A0A674B9Q2_SALTR Loading...

High mobility group box 3a

AlphaFold DB , UniProt , Accession A0A674B9Q2, Species SALTR (Salmo trutta, Brown trout), Gene HMGB3, Length 207 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	39.8	Very low	67.4	Low	239 Å²	239	115.2 Å²	115.2	100%	1.177	69%	0.689	S	S	*	*				0	121.1	0	-69.6	168.4	178.6	0	0	106.9	K3	M1-K3 PolarHBondContact O-N 3.16Å
2	A	48	Very low	69.4	Low	107 Å²	107	116.9 Å²	116.9	88%	0.884	68%	0.681	S	S	*	*			trans	-69.2	121.1	-175.5	0	0	0	0	0	109.4	G4	A2-G4 VanDerWaalsContact C-N 3.26Å; A2-G4 PolarHBondContact O-N 3.09Å
3	K	50.4	Low	71.2	Confident	220 Å²	220	112.8 Å²	112.8	96%	0.957	65%	0.652	S	S	*	*			trans	-71.4	84.7	172.1	-65.4	-177	179	-178.9	0	108	M1	M1-K3 PolarHBondContact O-N 3.16Å
4	G	56.7	Low	72.8	Confident	57 Å²	57	109.4 Å²	109.4	59%	0.588	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-95.1	148.4	173.8	0	0	0	0	0	110.7	A2	A2-G4 VanDerWaalsContact C-N 3.26Å; A2-G4 PolarHBondContact O-N 3.09Å
5	T	60.8	Low	74.2	Confident	91 Å²	91	103.1 Å²	103.1	56%	0.558	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-53.4	137	169.6	48.1	0	0	0	0	110.1	G7 K8	T5-G7 PolarHBondContact O-N 3.23Å; T5-K8 WeakPolarHBondContact O-CB 2.85Å; T5-K8 PolarHBondContact O-N 3.14Å; T5-K8 VanDerWaalsContact O-N 3.14Å; T5-K8 WeakPolarHBondContact OG1-CB 3.35Å
6	P	74	Confident	75.2	Confident	130 Å²	130	101.2 Å²	101.2	84%	0.844	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	133.2	179.3	22.1	-31	0	0	0	110.1	K8	P6-K8 PolarHBondContact O-N 3.33Å
7	G	73.3	Confident	76.2	Confident	65 Å²	65	97.1 Å²	97.1	67%	0.67	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.8	-12.4	-179	0	0	0	0	0	116.3	T5 P9 F78	T5-G7 PolarHBondContact O-N 3.23Å; G7-P9 WeakPolarHBondContact O-CD 3.17Å; G7-F78 WeakPolarHBondContact O-CD2 3.16Å; G7-F78 WeakPolarHBondContact O-CE2 3.46Å
8	K	79.6	Confident	77.2	Confident	118 Å²	118	94.2 Å²	94.2	51%	0.513	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-68.7	128.1	178.8	-175.7	173.2	-178.7	177.3	0	111.8	T5 P6 K10 F78	T5-K8 WeakPolarHBondContact O-CB 2.85Å; T5-K8 PolarHBondContact O-N 3.14Å; T5-K8 VanDerWaalsContact O-N 3.14Å; T5-K8 WeakPolarHBondContact OG1-CB 3.35Å; P6-K8 PolarHBondContact O-N 3.33Å; K8-K10 PolarHBondContact O-N 3.45Å; K8-F78 VanDerWaalsContact CA-CZ 3.45Å; K8-F78 HydrophobicContact CB-CE1 4.06Å; K8-F78 HydrophobicContact CB-CE2 4.34Å; K8-F78 HydrophobicContact CB-CZ 3.73Å; K8-F78 HydrophobicContact CG-CE1 3.9Å; K8-F78 HydrophobicContact CG-CZ 4.11Å
9	P	85.6	Confident	78	Confident	15 Å²	15	89.4 Å²	89.4	10%	0.097	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-49.2	136.8	172.4	-33.4	38.5	0	0	0	112	G7 G11 Y71 E74 M75 F78	G7-P9 WeakPolarHBondContact O-CD 3.17Å; P9-G11 PolarHBondContact O-N 2.9Å; P9-Y71 HydrophobicContact CB-CD2 4.3Å; P9-Y71 HydrophobicContact CB-CE2 4.22Å; P9-E74 HydrophobicContact CB-CB 3.75Å; P9-E74 WeakPolarHBondContact CB-OE2 3.35Å; P9-E74 HydrophobicContact CG-CB 3.77Å; P9-E74 WeakPolarHBondContact CG-O 3.33Å; P9-M75 HydrophobicContact CB-CG 4.39Å; P9-M75 HydrophobicContact CB-SD 4.05Å; P9-M75 HydrophobicContact CG-CG 4.37Å; P9-M75 HydrophobicContact CG-SD 3.83Å; P9-F78 HydrophobicContact CG-CB 3.5Å; P9-F78 HydrophobicContact CG-CD1 4.04Å; P9-F78 HydrophobicContact CG-CD2 4.43Å; P9-F78 HydrophobicContact CG-CG 3.76Å
10	K	86.1	Confident	78.6	Confident	173 Å²	173	86.1 Å²	86.1	75%	0.752	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-65.6	133	176.1	-72.7	178.2	-177.9	168.4	0	109	K8 R70 Y71	K8-K10 PolarHBondContact O-N 3.45Å; K10-R70 PolarHBondContact O-NH1 3.27Å; K10-R70 PolarHBondContact O-NH2 2.98Å; K10-Y71 VanDerWaalsContact O-CD2 3.27Å; K10-Y71 WeakPolarHBondContact O-CD2 3.49Å
11	G	87.3	Confident	79.2	Confident	52 Å²	52	85.7 Å²	85.7	54%	0.536	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-57.1	151.8	-178.7	0	0	0	0	0	112.7	P9	P9-G11 PolarHBondContact O-N 2.9Å
12	K	91.4	Very high	81.5	Confident	136 Å²	136	76.2 Å²	76.2	59%	0.591	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-64.1	135.1	-178.3	64.4	-172.1	177	-174.2	0	113.1	D67 Y71	K12-D67 VanDerWaalsContact C-OD2 3.32Å; K12-D67 WeakPolarHBondContact CA-OD2 3.36Å; K12-Y71 HydrophobicContact CB-CG 4.25Å
13	M	92.6	Very high	83.4	Confident	63 Å²	63	72 Å²	72	31%	0.31	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-91.7	136.9	176.5	-68.6	-172.3	65.3	0	0	110.6	A17 Y18 D67	M13-A17 HydrophobicContact CB-CB 4.21Å; M13-A17 HydrophobicContact CE-CB 3.84Å; M13-Y18 HydrophobicContact CB-CD2 3.99Å; M13-Y18 HydrophobicContact CB-CE2 3.53Å; M13-Y18 HydrophobicContact SD-CE1 4.36Å; M13-D67 PolarHBondContact N-OD2 3.44Å
14	S	94.1	Very high	85.1	Confident	66 Å²	66	67 Å²	67	46%	0.462	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-81.6	165.7	175.1	69.7	0	0	0	0	111.8	Y16 A17 Y18	S14-Y16 PolarHBondContact O-N 2.88Å; S14-A17 WeakPolarHBondContact O-CA 3.27Å; S14-A17 WeakPolarHBondContact O-CB 3.41Å; S14-A17 PolarHBondContact O-N 3.38Å; S14-A17 PolarHBondContact OG-N 2.98Å; S14-Y18 WeakPolarHBondContact O-CD2 3.46Å; S14-Y18 PolarHBondContact O-N 2.86Å
15	A	92.9	Very high	86.7	Confident	15 Å²	15	69.4 Å²	69.4	12%	0.124	38%	0.381	C	S	.	.	H	α-helix	trans	-54.6	-42.8	175.8	0	0	0	0	0	111.8	A17 Y18 F19 W49 F60 E61 A64	A15-A17 PolarHBondContact O-N 2.84Å; A15-Y18 PolarHBondContact O-N 3.24Å; A15-F19 PolarHBondContact O-N 3.11Å; A15-W49 HydrophobicContact CB-CH2 3.9Å; A15-W49 HydrophobicContact CB-CZ2 4.32Å; A15-F60 WeakPolarHBondContact CA-O 3.49Å; A15-F60 HydrophobicContact CB-CB 3.96Å; A15-F60 WeakPolarHBondContact CB-O 3.35Å; A15-F60 WeakPolarHBondContact O-CB 3.35Å; A15-E61 HydrophobicContact CB-CG 4.06Å; A15-A64 HydrophobicContact CB-CB 4.15Å
16	Y	91.4	Very high	87.9	Confident	72 Å²	72	69.3 Å²	69.3	28%	0.282	37%	0.374	S	S	.	.	H	α-helix	trans	-65	-37.2	174.8	-177.2	-111.9	0	0	0	112.6	S14 F19 V20 S46 W49	S14-Y16 PolarHBondContact O-N 2.88Å; Y16-F19 HydrophobicContact CD2-CD1 4.01Å; Y16-F19 AromaticContact CE2-CD1 4Å; Y16-F19 HydrophobicContact CE2-CD1 4Å; Y16-F19 HydrophobicContact CE2-CE1 4.38Å; Y16-F19 WeakPolarHBondContact O-CB 3.32Å; Y16-F19 PolarHBondContact O-N 3.42Å; Y16-V20 HydrophobicContact CD1-CG2 4.05Å; Y16-V20 HydrophobicContact CD2-CG2 4.28Å; Y16-V20 HydrophobicContact CE1-CG2 3.64Å; Y16-V20 HydrophobicContact CE2-CG2 3.9Å; Y16-V20 HydrophobicContact CG-CG2 4.37Å; Y16-V20 VanDerWaalsContact O-CG2 3.26Å; Y16-V20 WeakPolarHBondContact O-CG2 3.49Å; Y16-V20 PolarHBondContact O-N 3.48Å; Y16-S46 WeakPolarHBondContact OH-CA 3.49Å; Y16-S46 PolarHBondContact OH-N 2.99Å; Y16-W49 HydrophobicContact CD2-CB 3.8Å; Y16-W49 AromaticContact CD2-CD1 3.68Å; Y16-W49 AromaticContact CD2-CD2 3.56Å; Y16-W49 HydrophobicContact CD2-CD2 3.56Å; Y16-W49 AromaticContact CD2-CE2 3.92Å; Y16-W49 HydrophobicContact CD2-CE3 4.1Å; Y16-W49 AromaticContact CD2-CG 3.4Å; Y16-W49 HydrophobicContact CD2-CG 3.4Å; Y16-W49 AromaticContact CD2-NE1 3.98Å; Y16-W49 HydrophobicContact CE2-CB 3.56Å; Y16-W49 HydrophobicContact CE2-CD2 4.28Å; Y16-W49 AromaticContact CE2-CG 3.7Å; Y16-W49 HydrophobicContact CE2-CG 3.7Å
17	A	92.4	Very high	88.4	Confident	31 Å²	31	65.4 Å²	65.4	26%	0.256	34%	0.344	S	S	.	.	H	α-helix	trans	-64.7	-41.2	177.6	0	0	0	0	0	111.9	M13 S14 A15 V20 Q21	M13-A17 HydrophobicContact CB-CB 4.21Å; M13-A17 HydrophobicContact CE-CB 3.84Å; S14-A17 WeakPolarHBondContact O-CA 3.27Å; S14-A17 WeakPolarHBondContact O-CB 3.41Å; S14-A17 PolarHBondContact O-N 3.38Å; S14-A17 PolarHBondContact OG-N 2.98Å; A15-A17 PolarHBondContact O-N 2.84Å; A17-V20 PolarHBondContact O-N 3.36Å; A17-Q21 PolarHBondContact O-N 2.96Å
18	Y	92.9	Very high	89	Confident	46 Å²	46	69.9 Å²	69.9	18%	0.18	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-43	171.6	-82.4	-66.8	0	0	0	112.3	M13 S14 A15 V20 Q21 T22 M63 D67	M13-Y18 HydrophobicContact CB-CD2 3.99Å; M13-Y18 HydrophobicContact CB-CE2 3.53Å; M13-Y18 HydrophobicContact SD-CE1 4.36Å; S14-Y18 WeakPolarHBondContact O-CD2 3.46Å; S14-Y18 PolarHBondContact O-N 2.86Å; A15-Y18 PolarHBondContact O-N 3.24Å; Y18-V20 PolarHBondContact O-N 2.98Å; Y18-Q21 WeakPolarHBondContact O-CB 3.49Å; Y18-Q21 PolarHBondContact O-N 3.16Å; Y18-T22 WeakPolarHBondContact O-CG2 3.42Å; Y18-T22 PolarHBondContact O-N 2.8Å; Y18-M63 HydrophobicContact CD1-CB 4.48Å; Y18-M63 HydrophobicContact CD1-SD 4.49Å; Y18-M63 HydrophobicContact CD2-CB 3.93Å; Y18-M63 HydrophobicContact CE2-CB 4.23Å; Y18-M63 HydrophobicContact CG-CB 4.07Å; Y18-M63 HydrophobicContact CG-SD 4.5Å; Y18-D67 HydrophobicContact CE2-CB 3.68Å; Y18-D67 WeakPolarHBondContact OH-CB 3.48Å; Y18-D67 PolarHBondContact OH-OD1 3.41Å
19	F	93.1	Very high	89.4	Confident	3 Å²	3	73.2 Å²	73.2	1%	0.013	36%	0.36	C	S	.	.	H	α-helix	trans	-59.1	-47.8	175.3	168.6	-99.5	0	0	0	112.2	A15 Y16 Q21 T22 C23 C45 R48 W49 M52 F60	A15-F19 PolarHBondContact O-N 3.11Å; Y16-F19 HydrophobicContact CD2-CD1 4.01Å; Y16-F19 AromaticContact CE2-CD1 4Å; Y16-F19 HydrophobicContact CE2-CD1 4Å; Y16-F19 HydrophobicContact CE2-CE1 4.38Å; Y16-F19 WeakPolarHBondContact O-CB 3.32Å; Y16-F19 PolarHBondContact O-N 3.42Å; F19-Q21 VanDerWaalsContact C-N 3.25Å; F19-Q21 PolarHBondContact O-N 2.92Å; F19-T22 PolarHBondContact O-N 2.81Å; F19-T22 PolarHBondContact O-OG1 3.47Å; F19-C23 VanDerWaalsContact CE2-SG 3.6Å; F19-C23 WeakPolarHBondContact CZ-SG 3.42Å; F19-C23 PolarHBondContact O-N 2.85Å; F19-C23 PolarHBondContact O-SG 3.45Å; F19-C45 HydrophobicContact CE1-CB 4.11Å; F19-C45 WeakPolarHBondContact CE1-O 3.48Å; F19-R48 HydrophobicContact CE2-CG 4.29Å; F19-R48 HydrophobicContact CZ-CB 3.86Å; F19-R48 HydrophobicContact CZ-CG 3.71Å; F19-W49 HydrophobicContact CB-CE3 3.64Å; F19-W49 HydrophobicContact CB-CZ3 3.52Å; F19-W49 HydrophobicContact CD1-CB 4.12Å; F19-W49 HydrophobicContact CD1-CD2 4.32Å; F19-W49 AromaticContact CD1-CE3 3.63Å; F19-W49 HydrophobicContact CD1-CE3 3.63Å; F19-W49 HydrophobicContact CD1-CZ3 4.4Å; F19-W49 AromaticContact CD2-CE3 3.88Å; F19-W49 HydrophobicContact CD2-CE3 3.88Å; F19-W49 HydrophobicContact CD2-CZ3 4.2Å; F19-W49 HydrophobicContact CE1-CB 3.87Å; F19-W49 HydrophobicContact CE1-CE3 4.28Å; F19-W49 HydrophobicContact CE2-CE3 4.48Å; F19-W49 HydrophobicContact CG-CD2 4.48Å; F19-W49 AromaticContact CG-CE3 3.41Å; F19-W49 HydrophobicContact CG-CE3 3.41Å; F19-W49 VanDerWaalsContact CG-CE3 3.41Å; F19-W49 AromaticContact CG-CZ3 3.79Å; F19-W49 HydrophobicContact CG-CZ3 3.79Å; F19-W49 HydrophobicContact CZ-CB 4.47Å; F19-M52 HydrophobicContact CE2-CE 4.4Å; F19-M52 HydrophobicContact CE2-CG 4.16Å; F19-M52 HydrophobicContact CE2-SD 4.31Å; F19-F60 HydrophobicContact CB-CD1 3.95Å; F19-F60 HydrophobicContact CB-CD2 4.17Å; F19-F60 HydrophobicContact CB-CE1 4.01Å; F19-F60 HydrophobicContact CB-CE2 4.24Å; F19-F60 HydrophobicContact CB-CG 4.02Å; F19-F60 HydrophobicContact CB-CZ 4.16Å; F19-F60 HydrophobicContact CD2-CD2 4.25Å; F19-F60 HydrophobicContact CD2-CE1 4.36Å; F19-F60 AromaticContact CD2-CE2 3.63Å; F19-F60 HydrophobicContact CD2-CE2 3.63Å; F19-F60 AromaticContact CD2-CZ 3.69Å; F19-F60 HydrophobicContact CD2-CZ 3.69Å; F19-F60 HydrophobicContact CG-CE2 4.41Å; F19-F60 HydrophobicContact CG-CZ 4.43Å
20	V	90.8	Very high	89.3	Confident	23 Å²	23	79.6 Å²	79.6	14%	0.139	39%	0.386	C	S	.	.	H	α-helix	trans	-60.2	-38.7	177	172.7	0	0	0	0	110.7	Y16 A17 Y18 C23 R24 F41 C45	Y16-V20 HydrophobicContact CD1-CG2 4.05Å; Y16-V20 HydrophobicContact CD2-CG2 4.28Å; Y16-V20 HydrophobicContact CE1-CG2 3.64Å; Y16-V20 HydrophobicContact CE2-CG2 3.9Å; Y16-V20 HydrophobicContact CG-CG2 4.37Å; Y16-V20 VanDerWaalsContact O-CG2 3.26Å; Y16-V20 WeakPolarHBondContact O-CG2 3.49Å; Y16-V20 PolarHBondContact O-N 3.48Å; A17-V20 PolarHBondContact O-N 3.36Å; Y18-V20 PolarHBondContact O-N 2.98Å; V20-C23 PolarHBondContact O-N 3.36Å; V20-R24 WeakPolarHBondContact O-CG 3.47Å; V20-R24 PolarHBondContact O-N 3.3Å; V20-F41 HydrophobicContact CG1-CE1 3.92Å; V20-C45 HydrophobicContact CG2-CB 3.99Å
21	Q	89.6	Confident	89	Confident	78 Å²	78	73.2 Å²	73.2	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-63.3	-48.2	175.2	-179	174.4	-14	0	0	112.2	A17 Y18 F19 C23 R24 E25	A17-Q21 PolarHBondContact O-N 2.96Å; Y18-Q21 WeakPolarHBondContact O-CB 3.49Å; Y18-Q21 PolarHBondContact O-N 3.16Å; F19-Q21 VanDerWaalsContact C-N 3.25Å; F19-Q21 PolarHBondContact O-N 2.92Å; Q21-C23 VanDerWaalsContact C-N 3.28Å; Q21-C23 PolarHBondContact O-N 3Å; Q21-R24 WeakPolarHBondContact O-CB 3.47Å; Q21-R24 PolarHBondContact O-N 3.16Å; Q21-E25 WeakPolarHBondContact CG-OE1 3.22Å; Q21-E25 PolarHBondContact NE2-OE1 3.44Å; Q21-E25 WeakPolarHBondContact O-CG 3.34Å; Q21-E25 PolarHBondContact O-N 3.23Å
22	T	89.7	Confident	88.5	Confident	39 Å²	39	75.6 Å²	75.6	24%	0.239	37%	0.369	C	S	.	.	H	α-helix	trans	-60.7	-39	177	59.6	0	0	0	0	112.2	Y18 F19 R24 E25 E26 F60	Y18-T22 WeakPolarHBondContact O-CG2 3.42Å; Y18-T22 PolarHBondContact O-N 2.8Å; F19-T22 PolarHBondContact O-N 2.81Å; F19-T22 PolarHBondContact O-OG1 3.47Å; T22-R24 VanDerWaalsContact C-N 3.29Å; T22-R24 PolarHBondContact O-N 2.91Å; T22-E25 PolarHBondContact O-N 2.92Å; T22-E26 WeakPolarHBondContact O-CG 3.49Å; T22-E26 PolarHBondContact O-N 3.46Å; T22-F60 HydrophobicContact CG2-CE1 3.81Å
23	C	88.2	Confident	87.9	Confident	18 Å²	18	78.1 Å²	78.1	12%	0.122	38%	0.383	C	S	.	.	H	α-helix	trans	-63.5	-33.6	174.5	-73.1	0	0	0	0	112.4	F19 V20 Q21 H27 F41	F19-C23 VanDerWaalsContact CE2-SG 3.6Å; F19-C23 WeakPolarHBondContact CZ-SG 3.42Å; F19-C23 PolarHBondContact O-N 2.85Å; F19-C23 PolarHBondContact O-SG 3.45Å; V20-C23 PolarHBondContact O-N 3.36Å; Q21-C23 VanDerWaalsContact C-N 3.28Å; Q21-C23 PolarHBondContact O-N 3Å; C23-H27 WeakPolarHBondContact O-CB 3.43Å; C23-H27 PolarHBondContact O-N 2.84Å; C23-H27 VanDerWaalsContact O-N 3.15Å; C23-F41 HydrophobicContact CB-CE2 4.12Å; C23-F41 HydrophobicContact CB-CZ 3.62Å
24	R	86	Confident	87.2	Confident	115 Å²	115	80.1 Å²	80.1	43%	0.434	39%	0.394	S	S	.	.	H	α-helix	trans	-71.2	-42.8	175.6	-73.8	-179.7	177.3	173	-1	111.2	V20 Q21 T22 H27 K28 F41	V20-R24 WeakPolarHBondContact O-CG 3.47Å; V20-R24 PolarHBondContact O-N 3.3Å; Q21-R24 WeakPolarHBondContact O-CB 3.47Å; Q21-R24 PolarHBondContact O-N 3.16Å; T22-R24 VanDerWaalsContact C-N 3.29Å; T22-R24 PolarHBondContact O-N 2.91Å; R24-H27 PolarHBondContact O-N 2.9Å; R24-K28 WeakPolarHBondContact O-CB 3.21Å; R24-K28 PolarHBondContact O-N 3.42Å; R24-F41 HydrophobicContact CB-CE1 4.47Å; R24-F41 HydrophobicContact CB-CZ 4.07Å; R24-F41 HydrophobicContact CG-CD1 4.14Å; R24-F41 HydrophobicContact CG-CE1 3.23Å; R24-F41 HydrophobicContact CG-CE2 4.12Å; R24-F41 HydrophobicContact CG-CZ 3.24Å
25	E	88.4	Confident	86.4	Confident	108 Å²	108	82.5 Å²	82.5	51%	0.505	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-43.4	178.1	-71.1	171.6	-169.2	0	0	111.3	Q21 T22 H27 K28 K29	Q21-E25 WeakPolarHBondContact CG-OE1 3.22Å; Q21-E25 PolarHBondContact NE2-OE1 3.44Å; Q21-E25 WeakPolarHBondContact O-CG 3.34Å; Q21-E25 PolarHBondContact O-N 3.23Å; T22-E25 PolarHBondContact O-N 2.92Å; E25-H27 PolarHBondContact O-N 3.19Å; E25-K28 PolarHBondContact O-N 2.94Å; E25-K29 PolarHBondContact O-N 3.28Å
26	E	86.9	Confident	85.5	Confident	90 Å²	90	84.9 Å²	84.9	42%	0.421	42%	0.421	S	S	.	.	H	α-helix	trans	-60.8	-42.8	173.5	-78.6	-165.6	-156.1	0	0	112.7	T22 K28 K29 K30	T22-E26 WeakPolarHBondContact O-CG 3.49Å; T22-E26 PolarHBondContact O-N 3.46Å; E26-K28 VanDerWaalsContact C-N 3.34Å; E26-K29 PolarHBondContact O-N 3.24Å; E26-K30 WeakPolarHBondContact O-CB 3.26Å; E26-K30 WeakPolarHBondContact O-CG 3.29Å; E26-K30 PolarHBondContact O-N 3.39Å; E26-K30 IonicContact OE2-NZ 2.7Å; E26-K30 PolarHBondContact OE2-NZ 3.49Å
27	H	84.1	Confident	85.3	Confident	47 Å²	47	86.3 Å²	86.3	22%	0.218	43%	0.433	C	S	.	.	H	α-helix	trans	-64.2	-41.5	177.1	-170	-74.1	0	0	0	111.3	C23 R24 E25 K29 K30 S31 I34	C23-H27 WeakPolarHBondContact O-CB 3.43Å; C23-H27 PolarHBondContact O-N 2.84Å; C23-H27 VanDerWaalsContact O-N 3.15Å; R24-H27 PolarHBondContact O-N 2.9Å; E25-H27 PolarHBondContact O-N 3.19Å; H27-K29 VanDerWaalsContact C-N 3.27Å; H27-K29 PolarHBondContact O-N 3.42Å; H27-K30 PolarHBondContact O-N 2.92Å; H27-S31 CarbonylContact O-C 3.57Å; H27-S31 WeakPolarHBondContact O-CA 3.26Å; H27-S31 PolarHBondContact O-N 3.24Å; H27-I34 PolarHBondContact CE1-O 3.35Å
28	K	85.8	Confident	84.7	Confident	160 Å²	160	91.4 Å²	91.4	70%	0.696	45%	0.45	S	S	*	.	H	α-helix	trans	-64	-33	176.4	-165.3	177.7	-179.6	-175.3	0	112	R24 E25 E26 P32	R24-K28 WeakPolarHBondContact O-CB 3.21Å; R24-K28 PolarHBondContact O-N 3.42Å; E25-K28 PolarHBondContact O-N 2.94Å; E26-K28 VanDerWaalsContact C-N 3.34Å; K28-P32 WeakPolarHBondContact O-CA 3.38Å; K28-P32 WeakPolarHBondContact O-CB 3.47Å
29	K	88.6	Confident	84.4	Confident	187 Å²	187	91.7 Å²	91.7	81%	0.813	46%	0.462	S	S	*	.	H	α-helix	trans	-76.2	-40.1	176.4	-171.2	174.7	-178.9	175.9	0	113	E25 E26 H27	E25-K29 PolarHBondContact O-N 3.28Å; E26-K29 PolarHBondContact O-N 3.24Å; H27-K29 VanDerWaalsContact C-N 3.27Å; H27-K29 PolarHBondContact O-N 3.42Å
30	K	84.3	Confident	84	Confident	149 Å²	149	96.6 Å²	96.6	65%	0.648	49%	0.485	S	S	*	.	H	α-helix	trans	-87.4	-26.5	-175	-69.6	169.8	179.9	165.3	0	113.4	E26 H27	E26-K30 WeakPolarHBondContact O-CB 3.26Å; E26-K30 WeakPolarHBondContact O-CG 3.29Å; E26-K30 PolarHBondContact O-N 3.39Å; E26-K30 IonicContact OE2-NZ 2.7Å; E26-K30 PolarHBondContact OE2-NZ 3.49Å; H27-K30 PolarHBondContact O-N 2.92Å
31	S	78.5	Confident	83.8	Confident	40 Å²	40	96.2 Å²	96.2	28%	0.28	48%	0.481	S	S	.	.			trans	-144.6	66.5	-177.7	-55	0	0	0	0	109.8	H27 E33 I34	H27-S31 CarbonylContact O-C 3.57Å; H27-S31 WeakPolarHBondContact O-CA 3.26Å; H27-S31 PolarHBondContact O-N 3.24Å; S31-E33 VanDerWaalsContact C-N 3.26Å; S31-E33 PolarHBondContact O-N 2.91Å; S31-I34 PolarHBondContact O-N 2.89Å
32	P	77.1	Confident	83.7	Confident	102 Å²	102	95 Å²	95	66%	0.662	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-29	-176.6	23.6	-32.8	0	0	0	113.6	K28	K28-P32 WeakPolarHBondContact O-CA 3.38Å; K28-P32 WeakPolarHBondContact O-CB 3.47Å
33	E	79.1	Confident	83.7	Confident	188 Å²	188	99.1 Å²	99.1	88%	0.879	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-18.6	179	-92.7	-168.1	141.1	0	0	114.4	S31 P35	S31-E33 VanDerWaalsContact C-N 3.26Å; S31-E33 PolarHBondContact O-N 2.91Å; E33-P35 VanDerWaalsContact O-CD 3.22Å; E33-P35 WeakPolarHBondContact O-CD 3.46Å
34	I	76.9	Confident	83.7	Confident	105 Å²	105	105.5 Å²	105.5	54%	0.538	52%	0.522	S	S	.	.	S	Bend	trans	-92.5	110.6	-175.5	-56.8	177.4	0	0	0	108.7	H27 S31 V36	H27-I34 PolarHBondContact CE1-O 3.35Å; S31-I34 PolarHBondContact O-N 2.89Å; I34-V36 PolarHBondContact O-N 3.23Å
35	P	77.4	Confident	83.9	Confident	117 Å²	117	100.2 Å²	100.2	76%	0.76	50%	0.502	S	S	*	.			trans	-63.3	132.7	179.1	24.8	-32.2	0	0	0	110.5	E33 N37	E33-P35 VanDerWaalsContact O-CD 3.22Å; E33-P35 WeakPolarHBondContact O-CD 3.46Å; P35-N37 PolarHBondContact O-N 2.94Å; P35-N37 VanDerWaalsContact O-N 3.14Å
36	V	75.3	Confident	83.8	Confident	65 Å²	65	97.2 Å²	97.2	39%	0.394	49%	0.493	S	S	.	.			trans	-73.3	108	-174.3	-158.9	0	0	0	0	109.7	I34 F38 F41	I34-V36 PolarHBondContact O-N 3.23Å; V36-F38 PolarHBondContact O-N 3.47Å; V36-F41 HydrophobicContact CG1-CB 3.72Å; V36-F41 HydrophobicContact CG1-CD1 4.39Å; V36-F41 HydrophobicContact CG1-CD2 3.51Å; V36-F41 HydrophobicContact CG1-CE2 4.28Å; V36-F41 HydrophobicContact CG1-CG 3.6Å
37	N	86.5	Confident	84	Confident	101 Å²	101	94.6 Å²	94.6	54%	0.54	49%	0.49	S	S	.	.			trans	-69.5	115.7	172.4	-177	-26.8	0	0	0	109.7	P35 A39 E40 F41	P35-N37 PolarHBondContact O-N 2.94Å; P35-N37 VanDerWaalsContact O-N 3.14Å; N37-A39 VanDerWaalsContact C-N 3.34Å; N37-A39 PolarHBondContact O-N 3.27Å; N37-A39 PolarHBondContact OD1-N 3.01Å; N37-A39 VanDerWaalsContact OD1-N 3.12Å; N37-E40 HydrophobicContact CB-CB 4.29Å; N37-E40 PolarHBondContact O-N 2.88Å; N37-F41 WeakPolarHBondContact O-CB 3.47Å; N37-F41 PolarHBondContact O-N 3.43Å
38	F	79.9	Confident	84.2	Confident	139 Å²	139	98.4 Å²	98.4	61%	0.61	50%	0.503	S	S	*	.	H	α-helix	trans	-58.6	-40.5	-174.1	178.5	-100.1	0	0	0	113.5	V36 S42	V36-F38 PolarHBondContact O-N 3.47Å; F38-S42 WeakPolarHBondContact O-CB 3.48Å; F38-S42 PolarHBondContact O-N 3.18Å
39	A	85.9	Confident	84.4	Confident	51 Å²	51	93.1 Å²	93.1	42%	0.421	48%	0.478	S	S	.	.	H	α-helix	trans	-68	-47.1	-177	0	0	0	0	0	111.3	N37 K43	N37-A39 VanDerWaalsContact C-N 3.34Å; N37-A39 PolarHBondContact O-N 3.27Å; N37-A39 PolarHBondContact OD1-N 3.01Å; N37-A39 VanDerWaalsContact OD1-N 3.12Å; A39-K43 WeakPolarHBondContact O-CG 3.44Å; A39-K43 PolarHBondContact O-N 3.47Å
40	E	85.8	Confident	84.5	Confident	106 Å²	106	92.2 Å²	92.2	50%	0.495	47%	0.474	S	S	.	.	H	α-helix	trans	-67.8	-40.9	178.4	-68.8	-55.9	116.9	0	0	111.8	N37 K43 K44	N37-E40 HydrophobicContact CB-CB 4.29Å; N37-E40 PolarHBondContact O-N 2.88Å; E40-K43 PolarHBondContact O-N 3.45Å; E40-K43 IonicContact OE1-NZ 2.92Å; E40-K43 PolarHBondContact OE1-NZ 3.21Å; E40-K44 WeakPolarHBondContact O-CB 3.39Å; E40-K44 PolarHBondContact O-N 2.75Å
41	F	86.9	Confident	84.8	Confident	15 Å²	15	90.8 Å²	90.8	7%	0.066	48%	0.478	C	S	.	.	H	α-helix	trans	-66.4	-40	178.2	-176.4	-94.9	0	0	0	112.6	V20 C23 R24 V36 N37 K44 C45	V20-F41 HydrophobicContact CG1-CE1 3.92Å; C23-F41 HydrophobicContact CB-CE2 4.12Å; C23-F41 HydrophobicContact CB-CZ 3.62Å; R24-F41 HydrophobicContact CB-CE1 4.47Å; R24-F41 HydrophobicContact CB-CZ 4.07Å; R24-F41 HydrophobicContact CG-CD1 4.14Å; R24-F41 HydrophobicContact CG-CE1 3.23Å; R24-F41 HydrophobicContact CG-CE2 4.12Å; R24-F41 HydrophobicContact CG-CZ 3.24Å; V36-F41 HydrophobicContact CG1-CB 3.72Å; V36-F41 HydrophobicContact CG1-CD1 4.39Å; V36-F41 HydrophobicContact CG1-CD2 3.51Å; V36-F41 HydrophobicContact CG1-CE2 4.28Å; V36-F41 HydrophobicContact CG1-CG 3.6Å; N37-F41 WeakPolarHBondContact O-CB 3.47Å; N37-F41 PolarHBondContact O-N 3.43Å; F41-K44 PolarHBondContact O-N 3.33Å; F41-C45 WeakPolarHBondContact CE1-SG 3.34Å; F41-C45 WeakPolarHBondContact CZ-SG 3.37Å; F41-C45 WeakPolarHBondContact O-CB 3.44Å; F41-C45 PolarHBondContact O-N 3.27Å; F41-C45 PolarHBondContact O-SG 2.97Å
42	S	86.3	Confident	85.2	Confident	52 Å²	52	89.9 Å²	89.9	36%	0.364	47%	0.47	S	S	.	.	H	α-helix	trans	-62.7	-45.4	176	-172.9	0	0	0	0	111.6	F38 K44 C45 S46	F38-S42 WeakPolarHBondContact O-CB 3.48Å; F38-S42 PolarHBondContact O-N 3.18Å; S42-K44 PolarHBondContact O-N 3.08Å; S42-C45 PolarHBondContact O-N 2.92Å; S42-S46 WeakPolarHBondContact O-CB 3.42Å; S42-S46 PolarHBondContact O-N 3.39Å; S42-S46 PolarHBondContact O-OG 3.49Å
43	K	90.3	Very high	85.8	Confident	127 Å²	127	87.6 Å²	87.6	55%	0.552	46%	0.456	S	S	*	.	H	α-helix	trans	-58.2	-48.9	173.9	-69.5	174.4	-167	163.6	0	111.2	A39 E40 C45 S46 G47	A39-K43 WeakPolarHBondContact O-CG 3.44Å; A39-K43 PolarHBondContact O-N 3.47Å; E40-K43 PolarHBondContact O-N 3.45Å; E40-K43 IonicContact OE1-NZ 2.92Å; E40-K43 PolarHBondContact OE1-NZ 3.21Å; K43-C45 PolarHBondContact O-N 2.97Å; K43-S46 PolarHBondContact O-N 3.34Å; K43-S46 PolarHBondContact O-OG 2.99Å; K43-G47 PolarHBondContact O-N 3.45Å
44	K	87.9	Confident	86.2	Confident	152 Å²	152	81.4 Å²	81.4	66%	0.661	44%	0.443	S	S	*	.	H	α-helix	trans	-59.7	-43.8	179.4	-170.9	174.6	-177.5	174.9	0	112.6	E40 F41 S42 R48	E40-K44 WeakPolarHBondContact O-CB 3.39Å; E40-K44 PolarHBondContact O-N 2.75Å; F41-K44 PolarHBondContact O-N 3.33Å; S42-K44 PolarHBondContact O-N 3.08Å; K44-R48 WeakPolarHBondContact O-CB 3.4Å; K44-R48 PolarHBondContact O-N 2.84Å
45	C	89.4	Confident	86.7	Confident	3 Å²	3	85.6 Å²	85.6	2%	0.02	46%	0.457	C	S	.	.	H	α-helix	trans	-65.2	-44	176.2	-69.3	0	0	0	0	111.8	F19 V20 F41 S42 K43 G47 R48 W49	F19-C45 HydrophobicContact CE1-CB 4.11Å; F19-C45 WeakPolarHBondContact CE1-O 3.48Å; V20-C45 HydrophobicContact CG2-CB 3.99Å; F41-C45 WeakPolarHBondContact CE1-SG 3.34Å; F41-C45 WeakPolarHBondContact CZ-SG 3.37Å; F41-C45 WeakPolarHBondContact O-CB 3.44Å; F41-C45 PolarHBondContact O-N 3.27Å; F41-C45 PolarHBondContact O-SG 2.97Å; S42-C45 PolarHBondContact O-N 2.92Å; K43-C45 PolarHBondContact O-N 2.97Å; C45-G47 PolarHBondContact O-N 3.45Å; C45-R48 PolarHBondContact O-N 3.46Å; C45-W49 WeakPolarHBondContact O-CB 3.39Å; C45-W49 PolarHBondContact O-N 3.24Å
46	S	87.8	Confident	87.1	Confident	45 Å²	45	84.2 Å²	84.2	32%	0.315	44%	0.441	S	S	.	.	H	α-helix	trans	-64.1	-40.8	-179.9	75.7	0	0	0	0	112.2	Y16 S42 K43 K50	Y16-S46 WeakPolarHBondContact OH-CA 3.49Å; Y16-S46 PolarHBondContact OH-N 2.99Å; S42-S46 WeakPolarHBondContact O-CB 3.42Å; S42-S46 PolarHBondContact O-N 3.39Å; S42-S46 PolarHBondContact O-OG 3.49Å; K43-S46 PolarHBondContact O-N 3.34Å; K43-S46 PolarHBondContact O-OG 2.99Å; S46-K50 WeakPolarHBondContact O-CG 3.42Å; S46-K50 PolarHBondContact O-N 3.34Å; S46-K50 VanDerWaalsContact O-N 3.14Å
47	G	89.6	Confident	87.9	Confident	35 Å²	35	83.3 Å²	83.3	36%	0.361	43%	0.431	S	S	.	.	H	α-helix	trans	-63.5	-49.7	175.4	0	0	0	0	0	111.2	K43 C45 W49 K50 T51	K43-G47 PolarHBondContact O-N 3.45Å; C45-G47 PolarHBondContact O-N 3.45Å; G47-W49 PolarHBondContact O-N 3.2Å; G47-K50 PolarHBondContact O-N 3.44Å; G47-T51 PolarHBondContact O-N 3.21Å; G47-T51 VanDerWaalsContact O-N 3.16Å; G47-T51 PolarHBondContact O-OG1 3.49Å
48	R	88.1	Confident	88.1	Confident	128 Å²	128	79.3 Å²	79.3	48%	0.483	41%	0.414	S	S	.	.	H	α-helix	trans	-60.7	-46.5	179.1	-172.4	171.4	178.3	100.5	-2.2	111.5	F19 K44 C45 K50 T51 M52	F19-R48 HydrophobicContact CE2-CG 4.29Å; F19-R48 HydrophobicContact CZ-CB 3.86Å; F19-R48 HydrophobicContact CZ-CG 3.71Å; K44-R48 WeakPolarHBondContact O-CB 3.4Å; K44-R48 PolarHBondContact O-N 2.84Å; C45-R48 PolarHBondContact O-N 3.46Å; R48-K50 VanDerWaalsContact C-N 3.3Å; R48-K50 PolarHBondContact O-N 3.44Å; R48-T51 WeakPolarHBondContact CA-OG1 3.36Å; R48-T51 CarbonylContact O-C 3.4Å; R48-T51 PolarHBondContact O-N 2.77Å; R48-T51 VanDerWaalsContact O-N 3.09Å; R48-T51 PolarHBondContact O-OG1 3.33Å; R48-M52 HydrophobicContact CG-CG 4.38Å; R48-M52 HydrophobicContact CG-SD 3.77Å; R48-M52 WeakPolarHBondContact O-CG 3.14Å; R48-M52 PolarHBondContact O-N 2.94Å
49	W	91.6	Very high	88.7	Confident	49 Å²	49	79.2 Å²	79.2	19%	0.186	41%	0.413	C	S	.	.	H	α-helix	trans	-58.6	-38.9	177.5	-177.3	-104.8	0	0	0	113.2	A15 Y16 F19 C45 G47 T51 M52 K57 F60	A15-W49 HydrophobicContact CB-CH2 3.9Å; A15-W49 HydrophobicContact CB-CZ2 4.32Å; Y16-W49 HydrophobicContact CD2-CB 3.8Å; Y16-W49 AromaticContact CD2-CD1 3.68Å; Y16-W49 AromaticContact CD2-CD2 3.56Å; Y16-W49 HydrophobicContact CD2-CD2 3.56Å; Y16-W49 AromaticContact CD2-CE2 3.92Å; Y16-W49 HydrophobicContact CD2-CE3 4.1Å; Y16-W49 AromaticContact CD2-CG 3.4Å; Y16-W49 HydrophobicContact CD2-CG 3.4Å; Y16-W49 AromaticContact CD2-NE1 3.98Å; Y16-W49 HydrophobicContact CE2-CB 3.56Å; Y16-W49 HydrophobicContact CE2-CD2 4.28Å; Y16-W49 AromaticContact CE2-CG 3.7Å; Y16-W49 HydrophobicContact CE2-CG 3.7Å; F19-W49 HydrophobicContact CB-CE3 3.64Å; F19-W49 HydrophobicContact CB-CZ3 3.52Å; F19-W49 HydrophobicContact CD1-CB 4.12Å; F19-W49 HydrophobicContact CD1-CD2 4.32Å; F19-W49 AromaticContact CD1-CE3 3.63Å; F19-W49 HydrophobicContact CD1-CE3 3.63Å; F19-W49 HydrophobicContact CD1-CZ3 4.4Å; F19-W49 AromaticContact CD2-CE3 3.88Å; F19-W49 HydrophobicContact CD2-CE3 3.88Å; F19-W49 HydrophobicContact CD2-CZ3 4.2Å; F19-W49 HydrophobicContact CE1-CB 3.87Å; F19-W49 HydrophobicContact CE1-CE3 4.28Å; F19-W49 HydrophobicContact CE2-CE3 4.48Å; F19-W49 HydrophobicContact CG-CD2 4.48Å; F19-W49 AromaticContact CG-CE3 3.41Å; F19-W49 HydrophobicContact CG-CE3 3.41Å; F19-W49 VanDerWaalsContact CG-CE3 3.41Å; F19-W49 AromaticContact CG-CZ3 3.79Å; F19-W49 HydrophobicContact CG-CZ3 3.79Å; F19-W49 HydrophobicContact CZ-CB 4.47Å; C45-W49 WeakPolarHBondContact O-CB 3.39Å; C45-W49 PolarHBondContact O-N 3.24Å; G47-W49 PolarHBondContact O-N 3.2Å; W49-T51 VanDerWaalsContact C-N 3.34Å; W49-M52 PolarHBondContact O-N 3.26Å; W49-K57 HydrophobicContact CE3-CG 4.39Å; W49-K57 HydrophobicContact CH2-CB 4.27Å; W49-K57 HydrophobicContact CH2-CG 3.95Å; W49-K57 HydrophobicContact CZ2-CD 4.47Å; W49-K57 HydrophobicContact CZ2-CG 4.15Å; W49-K57 HydrophobicContact CZ3-CG 4.07Å; W49-K57 WeakPolarHBondContact O-CE 3.49Å; W49-K57 PolarHBondContact O-NZ 3.12Å; W49-F60 HydrophobicContact CH2-CB 4.08Å; W49-F60 HydrophobicContact CH2-CD2 4.49Å; W49-F60 HydrophobicContact CZ3-CB 4.1Å; W49-F60 AromaticContact CZ3-CD2 3.78Å; W49-F60 HydrophobicContact CZ3-CD2 3.78Å; W49-F60 HydrophobicContact CZ3-CG 4.12Å
50	K	90.8	Very high	89.1	Confident	168 Å²	168	77.6 Å²	77.6	73%	0.73	40%	0.397	S	S	*	.	H	α-helix	trans	-63.5	-41.2	175.4	-74.2	175.6	-178.9	-177.1	0	111.7	S46 G47 R48	S46-K50 WeakPolarHBondContact O-CG 3.42Å; S46-K50 PolarHBondContact O-N 3.34Å; S46-K50 VanDerWaalsContact O-N 3.14Å; G47-K50 PolarHBondContact O-N 3.44Å; R48-K50 VanDerWaalsContact C-N 3.3Å; R48-K50 PolarHBondContact O-N 3.44Å
51	T	89.1	Confident	89.4	Confident	118 Å²	118	77.1 Å²	77.1	72%	0.724	40%	0.395	S	S	*	.	H	α-helix	trans	-82.2	-13.9	-180	58	0	0	0	0	114.3	G47 R48 W49	G47-T51 PolarHBondContact O-N 3.21Å; G47-T51 VanDerWaalsContact O-N 3.16Å; G47-T51 PolarHBondContact O-OG1 3.49Å; R48-T51 WeakPolarHBondContact CA-OG1 3.36Å; R48-T51 CarbonylContact O-C 3.4Å; R48-T51 PolarHBondContact O-N 2.77Å; R48-T51 VanDerWaalsContact O-N 3.09Å; R48-T51 PolarHBondContact O-OG1 3.33Å; W49-T51 VanDerWaalsContact C-N 3.34Å
52	M	87.1	Confident	89.7	Confident	22 Å²	22	80.2 Å²	80.2	11%	0.108	41%	0.412	C	S	.	.	S	Bend	trans	-63.5	138.7	177.9	-66.7	-53.6	-82.1	0	0	110.7	F19 R48 W49 E56 K57	F19-M52 HydrophobicContact CE2-CE 4.4Å; F19-M52 HydrophobicContact CE2-CG 4.16Å; F19-M52 HydrophobicContact CE2-SD 4.31Å; R48-M52 HydrophobicContact CG-CG 4.38Å; R48-M52 HydrophobicContact CG-SD 3.77Å; R48-M52 WeakPolarHBondContact O-CG 3.14Å; R48-M52 PolarHBondContact O-N 2.94Å; W49-M52 PolarHBondContact O-N 3.26Å; M52-E56 HydrophobicContact CE-CB 3.49Å; M52-E56 VanDerWaalsContact CE-CB 3.49Å; M52-E56 HydrophobicContact CE-CG 3.94Å; M52-E56 VanDerWaalsContact CE-OE1 3.27Å; M52-E56 WeakPolarHBondContact CE-OE1 3.43Å; M52-K57 HydrophobicContact CB-CG 4.09Å; M52-K57 WeakPolarHBondContact O-CE 3.47Å; M52-K57 PolarHBondContact O-NZ 3.34Å
53	S	89.6	Confident	90	Very high	53 Å²	53	80.3 Å²	80.3	37%	0.371	41%	0.407	S	S	.	.			trans	-68.4	156.8	175.9	66.7	0	0	0	0	111.7	K55 E56 K57	S53-K55 PolarHBondContact O-N 3.16Å; S53-E56 PolarHBondContact N-OE2 3.21Å; S53-E56 VanDerWaalsContact N-OE2 3.11Å; S53-E56 PolarHBondContact O-N 3.46Å; S53-E56 VanDerWaalsContact O-N 3.16Å; S53-E56 WeakPolarHBondContact OG-CG 3.49Å; S53-E56 PolarHBondContact OG-N 3.49Å; S53-E56 PolarHBondContact OG-OE2 3.48Å; S53-K57 WeakPolarHBondContact O-CG 3.36Å; S53-K57 PolarHBondContact O-N 2.98Å
54	G	87.8	Confident	90.2	Very high	58 Å²	58	75.2 Å²	75.2	60%	0.598	39%	0.389	S	S	*	.	H	α-helix	trans	-57.3	-34.3	176.4	0	0	0	0	0	112.8	K57 G58	G54-K57 PolarHBondContact O-N 3.01Å; G54-G58 PolarHBondContact O-N 3.22Å
55	K	87.8	Confident	90.4	Very high	194 Å²	194	73.9 Å²	73.9	84%	0.843	38%	0.383	S	S	*	.	H	α-helix	trans	-65.5	-40.6	177.6	-167.1	175.3	-176.5	179.9	0	112.4	S53 G58	S53-K55 PolarHBondContact O-N 3.16Å; K55-G58 PolarHBondContact O-N 3.24Å
56	E	86	Confident	90.5	Very high	88 Å²	88	80.4 Å²	80.4	41%	0.411	41%	0.413	S	S	.	.	H	α-helix	trans	-75.1	-34.7	176.8	-64.4	166.9	112.5	0	0	112.1	M52 S53 G58 K59 F60	M52-E56 HydrophobicContact CE-CB 3.49Å; M52-E56 VanDerWaalsContact CE-CB 3.49Å; M52-E56 HydrophobicContact CE-CG 3.94Å; M52-E56 VanDerWaalsContact CE-OE1 3.27Å; M52-E56 WeakPolarHBondContact CE-OE1 3.43Å; S53-E56 PolarHBondContact N-OE2 3.21Å; S53-E56 VanDerWaalsContact N-OE2 3.11Å; S53-E56 PolarHBondContact O-N 3.46Å; S53-E56 VanDerWaalsContact O-N 3.16Å; S53-E56 WeakPolarHBondContact OG-CG 3.49Å; S53-E56 PolarHBondContact OG-N 3.49Å; S53-E56 PolarHBondContact OG-OE2 3.48Å; E56-G58 VanDerWaalsContact C-N 3.29Å; E56-K59 PolarHBondContact O-N 2.92Å; E56-F60 WeakPolarHBondContact O-CD2 3.39Å
57	K	91	Very high	90.7	Very high	45 Å²	45	78.5 Å²	78.5	20%	0.196	40%	0.4	C	S	.	.	H	α-helix	trans	-62.9	-37.1	171.2	-73.5	172.1	172.9	147.9	0	111.7	W49 M52 S53 G54 K59 F60 E61	W49-K57 HydrophobicContact CE3-CG 4.39Å; W49-K57 HydrophobicContact CH2-CB 4.27Å; W49-K57 HydrophobicContact CH2-CG 3.95Å; W49-K57 HydrophobicContact CZ2-CD 4.47Å; W49-K57 HydrophobicContact CZ2-CG 4.15Å; W49-K57 HydrophobicContact CZ3-CG 4.07Å; W49-K57 WeakPolarHBondContact O-CE 3.49Å; W49-K57 PolarHBondContact O-NZ 3.12Å; M52-K57 HydrophobicContact CB-CG 4.09Å; M52-K57 WeakPolarHBondContact O-CE 3.47Å; M52-K57 PolarHBondContact O-NZ 3.34Å; S53-K57 WeakPolarHBondContact O-CG 3.36Å; S53-K57 PolarHBondContact O-N 2.98Å; G54-K57 PolarHBondContact O-N 3.01Å; K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 3.33Å; K57-F60 WeakPolarHBondContact O-CA 3.47Å; K57-F60 WeakPolarHBondContact O-CB 3.06Å; K57-F60 PolarHBondContact O-N 3.14Å; K57-E61 PolarHBondContact O-N 3.26Å
58	G	92	Very high	90.8	Very high	17 Å²	17	81.8 Å²	81.8	18%	0.175	40%	0.404	C	S	.	.	H	α-helix	trans	-52.4	-42.2	178.1	0	0	0	0	0	113.1	G54 K55 E56 F60 E61 D62	G54-G58 PolarHBondContact O-N 3.22Å; K55-G58 PolarHBondContact O-N 3.24Å; E56-G58 VanDerWaalsContact C-N 3.29Å; G58-F60 VanDerWaalsContact C-N 3.28Å; G58-F60 PolarHBondContact O-N 3.03Å; G58-E61 WeakPolarHBondContact O-CB 3.39Å; G58-E61 PolarHBondContact O-N 2.67Å; G58-E61 VanDerWaalsContact O-N 3.16Å; G58-D62 PolarHBondContact O-N 3Å
59	K	92	Very high	91	Very high	137 Å²	137	79.6 Å²	79.6	60%	0.596	40%	0.404	S	S	*	.	H	α-helix	trans	-57.2	-40.9	175.1	-178.1	177.1	179.3	178.9	0	112.6	E56 K57 M63	E56-K59 PolarHBondContact O-N 2.92Å; K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 3.33Å; K59-M63 HydrophobicContact CD-CE 4.37Å; K59-M63 HydrophobicContact CG-CE 4Å; K59-M63 WeakPolarHBondContact O-CG 3.47Å; K59-M63 PolarHBondContact O-N 3Å
60	F	93.6	Very high	91	Very high	17 Å²	17	80.7 Å²	80.7	8%	0.075	41%	0.409	C	S	.	.	H	α-helix	trans	-78.8	-30.3	179.6	-61.8	-70.4	0	0	0	112.5	A15 F19 T22 W49 E56 K57 G58 M63 A64	A15-F60 WeakPolarHBondContact CA-O 3.49Å; A15-F60 HydrophobicContact CB-CB 3.96Å; A15-F60 WeakPolarHBondContact CB-O 3.35Å; A15-F60 WeakPolarHBondContact O-CB 3.35Å; F19-F60 HydrophobicContact CB-CD1 3.95Å; F19-F60 HydrophobicContact CB-CD2 4.17Å; F19-F60 HydrophobicContact CB-CE1 4.01Å; F19-F60 HydrophobicContact CB-CE2 4.24Å; F19-F60 HydrophobicContact CB-CG 4.02Å; F19-F60 HydrophobicContact CB-CZ 4.16Å; F19-F60 HydrophobicContact CD2-CD2 4.25Å; F19-F60 HydrophobicContact CD2-CE1 4.36Å; F19-F60 AromaticContact CD2-CE2 3.63Å; F19-F60 HydrophobicContact CD2-CE2 3.63Å; F19-F60 AromaticContact CD2-CZ 3.69Å; F19-F60 HydrophobicContact CD2-CZ 3.69Å; F19-F60 HydrophobicContact CG-CE2 4.41Å; F19-F60 HydrophobicContact CG-CZ 4.43Å; T22-F60 HydrophobicContact CG2-CE1 3.81Å; W49-F60 HydrophobicContact CH2-CB 4.08Å; W49-F60 HydrophobicContact CH2-CD2 4.49Å; W49-F60 HydrophobicContact CZ3-CB 4.1Å; W49-F60 AromaticContact CZ3-CD2 3.78Å; W49-F60 HydrophobicContact CZ3-CD2 3.78Å; W49-F60 HydrophobicContact CZ3-CG 4.12Å; E56-F60 WeakPolarHBondContact O-CD2 3.39Å; K57-F60 WeakPolarHBondContact O-CA 3.47Å; K57-F60 WeakPolarHBondContact O-CB 3.06Å; K57-F60 PolarHBondContact O-N 3.14Å; G58-F60 VanDerWaalsContact C-N 3.28Å; G58-F60 PolarHBondContact O-N 3.03Å; F60-M63 HydrophobicContact CD1-SD 4.18Å; F60-M63 PolarHBondContact O-N 3.01Å; F60-A64 WeakPolarHBondContact O-CB 3.31Å; F60-A64 PolarHBondContact O-N 3.05Å
61	E	92.6	Very high	90.9	Very high	97 Å²	97	75.3 Å²	75.3	45%	0.453	38%	0.384	S	S	.	.	H	α-helix	trans	-64.3	-42.2	171.2	-70.3	177.7	-176.2	0	0	111.3	A15 K57 G58 A64 K65	A15-E61 HydrophobicContact CB-CG 4.06Å; K57-E61 PolarHBondContact O-N 3.26Å; G58-E61 WeakPolarHBondContact O-CB 3.39Å; G58-E61 PolarHBondContact O-N 2.67Å; G58-E61 VanDerWaalsContact O-N 3.16Å; E61-A64 PolarHBondContact O-N 3.37Å; E61-K65 WeakPolarHBondContact O-CG 3.17Å; E61-K65 PolarHBondContact O-N 3.46Å
62	D	93.6	Very high	90.7	Very high	80 Å²	80	72.6 Å²	72.6	43%	0.428	37%	0.365	S	S	.	.	H	α-helix	trans	-66.3	-39.2	176.4	-66.7	-27	0	0	0	112	G58 A64 K65 Q66	G58-D62 PolarHBondContact O-N 3Å; D62-A64 VanDerWaalsContact C-N 3.32Å; D62-A64 PolarHBondContact O-N 2.96Å; D62-K65 WeakPolarHBondContact O-CB 3.38Å; D62-K65 PolarHBondContact O-N 3.3Å; D62-K65 IonicContact OD1-NZ 2.84Å; D62-K65 PolarHBondContact OD1-NZ 3.3Å; D62-Q66 WeakPolarHBondContact O-CG 3.25Å; D62-Q66 PolarHBondContact O-N 2.82Å
63	M	92.3	Very high	90.7	Very high	53 Å²	53	75.5 Å²	75.5	26%	0.261	38%	0.381	S	S	.	.	H	α-helix	trans	-60.3	-41.3	170.8	-71.5	175.2	-177.3	0	0	112.1	Y18 K59 F60 K65 Q66 D67	Y18-M63 HydrophobicContact CD1-CB 4.48Å; Y18-M63 HydrophobicContact CD1-SD 4.49Å; Y18-M63 HydrophobicContact CD2-CB 3.93Å; Y18-M63 HydrophobicContact CE2-CB 4.23Å; Y18-M63 HydrophobicContact CG-CB 4.07Å; Y18-M63 HydrophobicContact CG-SD 4.5Å; K59-M63 HydrophobicContact CD-CE 4.37Å; K59-M63 HydrophobicContact CG-CE 4Å; K59-M63 WeakPolarHBondContact O-CG 3.47Å; K59-M63 PolarHBondContact O-N 3Å; F60-M63 HydrophobicContact CD1-SD 4.18Å; F60-M63 PolarHBondContact O-N 3.01Å; M63-K65 VanDerWaalsContact C-N 3.34Å; M63-K65 PolarHBondContact O-N 3.15Å; M63-Q66 PolarHBondContact O-N 3.4Å; M63-D67 WeakPolarHBondContact O-CB 3.3Å; M63-D67 PolarHBondContact O-N 2.9Å
64	A	93.9	Very high	90.6	Very high	21 Å²	21	76.5 Å²	76.5	17%	0.174	38%	0.38	C	S	.	.	H	α-helix	trans	-67.1	-34	176.8	0	0	0	0	0	112.6	A15 F60 E61 D62 D67 K68	A15-A64 HydrophobicContact CB-CB 4.15Å; F60-A64 WeakPolarHBondContact O-CB 3.31Å; F60-A64 PolarHBondContact O-N 3.05Å; E61-A64 PolarHBondContact O-N 3.37Å; D62-A64 VanDerWaalsContact C-N 3.32Å; D62-A64 PolarHBondContact O-N 2.96Å; A64-D67 PolarHBondContact O-N 3.28Å; A64-K68 PolarHBondContact O-N 2.92Å
65	K	93.3	Very high	90.3	Very high	124 Å²	124	76.6 Å²	76.6	54%	0.539	37%	0.366	S	S	.	.	H	α-helix	trans	-65.6	-45.2	172.5	-68.8	171	-161.2	157.3	0	111.1	E61 D62 M63 D67 K68 V69	E61-K65 WeakPolarHBondContact O-CG 3.17Å; E61-K65 PolarHBondContact O-N 3.46Å; D62-K65 WeakPolarHBondContact O-CB 3.38Å; D62-K65 PolarHBondContact O-N 3.3Å; D62-K65 IonicContact OD1-NZ 2.84Å; D62-K65 PolarHBondContact OD1-NZ 3.3Å; M63-K65 VanDerWaalsContact C-N 3.34Å; M63-K65 PolarHBondContact O-N 3.15Å; K65-D67 VanDerWaalsContact C-N 3.31Å; K65-D67 PolarHBondContact O-N 2.92Å; K65-K68 WeakPolarHBondContact O-CB 3.37Å; K65-K68 PolarHBondContact O-N 2.86Å; K65-V69 PolarHBondContact O-N 2.96Å; K65-V69 VanDerWaalsContact O-N 3.16Å
66	Q	91.9	Very high	89.9	Confident	139 Å²	139	74.7 Å²	74.7	65%	0.65	36%	0.361	S	S	*	.	H	α-helix	trans	-61.9	-40.5	175.8	-72	176	-11.1	0	0	111.5	D62 M63 K68 V69 R70	D62-Q66 WeakPolarHBondContact O-CG 3.25Å; D62-Q66 PolarHBondContact O-N 2.82Å; M63-Q66 PolarHBondContact O-N 3.4Å; Q66-K68 VanDerWaalsContact C-N 3.32Å; Q66-K68 PolarHBondContact O-N 3.46Å; Q66-V69 WeakPolarHBondContact O-CB 3.31Å; Q66-V69 PolarHBondContact O-N 2.7Å; Q66-V69 VanDerWaalsContact O-N 3.12Å; Q66-R70 PolarHBondContact O-N 2.94Å
67	D	91.6	Very high	89.5	Confident	6 Å²	6	78.3 Å²	78.3	3%	0.032	38%	0.378	C	S	.	.	H	α-helix	trans	-67.8	-32.4	177.8	-168.5	66.2	0	0	0	113.1	K12 M13 Y18 M63 A64 K65 R70 Y71	K12-D67 VanDerWaalsContact C-OD2 3.32Å; K12-D67 WeakPolarHBondContact CA-OD2 3.36Å; M13-D67 PolarHBondContact N-OD2 3.44Å; Y18-D67 HydrophobicContact CE2-CB 3.68Å; Y18-D67 WeakPolarHBondContact OH-CB 3.48Å; Y18-D67 PolarHBondContact OH-OD1 3.41Å; M63-D67 WeakPolarHBondContact O-CB 3.3Å; M63-D67 PolarHBondContact O-N 2.9Å; A64-D67 PolarHBondContact O-N 3.28Å; K65-D67 VanDerWaalsContact C-N 3.31Å; K65-D67 PolarHBondContact O-N 2.92Å; D67-R70 PolarHBondContact O-N 3.39Å; D67-R70 IonicContact OD1-CZ 2.76Å; D67-R70 IonicContact OD1-NE 3.91Å; D67-R70 PolarHBondContact OD1-NE 3.45Å; D67-R70 IonicContact OD1-NH2 2.81Å; D67-R70 PolarHBondContact OD1-NH2 3.27Å; D67-R70 IonicContact OD2-NH2 3.75Å; D67-R70 PolarHBondContact OD2-NH2 3.29Å; D67-Y71 VanDerWaalsContact O-CB 3.31Å; D67-Y71 WeakPolarHBondContact O-CB 3.46Å; D67-Y71 PolarHBondContact O-N 3.26Å
68	K	91.8	Very high	88.8	Confident	103 Å²	103	78.1 Å²	78.1	45%	0.448	38%	0.378	S	S	.	.	H	α-helix	trans	-60	-46.4	168.6	-179.7	-176.3	177.4	-59.1	0	110.7	A64 K65 Q66 Y71 D72	A64-K68 PolarHBondContact O-N 2.92Å; K65-K68 WeakPolarHBondContact O-CB 3.37Å; K65-K68 PolarHBondContact O-N 2.86Å; Q66-K68 VanDerWaalsContact C-N 3.32Å; Q66-K68 PolarHBondContact O-N 3.46Å; K68-Y71 PolarHBondContact O-N 3.06Å; K68-D72 IonicContact NZ-OD2 2.84Å; K68-D72 PolarHBondContact NZ-OD2 2.77Å; K68-D72 WeakPolarHBondContact O-CB 3.5Å; K68-D72 PolarHBondContact O-N 2.85Å
69	V	91.8	Very high	87.5	Confident	82 Å²	82	81.4 Å²	81.4	50%	0.497	40%	0.403	S	S	.	.	H	α-helix	trans	-64.2	-44.1	178.1	177.3	0	0	0	0	111.2	K65 Q66 Y71 D72 N73	K65-V69 PolarHBondContact O-N 2.96Å; K65-V69 VanDerWaalsContact O-N 3.16Å; Q66-V69 WeakPolarHBondContact O-CB 3.31Å; Q66-V69 PolarHBondContact O-N 2.7Å; Q66-V69 VanDerWaalsContact O-N 3.12Å; V69-Y71 PolarHBondContact O-N 2.87Å; V69-D72 PolarHBondContact O-N 2.86Å; V69-N73 WeakPolarHBondContact O-CB 3.45Å; V69-N73 PolarHBondContact O-N 2.88Å
70	R	92.6	Very high	86	Confident	72 Å²	72	78.3 Å²	78.3	27%	0.272	40%	0.397	S	S	.	.	H	α-helix	trans	-55	-51.4	173.4	178.6	-160.7	61.3	76.4	6.8	110.9	K10 Q66 D67 N73 E74	K10-R70 PolarHBondContact O-NH1 3.27Å; K10-R70 PolarHBondContact O-NH2 2.98Å; Q66-R70 PolarHBondContact O-N 2.94Å; D67-R70 PolarHBondContact O-N 3.39Å; D67-R70 IonicContact OD1-CZ 2.76Å; D67-R70 IonicContact OD1-NE 3.91Å; D67-R70 PolarHBondContact OD1-NE 3.45Å; D67-R70 IonicContact OD1-NH2 2.81Å; D67-R70 PolarHBondContact OD1-NH2 3.27Å; D67-R70 IonicContact OD2-NH2 3.75Å; D67-R70 PolarHBondContact OD2-NH2 3.29Å; R70-N73 PolarHBondContact O-N 3.12Å; R70-E74 VanDerWaalsContact CD-OE1 3.3Å; R70-E74 WeakPolarHBondContact CD-OE1 3.37Å; R70-E74 HydrophobicContact CG-CG 4.35Å; R70-E74 WeakPolarHBondContact CG-OE1 3.27Å; R70-E74 IonicContact CZ-OE1 2.77Å; R70-E74 IonicContact NE-OE1 2.77Å; R70-E74 IonicContact NH1-OE1 3.14Å; R70-E74 PolarHBondContact NH1-OE1 3.27Å; R70-E74 IonicContact NH1-OE2 3.29Å; R70-E74 PolarHBondContact NH1-OE2 2.93Å; R70-E74 WeakPolarHBondContact O-CB 3.22Å; R70-E74 WeakPolarHBondContact O-CG 3.36Å; R70-E74 PolarHBondContact O-N 2.95Å
71	Y	88.7	Confident	84.5	Confident	55 Å²	55	81.6 Å²	81.6	22%	0.216	44%	0.436	C	S	.	.	H	α-helix	trans	-62.5	-43.4	-179.7	179.1	-102.5	0	0	0	111.8	P9 K10 K12 D67 K68 V69 E74 M75	P9-Y71 HydrophobicContact CB-CD2 4.3Å; P9-Y71 HydrophobicContact CB-CE2 4.22Å; K10-Y71 VanDerWaalsContact O-CD2 3.27Å; K10-Y71 WeakPolarHBondContact O-CD2 3.49Å; K12-Y71 HydrophobicContact CB-CG 4.25Å; D67-Y71 VanDerWaalsContact O-CB 3.31Å; D67-Y71 WeakPolarHBondContact O-CB 3.46Å; D67-Y71 PolarHBondContact O-N 3.26Å; K68-Y71 PolarHBondContact O-N 3.06Å; V69-Y71 PolarHBondContact O-N 2.87Å; Y71-E74 PolarHBondContact O-N 3.44Å; Y71-M75 HydrophobicContact CD1-CG 4.06Å; Y71-M75 HydrophobicContact CD2-CG 4.07Å; Y71-M75 HydrophobicContact CE1-CG 3.64Å; Y71-M75 HydrophobicContact CE2-CG 3.63Å; Y71-M75 HydrophobicContact CE2-SD 3.91Å; Y71-M75 HydrophobicContact CG-CG 4.27Å; Y71-M75 VanDerWaalsContact CZ-CG 3.4Å; Y71-M75 WeakPolarHBondContact O-CB 3.05Å; Y71-M75 WeakPolarHBondContact O-CG 3.16Å; Y71-M75 PolarHBondContact O-N 3.38Å; Y71-M75 PolarHBondContact OH-SD 3.38Å
72	D	83.6	Confident	82.6	Confident	61 Å²	61	79.9 Å²	79.9	33%	0.326	44%	0.444	S	S	.	.	H	α-helix	trans	-62.1	-46.2	178.5	-68.5	-15.2	0	0	0	110	K68 V69 M75 M76	K68-D72 IonicContact NZ-OD2 2.84Å; K68-D72 PolarHBondContact NZ-OD2 2.77Å; K68-D72 WeakPolarHBondContact O-CB 3.5Å; K68-D72 PolarHBondContact O-N 2.85Å; V69-D72 PolarHBondContact O-N 2.86Å; D72-M75 PolarHBondContact O-N 3.46Å; D72-M76 VanDerWaalsContact O-CG 3.32Å; D72-M76 WeakPolarHBondContact O-CG 3.4Å; D72-M76 PolarHBondContact O-N 3.33Å
73	N	87	Confident	80.6	Confident	84 Å²	84	86.4 Å²	86.4	45%	0.449	47%	0.469	S	S	.	.	H	α-helix	trans	-64	-47.6	175.7	-73.2	-15.5	0	0	0	112.8	V69 R70 M75 M76 H77	V69-N73 WeakPolarHBondContact O-CB 3.45Å; V69-N73 PolarHBondContact O-N 2.88Å; R70-N73 PolarHBondContact O-N 3.12Å; N73-M75 PolarHBondContact O-N 3.29Å; N73-M76 PolarHBondContact O-N 2.89Å; N73-M76 VanDerWaalsContact O-N 3.1Å; N73-H77 PolarHBondContact O-CD2 2.88Å; N73-H77 PolarHBondContact O-N 3.17Å; N73-H77 VanDerWaalsContact O-N 3.16Å
74	E	87.3	Confident	78.6	Confident	74 Å²	74	93.6 Å²	93.6	35%	0.346	50%	0.498	S	S	.	.	H	α-helix	trans	-60.5	-36.4	176.4	-75.6	178.2	-158.9	0	0	111.1	P9 R70 Y71 F78	P9-E74 HydrophobicContact CB-CB 3.75Å; P9-E74 WeakPolarHBondContact CB-OE2 3.35Å; P9-E74 HydrophobicContact CG-CB 3.77Å; P9-E74 WeakPolarHBondContact CG-O 3.33Å; R70-E74 VanDerWaalsContact CD-OE1 3.3Å; R70-E74 WeakPolarHBondContact CD-OE1 3.37Å; R70-E74 HydrophobicContact CG-CG 4.35Å; R70-E74 WeakPolarHBondContact CG-OE1 3.27Å; R70-E74 IonicContact CZ-OE1 2.77Å; R70-E74 IonicContact NE-OE1 2.77Å; R70-E74 IonicContact NH1-OE1 3.14Å; R70-E74 PolarHBondContact NH1-OE1 3.27Å; R70-E74 IonicContact NH1-OE2 3.29Å; R70-E74 PolarHBondContact NH1-OE2 2.93Å; R70-E74 WeakPolarHBondContact O-CB 3.22Å; R70-E74 WeakPolarHBondContact O-CG 3.36Å; R70-E74 PolarHBondContact O-N 2.95Å; Y71-E74 PolarHBondContact O-N 3.44Å; E74-F78 WeakPolarHBondContact O-CB 3.2Å; E74-F78 PolarHBondContact O-N 3.22Å
75	M	82.7	Confident	76.6	Confident	60 Å²	60	95.7 Å²	95.7	30%	0.296	52%	0.522	S	S	.	.	H	α-helix	trans	-72.8	-27.8	175	-75.9	-62.3	-49.1	0	0	113.5	P9 Y71 D72 N73 F78	P9-M75 HydrophobicContact CB-CG 4.39Å; P9-M75 HydrophobicContact CB-SD 4.05Å; P9-M75 HydrophobicContact CG-CG 4.37Å; P9-M75 HydrophobicContact CG-SD 3.83Å; Y71-M75 HydrophobicContact CD1-CG 4.06Å; Y71-M75 HydrophobicContact CD2-CG 4.07Å; Y71-M75 HydrophobicContact CE1-CG 3.64Å; Y71-M75 HydrophobicContact CE2-CG 3.63Å; Y71-M75 HydrophobicContact CE2-SD 3.91Å; Y71-M75 HydrophobicContact CG-CG 4.27Å; Y71-M75 VanDerWaalsContact CZ-CG 3.4Å; Y71-M75 WeakPolarHBondContact O-CB 3.05Å; Y71-M75 WeakPolarHBondContact O-CG 3.16Å; Y71-M75 PolarHBondContact O-N 3.38Å; Y71-M75 PolarHBondContact OH-SD 3.38Å; D72-M75 PolarHBondContact O-N 3.46Å; N73-M75 PolarHBondContact O-N 3.29Å; M75-F78 HydrophobicContact CE-CD1 4.2Å; M75-F78 HydrophobicContact SD-CD1 4.11Å
76	M	79	Confident	74.8	Confident	153 Å²	153	101.4 Å²	101.4	75%	0.754	54%	0.54	S	S	*	.	H	α-helix	trans	-68.5	-37.6	173	-73.3	-175.1	90.1	0	0	111.7	D72 N73	D72-M76 VanDerWaalsContact O-CG 3.32Å; D72-M76 WeakPolarHBondContact O-CG 3.4Å; D72-M76 PolarHBondContact O-N 3.33Å; N73-M76 PolarHBondContact O-N 2.89Å; N73-M76 VanDerWaalsContact O-N 3.1Å
77	H	78.1	Confident	73.2	Confident	164 Å²	164	104.6 Å²	104.6	76%	0.759	55%	0.552	S	S	*	*	H	α-helix	trans	-88.5	-19.1	178.1	-63.3	-65	0	0	0	113.5	N73 A79	N73-H77 PolarHBondContact O-CD2 2.88Å; N73-H77 PolarHBondContact O-N 3.17Å; N73-H77 VanDerWaalsContact O-N 3.16Å; H77-A79 PolarHBondContact O-N 3.49Å
78	F	76	Confident	72	Confident	42 Å²	42	112 Å²	112	18%	0.184	58%	0.584	C	S	.	*			trans	-80.7	102.3	173.3	178.3	-113.8	0	0	0	110.4	G7 K8 P9 E74 M75 P80	G7-F78 WeakPolarHBondContact O-CD2 3.16Å; G7-F78 WeakPolarHBondContact O-CE2 3.46Å; K8-F78 VanDerWaalsContact CA-CZ 3.45Å; K8-F78 HydrophobicContact CB-CE1 4.06Å; K8-F78 HydrophobicContact CB-CE2 4.34Å; K8-F78 HydrophobicContact CB-CZ 3.73Å; K8-F78 HydrophobicContact CG-CE1 3.9Å; K8-F78 HydrophobicContact CG-CZ 4.11Å; P9-F78 HydrophobicContact CG-CB 3.5Å; P9-F78 HydrophobicContact CG-CD1 4.04Å; P9-F78 HydrophobicContact CG-CD2 4.43Å; P9-F78 HydrophobicContact CG-CG 3.76Å; E74-F78 WeakPolarHBondContact O-CB 3.2Å; E74-F78 PolarHBondContact O-N 3.22Å; M75-F78 HydrophobicContact CE-CD1 4.2Å; M75-F78 HydrophobicContact SD-CD1 4.11Å; F78-P80 HydrophobicContact CD1-CB 4.34Å; F78-P80 HydrophobicContact CD1-CG 4.36Å; F78-P80 HydrophobicContact CE1-CB 3.59Å; F78-P80 HydrophobicContact CE1-CG 4.03Å; F78-P80 HydrophobicContact CZ-CB 3.86Å; F78-P80 WeakPolarHBondContact O-CD 3.25Å
79	A	63.8	Low	70.8	Confident	86 Å²	86	112 Å²	112	71%	0.711	59%	0.589	S	S	*	*			trans	-83.9	98.1	161.8	0	0	0	0	0	108.5	H77 G81	H77-A79 PolarHBondContact O-N 3.49Å; A79-G81 PolarHBondContact O-N 3.41Å
80	P	61.8	Low	70	Confident	72 Å²	72	114.2 Å²	114.2	47%	0.468	60%	0.604	S	S	.	*			trans	-59.7	125.7	165.6	26	-30.3	0	0	0	106.6	F78 G82	F78-P80 HydrophobicContact CD1-CB 4.34Å; F78-P80 HydrophobicContact CD1-CG 4.36Å; F78-P80 HydrophobicContact CE1-CB 3.59Å; F78-P80 HydrophobicContact CE1-CG 4.03Å; F78-P80 HydrophobicContact CZ-CB 3.86Å; F78-P80 WeakPolarHBondContact O-CD 3.25Å; P80-G82 PolarHBondContact O-N 3.22Å; P80-G82 VanDerWaalsContact O-N 3.14Å
81	G	62.4	Low	69.1	Low	86 Å²	86	116.8 Å²	116.8	89%	0.887	62%	0.623	S	S	*	*	S	Bend	trans	-43	123.8	177.4	0	0	0	0	0	111.4	A79	A79-G81 PolarHBondContact O-N 3.41Å
82	G	51.1	Low	68.6	Low	61 Å²	61	115.6 Å²	115.6	63%	0.629	63%	0.625	S	S	*	*	S	Bend	trans	87.2	106.2	-179.5	0	0	0	0	0	113.9	P80 K84	P80-G82 PolarHBondContact O-N 3.22Å; P80-G82 VanDerWaalsContact O-N 3.14Å; G82-K84 VanDerWaalsContact C-N 3.29Å; G82-K84 PolarHBondContact O-N 3.49Å
83	K	51.8	Low	68.4	Low	217 Å²	217	114.2 Å²	114.2	94%	0.943	62%	0.619	S	S	*	*			trans	-53.6	90.2	163	-69.7	171.5	-176.1	162.1	0	109	G85	K83-G85 VanDerWaalsContact C-N 3.29Å; K83-G85 PolarHBondContact O-N 2.83Å
84	K	51.4	Low	68.3	Low	203 Å²	203	119.2 Å²	119.2	88%	0.883	64%	0.637	S	S	*	*			trans	-63.2	100.6	159.7	-86.9	-176.9	178.7	171	0	106.2	G82 R86	G82-K84 VanDerWaalsContact C-N 3.29Å; G82-K84 PolarHBondContact O-N 3.49Å; K84-R86 PolarHBondContact O-N 3.33Å
85	G	51.6	Low	68.2	Low	65 Å²	65	124.7 Å²	124.7	67%	0.67	66%	0.655	S	S	*	*			trans	-42.1	124.6	-172.1	0	0	0	0	0	111	K83 K87	K83-G85 VanDerWaalsContact C-N 3.29Å; K83-G85 PolarHBondContact O-N 2.83Å; G85-K87 PolarHBondContact O-N 3.3Å; G85-K87 VanDerWaalsContact O-N 3.17Å
86	R	55.5	Low	68.5	Low	245 Å²	245	123.7 Å²	123.7	93%	0.925	65%	0.653	S	S	*	*			trans	-45.2	129.3	162.3	-79.4	169.2	79.9	177.4	4.2	106.4	K84 K88	K84-R86 PolarHBondContact O-N 3.33Å; R86-K88 PolarHBondContact O-N 3.47Å
87	K	58.3	Low	69.1	Low	206 Å²	206	119.4 Å²	119.4	90%	0.896	64%	0.636	S	S	*	*			trans	-48.7	112.8	175.7	-69	-178	179.7	-178.7	0	106.8	G85 D89	G85-K87 PolarHBondContact O-N 3.3Å; G85-K87 VanDerWaalsContact O-N 3.17Å; K87-D89 PolarHBondContact O-N 3.46Å
88	K	65.3	Low	69.7	Low	162 Å²	162	114.2 Å²	114.2	70%	0.704	62%	0.619	S	S	*	*			trans	-61.7	125.9	-178.2	-131.4	148.5	-173.5	168.7	0	106.5	R86 P90	R86-K88 PolarHBondContact O-N 3.47Å; K88-P90 WeakPolarHBondContact O-CD 3.38Å
89	D	67.8	Low	70.4	Confident	103 Å²	103	112.4 Å²	112.4	55%	0.551	61%	0.612	S	S	*	*			trans	-54.4	125.9	-179.7	-77.2	-49	0	0	0	109	K87 N91 A92	K87-D89 PolarHBondContact O-N 3.46Å; D89-N91 PolarHBondContact O-N 2.76Å; D89-A92 HydrophobicContact CB-CB 3.96Å; D89-A92 PolarHBondContact O-N 3.35Å
90	P	75.3	Confident	71.7	Confident	127 Å²	127	111.1 Å²	111.1	83%	0.825	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-21.3	-178.6	-26.7	35	0	0	0	114	K88	K88-P90 WeakPolarHBondContact O-CD 3.38Å
91	N	72.8	Confident	73.1	Confident	126 Å²	126	112.9 Å²	112.9	67%	0.674	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-7.9	-179.4	-63	-29.1	0	0	0	113.5	D89 Y160	D89-N91 PolarHBondContact O-N 2.76Å; N91-Y160 HydrophobicContact CB-CE2 4.09Å; N91-Y160 WeakPolarHBondContact O-CD2 2.78Å; N91-Y160 VanDerWaalsContact O-CE2 3.25Å; N91-Y160 WeakPolarHBondContact O-CE2 3.41Å
92	A	77.7	Confident	74.6	Confident	30 Å²	30	109.9 Å²	109.9	25%	0.248	55%	0.554	C	S	.	*	S	Bend	trans	-72.6	139.1	176.9	0	0	0	0	0	109.9	D89 K94 Y160	D89-A92 HydrophobicContact CB-CB 3.96Å; D89-A92 PolarHBondContact O-N 3.35Å; A92-K94 PolarHBondContact O-N 2.81Å; A92-Y160 HydrophobicContact CB-CE1 4.18Å
93	P	79.9	Confident	76.5	Confident	32 Å²	32	107.2 Å²	107.2	21%	0.208	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-51	138.8	170.6	-26.8	35.2	0	0	0	110.7	Y153 D156 V157 Y160	P93-Y153 HydrophobicContact CB-CD2 3.84Å; P93-Y153 HydrophobicContact CB-CE2 3.63Å; P93-Y153 WeakPolarHBondContact O-CE2 3.47Å; P93-D156 HydrophobicContact CB-CB 4.15Å; P93-D156 HydrophobicContact CG-CB 4.01Å; P93-V157 HydrophobicContact CB-CG2 3.96Å; P93-V157 HydrophobicContact CG-CG2 4.02Å; P93-Y160 HydrophobicContact CG-CG 4.43Å
94	K	84.1	Confident	78.4	Confident	190 Å²	190	97.6 Å²	97.6	83%	0.826	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-82.9	139.9	176.8	-69.1	-178	-179.2	177	0	110	A92 Y153	A92-K94 PolarHBondContact O-N 2.81Å; K94-Y153 WeakPolarHBondContact O-CD2 3.47Å; K94-Y153 WeakPolarHBondContact O-CE2 3.5Å
95	R	86.3	Confident	80.3	Confident	188 Å²	188	91.1 Å²	91.1	71%	0.709	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-57.7	135.3	176.4	-67.2	-174.2	178.3	-164.2	-4.3	110.2
96	P	89.8	Confident	82.2	Confident	40 Å²	40	91.5 Å²	91.5	26%	0.26	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-73.3	153.3	178.2	29.2	-31.7	0	0	0	110.8	L149 Y153	P96-L149 HydrophobicContact CB-CB 3.77Å; P96-Y153 HydrophobicContact CG-CD1 4.45Å; P96-Y153 HydrophobicContact CG-CG 4.16Å
97	P	89.6	Confident	83.8	Confident	62 Å²	62	81.4 Å²	81.4	40%	0.403	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-68.1	143.9	174.3	29.4	-34.4	0	0	0	111.2	F101 I102 L149	P97-F101 HydrophobicContact CB-CB 3.86Å; P97-I102 HydrophobicContact CB-CG1 4.22Å; P97-I102 HydrophobicContact CG-CG1 4Å; P97-L149 HydrophobicContact CG-CD1 4.12Å
98	S	91.8	Very high	85.4	Confident	56 Å²	56	76.7 Å²	76.7	39%	0.392	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-72	168.4	172.6	77.3	0	0	0	0	111.7	F100 F101 I102	S98-F100 PolarHBondContact O-N 2.99Å; S98-F101 PolarHBondContact O-N 3.17Å; S98-F101 VanDerWaalsContact OG-CD2 3.31Å; S98-F101 WeakPolarHBondContact OG-CD2 3.45Å; S98-F101 PolarHBondContact OG-N 3.43Å; S98-I102 WeakPolarHBondContact O-CG1 3.34Å; S98-I102 PolarHBondContact O-N 2.83Å
99	G	89.9	Confident	86.6	Confident	4 Å²	4	72.6 Å²	72.6	4%	0.041	39%	0.386	C	S	.	.	H	α-helix	trans	-55.3	-40	178.3	0	0	0	0	0	112.7	I102 F103 A146	G99-I102 PolarHBondContact O-N 3.46Å; G99-F103 PolarHBondContact O-N 2.95Å; G99-A146 VanDerWaalsContact N-CB 3.32Å
100	F	90.9	Very high	87.8	Confident	58 Å²	58	73 Å²	73	25%	0.254	38%	0.383	S	S	.	.	H	α-helix	trans	-62.4	-44.5	174.7	174.1	-115.2	0	0	0	112.6	S98 I102 F103 C104 W131	S98-F100 PolarHBondContact O-N 2.99Å; F100-I102 VanDerWaalsContact C-N 3.32Å; F100-I102 PolarHBondContact O-N 3.29Å; F100-F103 HydrophobicContact CD2-CD1 4.41Å; F100-F103 WeakPolarHBondContact O-CB 3.32Å; F100-F103 PolarHBondContact O-N 3.43Å; F100-C104 WeakPolarHBondContact CE2-SG 3.47Å; F100-C104 WeakPolarHBondContact CZ-SG 3.38Å; F100-C104 WeakPolarHBondContact O-CB 3.02Å; F100-C104 PolarHBondContact O-N 3.43Å; F100-C104 PolarHBondContact O-SG 3.23Å; F100-W131 HydrophobicContact CB-CD2 4.32Å; F100-W131 HydrophobicContact CB-CZ2 4.41Å; F100-W131 HydrophobicContact CD2-CB 3.58Å; F100-W131 AromaticContact CD2-CD1 3.72Å; F100-W131 AromaticContact CD2-CD2 3.78Å; F100-W131 HydrophobicContact CD2-CD2 3.78Å; F100-W131 HydrophobicContact CD2-CE3 4.39Å; F100-W131 AromaticContact CD2-CG 3.4Å; F100-W131 HydrophobicContact CD2-CG 3.4Å; F100-W131 HydrophobicContact CE2-CB 3.64Å; F100-W131 AromaticContact CE2-CG 3.98Å; F100-W131 HydrophobicContact CE2-CG 3.98Å; F100-W131 HydrophobicContact CG-CG 4.39Å
101	F	92.2	Very high	88.4	Confident	110 Å²	110	67.3 Å²	67.3	48%	0.482	35%	0.345	S	S	.	.	H	α-helix	trans	-66.6	-33.9	178.1	-80.1	-69.7	0	0	0	112.7	P97 S98 C104 A105	P97-F101 HydrophobicContact CB-CB 3.86Å; S98-F101 PolarHBondContact O-N 3.17Å; S98-F101 VanDerWaalsContact OG-CD2 3.31Å; S98-F101 WeakPolarHBondContact OG-CD2 3.45Å; S98-F101 PolarHBondContact OG-N 3.43Å; F101-C104 PolarHBondContact O-N 3.17Å; F101-A105 WeakPolarHBondContact O-CB 3.05Å; F101-A105 PolarHBondContact O-N 2.91Å
102	I	92.9	Very high	89.2	Confident	23 Å²	23	67 Å²	67	12%	0.118	34%	0.338	C	S	.	.	H	α-helix	trans	-64.5	-45.9	172.6	-61	168.7	0	0	0	109.8	P97 S98 G99 F100 C104 A105 D106 Y142 K145 A146 L149	P97-I102 HydrophobicContact CB-CG1 4.22Å; P97-I102 HydrophobicContact CG-CG1 4Å; S98-I102 WeakPolarHBondContact O-CG1 3.34Å; S98-I102 PolarHBondContact O-N 2.83Å; G99-I102 PolarHBondContact O-N 3.46Å; F100-I102 VanDerWaalsContact C-N 3.32Å; F100-I102 PolarHBondContact O-N 3.29Å; I102-C104 PolarHBondContact O-N 2.96Å; I102-A105 WeakPolarHBondContact O-CB 3.46Å; I102-A105 PolarHBondContact O-N 3.1Å; I102-D106 PolarHBondContact O-N 3.39Å; I102-Y142 HydrophobicContact CB-CD1 4.46Å; I102-Y142 HydrophobicContact CG2-CD1 3.95Å; I102-K145 HydrophobicContact CD1-CB 4.05Å; I102-K145 HydrophobicContact CG2-CD 4.45Å; I102-A146 HydrophobicContact CD1-CB 3.89Å; I102-L149 HydrophobicContact CD1-CD1 4.04Å
103	F	92.6	Very high	89.8	Confident	4 Å²	4	69.4 Å²	69.4	2%	0.018	36%	0.358	C	S	.	.	H	α-helix	trans	-59.2	-45.3	174.3	167.7	-98.5	0	0	0	112.2	G99 F100 A105 D106 H107 L127 Q130 W131 L134 Y142	G99-F103 PolarHBondContact O-N 2.95Å; F100-F103 HydrophobicContact CD2-CD1 4.41Å; F100-F103 WeakPolarHBondContact O-CB 3.32Å; F100-F103 PolarHBondContact O-N 3.43Å; F103-A105 VanDerWaalsContact C-N 3.32Å; F103-A105 PolarHBondContact O-N 2.84Å; F103-D106 PolarHBondContact O-N 2.91Å; F103-H107 AromaticContact CD2-CE1 3.47Å; F103-H107 VanDerWaalsContact CD2-CE1 3.47Å; F103-H107 WeakPolarHBondContact CD2-CE1 3.38Å; F103-H107 AromaticContact CD2-ND1 3.27Å; F103-H107 VanDerWaalsContact CD2-ND1 3.27Å; F103-H107 WeakPolarHBondContact CD2-ND1 3.36Å; F103-H107 HydrophobicContact CE1-CB 4.46Å; F103-H107 HydrophobicContact CE2-CB 4.4Å; F103-H107 AromaticContact CE2-CD2 3.78Å; F103-H107 AromaticContact CE2-CE1 3.31Å; F103-H107 WeakPolarHBondContact CE2-CE1 3.3Å; F103-H107 AromaticContact CE2-CG 3.53Å; F103-H107 AromaticContact CE2-ND1 3.22Å; F103-H107 WeakPolarHBondContact CE2-ND1 3.45Å; F103-H107 AromaticContact CE2-NE2 3.72Å; F103-H107 AromaticContact CG-ND1 3.94Å; F103-H107 HydrophobicContact CZ-CB 4.2Å; F103-H107 AromaticContact CZ-CG 3.75Å; F103-H107 AromaticContact CZ-ND1 3.87Å; F103-H107 PolarHBondContact O-N 3.32Å; F103-H107 PolarHBondContact O-ND1 2.87Å; F103-L127 HydrophobicContact CE1-CD2 3.99Å; F103-Q130 HydrophobicContact CE1-CB 4.36Å; F103-Q130 HydrophobicContact CZ-CB 4.13Å; F103-W131 HydrophobicContact CB-CE3 3.61Å; F103-W131 HydrophobicContact CB-CZ3 3.55Å; F103-W131 HydrophobicContact CD1-CB 4.22Å; F103-W131 HydrophobicContact CD1-CD2 4.45Å; F103-W131 AromaticContact CD1-CE3 3.69Å; F103-W131 HydrophobicContact CD1-CE3 3.69Å; F103-W131 HydrophobicContact CD1-CZ3 4.49Å; F103-W131 HydrophobicContact CD2-CE3 4.07Å; F103-W131 HydrophobicContact CD2-CZ3 4.31Å; F103-W131 HydrophobicContact CE1-CB 4.13Å; F103-W131 HydrophobicContact CE1-CE3 4.39Å; F103-W131 AromaticContact CG-CE3 3.51Å; F103-W131 HydrophobicContact CG-CE3 3.51Å; F103-W131 AromaticContact CG-CZ3 3.88Å; F103-W131 HydrophobicContact CG-CZ3 3.88Å; F103-L134 HydrophobicContact CD2-CD1 3.96Å; F103-L134 HydrophobicContact CE2-CD1 3.6Å; F103-L134 HydrophobicContact CZ-CD1 4.05Å; F103-Y142 HydrophobicContact CB-CD1 4.07Å; F103-Y142 HydrophobicContact CB-CE1 4.23Å; F103-Y142 HydrophobicContact CB-CG 4.26Å; F103-Y142 HydrophobicContact CD2-CE1 4.43Å; F103-Y142 HydrophobicContact CD2-CE2 4.09Å
104	C	91.9	Very high	90.3	Very high	16 Å²	16	74.5 Å²	74.5	11%	0.108	38%	0.379	C	S	.	.	H	α-helix	trans	-61	-39.9	177.2	-74.5	0	0	0	0	112	F100 F101 I102 D106 H107 R108 L127	F100-C104 WeakPolarHBondContact CE2-SG 3.47Å; F100-C104 WeakPolarHBondContact CZ-SG 3.38Å; F100-C104 WeakPolarHBondContact O-CB 3.02Å; F100-C104 PolarHBondContact O-N 3.43Å; F100-C104 PolarHBondContact O-SG 3.23Å; F101-C104 PolarHBondContact O-N 3.17Å; I102-C104 PolarHBondContact O-N 2.96Å; C104-D106 VanDerWaalsContact C-N 3.26Å; C104-D106 PolarHBondContact O-N 3.32Å; C104-H107 PolarHBondContact O-N 2.93Å; C104-R108 WeakPolarHBondContact O-CB 3.17Å; C104-R108 PolarHBondContact O-N 2.76Å; C104-L127 HydrophobicContact CB-CD1 4.12Å
105	A	91.2	Very high	90.4	Very high	67 Å²	67	69 Å²	69	55%	0.554	36%	0.356	S	S	*	.	H	α-helix	trans	-58.8	-38.9	177.3	0	0	0	0	0	112.1	F101 I102 F103 P109	F101-A105 WeakPolarHBondContact O-CB 3.05Å; F101-A105 PolarHBondContact O-N 2.91Å; I102-A105 WeakPolarHBondContact O-CB 3.46Å; I102-A105 PolarHBondContact O-N 3.1Å; F103-A105 VanDerWaalsContact C-N 3.32Å; F103-A105 PolarHBondContact O-N 2.84Å; A105-P109 WeakPolarHBondContact O-CD 3.47Å
106	D	90.5	Very high	90.4	Very high	72 Å²	72	64.9 Å²	64.9	39%	0.385	35%	0.354	S	S	.	.	H	α-helix	trans	-78.1	-31.7	180	-69.4	-17	0	0	0	113.1	I102 F103 C104 K110	I102-D106 PolarHBondContact O-N 3.39Å; F103-D106 PolarHBondContact O-N 2.91Å; C104-D106 VanDerWaalsContact C-N 3.26Å; C104-D106 PolarHBondContact O-N 3.32Å; D106-K110 WeakPolarHBondContact O-CE 3.45Å
107	H	89.4	Confident	90.4	Very high	33 Å²	33	68.4 Å²	68.4	15%	0.153	38%	0.379	C	S	.	.	H	α-helix	trans	-102	-27.7	-171	-68.3	78.1	0	0	0	114.3	F103 C104 K110 I111 L127 Y142	F103-H107 AromaticContact CD2-CE1 3.47Å; F103-H107 VanDerWaalsContact CD2-CE1 3.47Å; F103-H107 WeakPolarHBondContact CD2-CE1 3.38Å; F103-H107 AromaticContact CD2-ND1 3.27Å; F103-H107 VanDerWaalsContact CD2-ND1 3.27Å; F103-H107 WeakPolarHBondContact CD2-ND1 3.36Å; F103-H107 HydrophobicContact CE1-CB 4.46Å; F103-H107 HydrophobicContact CE2-CB 4.4Å; F103-H107 AromaticContact CE2-CD2 3.78Å; F103-H107 AromaticContact CE2-CE1 3.31Å; F103-H107 WeakPolarHBondContact CE2-CE1 3.3Å; F103-H107 AromaticContact CE2-CG 3.53Å; F103-H107 AromaticContact CE2-ND1 3.22Å; F103-H107 WeakPolarHBondContact CE2-ND1 3.45Å; F103-H107 AromaticContact CE2-NE2 3.72Å; F103-H107 AromaticContact CG-ND1 3.94Å; F103-H107 HydrophobicContact CZ-CB 4.2Å; F103-H107 AromaticContact CZ-CG 3.75Å; F103-H107 AromaticContact CZ-ND1 3.87Å; F103-H107 PolarHBondContact O-N 3.32Å; F103-H107 PolarHBondContact O-ND1 2.87Å; C104-H107 PolarHBondContact O-N 2.93Å; H107-K110 PolarHBondContact NE2-NZ 3.46Å; H107-K110 WeakPolarHBondContact O-CB 3.42Å; H107-K110 PolarHBondContact O-N 3.47Å; H107-I111 PolarHBondContact O-N 2.87Å; H107-L127 HydrophobicContact CB-CD2 3.38Å; H107-Y142 PolarHBondContact CE1-OH 2.86Å
108	R	90.9	Very high	90.2	Very high	108 Å²	108	67.9 Å²	67.9	41%	0.408	37%	0.373	S	S	.	.	H	α-helix	trans	-52.8	-45.6	173.9	-172.3	175.4	-175.9	-138.4	3.5	113.8	C104 K110 I111 K112 V123 L127	C104-R108 WeakPolarHBondContact O-CB 3.17Å; C104-R108 PolarHBondContact O-N 2.76Å; R108-K110 VanDerWaalsContact C-N 3.3Å; R108-K110 PolarHBondContact O-N 2.84Å; R108-I111 PolarHBondContact O-N 3.28Å; R108-K112 VanDerWaalsContact O-CB 3.3Å; R108-K112 WeakPolarHBondContact O-CB 3.49Å; R108-K112 PolarHBondContact O-N 3.05Å; R108-V123 HydrophobicContact CG-CG1 3.94Å; R108-L127 HydrophobicContact CB-CD1 3.81Å; R108-L127 HydrophobicContact CG-CD1 4.3Å
109	P	92.1	Very high	90.1	Very high	76 Å²	76	66.9 Å²	66.9	49%	0.494	37%	0.371	S	S	.	.	H	α-helix	trans	-64.9	-33.6	176.8	24.6	-33.7	0	0	0	112.6	A105 A113	A105-P109 WeakPolarHBondContact O-CD 3.47Å; P109-A113 VanDerWaalsContact O-CB 3.29Å; P109-A113 WeakPolarHBondContact O-CB 3.37Å; P109-A113 PolarHBondContact O-N 2.83Å
110	K	92	Very high	90	Very high	112 Å²	112	70.3 Å²	70.3	49%	0.487	39%	0.388	S	S	.	.	H	α-helix	trans	-66.4	-47.6	178.2	-57.1	176.9	-171.9	168.4	0	111.2	D106 H107 R108 A113 Q114	D106-K110 WeakPolarHBondContact O-CE 3.45Å; H107-K110 PolarHBondContact NE2-NZ 3.46Å; H107-K110 WeakPolarHBondContact O-CB 3.42Å; H107-K110 PolarHBondContact O-N 3.47Å; R108-K110 VanDerWaalsContact C-N 3.3Å; R108-K110 PolarHBondContact O-N 2.84Å; K110-A113 PolarHBondContact O-N 3.25Å; K110-Q114 WeakPolarHBondContact O-CG 3.38Å; K110-Q114 PolarHBondContact O-N 3.39Å
111	I	88.9	Confident	90	Very high	6 Å²	6	69.3 Å²	69.3	3%	0.031	39%	0.394	C	S	.	.	H	α-helix	trans	-66.5	-40.8	178.6	-62.4	178.9	0	0	0	110.5	H107 R108 A113 Q114 H115 V123 K126 L127	H107-I111 PolarHBondContact O-N 2.87Å; R108-I111 PolarHBondContact O-N 3.28Å; I111-A113 VanDerWaalsContact C-N 3.31Å; I111-A113 PolarHBondContact O-N 3.16Å; I111-Q114 PolarHBondContact O-N 3.17Å; I111-H115 WeakPolarHBondContact O-CB 3.49Å; I111-H115 PolarHBondContact O-N 3.13Å; I111-V123 HydrophobicContact CB-CG1 4.11Å; I111-V123 HydrophobicContact CG2-CB 4.44Å; I111-V123 HydrophobicContact CG2-CG1 3.92Å; I111-V123 HydrophobicContact CG2-CG2 4.1Å; I111-K126 HydrophobicContact CD1-CB 4.38Å; I111-K126 HydrophobicContact CG2-CD 4.43Å; I111-L127 HydrophobicContact CD1-CD2 3.49Å; I111-L127 VanDerWaalsContact CD1-CD2 3.49Å; I111-L127 HydrophobicContact CD1-CG 3.73Å
112	K	89.3	Confident	89.9	Confident	120 Å²	120	67.8 Å²	67.8	52%	0.522	39%	0.391	S	S	.	.	H	α-helix	trans	-65.9	-33.3	176.8	-170.6	172.9	-177.1	179	0	112.5	R108 H115 P116	R108-K112 VanDerWaalsContact O-CB 3.3Å; R108-K112 WeakPolarHBondContact O-CB 3.49Å; R108-K112 PolarHBondContact O-N 3.05Å; K112-H115 CarbonylContact O-C 3.6Å; K112-P116 WeakPolarHBondContact O-CA 3.37Å; K112-P116 VanDerWaalsContact O-N 3.13Å
113	A	90.3	Very high	89.8	Confident	80 Å²	80	66.9 Å²	66.9	66%	0.661	39%	0.386	S	S	*	.	H	α-helix	trans	-69.8	-39.2	174.6	0	0	0	0	0	112.2	P109 K110 I111	P109-A113 VanDerWaalsContact O-CB 3.29Å; P109-A113 WeakPolarHBondContact O-CB 3.37Å; P109-A113 PolarHBondContact O-N 2.83Å; K110-A113 PolarHBondContact O-N 3.25Å; I111-A113 VanDerWaalsContact C-N 3.31Å; I111-A113 PolarHBondContact O-N 3.16Å
114	Q	89.1	Confident	89.7	Confident	140 Å²	140	69.3 Å²	69.3	65%	0.654	41%	0.407	S	S	*	.	H	α-helix	trans	-74.1	-32.1	176.8	-69.6	174.2	-0.6	0	0	112.7	K110 I111	K110-Q114 WeakPolarHBondContact O-CG 3.38Å; K110-Q114 PolarHBondContact O-N 3.39Å; I111-Q114 PolarHBondContact O-N 3.17Å
115	H	86	Confident	89.7	Confident	73 Å²	73	75.3 Å²	75.3	34%	0.338	43%	0.431	S	S	.	.			trans	-132.4	70.8	-176.8	-59.3	-67.1	0	0	0	111.1	I111 K112 S117 L118	I111-H115 WeakPolarHBondContact O-CB 3.49Å; I111-H115 PolarHBondContact O-N 3.13Å; K112-H115 CarbonylContact O-C 3.6Å; H115-S117 PolarHBondContact O-N 3.14Å; H115-S117 VanDerWaalsContact O-N 3.15Å; H115-L118 HydrophobicContact CB-CB 4.24Å; H115-L118 HydrophobicContact CB-CD1 3.41Å; H115-L118 VanDerWaalsContact CB-CD1 3.41Å; H115-L118 HydrophobicContact CB-CG 3.71Å; H115-L118 PolarHBondContact O-N 3.17Å; H115-L118 VanDerWaalsContact O-N 3.15Å
116	P	88.1	Confident	89.7	Confident	103 Å²	103	75.5 Å²	75.5	67%	0.669	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-16	-176.6	26.5	-34.8	0	0	0	113.7	K112	K112-P116 WeakPolarHBondContact O-CA 3.37Å; K112-P116 VanDerWaalsContact O-N 3.13Å
117	S	88.8	Confident	89.7	Confident	113 Å²	113	72.2 Å²	72.2	79%	0.79	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-14.9	177	54	0	0	0	0	114.3	H115	H115-S117 PolarHBondContact O-N 3.14Å; H115-S117 VanDerWaalsContact O-N 3.15Å
118	L	85.9	Confident	89.9	Confident	52 Å²	52	71.5 Å²	71.5	27%	0.272	40%	0.404	S	S	.	.	S	Bend	trans	-75.4	138.9	-178.7	-70.8	178.8	0	0	0	111.3	H115 D122 V123 K126	H115-L118 HydrophobicContact CB-CB 4.24Å; H115-L118 HydrophobicContact CB-CD1 3.41Å; H115-L118 VanDerWaalsContact CB-CD1 3.41Å; H115-L118 HydrophobicContact CB-CG 3.71Å; H115-L118 PolarHBondContact O-N 3.17Å; H115-L118 VanDerWaalsContact O-N 3.15Å; L118-D122 HydrophobicContact CB-CB 4.35Å; L118-D122 HydrophobicContact CD2-CB 4.23Å; L118-V123 HydrophobicContact CB-CG2 3.95Å; L118-K126 HydrophobicContact CD1-CD 4.12Å
119	G	89.6	Confident	90	Very high	35 Å²	35	72 Å²	72	36%	0.361	41%	0.41	S	S	.	.			trans	-65.6	157.7	173.1	0	0	0	0	0	111.3	G121 D122 V123	G119-G121 PolarHBondContact O-N 3.14Å; G119-D122 PolarHBondContact N-OD2 3.5Å; G119-D122 PolarHBondContact O-N 3.34Å; G119-D122 VanDerWaalsContact O-N 3.14Å; G119-V123 WeakPolarHBondContact O-CG2 3.2Å; G119-V123 PolarHBondContact O-N 2.91Å
120	I	88.1	Confident	89.9	Confident	76 Å²	76	72.3 Å²	72.3	39%	0.39	41%	0.405	S	S	.	.	H	α-helix	trans	-56.9	-37.7	177.4	-66.7	167.1	0	0	0	111.2	V123 A124 M184	I120-V123 PolarHBondContact O-N 3.48Å; I120-A124 WeakPolarHBondContact O-CB 3.46Å; I120-A124 PolarHBondContact O-N 2.99Å; I120-M184 HydrophobicContact CB-CE 3.81Å; I120-M184 HydrophobicContact CD1-CE 4.45Å; I120-M184 HydrophobicContact CD1-SD 4.31Å; I120-M184 HydrophobicContact CG2-CE 3.43Å; I120-M184 VanDerWaalsContact CG2-CE 3.43Å
121	G	89.9	Confident	89.9	Confident	37 Å²	37	68.4 Å²	68.4	38%	0.381	39%	0.388	S	S	.	.	H	α-helix	trans	-63.7	-43.3	176.9	0	0	0	0	0	112.9	G119 V123 A124 K125	G119-G121 PolarHBondContact O-N 3.14Å; G121-V123 VanDerWaalsContact C-N 3.34Å; G121-V123 PolarHBondContact O-N 3.14Å; G121-A124 WeakPolarHBondContact O-CB 3.42Å; G121-A124 PolarHBondContact O-N 3.46Å; G121-K125 WeakPolarHBondContact O-CG 3.1Å; G121-K125 PolarHBondContact O-N 3.15Å
122	D	90.3	Very high	90	Very high	78 Å²	78	73.8 Å²	73.8	42%	0.417	42%	0.416	S	S	.	.	H	α-helix	trans	-68.6	-35.5	178.7	-55.1	-46.3	0	0	0	111.8	L118 G119 A124 K126	L118-D122 HydrophobicContact CB-CB 4.35Å; L118-D122 HydrophobicContact CD2-CB 4.23Å; G119-D122 PolarHBondContact N-OD2 3.5Å; G119-D122 PolarHBondContact O-N 3.34Å; G119-D122 VanDerWaalsContact O-N 3.14Å; D122-A124 VanDerWaalsContact C-N 3.35Å; D122-K126 WeakPolarHBondContact O-CG 3.5Å; D122-K126 PolarHBondContact O-N 3.32Å; D122-K126 VanDerWaalsContact O-N 3.1Å
123	V	90.5	Very high	90.1	Very high	4 Å²	4	74.6 Å²	74.6	2%	0.024	43%	0.426	C	S	.	.	H	α-helix	trans	-64.9	-40.5	172.7	175.5	0	0	0	0	110.9	R108 I111 L118 G119 I120 G121 K126 L127	R108-V123 HydrophobicContact CG-CG1 3.94Å; I111-V123 HydrophobicContact CB-CG1 4.11Å; I111-V123 HydrophobicContact CG2-CB 4.44Å; I111-V123 HydrophobicContact CG2-CG1 3.92Å; I111-V123 HydrophobicContact CG2-CG2 4.1Å; L118-V123 HydrophobicContact CB-CG2 3.95Å; G119-V123 WeakPolarHBondContact O-CG2 3.2Å; G119-V123 PolarHBondContact O-N 2.91Å; I120-V123 PolarHBondContact O-N 3.48Å; G121-V123 VanDerWaalsContact C-N 3.34Å; G121-V123 PolarHBondContact O-N 3.14Å; V123-K126 PolarHBondContact O-N 3.26Å; V123-L127 HydrophobicContact CG1-CD1 4.06Å; V123-L127 VanDerWaalsContact O-CG 3.32Å; V123-L127 WeakPolarHBondContact O-CG 3.49Å; V123-L127 PolarHBondContact O-N 3.42Å
124	A	90.9	Very high	90	Very high	54 Å²	54	73.1 Å²	73.1	45%	0.446	41%	0.407	S	S	.	.	H	α-helix	trans	-64.6	-44.3	177.2	0	0	0	0	0	111.9	I120 G121 D122 K126 L127 G128	I120-A124 WeakPolarHBondContact O-CB 3.46Å; I120-A124 PolarHBondContact O-N 2.99Å; G121-A124 WeakPolarHBondContact O-CB 3.42Å; G121-A124 PolarHBondContact O-N 3.46Å; D122-A124 VanDerWaalsContact C-N 3.35Å; A124-K126 PolarHBondContact O-N 3.03Å; A124-L127 WeakPolarHBondContact O-CB 3.1Å; A124-L127 PolarHBondContact O-N 3.45Å; A124-L127 VanDerWaalsContact O-N 3.13Å; A124-G128 PolarHBondContact O-N 2.83Å
125	K	92.4	Very high	90.1	Very high	143 Å²	143	70.5 Å²	70.5	62%	0.622	40%	0.401	S	S	*	.	H	α-helix	trans	-56.9	-48.7	174.8	-71.8	178.2	-179.7	-179.6	0	112	G121 L127 G128 E129	G121-K125 WeakPolarHBondContact O-CG 3.1Å; G121-K125 PolarHBondContact O-N 3.15Å; K125-L127 VanDerWaalsContact C-N 3.28Å; K125-L127 PolarHBondContact O-N 3.34Å; K125-G128 PolarHBondContact O-N 3.34Å; K125-E129 PolarHBondContact O-N 3.42Å
126	K	90.3	Very high	90.2	Very high	71 Å²	71	72.3 Å²	72.3	31%	0.309	41%	0.413	S	S	.	.	H	α-helix	trans	-59.5	-37.1	175.7	-75.6	-174.5	173.7	-169.8	0	113.1	I111 L118 D122 V123 A124 Q130	I111-K126 HydrophobicContact CD1-CB 4.38Å; I111-K126 HydrophobicContact CG2-CD 4.43Å; L118-K126 HydrophobicContact CD1-CD 4.12Å; D122-K126 WeakPolarHBondContact O-CG 3.5Å; D122-K126 PolarHBondContact O-N 3.32Å; D122-K126 VanDerWaalsContact O-N 3.1Å; V123-K126 PolarHBondContact O-N 3.26Å; A124-K126 PolarHBondContact O-N 3.03Å; K126-Q130 WeakPolarHBondContact O-CB 3.3Å; K126-Q130 VanDerWaalsContact O-CG 3.28Å; K126-Q130 WeakPolarHBondContact O-CG 3.47Å; K126-Q130 PolarHBondContact O-N 3.27Å
127	L	92.2	Very high	90.3	Very high	3 Å²	3	71.2 Å²	71.2	2%	0.016	41%	0.412	C	S	.	.	H	α-helix	trans	-69.2	-39.4	176.9	-74	165.8	0	0	0	112.2	F103 C104 H107 R108 I111 V123 A124 K125 Q130 W131	F103-L127 HydrophobicContact CE1-CD2 3.99Å; C104-L127 HydrophobicContact CB-CD1 4.12Å; H107-L127 HydrophobicContact CB-CD2 3.38Å; R108-L127 HydrophobicContact CB-CD1 3.81Å; R108-L127 HydrophobicContact CG-CD1 4.3Å; I111-L127 HydrophobicContact CD1-CD2 3.49Å; I111-L127 VanDerWaalsContact CD1-CD2 3.49Å; I111-L127 HydrophobicContact CD1-CG 3.73Å; V123-L127 HydrophobicContact CG1-CD1 4.06Å; V123-L127 VanDerWaalsContact O-CG 3.32Å; V123-L127 WeakPolarHBondContact O-CG 3.49Å; V123-L127 PolarHBondContact O-N 3.42Å; A124-L127 WeakPolarHBondContact O-CB 3.1Å; A124-L127 PolarHBondContact O-N 3.45Å; A124-L127 VanDerWaalsContact O-N 3.13Å; K125-L127 VanDerWaalsContact C-N 3.28Å; K125-L127 PolarHBondContact O-N 3.34Å; L127-Q130 PolarHBondContact O-N 2.94Å; L127-W131 WeakPolarHBondContact O-CB 3.45Å; L127-W131 PolarHBondContact O-N 3.2Å
128	G	91.8	Very high	90.2	Very high	18 Å²	18	68.6 Å²	68.6	19%	0.186	39%	0.392	C	S	.	.	H	α-helix	trans	-60.3	-48.7	174	0	0	0	0	0	111.8	A124 K125 Q130 W131 N132	A124-G128 PolarHBondContact O-N 2.83Å; K125-G128 PolarHBondContact O-N 3.34Å; G128-Q130 VanDerWaalsContact C-N 3.35Å; G128-Q130 PolarHBondContact O-N 3.47Å; G128-W131 PolarHBondContact O-N 2.88Å; G128-N132 PolarHBondContact O-N 2.99Å
129	E	92.8	Very high	90.4	Very high	118 Å²	118	67.6 Å²	67.6	55%	0.551	39%	0.385	S	S	*	.	H	α-helix	trans	-59.1	-44.3	174.9	-70.1	170.5	-173.5	0	0	112	K125 N132 N133	K125-E129 PolarHBondContact O-N 3.42Å; E129-N132 PolarHBondContact O-N 3.22Å; E129-N133 WeakPolarHBondContact O-CB 3.48Å; E129-N133 PolarHBondContact O-N 3.35Å; E129-N133 VanDerWaalsContact O-N 3.1Å; E129-N133 PolarHBondContact O-ND2 3.44Å
130	Q	90.5	Very high	90.6	Very high	82 Å²	82	70.3 Å²	70.3	38%	0.383	39%	0.389	S	S	.	.	H	α-helix	trans	-61.9	-45.5	176.6	-77.4	179	12.5	0	0	111.6	F103 K126 L127 G128 N132 N133 L134	F103-Q130 HydrophobicContact CE1-CB 4.36Å; F103-Q130 HydrophobicContact CZ-CB 4.13Å; K126-Q130 WeakPolarHBondContact O-CB 3.3Å; K126-Q130 VanDerWaalsContact O-CG 3.28Å; K126-Q130 WeakPolarHBondContact O-CG 3.47Å; K126-Q130 PolarHBondContact O-N 3.27Å; L127-Q130 PolarHBondContact O-N 2.94Å; G128-Q130 VanDerWaalsContact C-N 3.35Å; G128-Q130 PolarHBondContact O-N 3.47Å; Q130-N132 PolarHBondContact O-N 3.43Å; Q130-N133 CarbonylContact O-C 3.53Å; Q130-N133 PolarHBondContact O-N 2.81Å; Q130-L134 WeakPolarHBondContact O-CG 2.99Å; Q130-L134 PolarHBondContact O-N 3.49Å
131	W	91.6	Very high	90.8	Very high	31 Å²	31	69.5 Å²	69.5	12%	0.117	39%	0.388	C	S	.	.	H	α-helix	trans	-60.4	-44.8	178.1	178.4	-101.7	0	0	0	112	F100 F103 L127 G128 N133 L134 K139 Y142 L143	F100-W131 HydrophobicContact CB-CD2 4.32Å; F100-W131 HydrophobicContact CB-CZ2 4.41Å; F100-W131 HydrophobicContact CD2-CB 3.58Å; F100-W131 AromaticContact CD2-CD1 3.72Å; F100-W131 AromaticContact CD2-CD2 3.78Å; F100-W131 HydrophobicContact CD2-CD2 3.78Å; F100-W131 HydrophobicContact CD2-CE3 4.39Å; F100-W131 AromaticContact CD2-CG 3.4Å; F100-W131 HydrophobicContact CD2-CG 3.4Å; F100-W131 HydrophobicContact CE2-CB 3.64Å; F100-W131 AromaticContact CE2-CG 3.98Å; F100-W131 HydrophobicContact CE2-CG 3.98Å; F100-W131 HydrophobicContact CG-CG 4.39Å; F103-W131 HydrophobicContact CB-CE3 3.61Å; F103-W131 HydrophobicContact CB-CZ3 3.55Å; F103-W131 HydrophobicContact CD1-CB 4.22Å; F103-W131 HydrophobicContact CD1-CD2 4.45Å; F103-W131 AromaticContact CD1-CE3 3.69Å; F103-W131 HydrophobicContact CD1-CE3 3.69Å; F103-W131 HydrophobicContact CD1-CZ3 4.49Å; F103-W131 HydrophobicContact CD2-CE3 4.07Å; F103-W131 HydrophobicContact CD2-CZ3 4.31Å; F103-W131 HydrophobicContact CE1-CB 4.13Å; F103-W131 HydrophobicContact CE1-CE3 4.39Å; F103-W131 AromaticContact CG-CE3 3.51Å; F103-W131 HydrophobicContact CG-CE3 3.51Å; F103-W131 AromaticContact CG-CZ3 3.88Å; F103-W131 HydrophobicContact CG-CZ3 3.88Å; L127-W131 WeakPolarHBondContact O-CB 3.45Å; L127-W131 PolarHBondContact O-N 3.2Å; G128-W131 PolarHBondContact O-N 2.88Å; W131-N133 VanDerWaalsContact C-N 3.27Å; W131-N133 PolarHBondContact O-N 3Å; W131-L134 HydrophobicContact CE3-CD1 3.95Å; W131-L134 HydrophobicContact CZ3-CD1 4.38Å; W131-L134 WeakPolarHBondContact O-CB 3.2Å; W131-L134 PolarHBondContact O-N 3.05Å; W131-L134 VanDerWaalsContact O-N 3.14Å; W131-K139 HydrophobicContact CE3-CG 4.4Å; W131-K139 HydrophobicContact CH2-CB 3.98Å; W131-K139 HydrophobicContact CH2-CG 3.95Å; W131-K139 HydrophobicContact CZ2-CB 4.31Å; W131-K139 HydrophobicContact CZ2-CD 4.33Å; W131-K139 HydrophobicContact CZ2-CG 4.07Å; W131-K139 HydrophobicContact CZ3-CB 4.45Å; W131-K139 HydrophobicContact CZ3-CG 4.11Å; W131-K139 WeakPolarHBondContact O-CE 3.42Å; W131-K139 PolarHBondContact O-NZ 3.47Å; W131-Y142 AromaticContact CZ3-CD2 3.99Å; W131-Y142 HydrophobicContact CZ3-CD2 3.99Å; W131-Y142 HydrophobicContact CZ3-CG 4.16Å; W131-L143 HydrophobicContact CZ2-CD2 4.33Å
132	N	91.2	Very high	90.9	Very high	119 Å²	119	69.7 Å²	69.7	64%	0.636	38%	0.378	S	S	*	.	H	α-helix	trans	-63.7	-35.9	178.8	-70.8	-16.3	0	0	0	112	G128 E129 Q130 L134 K139	G128-N132 PolarHBondContact O-N 2.99Å; E129-N132 PolarHBondContact O-N 3.22Å; Q130-N132 PolarHBondContact O-N 3.43Å; N132-L134 VanDerWaalsContact C-N 3.34Å; N132-L134 PolarHBondContact O-N 3.34Å; N132-K139 PolarHBondContact O-NZ 3.15Å
133	N	91.3	Very high	90.9	Very high	136 Å²	136	69 Å²	69	73%	0.727	37%	0.374	S	S	*	.	H	α-helix	trans	-79.3	-8.7	176.7	-70.2	-48.1	0	0	0	114.7	E129 Q130 W131	E129-N133 WeakPolarHBondContact O-CB 3.48Å; E129-N133 PolarHBondContact O-N 3.35Å; E129-N133 VanDerWaalsContact O-N 3.1Å; E129-N133 PolarHBondContact O-ND2 3.44Å; Q130-N133 CarbonylContact O-C 3.53Å; Q130-N133 PolarHBondContact O-N 2.81Å; W131-N133 VanDerWaalsContact C-N 3.27Å; W131-N133 PolarHBondContact O-N 3Å
134	L	89.6	Confident	91	Very high	49 Å²	49	73.8 Å²	73.8	26%	0.257	40%	0.398	S	S	.	.	S	Bend	trans	-70.5	142.1	174.7	-76.2	-177.2	0	0	0	110.8	F103 Q130 W131 N132 T138 K139	F103-L134 HydrophobicContact CD2-CD1 3.96Å; F103-L134 HydrophobicContact CE2-CD1 3.6Å; F103-L134 HydrophobicContact CZ-CD1 4.05Å; Q130-L134 WeakPolarHBondContact O-CG 2.99Å; Q130-L134 PolarHBondContact O-N 3.49Å; W131-L134 HydrophobicContact CE3-CD1 3.95Å; W131-L134 HydrophobicContact CZ3-CD1 4.38Å; W131-L134 WeakPolarHBondContact O-CB 3.2Å; W131-L134 PolarHBondContact O-N 3.05Å; W131-L134 VanDerWaalsContact O-N 3.14Å; N132-L134 VanDerWaalsContact C-N 3.34Å; N132-L134 PolarHBondContact O-N 3.34Å; L134-T138 WeakPolarHBondContact CB-OG1 3.45Å; L134-K139 HydrophobicContact CB-CD 4.45Å; L134-K139 HydrophobicContact CB-CG 3.89Å; L134-K139 WeakPolarHBondContact O-CE 3.31Å; L134-K139 PolarHBondContact O-NZ 3.04Å; L134-K139 VanDerWaalsContact O-NZ 3.07Å
135	T	91.4	Very high	91	Very high	86 Å²	86	76.3 Å²	76.3	53%	0.528	40%	0.399	S	S	.	.			trans	-73.6	154.3	172.3	62.3	0	0	0	0	110.8	A137 T138 K139	T135-A137 PolarHBondContact O-N 3.22Å; T135-T138 PolarHBondContact N-OG1 3Å; T135-T138 PolarHBondContact O-N 2.89Å; T135-T138 PolarHBondContact O-OG1 3.17Å; T135-T138 PolarHBondContact OG1-OG1 3.39Å; T135-K139 PolarHBondContact O-N 3.26Å
136	D	88	Confident	90.9	Very high	111 Å²	111	70 Å²	70	59%	0.594	37%	0.374	S	S	*	.	H	α-helix	trans	-56.8	-39.6	-178.9	-61.5	-28.8	0	0	0	112	T138 K139 Q140	D136-T138 PolarHBondContact O-N 3.18Å; D136-T138 VanDerWaalsContact O-N 3.14Å; D136-K139 CarbonylContact O-C 3.33Å; D136-K139 PolarHBondContact O-N 2.84Å; D136-Q140 WeakPolarHBondContact O-CB 3.4Å; D136-Q140 VanDerWaalsContact O-CG 3.23Å; D136-Q140 WeakPolarHBondContact O-CG 3.45Å; D136-Q140 PolarHBondContact O-N 3.29Å
137	A	88.9	Confident	91	Very high	79 Å²	79	70.8 Å²	70.8	65%	0.653	38%	0.381	S	S	*	.	H	α-helix	trans	-54.9	-35	175.3	0	0	0	0	0	113.4	T135 P141	T135-A137 PolarHBondContact O-N 3.22Å; A137-P141 WeakPolarHBondContact O-CD 3.47Å
138	T	87.8	Confident	91	Very high	59 Å²	59	78.3 Å²	78.3	36%	0.362	41%	0.414	S	S	.	.	H	α-helix	trans	-85.2	-26	177.6	61.6	0	0	0	0	113.1	L134 T135 D136 P141 Y142	L134-T138 WeakPolarHBondContact CB-OG1 3.45Å; T135-T138 PolarHBondContact N-OG1 3Å; T135-T138 PolarHBondContact O-N 2.89Å; T135-T138 PolarHBondContact O-OG1 3.17Å; T135-T138 PolarHBondContact OG1-OG1 3.39Å; D136-T138 PolarHBondContact O-N 3.18Å; D136-T138 VanDerWaalsContact O-N 3.14Å; T138-P141 WeakPolarHBondContact O-CD 3.2Å; T138-P141 WeakPolarHBondContact O-CG 3.26Å; T138-Y142 VanDerWaalsContact O-CD2 3.23Å; T138-Y142 WeakPolarHBondContact O-CD2 3.3Å; T138-Y142 WeakPolarHBondContact O-CE2 3.46Å
139	K	90.4	Very high	90.9	Very high	31 Å²	31	80.9 Å²	80.9	14%	0.135	42%	0.423	C	S	.	.	H	α-helix	trans	-75.4	-37.3	172.6	-68	173.3	175.2	162	0	112.3	W131 N132 L134 T135 D136 Y142 L143	W131-K139 HydrophobicContact CE3-CG 4.4Å; W131-K139 HydrophobicContact CH2-CB 3.98Å; W131-K139 HydrophobicContact CH2-CG 3.95Å; W131-K139 HydrophobicContact CZ2-CB 4.31Å; W131-K139 HydrophobicContact CZ2-CD 4.33Å; W131-K139 HydrophobicContact CZ2-CG 4.07Å; W131-K139 HydrophobicContact CZ3-CB 4.45Å; W131-K139 HydrophobicContact CZ3-CG 4.11Å; W131-K139 WeakPolarHBondContact O-CE 3.42Å; W131-K139 PolarHBondContact O-NZ 3.47Å; N132-K139 PolarHBondContact O-NZ 3.15Å; L134-K139 HydrophobicContact CB-CD 4.45Å; L134-K139 HydrophobicContact CB-CG 3.89Å; L134-K139 WeakPolarHBondContact O-CE 3.31Å; L134-K139 PolarHBondContact O-NZ 3.04Å; L134-K139 VanDerWaalsContact O-NZ 3.07Å; T135-K139 PolarHBondContact O-N 3.26Å; D136-K139 CarbonylContact O-C 3.33Å; D136-K139 PolarHBondContact O-N 2.84Å; K139-Y142 WeakPolarHBondContact O-CA 3.29Å; K139-Y142 WeakPolarHBondContact O-CB 3.38Å; K139-Y142 PolarHBondContact O-N 2.92Å; K139-L143 HydrophobicContact CB-CD1 4.36Å; K139-L143 PolarHBondContact O-N 3.04Å
140	Q	92.3	Very high	90.8	Very high	91 Å²	91	80.5 Å²	80.5	43%	0.425	42%	0.42	S	S	.	.	H	α-helix	trans	-44.6	-51	-178	-82.1	-51.8	-45.6	0	0	114.3	D136 Y142 L143 I144	D136-Q140 WeakPolarHBondContact O-CB 3.4Å; D136-Q140 VanDerWaalsContact O-CG 3.23Å; D136-Q140 WeakPolarHBondContact O-CG 3.45Å; D136-Q140 PolarHBondContact O-N 3.29Å; Q140-Y142 PolarHBondContact O-N 2.97Å; Q140-L143 PolarHBondContact O-N 3.14Å; Q140-L143 VanDerWaalsContact O-N 3.17Å; Q140-I144 WeakPolarHBondContact O-CB 3.42Å; Q140-I144 VanDerWaalsContact O-CG1 3.26Å; Q140-I144 WeakPolarHBondContact O-CG1 3.4Å; Q140-I144 PolarHBondContact O-N 3.29Å
141	P	93.3	Very high	90.8	Very high	59 Å²	59	80.6 Å²	80.6	38%	0.383	42%	0.423	S	S	.	.	H	α-helix	trans	-61.8	-30.6	179	23.8	-35.3	0	0	0	113.5	A137 T138 K145	A137-P141 WeakPolarHBondContact O-CD 3.47Å; T138-P141 WeakPolarHBondContact O-CD 3.2Å; T138-P141 WeakPolarHBondContact O-CG 3.26Å; P141-K145 WeakPolarHBondContact O-CB 3.4Å; P141-K145 WeakPolarHBondContact O-CD 3.49Å; P141-K145 WeakPolarHBondContact O-CG 3.32Å; P141-K145 PolarHBondContact O-N 3.44Å
142	Y	91.8	Very high	90.7	Very high	41 Å²	41	85.3 Å²	85.3	16%	0.161	44%	0.444	C	S	.	.	H	α-helix	trans	-76.5	-38.8	175.8	-59.2	-79.1	0	0	0	111.6	I102 F103 H107 W131 T138 K139 Q140 K145 A146	I102-Y142 HydrophobicContact CB-CD1 4.46Å; I102-Y142 HydrophobicContact CG2-CD1 3.95Å; F103-Y142 HydrophobicContact CB-CD1 4.07Å; F103-Y142 HydrophobicContact CB-CE1 4.23Å; F103-Y142 HydrophobicContact CB-CG 4.26Å; F103-Y142 HydrophobicContact CD2-CE1 4.43Å; F103-Y142 HydrophobicContact CD2-CE2 4.09Å; H107-Y142 PolarHBondContact CE1-OH 2.86Å; W131-Y142 AromaticContact CZ3-CD2 3.99Å; W131-Y142 HydrophobicContact CZ3-CD2 3.99Å; W131-Y142 HydrophobicContact CZ3-CG 4.16Å; T138-Y142 VanDerWaalsContact O-CD2 3.23Å; T138-Y142 WeakPolarHBondContact O-CD2 3.3Å; T138-Y142 WeakPolarHBondContact O-CE2 3.46Å; K139-Y142 WeakPolarHBondContact O-CA 3.29Å; K139-Y142 WeakPolarHBondContact O-CB 3.38Å; K139-Y142 PolarHBondContact O-N 2.92Å; Q140-Y142 PolarHBondContact O-N 2.97Å; Y142-K145 PolarHBondContact O-N 2.8Å; Y142-A146 WeakPolarHBondContact O-CB 3.48Å; Y142-A146 PolarHBondContact O-N 3.03Å
143	L	90.1	Very high	90.6	Very high	65 Å²	65	82.4 Å²	82.4	34%	0.34	43%	0.425	S	S	.	.	H	α-helix	trans	-64.1	-45.1	174.5	-63.7	177.2	0	0	0	111.5	W131 K139 Q140 K145 A146 N147	W131-L143 HydrophobicContact CZ2-CD2 4.33Å; K139-L143 HydrophobicContact CB-CD1 4.36Å; K139-L143 PolarHBondContact O-N 3.04Å; Q140-L143 PolarHBondContact O-N 3.14Å; Q140-L143 VanDerWaalsContact O-N 3.17Å; L143-K145 VanDerWaalsContact C-N 3.34Å; L143-K145 PolarHBondContact O-N 3.43Å; L143-A146 WeakPolarHBondContact O-CB 3.46Å; L143-A146 PolarHBondContact O-N 2.82Å; L143-A146 VanDerWaalsContact O-N 3.15Å; L143-N147 WeakPolarHBondContact O-CB 3.47Å; L143-N147 PolarHBondContact O-N 3.47Å; L143-N147 PolarHBondContact O-ND2 3.04Å
144	I	91.9	Very high	90.5	Very high	104 Å²	104	81 Å²	81	53%	0.533	41%	0.414	S	S	.	.	H	α-helix	trans	-59.9	-44.1	175.3	-67.1	164.8	0	0	0	110.8	Q140 N147 K148	Q140-I144 WeakPolarHBondContact O-CB 3.42Å; Q140-I144 VanDerWaalsContact O-CG1 3.26Å; Q140-I144 WeakPolarHBondContact O-CG1 3.4Å; Q140-I144 PolarHBondContact O-N 3.29Å; I144-N147 PolarHBondContact O-N 3.24Å; I144-K148 WeakPolarHBondContact O-CB 3.27Å; I144-K148 PolarHBondContact O-N 3.45Å
145	K	90.8	Very high	90.4	Very high	107 Å²	107	85.3 Å²	85.3	47%	0.465	43%	0.43	S	S	.	.	H	α-helix	trans	-61.5	-43.1	175	-76.8	172.2	-176.1	177.4	0	111.7	I102 P141 Y142 L143 K148 L149	I102-K145 HydrophobicContact CD1-CB 4.05Å; I102-K145 HydrophobicContact CG2-CD 4.45Å; P141-K145 WeakPolarHBondContact O-CB 3.4Å; P141-K145 WeakPolarHBondContact O-CD 3.49Å; P141-K145 WeakPolarHBondContact O-CG 3.32Å; P141-K145 PolarHBondContact O-N 3.44Å; Y142-K145 PolarHBondContact O-N 2.8Å; L143-K145 VanDerWaalsContact C-N 3.34Å; L143-K145 PolarHBondContact O-N 3.43Å; K145-K148 PolarHBondContact O-N 3.06Å; K145-L149 WeakPolarHBondContact O-CG 3.49Å; K145-L149 PolarHBondContact O-N 3.49Å; K145-L149 VanDerWaalsContact O-N 3.14Å
146	A	91.7	Very high	90.1	Very high	11 Å²	11	84.6 Å²	84.6	9%	0.091	42%	0.423	C	S	.	.	H	α-helix	trans	-64.5	-45.4	178.1	0	0	0	0	0	111.9	G99 I102 Y142 L143 K148 L149 K150	G99-A146 VanDerWaalsContact N-CB 3.32Å; I102-A146 HydrophobicContact CD1-CB 3.89Å; Y142-A146 WeakPolarHBondContact O-CB 3.48Å; Y142-A146 PolarHBondContact O-N 3.03Å; L143-A146 WeakPolarHBondContact O-CB 3.46Å; L143-A146 PolarHBondContact O-N 2.82Å; L143-A146 VanDerWaalsContact O-N 3.15Å; A146-K148 PolarHBondContact O-N 3.21Å; A146-L149 PolarHBondContact O-N 2.96Å; A146-L149 VanDerWaalsContact O-N 3.13Å; A146-K150 WeakPolarHBondContact O-CB 3.31Å; A146-K150 PolarHBondContact O-N 3.44Å
147	N	91.2	Very high	90	Very high	87 Å²	87	80.5 Å²	80.5	47%	0.465	40%	0.402	S	S	.	.	H	α-helix	trans	-60.6	-44	176.9	-75	-24	0	0	0	111.4	L143 I144 L149 K150 D151	L143-N147 WeakPolarHBondContact O-CB 3.47Å; L143-N147 PolarHBondContact O-N 3.47Å; L143-N147 PolarHBondContact O-ND2 3.04Å; I144-N147 PolarHBondContact O-N 3.24Å; N147-L149 VanDerWaalsContact C-N 3.28Å; N147-L149 PolarHBondContact O-N 3.47Å; N147-K150 WeakPolarHBondContact O-CA 3.29Å; N147-K150 VanDerWaalsContact O-CB 3.3Å; N147-K150 WeakPolarHBondContact O-CB 3.22Å; N147-K150 PolarHBondContact O-N 2.97Å; N147-D151 VanDerWaalsContact O-CG 3.27Å; N147-D151 PolarHBondContact O-N 3.44Å
148	K	92.9	Very high	89.8	Confident	160 Å²	160	79.3 Å²	79.3	70%	0.696	39%	0.392	S	S	*	.	H	α-helix	trans	-60.1	-37.2	175	-172.9	173.4	-177.4	172.6	0	113.1	I144 K145 A146 K152	I144-K148 WeakPolarHBondContact O-CB 3.27Å; I144-K148 PolarHBondContact O-N 3.45Å; K145-K148 PolarHBondContact O-N 3.06Å; A146-K148 PolarHBondContact O-N 3.21Å; K148-K152 PolarHBondContact O-N 2.94Å
149	L	90.3	Very high	89.6	Confident	73 Å²	73	80.5 Å²	80.5	38%	0.382	40%	0.396	S	S	.	.	H	α-helix	trans	-72.4	-35	175	-68.6	173.1	0	0	0	111.9	P96 P97 I102 K145 A146 N147 K152 Y153	P96-L149 HydrophobicContact CB-CB 3.77Å; P97-L149 HydrophobicContact CG-CD1 4.12Å; I102-L149 HydrophobicContact CD1-CD1 4.04Å; K145-L149 WeakPolarHBondContact O-CG 3.49Å; K145-L149 PolarHBondContact O-N 3.49Å; K145-L149 VanDerWaalsContact O-N 3.14Å; A146-L149 PolarHBondContact O-N 2.96Å; A146-L149 VanDerWaalsContact O-N 3.13Å; N147-L149 VanDerWaalsContact C-N 3.28Å; N147-L149 PolarHBondContact O-N 3.47Å; L149-K152 PolarHBondContact O-N 3.13Å; L149-Y153 WeakPolarHBondContact O-CB 3.41Å; L149-Y153 PolarHBondContact O-N 3.42Å
150	K	90	Very high	89.3	Confident	110 Å²	110	83.4 Å²	83.4	48%	0.478	41%	0.407	S	S	.	.	H	α-helix	trans	-60.8	-48.2	172.8	-170.4	-179.5	177.8	-178.1	0	111.1	A146 N147 K152 Y153 Q154	A146-K150 WeakPolarHBondContact O-CB 3.31Å; A146-K150 PolarHBondContact O-N 3.44Å; N147-K150 WeakPolarHBondContact O-CA 3.29Å; N147-K150 VanDerWaalsContact O-CB 3.3Å; N147-K150 WeakPolarHBondContact O-CB 3.22Å; N147-K150 PolarHBondContact O-N 2.97Å; K150-K152 VanDerWaalsContact C-N 3.32Å; K150-K152 PolarHBondContact O-N 3.05Å; K150-Y153 WeakPolarHBondContact O-CB 3.34Å; K150-Y153 PolarHBondContact O-N 3.43Å; K150-Q154 WeakPolarHBondContact O-CG 3.39Å; K150-Q154 PolarHBondContact O-N 3.49Å
151	D	90.7	Very high	88.6	Confident	83 Å²	83	87.3 Å²	87.3	44%	0.444	42%	0.423	S	S	.	.	H	α-helix	trans	-62	-40.9	178.7	-62.4	-17.3	0	0	0	111.9	N147 Q154 K155	N147-D151 VanDerWaalsContact O-CG 3.27Å; N147-D151 PolarHBondContact O-N 3.44Å; D151-Q154 PolarHBondContact O-N 3.46Å; D151-K155 WeakPolarHBondContact O-CG 3.32Å; D151-K155 PolarHBondContact O-N 3.29Å; D151-K155 VanDerWaalsContact O-N 3.17Å
152	K	89.2	Confident	88	Confident	131 Å²	131	87.7 Å²	87.7	57%	0.57	43%	0.427	S	S	*	.	H	α-helix	trans	-62.9	-46.7	175	-174	-179.6	176.6	-177.4	0	111.2	K148 L149 K150 Q154 K155 D156	K148-K152 PolarHBondContact O-N 2.94Å; L149-K152 PolarHBondContact O-N 3.13Å; K150-K152 VanDerWaalsContact C-N 3.32Å; K150-K152 PolarHBondContact O-N 3.05Å; K152-Q154 VanDerWaalsContact C-N 3.32Å; K152-Q154 PolarHBondContact O-N 3.48Å; K152-K155 WeakPolarHBondContact O-CB 3.23Å; K152-K155 PolarHBondContact O-N 3.01Å; K152-D156 VanDerWaalsContact O-CG 3.31Å; K152-D156 PolarHBondContact O-N 3.36Å
153	Y	90	Very high	86.8	Confident	58 Å²	58	89.1 Å²	89.1	23%	0.227	45%	0.454	C	S	.	.	H	α-helix	trans	-61.2	-40.7	177.7	172.4	-102.3	0	0	0	112.3	P93 K94 P96 L149 K150 K155 D156 V157	P93-Y153 HydrophobicContact CB-CD2 3.84Å; P93-Y153 HydrophobicContact CB-CE2 3.63Å; P93-Y153 WeakPolarHBondContact O-CE2 3.47Å; K94-Y153 WeakPolarHBondContact O-CD2 3.47Å; K94-Y153 WeakPolarHBondContact O-CE2 3.5Å; P96-Y153 HydrophobicContact CG-CD1 4.45Å; P96-Y153 HydrophobicContact CG-CG 4.16Å; L149-Y153 WeakPolarHBondContact O-CB 3.41Å; L149-Y153 PolarHBondContact O-N 3.42Å; K150-Y153 WeakPolarHBondContact O-CB 3.34Å; K150-Y153 PolarHBondContact O-N 3.43Å; Y153-K155 VanDerWaalsContact C-N 3.31Å; Y153-K155 PolarHBondContact O-N 2.77Å; Y153-D156 PolarHBondContact O-N 3Å; Y153-V157 HydrophobicContact CD1-CG2 4.08Å; Y153-V157 HydrophobicContact CD2-CG2 4.03Å; Y153-V157 HydrophobicContact CE1-CG2 3.65Å; Y153-V157 HydrophobicContact CE2-CG2 3.61Å; Y153-V157 HydrophobicContact CG-CG2 4.26Å; Y153-V157 WeakPolarHBondContact O-CB 3.39Å; Y153-V157 VanDerWaalsContact O-CG2 3.25Å; Y153-V157 WeakPolarHBondContact O-CG2 3.23Å; Y153-V157 PolarHBondContact O-N 3.01Å
154	Q	87.5	Confident	85.3	Confident	106 Å²	106	94 Å²	94	50%	0.495	47%	0.473	S	S	.	.	H	α-helix	trans	-60.5	-41.3	176.6	-74.2	176.9	-3.8	0	0	111.8	K150 D151 K152 V157 A158	K150-Q154 WeakPolarHBondContact O-CG 3.39Å; K150-Q154 PolarHBondContact O-N 3.49Å; D151-Q154 PolarHBondContact O-N 3.46Å; K152-Q154 VanDerWaalsContact C-N 3.32Å; K152-Q154 PolarHBondContact O-N 3.48Å; Q154-V157 PolarHBondContact O-N 3.17Å; Q154-A158 WeakPolarHBondContact O-CB 3.43Å; Q154-A158 PolarHBondContact O-N 2.87Å
155	K	88.1	Confident	83.2	Confident	139 Å²	139	91.7 Å²	91.7	60%	0.604	47%	0.474	S	S	*	.	H	α-helix	trans	-63.5	-49.6	173.2	-69.1	172.1	-177.7	169.6	0	111.7	D151 K152 Y153 V157 A158 D159	D151-K155 WeakPolarHBondContact O-CG 3.32Å; D151-K155 PolarHBondContact O-N 3.29Å; D151-K155 VanDerWaalsContact O-N 3.17Å; K152-K155 WeakPolarHBondContact O-CB 3.23Å; K152-K155 PolarHBondContact O-N 3.01Å; Y153-K155 VanDerWaalsContact C-N 3.31Å; Y153-K155 PolarHBondContact O-N 2.77Å; K155-V157 PolarHBondContact O-N 3.15Å; K155-A158 WeakPolarHBondContact O-CB 3.28Å; K155-A158 PolarHBondContact O-N 3.45Å; K155-D159 PolarHBondContact O-N 3.1Å
156	D	84.7	Confident	81.1	Confident	71 Å²	71	96.1 Å²	96.1	38%	0.38	49%	0.493	S	S	.	.	H	α-helix	trans	-59.4	-36.9	178.6	-66.1	-15.7	0	0	0	111.7	P93 K152 Y153 Y160	P93-D156 HydrophobicContact CB-CB 4.15Å; P93-D156 HydrophobicContact CG-CB 4.01Å; K152-D156 VanDerWaalsContact O-CG 3.31Å; K152-D156 PolarHBondContact O-N 3.36Å; Y153-D156 PolarHBondContact O-N 3Å; D156-Y160 VanDerWaalsContact O-CB 3.3Å; D156-Y160 WeakPolarHBondContact O-CB 3.46Å; D156-Y160 PolarHBondContact O-N 3.42Å
157	V	85.7	Confident	79.2	Confident	26 Å²	26	102.2 Å²	102.2	16%	0.158	53%	0.529	C	S	.	.	H	α-helix	trans	-69.9	-40.1	174.9	169.2	0	0	0	0	111.9	P93 Y153 Q154 K155 D159 Y160 K161	P93-V157 HydrophobicContact CB-CG2 3.96Å; P93-V157 HydrophobicContact CG-CG2 4.02Å; Y153-V157 HydrophobicContact CD1-CG2 4.08Å; Y153-V157 HydrophobicContact CD2-CG2 4.03Å; Y153-V157 HydrophobicContact CE1-CG2 3.65Å; Y153-V157 HydrophobicContact CE2-CG2 3.61Å; Y153-V157 HydrophobicContact CG-CG2 4.26Å; Y153-V157 WeakPolarHBondContact O-CB 3.39Å; Y153-V157 VanDerWaalsContact O-CG2 3.25Å; Y153-V157 WeakPolarHBondContact O-CG2 3.23Å; Y153-V157 PolarHBondContact O-N 3.01Å; Q154-V157 PolarHBondContact O-N 3.17Å; K155-V157 PolarHBondContact O-N 3.15Å; V157-D159 VanDerWaalsContact C-N 3.34Å; V157-Y160 PolarHBondContact O-N 3.14Å; V157-K161 HydrophobicContact CG1-CD 4.04Å; V157-K161 HydrophobicContact CG1-CG 4.33Å; V157-K161 WeakPolarHBondContact O-CB 3.39Å; V157-K161 VanDerWaalsContact O-CG 3.31Å; V157-K161 WeakPolarHBondContact O-CG 3.36Å; V157-K161 PolarHBondContact O-N 3.49Å
158	A	85.8	Confident	76.7	Confident	54 Å²	54	101.5 Å²	101.5	45%	0.446	54%	0.542	S	S	.	.	H	α-helix	trans	-63.5	-40.7	175.7	0	0	0	0	0	111.5	Q154 K155 K161 S162	Q154-A158 WeakPolarHBondContact O-CB 3.43Å; Q154-A158 PolarHBondContact O-N 2.87Å; K155-A158 WeakPolarHBondContact O-CB 3.28Å; K155-A158 PolarHBondContact O-N 3.45Å; A158-K161 PolarHBondContact O-N 2.94Å; A158-S162 WeakPolarHBondContact O-CB 3.45Å; A158-S162 PolarHBondContact O-N 3.43Å; A158-S162 PolarHBondContact O-OG 3.24Å
159	D	83.8	Confident	74.2	Confident	83 Å²	83	98.4 Å²	98.4	44%	0.444	55%	0.547	S	S	.	.	H	α-helix	trans	-68.7	-37.8	175.6	-71.5	-24.6	0	0	0	112.4	K155 V157 S162 G163 K164 G165	K155-D159 PolarHBondContact O-N 3.1Å; V157-D159 VanDerWaalsContact C-N 3.34Å; D159-S162 WeakPolarHBondContact CA-OG 3.09Å; D159-S162 PolarHBondContact O-OG 3.32Å; D159-G163 PolarHBondContact O-N 3.05Å; D159-K164 PolarHBondContact O-N 2.73Å; D159-G165 PolarHBondContact O-N 2.9Å
160	Y	82.8	Confident	71.7	Confident	92 Å²	92	100.9 Å²	100.9	36%	0.361	57%	0.567	S	S	.	*	H	α-helix	trans	-63.8	-46.1	172.9	179.3	-102.7	0	0	0	111.9	N91 A92 P93 D156 V157 S162 G163	N91-Y160 HydrophobicContact CB-CE2 4.09Å; N91-Y160 WeakPolarHBondContact O-CD2 2.78Å; N91-Y160 VanDerWaalsContact O-CE2 3.25Å; N91-Y160 WeakPolarHBondContact O-CE2 3.41Å; A92-Y160 HydrophobicContact CB-CE1 4.18Å; P93-Y160 HydrophobicContact CG-CG 4.43Å; D156-Y160 VanDerWaalsContact O-CB 3.3Å; D156-Y160 WeakPolarHBondContact O-CB 3.46Å; D156-Y160 PolarHBondContact O-N 3.42Å; V157-Y160 PolarHBondContact O-N 3.14Å; Y160-S162 VanDerWaalsContact C-N 3.32Å; Y160-S162 PolarHBondContact O-N 3.49Å; Y160-G163 PolarHBondContact O-N 3.26Å
161	K	79.2	Confident	69.2	Low	173 Å²	173	101 Å²	101	75%	0.752	58%	0.582	S	S	*	*	H	α-helix	trans	-66.2	-31.8	178.9	-76.2	179.2	177.9	-174.8	0	112.9	V157 A158 G163	V157-K161 HydrophobicContact CG1-CD 4.04Å; V157-K161 HydrophobicContact CG1-CG 4.33Å; V157-K161 WeakPolarHBondContact O-CB 3.39Å; V157-K161 VanDerWaalsContact O-CG 3.31Å; V157-K161 WeakPolarHBondContact O-CG 3.36Å; V157-K161 PolarHBondContact O-N 3.49Å; A158-K161 PolarHBondContact O-N 2.94Å; K161-G163 VanDerWaalsContact C-N 3.3Å; K161-G163 PolarHBondContact O-N 3.43Å
162	S	79.6	Confident	66.4	Low	68 Å²	68	105.4 Å²	105.4	48%	0.476	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.4	4.6	179.8	63.2	0	0	0	0	114.4	A158 D159 Y160 K164	A158-S162 WeakPolarHBondContact O-CB 3.45Å; A158-S162 PolarHBondContact O-N 3.43Å; A158-S162 PolarHBondContact O-OG 3.24Å; D159-S162 WeakPolarHBondContact CA-OG 3.09Å; D159-S162 PolarHBondContact O-OG 3.32Å; Y160-S162 VanDerWaalsContact C-N 3.32Å; Y160-S162 PolarHBondContact O-N 3.49Å; S162-K164 PolarHBondContact O-N 3.3Å
163	G	66.1	Low	63.7	Low	71 Å²	71	104.9 Å²	104.9	73%	0.732	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.8	10	176.2	0	0	0	0	0	114.8	D159 Y160 K161	D159-G163 PolarHBondContact O-N 3.05Å; Y160-G163 PolarHBondContact O-N 3.26Å; K161-G163 VanDerWaalsContact C-N 3.3Å; K161-G163 PolarHBondContact O-N 3.43Å
164	K	58.7	Low	61.1	Low	168 Å²	168	110.7 Å²	110.7	73%	0.73	64%	0.641	S	S	*	*			trans	-87.2	-7.2	178.5	-73.4	170.5	176.2	174.9	0	113.5	D159 S162 K166	D159-K164 PolarHBondContact O-N 2.73Å; S162-K164 PolarHBondContact O-N 3.3Å; K164-K166 PolarHBondContact O-N 3.14Å; K164-K166 VanDerWaalsContact O-N 3.08Å
165	G	49.5	Very low	58.3	Low	54 Å²	54	110.3 Å²	110.3	56%	0.557	66%	0.656	S	S	*	*			trans	-75.8	89.8	-179.9	0	0	0	0	0	113.8	D159	D159-G165 PolarHBondContact O-N 2.9Å
166	K	45.6	Very low	56.4	Low	201 Å²	201	108.8 Å²	108.8	87%	0.874	66%	0.66	S	S	*	*			trans	-70.8	138.2	159.2	-77.2	-174	178.7	-177.8	0	110.1	K164	K164-K166 PolarHBondContact O-N 3.14Å; K164-K166 VanDerWaalsContact O-N 3.08Å
167	V	51.5	Low	53.9	Low	138 Å²	138	115.2 Å²	115.2	84%	0.836	68%	0.684	S	S	*	*			trans	-32	138.3	174.1	-65.4	0	0	0	0	116.2
168	G	38.6	Very low	51.4	Low	72 Å²	72	119.5 Å²	119.5	74%	0.742	71%	0.713	S	S	*	*			trans	161.7	80.7	164.8	0	0	0	0	0	115.7
169	A	40.8	Very low	49.2	Very low	96 Å²	96	125.9 Å²	125.9	79%	0.793	74%	0.736	S	S	*	*			trans	-64.8	136.3	154.4	0	0	0	0	0	109.6	S171	A169-S171 PolarHBondContact O-N 3.2Å
170	P	37.8	Very low	46.6	Very low	125 Å²	125	128.6 Å²	128.6	81%	0.812	76%	0.756	S	S	*	*			trans	-82.7	98.2	151.2	30.3	-25.9	0	0	0	108.1	M172	P170-M172 PolarHBondContact O-N 3.07Å
171	S	38	Very low	44.6	Very low	112 Å²	112	134 Å²	134	78%	0.783	78%	0.781	S	S	*	*			trans	-67.3	106.5	154.3	-178.2	0	0	0	0	107.9	A169	A169-S171 PolarHBondContact O-N 3.2Å
172	M	31.3	Very low	42.2	Very low	175 Å²	175	130.9 Å²	130.9	86%	0.862	78%	0.781	S	S	*	*			trans	-94.6	98.6	160.9	-101.7	-89.6	-152.6	0	0	107.8	P170	P170-M172 PolarHBondContact O-N 3.07Å
173	V	33.3	Very low	40.3	Very low	121 Å²	121	135.2 Å²	135.2	73%	0.733	80%	0.799	S	S	*	*			trans	13.4	132.7	150.9	-65.1	0	0	0	0	121
174	M	34.8	Very low	38.6	Very low	179 Å²	179	137.9 Å²	137.9	88%	0.882	79%	0.794	S	S	*	*			trans	-63.5	150.3	171.7	-69.3	161.5	69.8	0	0	114.2
175	A	29	Very low	37.4	Very low	98 Å²	98	137.3 Å²	137.3	81%	0.81	80%	0.799	S	S	*	*			trans	-125	133.3	137.5	0	0	0	0	0	108.3
176	P	47.7	Very low	36.6	Very low	107 Å²	107	141.8 Å²	141.8	70%	0.695	81%	0.81	S	S	*	*			trans	-95.9	147.4	-162.6	36.3	-33.2	0	0	0	113.4
177	K	33.4	Very low	36.2	Very low	206 Å²	206	139.2 Å²	139.2	90%	0.896	81%	0.806	S	S	*	*			trans	-175.8	162.4	142.1	-102.9	175.9	-179.6	-178.9	0	111.6
178	P	33.2	Very low	35.5	Very low	117 Å²	117	138.1 Å²	138.1	76%	0.76	80%	0.795	S	S	*	*				-94.6	168.9	-119.3	37.7	-37.8	0	0	0	115.4
179	M	39.2	Very low	35.3	Very low	187 Å²	187	141.9 Å²	141.9	92%	0.921	80%	0.798	S	S	*	*			trans	-65.4	129.7	-172.1	-39.9	179	-166.2	0	0	112.7
180	T	28.5	Very low	35.3	Very low	141 Å²	141	144 Å²	144	87%	0.865	80%	0.796	S	S	*	*			trans	-134.9	129.6	147.6	55.6	0	0	0	0	109.5
181	K	41.5	Very low	35.3	Very low	205 Å²	205	144.9 Å²	144.9	89%	0.891	79%	0.794	S	S	*	*			trans	-88.3	119.7	-166.3	-171.7	176.9	-170.6	164	0	109.3
182	S	28.4	Very low	35.2	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	79%	0.789	S	S	*	*			trans	-155.5	121.3	159.2	55.3	0	0	0	0	110.3
183	N	39.8	Very low	35.4	Very low	159 Å²	159	145.8 Å²	145.8	85%	0.85	79%	0.788	S	S	*	*			trans	-50.4	137.3	176.4	-64.1	-24.6	0	0	0	111.5
184	M	30.2	Very low	35.7	Very low	127 Å²	127	148 Å²	148	63%	0.626	79%	0.79	S	S	*	*			trans	-125.1	102.7	167.3	-145.4	110.7	176.8	0	0	106.1	I120	I120-M184 HydrophobicContact CB-CE 3.81Å; I120-M184 HydrophobicContact CD1-CE 4.45Å; I120-M184 HydrophobicContact CD1-SD 4.31Å; I120-M184 HydrophobicContact CG2-CE 3.43Å; I120-M184 VanDerWaalsContact CG2-CE 3.43Å
185	D	32.7	Very low	35.8	Very low	156 Å²	156	146.1 Å²	146.1	83%	0.834	78%	0.784	S	S	*	*			trans	-70	123.7	166.1	-127.9	-116.4	0	0	0	106.1
186	D	34.4	Very low	36.4	Very low	147 Å²	147	149.9 Å²	149.9	79%	0.786	79%	0.785	S	S	*	*			trans	-99.8	91.6	-176.1	-160.5	-119.2	0	0	0	105.8
187	D	35.7	Very low	36	Very low	148 Å²	148	152.6 Å²	152.6	79%	0.791	79%	0.788	S	S	*	*			trans	-92.4	90.8	174.2	-148.8	-114.7	0	0	0	106
188	D	36.9	Very low	36.2	Very low	115 Å²	115	151.2 Å²	151.2	62%	0.615	79%	0.785	S	S	*	*			trans	-95.4	96.1	176.6	-151.1	-122.5	0	0	0	106	D190	D188-D190 PolarHBondContact O-N 3.29Å
189	D	35.9	Very low	36.6	Very low	151 Å²	151	152.7 Å²	152.7	81%	0.807	79%	0.786	S	S	*	*			trans	-73.1	103.6	172	-160	47.7	0	0	0	106.8	D191	D189-D191 PolarHBondContact O-N 2.84Å
190	D	39.4	Very low	36.9	Very low	140 Å²	140	152.3 Å²	152.3	75%	0.749	78%	0.782	S	S	*	*			trans	-89.1	93.4	-177.7	-156.4	28.1	0	0	0	106.7	D188 D192	D188-D190 PolarHBondContact O-N 3.29Å; D190-D192 PolarHBondContact O-N 3.49Å
191	D	37.2	Very low	37.7	Very low	143 Å²	143	153.4 Å²	153.4	77%	0.765	78%	0.778	S	S	*	*			trans	-77	108.8	172.1	-162.3	23.3	0	0	0	108	D189	D189-D191 PolarHBondContact O-N 2.84Å
192	D	37.7	Very low	38	Very low	127 Å²	127	152.5 Å²	152.5	68%	0.679	78%	0.777	S	S	*	*			trans	-95.4	87.5	-173.1	-163.1	28.1	0	0	0	108.2	D190	D190-D192 PolarHBondContact O-N 3.49Å
193	E	35.5	Very low	39.1	Very low	180 Å²	180	155.8 Å²	155.8	84%	0.841	78%	0.78	S	S	*	*			trans	-94.4	96.6	162.6	-81.7	-174	163.7	0	0	108.1	D195	E193-D195 PolarHBondContact O-N 3.1Å
194	E	38.4	Very low	39.8	Very low	167 Å²	167	157.1 Å²	157.1	78%	0.78	78%	0.781	S	S	*	*			trans	-72.5	114.8	163.4	-76.5	-173.1	156.5	0	0	108.5
195	D	37.4	Very low	40.9	Very low	140 Å²	140	158.1 Å²	158.1	75%	0.749	79%	0.789	S	S	*	*			trans	-86.2	110.7	170.6	-160.2	8.7	0	0	0	108.2	E193 E197	E193-D195 PolarHBondContact O-N 3.1Å; D195-E197 PolarHBondContact O-N 3.36Å
196	E	42.1	Very low	41.7	Very low	177 Å²	177	157.5 Å²	157.5	83%	0.827	79%	0.786	S	S	*	*			trans	-77.7	107.4	174	-71.7	179	161.4	0	0	108.9
197	E	39.1	Very low	42.7	Very low	163 Å²	163	163 Å²	163	76%	0.762	81%	0.807	S	S	*	*			trans	-96.6	108.1	165.7	-70	-78.9	-173.9	0	0	108.4	D195	D195-E197 PolarHBondContact O-N 3.36Å
198	E	37.8	Very low	43.1	Very low	178 Å²	178	163.7 Å²	163.7	83%	0.832	81%	0.807	S	S	*	*			trans	-65	121.8	167.4	-79.1	178.1	145.1	0	0	109.5
199	D	41.9	Very low	43.4	Very low	147 Å²	147	166.3 Å²	166.3	79%	0.786	82%	0.817	S	S	*	*			trans	-103.9	100.9	168.6	-136.9	-11.1	0	0	0	107.9
200	E	45.3	Very low	43.8	Very low	180 Å²	180	167.1 Å²	167.1	84%	0.841	82%	0.818	S	S	*	*			trans	-78.6	105.5	165.5	-74.2	-178.2	162.7	0	0	108.5
201	E	44.8	Very low	44.1	Very low	164 Å²	164	168.7 Å²	168.7	77%	0.766	82%	0.822	S	S	*	*			trans	-119.6	105.5	158.3	-69.8	-157.7	164.8	0	0	109.7
202	E	48	Very low	44.5	Very low	185 Å²	185	170.3 Å²	170.3	86%	0.864	83%	0.826	S	S	*	*			trans	-64.8	126.4	162.9	-64.6	-173.1	155	0	0	109.4
203	E	50.7	Low	45	Very low	178 Å²	178	173.2 Å²	173.2	83%	0.832	84%	0.835	S	S	*	*			trans	-128.2	112.3	157.3	-74.9	-70.3	174.2	0	0	107.8
204	E	55	Low	45.7	Very low	187 Å²	187	172.7 Å²	172.7	87%	0.874	84%	0.835	S	S	*	*			trans	-58.6	135.8	169.1	-73.5	-178.1	135.4	0	0	110.1
205	D	53.6	Low	46.2	Very low	148 Å²	148	173.2 Å²	173.2	79%	0.791	84%	0.839	S	S	*	*			trans	-143.1	142.7	155.5	-151.8	6.8	0	0	0	112.7
206	D	49.4	Very low	47	Very low	143 Å²	143	175.9 Å²	175.9	77%	0.765	85%	0.847	S	S	*	*			trans	75.9	105.3	164.9	-87.7	-45.2	0	0	0	121.6
207	E	55.8	Low	47.4	Very low	261 Å²	261	175.8 Å²	175.8	100%	1.22	85%	0.848	S	S	*	*				-136.4	0	109.3	-163.6	174.3	-179.9	0	0	112.1

Retrieved 207 of 207 residues in 139.4 ms (Link to these results)

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