A0A5K4F6Y9_SCHMA Loading...

DUF5063 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6Y9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 150 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	50.9	Low	64.3	Low	237 Å²	237	116.9 Å²	116.9	100%	1.167	62%	0.618	S	S	*	*				0	1.9	0	-80	163.3	123.6	0	0	114.8
2	G	57.2	Low	64.9	Low	60 Å²	60	118.4 Å²	118.4	62%	0.619	61%	0.609	S	S	*	*	H	α-helix	trans	-85.4	-12.1	-170.1	0	0	0	0	0	119.4
3	K	57.5	Low	64.9	Low	185 Å²	185	109.4 Å²	109.4	80%	0.804	56%	0.562	S	S	*	*	H	α-helix	trans	-77.7	-39.7	-177.5	-75.9	-172.9	177.8	-179.1	0	113.7	D5 S6 T7	K3-D5 VanDerWaalsContact C-N 3.32Å; K3-D5 PolarHBondContact O-N 3.07Å; K3-S6 PolarHBondContact O-N 3.16Å; K3-T7 PolarHBondContact O-N 3.46Å; K3-T7 PolarHBondContact O-OG1 3.47Å; K3-T7 VanDerWaalsContact O-OG1 3.07Å
4	K	58	Low	65.2	Low	186 Å²	186	103 Å²	103	81%	0.809	53%	0.53	S	S	*	.	H	α-helix	trans	-63.9	-38.2	-179.9	-82	-173.8	173.7	-177.7	0	112.2	T7 S8	K4-T7 PolarHBondContact O-N 3.44Å; K4-S8 PolarHBondContact O-N 2.91Å; K4-S8 VanDerWaalsContact O-N 3.08Å; K4-S8 PolarHBondContact O-OG 3.08Å
5	D	60.4	Low	65.6	Low	121 Å²	121	100.7 Å²	100.7	65%	0.647	52%	0.519	S	S	*	.	H	α-helix	trans	-72.2	-35.8	-177.7	-160.9	33.4	0	0	0	112.7	K3 S8 K9	K3-D5 VanDerWaalsContact C-N 3.32Å; K3-D5 PolarHBondContact O-N 3.07Å; D5-S8 WeakPolarHBondContact CA-OG 3.4Å; D5-S8 PolarHBondContact O-OG 3.41Å; D5-K9 WeakPolarHBondContact O-CB 3.4Å; D5-K9 PolarHBondContact O-N 3.21Å; D5-K9 VanDerWaalsContact O-N 3.16Å
6	S	62.7	Low	65.6	Low	81 Å²	81	97.5 Å²	97.5	57%	0.566	50%	0.501	S	S	*	.	H	α-helix	trans	-65.6	-41.2	172.3	179.1	0	0	0	0	112	K3 K9 K10	K3-S6 PolarHBondContact O-N 3.16Å; S6-K9 PolarHBondContact O-N 3.49Å; S6-K10 PolarHBondContact O-N 3.43Å
7	T	71.6	Confident	65.5	Low	96 Å²	96	91.9 Å²	91.9	59%	0.589	47%	0.472	S	S	*	.	H	α-helix	trans	-66.9	-42.7	178.3	-52.9	0	0	0	0	112.3	K3 K4 K9 K10 Q11	K3-T7 PolarHBondContact O-N 3.46Å; K3-T7 PolarHBondContact O-OG1 3.47Å; K3-T7 VanDerWaalsContact O-OG1 3.07Å; K4-T7 PolarHBondContact O-N 3.44Å; T7-K9 VanDerWaalsContact C-N 3.33Å; T7-K9 PolarHBondContact O-N 2.58Å; T7-K10 PolarHBondContact O-N 2.96Å; T7-Q11 WeakPolarHBondContact O-CB 3.47Å; T7-Q11 PolarHBondContact O-N 2.99Å
8	S	76.9	Confident	65.7	Low	66 Å²	66	91.6 Å²	91.6	46%	0.462	47%	0.466	S	S	.	.	H	α-helix	trans	-63.1	-39.7	176.8	48.3	0	0	0	0	112.2	K4 D5 Q11 R12	K4-S8 PolarHBondContact O-N 2.91Å; K4-S8 VanDerWaalsContact O-N 3.08Å; K4-S8 PolarHBondContact O-OG 3.08Å; D5-S8 WeakPolarHBondContact CA-OG 3.4Å; D5-S8 PolarHBondContact O-OG 3.41Å; S8-Q11 PolarHBondContact O-N 3.21Å; S8-R12 PolarHBondContact O-N 3.43Å
9	K	69.9	Low	65.7	Low	83 Å²	83	93.8 Å²	93.8	36%	0.361	48%	0.475	S	S	.	.	H	α-helix	trans	-66.6	-44.6	177.3	-168.9	170.1	-176	171.3	0	112.6	D5 S6 T7 Q11 R12 I13 S89	D5-K9 WeakPolarHBondContact O-CB 3.4Å; D5-K9 PolarHBondContact O-N 3.21Å; D5-K9 VanDerWaalsContact O-N 3.16Å; S6-K9 PolarHBondContact O-N 3.49Å; T7-K9 VanDerWaalsContact C-N 3.33Å; T7-K9 PolarHBondContact O-N 2.58Å; K9-Q11 VanDerWaalsContact C-N 3.3Å; K9-Q11 PolarHBondContact O-N 3.33Å; K9-R12 PolarHBondContact O-N 3.04Å; K9-I13 WeakPolarHBondContact O-CG1 3.29Å; K9-I13 PolarHBondContact O-N 3.38Å; K9-I13 VanDerWaalsContact O-N 3.17Å; K9-S89 WeakPolarHBondContact CE-O 2.91Å; K9-S89 PolarHBondContact NZ-O 3.15Å
10	K	69.8	Low	65.4	Low	82 Å²	82	89.6 Å²	89.6	36%	0.357	45%	0.454	S	S	.	.	H	α-helix	trans	-58.5	-43.8	174.4	-169.6	177.4	-170.6	175.7	0	111	S6 T7 I13 I14 V148 S150	S6-K10 PolarHBondContact O-N 3.43Å; T7-K10 PolarHBondContact O-N 2.96Å; K10-I13 PolarHBondContact O-N 3Å; K10-I14 HydrophobicContact CG-CD1 4.11Å; K10-I14 WeakPolarHBondContact O-CG1 3.47Å; K10-I14 PolarHBondContact O-N 3.28Å; K10-V148 WeakPolarHBondContact CE-O 3.35Å; K10-V148 PolarHBondContact NZ-O 3.26Å; K10-S150 PolarHBondContact NZ-OXT 2.78Å
11	Q	72.1	Confident	65.2	Low	89 Å²	89	89.2 Å²	89.2	42%	0.416	45%	0.449	S	S	.	.	H	α-helix	trans	-65.9	-38.6	179.2	-169.8	59.7	53.4	0	0	112.7	T7 S8 K9 I14 N15	T7-Q11 WeakPolarHBondContact O-CB 3.47Å; T7-Q11 PolarHBondContact O-N 2.99Å; S8-Q11 PolarHBondContact O-N 3.21Å; K9-Q11 VanDerWaalsContact C-N 3.3Å; K9-Q11 PolarHBondContact O-N 3.33Å; Q11-I14 PolarHBondContact O-N 3.41Å; Q11-N15 PolarHBondContact NE2-OD1 3.27Å; Q11-N15 VanDerWaalsContact O-CG 3.24Å; Q11-N15 PolarHBondContact O-N 3.01Å; Q11-N15 PolarHBondContact O-OD1 3.3Å
12	R	72	Confident	65.8	Low	135 Å²	135	82.6 Å²	82.6	51%	0.509	42%	0.418	S	S	.	.	H	α-helix	trans	-60.3	-47.6	176	-166.7	-177.5	74.1	-163.7	-0.8	111.4	S8 K9 I14 N15 E16	S8-R12 PolarHBondContact O-N 3.43Å; K9-R12 PolarHBondContact O-N 3.04Å; R12-I14 VanDerWaalsContact C-N 3.34Å; R12-I14 PolarHBondContact O-N 3.42Å; R12-N15 PolarHBondContact O-N 3.43Å; R12-N15 VanDerWaalsContact O-N 3.15Å; R12-E16 WeakPolarHBondContact CG-OE1 3.33Å; R12-E16 IonicContact NE-OE1 2.59Å; R12-E16 PolarHBondContact NE-OE1 2.87Å; R12-E16 WeakPolarHBondContact O-CG 3.48Å; R12-E16 PolarHBondContact O-N 3.02Å
13	I	65.2	Low	65.9	Low	1 Å²	1	81.6 Å²	81.6	1%	0.005	40%	0.402	C	S	.	.	H	α-helix	trans	-61	-43.5	177.1	-64.7	167	0	0	0	111.1	K9 K10 N15 E16 I17 I86 L90 V148	K9-I13 WeakPolarHBondContact O-CG1 3.29Å; K9-I13 PolarHBondContact O-N 3.38Å; K9-I13 VanDerWaalsContact O-N 3.17Å; K10-I13 PolarHBondContact O-N 3Å; I13-N15 VanDerWaalsContact C-N 3.27Å; I13-N15 PolarHBondContact O-N 3.19Å; I13-E16 PolarHBondContact O-N 3.48Å; I13-I17 HydrophobicContact CG2-CD1 3.77Å; I13-I17 HydrophobicContact CG2-CG1 4.34Å; I13-I17 VanDerWaalsContact O-CG1 3.3Å; I13-I17 WeakPolarHBondContact O-CG1 3.47Å; I13-I17 PolarHBondContact O-N 3.49Å; I13-I86 HydrophobicContact CG2-CD1 3.85Å; I13-I86 HydrophobicContact CG2-CG1 3.69Å; I13-L90 HydrophobicContact CD1-CD2 4.13Å; I13-L90 HydrophobicContact CD1-CG 4.21Å; I13-V148 HydrophobicContact CB-CG1 4.44Å; I13-V148 HydrophobicContact CG2-CG1 3.81Å; I13-V148 HydrophobicContact CG2-CG2 4.38Å
14	I	68.4	Low	65.9	Low	20 Å²	20	73.1 Å²	73.1	10%	0.103	37%	0.366	C	S	.	.	H	α-helix	trans	-60.2	-39.4	177.2	-72.8	168.4	0	0	0	111.3	K10 Q11 R12 K18 Y145 V148	K10-I14 HydrophobicContact CG-CD1 4.11Å; K10-I14 WeakPolarHBondContact O-CG1 3.47Å; K10-I14 PolarHBondContact O-N 3.28Å; Q11-I14 PolarHBondContact O-N 3.41Å; R12-I14 VanDerWaalsContact C-N 3.34Å; R12-I14 PolarHBondContact O-N 3.42Å; I14-K18 HydrophobicContact CG2-CD 4.29Å; I14-K18 VanDerWaalsContact O-CG 3.31Å; I14-K18 WeakPolarHBondContact O-CG 3.07Å; I14-K18 PolarHBondContact O-N 3.17Å; I14-K18 VanDerWaalsContact O-N 3.07Å; I14-Y145 HydrophobicContact CG2-CE2 4.18Å; I14-V148 HydrophobicContact CG1-CG1 4.24Å
15	N	71.4	Confident	65.8	Low	69 Å²	69	69 Å²	69	37%	0.369	35%	0.35	S	S	.	.	H	α-helix	trans	-68.4	-45.1	177.9	-67.5	-6.2	0	0	0	111.3	Q11 R12 I13 I17 K18 E19	Q11-N15 PolarHBondContact NE2-OD1 3.27Å; Q11-N15 VanDerWaalsContact O-CG 3.24Å; Q11-N15 PolarHBondContact O-N 3.01Å; Q11-N15 PolarHBondContact O-OD1 3.3Å; R12-N15 PolarHBondContact O-N 3.43Å; R12-N15 VanDerWaalsContact O-N 3.15Å; I13-N15 VanDerWaalsContact C-N 3.27Å; I13-N15 PolarHBondContact O-N 3.19Å; N15-I17 VanDerWaalsContact C-N 3.34Å; N15-I17 PolarHBondContact O-N 2.74Å; N15-K18 WeakPolarHBondContact O-CB 3.4Å; N15-K18 PolarHBondContact O-N 2.91Å; N15-K18 VanDerWaalsContact O-N 3.09Å; N15-E19 WeakPolarHBondContact O-CG 3.45Å; N15-E19 PolarHBondContact O-N 2.84Å
16	E	66.2	Low	65.7	Low	49 Å²	49	66.3 Å²	66.3	23%	0.229	34%	0.34	C	S	.	.	H	α-helix	trans	-57.6	-45.7	175.5	-71.4	169.3	-157	0	0	111.2	R12 I13 K18 E19 V20	R12-E16 WeakPolarHBondContact CG-OE1 3.33Å; R12-E16 IonicContact NE-OE1 2.59Å; R12-E16 PolarHBondContact NE-OE1 2.87Å; R12-E16 WeakPolarHBondContact O-CG 3.48Å; R12-E16 PolarHBondContact O-N 3.02Å; I13-E16 PolarHBondContact O-N 3.48Å; E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 2.83Å; E16-E19 PolarHBondContact O-N 3.34Å; E16-V20 WeakPolarHBondContact O-CG2 3.41Å; E16-V20 PolarHBondContact O-N 3.43Å
17	I	64.1	Low	65.2	Low	2 Å²	2	65.6 Å²	65.6	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-38	176.7	-65.9	167.8	0	0	0	111.7	I13 N15 K21 I86 L144 Y145 V148	I13-I17 HydrophobicContact CG2-CD1 3.77Å; I13-I17 HydrophobicContact CG2-CG1 4.34Å; I13-I17 VanDerWaalsContact O-CG1 3.3Å; I13-I17 WeakPolarHBondContact O-CG1 3.47Å; I13-I17 PolarHBondContact O-N 3.49Å; N15-I17 VanDerWaalsContact C-N 3.34Å; N15-I17 PolarHBondContact O-N 2.74Å; I17-K21 VanDerWaalsContact O-CB 3.32Å; I17-K21 WeakPolarHBondContact O-CB 3.21Å; I17-K21 PolarHBondContact O-N 3.41Å; I17-I86 HydrophobicContact CD1-CD1 3.96Å; I17-I86 HydrophobicContact CG1-CD1 4.04Å; I17-L144 HydrophobicContact CD1-CD2 4.41Å; I17-Y145 HydrophobicContact CG2-CD2 3.83Å; I17-Y145 HydrophobicContact CG2-CG 4.36Å; I17-V148 HydrophobicContact CD1-CB 4.28Å; I17-V148 HydrophobicContact CD1-CG2 4.12Å
18	K	67.9	Low	64.3	Low	86 Å²	86	63 Å²	63	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-68.1	-44.8	177.5	-78.4	176	179.3	-178.4	0	111.9	I14 N15 E16 V20 K21 D22 Y145	I14-K18 HydrophobicContact CG2-CD 4.29Å; I14-K18 VanDerWaalsContact O-CG 3.31Å; I14-K18 WeakPolarHBondContact O-CG 3.07Å; I14-K18 PolarHBondContact O-N 3.17Å; I14-K18 VanDerWaalsContact O-N 3.07Å; N15-K18 WeakPolarHBondContact O-CB 3.4Å; N15-K18 PolarHBondContact O-N 2.91Å; N15-K18 VanDerWaalsContact O-N 3.09Å; E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 2.83Å; K18-V20 VanDerWaalsContact C-N 3.33Å; K18-V20 PolarHBondContact O-N 3.14Å; K18-K21 WeakPolarHBondContact O-CB 3.31Å; K18-K21 PolarHBondContact O-N 3.37Å; K18-K21 VanDerWaalsContact O-N 3.15Å; K18-D22 WeakPolarHBondContact O-CB 2.77Å; K18-D22 VanDerWaalsContact O-CG 3.32Å; K18-D22 PolarHBondContact O-N 2.93Å; K18-Y145 HydrophobicContact CG-CE2 4.24Å
19	E	66.5	Low	63.1	Low	134 Å²	134	65 Å²	65	63%	0.626	31%	0.313	S	S	*	.	H	α-helix	trans	-60	-44.9	178.4	-74.1	172.7	-172.2	0	0	111.2	N15 E16 K21 D22 S23	N15-E19 WeakPolarHBondContact O-CG 3.45Å; N15-E19 PolarHBondContact O-N 2.84Å; E16-E19 PolarHBondContact O-N 3.34Å; E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.31Å; E19-D22 PolarHBondContact O-N 2.89Å; E19-S23 WeakPolarHBondContact O-CB 3.35Å; E19-S23 PolarHBondContact O-N 3.09Å
20	V	60	Low	62.1	Low	9 Å²	9	65 Å²	65	6%	0.055	32%	0.317	C	S	.	.	H	α-helix	trans	-62.6	-42.3	175.6	177.1	0	0	0	0	110.6	E16 K18 L24 L79 V82 L141	E16-V20 WeakPolarHBondContact O-CG2 3.41Å; E16-V20 PolarHBondContact O-N 3.43Å; K18-V20 VanDerWaalsContact C-N 3.33Å; K18-V20 PolarHBondContact O-N 3.14Å; V20-L24 HydrophobicContact CG1-CD1 4.08Å; V20-L24 WeakPolarHBondContact O-CB 3.21Å; V20-L24 WeakPolarHBondContact O-CD1 3.45Å; V20-L24 VanDerWaalsContact O-CG 3.3Å; V20-L24 WeakPolarHBondContact O-CG 3.3Å; V20-L24 PolarHBondContact O-N 2.93Å; V20-L79 HydrophobicContact CG1-CD2 4.11Å; V20-V82 HydrophobicContact CG2-CG2 3.71Å; V20-L141 HydrophobicContact CG1-CD1 3.7Å; V20-L141 HydrophobicContact CG1-CD2 4.3Å
21	K	61.3	Low	61.2	Low	83 Å²	83	61.6 Å²	61.6	36%	0.361	30%	0.302	S	S	.	.	H	α-helix	trans	-62.7	-43.6	176.4	-178.3	-168.2	170.9	-165.4	0	112.4	I17 K18 E19 L24 Q25	I17-K21 VanDerWaalsContact O-CB 3.32Å; I17-K21 WeakPolarHBondContact O-CB 3.21Å; I17-K21 PolarHBondContact O-N 3.41Å; K18-K21 WeakPolarHBondContact O-CB 3.31Å; K18-K21 PolarHBondContact O-N 3.37Å; K18-K21 VanDerWaalsContact O-N 3.15Å; E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.31Å; K21-L24 WeakPolarHBondContact O-CB 3.31Å; K21-L24 PolarHBondContact O-N 3.07Å; K21-Q25 PolarHBondContact O-N 3.41Å
22	D	63	Low	60.1	Low	97 Å²	97	65.1 Å²	65.1	52%	0.519	31%	0.312	S	S	.	.	H	α-helix	trans	-69.8	-40.4	-178.8	-70	-14.4	0	0	0	110.6	K18 E19 L24 Q25 S26	K18-D22 WeakPolarHBondContact O-CB 2.77Å; K18-D22 VanDerWaalsContact O-CG 3.32Å; K18-D22 PolarHBondContact O-N 2.93Å; E19-D22 PolarHBondContact O-N 2.89Å; D22-L24 PolarHBondContact O-N 2.76Å; D22-Q25 PolarHBondContact O-N 2.88Å; D22-S26 PolarHBondContact O-N 2.97Å
23	S	58.8	Low	59.1	Low	40 Å²	40	62.6 Å²	62.6	28%	0.28	32%	0.315	S	S	.	.	H	α-helix	trans	-55.1	-51.6	170.5	-179.6	0	0	0	0	110.5	E19 Q25 S26 H27	E19-S23 WeakPolarHBondContact O-CB 3.35Å; E19-S23 PolarHBondContact O-N 3.09Å; S23-Q25 VanDerWaalsContact C-N 3.31Å; S23-Q25 PolarHBondContact O-N 3.44Å; S23-S26 WeakPolarHBondContact O-CB 3.22Å; S23-S26 PolarHBondContact O-N 3.23Å; S23-H27 PolarHBondContact O-N 3.35Å; S23-H27 PolarHBondContact O-ND1 2.95Å; S23-H27 PolarHBondContact OG-CE1 3.29Å; S23-H27 PolarHBondContact OG-ND1 3.06Å
24	L	56.8	Low	58.2	Low	7 Å²	7	66.6 Å²	66.6	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-56.6	-42.8	176.6	-83.9	164	0	0	0	113.6	V20 K21 D22 H27 T28 L75 D134 T137 L141	V20-L24 HydrophobicContact CG1-CD1 4.08Å; V20-L24 WeakPolarHBondContact O-CB 3.21Å; V20-L24 WeakPolarHBondContact O-CD1 3.45Å; V20-L24 VanDerWaalsContact O-CG 3.3Å; V20-L24 WeakPolarHBondContact O-CG 3.3Å; V20-L24 PolarHBondContact O-N 2.93Å; K21-L24 WeakPolarHBondContact O-CB 3.31Å; K21-L24 PolarHBondContact O-N 3.07Å; D22-L24 PolarHBondContact O-N 2.76Å; L24-H27 PolarHBondContact O-N 2.9Å; L24-T28 WeakPolarHBondContact O-CB 3.43Å; L24-T28 PolarHBondContact O-N 2.89Å; L24-T28 PolarHBondContact O-OG1 2.82Å; L24-L75 HydrophobicContact CD1-CD1 4.46Å; L24-L75 HydrophobicContact CD2-CD1 3.32Å; L24-L75 HydrophobicContact CD2-CD2 3.5Å; L24-L75 HydrophobicContact CD2-CG 3.98Å; L24-L75 HydrophobicContact CG-CD1 3.92Å; L24-D134 WeakPolarHBondContact CD2-OD1 3.39Å; L24-T137 HydrophobicContact CD1-CG2 3.46Å; L24-T137 VanDerWaalsContact CD1-CG2 3.46Å; L24-T137 HydrophobicContact CD2-CG2 3.76Å; L24-T137 HydrophobicContact CG-CG2 4.26Å; L24-L141 HydrophobicContact CD1-CD1 3.05Å; L24-L141 HydrophobicContact CD1-CG 4.43Å
25	Q	57.4	Low	57.3	Low	100 Å²	100	67 Å²	67	47%	0.467	34%	0.335	S	S	.	.	H	α-helix	trans	-64.5	-41.7	179	-174.6	173.9	-26	0	0	111.7	K21 D22 S23 H27 T28 E29	K21-Q25 PolarHBondContact O-N 3.41Å; D22-Q25 PolarHBondContact O-N 2.88Å; S23-Q25 VanDerWaalsContact C-N 3.31Å; S23-Q25 PolarHBondContact O-N 3.44Å; Q25-H27 VanDerWaalsContact C-N 3.34Å; Q25-H27 PolarHBondContact O-N 3.22Å; Q25-T28 WeakPolarHBondContact O-CB 3.42Å; Q25-T28 PolarHBondContact O-N 3.32Å; Q25-E29 PolarHBondContact O-N 3.47Å; Q25-E29 VanDerWaalsContact O-N 3.15Å
26	S	57.6	Low	56.5	Low	63 Å²	63	68.5 Å²	68.5	44%	0.441	34%	0.34	S	S	.	.	H	α-helix	trans	-60.4	-45.3	175.1	-176.4	0	0	0	0	111.4	D22 S23 T28 E29 I30	D22-S26 PolarHBondContact O-N 2.97Å; S23-S26 WeakPolarHBondContact O-CB 3.22Å; S23-S26 PolarHBondContact O-N 3.23Å; S26-T28 VanDerWaalsContact C-N 3.35Å; S26-T28 PolarHBondContact O-N 3.4Å; S26-E29 PolarHBondContact O-N 2.59Å; S26-I30 WeakPolarHBondContact O-CG1 3.41Å; S26-I30 PolarHBondContact O-N 2.49Å
27	H	52.9	Low	55.8	Low	67 Å²	67	73.9 Å²	73.9	31%	0.31	36%	0.358	S	S	.	.	H	α-helix	trans	-64.2	-39.2	176.7	-70.3	94.2	0	0	0	112.4	S23 L24 Q25 E29 I30 I31 Y71	S23-H27 PolarHBondContact O-N 3.35Å; S23-H27 PolarHBondContact O-ND1 2.95Å; S23-H27 PolarHBondContact OG-CE1 3.29Å; S23-H27 PolarHBondContact OG-ND1 3.06Å; L24-H27 PolarHBondContact O-N 2.9Å; Q25-H27 VanDerWaalsContact C-N 3.34Å; Q25-H27 PolarHBondContact O-N 3.22Å; H27-E29 VanDerWaalsContact C-N 3.28Å; H27-E29 PolarHBondContact O-N 2.87Å; H27-I30 PolarHBondContact O-N 2.88Å; H27-I31 WeakPolarHBondContact O-CB 3.23Å; H27-I31 WeakPolarHBondContact O-CD1 3.42Å; H27-I31 WeakPolarHBondContact O-CG1 3.49Å; H27-I31 PolarHBondContact O-N 3.37Å; H27-Y71 WeakPolarHBondContact CB-OH 3.49Å; H27-Y71 AromaticContact CD2-CE2 3.67Å; H27-Y71 AromaticContact CD2-CZ 3.74Å; H27-Y71 PolarHBondContact CD2-OH 3.42Å; H27-Y71 AromaticContact CG-CZ 3.99Å
28	T	52.4	Low	55.2	Low	40 Å²	40	75.8 Å²	75.8	25%	0.245	37%	0.368	C	S	.	.	H	α-helix	trans	-56.4	-41.1	174	-65	0	0	0	0	112.1	L24 Q25 S26 I31 R32 D134	L24-T28 WeakPolarHBondContact O-CB 3.43Å; L24-T28 PolarHBondContact O-N 2.89Å; L24-T28 PolarHBondContact O-OG1 2.82Å; Q25-T28 WeakPolarHBondContact O-CB 3.42Å; Q25-T28 PolarHBondContact O-N 3.32Å; S26-T28 VanDerWaalsContact C-N 3.35Å; S26-T28 PolarHBondContact O-N 3.4Å; T28-I31 PolarHBondContact O-N 2.97Å; T28-R32 WeakPolarHBondContact O-CB 3.19Å; T28-R32 PolarHBondContact O-N 3.02Å; T28-D134 WeakPolarHBondContact CA-OD2 3.48Å; T28-D134 PolarHBondContact N-OD2 3.16Å; T28-D134 WeakPolarHBondContact OG1-CB 3.17Å; T28-D134 PolarHBondContact OG1-OD2 2.86Å
29	E	51	Low	54.7	Low	109 Å²	109	77.4 Å²	77.4	51%	0.509	38%	0.375	S	S	.	.	H	α-helix	trans	-68	-43.4	179.2	-71.7	179.2	179.1	0	0	112.3	Q25 S26 H27 I31 R32 S33	Q25-E29 PolarHBondContact O-N 3.47Å; Q25-E29 VanDerWaalsContact O-N 3.15Å; S26-E29 PolarHBondContact O-N 2.59Å; H27-E29 VanDerWaalsContact C-N 3.28Å; H27-E29 PolarHBondContact O-N 2.87Å; E29-I31 VanDerWaalsContact C-N 3.31Å; E29-I31 PolarHBondContact O-N 2.66Å; E29-R32 PolarHBondContact O-N 3.34Å; E29-S33 PolarHBondContact O-N 3.45Å; E29-S33 VanDerWaalsContact O-N 3.12Å
30	I	49.5	Very low	54.3	Low	83 Å²	83	74.9 Å²	74.9	43%	0.426	36%	0.363	S	S	.	.	H	α-helix	trans	-58.4	-46.4	174.6	-68.8	166	0	0	0	110	S26 H27 R32 S33 Y34	S26-I30 WeakPolarHBondContact O-CG1 3.41Å; S26-I30 PolarHBondContact O-N 2.49Å; H27-I30 PolarHBondContact O-N 2.88Å; I30-R32 PolarHBondContact O-N 3.31Å; I30-S33 WeakPolarHBondContact O-CB 3.3Å; I30-S33 PolarHBondContact O-N 3.45Å; I30-Y34 HydrophobicContact CG2-CD2 3.76Å; I30-Y34 HydrophobicContact CG2-CE2 3.47Å; I30-Y34 VanDerWaalsContact CG2-CE2 3.47Å; I30-Y34 VanDerWaalsContact O-CD2 3.25Å; I30-Y34 WeakPolarHBondContact O-CD2 3.03Å; I30-Y34 PolarHBondContact O-N 2.89Å; I30-Y34 VanDerWaalsContact O-N 3.13Å
31	I	50.1	Low	53.9	Low	10 Å²	10	78.6 Å²	78.6	5%	0.051	38%	0.381	C	S	.	.	H	α-helix	trans	-63.3	-41.1	179.7	-68.8	163	0	0	0	111.8	H27 T28 E29 S33 Y34 S35 Y71 F131 N132	H27-I31 WeakPolarHBondContact O-CB 3.23Å; H27-I31 WeakPolarHBondContact O-CD1 3.42Å; H27-I31 WeakPolarHBondContact O-CG1 3.49Å; H27-I31 PolarHBondContact O-N 3.37Å; T28-I31 PolarHBondContact O-N 2.97Å; E29-I31 VanDerWaalsContact C-N 3.31Å; E29-I31 PolarHBondContact O-N 2.66Å; I31-S33 VanDerWaalsContact C-N 3.28Å; I31-S33 PolarHBondContact O-N 3.36Å; I31-Y34 PolarHBondContact O-N 3.26Å; I31-S35 PolarHBondContact O-N 3.15Å; I31-Y71 HydrophobicContact CD1-CD1 4.44Å; I31-Y71 HydrophobicContact CD1-CE1 3.91Å; I31-F131 HydrophobicContact CG2-CD2 3.86Å; I31-F131 HydrophobicContact CG2-CE2 3.94Å; I31-N132 HydrophobicContact CG2-CB 3.35Å; I31-N132 WeakPolarHBondContact CG2-ND2 3.43Å
32	R	50.5	Low	53.5	Low	164 Å²	164	76.6 Å²	76.6	62%	0.619	38%	0.376	S	S	*	.	H	α-helix	trans	-59.8	-41.1	176.1	-172.5	-178.6	-70.1	127.6	-0.7	111.2	T28 E29 I30 S35 Q36	T28-R32 WeakPolarHBondContact O-CB 3.19Å; T28-R32 PolarHBondContact O-N 3.02Å; E29-R32 PolarHBondContact O-N 3.34Å; I30-R32 PolarHBondContact O-N 3.31Å; R32-S35 WeakPolarHBondContact O-CB 3.43Å; R32-S35 PolarHBondContact O-N 2.82Å; R32-Q36 PolarHBondContact O-N 3.17Å
33	S	49.3	Very low	53.4	Low	82 Å²	82	77.1 Å²	77.1	57%	0.573	38%	0.376	S	S	*	.	H	α-helix	trans	-62.2	-46.3	177.2	-172.8	0	0	0	0	112.4	E29 I30 I31 S35 Q36 R37	E29-S33 PolarHBondContact O-N 3.45Å; E29-S33 VanDerWaalsContact O-N 3.12Å; I30-S33 WeakPolarHBondContact O-CB 3.3Å; I30-S33 PolarHBondContact O-N 3.45Å; I31-S33 VanDerWaalsContact C-N 3.28Å; I31-S33 PolarHBondContact O-N 3.36Å; S33-S35 PolarHBondContact O-N 2.7Å; S33-Q36 WeakPolarHBondContact O-CB 3.5Å; S33-Q36 PolarHBondContact O-N 3.43Å; S33-R37 PolarHBondContact O-N 3.41Å
34	Y	47.3	Very low	53.4	Low	84 Å²	84	81.2 Å²	81.2	33%	0.329	39%	0.389	S	S	.	.	H	α-helix	trans	-65.6	-38.8	177.5	-75.3	-63.1	0	0	0	113.2	I30 I31 Q36 R37 I38 N129	I30-Y34 HydrophobicContact CG2-CD2 3.76Å; I30-Y34 HydrophobicContact CG2-CE2 3.47Å; I30-Y34 VanDerWaalsContact CG2-CE2 3.47Å; I30-Y34 VanDerWaalsContact O-CD2 3.25Å; I30-Y34 WeakPolarHBondContact O-CD2 3.03Å; I30-Y34 PolarHBondContact O-N 2.89Å; I30-Y34 VanDerWaalsContact O-N 3.13Å; I31-Y34 PolarHBondContact O-N 3.26Å; Y34-Q36 VanDerWaalsContact C-N 3.28Å; Y34-Q36 PolarHBondContact O-N 3.34Å; Y34-R37 PolarHBondContact O-N 3.21Å; Y34-R37 VanDerWaalsContact O-N 3.14Å; Y34-I38 WeakPolarHBondContact O-CG1 3.32Å; Y34-I38 PolarHBondContact O-N 3.35Å; Y34-N129 HydrophobicContact CE1-CB 4.34Å
35	S	50.3	Low	53.2	Low	29 Å²	29	83.3 Å²	83.3	20%	0.203	40%	0.4	C	S	.	.	H	α-helix	trans	-54.8	-45.7	174.1	-158.9	0	0	0	0	112.4	I31 R32 S33 R37 I38 K39 F131	I31-S35 PolarHBondContact O-N 3.15Å; R32-S35 WeakPolarHBondContact O-CB 3.43Å; R32-S35 PolarHBondContact O-N 2.82Å; S33-S35 PolarHBondContact O-N 2.7Å; S35-R37 VanDerWaalsContact C-N 3.31Å; S35-R37 PolarHBondContact O-N 3.04Å; S35-I38 PolarHBondContact O-N 2.94Å; S35-K39 PolarHBondContact O-N 3.07Å; S35-K39 VanDerWaalsContact O-N 3.11Å; S35-F131 WeakPolarHBondContact OG-CE2 3.41Å
36	Q	53.4	Low	53.3	Low	101 Å²	101	85 Å²	85	47%	0.472	41%	0.405	S	S	.	.	H	α-helix	trans	-62.2	-43.3	179.6	-175.1	58.8	24.8	0	0	110.5	R32 S33 Y34 I38 K39 E40	R32-Q36 PolarHBondContact O-N 3.17Å; S33-Q36 WeakPolarHBondContact O-CB 3.5Å; S33-Q36 PolarHBondContact O-N 3.43Å; Y34-Q36 VanDerWaalsContact C-N 3.28Å; Y34-Q36 PolarHBondContact O-N 3.34Å; Q36-I38 PolarHBondContact O-N 3.42Å; Q36-K39 WeakPolarHBondContact O-CB 3.33Å; Q36-K39 PolarHBondContact O-N 2.96Å; Q36-E40 WeakPolarHBondContact O-CG 3.31Å; Q36-E40 PolarHBondContact O-N 2.79Å
37	R	51.7	Low	53.7	Low	161 Å²	161	90.1 Å²	90.1	61%	0.608	42%	0.42	S	S	*	.	H	α-helix	trans	-65.8	-36.6	178.5	-166.5	165	171.4	167.5	-4.1	113.4	S33 Y34 S35 E40 I41	S33-R37 PolarHBondContact O-N 3.41Å; Y34-R37 PolarHBondContact O-N 3.21Å; Y34-R37 VanDerWaalsContact O-N 3.14Å; S35-R37 VanDerWaalsContact C-N 3.31Å; S35-R37 PolarHBondContact O-N 3.04Å; R37-E40 WeakPolarHBondContact O-CB 3.48Å; R37-E40 PolarHBondContact O-N 3.02Å; R37-I41 HydrophobicContact CG-CD1 4.34Å; R37-I41 VanDerWaalsContact O-CG1 3.3Å; R37-I41 WeakPolarHBondContact O-CG1 3.36Å; R37-I41 PolarHBondContact O-N 2.88Å
38	I	51.5	Low	54	Low	42 Å²	42	92.2 Å²	92.2	22%	0.215	43%	0.433	C	S	.	.	H	α-helix	trans	-65.4	-42	174.4	-68.7	168.9	0	0	0	110.9	Y34 S35 Q36 E40 I41 T42 V60	Y34-I38 WeakPolarHBondContact O-CG1 3.32Å; Y34-I38 PolarHBondContact O-N 3.35Å; S35-I38 PolarHBondContact O-N 2.94Å; Q36-I38 PolarHBondContact O-N 3.42Å; I38-E40 VanDerWaalsContact C-N 3.32Å; I38-E40 PolarHBondContact O-N 2.94Å; I38-I41 PolarHBondContact O-N 2.87Å; I38-T42 WeakPolarHBondContact O-CB 3.41Å; I38-T42 PolarHBondContact O-N 3.1Å; I38-T42 PolarHBondContact O-OG1 3.48Å; I38-V60 HydrophobicContact CG2-CG1 4.44Å
39	K	56.8	Low	54	Low	120 Å²	120	93.5 Å²	93.5	52%	0.522	46%	0.455	S	S	.	.	H	α-helix	trans	-58.6	-46.4	174.1	-72.2	179.3	-178.5	178.1	0	110.7	S35 Q36 I41 T42 E43	S35-K39 PolarHBondContact O-N 3.07Å; S35-K39 VanDerWaalsContact O-N 3.11Å; Q36-K39 WeakPolarHBondContact O-CB 3.33Å; Q36-K39 PolarHBondContact O-N 2.96Å; K39-I41 PolarHBondContact O-N 2.74Å; K39-T42 PolarHBondContact O-N 3.14Å; K39-E43 WeakPolarHBondContact O-CB 3.14Å; K39-E43 WeakPolarHBondContact O-CG 3.16Å; K39-E43 PolarHBondContact O-N 3.32Å
40	E	57.9	Low	53.9	Low	81 Å²	81	97.6 Å²	97.6	38%	0.379	47%	0.465	S	S	.	.	H	α-helix	trans	-60.4	-42.7	177.6	-71.4	170.5	-166.4	0	0	112.9	Q36 R37 I38 E43 K44	Q36-E40 WeakPolarHBondContact O-CG 3.31Å; Q36-E40 PolarHBondContact O-N 2.79Å; R37-E40 WeakPolarHBondContact O-CB 3.48Å; R37-E40 PolarHBondContact O-N 3.02Å; I38-E40 VanDerWaalsContact C-N 3.32Å; I38-E40 PolarHBondContact O-N 2.94Å; E40-E43 PolarHBondContact O-N 3.38Å; E40-K44 WeakPolarHBondContact O-CB 3.49Å; E40-K44 VanDerWaalsContact O-CG 3.27Å; E40-K44 WeakPolarHBondContact O-CG 3.29Å; E40-K44 PolarHBondContact O-N 3.31Å
41	I	52.6	Low	53.7	Low	87 Å²	87	97.2 Å²	97.2	45%	0.446	48%	0.482	S	S	.	.	H	α-helix	trans	-64.1	-45.4	176.2	-68.8	164.1	0	0	0	110.4	R37 I38 K39 E43 K44 D45	R37-I41 HydrophobicContact CG-CD1 4.34Å; R37-I41 VanDerWaalsContact O-CG1 3.3Å; R37-I41 WeakPolarHBondContact O-CG1 3.36Å; R37-I41 PolarHBondContact O-N 2.88Å; I38-I41 PolarHBondContact O-N 2.87Å; K39-I41 PolarHBondContact O-N 2.74Å; I41-E43 VanDerWaalsContact C-N 3.32Å; I41-E43 PolarHBondContact O-N 3.17Å; I41-K44 WeakPolarHBondContact O-CB 3.43Å; I41-K44 PolarHBondContact O-N 2.78Å; I41-D45 PolarHBondContact O-N 3.17Å
42	T	53.2	Low	53.7	Low	41 Å²	41	101.1 Å²	101.1	25%	0.252	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-40.9	178.8	-54.8	0	0	0	0	111.5	I38 K39 D45 K46	I38-T42 WeakPolarHBondContact O-CB 3.41Å; I38-T42 PolarHBondContact O-N 3.1Å; I38-T42 PolarHBondContact O-OG1 3.48Å; K39-T42 PolarHBondContact O-N 3.14Å; T42-D45 PolarHBondContact O-N 3.01Å; T42-K46 WeakPolarHBondContact O-CG 3.28Å; T42-K46 PolarHBondContact O-N 3.23Å
43	E	60.4	Low	53.4	Low	109 Å²	109	96.7 Å²	96.7	51%	0.509	49%	0.491	S	S	.	.	H	α-helix	trans	-67.1	-39	175.3	-74.9	178.4	-173.9	0	0	112.2	K39 E40 I41 K46 K47	K39-E43 WeakPolarHBondContact O-CB 3.14Å; K39-E43 WeakPolarHBondContact O-CG 3.16Å; K39-E43 PolarHBondContact O-N 3.32Å; E40-E43 PolarHBondContact O-N 3.38Å; I41-E43 VanDerWaalsContact C-N 3.32Å; I41-E43 PolarHBondContact O-N 3.17Å; E43-K46 PolarHBondContact O-N 2.97Å; E43-K47 WeakPolarHBondContact O-CG 3.39Å; E43-K47 PolarHBondContact O-N 3.23Å
44	K	59.1	Low	53	Low	126 Å²	126	100.5 Å²	100.5	55%	0.548	50%	0.5	S	S	.	.	H	α-helix	trans	-63.4	-43.9	173.6	-77.1	174.3	-178.9	176.5	0	111.8	E40 I41 K46 K47 N48	E40-K44 WeakPolarHBondContact O-CB 3.49Å; E40-K44 VanDerWaalsContact O-CG 3.27Å; E40-K44 WeakPolarHBondContact O-CG 3.29Å; E40-K44 PolarHBondContact O-N 3.31Å; I41-K44 WeakPolarHBondContact O-CB 3.43Å; I41-K44 PolarHBondContact O-N 2.78Å; K44-K46 PolarHBondContact O-N 2.86Å; K44-K47 PolarHBondContact O-N 3.11Å; K44-N48 WeakPolarHBondContact O-CB 3.13Å; K44-N48 VanDerWaalsContact O-CG 3.28Å; K44-N48 PolarHBondContact O-N 3.44Å; K44-N48 PolarHBondContact O-ND2 3.04Å
45	D	52.9	Low	52.7	Low	51 Å²	51	104.8 Å²	104.8	27%	0.273	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-39.7	177.5	-85.9	1.3	0	0	0	112	I41 T42 K47 N48 N56	I41-D45 PolarHBondContact O-N 3.17Å; T42-D45 PolarHBondContact O-N 3.01Å; D45-K47 VanDerWaalsContact C-N 3.35Å; D45-K47 PolarHBondContact O-N 3.01Å; D45-N48 PolarHBondContact O-N 3.49Å; D45-N56 PolarHBondContact OD2-ND2 3.32Å
46	K	58.5	Low	52.3	Low	134 Å²	134	106.9 Å²	106.9	58%	0.583	52%	0.524	S	S	*	.	H	α-helix	trans	-59.7	-43.1	171.9	-76.5	178.3	-178.6	-179.2	0	112.1	T42 E43 K44	T42-K46 WeakPolarHBondContact O-CG 3.28Å; T42-K46 PolarHBondContact O-N 3.23Å; E43-K46 PolarHBondContact O-N 2.97Å; K44-K46 PolarHBondContact O-N 2.86Å
47	K	65.7	Low	51.9	Low	172 Å²	172	105 Å²	105	75%	0.748	52%	0.517	S	S	*	.	H	α-helix	trans	-69	-33.6	-179.8	-74.5	177.5	-177.6	179.4	0	113.1	E43 K44 D45 G49	E43-K47 WeakPolarHBondContact O-CG 3.39Å; E43-K47 PolarHBondContact O-N 3.23Å; K44-K47 PolarHBondContact O-N 3.11Å; D45-K47 VanDerWaalsContact C-N 3.35Å; D45-K47 PolarHBondContact O-N 3.01Å; K47-G49 VanDerWaalsContact C-N 3.27Å; K47-G49 PolarHBondContact O-N 2.73Å
48	N	60.2	Low	51.5	Low	111 Å²	111	103.3 Å²	103.3	59%	0.594	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	4.6	-174.2	-71.4	-21.5	0	0	0	114.5	K44 D45 R50	K44-N48 WeakPolarHBondContact O-CB 3.13Å; K44-N48 VanDerWaalsContact O-CG 3.28Å; K44-N48 PolarHBondContact O-N 3.44Å; K44-N48 PolarHBondContact O-ND2 3.04Å; D45-N48 PolarHBondContact O-N 3.49Å; N48-R50 PolarHBondContact O-N 3.4Å
49	G	52.1	Low	51.1	Low	67 Å²	67	104.1 Å²	104.1	69%	0.691	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	12.4	174.4	0	0	0	0	0	115.1	K47 G51	K47-G49 VanDerWaalsContact C-N 3.27Å; K47-G49 PolarHBondContact O-N 2.73Å; G49-G51 PolarHBondContact O-N 2.94Å
50	R	49.7	Very low	50.6	Low	195 Å²	195	100.5 Å²	100.5	74%	0.736	51%	0.505	S	S	*	.			trans	-75	93.9	177.5	-76.3	-175	175.9	-179.1	-1.4	108.6	N48 N52	N48-R50 PolarHBondContact O-N 3.4Å; R50-N52 PolarHBondContact O-N 3.42Å
51	G	45.6	Very low	50.1	Low	75 Å²	75	102 Å²	102	77%	0.773	51%	0.512	S	S	*	.	S	Bend	trans	-65.5	48.8	-175.3	0	0	0	0	0	116.8	G49	G49-G51 PolarHBondContact O-N 2.94Å
52	N	50.1	Low	49.7	Very low	91 Å²	91	100.9 Å²	100.9	49%	0.487	51%	0.511	S	S	.	.			trans	-123.9	28	166.8	-115.7	-16.6	0	0	0	112.3	R50 Q54 R55 N56	R50-N52 PolarHBondContact O-N 3.42Å; N52-Q54 PolarHBondContact O-N 2.95Å; N52-Q54 VanDerWaalsContact O-N 3.15Å; N52-R55 PolarHBondContact O-N 3.47Å; N52-R55 VanDerWaalsContact O-N 3.1Å; N52-N56 PolarHBondContact O-N 3.29Å
53	I	43.1	Very low	49.3	Very low	72 Å²	72	99.3 Å²	99.3	37%	0.369	50%	0.501	S	S	.	.	H	α-helix	trans	-53.4	-35.9	-177.8	-65.5	170.7	0	0	0	111.8	N57	I53-N57 WeakPolarHBondContact O-CB 3.46Å; I53-N57 PolarHBondContact O-N 3.36Å; I53-N57 PolarHBondContact O-ND2 3.41Å
54	Q	40.8	Very low	48.7	Very low	162 Å²	162	96.7 Å²	96.7	76%	0.757	49%	0.49	S	S	*	.	H	α-helix	trans	-69.1	-43.4	178	-98	173.3	-19.3	0	0	113.4	N52 N57 Q58	N52-Q54 PolarHBondContact O-N 2.95Å; N52-Q54 VanDerWaalsContact O-N 3.15Å; Q54-N57 PolarHBondContact O-N 3.06Å; Q54-Q58 WeakPolarHBondContact O-CG 3.4Å; Q54-Q58 PolarHBondContact O-N 2.87Å
55	R	42.1	Very low	48.1	Very low	174 Å²	174	97.4 Å²	97.4	66%	0.657	49%	0.493	S	S	*	.	H	α-helix	trans	-73.3	-39.3	-179	-161.9	-177.3	-91.6	-173.7	-4.8	111	N52 Q58 Y59	N52-R55 PolarHBondContact O-N 3.47Å; N52-R55 VanDerWaalsContact O-N 3.1Å; R55-Q58 PolarHBondContact O-N 2.98Å; R55-Y59 VanDerWaalsContact O-CB 3.23Å; R55-Y59 WeakPolarHBondContact O-CB 3.27Å; R55-Y59 PolarHBondContact O-N 3.03Å
56	N	40.3	Very low	47.7	Very low	72 Å²	72	96.6 Å²	96.6	39%	0.385	49%	0.486	S	S	.	.	H	α-helix	trans	-64.5	-40.3	172.3	-75.7	6.1	0	0	0	111.5	D45 N52 Y59 V60	D45-N56 PolarHBondContact OD2-ND2 3.32Å; N52-N56 PolarHBondContact O-N 3.29Å; N56-Y59 PolarHBondContact O-N 3.22Å; N56-V60 VanDerWaalsContact O-CB 3.28Å; N56-V60 WeakPolarHBondContact O-CB 2.94Å; N56-V60 WeakPolarHBondContact O-CG2 3.38Å; N56-V60 PolarHBondContact O-N 3.31Å
57	N	45.6	Very low	47.2	Very low	63 Å²	63	90.6 Å²	90.6	34%	0.337	46%	0.46	S	S	.	.	H	α-helix	trans	-65.8	-42.6	176.4	-80.8	-15.9	0	0	0	112.7	I53 Q54 Y59 Q61	I53-N57 WeakPolarHBondContact O-CB 3.46Å; I53-N57 PolarHBondContact O-N 3.36Å; I53-N57 PolarHBondContact O-ND2 3.41Å; Q54-N57 PolarHBondContact O-N 3.06Å; N57-Y59 VanDerWaalsContact C-N 3.33Å; N57-Q61 VanDerWaalsContact O-CB 3.22Å; N57-Q61 WeakPolarHBondContact O-CB 3.3Å; N57-Q61 WeakPolarHBondContact O-CG 3.38Å; N57-Q61 PolarHBondContact O-N 3.48Å
58	Q	44.6	Very low	46.5	Very low	125 Å²	125	85.5 Å²	85.5	58%	0.584	44%	0.439	S	S	*	.	H	α-helix	trans	-64.4	-41.3	176.2	-75.2	175.2	-20.4	0	0	111.5	Q54 R55 Q61 C62	Q54-Q58 WeakPolarHBondContact O-CG 3.4Å; Q54-Q58 PolarHBondContact O-N 2.87Å; R55-Q58 PolarHBondContact O-N 2.98Å; Q58-Q61 PolarHBondContact O-N 3.4Å; Q58-C62 WeakPolarHBondContact O-CB 3.48Å; Q58-C62 PolarHBondContact O-N 3.37Å
59	Y	43.1	Very low	46	Very low	59 Å²	59	81.8 Å²	81.8	23%	0.231	42%	0.419	C	S	.	.	H	α-helix	trans	-64.9	-47.5	178.4	-171.9	-105.1	0	0	0	112.3	R55 N56 N57 Q61 C62 L63 V126 I128	R55-Y59 VanDerWaalsContact O-CB 3.23Å; R55-Y59 WeakPolarHBondContact O-CB 3.27Å; R55-Y59 PolarHBondContact O-N 3.03Å; N56-Y59 PolarHBondContact O-N 3.22Å; N57-Y59 VanDerWaalsContact C-N 3.33Å; Y59-Q61 VanDerWaalsContact C-N 3.35Å; Y59-Q61 PolarHBondContact O-N 3.28Å; Y59-C62 PolarHBondContact O-N 3.45Å; Y59-L63 HydrophobicContact CD1-CD1 3.63Å; Y59-L63 HydrophobicContact CE1-CD1 3.1Å; Y59-L63 HydrophobicContact CE1-CG 4.18Å; Y59-L63 HydrophobicContact CE2-CD1 4.39Å; Y59-L63 HydrophobicContact CG-CD1 4.42Å; Y59-L63 VanDerWaalsContact CZ-CD1 3.48Å; Y59-L63 WeakPolarHBondContact O-CB 3.21Å; Y59-L63 PolarHBondContact O-N 3.32Å; Y59-V126 HydrophobicContact CE1-CB 4.41Å; Y59-V126 HydrophobicContact CE1-CG1 3.53Å; Y59-V126 HydrophobicContact CE1-CG2 4.48Å; Y59-V126 HydrophobicContact CE2-CG2 4.49Å; Y59-V126 VanDerWaalsContact CZ-CG1 3.48Å; Y59-V126 WeakPolarHBondContact OH-CB 3.45Å; Y59-V126 WeakPolarHBondContact OH-CG1 3.3Å; Y59-V126 WeakPolarHBondContact OH-CG2 3.42Å; Y59-I128 HydrophobicContact CE1-CD1 4Å
60	V	46	Very low	46	Very low	43 Å²	43	80 Å²	80	26%	0.261	39%	0.394	S	S	.	.	H	α-helix	trans	-63.1	-39.5	174.3	170	0	0	0	0	111	I38 N56 L63 I64	I38-V60 HydrophobicContact CG2-CG1 4.44Å; N56-V60 VanDerWaalsContact O-CB 3.28Å; N56-V60 WeakPolarHBondContact O-CB 2.94Å; N56-V60 WeakPolarHBondContact O-CG2 3.38Å; N56-V60 PolarHBondContact O-N 3.31Å; V60-L63 PolarHBondContact O-N 3.1Å; V60-I64 HydrophobicContact CG1-CD1 3.67Å; V60-I64 HydrophobicContact CG1-CG1 4.32Å; V60-I64 WeakPolarHBondContact O-CB 3.39Å; V60-I64 WeakPolarHBondContact O-CD1 3.28Å; V60-I64 WeakPolarHBondContact O-CG1 3.34Å; V60-I64 PolarHBondContact O-N 3.2Å
61	Q	46.5	Very low	46.2	Very low	114 Å²	114	72.7 Å²	72.7	53%	0.533	37%	0.367	S	S	.	.	H	α-helix	trans	-65.9	-41.6	175.9	-77.8	174.1	4.7	0	0	113.1	N57 Q58 Y59 I64 K65	N57-Q61 VanDerWaalsContact O-CB 3.22Å; N57-Q61 WeakPolarHBondContact O-CB 3.3Å; N57-Q61 WeakPolarHBondContact O-CG 3.38Å; N57-Q61 PolarHBondContact O-N 3.48Å; Q58-Q61 PolarHBondContact O-N 3.4Å; Y59-Q61 VanDerWaalsContact C-N 3.35Å; Y59-Q61 PolarHBondContact O-N 3.28Å; Q61-I64 PolarHBondContact O-N 2.79Å; Q61-K65 WeakPolarHBondContact O-CG 3.37Å; Q61-K65 PolarHBondContact O-N 2.62Å
62	C	44.3	Very low	46.7	Very low	62 Å²	62	69.7 Å²	69.7	42%	0.419	33%	0.333	S	S	.	.	H	α-helix	trans	-66	-41.4	175.5	-79.9	0	0	0	0	111.7	Q58 Y59 K65 Y66	Q58-C62 WeakPolarHBondContact O-CB 3.48Å; Q58-C62 PolarHBondContact O-N 3.37Å; Y59-C62 PolarHBondContact O-N 3.45Å; C62-K65 PolarHBondContact O-N 3.33Å; C62-Y66 PolarHBondContact O-N 3.47Å
63	L	44.5	Very low	47	Very low	8 Å²	8	67.2 Å²	67.2	4%	0.042	32%	0.318	C	S	.	.	H	α-helix	trans	-61.8	-44.4	173.1	-88.8	162.7	0	0	0	112.6	Y59 V60 K65 Y66 M67 M121 I128	Y59-L63 HydrophobicContact CD1-CD1 3.63Å; Y59-L63 HydrophobicContact CE1-CD1 3.1Å; Y59-L63 HydrophobicContact CE1-CG 4.18Å; Y59-L63 HydrophobicContact CE2-CD1 4.39Å; Y59-L63 HydrophobicContact CG-CD1 4.42Å; Y59-L63 VanDerWaalsContact CZ-CD1 3.48Å; Y59-L63 WeakPolarHBondContact O-CB 3.21Å; Y59-L63 PolarHBondContact O-N 3.32Å; V60-L63 PolarHBondContact O-N 3.1Å; L63-K65 VanDerWaalsContact C-N 3.27Å; L63-K65 PolarHBondContact O-N 2.97Å; L63-Y66 PolarHBondContact O-N 3.48Å; L63-M67 HydrophobicContact CB-CE 4.29Å; L63-M67 HydrophobicContact CD2-SD 4.47Å; L63-M67 WeakPolarHBondContact O-CB 3Å; L63-M67 WeakPolarHBondContact O-CE 3.09Å; L63-M67 VanDerWaalsContact O-CG 3.24Å; L63-M67 WeakPolarHBondContact O-CG 3.13Å; L63-M67 PolarHBondContact O-N 2.89Å; L63-M121 HydrophobicContact CD2-CE 3.11Å; L63-M121 HydrophobicContact CG-CE 3.52Å; L63-I128 HydrophobicContact CD1-CB 3.97Å; L63-I128 HydrophobicContact CD1-CD1 3.66Å; L63-I128 HydrophobicContact CD1-CG1 4.19Å; L63-I128 HydrophobicContact CD1-CG2 4.23Å; L63-I128 HydrophobicContact CD2-CB 4.27Å
64	I	47.4	Very low	47.9	Very low	55 Å²	55	68.7 Å²	68.7	28%	0.282	33%	0.327	S	S	.	.	H	α-helix	trans	-57	-44.8	174.6	-73.4	163	0	0	0	109.7	V60 Q61 H68 F131	V60-I64 HydrophobicContact CG1-CD1 3.67Å; V60-I64 HydrophobicContact CG1-CG1 4.32Å; V60-I64 WeakPolarHBondContact O-CB 3.39Å; V60-I64 WeakPolarHBondContact O-CD1 3.28Å; V60-I64 WeakPolarHBondContact O-CG1 3.34Å; V60-I64 PolarHBondContact O-N 3.2Å; Q61-I64 PolarHBondContact O-N 2.79Å; I64-H68 WeakPolarHBondContact O-CB 3.26Å; I64-H68 PolarHBondContact O-N 2.92Å; I64-F131 HydrophobicContact CG2-CD1 4.41Å
65	K	47.8	Very low	48.8	Very low	141 Å²	141	61.4 Å²	61.4	61%	0.613	29%	0.293	S	S	*	.	H	α-helix	trans	-64.8	-43.7	177.2	-73.2	177.6	179.8	-176.7	0	113	Q61 C62 L63 N69	Q61-K65 WeakPolarHBondContact O-CG 3.37Å; Q61-K65 PolarHBondContact O-N 2.62Å; C62-K65 PolarHBondContact O-N 3.33Å; L63-K65 VanDerWaalsContact C-N 3.27Å; L63-K65 PolarHBondContact O-N 2.97Å; K65-N69 VanDerWaalsContact O-CG 3.31Å; K65-N69 PolarHBondContact O-N 3.37Å; K65-N69 PolarHBondContact O-ND2 3.48Å
66	Y	44.3	Very low	49.5	Very low	34 Å²	34	54.8 Å²	54.8	13%	0.133	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-48.4	179.5	178.4	-103.7	0	0	0	111.6	C62 L63 N69 D70 L114 S118 M121	C62-Y66 PolarHBondContact O-N 3.47Å; L63-Y66 PolarHBondContact O-N 3.48Å; Y66-N69 PolarHBondContact O-N 3.03Å; Y66-N69 VanDerWaalsContact O-N 3.1Å; Y66-D70 PolarHBondContact O-N 3.32Å; Y66-L114 HydrophobicContact CD2-CB 4.49Å; Y66-S118 VanDerWaalsContact CE2-CB 3.48Å; Y66-S118 VanDerWaalsContact CZ-CB 3.44Å; Y66-S118 VanDerWaalsContact CZ-OG 3.28Å; Y66-S118 WeakPolarHBondContact OH-CB 3.4Å; Y66-S118 PolarHBondContact OH-OG 3.45Å; Y66-M121 HydrophobicContact CG-SD 4.38Å
67	M	48.7	Very low	50.6	Low	8 Å²	8	54.9 Å²	54.9	4%	0.039	27%	0.269	C	S	.	.	H	α-helix	trans	-71.5	-31.1	-179.2	-63.4	-178.4	-50.3	0	0	112.8	L63 N69 Y71 Y130	L63-M67 HydrophobicContact CB-CE 4.29Å; L63-M67 HydrophobicContact CD2-SD 4.47Å; L63-M67 WeakPolarHBondContact O-CB 3Å; L63-M67 WeakPolarHBondContact O-CE 3.09Å; L63-M67 VanDerWaalsContact O-CG 3.24Å; L63-M67 WeakPolarHBondContact O-CG 3.13Å; L63-M67 PolarHBondContact O-N 2.89Å; M67-N69 PolarHBondContact O-N 3.37Å; M67-Y71 WeakPolarHBondContact O-CB 3.47Å; M67-Y71 PolarHBondContact O-N 2.83Å; M67-Y71 VanDerWaalsContact O-N 3.17Å; M67-Y130 HydrophobicContact CB-CD1 4.05Å; M67-Y130 HydrophobicContact CG-CD1 4.35Å; M67-Y130 WeakPolarHBondContact SD-CA 3.45Å; M67-Y130 PolarHBondContact SD-N 3.47Å
68	H	50.5	Low	51.5	Low	64 Å²	64	55.7 Å²	55.7	30%	0.296	27%	0.271	S	S	.	.	H	α-helix	trans	-55.3	-45.5	167.8	177.1	80.6	0	0	0	109.7	I64 N72 N132	I64-H68 WeakPolarHBondContact O-CB 3.26Å; I64-H68 PolarHBondContact O-N 2.92Å; H68-N72 PolarHBondContact CE1-ND2 3.45Å; H68-N72 PolarHBondContact ND1-ND2 3.37Å; H68-N72 PolarHBondContact NE2-ND2 3.39Å; H68-N72 WeakPolarHBondContact O-CB 3.35Å; H68-N72 PolarHBondContact O-N 2.96Å; H68-N72 VanDerWaalsContact O-N 3.13Å; H68-N72 PolarHBondContact O-ND2 3.41Å; H68-N132 PolarHBondContact ND1-O 3.35Å
69	N	49	Very low	52.2	Low	33 Å²	33	50 Å²	50	18%	0.176	24%	0.244	C	C	.	.	H	α-helix	trans	-76.9	-36.5	-175.6	-66.3	-24	0	0	0	113.6	K65 Y66 M67 H73 Y111 L114	K65-N69 VanDerWaalsContact O-CG 3.31Å; K65-N69 PolarHBondContact O-N 3.37Å; K65-N69 PolarHBondContact O-ND2 3.48Å; Y66-N69 PolarHBondContact O-N 3.03Å; Y66-N69 VanDerWaalsContact O-N 3.1Å; M67-N69 PolarHBondContact O-N 3.37Å; N69-H73 VanDerWaalsContact O-CB 3.28Å; N69-H73 WeakPolarHBondContact O-CB 3.3Å; N69-H73 PolarHBondContact O-N 3.35Å; N69-Y111 HydrophobicContact CB-CD2 4.07Å; N69-L114 HydrophobicContact CB-CD1 4.03Å; N69-L114 WeakPolarHBondContact ND2-CD1 3.1Å
70	D	51.3	Low	53.2	Low	31 Å²	31	48.2 Å²	48.2	17%	0.166	24%	0.24	C	C	.	.	H	α-helix	trans	-67.3	-51.9	178.4	-165.7	62.2	0	0	0	112.5	Y66 N72 H73 D74 Y111	Y66-D70 PolarHBondContact O-N 3.32Å; D70-N72 PolarHBondContact O-N 3.34Å; D70-H73 WeakPolarHBondContact O-CB 3.46Å; D70-H73 PolarHBondContact O-N 2.96Å; D70-H73 VanDerWaalsContact O-N 3.1Å; D70-D74 PolarHBondContact O-N 3.33Å; D70-Y111 HydrophobicContact CB-CE2 3.93Å; D70-Y111 WeakPolarHBondContact OD1-CE2 3.4Å; D70-Y111 PolarHBondContact OD1-OH 2.89Å
71	Y	55.4	Low	54.3	Low	41 Å²	41	50.2 Å²	50.2	16%	0.161	25%	0.249	C	C	.	.	H	α-helix	trans	-68.6	-36.9	179.9	-179.3	-94.2	0	0	0	112.2	H27 I31 M67 H73 L75	H27-Y71 WeakPolarHBondContact CB-OH 3.49Å; H27-Y71 AromaticContact CD2-CE2 3.67Å; H27-Y71 AromaticContact CD2-CZ 3.74Å; H27-Y71 PolarHBondContact CD2-OH 3.42Å; H27-Y71 AromaticContact CG-CZ 3.99Å; I31-Y71 HydrophobicContact CD1-CD1 4.44Å; I31-Y71 HydrophobicContact CD1-CE1 3.91Å; M67-Y71 WeakPolarHBondContact O-CB 3.47Å; M67-Y71 PolarHBondContact O-N 2.83Å; M67-Y71 VanDerWaalsContact O-N 3.17Å; Y71-H73 VanDerWaalsContact C-N 3.27Å; Y71-H73 PolarHBondContact O-N 3.12Å; Y71-L75 HydrophobicContact CE1-CD2 4.47Å; Y71-L75 WeakPolarHBondContact O-CB 3.42Å; Y71-L75 PolarHBondContact O-N 3.05Å
72	N	55.3	Low	55.1	Low	11 Å²	11	45.4 Å²	45.4	6%	0.059	23%	0.227	C	C	.	.	H	α-helix	trans	-66.7	-30.3	172.8	-72.8	-31.1	0	0	0	111.5	H68 D70 M76	H68-N72 PolarHBondContact CE1-ND2 3.45Å; H68-N72 PolarHBondContact ND1-ND2 3.37Å; H68-N72 PolarHBondContact NE2-ND2 3.39Å; H68-N72 WeakPolarHBondContact O-CB 3.35Å; H68-N72 PolarHBondContact O-N 2.96Å; H68-N72 VanDerWaalsContact O-N 3.13Å; H68-N72 PolarHBondContact O-ND2 3.41Å; D70-N72 PolarHBondContact O-N 3.34Å; N72-M76 HydrophobicContact CB-CE 4.11Å; N72-M76 WeakPolarHBondContact O-CB 3.5Å; N72-M76 WeakPolarHBondContact O-CG 3.41Å; N72-M76 PolarHBondContact O-N 3.06Å
73	H	57.1	Low	55.9	Low	39 Å²	39	43.1 Å²	43.1	18%	0.181	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-52.9	178.8	-179.3	68.5	0	0	0	111.9	N69 D70 Y71 L75 M76 M77 Y111	N69-H73 VanDerWaalsContact O-CB 3.28Å; N69-H73 WeakPolarHBondContact O-CB 3.3Å; N69-H73 PolarHBondContact O-N 3.35Å; D70-H73 WeakPolarHBondContact O-CB 3.46Å; D70-H73 PolarHBondContact O-N 2.96Å; D70-H73 VanDerWaalsContact O-N 3.1Å; Y71-H73 VanDerWaalsContact C-N 3.27Å; Y71-H73 PolarHBondContact O-N 3.12Å; H73-L75 VanDerWaalsContact C-N 3.31Å; H73-L75 PolarHBondContact O-N 3.03Å; H73-M76 PolarHBondContact O-N 2.68Å; H73-M77 WeakPolarHBondContact O-CG 3.42Å; H73-M77 PolarHBondContact O-N 3.18Å; H73-Y111 HydrophobicContact CB-CD2 4.48Å
74	D	61.8	Low	56.9	Low	104 Å²	104	44.8 Å²	44.8	56%	0.556	22%	0.22	S	C	*	.	H	α-helix	trans	-60.4	-44.3	-179.8	-73.3	-15.7	0	0	0	111.3	D70 M77 E78	D70-D74 PolarHBondContact O-N 3.33Å; D74-M77 PolarHBondContact O-N 3.25Å; D74-E78 PolarHBondContact O-N 3.31Å
75	L	59	Low	57.9	Low	9 Å²	9	45.7 Å²	45.7	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-42.7	177	-179.4	66.9	0	0	0	112.1	L24 Y71 H73 M77 E78 L79 T137	L24-L75 HydrophobicContact CD1-CD1 4.46Å; L24-L75 HydrophobicContact CD2-CD1 3.32Å; L24-L75 HydrophobicContact CD2-CD2 3.5Å; L24-L75 HydrophobicContact CD2-CG 3.98Å; L24-L75 HydrophobicContact CG-CD1 3.92Å; Y71-L75 HydrophobicContact CE1-CD2 4.47Å; Y71-L75 WeakPolarHBondContact O-CB 3.42Å; Y71-L75 PolarHBondContact O-N 3.05Å; H73-L75 VanDerWaalsContact C-N 3.31Å; H73-L75 PolarHBondContact O-N 3.03Å; L75-M77 VanDerWaalsContact C-N 3.32Å; L75-M77 PolarHBondContact O-N 3.49Å; L75-E78 PolarHBondContact O-N 3.21Å; L75-L79 HydrophobicContact CG-CD1 4.29Å; L75-L79 WeakPolarHBondContact O-CG 3.5Å; L75-L79 PolarHBondContact O-N 3.32Å; L75-T137 HydrophobicContact CD2-CG2 4.13Å; L75-T137 HydrophobicContact CG-CG2 4.4Å
76	M	58	Low	58.6	Low	34 Å²	34	39.6 Å²	39.6	17%	0.167	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-40	176.4	-75.9	176.1	-178.7	0	0	111.3	N72 H73 L79 V80 F104 E107	N72-M76 HydrophobicContact CB-CE 4.11Å; N72-M76 WeakPolarHBondContact O-CB 3.5Å; N72-M76 WeakPolarHBondContact O-CG 3.41Å; N72-M76 PolarHBondContact O-N 3.06Å; H73-M76 PolarHBondContact O-N 2.68Å; M76-L79 PolarHBondContact O-N 3.5Å; M76-V80 VanDerWaalsContact O-CG2 3.28Å; M76-V80 WeakPolarHBondContact O-CG2 3.39Å; M76-V80 PolarHBondContact O-N 3.27Å; M76-F104 HydrophobicContact CB-CD1 3.77Å; M76-F104 HydrophobicContact CB-CE1 4.13Å; M76-F104 HydrophobicContact CB-CG 4.25Å; M76-F104 HydrophobicContact CE-CD1 4.26Å; M76-F104 HydrophobicContact CE-CE1 4.41Å; M76-F104 HydrophobicContact CG-CD1 3.42Å; M76-F104 VanDerWaalsContact CG-CD1 3.42Å; M76-F104 HydrophobicContact CG-CE1 3.57Å; M76-F104 HydrophobicContact CG-CG 4.37Å; M76-F104 HydrophobicContact SD-CD1 3.62Å; M76-F104 HydrophobicContact SD-CE1 4.19Å; M76-E107 HydrophobicContact CE-CB 4.37Å; M76-E107 HydrophobicContact CE-CG 4.13Å; M76-E107 HydrophobicContact SD-CB 3.94Å; M76-E107 HydrophobicContact SD-CG 4.29Å
77	M	63.2	Low	59.6	Low	75 Å²	75	38.9 Å²	38.9	37%	0.369	20%	0.198	S	C	.	.	H	α-helix	trans	-64.3	-42.6	175.2	-73.5	-59.3	-59.5	0	0	111.7	H73 D74 L75 L79 V80 N81	H73-M77 WeakPolarHBondContact O-CG 3.42Å; H73-M77 PolarHBondContact O-N 3.18Å; D74-M77 PolarHBondContact O-N 3.25Å; L75-M77 VanDerWaalsContact C-N 3.32Å; L75-M77 PolarHBondContact O-N 3.49Å; M77-L79 VanDerWaalsContact C-N 3.34Å; M77-L79 PolarHBondContact O-N 3.45Å; M77-V80 PolarHBondContact O-N 3.22Å; M77-N81 WeakPolarHBondContact O-CB 3.5Å; M77-N81 PolarHBondContact O-N 2.86Å; M77-N81 PolarHBondContact O-ND2 2.69Å; M77-N81 VanDerWaalsContact O-ND2 3.16Å
78	E	63.4	Low	60.6	Low	79 Å²	79	45.4 Å²	45.4	37%	0.369	23%	0.228	S	C	.	.	H	α-helix	trans	-60.3	-44.6	174.4	-168.6	178.9	173	0	0	111.2	D74 L75 N81 V82	D74-E78 PolarHBondContact O-N 3.31Å; L75-E78 PolarHBondContact O-N 3.21Å; E78-N81 PolarHBondContact O-N 3.15Å; E78-V82 VanDerWaalsContact O-CG2 3.22Å; E78-V82 WeakPolarHBondContact O-CG2 3.41Å; E78-V82 PolarHBondContact O-N 2.99Å
79	L	59.6	Low	61.5	Low	5 Å²	5	43.3 Å²	43.3	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-41.9	176.9	-66.3	166.9	0	0	0	113.1	V20 L75 M76 M77 N81 V82 V83 F104 T137 L141	V20-L79 HydrophobicContact CG1-CD2 4.11Å; L75-L79 HydrophobicContact CG-CD1 4.29Å; L75-L79 WeakPolarHBondContact O-CG 3.5Å; L75-L79 PolarHBondContact O-N 3.32Å; M76-L79 PolarHBondContact O-N 3.5Å; M77-L79 VanDerWaalsContact C-N 3.34Å; M77-L79 PolarHBondContact O-N 3.45Å; L79-N81 VanDerWaalsContact C-N 3.31Å; L79-V82 PolarHBondContact O-N 3.09Å; L79-V83 WeakPolarHBondContact O-CB 3.4Å; L79-V83 VanDerWaalsContact O-CG2 3.31Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.15Å; L79-F104 HydrophobicContact CB-CZ 4.45Å; L79-F104 HydrophobicContact CD1-CZ 4.27Å; L79-T137 HydrophobicContact CD1-CG2 3.33Å; L79-T137 HydrophobicContact CD2-CG2 3.77Å; L79-T137 HydrophobicContact CG-CG2 4.06Å; L79-L141 HydrophobicContact CD2-CD1 3.81Å; L79-L141 HydrophobicContact CD2-CD2 3.69Å; L79-L141 HydrophobicContact CD2-CG 3.8Å
80	V	64.2	Low	62.4	Low	23 Å²	23	45.7 Å²	45.7	14%	0.139	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-48	174.8	168	0	0	0	0	109.6	M76 M77 V82 V83 D84 F104	M76-V80 VanDerWaalsContact O-CG2 3.28Å; M76-V80 WeakPolarHBondContact O-CG2 3.39Å; M76-V80 PolarHBondContact O-N 3.27Å; M77-V80 PolarHBondContact O-N 3.22Å; V80-V82 VanDerWaalsContact C-N 3.33Å; V80-V82 PolarHBondContact O-N 3.5Å; V80-V83 PolarHBondContact O-N 2.99Å; V80-D84 WeakPolarHBondContact CG1-OD2 3.43Å; V80-D84 WeakPolarHBondContact O-CB 3.5Å; V80-D84 PolarHBondContact O-N 3.39Å; V80-F104 HydrophobicContact CG2-CB 3.99Å; V80-F104 HydrophobicContact CG2-CD2 3.24Å; V80-F104 HydrophobicContact CG2-CE2 3.91Å; V80-F104 HydrophobicContact CG2-CG 3.91Å
81	N	68.2	Low	63.4	Low	84 Å²	84	51.5 Å²	51.5	45%	0.449	26%	0.264	S	S	.	.	H	α-helix	trans	-60.6	-42	178.2	-71.2	-27.8	0	0	0	111.9	M77 E78 L79 D84 N85	M77-N81 WeakPolarHBondContact O-CB 3.5Å; M77-N81 PolarHBondContact O-N 2.86Å; M77-N81 PolarHBondContact O-ND2 2.69Å; M77-N81 VanDerWaalsContact O-ND2 3.16Å; E78-N81 PolarHBondContact O-N 3.15Å; L79-N81 VanDerWaalsContact C-N 3.31Å; N81-D84 PolarHBondContact O-N 2.77Å; N81-N85 VanDerWaalsContact O-CB 3.29Å; N81-N85 WeakPolarHBondContact O-CB 3.35Å; N81-N85 PolarHBondContact O-N 2.92Å; N81-N85 PolarHBondContact O-ND2 3.17Å
82	V	64.8	Low	63.8	Low	13 Å²	13	53.1 Å²	53.1	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-45.8	176	171	0	0	0	0	111.1	V20 E78 L79 V80 N85 I86	V20-V82 HydrophobicContact CG2-CG2 3.71Å; E78-V82 VanDerWaalsContact O-CG2 3.22Å; E78-V82 WeakPolarHBondContact O-CG2 3.41Å; E78-V82 PolarHBondContact O-N 2.99Å; L79-V82 PolarHBondContact O-N 3.09Å; V80-V82 VanDerWaalsContact C-N 3.33Å; V80-V82 PolarHBondContact O-N 3.5Å; V82-N85 PolarHBondContact O-N 3.45Å; V82-I86 HydrophobicContact CG1-CD1 3.88Å; V82-I86 VanDerWaalsContact O-CG1 3.23Å; V82-I86 WeakPolarHBondContact O-CG1 3.16Å; V82-I86 PolarHBondContact O-N 3.46Å
83	V	61.2	Low	64.5	Low	14 Å²	14	57.5 Å²	57.5	9%	0.085	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-45.4	177.5	169.9	0	0	0	0	111	L79 V80 N85 I86 E87 L144	L79-V83 WeakPolarHBondContact O-CB 3.4Å; L79-V83 VanDerWaalsContact O-CG2 3.31Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.15Å; V80-V83 PolarHBondContact O-N 2.99Å; V83-N85 VanDerWaalsContact C-N 3.35Å; V83-N85 PolarHBondContact O-N 3.1Å; V83-I86 PolarHBondContact O-N 3.21Å; V83-E87 HydrophobicContact CG1-CG 4.46Å; V83-E87 WeakPolarHBondContact O-CB 3.34Å; V83-E87 WeakPolarHBondContact O-CG 3.15Å; V83-E87 PolarHBondContact O-N 3.44Å; V83-L144 HydrophobicContact CG2-CD1 4.43Å
84	D	65.6	Low	64.7	Low	44 Å²	44	59.6 Å²	59.6	24%	0.235	32%	0.318	C	S	.	.	H	α-helix	trans	-59.1	-45.6	176	-79.7	-29.9	0	0	0	111.6	V80 N81 I86 E87 Q88 K101	V80-D84 WeakPolarHBondContact CG1-OD2 3.43Å; V80-D84 WeakPolarHBondContact O-CB 3.5Å; V80-D84 PolarHBondContact O-N 3.39Å; N81-D84 PolarHBondContact O-N 2.77Å; D84-I86 VanDerWaalsContact C-N 3.3Å; D84-I86 PolarHBondContact O-N 2.81Å; D84-E87 PolarHBondContact O-N 3.17Å; D84-Q88 VanDerWaalsContact O-CB 3.31Å; D84-Q88 WeakPolarHBondContact O-CB 3.45Å; D84-Q88 WeakPolarHBondContact O-CG 3.44Å; D84-Q88 PolarHBondContact O-N 2.85Å; D84-K101 WeakPolarHBondContact OD1-CE 3.42Å; D84-K101 IonicContact OD1-NZ 2.66Å; D84-K101 PolarHBondContact OD1-NZ 3.02Å
85	N	68.4	Low	64.9	Low	74 Å²	74	61.4 Å²	61.4	40%	0.396	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-38.1	177.8	-73.4	-22.2	0	0	0	112	N81 V82 V83 S89	N81-N85 VanDerWaalsContact O-CB 3.29Å; N81-N85 WeakPolarHBondContact O-CB 3.35Å; N81-N85 PolarHBondContact O-N 2.92Å; N81-N85 PolarHBondContact O-ND2 3.17Å; V82-N85 PolarHBondContact O-N 3.45Å; V83-N85 VanDerWaalsContact C-N 3.35Å; V83-N85 PolarHBondContact O-N 3.1Å; N85-S89 WeakPolarHBondContact O-CB 3.48Å; N85-S89 PolarHBondContact O-N 3.13Å; N85-S89 PolarHBondContact O-OG 3.29Å
86	I	62.3	Low	64.8	Low	13 Å²	13	68.5 Å²	68.5	7%	0.067	35%	0.353	C	S	.	.	H	α-helix	trans	-68.1	-47.2	176.2	-70	170.4	0	0	0	110.9	I13 I17 V82 V83 D84 S89 L90 L144	I13-I86 HydrophobicContact CG2-CD1 3.85Å; I13-I86 HydrophobicContact CG2-CG1 3.69Å; I17-I86 HydrophobicContact CD1-CD1 3.96Å; I17-I86 HydrophobicContact CG1-CD1 4.04Å; V82-I86 HydrophobicContact CG1-CD1 3.88Å; V82-I86 VanDerWaalsContact O-CG1 3.23Å; V82-I86 WeakPolarHBondContact O-CG1 3.16Å; V82-I86 PolarHBondContact O-N 3.46Å; V83-I86 PolarHBondContact O-N 3.21Å; D84-I86 VanDerWaalsContact C-N 3.3Å; D84-I86 PolarHBondContact O-N 2.81Å; I86-S89 PolarHBondContact O-N 2.74Å; I86-L90 HydrophobicContact CG2-CD1 3.85Å; I86-L90 WeakPolarHBondContact O-CB 3.07Å; I86-L90 WeakPolarHBondContact O-CG 3.48Å; I86-L90 PolarHBondContact O-N 3.19Å; I86-L144 HydrophobicContact CD1-CD2 3.38Å
87	E	63.7	Low	64.7	Low	19 Å²	19	67.2 Å²	67.2	9%	0.089	35%	0.348	C	S	.	.	H	α-helix	trans	-61.8	-47.4	178.8	-76.8	-165.4	144	0	0	112.1	V83 D84 S89 L90 N91 V92 T93 D94 S97 K101	V83-E87 HydrophobicContact CG1-CG 4.46Å; V83-E87 WeakPolarHBondContact O-CB 3.34Å; V83-E87 WeakPolarHBondContact O-CG 3.15Å; V83-E87 PolarHBondContact O-N 3.44Å; D84-E87 PolarHBondContact O-N 3.17Å; E87-S89 VanDerWaalsContact C-N 3.33Å; E87-S89 PolarHBondContact O-N 2.99Å; E87-L90 PolarHBondContact O-N 3.49Å; E87-N91 WeakPolarHBondContact O-CA 3.5Å; E87-N91 PolarHBondContact O-N 3.04Å; E87-V92 WeakPolarHBondContact CA-O 3.35Å; E87-V92 WeakPolarHBondContact CB-O 3.18Å; E87-V92 WeakPolarHBondContact CG-O 3.4Å; E87-V92 PolarHBondContact O-N 3.21Å; E87-V92 VanDerWaalsContact O-N 3.14Å; E87-T93 WeakPolarHBondContact OE1-CA 3.41Å; E87-D94 PolarHBondContact OE1-N 3.21Å; E87-S97 VanDerWaalsContact CD-OG 3.31Å; E87-S97 VanDerWaalsContact OE1-CB 3.3Å; E87-S97 WeakPolarHBondContact OE1-CB 3.34Å; E87-S97 PolarHBondContact OE1-OG 3.08Å; E87-K101 IonicContact OE2-NZ 2.68Å; E87-K101 PolarHBondContact OE2-NZ 3.31Å
88	Q	71.4	Confident	64.5	Low	145 Å²	145	67.9 Å²	67.9	68%	0.678	35%	0.352	S	S	*	.	H	α-helix	trans	-62.5	-41.5	174.7	-70.8	175.4	14.1	0	0	111.5	D84 N91	D84-Q88 VanDerWaalsContact O-CB 3.31Å; D84-Q88 WeakPolarHBondContact O-CB 3.45Å; D84-Q88 WeakPolarHBondContact O-CG 3.44Å; D84-Q88 PolarHBondContact O-N 2.85Å; Q88-N91 PolarHBondContact O-N 3.21Å
89	S	67.9	Low	64.5	Low	19 Å²	19	70.9 Å²	70.9	13%	0.133	36%	0.364	C	S	.	.	H	α-helix	trans	-63.4	-42.9	176.6	-72.6	0	0	0	0	111.3	K9 N85 I86 E87	K9-S89 WeakPolarHBondContact CE-O 2.91Å; K9-S89 PolarHBondContact NZ-O 3.15Å; N85-S89 WeakPolarHBondContact O-CB 3.48Å; N85-S89 PolarHBondContact O-N 3.13Å; N85-S89 PolarHBondContact O-OG 3.29Å; I86-S89 PolarHBondContact O-N 2.74Å; E87-S89 VanDerWaalsContact C-N 3.33Å; E87-S89 PolarHBondContact O-N 2.99Å
90	L	67.6	Low	64.4	Low	84 Å²	84	72 Å²	72	44%	0.44	37%	0.37	S	S	.	.	H	α-helix	trans	-88.8	-6.7	-176.1	-64.4	177.1	0	0	0	113.4	I13 I86 E87 V92	I13-L90 HydrophobicContact CD1-CD2 4.13Å; I13-L90 HydrophobicContact CD1-CG 4.21Å; I86-L90 HydrophobicContact CG2-CD1 3.85Å; I86-L90 WeakPolarHBondContact O-CB 3.07Å; I86-L90 WeakPolarHBondContact O-CG 3.48Å; I86-L90 PolarHBondContact O-N 3.19Å; E87-L90 PolarHBondContact O-N 3.49Å; L90-V92 HydrophobicContact CB-CG1 4.24Å; L90-V92 HydrophobicContact CB-CG2 3.68Å; L90-V92 HydrophobicContact CD1-CG2 4.49Å; L90-V92 PolarHBondContact O-N 2.87Å
91	N	72.6	Confident	64.1	Low	153 Å²	153	72.9 Å²	72.9	82%	0.818	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	44.9	-170.4	-166	49	0	0	0	111.9	E87 Q88	E87-N91 WeakPolarHBondContact O-CA 3.5Å; E87-N91 PolarHBondContact O-N 3.04Å; Q88-N91 PolarHBondContact O-N 3.21Å
92	V	65.2	Low	63.9	Low	74 Å²	74	72.7 Å²	72.7	45%	0.448	37%	0.371	S	S	.	.			trans	-127.2	151.8	178.5	-61.2	0	0	0	0	109.5	E87 L90	E87-V92 WeakPolarHBondContact CA-O 3.35Å; E87-V92 WeakPolarHBondContact CB-O 3.18Å; E87-V92 WeakPolarHBondContact CG-O 3.4Å; E87-V92 PolarHBondContact O-N 3.21Å; E87-V92 VanDerWaalsContact O-N 3.14Å; L90-V92 HydrophobicContact CB-CG1 4.24Å; L90-V92 HydrophobicContact CB-CG2 3.68Å; L90-V92 HydrophobicContact CD1-CG2 4.49Å; L90-V92 PolarHBondContact O-N 2.87Å
93	T	69.7	Low	63.3	Low	104 Å²	104	74.4 Å²	74.4	64%	0.638	38%	0.383	S	S	*	.			trans	-124.2	118.8	167.3	-53.9	0	0	0	0	107.7	E87 L98	E87-T93 WeakPolarHBondContact OE1-CA 3.41Å; T93-L98 HydrophobicContact CG2-CD1 3.92Å; T93-L98 HydrophobicContact CG2-CD2 4.08Å; T93-L98 HydrophobicContact CG2-CG 3.99Å
94	D	60.5	Low	63.1	Low	82 Å²	82	74.5 Å²	74.5	44%	0.439	38%	0.382	S	S	.	.			trans	-95.7	133.5	-177.8	-179.1	-87.7	0	0	0	111.3	E87 K96 S97 L98	E87-D94 PolarHBondContact OE1-N 3.21Å; D94-K96 PolarHBondContact O-N 3.5Å; D94-K96 VanDerWaalsContact OD1-CA 3.29Å; D94-K96 WeakPolarHBondContact OD1-CA 3.44Å; D94-K96 WeakPolarHBondContact OD1-CB 3.48Å; D94-K96 PolarHBondContact OD1-N 3.25Å; D94-S97 WeakPolarHBondContact O-CB 3.18Å; D94-S97 PolarHBondContact O-N 3.46Å; D94-S97 VanDerWaalsContact O-N 3.1Å; D94-S97 PolarHBondContact O-OG 3.32Å; D94-S97 PolarHBondContact OD1-N 2.91Å; D94-S97 VanDerWaalsContact OD1-N 3.14Å; D94-L98 PolarHBondContact O-N 3.26Å; D94-L98 VanDerWaalsContact O-N 3.17Å
95	Q	65.8	Low	62.7	Low	143 Å²	143	76.1 Å²	76.1	67%	0.668	39%	0.393	S	S	*	.	H	α-helix	trans	-65.7	-27.1	-176.7	-165.2	-177.2	4.1	0	0	112.9	K99	Q95-K99 PolarHBondContact O-N 2.86Å
96	K	56.8	Low	62.3	Low	158 Å²	158	78.2 Å²	78.2	69%	0.687	40%	0.399	S	S	*	.	H	α-helix	trans	-75.1	-35.3	174.6	-56.2	173.8	177.1	171.9	0	110.6	D94 L98 K99 L100	D94-K96 PolarHBondContact O-N 3.5Å; D94-K96 VanDerWaalsContact OD1-CA 3.29Å; D94-K96 WeakPolarHBondContact OD1-CA 3.44Å; D94-K96 WeakPolarHBondContact OD1-CB 3.48Å; D94-K96 PolarHBondContact OD1-N 3.25Å; K96-L98 VanDerWaalsContact C-N 3.32Å; K96-L98 PolarHBondContact O-N 3.01Å; K96-K99 PolarHBondContact O-N 3.25Å; K96-L100 WeakPolarHBondContact O-CG 3.35Å; K96-L100 PolarHBondContact O-N 2.96Å
97	S	55.6	Low	61.7	Low	7 Å²	7	81.4 Å²	81.4	5%	0.049	41%	0.414	C	S	.	.	H	α-helix	trans	-59.8	-42.7	173.8	87.1	0	0	0	0	111.4	E87 D94 K99 L100 K101	E87-S97 VanDerWaalsContact CD-OG 3.31Å; E87-S97 VanDerWaalsContact OE1-CB 3.3Å; E87-S97 WeakPolarHBondContact OE1-CB 3.34Å; E87-S97 PolarHBondContact OE1-OG 3.08Å; D94-S97 WeakPolarHBondContact O-CB 3.18Å; D94-S97 PolarHBondContact O-N 3.46Å; D94-S97 VanDerWaalsContact O-N 3.1Å; D94-S97 PolarHBondContact O-OG 3.32Å; D94-S97 PolarHBondContact OD1-N 2.91Å; D94-S97 VanDerWaalsContact OD1-N 3.14Å; S97-K99 PolarHBondContact O-N 3.28Å; S97-L100 WeakPolarHBondContact O-CB 3.37Å; S97-L100 PolarHBondContact O-N 3.23Å; S97-L100 VanDerWaalsContact O-N 3.11Å; S97-K101 WeakPolarHBondContact O-CG 3.49Å; S97-K101 PolarHBondContact O-N 3.12Å
98	L	60.6	Low	61.2	Low	88 Å²	88	83.8 Å²	83.8	46%	0.461	43%	0.426	S	S	.	.	H	α-helix	trans	-62.7	-42.1	178.6	-70.6	174.7	0	0	0	112	T93 D94 K96 L100 K101 D102	T93-L98 HydrophobicContact CG2-CD1 3.92Å; T93-L98 HydrophobicContact CG2-CD2 4.08Å; T93-L98 HydrophobicContact CG2-CG 3.99Å; D94-L98 PolarHBondContact O-N 3.26Å; D94-L98 VanDerWaalsContact O-N 3.17Å; K96-L98 VanDerWaalsContact C-N 3.32Å; K96-L98 PolarHBondContact O-N 3.01Å; L98-L100 VanDerWaalsContact C-N 3.29Å; L98-L100 PolarHBondContact O-N 3.39Å; L98-K101 PolarHBondContact O-N 3.26Å; L98-D102 WeakPolarHBondContact O-CB 3.35Å; L98-D102 PolarHBondContact O-N 3.3Å
99	K	63.5	Low	60.4	Low	142 Å²	142	81.1 Å²	81.1	62%	0.617	42%	0.415	S	S	*	.	H	α-helix	trans	-63.7	-36.1	174.6	-72.6	-179	177.7	-178.7	0	112.1	Q95 K96 S97 C103	Q95-K99 PolarHBondContact O-N 2.86Å; K96-K99 PolarHBondContact O-N 3.25Å; S97-K99 PolarHBondContact O-N 3.28Å; K99-C103 WeakPolarHBondContact O-CB 3.38Å; K99-C103 PolarHBondContact O-N 3.33Å
100	L	55.9	Low	59.5	Low	28 Å²	28	82.2 Å²	82.2	15%	0.147	43%	0.426	C	S	.	.	H	α-helix	trans	-68	-46	175.8	-72.6	165.9	0	0	0	111.1	K96 S97 L98 D102 C103 F104 F136 V140	K96-L100 WeakPolarHBondContact O-CG 3.35Å; K96-L100 PolarHBondContact O-N 2.96Å; S97-L100 WeakPolarHBondContact O-CB 3.37Å; S97-L100 PolarHBondContact O-N 3.23Å; S97-L100 VanDerWaalsContact O-N 3.11Å; L98-L100 VanDerWaalsContact C-N 3.29Å; L98-L100 PolarHBondContact O-N 3.39Å; L100-D102 VanDerWaalsContact C-N 3.33Å; L100-D102 PolarHBondContact O-N 3.45Å; L100-C103 VanDerWaalsContact O-CB 3.3Å; L100-C103 WeakPolarHBondContact O-CB 3.49Å; L100-C103 PolarHBondContact O-N 3.13Å; L100-C103 VanDerWaalsContact O-N 3.12Å; L100-F104 HydrophobicContact CB-CE2 4.06Å; L100-F104 WeakPolarHBondContact O-CD2 3.39Å; L100-F104 VanDerWaalsContact O-CG 3.26Å; L100-F104 WeakPolarHBondContact O-CG 3.2Å; L100-F104 PolarHBondContact O-N 3.21Å; L100-F136 HydrophobicContact CD2-CE1 3.82Å; L100-F136 HydrophobicContact CD2-CZ 3.83Å; L100-V140 HydrophobicContact CD1-CG1 3.86Å; L100-V140 HydrophobicContact CD1-CG2 4.38Å; L100-V140 HydrophobicContact CD2-CG2 3.94Å
101	K	58.5	Low	58.5	Low	42 Å²	42	79.8 Å²	79.8	18%	0.183	41%	0.411	C	S	.	.	H	α-helix	trans	-58.9	-42.3	175.3	-70.1	172.5	179.4	179.7	0	112.5	D84 E87 S97 L98 F104 T105	D84-K101 WeakPolarHBondContact OD1-CE 3.42Å; D84-K101 IonicContact OD1-NZ 2.66Å; D84-K101 PolarHBondContact OD1-NZ 3.02Å; E87-K101 IonicContact OE2-NZ 2.68Å; E87-K101 PolarHBondContact OE2-NZ 3.31Å; S97-K101 WeakPolarHBondContact O-CG 3.49Å; S97-K101 PolarHBondContact O-N 3.12Å; L98-K101 PolarHBondContact O-N 3.26Å; K101-F104 PolarHBondContact O-N 3.46Å; K101-T105 WeakPolarHBondContact O-CB 3.25Å; K101-T105 PolarHBondContact O-N 3.28Å; K101-T105 PolarHBondContact O-OG1 3.48Å
102	D	63.9	Low	57.5	Low	80 Å²	80	77.6 Å²	77.6	43%	0.428	40%	0.396	S	S	.	.	H	α-helix	trans	-61.8	-43.2	174	176.5	62.5	0	0	0	111.7	L98 L100 T105 K106	L98-D102 WeakPolarHBondContact O-CB 3.35Å; L98-D102 PolarHBondContact O-N 3.3Å; L100-D102 VanDerWaalsContact C-N 3.33Å; L100-D102 PolarHBondContact O-N 3.45Å; D102-T105 PolarHBondContact O-N 2.98Å; D102-K106 WeakPolarHBondContact O-CG 3.43Å; D102-K106 PolarHBondContact O-N 3.47Å; D102-K106 WeakPolarHBondContact OD1-CE 3.47Å; D102-K106 IonicContact OD1-NZ 2.77Å; D102-K106 WeakPolarHBondContact OD2-CE 3.48Å; D102-K106 IonicContact OD2-NZ 3.53Å; D102-K106 PolarHBondContact OD2-NZ 3.05Å
103	C	53.6	Low	56.7	Low	49 Å²	49	79.3 Å²	79.3	33%	0.331	40%	0.402	S	S	.	.	H	α-helix	trans	-59.3	-48.7	174.4	-167.3	0	0	0	0	111.4	K99 L100 T105 K106 E107	K99-C103 WeakPolarHBondContact O-CB 3.38Å; K99-C103 PolarHBondContact O-N 3.33Å; L100-C103 VanDerWaalsContact O-CB 3.3Å; L100-C103 WeakPolarHBondContact O-CB 3.49Å; L100-C103 PolarHBondContact O-N 3.13Å; L100-C103 VanDerWaalsContact O-N 3.12Å; C103-T105 VanDerWaalsContact C-N 3.32Å; C103-T105 PolarHBondContact O-N 3.45Å; C103-K106 PolarHBondContact O-N 3.33Å; C103-E107 WeakPolarHBondContact O-CG 2.91Å; C103-E107 PolarHBondContact O-N 3.01Å
104	F	56.7	Low	55.6	Low	17 Å²	17	76.2 Å²	76.2	8%	0.075	38%	0.381	C	S	.	.	H	α-helix	trans	-62.6	-38.5	179.3	-62.3	-41.8	0	0	0	112.5	M76 L79 V80 L100 K101 K106 E107 M108	M76-F104 HydrophobicContact CB-CD1 3.77Å; M76-F104 HydrophobicContact CB-CE1 4.13Å; M76-F104 HydrophobicContact CB-CG 4.25Å; M76-F104 HydrophobicContact CE-CD1 4.26Å; M76-F104 HydrophobicContact CE-CE1 4.41Å; M76-F104 HydrophobicContact CG-CD1 3.42Å; M76-F104 VanDerWaalsContact CG-CD1 3.42Å; M76-F104 HydrophobicContact CG-CE1 3.57Å; M76-F104 HydrophobicContact CG-CG 4.37Å; M76-F104 HydrophobicContact SD-CD1 3.62Å; M76-F104 HydrophobicContact SD-CE1 4.19Å; L79-F104 HydrophobicContact CB-CZ 4.45Å; L79-F104 HydrophobicContact CD1-CZ 4.27Å; V80-F104 HydrophobicContact CG2-CB 3.99Å; V80-F104 HydrophobicContact CG2-CD2 3.24Å; V80-F104 HydrophobicContact CG2-CE2 3.91Å; V80-F104 HydrophobicContact CG2-CG 3.91Å; L100-F104 HydrophobicContact CB-CE2 4.06Å; L100-F104 WeakPolarHBondContact O-CD2 3.39Å; L100-F104 VanDerWaalsContact O-CG 3.26Å; L100-F104 WeakPolarHBondContact O-CG 3.2Å; L100-F104 PolarHBondContact O-N 3.21Å; K101-F104 PolarHBondContact O-N 3.46Å; F104-K106 PolarHBondContact O-N 3.12Å; F104-E107 PolarHBondContact O-N 3.4Å; F104-M108 WeakPolarHBondContact O-CB 3.24Å; F104-M108 PolarHBondContact O-N 3.39Å
105	T	56.7	Low	54.9	Low	77 Å²	77	75.3 Å²	75.3	47%	0.472	38%	0.377	S	S	.	.	H	α-helix	trans	-63.2	-41.6	176	-56	0	0	0	0	111.5	K101 D102 C103 M108 I109	K101-T105 WeakPolarHBondContact O-CB 3.25Å; K101-T105 PolarHBondContact O-N 3.28Å; K101-T105 PolarHBondContact O-OG1 3.48Å; D102-T105 PolarHBondContact O-N 2.98Å; C103-T105 VanDerWaalsContact C-N 3.32Å; C103-T105 PolarHBondContact O-N 3.45Å; T105-M108 WeakPolarHBondContact O-CB 3.37Å; T105-M108 PolarHBondContact O-N 2.89Å; T105-I109 HydrophobicContact CG2-CD1 4.41Å; T105-I109 WeakPolarHBondContact O-CG1 3.07Å; T105-I109 PolarHBondContact O-N 2.89Å
106	K	60	Low	54	Low	118 Å²	118	75.7 Å²	75.7	51%	0.513	38%	0.378	S	S	.	.	H	α-helix	trans	-64.9	-42.7	177	-74.1	168.6	178.4	163	0	112.1	D102 C103 F104 M108 I109 A110	D102-K106 WeakPolarHBondContact O-CG 3.43Å; D102-K106 PolarHBondContact O-N 3.47Å; D102-K106 WeakPolarHBondContact OD1-CE 3.47Å; D102-K106 IonicContact OD1-NZ 2.77Å; D102-K106 WeakPolarHBondContact OD2-CE 3.48Å; D102-K106 IonicContact OD2-NZ 3.53Å; D102-K106 PolarHBondContact OD2-NZ 3.05Å; C103-K106 PolarHBondContact O-N 3.33Å; F104-K106 PolarHBondContact O-N 3.12Å; K106-M108 VanDerWaalsContact C-N 3.33Å; K106-I109 PolarHBondContact O-N 3.03Å; K106-A110 PolarHBondContact O-N 2.89Å
107	E	50.5	Low	53.3	Low	81 Å²	81	71 Å²	71	38%	0.379	36%	0.361	S	S	.	.	H	α-helix	trans	-63.4	-38.8	174.6	-67.3	-62.6	154.6	0	0	111.5	M76 C103 F104 I109 A110 Y111	M76-E107 HydrophobicContact CE-CB 4.37Å; M76-E107 HydrophobicContact CE-CG 4.13Å; M76-E107 HydrophobicContact SD-CB 3.94Å; M76-E107 HydrophobicContact SD-CG 4.29Å; C103-E107 WeakPolarHBondContact O-CG 2.91Å; C103-E107 PolarHBondContact O-N 3.01Å; F104-E107 PolarHBondContact O-N 3.4Å; E107-I109 PolarHBondContact O-N 3.49Å; E107-A110 WeakPolarHBondContact O-CB 2.83Å; E107-A110 PolarHBondContact O-N 3.04Å; E107-Y111 PolarHBondContact O-N 2.76Å
108	M	52	Low	52.6	Low	69 Å²	69	71.6 Å²	71.6	34%	0.34	37%	0.365	S	S	.	.	H	α-helix	trans	-62.2	-41.9	174.4	177.3	-176.3	142	0	0	112.7	F104 T105 K106 A110 Y111 Q112	F104-M108 WeakPolarHBondContact O-CB 3.24Å; F104-M108 PolarHBondContact O-N 3.39Å; T105-M108 WeakPolarHBondContact O-CB 3.37Å; T105-M108 PolarHBondContact O-N 2.89Å; K106-M108 VanDerWaalsContact C-N 3.33Å; M108-A110 VanDerWaalsContact C-N 3.31Å; M108-A110 PolarHBondContact O-N 3.26Å; M108-Y111 WeakPolarHBondContact O-CB 2.87Å; M108-Y111 PolarHBondContact O-N 3.39Å; M108-Q112 PolarHBondContact O-N 3.03Å
109	I	54.3	Low	52	Low	88 Å²	88	72.6 Å²	72.6	45%	0.451	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-40.3	174.6	-67.3	166.2	0	0	0	110.3	T105 K106 E107 Y111 Q112 N113	T105-I109 HydrophobicContact CG2-CD1 4.41Å; T105-I109 WeakPolarHBondContact O-CG1 3.07Å; T105-I109 PolarHBondContact O-N 2.89Å; K106-I109 PolarHBondContact O-N 3.03Å; E107-I109 PolarHBondContact O-N 3.49Å; I109-Y111 VanDerWaalsContact C-N 3.3Å; I109-Y111 PolarHBondContact O-N 3.17Å; I109-Q112 PolarHBondContact O-N 3.2Å; I109-N113 PolarHBondContact O-N 3.14Å; I109-N113 PolarHBondContact O-ND2 3.48Å
110	A	49.1	Very low	51.1	Low	43 Å²	43	72 Å²	72	36%	0.355	37%	0.365	S	S	.	.	H	α-helix	trans	-62.7	-37.4	174.7	0	0	0	0	0	112.1	K106 E107 M108 N113 L114	K106-A110 PolarHBondContact O-N 2.89Å; E107-A110 WeakPolarHBondContact O-CB 2.83Å; E107-A110 PolarHBondContact O-N 3.04Å; M108-A110 VanDerWaalsContact C-N 3.31Å; M108-A110 PolarHBondContact O-N 3.26Å; A110-N113 PolarHBondContact O-N 3.31Å; A110-L114 WeakPolarHBondContact O-CG 3.25Å; A110-L114 PolarHBondContact O-N 3.23Å
111	Y	47.9	Very low	50.5	Low	33 Å²	33	71.6 Å²	71.6	13%	0.129	36%	0.362	C	S	.	.	H	α-helix	trans	-64.8	-44.3	173.9	174.8	-95.8	0	0	0	112.9	N69 D70 H73 E107 M108 I109 N113 L114 N115	N69-Y111 HydrophobicContact CB-CD2 4.07Å; D70-Y111 HydrophobicContact CB-CE2 3.93Å; D70-Y111 WeakPolarHBondContact OD1-CE2 3.4Å; D70-Y111 PolarHBondContact OD1-OH 2.89Å; H73-Y111 HydrophobicContact CB-CD2 4.48Å; E107-Y111 PolarHBondContact O-N 2.76Å; M108-Y111 WeakPolarHBondContact O-CB 2.87Å; M108-Y111 PolarHBondContact O-N 3.39Å; I109-Y111 VanDerWaalsContact C-N 3.3Å; I109-Y111 PolarHBondContact O-N 3.17Å; Y111-N113 PolarHBondContact O-N 3.35Å; Y111-L114 CarbonylContact O-C 3.56Å; Y111-L114 WeakPolarHBondContact O-CA 3.41Å; Y111-L114 WeakPolarHBondContact O-CB 3.49Å; Y111-L114 PolarHBondContact O-N 3.48Å; Y111-N115 PolarHBondContact O-N 3.45Å; Y111-N115 VanDerWaalsContact O-N 3.12Å
112	Q	50.3	Low	49.8	Very low	107 Å²	107	77.1 Å²	77.1	50%	0.5	39%	0.388	S	S	.	.	H	α-helix	trans	-57.4	-38.9	177.4	-74.8	-179.9	-19.8	0	0	112.1	M108 I109 L114 N115	M108-Q112 PolarHBondContact O-N 3.03Å; I109-Q112 PolarHBondContact O-N 3.2Å; Q112-L114 PolarHBondContact O-N 3.47Å; Q112-N115 WeakPolarHBondContact O-CB 3.38Å; Q112-N115 PolarHBondContact O-N 3.35Å
113	N	49.4	Very low	48.9	Very low	109 Å²	109	80 Å²	80	58%	0.583	40%	0.401	S	S	*	.	H	α-helix	trans	-67.3	-22	174.7	-66.5	-30.8	0	0	0	113.1	I109 A110 Y111	I109-N113 PolarHBondContact O-N 3.14Å; I109-N113 PolarHBondContact O-ND2 3.48Å; A110-N113 PolarHBondContact O-N 3.31Å; Y111-N113 PolarHBondContact O-N 3.35Å
114	L	45.1	Very low	48.3	Very low	39 Å²	39	85.7 Å²	85.7	20%	0.204	42%	0.416	C	S	.	.	H	α-helix	trans	-88.1	-14.1	175.8	-70.6	164.7	0	0	0	113.6	Y66 N69 A110 Y111 Q112 E116 L117 S118	Y66-L114 HydrophobicContact CD2-CB 4.49Å; N69-L114 HydrophobicContact CB-CD1 4.03Å; N69-L114 WeakPolarHBondContact ND2-CD1 3.1Å; A110-L114 WeakPolarHBondContact O-CG 3.25Å; A110-L114 PolarHBondContact O-N 3.23Å; Y111-L114 CarbonylContact O-C 3.56Å; Y111-L114 WeakPolarHBondContact O-CA 3.41Å; Y111-L114 WeakPolarHBondContact O-CB 3.49Å; Y111-L114 PolarHBondContact O-N 3.48Å; Q112-L114 PolarHBondContact O-N 3.47Å; L114-E116 PolarHBondContact O-N 3.11Å; L114-L117 HydrophobicContact CD2-CB 4.46Å; L114-L117 HydrophobicContact CD2-CD2 3.9Å; L114-L117 CarbonylContact O-C 3.58Å; L114-L117 WeakPolarHBondContact O-CA 3.42Å; L114-L117 WeakPolarHBondContact O-CB 3.5Å; L114-L117 PolarHBondContact O-N 3.49Å; L114-S118 PolarHBondContact O-N 3.37Å
115	N	46.4	Very low	47.5	Very low	64 Å²	64	92.1 Å²	92.1	34%	0.342	45%	0.445	S	S	.	.	H	α-helix	trans	-62	-27.6	172	-100.5	-11.2	0	0	0	112.3	Y111 Q112 L117 S118 N119	Y111-N115 PolarHBondContact O-N 3.45Å; Y111-N115 VanDerWaalsContact O-N 3.12Å; Q112-N115 WeakPolarHBondContact O-CB 3.38Å; Q112-N115 PolarHBondContact O-N 3.35Å; N115-L117 VanDerWaalsContact C-N 3.28Å; N115-L117 PolarHBondContact O-N 2.98Å; N115-S118 WeakPolarHBondContact O-CB 3.12Å; N115-S118 PolarHBondContact O-N 2.96Å; N115-N119 PolarHBondContact O-N 3.02Å
116	E	47.2	Very low	46.6	Very low	150 Å²	150	91.2 Å²	91.2	70%	0.701	44%	0.44	S	S	*	.	H	α-helix	trans	-61.7	-38.1	168.6	-62.8	-173.4	169	0	0	112	L114 W120	L114-E116 PolarHBondContact O-N 3.11Å; E116-W120 PolarHBondContact O-N 2.9Å
117	L	41.6	Very low	45.4	Very low	60 Å²	60	95.2 Å²	95.2	31%	0.314	45%	0.453	S	S	.	.	H	α-helix	trans	-69.1	-38.6	174.8	-168.5	71.2	0	0	0	111.2	L114 N115 W120 M121	L114-L117 HydrophobicContact CD2-CB 4.46Å; L114-L117 HydrophobicContact CD2-CD2 3.9Å; L114-L117 CarbonylContact O-C 3.58Å; L114-L117 WeakPolarHBondContact O-CA 3.42Å; L114-L117 WeakPolarHBondContact O-CB 3.5Å; L114-L117 PolarHBondContact O-N 3.49Å; N115-L117 VanDerWaalsContact C-N 3.28Å; N115-L117 PolarHBondContact O-N 2.98Å; L117-W120 WeakPolarHBondContact O-CB 3.5Å; L117-W120 PolarHBondContact O-N 3.02Å; L117-M121 HydrophobicContact CG-SD 4.21Å; L117-M121 VanDerWaalsContact O-CG 3.25Å; L117-M121 WeakPolarHBondContact O-CG 3.4Å; L117-M121 PolarHBondContact O-N 3.26Å
118	S	41.2	Very low	44.8	Very low	20 Å²	20	95 Å²	95	14%	0.14	45%	0.453	C	S	.	.	H	α-helix	trans	-58.3	-48.1	173.6	-168.6	0	0	0	0	112.3	Y66 L114 N115 W120 M121 H122	Y66-S118 VanDerWaalsContact CE2-CB 3.48Å; Y66-S118 VanDerWaalsContact CZ-CB 3.44Å; Y66-S118 VanDerWaalsContact CZ-OG 3.28Å; Y66-S118 WeakPolarHBondContact OH-CB 3.4Å; Y66-S118 PolarHBondContact OH-OG 3.45Å; L114-S118 PolarHBondContact O-N 3.37Å; N115-S118 WeakPolarHBondContact O-CB 3.12Å; N115-S118 PolarHBondContact O-N 2.96Å; S118-W120 VanDerWaalsContact C-N 3.25Å; S118-W120 PolarHBondContact O-N 3.44Å; S118-M121 WeakPolarHBondContact O-CA 3.38Å; S118-M121 WeakPolarHBondContact O-CB 3.4Å; S118-M121 PolarHBondContact O-N 2.84Å; S118-H122 PolarHBondContact O-N 3.23Å
119	N	47.8	Very low	44.2	Very low	109 Å²	109	96.3 Å²	96.3	58%	0.583	46%	0.462	S	S	*	.	H	α-helix	trans	-57.4	-40.7	177.3	-76.7	-25.7	0	0	0	111.5	N115 M121 M123	N115-N119 PolarHBondContact O-N 3.02Å; N119-M121 PolarHBondContact O-N 3.25Å; N119-M123 WeakPolarHBondContact O-CG 3.5Å; N119-M123 PolarHBondContact O-N 3.44Å
120	W	45.1	Very low	43.6	Very low	129 Å²	129	97 Å²	97	49%	0.489	46%	0.459	S	S	.	.	H	α-helix	trans	-63.7	-38.2	174.6	-176.7	92.7	0	0	0	113	E116 L117 S118	E116-W120 PolarHBondContact O-N 2.9Å; L117-W120 WeakPolarHBondContact O-CB 3.5Å; L117-W120 PolarHBondContact O-N 3.02Å; S118-W120 VanDerWaalsContact C-N 3.25Å; S118-W120 PolarHBondContact O-N 3.44Å
121	M	43.8	Very low	43.1	Very low	19 Å²	19	97.2 Å²	97.2	9%	0.094	45%	0.453	C	S	.	.	H	α-helix	trans	-73.4	-37.3	179.3	-66.8	172.1	68.4	0	0	112.4	L63 Y66 L117 S118 N119 M123 R124	L63-M121 HydrophobicContact CD2-CE 3.11Å; L63-M121 HydrophobicContact CG-CE 3.52Å; Y66-M121 HydrophobicContact CG-SD 4.38Å; L117-M121 HydrophobicContact CG-SD 4.21Å; L117-M121 VanDerWaalsContact O-CG 3.25Å; L117-M121 WeakPolarHBondContact O-CG 3.4Å; L117-M121 PolarHBondContact O-N 3.26Å; S118-M121 WeakPolarHBondContact O-CA 3.38Å; S118-M121 WeakPolarHBondContact O-CB 3.4Å; S118-M121 PolarHBondContact O-N 2.84Å; N119-M121 PolarHBondContact O-N 3.25Å; M121-M123 VanDerWaalsContact C-N 3.33Å; M121-M123 PolarHBondContact O-N 3.47Å; M121-R124 PolarHBondContact O-N 3.32Å
122	H	44.3	Very low	43	Very low	158 Å²	158	97.5 Å²	97.5	73%	0.731	46%	0.457	S	S	*	.	H	α-helix	trans	-62.1	-41.1	175.2	-140.1	94.5	0	0	0	111.3	S118 R124 H125	S118-H122 PolarHBondContact O-N 3.23Å; H122-R124 PolarHBondContact O-N 2.9Å; H122-R124 VanDerWaalsContact O-N 3.08Å; H122-H125 PolarHBondContact O-N 2.97Å
123	M	43.8	Very low	42.6	Very low	142 Å²	142	98.7 Å²	98.7	70%	0.7	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-16	173	-75.3	-167.8	-72.9	0	0	114.1	N119 M121	N119-M123 WeakPolarHBondContact O-CG 3.5Å; N119-M123 PolarHBondContact O-N 3.44Å; M121-M123 VanDerWaalsContact C-N 3.33Å; M121-M123 PolarHBondContact O-N 3.47Å
124	R	41.3	Very low	42.4	Very low	168 Å²	168	94.1 Å²	94.1	63%	0.634	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	6.3	-176.1	-70.5	-72.3	-173.1	171.6	-2.3	114.3	M121 H122 V126	M121-R124 PolarHBondContact O-N 3.32Å; H122-R124 PolarHBondContact O-N 2.9Å; H122-R124 VanDerWaalsContact O-N 3.08Å; R124-V126 HydrophobicContact CB-CG2 4.24Å; R124-V126 WeakPolarHBondContact O-CG2 3.36Å; R124-V126 PolarHBondContact O-N 2.93Å
125	H	39.9	Very low	42.1	Very low	151 Å²	151	98.2 Å²	98.2	70%	0.699	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	44.9	176.8	-70.6	-79.3	0	0	0	115.1	H122	H122-H125 PolarHBondContact O-N 2.97Å
126	V	36.9	Very low	41.8	Very low	58 Å²	58	100.3 Å²	100.3	35%	0.352	46%	0.461	S	S	.	.			trans	-106.1	117.6	-180	-169.2	0	0	0	0	112.3	Y59 R124 I128	Y59-V126 HydrophobicContact CE1-CB 4.41Å; Y59-V126 HydrophobicContact CE1-CG1 3.53Å; Y59-V126 HydrophobicContact CE1-CG2 4.48Å; Y59-V126 HydrophobicContact CE2-CG2 4.49Å; Y59-V126 VanDerWaalsContact CZ-CG1 3.48Å; Y59-V126 WeakPolarHBondContact OH-CB 3.45Å; Y59-V126 WeakPolarHBondContact OH-CG1 3.3Å; Y59-V126 WeakPolarHBondContact OH-CG2 3.42Å; R124-V126 HydrophobicContact CB-CG2 4.24Å; R124-V126 WeakPolarHBondContact O-CG2 3.36Å; R124-V126 PolarHBondContact O-N 2.93Å; V126-I128 HydrophobicContact CG1-CD1 4.08Å; V126-I128 HydrophobicContact CG1-CG1 3.98Å
127	Y	35.6	Very low	41.8	Very low	203 Å²	203	93.5 Å²	93.5	80%	0.796	43%	0.429	S	S	*	.			trans	-101.6	103.3	177.5	-64.3	-85.3	0	0	0	110
128	I	39	Very low	42	Very low	75 Å²	75	97 Å²	97	39%	0.385	44%	0.439	S	S	.	.			trans	-140.7	130.4	173.6	-63.5	-172.5	0	0	0	109.8	Y59 L63 V126	Y59-I128 HydrophobicContact CE1-CD1 4Å; L63-I128 HydrophobicContact CD1-CB 3.97Å; L63-I128 HydrophobicContact CD1-CD1 3.66Å; L63-I128 HydrophobicContact CD1-CG1 4.19Å; L63-I128 HydrophobicContact CD1-CG2 4.23Å; L63-I128 HydrophobicContact CD2-CB 4.27Å; V126-I128 HydrophobicContact CG1-CD1 4.08Å; V126-I128 HydrophobicContact CG1-CG1 3.98Å
129	N	37.6	Very low	42.2	Very low	97 Å²	97	104.6 Å²	104.6	52%	0.519	47%	0.465	S	S	.	.			trans	-97.1	120.9	-173.7	-66.7	-33.6	0	0	0	112.1	Y34	Y34-N129 HydrophobicContact CE1-CB 4.34Å
130	Y	42.4	Very low	42.3	Very low	102 Å²	102	100.4 Å²	100.4	40%	0.4	44%	0.443	S	S	.	.			trans	29.8	139.3	157.8	-57.4	-80.9	0	0	0	126	M67	M67-Y130 HydrophobicContact CB-CD1 4.05Å; M67-Y130 HydrophobicContact CG-CD1 4.35Å; M67-Y130 WeakPolarHBondContact SD-CA 3.45Å; M67-Y130 PolarHBondContact SD-N 3.47Å
131	F	38.6	Very low	42.5	Very low	48 Å²	48	94.7 Å²	94.7	21%	0.211	42%	0.422	C	S	.	.			trans	-155.4	115.3	155.9	-169.6	-103.6	0	0	0	115.9	I31 S35 I64	I31-F131 HydrophobicContact CG2-CD2 3.86Å; I31-F131 HydrophobicContact CG2-CE2 3.94Å; S35-F131 WeakPolarHBondContact OG-CE2 3.41Å; I64-F131 HydrophobicContact CG2-CD1 4.41Å
132	N	46.1	Very low	42.8	Very low	40 Å²	40	95.7 Å²	95.7	21%	0.214	43%	0.431	C	S	.	.			trans	59.5	129.9	130.8	-138.3	-6.7	0	0	0	126.2	I31 H68 D134	I31-N132 HydrophobicContact CG2-CB 3.35Å; I31-N132 WeakPolarHBondContact CG2-ND2 3.43Å; H68-N132 PolarHBondContact ND1-O 3.35Å; N132-D134 PolarHBondContact OD1-N 3.47Å
133	Y	42.4	Very low	43.1	Very low	132 Å²	132	93 Å²	93	52%	0.518	42%	0.418	S	S	.	.				-166.3	92.9	109.1	-144.1	-93.3	0	0	0	116.2	L135	Y133-L135 HydrophobicContact CD1-CB 4.07Å; Y133-L135 HydrophobicContact CE1-CB 3.67Å
134	D	43.7	Very low	43.5	Very low	12 Å²	12	88 Å²	88	6%	0.064	39%	0.394	C	S	.	.			trans	-85.5	0	-177.2	-80.1	-32	0	0	0	117.1	L24 T28 N132 Y138	L24-D134 WeakPolarHBondContact CD2-OD1 3.39Å; T28-D134 WeakPolarHBondContact CA-OD2 3.48Å; T28-D134 PolarHBondContact N-OD2 3.16Å; T28-D134 WeakPolarHBondContact OG1-CB 3.17Å; T28-D134 PolarHBondContact OG1-OD2 2.86Å; N132-D134 PolarHBondContact OD1-N 3.47Å; D134-Y138 WeakPolarHBondContact O-CB 3.28Å; D134-Y138 PolarHBondContact O-N 2.92Å; D134-Y138 VanDerWaalsContact O-N 3.09Å
135	L	39.2	Very low	44	Very low	126 Å²	126	84 Å²	84	66%	0.66	38%	0.38	S	S	*	.	H	α-helix	trans	-74.5	-32.7	-170.5	-147.8	85.5	0	0	0	114.1	Y133 R139	Y133-L135 HydrophobicContact CD1-CB 4.07Å; Y133-L135 HydrophobicContact CE1-CB 3.67Å; L135-R139 PolarHBondContact O-N 3.42Å
136	F	41	Very low	45	Very low	108 Å²	108	82.1 Å²	82.1	47%	0.474	37%	0.37	S	S	.	.	H	α-helix	trans	-76.2	-44.4	179	-175.2	-101.3	0	0	0	110.9	L100 Y138 R139 V140	L100-F136 HydrophobicContact CD2-CE1 3.82Å; L100-F136 HydrophobicContact CD2-CZ 3.83Å; F136-Y138 PolarHBondContact O-N 3.44Å; F136-R139 WeakPolarHBondContact O-CB 3.12Å; F136-R139 PolarHBondContact O-N 3.01Å; F136-R139 VanDerWaalsContact O-N 3.15Å; F136-V140 HydrophobicContact CD1-CG2 4.18Å; F136-V140 HydrophobicContact CE1-CG2 3.87Å; F136-V140 HydrophobicContact CZ-CG2 4.16Å; F136-V140 WeakPolarHBondContact O-CG2 3.23Å; F136-V140 PolarHBondContact O-N 2.85Å
137	T	46.3	Very low	45.6	Very low	7 Å²	7	82.7 Å²	82.7	4%	0.043	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-46.5	176.5	-59.2	0	0	0	0	112.4	L24 L75 L79 R139 V140 L141	L24-T137 HydrophobicContact CD1-CG2 3.46Å; L24-T137 VanDerWaalsContact CD1-CG2 3.46Å; L24-T137 HydrophobicContact CD2-CG2 3.76Å; L24-T137 HydrophobicContact CG-CG2 4.26Å; L75-T137 HydrophobicContact CD2-CG2 4.13Å; L75-T137 HydrophobicContact CG-CG2 4.4Å; L79-T137 HydrophobicContact CD1-CG2 3.33Å; L79-T137 HydrophobicContact CD2-CG2 3.77Å; L79-T137 HydrophobicContact CG-CG2 4.06Å; T137-R139 PolarHBondContact O-N 2.8Å; T137-V140 PolarHBondContact O-N 2.86Å; T137-L141 HydrophobicContact CG2-CD1 4.11Å; T137-L141 PolarHBondContact O-N 3.37Å
138	Y	45.1	Very low	46.2	Very low	133 Å²	133	74 Å²	74	52%	0.522	35%	0.349	S	S	.	.	H	α-helix	trans	-57.6	-39.3	175.6	-177.8	-95.4	0	0	0	112.2	D134 F136 S142	D134-Y138 WeakPolarHBondContact O-CB 3.28Å; D134-Y138 PolarHBondContact O-N 2.92Å; D134-Y138 VanDerWaalsContact O-N 3.09Å; F136-Y138 PolarHBondContact O-N 3.44Å; Y138-S142 WeakPolarHBondContact O-CB 3.39Å; Y138-S142 PolarHBondContact O-N 3.47Å
139	R	47.3	Very low	46.7	Very low	179 Å²	179	72.6 Å²	72.6	68%	0.675	35%	0.346	S	S	*	.	H	α-helix	trans	-68.4	-44.1	178.8	-166.6	175.1	-175.5	177.9	1.1	111.5	L135 F136 T137 S142 E143	L135-R139 PolarHBondContact O-N 3.42Å; F136-R139 WeakPolarHBondContact O-CB 3.12Å; F136-R139 PolarHBondContact O-N 3.01Å; F136-R139 VanDerWaalsContact O-N 3.15Å; T137-R139 PolarHBondContact O-N 2.8Å; R139-S142 PolarHBondContact O-N 2.99Å; R139-E143 WeakPolarHBondContact O-CG 3.22Å; R139-E143 PolarHBondContact O-N 3.48Å
140	V	49.1	Very low	47.3	Very low	22 Å²	22	74.1 Å²	74.1	13%	0.133	36%	0.364	C	S	.	.	H	α-helix	trans	-61.1	-49	177.6	171.9	0	0	0	0	110.8	L100 F136 T137 S142 E143 L144	L100-V140 HydrophobicContact CD1-CG1 3.86Å; L100-V140 HydrophobicContact CD1-CG2 4.38Å; L100-V140 HydrophobicContact CD2-CG2 3.94Å; F136-V140 HydrophobicContact CD1-CG2 4.18Å; F136-V140 HydrophobicContact CE1-CG2 3.87Å; F136-V140 HydrophobicContact CZ-CG2 4.16Å; F136-V140 WeakPolarHBondContact O-CG2 3.23Å; F136-V140 PolarHBondContact O-N 2.85Å; T137-V140 PolarHBondContact O-N 2.86Å; V140-S142 PolarHBondContact O-N 3.32Å; V140-E143 PolarHBondContact O-N 2.87Å; V140-L144 WeakPolarHBondContact O-CB 3.27Å; V140-L144 PolarHBondContact O-N 3Å
141	L	48.8	Very low	47.5	Very low	9 Å²	9	72.7 Å²	72.7	5%	0.047	36%	0.362	C	S	.	.	H	α-helix	trans	-67.5	-35.4	179.5	-71.2	175	0	0	0	113.2	V20 L24 L79 T137 E143 L144 Y145	V20-L141 HydrophobicContact CG1-CD1 3.7Å; V20-L141 HydrophobicContact CG1-CD2 4.3Å; L24-L141 HydrophobicContact CD1-CD1 3.05Å; L24-L141 HydrophobicContact CD1-CG 4.43Å; L79-L141 HydrophobicContact CD2-CD1 3.81Å; L79-L141 HydrophobicContact CD2-CD2 3.69Å; L79-L141 HydrophobicContact CD2-CG 3.8Å; T137-L141 HydrophobicContact CG2-CD1 4.11Å; T137-L141 PolarHBondContact O-N 3.37Å; L141-E143 VanDerWaalsContact C-N 3.34Å; L141-L144 PolarHBondContact O-N 3Å; L141-Y145 WeakPolarHBondContact O-CB 3.48Å; L141-Y145 PolarHBondContact O-N 3.45Å
142	S	49.8	Very low	48	Very low	39 Å²	39	74 Å²	74	27%	0.273	37%	0.37	S	S	.	.	H	α-helix	trans	-63	-42.1	174.4	-174.9	0	0	0	0	111.5	Y138 R139 V140 K146	Y138-S142 WeakPolarHBondContact O-CB 3.39Å; Y138-S142 PolarHBondContact O-N 3.47Å; R139-S142 PolarHBondContact O-N 2.99Å; V140-S142 PolarHBondContact O-N 3.32Å; S142-K146 VanDerWaalsContact O-CG 3.27Å; S142-K146 WeakPolarHBondContact O-CG 3.5Å; S142-K146 PolarHBondContact O-N 3.02Å
143	E	52	Low	48.1	Very low	101 Å²	101	75.9 Å²	75.9	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-69.7	-40.3	175.8	-67.4	-58.2	128.8	0	0	112.1	R139 V140 L141 K146 A147	R139-E143 WeakPolarHBondContact O-CG 3.22Å; R139-E143 PolarHBondContact O-N 3.48Å; V140-E143 PolarHBondContact O-N 2.87Å; L141-E143 VanDerWaalsContact C-N 3.34Å; E143-K146 PolarHBondContact O-N 3.19Å; E143-K146 IonicContact OE1-NZ 3.38Å; E143-K146 PolarHBondContact OE1-NZ 3.47Å; E143-A147 PolarHBondContact O-N 3.1Å
144	L	52.3	Low	48.4	Very low	37 Å²	37	72.6 Å²	72.6	19%	0.194	37%	0.37	C	S	.	.	H	α-helix	trans	-62.6	-45.1	174.6	-129.5	98.9	0	0	0	111.4	I17 V83 I86 V140 L141 K146 A147 V148	I17-L144 HydrophobicContact CD1-CD2 4.41Å; V83-L144 HydrophobicContact CG2-CD1 4.43Å; I86-L144 HydrophobicContact CD1-CD2 3.38Å; V140-L144 WeakPolarHBondContact O-CB 3.27Å; V140-L144 PolarHBondContact O-N 3Å; L141-L144 PolarHBondContact O-N 3Å; L144-K146 VanDerWaalsContact C-N 3.32Å; L144-K146 PolarHBondContact O-N 3.19Å; L144-A147 PolarHBondContact O-N 3.49Å; L144-V148 WeakPolarHBondContact O-CG2 3.13Å; L144-V148 PolarHBondContact O-N 3.15Å
145	Y	51.6	Low	48.7	Very low	86 Å²	86	76.4 Å²	76.4	34%	0.337	39%	0.389	S	S	.	.	H	α-helix	trans	-58.2	-44.5	176.8	-179.5	-96.2	0	0	0	111.3	I14 I17 K18 L141 S149	I14-Y145 HydrophobicContact CG2-CE2 4.18Å; I17-Y145 HydrophobicContact CG2-CD2 3.83Å; I17-Y145 HydrophobicContact CG2-CG 4.36Å; K18-Y145 HydrophobicContact CG-CE2 4.24Å; L141-Y145 WeakPolarHBondContact O-CB 3.48Å; L141-Y145 PolarHBondContact O-N 3.45Å; Y145-S149 WeakPolarHBondContact O-CB 3.36Å; Y145-S149 PolarHBondContact O-N 3.41Å; Y145-S149 PolarHBondContact O-OG 3.49Å
146	K	59.6	Low	49.3	Very low	111 Å²	111	73.1 Å²	73.1	48%	0.483	37%	0.371	S	S	.	.	H	α-helix	trans	-60.6	-47.9	175.5	-72.6	170.2	-167.7	171.6	0	111.6	S142 E143 L144 V148 S149 S150	S142-K146 VanDerWaalsContact O-CG 3.27Å; S142-K146 WeakPolarHBondContact O-CG 3.5Å; S142-K146 PolarHBondContact O-N 3.02Å; E143-K146 PolarHBondContact O-N 3.19Å; E143-K146 IonicContact OE1-NZ 3.38Å; E143-K146 PolarHBondContact OE1-NZ 3.47Å; L144-K146 VanDerWaalsContact C-N 3.32Å; L144-K146 PolarHBondContact O-N 3.19Å; K146-V148 VanDerWaalsContact C-N 3.34Å; K146-V148 PolarHBondContact O-N 3.05Å; K146-S149 PolarHBondContact O-N 3.32Å; K146-S150 PolarHBondContact O-N 2.93Å; K146-S150 PolarHBondContact O-OG 3.42Å
147	A	50.9	Low	49.9	Very low	70 Å²	70	70.6 Å²	70.6	58%	0.579	36%	0.364	S	S	*	.	H	α-helix	trans	-62.6	-39	-178.2	0	0	0	0	0	112.7	E143 L144 S150	E143-A147 PolarHBondContact O-N 3.1Å; L144-A147 PolarHBondContact O-N 3.49Å; A147-S150 PolarHBondContact O-OG 2.97Å; A147-S150 VanDerWaalsContact O-OG 3.04Å
148	V	48.3	Very low	50.2	Low	20 Å²	20	75.5 Å²	75.5	12%	0.121	39%	0.389	C	S	.	.	H	α-helix	trans	-79.4	-28.4	177.9	-179.7	0	0	0	0	111.9	K10 I13 I14 I17 L144 K146	K10-V148 WeakPolarHBondContact CE-O 3.35Å; K10-V148 PolarHBondContact NZ-O 3.26Å; I13-V148 HydrophobicContact CB-CG1 4.44Å; I13-V148 HydrophobicContact CG2-CG1 3.81Å; I13-V148 HydrophobicContact CG2-CG2 4.38Å; I14-V148 HydrophobicContact CG1-CG1 4.24Å; I17-V148 HydrophobicContact CD1-CB 4.28Å; I17-V148 HydrophobicContact CD1-CG2 4.12Å; L144-V148 WeakPolarHBondContact O-CG2 3.13Å; L144-V148 PolarHBondContact O-N 3.15Å; K146-V148 VanDerWaalsContact C-N 3.34Å; K146-V148 PolarHBondContact O-N 3.05Å
149	S	48.8	Very low	50.6	Low	46 Å²	46	70.7 Å²	70.7	32%	0.322	38%	0.378	S	S	.	.	H	α-helix	trans	-81.8	-26.1	-178.1	-60	0	0	0	0	114.1	Y145 K146	Y145-S149 WeakPolarHBondContact O-CB 3.36Å; Y145-S149 PolarHBondContact O-N 3.41Å; Y145-S149 PolarHBondContact O-OG 3.49Å; K146-S149 PolarHBondContact O-N 3.32Å
150	S	49.2	Very low	50.9	Low	128 Å²	128	60.8 Å²	60.8	90%	0.895	35%	0.35	S	S	*	.			trans	-64.6	0	170.6	49.5	0	0	0	0	113.2	K10 K146 A147	K10-S150 PolarHBondContact NZ-OXT 2.78Å; K146-S150 PolarHBondContact O-N 2.93Å; K146-S150 PolarHBondContact O-OG 3.42Å; A147-S150 PolarHBondContact O-OG 2.97Å; A147-S150 VanDerWaalsContact O-OG 3.04Å

Retrieved 150 of 150 residues in 287.4 ms (Link to these results)

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