K142	K134-Y138 WeakPolarHBondContact O-CB 3.37Å; K134-Y138 PolarHBondContact O-N 2.81Å; K134-Y138 VanDerWaalsContact O-N 3.15Å; Y138-Q141 PolarHBondContact O-N 3.38Å; Y138-K142 HydrophobicContact CE1-CD 3.98Å; Y138-K142 HydrophobicContact CE1-CG 4.47Å; Y138-K142 PolarHBondContact O-N 2.89Å; Y138-K142 VanDerWaalsContact OH-CE 3.32Å; Y138-K142 WeakPolarHBondContact OH-CE 3.41Å
139	F	39.7	Very low	36.3	Very low	97 Å²	97	109.3 Å²	109.3	43%	0.425	57%	0.569	S	S	.	*	H	α-helix	trans	-66.2	-43.9	177.6	-177.1	-98.1	0	0	0	112.1	A122 S135 T136 V137 Q141 K142 M143	A122-F139 HydrophobicContact CB-CE1 4.35Å; S135-F139 VanDerWaalsContact O-CB 3.29Å; S135-F139 WeakPolarHBondContact O-CB 3.32Å; S135-F139 PolarHBondContact O-N 3.31Å; T136-F139 PolarHBondContact O-N 2.92Å; V137-F139 PolarHBondContact O-N 3.44Å; F139-Q141 VanDerWaalsContact C-N 3.34Å; F139-Q141 PolarHBondContact O-N 3.43Å; F139-K142 PolarHBondContact O-N 3.07Å; F139-M143 HydrophobicContact CD1-CG 4.22Å; F139-M143 HydrophobicContact CE1-CG 3.85Å; F139-M143 HydrophobicContact CE2-CG 4.39Å; F139-M143 HydrophobicContact CZ-CE 4.43Å; F139-M143 HydrophobicContact CZ-CG 3.93Å; F139-M143 HydrophobicContact CZ-SD 4.17Å; F139-M143 VanDerWaalsContact O-CG 3.3Å; F139-M143 WeakPolarHBondContact O-CG 3.4Å; F139-M143 PolarHBondContact O-N 2.86Å
140	L	39	Very low	36.6	Very low	66 Å²	66	113.1 Å²	113.1	35%	0.346	58%	0.582	S	S	.	*	H	α-helix	trans	-63	-38.9	176.2	-71.3	169.8	0	0	0	112.1	T136 V137 M143 Y144	T136-L140 HydrophobicContact CG2-CD1 4.09Å; T136-L140 WeakPolarHBondContact O-CB 3.31Å; T136-L140 VanDerWaalsContact O-CG 3.28Å; T136-L140 WeakPolarHBondContact O-CG 3.4Å; T136-L140 PolarHBondContact O-N 3.42Å; V137-L140 PolarHBondContact O-N 3.47Å; L140-M143 PolarHBondContact O-N 2.92Å; L140-Y144 PolarHBondContact O-N 3.49Å; L140-Y144 VanDerWaalsContact O-N 3.09Å
141	Q	38.5	Very low	36.7	Very low	124 Å²	124	115.1 Å²	115.1	58%	0.579	58%	0.584	S	S	*	*	H	α-helix	trans	-63.6	-42.5	173	-82.3	178.5	-36.9	0	0	112.7	V137 Y138 F139 M143 Y144 N145	V137-Q141 PolarHBondContact O-N 3.29Å; Y138-Q141 PolarHBondContact O-N 3.38Å; F139-Q141 VanDerWaalsContact C-N 3.34Å; F139-Q141 PolarHBondContact O-N 3.43Å; Q141-M143 VanDerWaalsContact C-N 3.33Å; Q141-M143 PolarHBondContact O-N 3.24Å; Q141-Y144 PolarHBondContact O-N 2.71Å; Q141-N145 PolarHBondContact O-N 3.02Å
142	K	40.8	Very low	36.7	Very low	115 Å²	115	107.4 Å²	107.4	50%	0.5	56%	0.564	S	S	.	*	H	α-helix	trans	-63.7	-38.1	176.1	-94.9	-166.4	173.4	-176.6	0	112.8	Y138 F139 N145 L146	Y138-K142 HydrophobicContact CE1-CD 3.98Å; Y138-K142 HydrophobicContact CE1-CG 4.47Å; Y138-K142 PolarHBondContact O-N 2.89Å; Y138-K142 VanDerWaalsContact OH-CE 3.32Å; Y138-K142 WeakPolarHBondContact OH-CE 3.41Å; F139-K142 PolarHBondContact O-N 3.07Å; K142-N145 PolarHBondContact O-N 3.49Å; K142-L146 WeakPolarHBondContact O-CG 3.21Å
143	M	38.7	Very low	36.8	Very low	50 Å²	50	107.8 Å²	107.8	25%	0.246	57%	0.566	C	S	.	*	H	α-helix	trans	-73.3	-32.3	-178.8	-68.8	-68.7	-81.5	0	0	112.8	R118 F139 L140 Q141 N145 L146	R118-M143 HydrophobicContact CB-CE 3.82Å; R118-M143 HydrophobicContact CG-CE 3.49Å; R118-M143 VanDerWaalsContact CG-CE 3.49Å; R118-M143 VanDerWaalsContact NH1-CE 3.32Å; F139-M143 HydrophobicContact CD1-CG 4.22Å; F139-M143 HydrophobicContact CE1-CG 3.85Å; F139-M143 HydrophobicContact CE2-CG 4.39Å; F139-M143 HydrophobicContact CZ-CE 4.43Å; F139-M143 HydrophobicContact CZ-CG 3.93Å; F139-M143 HydrophobicContact CZ-SD 4.17Å; F139-M143 VanDerWaalsContact O-CG 3.3Å; F139-M143 WeakPolarHBondContact O-CG 3.4Å; F139-M143 PolarHBondContact O-N 2.86Å; L140-M143 PolarHBondContact O-N 2.92Å; Q141-M143 VanDerWaalsContact C-N 3.33Å; Q141-M143 PolarHBondContact O-N 3.24Å; M143-N145 VanDerWaalsContact C-N 3.32Å; M143-L146 PolarHBondContact O-N 3.4Å
144	Y	36.6	Very low	37.1	Very low	156 Å²	156	106 Å²	106	61%	0.612	56%	0.557	S	S	*	*	H	α-helix	trans	-68.3	-28.5	173.9	-169.9	-91	0	0	0	112.9	L9 L140 Q141	L9-Y144 HydrophobicContact CD1-CE2 4.48Å; L9-Y144 HydrophobicContact CD2-CD2 4.43Å; L9-Y144 HydrophobicContact CD2-CE2 4.11Å; L140-Y144 PolarHBondContact O-N 3.49Å; L140-Y144 VanDerWaalsContact O-N 3.09Å; Q141-Y144 PolarHBondContact O-N 2.71Å
145	N	37.7	Very low	37.2	Very low	131 Å²	131	100.2 Å²	100.2	70%	0.701	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.9	178.2	-72.8	-10.2	0	0	0	114.1	Q141 K142 M143	Q141-N145 PolarHBondContact O-N 3.02Å; K142-N145 PolarHBondContact O-N 3.49Å; M143-N145 VanDerWaalsContact C-N 3.32Å
146	L	32.5	Very low	37.5	Very low	128 Å²	128	102.7 Å²	102.7	67%	0.67	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	5.8	-177.3	-77.2	171.3	0	0	0	113.7	K142 M143	K142-L146 WeakPolarHBondContact O-CG 3.21Å; M143-L146 PolarHBondContact O-N 3.4Å
147	G	30	Very low	37.6	Very low	123 Å²	123	109.4 Å²	109.4	100%	1.268	58%	0.577	S	S	*	*			trans	-136.7	0	172.4	0	0	0	0	0	110.1

Retrieved 147 of 147 residues in 46.9 ms (Link to these results)

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