1433I_PLAF7 Loading...

14-3-3 protein I

Adapter protein which binds to its partners, usually via a phosphoserine or phosphothreonine motif^1,2,3. Binding generally results in the modulation of the activity and/or cellular localization of the binding partner (Probable). Via its interaction with CDPK1 and PKAr, involved in merozoite microneme secretion and thus in merozoite invasion of host erythrocytes⁴.

AlphaFold DB , UniProt , Accession C0H4V6, Species PLAF7 (Plasmodium falciparum (isolate 3D7)), Gene 14-3-3I, Length 262 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	66.6	Low	87.4	Confident	240 Å²	240	94.5 Å²	94.5	100%	1.182	49%	0.491	S	S	*	.				0	134.4	0	-72.4	178.1	179.5	0	0	106.7
2	A	77.3	Confident	88.1	Confident	57 Å²	57	93 Å²	93	47%	0.471	49%	0.493	S	S	.	.			trans	-60.1	143.6	173.5	0	0	0	0	0	109.7	E6 L7	A2-E6 VanDerWaalsContact CA-OE2 3.25Å; A2-E6 WeakPolarHBondContact CA-OE2 3.27Å; A2-E6 HydrophobicContact CB-CB 4.17Å; A2-L7 HydrophobicContact CB-CD2 3.96Å; A2-L7 HydrophobicContact CB-CG 4.06Å
3	T	85.2	Confident	88.8	Confident	74 Å²	74	90.3 Å²	90.3	45%	0.454	48%	0.479	S	S	.	.			trans	-68.9	159.3	173.9	66.8	0	0	0	0	110.4	E5 E6 L7	T3-E5 PolarHBondContact O-N 3.3Å; T3-E6 PolarHBondContact N-OE2 2.85Å; T3-E6 PolarHBondContact O-N 3.27Å; T3-E6 WeakPolarHBondContact OG1-CB 3.47Å; T3-E6 VanDerWaalsContact OG1-CG 3.23Å; T3-E6 WeakPolarHBondContact OG1-CG 3.38Å; T3-E6 PolarHBondContact OG1-N 2.91Å; T3-E6 VanDerWaalsContact OG1-N 3.16Å; T3-E6 PolarHBondContact OG1-OE2 2.96Å; T3-L7 PolarHBondContact O-N 3.08Å
4	S	85.7	Confident	89.5	Confident	85 Å²	85	84 Å²	84	59%	0.594	45%	0.446	S	S	*	.	H	α-helix	trans	-56.9	-33.1	175.2	178.4	0	0	0	0	112.2	K8	S4-K8 WeakPolarHBondContact O-CG 3.35Å; S4-K8 PolarHBondContact O-N 2.98Å; S4-K8 VanDerWaalsContact O-N 3.13Å
5	E	88.2	Confident	90.1	Very high	122 Å²	122	79.4 Å²	79.4	57%	0.57	42%	0.422	S	S	*	.	H	α-helix	trans	-73.1	-41.1	178.2	-164.4	58.4	-152.1	0	0	112.1	T3 L7 K8 Q9	T3-E5 PolarHBondContact O-N 3.3Å; E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.13Å; E5-K8 PolarHBondContact O-N 3.4Å; E5-Q9 PolarHBondContact O-N 3.44Å
6	E	91.5	Very high	90.6	Very high	109 Å²	109	83.8 Å²	83.8	51%	0.509	43%	0.433	S	S	.	.	H	α-helix	trans	-60.8	-39.2	174.1	-74.2	166.7	159.8	0	0	111.8	A2 T3 L10	A2-E6 VanDerWaalsContact CA-OE2 3.25Å; A2-E6 WeakPolarHBondContact CA-OE2 3.27Å; A2-E6 HydrophobicContact CB-CB 4.17Å; T3-E6 PolarHBondContact N-OE2 2.85Å; T3-E6 PolarHBondContact O-N 3.27Å; T3-E6 WeakPolarHBondContact OG1-CB 3.47Å; T3-E6 VanDerWaalsContact OG1-CG 3.23Å; T3-E6 WeakPolarHBondContact OG1-CG 3.38Å; T3-E6 PolarHBondContact OG1-N 2.91Å; T3-E6 VanDerWaalsContact OG1-N 3.16Å; T3-E6 PolarHBondContact OG1-OE2 2.96Å; E6-L10 VanDerWaalsContact O-CB 3.28Å; E6-L10 WeakPolarHBondContact O-CB 3.45Å; E6-L10 PolarHBondContact O-N 3.29Å
7	L	90.4	Very high	91	Very high	45 Å²	45	87.9 Å²	87.9	24%	0.236	44%	0.441	C	S	.	.	H	α-helix	trans	-68.2	-38.8	176.3	-69.4	178.3	0	0	0	112.6	A2 T3 E5 L10 R11 Q40	A2-L7 HydrophobicContact CB-CD2 3.96Å; A2-L7 HydrophobicContact CB-CG 4.06Å; T3-L7 PolarHBondContact O-N 3.08Å; E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.13Å; L7-L10 PolarHBondContact O-N 3.36Å; L7-R11 WeakPolarHBondContact O-CB 3.47Å; L7-R11 PolarHBondContact O-N 2.96Å; L7-Q40 WeakPolarHBondContact CD2-O 3.47Å
8	K	91	Very high	91.4	Very high	121 Å²	121	83 Å²	83	53%	0.526	42%	0.417	S	S	.	.	H	α-helix	trans	-63.6	-46.4	174.3	-75.1	175.5	-175.4	175.6	0	111.4	S4 E5 L10 R11 C12	S4-K8 WeakPolarHBondContact O-CG 3.35Å; S4-K8 PolarHBondContact O-N 2.98Å; S4-K8 VanDerWaalsContact O-N 3.13Å; E5-K8 PolarHBondContact O-N 3.4Å; K8-L10 VanDerWaalsContact C-N 3.34Å; K8-L10 PolarHBondContact O-N 3.36Å; K8-R11 PolarHBondContact O-N 3.34Å; K8-C12 PolarHBondContact O-N 3.26Å; K8-C12 PolarHBondContact O-SG 2.81Å; K8-C12 VanDerWaalsContact O-SG 3.38Å
9	Q	94.7	Very high	91.8	Very high	103 Å²	103	82 Å²	82	48%	0.481	41%	0.409	S	S	.	.	H	α-helix	trans	-62.3	-43.6	177.1	-172.9	60	51.8	0	0	111.1	E5 R11 C12 D13	E5-Q9 PolarHBondContact O-N 3.44Å; Q9-R11 VanDerWaalsContact C-N 3.35Å; Q9-R11 PolarHBondContact O-N 3.04Å; Q9-C12 PolarHBondContact O-N 3.12Å; Q9-D13 PolarHBondContact NE2-OD1 3.39Å; Q9-D13 WeakPolarHBondContact O-CB 3.48Å; Q9-D13 VanDerWaalsContact O-CG 3.26Å; Q9-D13 PolarHBondContact O-N 2.86Å
10	L	95.1	Very high	92.1	Very high	40 Å²	40	81.9 Å²	81.9	21%	0.209	41%	0.409	C	S	.	.	H	α-helix	trans	-59.3	-44.3	175.8	178.3	65	0	0	0	112	E6 L7 K8 C12 D13 C14 T36 Q40	E6-L10 VanDerWaalsContact O-CB 3.28Å; E6-L10 WeakPolarHBondContact O-CB 3.45Å; E6-L10 PolarHBondContact O-N 3.29Å; L7-L10 PolarHBondContact O-N 3.36Å; K8-L10 VanDerWaalsContact C-N 3.34Å; K8-L10 PolarHBondContact O-N 3.36Å; L10-C12 PolarHBondContact O-N 3.4Å; L10-D13 PolarHBondContact O-N 3.48Å; L10-C14 WeakPolarHBondContact O-CB 3.3Å; L10-C14 PolarHBondContact O-N 2.92Å; L10-C14 PolarHBondContact O-SG 2.91Å; L10-T36 HydrophobicContact CD1-CG2 4.36Å; L10-Q40 HydrophobicContact CD2-CB 3.76Å; L10-Q40 HydrophobicContact CD2-CG 4.36Å
11	R	95.5	Very high	92.4	Very high	43 Å²	43	78.5 Å²	78.5	16%	0.162	40%	0.395	C	S	.	.	H	α-helix	trans	-59.7	-46.7	176.9	-170.2	169.4	-177.8	164.1	0.1	111.1	L7 K8 Q9 C14 T15 L37 C41 E48 E53	L7-R11 WeakPolarHBondContact O-CB 3.47Å; L7-R11 PolarHBondContact O-N 2.96Å; K8-R11 PolarHBondContact O-N 3.34Å; Q9-R11 VanDerWaalsContact C-N 3.35Å; Q9-R11 PolarHBondContact O-N 3.04Å; R11-C14 PolarHBondContact O-N 3.41Å; R11-T15 PolarHBondContact O-N 2.99Å; R11-T15 PolarHBondContact O-OG1 3.32Å; R11-L37 HydrophobicContact CG-CD1 3.97Å; R11-L37 HydrophobicContact CG-CG 4.05Å; R11-C41 HydrophobicContact CB-CB 4.17Å; R11-C41 HydrophobicContact CG-CB 4.31Å; R11-E48 PolarHBondContact NH2-O 3.28Å; R11-E53 WeakPolarHBondContact CG-OE1 3.42Å; R11-E53 IonicContact CZ-OE1 3.93Å; R11-E53 IonicContact CZ-OE2 3.51Å; R11-E53 IonicContact NE-OE1 3.93Å; R11-E53 PolarHBondContact NE-OE1 3.25Å; R11-E53 IonicContact NE-OE2 3.65Å; R11-E53 IonicContact NH2-OE1 3.72Å; R11-E53 PolarHBondContact NH2-OE1 2.77Å; R11-E53 IonicContact NH2-OE2 2.9Å; R11-E53 PolarHBondContact NH2-OE2 3.05Å
12	C	96.1	Very high	93.9	Very high	77 Å²	77	70.6 Å²	70.6	52%	0.52	36%	0.355	S	S	.	.	H	α-helix	trans	-60.8	-44.7	175	-69.7	0	0	0	0	112.4	K8 Q9 L10 T15 Y16	K8-C12 PolarHBondContact O-N 3.26Å; K8-C12 PolarHBondContact O-SG 2.81Å; K8-C12 VanDerWaalsContact O-SG 3.38Å; Q9-C12 PolarHBondContact O-N 3.12Å; L10-C12 PolarHBondContact O-N 3.4Å; C12-T15 PolarHBondContact O-N 3.05Å; C12-Y16 WeakPolarHBondContact O-CB 3.39Å; C12-Y16 PolarHBondContact O-N 3.48Å
13	D	97.6	Very high	94.9	Very high	58 Å²	58	75.6 Å²	75.6	31%	0.31	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-43.4	179.1	-74.3	-3.2	0	0	0	111.4	Q9 L10 Y16 R17	Q9-D13 PolarHBondContact NE2-OD1 3.39Å; Q9-D13 WeakPolarHBondContact O-CB 3.48Å; Q9-D13 VanDerWaalsContact O-CG 3.26Å; Q9-D13 PolarHBondContact O-N 2.86Å; L10-D13 PolarHBondContact O-N 3.48Å; D13-Y16 PolarHBondContact O-N 3.47Å; D13-R17 VanDerWaalsContact O-CB 3.3Å; D13-R17 WeakPolarHBondContact O-CB 3.42Å; D13-R17 WeakPolarHBondContact O-CG 3.47Å; D13-R17 PolarHBondContact O-N 3.02Å
14	C	98	Very high	95.5	Very high	2 Å²	2	75 Å²	75	1%	0.014	37%	0.37	C	S	.	.	H	α-helix	trans	-61.4	-49.3	175.2	-78.1	0	0	0	0	111.4	L10 R11 Y16 R17 S18 A33 L37	L10-C14 WeakPolarHBondContact O-CB 3.3Å; L10-C14 PolarHBondContact O-N 2.92Å; L10-C14 PolarHBondContact O-SG 2.91Å; R11-C14 PolarHBondContact O-N 3.41Å; C14-Y16 VanDerWaalsContact C-N 3.33Å; C14-Y16 PolarHBondContact O-N 2.82Å; C14-R17 PolarHBondContact O-N 3.18Å; C14-S18 WeakPolarHBondContact O-CB 3.38Å; C14-S18 PolarHBondContact O-N 3.4Å; C14-S18 PolarHBondContact O-OG 3.37Å; C14-A33 PolarHBondContact SG-O 3.5Å; C14-L37 HydrophobicContact CB-CB 3.76Å; C14-L37 HydrophobicContact CB-CD1 3.89Å; C14-L37 HydrophobicContact CB-CG 4.27Å
15	T	97.9	Very high	96.1	Very high	15 Å²	15	78 Å²	78	9%	0.092	38%	0.376	C	S	.	.	H	α-helix	trans	-60.1	-42.6	177.7	-63.7	0	0	0	0	111.7	R11 C12 S18 K19 L37 L56	R11-T15 PolarHBondContact O-N 2.99Å; R11-T15 PolarHBondContact O-OG1 3.32Å; C12-T15 PolarHBondContact O-N 3.05Å; T15-S18 PolarHBondContact O-N 3.44Å; T15-K19 HydrophobicContact CG2-CD 4.49Å; T15-K19 WeakPolarHBondContact O-CG 3.34Å; T15-K19 PolarHBondContact O-N 2.92Å; T15-K19 VanDerWaalsContact O-N 3.11Å; T15-L37 WeakPolarHBondContact OG1-CD1 3.41Å; T15-L56 HydrophobicContact CG2-CD1 3.84Å
16	Y	98.3	Very high	96.5	Very high	150 Å²	150	78.7 Å²	78.7	59%	0.588	37%	0.373	S	S	*	.	H	α-helix	trans	-66.6	-43.9	177.4	-176.3	-116.5	0	0	0	112.3	C12 D13 C14 S18 K19 L20	C12-Y16 WeakPolarHBondContact O-CB 3.39Å; C12-Y16 PolarHBondContact O-N 3.48Å; D13-Y16 PolarHBondContact O-N 3.47Å; C14-Y16 VanDerWaalsContact C-N 3.33Å; C14-Y16 PolarHBondContact O-N 2.82Å; Y16-S18 VanDerWaalsContact C-N 3.32Å; Y16-S18 PolarHBondContact O-N 2.99Å; Y16-K19 PolarHBondContact O-N 3.04Å; Y16-L20 HydrophobicContact CD1-CD1 3.99Å; Y16-L20 HydrophobicContact CE1-CD1 3.56Å; Y16-L20 HydrophobicContact CE1-CG 4.17Å; Y16-L20 HydrophobicContact CE2-CD2 4.49Å; Y16-L20 HydrophobicContact CE2-CG 4.44Å; Y16-L20 WeakPolarHBondContact O-CG 3.44Å; Y16-L20 PolarHBondContact O-N 3.08Å
17	R	98.2	Very high	96.9	Very high	153 Å²	153	76.1 Å²	76.1	58%	0.577	36%	0.359	S	S	*	.	H	α-helix	trans	-60	-41.6	174.4	-75.8	173.3	-173.4	-175.8	5.6	111.7	D13 C14 K19 L20 A21 A33	D13-R17 VanDerWaalsContact O-CB 3.3Å; D13-R17 WeakPolarHBondContact O-CB 3.42Å; D13-R17 WeakPolarHBondContact O-CG 3.47Å; D13-R17 PolarHBondContact O-N 3.02Å; C14-R17 PolarHBondContact O-N 3.18Å; R17-K19 VanDerWaalsContact C-N 3.34Å; R17-K19 PolarHBondContact O-N 3.28Å; R17-L20 PolarHBondContact O-N 3.28Å; R17-A21 VanDerWaalsContact O-CB 3.29Å; R17-A21 WeakPolarHBondContact O-CB 3.46Å; R17-A21 PolarHBondContact O-N 3.47Å; R17-A33 HydrophobicContact CB-CB 4.22Å
18	S	98.5	Very high	97.2	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-42.3	176.3	-63.5	0	0	0	0	111.9	C14 T15 Y16 A21 E22 A33 M34	C14-S18 WeakPolarHBondContact O-CB 3.38Å; C14-S18 PolarHBondContact O-N 3.4Å; C14-S18 PolarHBondContact O-OG 3.37Å; T15-S18 PolarHBondContact O-N 3.44Å; Y16-S18 VanDerWaalsContact C-N 3.32Å; Y16-S18 PolarHBondContact O-N 2.99Å; S18-A21 PolarHBondContact O-N 2.81Å; S18-E22 WeakPolarHBondContact O-CB 3.39Å; S18-E22 PolarHBondContact O-N 3.17Å; S18-A33 WeakPolarHBondContact OG-CB 3.45Å; S18-M34 VanDerWaalsContact OG-CG 3.31Å; S18-M34 WeakPolarHBondContact OG-CG 3.45Å; S18-M34 PolarHBondContact OG-SD 3.22Å
19	K	98.4	Very high	97.6	Very high	64 Å²	64	74.4 Å²	74.4	28%	0.278	35%	0.353	S	S	.	.	H	α-helix	trans	-65.1	-37.8	175.5	-69.5	172.2	-179.8	-179.6	0	112.8	T15 Y16 R17 Q23 E52 L56	T15-K19 HydrophobicContact CG2-CD 4.49Å; T15-K19 WeakPolarHBondContact O-CG 3.34Å; T15-K19 PolarHBondContact O-N 2.92Å; T15-K19 VanDerWaalsContact O-N 3.11Å; Y16-K19 PolarHBondContact O-N 3.04Å; R17-K19 VanDerWaalsContact C-N 3.34Å; R17-K19 PolarHBondContact O-N 3.28Å; K19-Q23 WeakPolarHBondContact O-CG 3.46Å; K19-Q23 PolarHBondContact O-N 3.41Å; K19-Q23 PolarHBondContact O-NE2 2.84Å; K19-E52 WeakPolarHBondContact CE-OE1 3.25Å; K19-E52 IonicContact NZ-OE1 3.96Å; K19-E52 PolarHBondContact NZ-OE1 3Å; K19-E52 IonicContact NZ-OE2 2.79Å; K19-E52 PolarHBondContact NZ-OE2 3.42Å; K19-E52 VanDerWaalsContact NZ-OE2 3.09Å; K19-L56 HydrophobicContact CG-CD1 4.31Å; K19-L56 HydrophobicContact CG-CD2 4.18Å
20	L	98.5	Very high	97.7	Very high	79 Å²	79	69.5 Å²	69.5	41%	0.414	33%	0.33	S	S	.	.	H	α-helix	trans	-67.5	-42.7	173.8	-69.9	177.5	0	0	0	111.7	Y16 R17 Q23 A24	Y16-L20 HydrophobicContact CD1-CD1 3.99Å; Y16-L20 HydrophobicContact CE1-CD1 3.56Å; Y16-L20 HydrophobicContact CE1-CG 4.17Å; Y16-L20 HydrophobicContact CE2-CD2 4.49Å; Y16-L20 HydrophobicContact CE2-CG 4.44Å; Y16-L20 WeakPolarHBondContact O-CG 3.44Å; Y16-L20 PolarHBondContact O-N 3.08Å; R17-L20 PolarHBondContact O-N 3.28Å; L20-Q23 PolarHBondContact O-N 3.47Å; L20-A24 WeakPolarHBondContact O-CB 3.39Å; L20-A24 PolarHBondContact O-N 3.24Å; L20-A24 VanDerWaalsContact O-N 3.13Å
21	A	98.4	Very high	97.9	Very high	12 Å²	12	67.9 Å²	67.9	10%	0.099	32%	0.323	C	S	.	.	H	α-helix	trans	-65.4	-39.6	178.8	0	0	0	0	0	111.6	R17 S18 A24 E25 R26 M30	R17-A21 VanDerWaalsContact O-CB 3.29Å; R17-A21 WeakPolarHBondContact O-CB 3.46Å; R17-A21 PolarHBondContact O-N 3.47Å; S18-A21 PolarHBondContact O-N 2.81Å; A21-A24 CarbonylContact O-C 3.43Å; A21-A24 PolarHBondContact O-N 3.44Å; A21-E25 PolarHBondContact O-N 2.93Å; A21-R26 HydrophobicContact CB-CB 4.28Å; A21-R26 PolarHBondContact O-N 3.24Å; A21-M30 HydrophobicContact CB-CB 3.8Å; A21-M30 HydrophobicContact CB-CG 4.29Å
22	E	98	Very high	98	Very high	74 Å²	74	70 Å²	70	35%	0.346	34%	0.337	S	S	.	.	H	α-helix	trans	-58.3	-48.8	173.2	-177.7	177.3	-161.1	0	0	111.7	S18 A24 E25 M30	S18-E22 WeakPolarHBondContact O-CB 3.39Å; S18-E22 PolarHBondContact O-N 3.17Å; E22-A24 PolarHBondContact O-N 3.25Å; E22-E25 PolarHBondContact O-N 2.92Å; E22-E25 VanDerWaalsContact O-N 3.09Å; E22-M30 HydrophobicContact CB-CE 3.98Å; E22-M30 HydrophobicContact CB-SD 4.02Å; E22-M30 HydrophobicContact CG-CE 4.42Å
23	Q	97.6	Very high	98.1	Very high	162 Å²	162	66.9 Å²	66.9	76%	0.757	32%	0.317	S	S	*	.	H	α-helix	trans	-63.7	-25.3	177.2	-71.9	175.8	51.3	0	0	113.4	K19 L20	K19-Q23 WeakPolarHBondContact O-CG 3.46Å; K19-Q23 PolarHBondContact O-N 3.41Å; K19-Q23 PolarHBondContact O-NE2 2.84Å; L20-Q23 PolarHBondContact O-N 3.47Å
24	A	97.9	Very high	98.2	Very high	60 Å²	60	64.1 Å²	64.1	50%	0.496	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	4.4	177.8	0	0	0	0	0	113.4	L20 A21 E22 R26	L20-A24 WeakPolarHBondContact O-CB 3.39Å; L20-A24 PolarHBondContact O-N 3.24Å; L20-A24 VanDerWaalsContact O-N 3.13Å; A21-A24 CarbonylContact O-C 3.43Å; A21-A24 PolarHBondContact O-N 3.44Å; E22-A24 PolarHBondContact O-N 3.25Å; A24-R26 HydrophobicContact CB-CB 4.45Å; A24-R26 HydrophobicContact CB-CG 4.1Å; A24-R26 PolarHBondContact O-N 3.13Å; A24-R26 VanDerWaalsContact O-N 3.17Å
25	E	97.6	Very high	98.2	Very high	150 Å²	150	65.9 Å²	65.9	70%	0.701	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	30	-175	-57.2	-176.2	170	0	0	113.7	A21 E22 Y27	A21-E25 PolarHBondContact O-N 2.93Å; E22-E25 PolarHBondContact O-N 2.92Å; E22-E25 VanDerWaalsContact O-N 3.09Å; E25-Y27 HydrophobicContact CB-CE2 3.96Å; E25-Y27 HydrophobicContact CG-CE2 4.47Å; E25-Y27 WeakPolarHBondContact O-CD2 3.38Å; E25-Y27 PolarHBondContact O-N 2.84Å
26	R	98.3	Very high	98.1	Very high	135 Å²	135	67.2 Å²	67.2	51%	0.509	32%	0.317	S	S	.	.			trans	-95.8	64.7	-179.3	-75.6	-163.1	75.5	171.7	8.1	111.2	A21 A24 D28 E29 M30	A21-R26 HydrophobicContact CB-CB 4.28Å; A21-R26 PolarHBondContact O-N 3.24Å; A24-R26 HydrophobicContact CB-CB 4.45Å; A24-R26 HydrophobicContact CB-CG 4.1Å; A24-R26 PolarHBondContact O-N 3.13Å; A24-R26 VanDerWaalsContact O-N 3.17Å; R26-D28 VanDerWaalsContact C-N 3.32Å; R26-D28 PolarHBondContact O-N 2.96Å; R26-E29 HydrophobicContact CB-CB 4.46Å; R26-E29 VanDerWaalsContact CB-OE2 3.28Å; R26-E29 WeakPolarHBondContact CB-OE2 3.34Å; R26-E29 IonicContact CZ-OE1 3.63Å; R26-E29 VanDerWaalsContact CZ-OE1 3.3Å; R26-E29 IonicContact CZ-OE2 2.93Å; R26-E29 VanDerWaalsContact NE-CD 3.26Å; R26-E29 IonicContact NE-OE1 2.79Å; R26-E29 PolarHBondContact NE-OE1 3.17Å; R26-E29 IonicContact NE-OE2 2.63Å; R26-E29 PolarHBondContact NE-OE2 3.14Å; R26-E29 VanDerWaalsContact NH2-CD 3.31Å; R26-E29 IonicContact NH2-OE1 3.45Å; R26-E29 PolarHBondContact NH2-OE1 3.1Å; R26-E29 IonicContact NH2-OE2 3.79Å; R26-E29 PolarHBondContact O-N 3.34Å; R26-M30 PolarHBondContact O-N 3.02Å
27	Y	98.3	Very high	98.1	Very high	55 Å²	55	60.1 Å²	60.1	22%	0.216	29%	0.289	C	S	.	.	H	α-helix	trans	-69.7	-24.5	-169.3	-59.4	-67.6	0	0	0	114.8	E25 M30 A31 V59 N63	E25-Y27 HydrophobicContact CB-CE2 3.96Å; E25-Y27 HydrophobicContact CG-CE2 4.47Å; E25-Y27 WeakPolarHBondContact O-CD2 3.38Å; E25-Y27 PolarHBondContact O-N 2.84Å; Y27-M30 HydrophobicContact CD1-SD 4.02Å; Y27-M30 WeakPolarHBondContact O-CB 3.05Å; Y27-M30 PolarHBondContact O-N 3.35Å; Y27-A31 WeakPolarHBondContact O-CB 3.47Å; Y27-A31 PolarHBondContact O-N 3.02Å; Y27-V59 HydrophobicContact CE1-CG1 4.32Å; Y27-N63 HydrophobicContact CD1-CB 3.48Å; Y27-N63 VanDerWaalsContact CD1-CB 3.48Å; Y27-N63 HydrophobicContact CD2-CB 3.41Å; Y27-N63 VanDerWaalsContact CD2-CB 3.41Å; Y27-N63 HydrophobicContact CE1-CB 3.76Å; Y27-N63 HydrophobicContact CE2-CB 3.66Å; Y27-N63 HydrophobicContact CG-CB 3.29Å
28	D	98.2	Very high	98	Very high	54 Å²	54	52.8 Å²	52.8	29%	0.289	26%	0.261	S	S	.	.	H	α-helix	trans	-67.3	-46.5	173.6	-65.2	-36	0	0	0	110.2	R26 M30 A31 D32 R68	R26-D28 VanDerWaalsContact C-N 3.32Å; R26-D28 PolarHBondContact O-N 2.96Å; D28-M30 VanDerWaalsContact C-N 3.3Å; D28-M30 PolarHBondContact O-N 3.04Å; D28-A31 WeakPolarHBondContact O-CB 3.32Å; D28-A31 PolarHBondContact O-N 3.34Å; D28-A31 VanDerWaalsContact O-N 3.14Å; D28-D32 PolarHBondContact O-N 3.44Å; D28-R68 VanDerWaalsContact CG-NH1 3.29Å; D28-R68 IonicContact OD1-CZ 3.69Å; D28-R68 IonicContact OD1-NH1 3.43Å; D28-R68 PolarHBondContact OD1-NH1 2.79Å; D28-R68 IonicContact OD1-NH2 3.52Å; D28-R68 PolarHBondContact OD1-NH2 3.3Å; D28-R68 IonicContact OD2-CZ 3.05Å; D28-R68 VanDerWaalsContact OD2-CZ 3.3Å; D28-R68 IonicContact OD2-NH1 3.85Å; D28-R68 PolarHBondContact OD2-NH1 3.49Å; D28-R68 IonicContact OD2-NH2 2.82Å; D28-R68 PolarHBondContact OD2-NH2 2.72Å
29	E	98.1	Very high	97.8	Very high	76 Å²	76	57.2 Å²	57.2	36%	0.355	28%	0.282	S	S	.	.	H	α-helix	trans	-66.9	-33.3	175.1	-65.8	77.9	-178.5	0	0	112.3	R26 A31 D32 A33	R26-E29 HydrophobicContact CB-CB 4.46Å; R26-E29 VanDerWaalsContact CB-OE2 3.28Å; R26-E29 WeakPolarHBondContact CB-OE2 3.34Å; R26-E29 IonicContact CZ-OE1 3.63Å; R26-E29 VanDerWaalsContact CZ-OE1 3.3Å; R26-E29 IonicContact CZ-OE2 2.93Å; R26-E29 VanDerWaalsContact NE-CD 3.26Å; R26-E29 IonicContact NE-OE1 2.79Å; R26-E29 PolarHBondContact NE-OE1 3.17Å; R26-E29 IonicContact NE-OE2 2.63Å; R26-E29 PolarHBondContact NE-OE2 3.14Å; R26-E29 VanDerWaalsContact NH2-CD 3.31Å; R26-E29 IonicContact NH2-OE1 3.45Å; R26-E29 PolarHBondContact NH2-OE1 3.1Å; R26-E29 IonicContact NH2-OE2 3.79Å; R26-E29 PolarHBondContact O-N 3.34Å; E29-A31 VanDerWaalsContact C-N 3.33Å; E29-D32 PolarHBondContact O-N 3.42Å; E29-A33 WeakPolarHBondContact O-CB 3.19Å; E29-A33 PolarHBondContact O-N 3.15Å
30	M	98.4	Very high	97.5	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-43	171.6	-163	-171.2	178.5	0	0	110.8	A21 E22 R26 Y27 D28 A33 M34 L56 V59 A60	A21-M30 HydrophobicContact CB-CB 3.8Å; A21-M30 HydrophobicContact CB-CG 4.29Å; E22-M30 HydrophobicContact CB-CE 3.98Å; E22-M30 HydrophobicContact CB-SD 4.02Å; E22-M30 HydrophobicContact CG-CE 4.42Å; R26-M30 PolarHBondContact O-N 3.02Å; Y27-M30 HydrophobicContact CD1-SD 4.02Å; Y27-M30 WeakPolarHBondContact O-CB 3.05Å; Y27-M30 PolarHBondContact O-N 3.35Å; D28-M30 VanDerWaalsContact C-N 3.3Å; D28-M30 PolarHBondContact O-N 3.04Å; M30-A33 PolarHBondContact O-N 2.84Å; M30-M34 WeakPolarHBondContact O-CG 3.11Å; M30-M34 PolarHBondContact O-N 3.36Å; M30-L56 HydrophobicContact CE-CB 4.05Å; M30-L56 HydrophobicContact CE-CD2 3.52Å; M30-L56 HydrophobicContact CE-CG 4.41Å; M30-L56 WeakPolarHBondContact CE-O 3.38Å; M30-V59 HydrophobicContact CE-CB 4.11Å; M30-V59 HydrophobicContact CE-CG1 3.96Å; M30-V59 HydrophobicContact SD-CG1 4.13Å; M30-A60 HydrophobicContact CB-CB 3.85Å; M30-A60 HydrophobicContact CE-CB 4.28Å; M30-A60 HydrophobicContact CG-CB 3.57Å; M30-A60 VanDerWaalsContact SD-CA 3.56Å; M30-A60 HydrophobicContact SD-CB 3.64Å
31	A	98.5	Very high	97.1	Very high	6 Å²	6	55.6 Å²	55.6	5%	0.05	27%	0.274	C	S	.	.	H	α-helix	trans	-66.3	-40.4	178.3	0	0	0	0	0	111.3	Y27 D28 E29 M34 R35 A60 Y61	Y27-A31 WeakPolarHBondContact O-CB 3.47Å; Y27-A31 PolarHBondContact O-N 3.02Å; D28-A31 WeakPolarHBondContact O-CB 3.32Å; D28-A31 PolarHBondContact O-N 3.34Å; D28-A31 VanDerWaalsContact O-N 3.14Å; E29-A31 VanDerWaalsContact C-N 3.33Å; A31-M34 PolarHBondContact O-N 3.2Å; A31-R35 VanDerWaalsContact O-CB 3.25Å; A31-R35 WeakPolarHBondContact O-CB 3.47Å; A31-R35 PolarHBondContact O-N 3.04Å; A31-A60 HydrophobicContact CB-CB 4.22Å; A31-Y61 HydrophobicContact CB-CD1 4.33Å; A31-Y61 HydrophobicContact CB-CD2 4.16Å; A31-Y61 HydrophobicContact CB-CE1 4.17Å; A31-Y61 HydrophobicContact CB-CE2 3.99Å; A31-Y61 HydrophobicContact CB-CG 4.33Å
32	D	98.3	Very high	96.7	Very high	88 Å²	88	55.1 Å²	55.1	47%	0.471	27%	0.27	S	S	.	.	H	α-helix	trans	-64.5	-40.9	176.1	-73.3	-20.8	0	0	0	112.9	D28 E29 R35 T36	D28-D32 PolarHBondContact O-N 3.44Å; E29-D32 PolarHBondContact O-N 3.42Å; D32-R35 IonicContact OD1-NE 3.48Å; D32-T36 WeakPolarHBondContact O-CB 3.44Å; D32-T36 PolarHBondContact O-N 2.94Å; D32-T36 PolarHBondContact O-OG1 3.33Å
33	A	98.3	Very high	95.8	Very high	12 Å²	12	54.9 Å²	54.9	10%	0.099	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-46.2	175.2	0	0	0	0	0	111.5	C14 R17 S18 E29 M30 T36 L37	C14-A33 PolarHBondContact SG-O 3.5Å; R17-A33 HydrophobicContact CB-CB 4.22Å; S18-A33 WeakPolarHBondContact OG-CB 3.45Å; E29-A33 WeakPolarHBondContact O-CB 3.19Å; E29-A33 PolarHBondContact O-N 3.15Å; M30-A33 PolarHBondContact O-N 2.84Å; A33-T36 WeakPolarHBondContact O-CB 3.28Å; A33-T36 PolarHBondContact O-N 3.14Å; A33-L37 PolarHBondContact O-N 3.2Å
34	M	98.4	Very high	94.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.4	-35.4	178.6	-68.2	-51.5	-55.2	0	0	112.9	S18 M30 A31 L37 V38 E53 L56 L57	S18-M34 VanDerWaalsContact OG-CG 3.31Å; S18-M34 WeakPolarHBondContact OG-CG 3.45Å; S18-M34 PolarHBondContact OG-SD 3.22Å; M30-M34 WeakPolarHBondContact O-CG 3.11Å; M30-M34 PolarHBondContact O-N 3.36Å; A31-M34 PolarHBondContact O-N 3.2Å; M34-L37 HydrophobicContact CE-CD1 4.09Å; M34-L37 HydrophobicContact CE-CD2 4.48Å; M34-L37 WeakPolarHBondContact O-CB 3.35Å; M34-L37 PolarHBondContact O-N 3.21Å; M34-L37 HydrophobicContact SD-CD1 4.42Å; M34-V38 WeakPolarHBondContact O-CG2 3.45Å; M34-V38 PolarHBondContact O-N 3.44Å; M34-E53 HydrophobicContact CE-CB 4.16Å; M34-E53 VanDerWaalsContact CE-O 3.23Å; M34-E53 WeakPolarHBondContact CE-O 3.41Å; M34-L56 HydrophobicContact CE-CB 4.21Å; M34-L56 HydrophobicContact CG-CB 4.44Å; M34-L56 HydrophobicContact SD-CB 3.88Å; M34-L57 HydrophobicContact CB-CB 4.44Å; M34-L57 HydrophobicContact CB-CD1 3.69Å; M34-L57 HydrophobicContact CE-CB 4.05Å
35	R	97.9	Very high	92.7	Very high	39 Å²	39	56.5 Å²	56.5	15%	0.147	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-49.9	170.7	-178.7	-159.3	-54	-96.6	0.3	110.7	A31 D32 L37 V38 E39 Y61 D111 L115	A31-R35 VanDerWaalsContact O-CB 3.25Å; A31-R35 WeakPolarHBondContact O-CB 3.47Å; A31-R35 PolarHBondContact O-N 3.04Å; D32-R35 IonicContact OD1-NE 3.48Å; R35-L37 PolarHBondContact O-N 2.89Å; R35-V38 PolarHBondContact O-N 3.05Å; R35-V38 VanDerWaalsContact O-N 3.12Å; R35-E39 HydrophobicContact CG-CG 4.19Å; R35-E39 WeakPolarHBondContact O-CB 3.33Å; R35-E39 WeakPolarHBondContact O-CG 3.44Å; R35-E39 PolarHBondContact O-N 2.75Å; R35-Y61 PolarHBondContact NH2-OH 3.23Å; R35-D111 VanDerWaalsContact CZ-CG 3.44Å; R35-D111 IonicContact CZ-OD1 3.23Å; R35-D111 IonicContact CZ-OD2 3.32Å; R35-D111 IonicContact NH1-OD1 3.45Å; R35-D111 PolarHBondContact NH1-OD1 3.33Å; R35-D111 IonicContact NH1-OD2 2.97Å; R35-D111 PolarHBondContact NH1-OD2 3.43Å; R35-D111 VanDerWaalsContact NH2-CB 3.32Å; R35-D111 IonicContact NH2-OD1 2.72Å; R35-D111 IonicContact NH2-OD2 3.3Å; R35-D111 PolarHBondContact NH2-OD2 2.62Å; R35-L115 HydrophobicContact CB-CD1 4.17Å; R35-L115 HydrophobicContact CG-CD1 4.12Å; R35-L115 HydrophobicContact CG-CD2 4.17Å
36	T	97.2	Very high	91.3	Very high	43 Å²	43	58.4 Å²	58.4	26%	0.264	28%	0.283	S	S	.	.	H	α-helix	trans	-56.4	-42.9	178.2	-59.4	0	0	0	0	110.9	L10 D32 A33 E39 Q40	L10-T36 HydrophobicContact CD1-CG2 4.36Å; D32-T36 WeakPolarHBondContact O-CB 3.44Å; D32-T36 PolarHBondContact O-N 2.94Å; D32-T36 PolarHBondContact O-OG1 3.33Å; A33-T36 WeakPolarHBondContact O-CB 3.28Å; A33-T36 PolarHBondContact O-N 3.14Å; T36-E39 PolarHBondContact O-N 3.28Å; T36-Q40 HydrophobicContact CG2-CG 4.35Å; T36-Q40 WeakPolarHBondContact O-CB 3.27Å; T36-Q40 WeakPolarHBondContact O-CG 3.4Å; T36-Q40 PolarHBondContact O-N 3.07Å
37	L	96.4	Very high	90.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.1	-50.4	175.5	-172.8	157.1	0	0	0	111.6	R11 C14 T15 A33 M34 R35 C41 V42 L49 E53	R11-L37 HydrophobicContact CG-CD1 3.97Å; R11-L37 HydrophobicContact CG-CG 4.05Å; C14-L37 HydrophobicContact CB-CB 3.76Å; C14-L37 HydrophobicContact CB-CD1 3.89Å; C14-L37 HydrophobicContact CB-CG 4.27Å; T15-L37 WeakPolarHBondContact OG1-CD1 3.41Å; A33-L37 PolarHBondContact O-N 3.2Å; M34-L37 HydrophobicContact CE-CD1 4.09Å; M34-L37 HydrophobicContact CE-CD2 4.48Å; M34-L37 WeakPolarHBondContact O-CB 3.35Å; M34-L37 PolarHBondContact O-N 3.21Å; M34-L37 HydrophobicContact SD-CD1 4.42Å; R35-L37 PolarHBondContact O-N 2.89Å; L37-C41 WeakPolarHBondContact O-CA 3.47Å; L37-C41 WeakPolarHBondContact O-CB 3.49Å; L37-C41 PolarHBondContact O-N 2.92Å; L37-V42 HydrophobicContact CD2-CG2 4.41Å; L37-V42 PolarHBondContact O-N 3.12Å; L37-L49 HydrophobicContact CD2-CD2 3.36Å; L37-E53 HydrophobicContact CD1-CG 4.31Å
38	V	96.1	Very high	90.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67	-40.5	-179	176.3	0	0	0	0	111.7	M34 R35 V42 L49 L57 L115 K119 L120	M34-V38 WeakPolarHBondContact O-CG2 3.45Å; M34-V38 PolarHBondContact O-N 3.44Å; R35-V38 PolarHBondContact O-N 3.05Å; R35-V38 VanDerWaalsContact O-N 3.12Å; V38-V42 HydrophobicContact CG1-CB 4.48Å; V38-V42 WeakPolarHBondContact O-CB 3.49Å; V38-V42 PolarHBondContact O-N 2.64Å; V38-L49 HydrophobicContact CG2-CD1 4.11Å; V38-L49 HydrophobicContact CG2-CD2 4.25Å; V38-L57 HydrophobicContact CG2-CD2 4.45Å; V38-L115 HydrophobicContact CB-CD2 4.22Å; V38-L115 HydrophobicContact CG1-CB 4.3Å; V38-L115 HydrophobicContact CG1-CD2 3.94Å; V38-K119 HydrophobicContact CG1-CB 3.89Å; V38-K119 HydrophobicContact CG1-CG 4.4Å; V38-L120 HydrophobicContact CG1-CD1 4.46Å; V38-L120 HydrophobicContact CG1-CD2 3.87Å; V38-L120 HydrophobicContact CG1-CG 4.05Å; V38-L120 HydrophobicContact CG2-CD2 4.21Å
39	E	94.5	Very high	90.1	Very high	93 Å²	93	53.6 Å²	53.6	44%	0.435	27%	0.269	S	S	.	.	H	α-helix	trans	-71.3	-39.7	-176.7	-72.5	178.5	164.3	0	0	112.6	R35 T36 L115 K119	R35-E39 HydrophobicContact CG-CG 4.19Å; R35-E39 WeakPolarHBondContact O-CB 3.33Å; R35-E39 WeakPolarHBondContact O-CG 3.44Å; R35-E39 PolarHBondContact O-N 2.75Å; T36-E39 PolarHBondContact O-N 3.28Å; E39-L115 HydrophobicContact CG-CD2 3.69Å; E39-K119 PolarHBondContact O-NZ 3.36Å
40	Q	92.5	Very high	90	Very high	101 Å²	101	53.4 Å²	53.4	47%	0.472	27%	0.273	S	S	.	.	H	α-helix	trans	-98.6	-32	-172.2	-57.2	-165.5	20.5	0	0	113.8	L7 L10 T36	L7-Q40 WeakPolarHBondContact CD2-O 3.47Å; L10-Q40 HydrophobicContact CD2-CB 3.76Å; L10-Q40 HydrophobicContact CD2-CG 4.36Å; T36-Q40 HydrophobicContact CG2-CG 4.35Å; T36-Q40 WeakPolarHBondContact O-CB 3.27Å; T36-Q40 WeakPolarHBondContact O-CG 3.4Å; T36-Q40 PolarHBondContact O-N 3.07Å
41	C	91.3	Very high	89.8	Confident	7 Å²	7	57 Å²	57	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-105.6	-23.5	-172.9	-51.5	0	0	0	0	113.6	R11 L37	R11-C41 HydrophobicContact CB-CB 4.17Å; R11-C41 HydrophobicContact CG-CB 4.31Å; L37-C41 WeakPolarHBondContact O-CA 3.47Å; L37-C41 WeakPolarHBondContact O-CB 3.49Å; L37-C41 PolarHBondContact O-N 2.92Å
42	V	89.2	Confident	89.7	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.018	31%	0.314	C	S	.	.			trans	-91.5	106	176.2	173.8	0	0	0	0	109.6	L37 V38 D47 L49 K119 L120	L37-V42 HydrophobicContact CD2-CG2 4.41Å; L37-V42 PolarHBondContact O-N 3.12Å; V38-V42 HydrophobicContact CG1-CB 4.48Å; V38-V42 WeakPolarHBondContact O-CB 3.49Å; V38-V42 PolarHBondContact O-N 2.64Å; V42-D47 WeakPolarHBondContact CG1-O 3.34Å; V42-L49 HydrophobicContact CG2-CD2 3.58Å; V42-L49 HydrophobicContact CG2-CG 4.24Å; V42-K119 PolarHBondContact O-NZ 3.4Å; V42-L120 HydrophobicContact CG1-CD2 4.49Å
43	N	80.2	Confident	89.6	Confident	69 Å²	69	57.8 Å²	57.8	37%	0.369	29%	0.294	S	S	.	.			trans	-113.8	157.3	178.5	-68.2	-47.3	0	0	0	111.2	D45	N43-D45 PolarHBondContact O-N 3.32Å
44	N	67.6	Low	89.6	Confident	104 Å²	104	57.5 Å²	57.5	56%	0.556	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.3	-164.2	-65.8	-8.6	0	0	0	115.9	N123	N44-N123 WeakPolarHBondContact CA-OD1 3.4Å; N44-N123 PolarHBondContact OD1-ND2 3.16Å; N44-N123 PolarHBondContact OD1-OD1 3.23Å
45	D	62.1	Low	89.5	Confident	151 Å²	151	61 Å²	61	81%	0.807	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-27.5	-164.5	-75.2	-26.2	0	0	0	116	N43	N43-D45 PolarHBondContact O-N 3.32Å
46	K	68.3	Low	89.5	Confident	191 Å²	191	59.6 Å²	59.6	83%	0.83	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157.1	-9.9	-178.1	-66.5	-167.3	-179.9	179.2	0	117.6	E48	K46-E48 PolarHBondContact O-N 2.98Å
47	D	83.2	Confident	89.6	Confident	76 Å²	76	57.5 Å²	57.5	41%	0.406	29%	0.292	S	S	.	.			trans	-98.8	81.2	-169	-71.3	-48.2	0	0	0	111.3	V42	V42-D47 WeakPolarHBondContact CG1-O 3.34Å
48	E	91.5	Very high	89.7	Confident	56 Å²	56	58.9 Å²	58.9	26%	0.262	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-77.1	157.6	171.2	-61	-164.2	-149.9	0	0	111.4	R11 K46 T124 S125	R11-E48 PolarHBondContact NH2-O 3.28Å; K46-E48 PolarHBondContact O-N 2.98Å; E48-T124 WeakPolarHBondContact OE2-CA 3.31Å; E48-T124 WeakPolarHBondContact OE2-CB 3.36Å; E48-T124 PolarHBondContact OE2-OG1 2.72Å; E48-S125 WeakPolarHBondContact OE1-CB 3.4Å; E48-S125 PolarHBondContact OE1-N 3.29Å; E48-S125 PolarHBondContact OE1-OG 3.36Å; E48-S125 PolarHBondContact OE2-N 2.97Å
49	L	95.2	Very high	89.8	Confident	11 Å²	11	60.8 Å²	60.8	6%	0.058	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-69.1	137.3	168.9	-64.6	-174.7	0	0	0	109.8	L37 V38 V42 E53 R54 L57 L120	L37-L49 HydrophobicContact CD2-CD2 3.36Å; V38-L49 HydrophobicContact CG2-CD1 4.11Å; V38-L49 HydrophobicContact CG2-CD2 4.25Å; V42-L49 HydrophobicContact CG2-CD2 3.58Å; V42-L49 HydrophobicContact CG2-CG 4.24Å; L49-E53 HydrophobicContact CB-CB 4.21Å; L49-E53 HydrophobicContact CD2-CB 4.09Å; L49-R54 HydrophobicContact CB-CB 4.38Å; L49-L57 HydrophobicContact CD1-CD2 4.01Å; L49-L120 HydrophobicContact CD1-CD1 4.45Å; L49-L120 HydrophobicContact CD1-CD2 3.67Å; L49-L120 HydrophobicContact CG-CD2 3.88Å
50	T	94.7	Very high	90	Very high	72 Å²	72	56.4 Å²	56.4	44%	0.442	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-67.1	162.4	165.8	60.8	0	0	0	0	110.5	E52 E53 R54	T50-E52 PolarHBondContact O-N 3.48Å; T50-E53 WeakPolarHBondContact CB-OE2 3.42Å; T50-E53 WeakPolarHBondContact CG2-OE2 3.48Å; T50-E53 PolarHBondContact N-OE2 3.13Å; T50-E53 PolarHBondContact O-N 2.86Å; T50-E53 VanDerWaalsContact O-N 3.16Å; T50-E53 VanDerWaalsContact OG1-CD 3.26Å; T50-E53 VanDerWaalsContact OG1-CG 3.3Å; T50-E53 WeakPolarHBondContact OG1-CG 3.37Å; T50-E53 PolarHBondContact OG1-N 3.46Å; T50-E53 PolarHBondContact OG1-OE2 2.79Å; T50-R54 VanDerWaalsContact O-CB 3.31Å; T50-R54 WeakPolarHBondContact O-CB 3.33Å; T50-R54 PolarHBondContact O-N 3.25Å
51	V	94.3	Very high	90.3	Very high	75 Å²	75	51.6 Å²	51.6	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-54.3	-40.7	174.5	174.4	0	0	0	0	111.5	N55	V51-N55 WeakPolarHBondContact O-CB 3.28Å; V51-N55 PolarHBondContact O-N 3.31Å; V51-N55 PolarHBondContact O-ND2 3.45Å; V51-N55 PolarHBondContact O-OD1 3.23Å
52	E	96.5	Very high	90.6	Very high	98 Å²	98	57.5 Å²	57.5	46%	0.458	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-50.3	176.8	-178.1	175.3	-133.8	0	0	111.6	K19 T50 R54 N55 L56	K19-E52 WeakPolarHBondContact CE-OE1 3.25Å; K19-E52 IonicContact NZ-OE1 3.96Å; K19-E52 PolarHBondContact NZ-OE1 3Å; K19-E52 IonicContact NZ-OE2 2.79Å; K19-E52 PolarHBondContact NZ-OE2 3.42Å; K19-E52 VanDerWaalsContact NZ-OE2 3.09Å; T50-E52 PolarHBondContact O-N 3.48Å; E52-R54 PolarHBondContact O-N 3.18Å; E52-N55 PolarHBondContact O-N 2.85Å; E52-L56 HydrophobicContact CG-CD1 4.15Å; E52-L56 WeakPolarHBondContact O-CG 3.47Å; E52-L56 PolarHBondContact O-N 3.47Å
53	E	97.2	Very high	91	Very high	12 Å²	12	60.1 Å²	60.1	6%	0.056	31%	0.309	C	S	.	.	H	α-helix	trans	-66.1	-39.2	-179.4	-68.5	161.3	141.9	0	0	112.2	R11 M34 L37 L49 T50 N55 L56 L57	R11-E53 WeakPolarHBondContact CG-OE1 3.42Å; R11-E53 IonicContact CZ-OE1 3.93Å; R11-E53 IonicContact CZ-OE2 3.51Å; R11-E53 IonicContact NE-OE1 3.93Å; R11-E53 PolarHBondContact NE-OE1 3.25Å; R11-E53 IonicContact NE-OE2 3.65Å; R11-E53 IonicContact NH2-OE1 3.72Å; R11-E53 PolarHBondContact NH2-OE1 2.77Å; R11-E53 IonicContact NH2-OE2 2.9Å; R11-E53 PolarHBondContact NH2-OE2 3.05Å; M34-E53 HydrophobicContact CE-CB 4.16Å; M34-E53 VanDerWaalsContact CE-O 3.23Å; M34-E53 WeakPolarHBondContact CE-O 3.41Å; L37-E53 HydrophobicContact CD1-CG 4.31Å; L49-E53 HydrophobicContact CB-CB 4.21Å; L49-E53 HydrophobicContact CD2-CB 4.09Å; T50-E53 WeakPolarHBondContact CB-OE2 3.42Å; T50-E53 WeakPolarHBondContact CG2-OE2 3.48Å; T50-E53 PolarHBondContact N-OE2 3.13Å; T50-E53 PolarHBondContact O-N 2.86Å; T50-E53 VanDerWaalsContact O-N 3.16Å; T50-E53 VanDerWaalsContact OG1-CD 3.26Å; T50-E53 VanDerWaalsContact OG1-CG 3.3Å; T50-E53 WeakPolarHBondContact OG1-CG 3.37Å; T50-E53 PolarHBondContact OG1-N 3.46Å; T50-E53 PolarHBondContact OG1-OE2 2.79Å; E53-N55 VanDerWaalsContact C-N 3.3Å; E53-N55 PolarHBondContact O-N 3.01Å; E53-L56 PolarHBondContact O-N 2.95Å; E53-L57 WeakPolarHBondContact O-CB 3.46Å; E53-L57 PolarHBondContact O-N 3.46Å
54	R	97.3	Very high	91.9	Very high	7 Å²	7	56.9 Å²	56.9	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-44	173.3	-179.5	-170.6	73.8	-167.9	6.2	110.9	L49 T50 E52 S58 E128 S129 F132 Y133	L49-R54 HydrophobicContact CB-CB 4.38Å; T50-R54 VanDerWaalsContact O-CB 3.31Å; T50-R54 WeakPolarHBondContact O-CB 3.33Å; T50-R54 PolarHBondContact O-N 3.25Å; E52-R54 PolarHBondContact O-N 3.18Å; R54-S58 PolarHBondContact O-N 2.97Å; R54-S58 VanDerWaalsContact O-N 3.08Å; R54-E128 IonicContact CZ-OE1 3.31Å; R54-E128 VanDerWaalsContact CZ-OE1 3.32Å; R54-E128 IonicContact NH1-OE1 2.88Å; R54-E128 PolarHBondContact NH1-OE1 2.86Å; R54-E128 IonicContact NH2-OE1 2.97Å; R54-E128 PolarHBondContact NH2-OE1 3.39Å; R54-S129 PolarHBondContact NH1-OG 2.63Å; R54-S129 VanDerWaalsContact NH1-OG 3.13Å; R54-F132 HydrophobicContact CG-CD1 3.52Å; R54-F132 HydrophobicContact CG-CE1 3.36Å; R54-F132 HydrophobicContact CG-CG 4.17Å; R54-F132 HydrophobicContact CG-CZ 3.9Å; R54-Y133 HydrophobicContact CG-CE1 3.9Å
55	N	96.7	Very high	93.3	Very high	72 Å²	72	52 Å²	52	39%	0.385	27%	0.266	S	S	.	.	H	α-helix	trans	-67.5	-43.1	177.7	-70.6	-11.8	0	0	0	111.6	V51 E52 E53 L57 S58 V59	V51-N55 WeakPolarHBondContact O-CB 3.28Å; V51-N55 PolarHBondContact O-N 3.31Å; V51-N55 PolarHBondContact O-ND2 3.45Å; V51-N55 PolarHBondContact O-OD1 3.23Å; E52-N55 PolarHBondContact O-N 2.85Å; E53-N55 VanDerWaalsContact C-N 3.3Å; E53-N55 PolarHBondContact O-N 3.01Å; N55-L57 PolarHBondContact O-N 3.32Å; N55-S58 WeakPolarHBondContact O-CB 3.19Å; N55-S58 PolarHBondContact O-N 3.09Å; N55-V59 WeakPolarHBondContact O-CG2 3.44Å; N55-V59 PolarHBondContact O-N 3.03Å
56	L	98.5	Very high	95	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.052	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-44.5	175	-71.3	169.9	0	0	0	111.8	T15 K19 M30 M34 E52 E53 S58 V59 A60	T15-L56 HydrophobicContact CG2-CD1 3.84Å; K19-L56 HydrophobicContact CG-CD1 4.31Å; K19-L56 HydrophobicContact CG-CD2 4.18Å; M30-L56 HydrophobicContact CE-CB 4.05Å; M30-L56 HydrophobicContact CE-CD2 3.52Å; M30-L56 HydrophobicContact CE-CG 4.41Å; M30-L56 WeakPolarHBondContact CE-O 3.38Å; M34-L56 HydrophobicContact CE-CB 4.21Å; M34-L56 HydrophobicContact CG-CB 4.44Å; M34-L56 HydrophobicContact SD-CB 3.88Å; E52-L56 HydrophobicContact CG-CD1 4.15Å; E52-L56 WeakPolarHBondContact O-CG 3.47Å; E52-L56 PolarHBondContact O-N 3.47Å; E53-L56 PolarHBondContact O-N 2.95Å; L56-S58 VanDerWaalsContact C-N 3.3Å; L56-S58 PolarHBondContact O-N 3.29Å; L56-V59 PolarHBondContact O-N 2.87Å; L56-A60 VanDerWaalsContact O-CB 3.31Å; L56-A60 WeakPolarHBondContact O-CB 3.3Å; L56-A60 PolarHBondContact O-N 2.68Å
57	L	98.6	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.4	-45.4	174.9	179.8	71.3	0	0	0	111.1	M34 V38 L49 E53 N55 Y61 I112 L115 L120	M34-L57 HydrophobicContact CB-CB 4.44Å; M34-L57 HydrophobicContact CB-CD1 3.69Å; M34-L57 HydrophobicContact CE-CB 4.05Å; V38-L57 HydrophobicContact CG2-CD2 4.45Å; L49-L57 HydrophobicContact CD1-CD2 4.01Å; E53-L57 WeakPolarHBondContact O-CB 3.46Å; E53-L57 PolarHBondContact O-N 3.46Å; N55-L57 PolarHBondContact O-N 3.32Å; L57-Y61 HydrophobicContact CD1-CD2 3.74Å; L57-Y61 HydrophobicContact CD1-CE2 3.58Å; L57-Y61 HydrophobicContact CG-CD2 4.39Å; L57-Y61 PolarHBondContact O-N 3.37Å; L57-I112 HydrophobicContact CD1-CD1 4.14Å; L57-I112 HydrophobicContact CD2-CD1 4.12Å; L57-I112 HydrophobicContact CG-CD1 4.14Å; L57-L115 HydrophobicContact CD1-CD1 4.39Å; L57-L120 HydrophobicContact CD2-CD1 3.54Å
58	S	98.2	Very high	97.1	Very high	28 Å²	28	38.5 Å²	38.5	20%	0.196	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-48.3	178.9	-176.3	0	0	0	0	112.2	R54 N55 L56 A60 K62	R54-S58 PolarHBondContact O-N 2.97Å; R54-S58 VanDerWaalsContact O-N 3.08Å; N55-S58 WeakPolarHBondContact O-CB 3.19Å; N55-S58 PolarHBondContact O-N 3.09Å; L56-S58 VanDerWaalsContact C-N 3.3Å; L56-S58 PolarHBondContact O-N 3.29Å; S58-A60 VanDerWaalsContact C-N 3.34Å; S58-A60 PolarHBondContact O-N 2.84Å; S58-K62 WeakPolarHBondContact O-CB 3.47Å; S58-K62 PolarHBondContact O-N 3.1Å
59	V	98.3	Very high	97.5	Very high	41 Å²	41	37.4 Å²	37.4	25%	0.248	21%	0.206	C	C	.	.	H	α-helix	trans	-59.3	-44.6	178.1	169.8	0	0	0	0	111.1	Y27 M30 N55 L56 N63	Y27-V59 HydrophobicContact CE1-CG1 4.32Å; M30-V59 HydrophobicContact CE-CB 4.11Å; M30-V59 HydrophobicContact CE-CG1 3.96Å; M30-V59 HydrophobicContact SD-CG1 4.13Å; N55-V59 WeakPolarHBondContact O-CG2 3.44Å; N55-V59 PolarHBondContact O-N 3.03Å; L56-V59 PolarHBondContact O-N 2.87Å; V59-N63 WeakPolarHBondContact O-CB 3.37Å; V59-N63 PolarHBondContact O-N 2.76Å; V59-N63 VanDerWaalsContact O-N 3.12Å; V59-N63 PolarHBondContact O-ND2 3.43Å
60	A	98.5	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56.9	-60.7	-179.9	0	0	0	0	0	111.9	M30 A31 L56 S58 K62 N63 A64	M30-A60 HydrophobicContact CB-CB 3.85Å; M30-A60 HydrophobicContact CE-CB 4.28Å; M30-A60 HydrophobicContact CG-CB 3.57Å; M30-A60 VanDerWaalsContact SD-CA 3.56Å; M30-A60 HydrophobicContact SD-CB 3.64Å; A31-A60 HydrophobicContact CB-CB 4.22Å; L56-A60 VanDerWaalsContact O-CB 3.31Å; L56-A60 WeakPolarHBondContact O-CB 3.3Å; L56-A60 PolarHBondContact O-N 2.68Å; S58-A60 VanDerWaalsContact C-N 3.34Å; S58-A60 PolarHBondContact O-N 2.84Å; A60-K62 PolarHBondContact O-N 3.29Å; A60-N63 PolarHBondContact O-N 3.04Å; A60-A64 WeakPolarHBondContact O-CB 3.5Å; A60-A64 PolarHBondContact O-N 2.92Å
61	Y	98.7	Very high	97.8	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-70.8	-34.1	-175.9	-79.7	-87.5	0	0	0	112.5	A31 R35 L57 N63 A64 V65 I108 D111 I112 L115 Y140	A31-Y61 HydrophobicContact CB-CD1 4.33Å; A31-Y61 HydrophobicContact CB-CD2 4.16Å; A31-Y61 HydrophobicContact CB-CE1 4.17Å; A31-Y61 HydrophobicContact CB-CE2 3.99Å; A31-Y61 HydrophobicContact CB-CG 4.33Å; R35-Y61 PolarHBondContact NH2-OH 3.23Å; L57-Y61 HydrophobicContact CD1-CD2 3.74Å; L57-Y61 HydrophobicContact CD1-CE2 3.58Å; L57-Y61 HydrophobicContact CG-CD2 4.39Å; L57-Y61 PolarHBondContact O-N 3.37Å; Y61-N63 PolarHBondContact O-N 3.27Å; Y61-A64 PolarHBondContact O-N 3.07Å; Y61-V65 WeakPolarHBondContact O-CB 3.11Å; Y61-V65 VanDerWaalsContact O-CG1 3.28Å; Y61-V65 WeakPolarHBondContact O-CG1 3.48Å; Y61-V65 PolarHBondContact O-N 3.21Å; Y61-I108 HydrophobicContact CD1-CG2 3.92Å; Y61-I108 HydrophobicContact CE1-CG2 4.46Å; Y61-D111 HydrophobicContact CE1-CB 4.02Å; Y61-I112 HydrophobicContact CD1-CB 3.65Å; Y61-I112 HydrophobicContact CD1-CG1 4.4Å; Y61-I112 HydrophobicContact CD1-CG2 4.1Å; Y61-I112 HydrophobicContact CD2-CB 4.34Å; Y61-I112 HydrophobicContact CD2-CD1 3.88Å; Y61-I112 HydrophobicContact CD2-CG1 4.34Å; Y61-I112 HydrophobicContact CE1-CB 3.76Å; Y61-I112 HydrophobicContact CE1-CG2 4.47Å; Y61-I112 HydrophobicContact CE2-CB 4.43Å; Y61-I112 HydrophobicContact CE2-CD1 4.02Å; Y61-I112 HydrophobicContact CG-CB 3.94Å; Y61-I112 HydrophobicContact CG-CD1 4.24Å; Y61-I112 HydrophobicContact CG-CG1 4.18Å; Y61-L115 HydrophobicContact CE2-CD1 4.2Å; Y61-Y140 WeakPolarHBondContact CB-OH 3.39Å; Y61-Y140 PolarHBondContact O-OH 3.15Å
62	K	98.1	Very high	98	Very high	130 Å²	130	36.4 Å²	36.4	57%	0.565	20%	0.203	S	C	*	.	H	α-helix	trans	-61.5	-44.1	177.7	179.6	-175.4	175.4	-173.3	0	111.5	S58 A60 V65 G66 Y140	S58-K62 WeakPolarHBondContact O-CB 3.47Å; S58-K62 PolarHBondContact O-N 3.1Å; A60-K62 PolarHBondContact O-N 3.29Å; K62-V65 WeakPolarHBondContact O-CG1 3.29Å; K62-G66 WeakPolarHBondContact O-CA 3.42Å; K62-G66 PolarHBondContact O-N 3.26Å; K62-Y140 PolarHBondContact N-OH 3.23Å
63	N	98.1	Very high	98	Very high	58 Å²	58	36.5 Å²	36.5	31%	0.31	20%	0.2	S	C	.	.	H	α-helix	trans	-75.7	-40.3	179.9	-75.2	-73	0	0	0	111.8	Y27 V59 A60 Y61 V65 G66 A67	Y27-N63 HydrophobicContact CD1-CB 3.48Å; Y27-N63 VanDerWaalsContact CD1-CB 3.48Å; Y27-N63 HydrophobicContact CD2-CB 3.41Å; Y27-N63 VanDerWaalsContact CD2-CB 3.41Å; Y27-N63 HydrophobicContact CE1-CB 3.76Å; Y27-N63 HydrophobicContact CE2-CB 3.66Å; Y27-N63 HydrophobicContact CG-CB 3.29Å; V59-N63 WeakPolarHBondContact O-CB 3.37Å; V59-N63 PolarHBondContact O-N 2.76Å; V59-N63 VanDerWaalsContact O-N 3.12Å; V59-N63 PolarHBondContact O-ND2 3.43Å; A60-N63 PolarHBondContact O-N 3.04Å; Y61-N63 PolarHBondContact O-N 3.27Å; N63-V65 PolarHBondContact O-N 3.48Å; N63-G66 PolarHBondContact O-N 3.11Å; N63-A67 PolarHBondContact O-N 3.04Å
64	A	98	Very high	98.1	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-49.1	175.8	0	0	0	0	0	111.9	A60 Y61 R68 I108	A60-A64 WeakPolarHBondContact O-CB 3.5Å; A60-A64 PolarHBondContact O-N 2.92Å; Y61-A64 PolarHBondContact O-N 3.07Å; A64-R68 VanDerWaalsContact O-CD 3.27Å; A64-R68 WeakPolarHBondContact O-CD 3.33Å; A64-I108 HydrophobicContact CB-CD1 4.48Å; A64-I108 HydrophobicContact CB-CG2 4.39Å
65	V	98.2	Very high	98.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-69.9	-35.9	176.8	80.5	0	0	0	0	111.7	Y61 K62 N63 A67 R68 R69 L105 I108 Y140 Y143	Y61-V65 WeakPolarHBondContact O-CB 3.11Å; Y61-V65 VanDerWaalsContact O-CG1 3.28Å; Y61-V65 WeakPolarHBondContact O-CG1 3.48Å; Y61-V65 PolarHBondContact O-N 3.21Å; K62-V65 WeakPolarHBondContact O-CG1 3.29Å; N63-V65 PolarHBondContact O-N 3.48Å; V65-A67 PolarHBondContact O-N 3.12Å; V65-R68 PolarHBondContact O-N 3.21Å; V65-R69 HydrophobicContact CG2-CG 4.29Å; V65-R69 WeakPolarHBondContact O-CB 3.28Å; V65-R69 WeakPolarHBondContact O-CG 3.02Å; V65-R69 PolarHBondContact O-N 3.13Å; V65-L105 HydrophobicContact CG2-CD2 3.68Å; V65-I108 HydrophobicContact CB-CG2 4.13Å; V65-Y140 HydrophobicContact CB-CE1 4.17Å; V65-Y140 HydrophobicContact CG1-CE1 3.9Å; V65-Y140 HydrophobicContact CG2-CE1 4.44Å; V65-Y143 HydrophobicContact CG1-CD2 3.93Å; V65-Y143 HydrophobicContact CG1-CE2 3.76Å; V65-Y143 HydrophobicContact CG2-CD2 4Å
66	G	97.8	Very high	98.2	Very high	28 Å²	28	39.3 Å²	39.3	29%	0.289	22%	0.215	S	C	.	.	H	α-helix	trans	-58.2	-45.9	178.6	0	0	0	0	0	112.8	K62 N63 R68 R69 A70	K62-G66 WeakPolarHBondContact O-CA 3.42Å; K62-G66 PolarHBondContact O-N 3.26Å; N63-G66 PolarHBondContact O-N 3.11Å; G66-R68 PolarHBondContact O-N 3.27Å; G66-R69 PolarHBondContact O-N 3.33Å; G66-A70 PolarHBondContact O-N 3.48Å
67	A	97.5	Very high	98.1	Very high	51 Å²	51	40.9 Å²	40.9	42%	0.421	23%	0.228	S	C	.	.	H	α-helix	trans	-61.1	-43.1	178.3	0	0	0	0	0	112.6	N63 V65 S71	N63-A67 PolarHBondContact O-N 3.04Å; V65-A67 PolarHBondContact O-N 3.12Å; A67-S71 PolarHBondContact O-N 3.02Å; A67-S71 VanDerWaalsContact O-N 3.1Å; A67-S71 PolarHBondContact O-OG 2.74Å
68	R	98.3	Very high	98.1	Very high	55 Å²	55	43.9 Å²	43.9	21%	0.208	25%	0.245	C	C	.	.	H	α-helix	trans	-72.7	-35.8	177.4	-80.3	74.2	-177.4	-179.4	-1.7	111.8	D28 A64 V65 G66 A70 S71 W72 V101 E104 L105 I108	D28-R68 VanDerWaalsContact CG-NH1 3.29Å; D28-R68 IonicContact OD1-CZ 3.69Å; D28-R68 IonicContact OD1-NH1 3.43Å; D28-R68 PolarHBondContact OD1-NH1 2.79Å; D28-R68 IonicContact OD1-NH2 3.52Å; D28-R68 PolarHBondContact OD1-NH2 3.3Å; D28-R68 IonicContact OD2-CZ 3.05Å; D28-R68 VanDerWaalsContact OD2-CZ 3.3Å; D28-R68 IonicContact OD2-NH1 3.85Å; D28-R68 PolarHBondContact OD2-NH1 3.49Å; D28-R68 IonicContact OD2-NH2 2.82Å; D28-R68 PolarHBondContact OD2-NH2 2.72Å; A64-R68 VanDerWaalsContact O-CD 3.27Å; A64-R68 WeakPolarHBondContact O-CD 3.33Å; V65-R68 PolarHBondContact O-N 3.21Å; G66-R68 PolarHBondContact O-N 3.27Å; R68-A70 VanDerWaalsContact C-N 3.34Å; R68-A70 PolarHBondContact O-N 2.94Å; R68-S71 WeakPolarHBondContact O-CB 3.44Å; R68-S71 PolarHBondContact O-N 3.39Å; R68-W72 WeakPolarHBondContact O-CB 3.38Å; R68-W72 PolarHBondContact O-N 2.86Å; R68-V101 HydrophobicContact CB-CG1 4.16Å; R68-V101 HydrophobicContact CG-CG1 4.44Å; R68-V101 WeakPolarHBondContact O-CG1 3.5Å; R68-E104 HydrophobicContact CG-CB 4.17Å; R68-E104 IonicContact NE-OE2 3.96Å; R68-L105 HydrophobicContact CB-CD1 4.4Å; R68-L105 HydrophobicContact CB-CD2 3.33Å; R68-L105 HydrophobicContact CB-CG 3.58Å; R68-L105 HydrophobicContact CG-CD2 4.49Å; R68-I108 HydrophobicContact CG-CD1 4.36Å
69	R	97.9	Very high	98.1	Very high	33 Å²	33	43.6 Å²	43.6	13%	0.125	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-40	175.8	-78.7	179.6	69.2	-134.8	10.8	111.4	V65 G66 R73 L105 Y143 E146	V65-R69 HydrophobicContact CG2-CG 4.29Å; V65-R69 WeakPolarHBondContact O-CB 3.28Å; V65-R69 WeakPolarHBondContact O-CG 3.02Å; V65-R69 PolarHBondContact O-N 3.13Å; G66-R69 PolarHBondContact O-N 3.33Å; R69-R73 WeakPolarHBondContact O-CG 3.37Å; R69-R73 PolarHBondContact O-N 2.95Å; R69-L105 HydrophobicContact CB-CD2 4.49Å; R69-L105 HydrophobicContact CG-CD1 4.42Å; R69-L105 HydrophobicContact CG-CD2 3.69Å; R69-Y143 VanDerWaalsContact CZ-CD1 3.43Å; R69-Y143 VanDerWaalsContact CZ-CE1 3.42Å; R69-E146 IonicContact CZ-OE1 3.12Å; R69-E146 IonicContact CZ-OE2 3.66Å; R69-E146 VanDerWaalsContact CZ-OE2 3.31Å; R69-E146 IonicContact NE-OE1 3.47Å; R69-E146 IonicContact NE-OE2 3.66Å; R69-E146 PolarHBondContact NE-OE2 3.39Å; R69-E146 IonicContact NH2-OE1 3.55Å; R69-E146 PolarHBondContact NH2-OE1 3.2Å; R69-E146 IonicContact NH2-OE2 2.8Å; R69-E146 PolarHBondContact NH2-OE2 3.45Å
70	A	98.1	Very high	98	Very high	49 Å²	49	48.4 Å²	48.4	41%	0.405	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-47.5	173.6	0	0	0	0	0	111.2	G66 R68 W72 R73 I74	G66-A70 PolarHBondContact O-N 3.48Å; R68-A70 VanDerWaalsContact C-N 3.34Å; R68-A70 PolarHBondContact O-N 2.94Å; A70-W72 VanDerWaalsContact C-N 3.35Å; A70-W72 PolarHBondContact O-N 3.22Å; A70-R73 PolarHBondContact O-N 3.37Å; A70-I74 WeakPolarHBondContact O-CG1 3.36Å; A70-I74 PolarHBondContact O-N 3.39Å; A70-I74 VanDerWaalsContact O-N 3.14Å
71	S	98.2	Very high	97.9	Very high	51 Å²	51	54 Å²	54	36%	0.357	29%	0.285	S	S	.	.	H	α-helix	trans	-57.7	-47.5	176.3	-59.2	0	0	0	0	111.6	A67 R68 R73 I74 I75	A67-S71 PolarHBondContact O-N 3.02Å; A67-S71 VanDerWaalsContact O-N 3.1Å; A67-S71 PolarHBondContact O-OG 2.74Å; R68-S71 WeakPolarHBondContact O-CB 3.44Å; R68-S71 PolarHBondContact O-N 3.39Å; S71-R73 PolarHBondContact O-N 3.25Å; S71-I74 PolarHBondContact O-N 3.15Å; S71-I75 VanDerWaalsContact O-CD1 3.32Å; S71-I75 WeakPolarHBondContact O-CD1 3.28Å; S71-I75 WeakPolarHBondContact O-CG1 3.36Å; S71-I75 PolarHBondContact O-N 3.43Å
72	W	98.4	Very high	97.9	Very high	37 Å²	37	55.1 Å²	55.1	14%	0.14	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-49	178.2	176.6	80.7	0	0	0	112.1	R68 A70 I74 I75 S76 V101 E102 L105 E146 F147	R68-W72 WeakPolarHBondContact O-CB 3.38Å; R68-W72 PolarHBondContact O-N 2.86Å; A70-W72 VanDerWaalsContact C-N 3.35Å; A70-W72 PolarHBondContact O-N 3.22Å; W72-I74 VanDerWaalsContact C-N 3.32Å; W72-I74 PolarHBondContact O-N 3.41Å; W72-I75 PolarHBondContact O-N 3.46Å; W72-S76 WeakPolarHBondContact O-CB 3.41Å; W72-S76 PolarHBondContact O-N 3.12Å; W72-S76 PolarHBondContact O-OG 3.39Å; W72-V101 HydrophobicContact CB-CG1 3.86Å; W72-E102 VanDerWaalsContact CD1-CG 3.49Å; W72-E102 PolarHBondContact NE1-OE1 3.28Å; W72-L105 HydrophobicContact CB-CD1 3.83Å; W72-L105 HydrophobicContact CG-CD1 4.11Å; W72-E146 VanDerWaalsContact CH2-O 3.31Å; W72-E146 WeakPolarHBondContact CH2-O 3.4Å; W72-E146 HydrophobicContact CZ3-CB 4.49Å; W72-F147 HydrophobicContact CD2-CB 4.24Å; W72-F147 HydrophobicContact CH2-CB 4.24Å; W72-F147 HydrophobicContact CZ2-CB 3.56Å
73	R	97.8	Very high	97.7	Very high	101 Å²	101	54.8 Å²	54.8	38%	0.381	29%	0.293	S	S	.	.	H	α-helix	trans	-57	-44.3	177.5	-75.3	-175.4	179.2	83.5	9	112.4	R69 A70 S71 S77 E146	R69-R73 WeakPolarHBondContact O-CG 3.37Å; R69-R73 PolarHBondContact O-N 2.95Å; A70-R73 PolarHBondContact O-N 3.37Å; S71-R73 PolarHBondContact O-N 3.25Å; R73-S77 WeakPolarHBondContact O-CB 3.39Å; R73-S77 PolarHBondContact O-N 3Å; R73-E146 IonicContact CZ-OE2 3.98Å; R73-E146 IonicContact NH2-OE2 4Å; R73-E146 PolarHBondContact NH2-OE2 2.84Å
74	I	98.3	Very high	97.6	Very high	112 Å²	112	57 Å²	57	57%	0.574	31%	0.312	S	S	*	.	H	α-helix	trans	-63.3	-49	178.9	-67.5	167.2	0	0	0	110.2	A70 S71 W72 S77 V78	A70-I74 WeakPolarHBondContact O-CG1 3.36Å; A70-I74 PolarHBondContact O-N 3.39Å; A70-I74 VanDerWaalsContact O-N 3.14Å; S71-I74 PolarHBondContact O-N 3.15Å; W72-I74 VanDerWaalsContact C-N 3.32Å; W72-I74 PolarHBondContact O-N 3.41Å; I74-S77 WeakPolarHBondContact O-CB 3.05Å; I74-S77 PolarHBondContact O-N 3.14Å; I74-V78 WeakPolarHBondContact O-CG2 3.28Å; I74-V78 PolarHBondContact O-N 2.93Å
75	I	98.3	Very high	97.5	Very high	18 Å²	18	63.3 Å²	63.3	9%	0.092	34%	0.339	C	S	.	.	H	α-helix	trans	-65.9	-41.8	-177.3	-61	158.1	0	0	0	110.7	S71 W72 S77 V78 E79 A94 Y97 R98 V101	S71-I75 VanDerWaalsContact O-CD1 3.32Å; S71-I75 WeakPolarHBondContact O-CD1 3.28Å; S71-I75 WeakPolarHBondContact O-CG1 3.36Å; S71-I75 PolarHBondContact O-N 3.43Å; W72-I75 PolarHBondContact O-N 3.46Å; I75-S77 VanDerWaalsContact C-N 3.31Å; I75-S77 PolarHBondContact O-N 3Å; I75-V78 PolarHBondContact O-N 3.43Å; I75-V78 VanDerWaalsContact O-N 3.15Å; I75-E79 PolarHBondContact O-N 3.35Å; I75-A94 WeakPolarHBondContact CG2-O 3.43Å; I75-Y97 HydrophobicContact CD1-CD1 3.41Å; I75-Y97 VanDerWaalsContact CD1-CD1 3.41Å; I75-Y97 HydrophobicContact CD1-CE1 3.41Å; I75-Y97 VanDerWaalsContact CD1-CE1 3.41Å; I75-Y97 HydrophobicContact CD1-CG 4.31Å; I75-Y97 HydrophobicContact CG1-CD1 3.86Å; I75-Y97 HydrophobicContact CG1-CE1 4.05Å; I75-Y97 HydrophobicContact CG2-CD1 4.27Å; I75-R98 HydrophobicContact CG2-CB 3.79Å; I75-V101 HydrophobicContact CD1-CB 4.47Å; I75-V101 HydrophobicContact CD1-CG2 3.63Å
76	S	97.5	Very high	97.4	Very high	19 Å²	19	67.2 Å²	67.2	13%	0.133	37%	0.371	C	S	.	.	H	α-helix	trans	-58.2	-42.7	173.5	-65.6	0	0	0	0	111.8	W72 E79 Q80 R98	W72-S76 WeakPolarHBondContact O-CB 3.41Å; W72-S76 PolarHBondContact O-N 3.12Å; W72-S76 PolarHBondContact O-OG 3.39Å; S76-E79 PolarHBondContact O-N 3.05Å; S76-Q80 WeakPolarHBondContact O-CG 3.4Å; S76-Q80 PolarHBondContact O-N 3.23Å; S76-Q80 VanDerWaalsContact O-N 3.08Å; S76-R98 WeakPolarHBondContact OG-CD 3.45Å
77	S	97.8	Very high	97.3	Very high	44 Å²	44	68.3 Å²	68.3	31%	0.308	37%	0.371	S	S	.	.	H	α-helix	trans	-64.5	-40.4	174.6	-174.7	0	0	0	0	112.4	R73 I74 I75 Q80 K81	R73-S77 WeakPolarHBondContact O-CB 3.39Å; R73-S77 PolarHBondContact O-N 3Å; I74-S77 WeakPolarHBondContact O-CB 3.05Å; I74-S77 PolarHBondContact O-N 3.14Å; I75-S77 VanDerWaalsContact C-N 3.31Å; I75-S77 PolarHBondContact O-N 3Å; S77-Q80 PolarHBondContact O-N 3.44Å; S77-K81 VanDerWaalsContact O-CG 3.3Å; S77-K81 WeakPolarHBondContact O-CG 3.48Å; S77-K81 PolarHBondContact O-N 2.83Å
78	V	98	Very high	97.2	Very high	62 Å²	62	70.6 Å²	70.6	38%	0.376	38%	0.379	S	S	.	.	H	α-helix	trans	-65.2	-43.6	175.8	171.5	0	0	0	0	111.1	I74 I75 Q80 K81 E82 A94	I74-V78 WeakPolarHBondContact O-CG2 3.28Å; I74-V78 PolarHBondContact O-N 2.93Å; I75-V78 PolarHBondContact O-N 3.43Å; I75-V78 VanDerWaalsContact O-N 3.15Å; V78-Q80 VanDerWaalsContact C-N 3.32Å; V78-Q80 PolarHBondContact O-N 3.15Å; V78-K81 PolarHBondContact O-N 2.95Å; V78-E82 HydrophobicContact CG1-CG 4.32Å; V78-E82 WeakPolarHBondContact O-CG 3.5Å; V78-E82 PolarHBondContact O-N 3.46Å; V78-A94 HydrophobicContact CG1-CB 4.43Å
79	E	97.5	Very high	97.2	Very high	22 Å²	22	74.4 Å²	74.4	10%	0.103	40%	0.399	C	S	.	.	H	α-helix	trans	-55.9	-47.8	175.4	-176.8	-177.7	171.5	0	0	111	I75 S76 K81 E82 M83 K91 A94 A95 R98	I75-E79 PolarHBondContact O-N 3.35Å; S76-E79 PolarHBondContact O-N 3.05Å; E79-K81 PolarHBondContact O-N 3.25Å; E79-E82 PolarHBondContact O-N 3.11Å; E79-M83 WeakPolarHBondContact O-CB 3.48Å; E79-M83 PolarHBondContact O-N 3.48Å; E79-K91 HydrophobicContact CG-CD 4.48Å; E79-K91 HydrophobicContact CG-CG 4.12Å; E79-K91 WeakPolarHBondContact OE1-CE 3.31Å; E79-K91 IonicContact OE1-NZ 3.88Å; E79-K91 PolarHBondContact OE1-NZ 3.47Å; E79-A94 HydrophobicContact CB-CB 3.93Å; E79-A94 HydrophobicContact CG-CB 4.46Å; E79-A95 HydrophobicContact CG-CB 4.36Å; E79-A95 WeakPolarHBondContact OE1-CB 3.44Å; E79-R98 IonicContact OE1-NH2 3.62Å; E79-R98 IonicContact OE2-CZ 3.3Å; E79-R98 IonicContact OE2-NE 2.7Å; E79-R98 PolarHBondContact OE2-NE 3Å; E79-R98 IonicContact OE2-NH2 3.28Å; E79-R98 PolarHBondContact OE2-NH2 3.01Å
80	Q	96.8	Very high	97.2	Very high	142 Å²	142	76.2 Å²	76.2	66%	0.664	41%	0.411	S	S	*	.	H	α-helix	trans	-62.4	-40.7	177.5	-71.6	175.1	-7	0	0	112.4	S76 S77 V78 M83 S84	S76-Q80 WeakPolarHBondContact O-CG 3.4Å; S76-Q80 PolarHBondContact O-N 3.23Å; S76-Q80 VanDerWaalsContact O-N 3.08Å; S77-Q80 PolarHBondContact O-N 3.44Å; V78-Q80 VanDerWaalsContact C-N 3.32Å; V78-Q80 PolarHBondContact O-N 3.15Å; Q80-M83 WeakPolarHBondContact O-CB 3.44Å; Q80-M83 PolarHBondContact O-N 3.43Å; Q80-S84 PolarHBondContact O-N 3.33Å
81	K	97.5	Very high	97.2	Very high	118 Å²	118	76.1 Å²	76.1	51%	0.513	40%	0.402	S	S	.	.	H	α-helix	trans	-67.2	-36.8	177.1	-74.6	171	-177.5	171.9	0	113	S77 V78 E79 S84 K85	S77-K81 VanDerWaalsContact O-CG 3.3Å; S77-K81 WeakPolarHBondContact O-CG 3.48Å; S77-K81 PolarHBondContact O-N 2.83Å; V78-K81 PolarHBondContact O-N 2.95Å; E79-K81 PolarHBondContact O-N 3.25Å; K81-S84 PolarHBondContact O-OG 3.26Å; K81-K85 WeakPolarHBondContact O-CG 3.35Å; K81-K85 PolarHBondContact O-N 3.45Å
82	E	97.7	Very high	97.2	Very high	24 Å²	24	77.7 Å²	77.7	11%	0.112	41%	0.406	C	S	.	.	H	α-helix	trans	-73.6	-31.9	176.4	-66.2	-57.8	117.8	0	0	111.4	V78 E79 K85 A86 N87 N90 K91	V78-E82 HydrophobicContact CG1-CG 4.32Å; V78-E82 WeakPolarHBondContact O-CG 3.5Å; V78-E82 PolarHBondContact O-N 3.46Å; E79-E82 PolarHBondContact O-N 3.11Å; E82-K85 PolarHBondContact O-N 3.42Å; E82-K85 IonicContact OE1-NZ 3.47Å; E82-K85 PolarHBondContact OE1-NZ 3.48Å; E82-A86 PolarHBondContact O-N 3.05Å; E82-N87 HydrophobicContact CB-CB 4.5Å; E82-N87 PolarHBondContact O-N 2.93Å; E82-N87 PolarHBondContact OE2-ND2 3.12Å; E82-N90 HydrophobicContact CB-CB 4.23Å; E82-N90 HydrophobicContact CG-CB 3.87Å; E82-N90 WeakPolarHBondContact OE2-CB 3.17Å; E82-N90 PolarHBondContact OE2-ND2 2.88Å; E82-K91 HydrophobicContact CB-CB 4.16Å
83	M	94.2	Very high	97.2	Very high	124 Å²	124	79.8 Å²	79.8	61%	0.611	42%	0.423	S	S	*	.	H	α-helix	trans	-61.4	-44.8	170.5	-170.2	68.6	175.6	0	0	111.9	E79 Q80 K85 A86 K91	E79-M83 WeakPolarHBondContact O-CB 3.48Å; E79-M83 PolarHBondContact O-N 3.48Å; Q80-M83 WeakPolarHBondContact O-CB 3.44Å; Q80-M83 PolarHBondContact O-N 3.43Å; M83-K85 PolarHBondContact O-N 2.94Å; M83-A86 PolarHBondContact O-N 2.95Å; M83-K91 HydrophobicContact CB-CG 4.07Å; M83-K91 HydrophobicContact SD-CD 4.22Å; M83-K91 HydrophobicContact SD-CG 4.03Å
84	S	96.5	Very high	97.2	Very high	103 Å²	103	75.5 Å²	75.5	72%	0.72	41%	0.409	S	S	*	.	H	α-helix	trans	-68.4	-22.1	179.5	68.8	0	0	0	0	113.8	Q80 K81 A86	Q80-S84 PolarHBondContact O-N 3.33Å; K81-S84 PolarHBondContact O-OG 3.26Å; S84-A86 VanDerWaalsContact C-N 3.31Å
85	K	96.2	Very high	97.2	Very high	136 Å²	136	70.7 Å²	70.7	59%	0.591	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	3.3	171.9	-64.1	172.3	-165.9	166.6	0	113.8	K81 E82 M83 N87	K81-K85 WeakPolarHBondContact O-CG 3.35Å; K81-K85 PolarHBondContact O-N 3.45Å; E82-K85 PolarHBondContact O-N 3.42Å; E82-K85 IonicContact OE1-NZ 3.47Å; E82-K85 PolarHBondContact OE1-NZ 3.48Å; M83-K85 PolarHBondContact O-N 2.94Å; K85-N87 HydrophobicContact CB-CB 4.44Å; K85-N87 PolarHBondContact O-N 3.47Å; K85-N87 VanDerWaalsContact O-N 3.13Å
86	A	94.5	Very high	97.2	Very high	82 Å²	82	74.6 Å²	74.6	68%	0.678	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	24.3	-170.8	0	0	0	0	0	114.1	E82 M83 S84 V88	E82-A86 PolarHBondContact O-N 3.05Å; M83-A86 PolarHBondContact O-N 2.95Å; S84-A86 VanDerWaalsContact C-N 3.31Å; A86-V88 PolarHBondContact O-N 3.18Å; A86-V88 VanDerWaalsContact O-N 3.08Å
87	N	96.4	Very high	97.2	Very high	52 Å²	52	79.8 Å²	79.8	28%	0.278	43%	0.428	S	S	.	.			trans	-86	79	178.1	-172.3	-8	0	0	0	110.5	E82 K85 H89 N90 K91	E82-N87 HydrophobicContact CB-CB 4.5Å; E82-N87 PolarHBondContact O-N 2.93Å; E82-N87 PolarHBondContact OE2-ND2 3.12Å; K85-N87 HydrophobicContact CB-CB 4.44Å; K85-N87 PolarHBondContact O-N 3.47Å; K85-N87 VanDerWaalsContact O-N 3.13Å; N87-H89 VanDerWaalsContact C-N 3.27Å; N87-H89 PolarHBondContact O-N 3.47Å; N87-N90 WeakPolarHBondContact ND2-CB 3.37Å; N87-N90 VanDerWaalsContact ND2-CG 3.26Å; N87-N90 PolarHBondContact ND2-ND2 2.69Å; N87-N90 PolarHBondContact O-N 3.12Å; N87-N90 PolarHBondContact OD1-N 2.84Å; N87-K91 VanDerWaalsContact O-CB 3.27Å; N87-K91 WeakPolarHBondContact O-CB 3.48Å; N87-K91 PolarHBondContact O-N 3.47Å
88	V	96.4	Very high	97.3	Very high	98 Å²	98	80 Å²	80	59%	0.594	42%	0.422	S	S	*	.	H	α-helix	trans	-58.6	-37.7	-174.3	-178.3	0	0	0	0	112.3	A86 N92	A86-V88 PolarHBondContact O-N 3.18Å; A86-V88 VanDerWaalsContact O-N 3.08Å; V88-N92 WeakPolarHBondContact O-CB 3.43Å; V88-N92 VanDerWaalsContact O-CG 3.22Å; V88-N92 PolarHBondContact O-N 2.92Å; V88-N92 PolarHBondContact O-ND2 3.28Å
89	H	97.8	Very high	97.3	Very high	136 Å²	136	82.7 Å²	82.7	63%	0.63	43%	0.429	S	S	*	.	H	α-helix	trans	-63.8	-55.7	-179.5	-179.7	72.5	0	0	0	111.5	N87 K91 N92 V93	N87-H89 VanDerWaalsContact C-N 3.27Å; N87-H89 PolarHBondContact O-N 3.47Å; H89-K91 VanDerWaalsContact C-N 3.3Å; H89-K91 PolarHBondContact O-N 3.49Å; H89-N92 PolarHBondContact O-N 3.22Å; H89-N92 VanDerWaalsContact O-N 3.12Å; H89-V93 WeakPolarHBondContact O-CG2 3.36Å; H89-V93 PolarHBondContact O-N 3.45Å
90	N	97.8	Very high	97.3	Very high	71 Å²	71	86.7 Å²	86.7	38%	0.38	45%	0.446	S	S	.	.	H	α-helix	trans	-66	-35.1	-179.6	-73.2	0.4	0	0	0	112.1	E82 N87 N92 V93 A94	E82-N90 HydrophobicContact CB-CB 4.23Å; E82-N90 HydrophobicContact CG-CB 3.87Å; E82-N90 WeakPolarHBondContact OE2-CB 3.17Å; E82-N90 PolarHBondContact OE2-ND2 2.88Å; N87-N90 WeakPolarHBondContact ND2-CB 3.37Å; N87-N90 VanDerWaalsContact ND2-CG 3.26Å; N87-N90 PolarHBondContact ND2-ND2 2.69Å; N87-N90 PolarHBondContact O-N 3.12Å; N87-N90 PolarHBondContact OD1-N 2.84Å; N90-N92 VanDerWaalsContact C-N 3.28Å; N90-N92 PolarHBondContact O-N 2.9Å; N90-V93 PolarHBondContact O-N 3Å; N90-A94 WeakPolarHBondContact O-CB 3.33Å; N90-A94 PolarHBondContact O-N 3.42Å
91	K	97.9	Very high	97.4	Very high	47 Å²	47	80.1 Å²	80.1	20%	0.204	42%	0.416	C	S	.	.	H	α-helix	trans	-55.5	-45	172.3	-174.8	-88.4	163.6	-162.2	0	111.2	E79 E82 M83 N87 H89 A94 A95	E79-K91 HydrophobicContact CG-CD 4.48Å; E79-K91 HydrophobicContact CG-CG 4.12Å; E79-K91 WeakPolarHBondContact OE1-CE 3.31Å; E79-K91 IonicContact OE1-NZ 3.88Å; E79-K91 PolarHBondContact OE1-NZ 3.47Å; E82-K91 HydrophobicContact CB-CB 4.16Å; M83-K91 HydrophobicContact CB-CG 4.07Å; M83-K91 HydrophobicContact SD-CD 4.22Å; M83-K91 HydrophobicContact SD-CG 4.03Å; N87-K91 VanDerWaalsContact O-CB 3.27Å; N87-K91 WeakPolarHBondContact O-CB 3.48Å; N87-K91 PolarHBondContact O-N 3.47Å; H89-K91 VanDerWaalsContact C-N 3.3Å; H89-K91 PolarHBondContact O-N 3.49Å; K91-A94 PolarHBondContact O-N 3.3Å; K91-A95 WeakPolarHBondContact O-CB 3.35Å; K91-A95 PolarHBondContact O-N 2.82Å
92	N	98.1	Very high	97.4	Very high	84 Å²	84	75.8 Å²	75.8	45%	0.449	40%	0.397	S	S	.	.	H	α-helix	trans	-70.6	-36.6	179.8	-71.2	-21.5	0	0	0	112.8	V88 H89 N90 A95 T96	V88-N92 WeakPolarHBondContact O-CB 3.43Å; V88-N92 VanDerWaalsContact O-CG 3.22Å; V88-N92 PolarHBondContact O-N 2.92Å; V88-N92 PolarHBondContact O-ND2 3.28Å; H89-N92 PolarHBondContact O-N 3.22Å; H89-N92 VanDerWaalsContact O-N 3.12Å; N90-N92 VanDerWaalsContact C-N 3.28Å; N90-N92 PolarHBondContact O-N 2.9Å; N92-A95 PolarHBondContact O-N 3.1Å; N92-T96 PolarHBondContact O-N 2.93Å; N92-T96 PolarHBondContact O-OG1 2.99Å
93	V	98.4	Very high	97.4	Very high	81 Å²	81	80.8 Å²	80.8	49%	0.491	42%	0.421	S	S	.	.	H	α-helix	trans	-62.4	-48.1	172.9	174.9	0	0	0	0	110.5	H89 N90 A95 T96 Y97	H89-V93 WeakPolarHBondContact O-CG2 3.36Å; H89-V93 PolarHBondContact O-N 3.45Å; N90-V93 PolarHBondContact O-N 3Å; V93-A95 PolarHBondContact O-N 3.41Å; V93-T96 PolarHBondContact O-N 3.37Å; V93-Y97 PolarHBondContact O-N 3.13Å
94	A	98.2	Very high	97.6	Very high	11 Å²	11	77.9 Å²	77.9	9%	0.091	41%	0.405	C	S	.	.	H	α-helix	trans	-60.6	-44	176.8	0	0	0	0	0	111.8	I75 V78 E79 N90 K91 T96 Y97 R98	I75-A94 WeakPolarHBondContact CG2-O 3.43Å; V78-A94 HydrophobicContact CG1-CB 4.43Å; E79-A94 HydrophobicContact CB-CB 3.93Å; E79-A94 HydrophobicContact CG-CB 4.46Å; N90-A94 WeakPolarHBondContact O-CB 3.33Å; N90-A94 PolarHBondContact O-N 3.42Å; K91-A94 PolarHBondContact O-N 3.3Å; A94-T96 VanDerWaalsContact C-N 3.34Å; A94-T96 PolarHBondContact O-N 3.01Å; A94-Y97 PolarHBondContact O-N 3.27Å; A94-R98 WeakPolarHBondContact O-CB 3.21Å; A94-R98 PolarHBondContact O-N 3.48Å
95	A	98	Very high	97.7	Very high	11 Å²	11	73 Å²	73	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-61.5	-40.3	177.2	0	0	0	0	0	112.7	E79 K91 N92 V93 R98 K99	E79-A95 HydrophobicContact CG-CB 4.36Å; E79-A95 WeakPolarHBondContact OE1-CB 3.44Å; K91-A95 WeakPolarHBondContact O-CB 3.35Å; K91-A95 PolarHBondContact O-N 2.82Å; N92-A95 PolarHBondContact O-N 3.1Å; V93-A95 PolarHBondContact O-N 3.41Å; A95-R98 PolarHBondContact O-N 3.02Å; A95-K99 WeakPolarHBondContact O-CG 3.32Å; A95-K99 PolarHBondContact O-N 3.49Å; A95-K99 VanDerWaalsContact O-N 3.13Å
96	T	98.4	Very high	97.8	Very high	100 Å²	100	69 Å²	69	61%	0.613	36%	0.357	S	S	*	.	H	α-helix	trans	-65.3	-43	176.9	-56.6	0	0	0	0	110.7	N92 V93 A94 K99 K100	N92-T96 PolarHBondContact O-N 2.93Å; N92-T96 PolarHBondContact O-OG1 2.99Å; V93-T96 PolarHBondContact O-N 3.37Å; A94-T96 VanDerWaalsContact C-N 3.34Å; A94-T96 PolarHBondContact O-N 3.01Å; T96-K99 PolarHBondContact O-N 3.34Å; T96-K100 PolarHBondContact O-N 3.15Å
97	Y	98.3	Very high	98	Very high	127 Å²	127	69.7 Å²	69.7	50%	0.498	35%	0.349	S	S	.	.	H	α-helix	trans	-69.2	-37.4	178.1	-169	-132.5	0	0	0	112.4	I75 V93 A94 K99 K100 V101	I75-Y97 HydrophobicContact CD1-CD1 3.41Å; I75-Y97 VanDerWaalsContact CD1-CD1 3.41Å; I75-Y97 HydrophobicContact CD1-CE1 3.41Å; I75-Y97 VanDerWaalsContact CD1-CE1 3.41Å; I75-Y97 HydrophobicContact CD1-CG 4.31Å; I75-Y97 HydrophobicContact CG1-CD1 3.86Å; I75-Y97 HydrophobicContact CG1-CE1 4.05Å; I75-Y97 HydrophobicContact CG2-CD1 4.27Å; V93-Y97 PolarHBondContact O-N 3.13Å; A94-Y97 PolarHBondContact O-N 3.27Å; Y97-K99 VanDerWaalsContact C-N 3.34Å; Y97-K99 PolarHBondContact O-N 2.98Å; Y97-K100 HydrophobicContact CD2-CD 4.34Å; Y97-K100 HydrophobicContact CE2-CD 4.28Å; Y97-K100 WeakPolarHBondContact O-CB 3.5Å; Y97-K100 PolarHBondContact O-N 3.37Å; Y97-V101 PolarHBondContact O-N 3.42Å
98	R	98	Very high	98.1	Very high	48 Å²	48	68.2 Å²	68.2	18%	0.181	34%	0.341	C	S	.	.	H	α-helix	trans	-55.8	-48.8	172.7	-178.2	178.7	52.9	85.9	-3.9	111.1	I75 S76 E79 A94 A95 K100 V101 E102	I75-R98 HydrophobicContact CG2-CB 3.79Å; S76-R98 WeakPolarHBondContact OG-CD 3.45Å; E79-R98 IonicContact OE1-NH2 3.62Å; E79-R98 IonicContact OE2-CZ 3.3Å; E79-R98 IonicContact OE2-NE 2.7Å; E79-R98 PolarHBondContact OE2-NE 3Å; E79-R98 IonicContact OE2-NH2 3.28Å; E79-R98 PolarHBondContact OE2-NH2 3.01Å; A94-R98 WeakPolarHBondContact O-CB 3.21Å; A94-R98 PolarHBondContact O-N 3.48Å; A95-R98 PolarHBondContact O-N 3.02Å; R98-K100 VanDerWaalsContact C-N 3.31Å; R98-K100 PolarHBondContact O-N 3Å; R98-V101 PolarHBondContact O-N 2.83Å; R98-E102 HydrophobicContact CG-CG 4.36Å; R98-E102 WeakPolarHBondContact CG-OE1 3.43Å; R98-E102 IonicContact CZ-OE1 2.72Å; R98-E102 IonicContact NE-OE1 2.73Å; R98-E102 VanDerWaalsContact NH1-CD 3.26Å; R98-E102 IonicContact NH1-OE1 2.62Å; R98-E102 PolarHBondContact NH1-OE1 3.33Å; R98-E102 IonicContact NH1-OE2 3.09Å; R98-E102 PolarHBondContact NH1-OE2 3.33Å; R98-E102 VanDerWaalsContact NH1-OE2 3.12Å; R98-E102 WeakPolarHBondContact O-CG 3.38Å; R98-E102 PolarHBondContact O-N 2.7Å
99	K	98	Very high	98.2	Very high	120 Å²	120	63.5 Å²	63.5	52%	0.522	31%	0.312	S	S	.	.	H	α-helix	trans	-58.6	-40	178.8	-74.6	-176.8	176.5	-170.6	0	112.9	A95 T96 Y97 V101 E102 E103	A95-K99 WeakPolarHBondContact O-CG 3.32Å; A95-K99 PolarHBondContact O-N 3.49Å; A95-K99 VanDerWaalsContact O-N 3.13Å; T96-K99 PolarHBondContact O-N 3.34Å; Y97-K99 VanDerWaalsContact C-N 3.34Å; Y97-K99 PolarHBondContact O-N 2.98Å; K99-V101 VanDerWaalsContact C-N 3.32Å; K99-V101 PolarHBondContact O-N 2.97Å; K99-E102 WeakPolarHBondContact O-CB 3.43Å; K99-E102 PolarHBondContact O-N 3.45Å; K99-E103 WeakPolarHBondContact O-CG 3.37Å; K99-E103 PolarHBondContact O-N 2.69Å
100	K	98.3	Very high	98.2	Very high	106 Å²	106	60.3 Å²	60.3	46%	0.461	30%	0.298	S	S	.	.	H	α-helix	trans	-58.6	-45.1	173.7	-176.3	-171.6	174.3	-164.1	0	111.5	T96 Y97 R98 E102 E103 E104	T96-K100 PolarHBondContact O-N 3.15Å; Y97-K100 HydrophobicContact CD2-CD 4.34Å; Y97-K100 HydrophobicContact CE2-CD 4.28Å; Y97-K100 WeakPolarHBondContact O-CB 3.5Å; Y97-K100 PolarHBondContact O-N 3.37Å; R98-K100 VanDerWaalsContact C-N 3.31Å; R98-K100 PolarHBondContact O-N 3Å; K100-E102 VanDerWaalsContact C-N 3.33Å; K100-E103 PolarHBondContact O-N 2.95Å; K100-E104 VanDerWaalsContact CE-OE1 3.25Å; K100-E104 WeakPolarHBondContact CE-OE1 3.49Å; K100-E104 IonicContact NZ-OE1 2.81Å; K100-E104 WeakPolarHBondContact O-CG 3.23Å; K100-E104 PolarHBondContact O-N 2.96Å
101	V	98.4	Very high	98.2	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.024	29%	0.292	C	S	.	.	H	α-helix	trans	-67.5	-34.9	177.8	-179.9	0	0	0	0	111.5	R68 W72 I75 Y97 R98 K99 E104 L105	R68-V101 HydrophobicContact CB-CG1 4.16Å; R68-V101 HydrophobicContact CG-CG1 4.44Å; R68-V101 WeakPolarHBondContact O-CG1 3.5Å; W72-V101 HydrophobicContact CB-CG1 3.86Å; I75-V101 HydrophobicContact CD1-CB 4.47Å; I75-V101 HydrophobicContact CD1-CG2 3.63Å; Y97-V101 PolarHBondContact O-N 3.42Å; R98-V101 PolarHBondContact O-N 2.83Å; K99-V101 VanDerWaalsContact C-N 3.32Å; K99-V101 PolarHBondContact O-N 2.97Å; V101-E104 PolarHBondContact O-N 3.27Å; V101-L105 HydrophobicContact CG1-CD1 4.3Å; V101-L105 WeakPolarHBondContact O-CB 3.25Å; V101-L105 WeakPolarHBondContact O-CG 3.36Å; V101-L105 PolarHBondContact O-N 3.41Å
102	E	98.2	Very high	98.3	Very high	27 Å²	27	57 Å²	57	13%	0.126	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-40.8	173.3	-69.9	170.7	171.4	0	0	112.2	W72 R98 K99 K100 L105 N106 F147	W72-E102 VanDerWaalsContact CD1-CG 3.49Å; W72-E102 PolarHBondContact NE1-OE1 3.28Å; R98-E102 HydrophobicContact CG-CG 4.36Å; R98-E102 WeakPolarHBondContact CG-OE1 3.43Å; R98-E102 IonicContact CZ-OE1 2.72Å; R98-E102 IonicContact NE-OE1 2.73Å; R98-E102 VanDerWaalsContact NH1-CD 3.26Å; R98-E102 IonicContact NH1-OE1 2.62Å; R98-E102 PolarHBondContact NH1-OE1 3.33Å; R98-E102 IonicContact NH1-OE2 3.09Å; R98-E102 PolarHBondContact NH1-OE2 3.33Å; R98-E102 VanDerWaalsContact NH1-OE2 3.12Å; R98-E102 WeakPolarHBondContact O-CG 3.38Å; R98-E102 PolarHBondContact O-N 2.7Å; K99-E102 WeakPolarHBondContact O-CB 3.43Å; K99-E102 PolarHBondContact O-N 3.45Å; K100-E102 VanDerWaalsContact C-N 3.33Å; E102-L105 PolarHBondContact O-N 2.79Å; E102-N106 VanDerWaalsContact O-CB 3.28Å; E102-N106 WeakPolarHBondContact O-CB 3.5Å; E102-N106 PolarHBondContact O-N 2.92Å; E102-F147 HydrophobicContact CB-CD2 4.15Å; E102-F147 HydrophobicContact CG-CB 4.09Å; E102-F147 HydrophobicContact CG-CD2 4.12Å; E102-F147 HydrophobicContact CG-CG 4.31Å
103	E	98.1	Very high	98.3	Very high	128 Å²	128	53.1 Å²	53.1	60%	0.598	26%	0.261	S	S	*	.	H	α-helix	trans	-62.6	-45.8	174.1	-72.1	170.2	-171.3	0	0	111.3	K99 K100 N106 N107	K99-E103 WeakPolarHBondContact O-CG 3.37Å; K99-E103 PolarHBondContact O-N 2.69Å; K100-E103 PolarHBondContact O-N 2.95Å; E103-N106 PolarHBondContact O-N 3.46Å; E103-N107 WeakPolarHBondContact O-CB 3.31Å; E103-N107 PolarHBondContact O-N 2.82Å; E103-N107 PolarHBondContact O-ND2 3.03Å
104	E	98.3	Very high	98.3	Very high	63 Å²	63	52.2 Å²	52.2	29%	0.294	25%	0.254	S	S	.	.	H	α-helix	trans	-60.2	-45.2	174.7	-69.4	174.6	-163.4	0	0	111.8	R68 K100 V101 N107 I108	R68-E104 HydrophobicContact CG-CB 4.17Å; R68-E104 IonicContact NE-OE2 3.96Å; K100-E104 VanDerWaalsContact CE-OE1 3.25Å; K100-E104 WeakPolarHBondContact CE-OE1 3.49Å; K100-E104 IonicContact NZ-OE1 2.81Å; K100-E104 WeakPolarHBondContact O-CG 3.23Å; K100-E104 PolarHBondContact O-N 2.96Å; V101-E104 PolarHBondContact O-N 3.27Å; E104-N107 PolarHBondContact O-N 3.49Å; E104-I108 WeakPolarHBondContact O-CG1 3.49Å; E104-I108 PolarHBondContact O-N 2.79Å; E104-I108 VanDerWaalsContact O-N 3.12Å
105	L	98	Very high	98.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-49.1	175.5	-82.2	171.1	0	0	0	112.2	V65 R68 R69 W72 V101 E102 N107 I108 C109 F147	V65-L105 HydrophobicContact CG2-CD2 3.68Å; R68-L105 HydrophobicContact CB-CD1 4.4Å; R68-L105 HydrophobicContact CB-CD2 3.33Å; R68-L105 HydrophobicContact CB-CG 3.58Å; R68-L105 HydrophobicContact CG-CD2 4.49Å; R69-L105 HydrophobicContact CB-CD2 4.49Å; R69-L105 HydrophobicContact CG-CD1 4.42Å; R69-L105 HydrophobicContact CG-CD2 3.69Å; W72-L105 HydrophobicContact CB-CD1 3.83Å; W72-L105 HydrophobicContact CG-CD1 4.11Å; V101-L105 HydrophobicContact CG1-CD1 4.3Å; V101-L105 WeakPolarHBondContact O-CB 3.25Å; V101-L105 WeakPolarHBondContact O-CG 3.36Å; V101-L105 PolarHBondContact O-N 3.41Å; E102-L105 PolarHBondContact O-N 2.79Å; L105-N107 VanDerWaalsContact C-N 3.31Å; L105-N107 PolarHBondContact O-N 3.41Å; L105-I108 PolarHBondContact O-N 2.87Å; L105-C109 WeakPolarHBondContact O-CB 3.37Å; L105-C109 PolarHBondContact O-N 3.43Å; L105-C109 PolarHBondContact O-SG 3.44Å; L105-F147 HydrophobicContact CB-CD1 4.36Å; L105-F147 HydrophobicContact CB-CE1 3.78Å; L105-F147 HydrophobicContact CB-CZ 3.99Å; L105-F147 HydrophobicContact CD1-CD1 4Å; L105-F147 HydrophobicContact CD1-CE1 4.23Å
106	N	98	Very high	98.3	Very high	54 Å²	54	51.4 Å²	51.4	29%	0.289	25%	0.246	S	C	.	.	H	α-helix	trans	-62.1	-42.7	-178.7	-176.3	63.6	0	0	0	110.5	E102 E103 I108 C109 Q110 F147	E102-N106 VanDerWaalsContact O-CB 3.28Å; E102-N106 WeakPolarHBondContact O-CB 3.5Å; E102-N106 PolarHBondContact O-N 2.92Å; E103-N106 PolarHBondContact O-N 3.46Å; N106-I108 PolarHBondContact O-N 2.85Å; N106-C109 PolarHBondContact O-N 3.02Å; N106-Q110 WeakPolarHBondContact O-CB 3.31Å; N106-Q110 WeakPolarHBondContact O-CG 3.38Å; N106-Q110 PolarHBondContact O-N 2.88Å; N106-F147 HydrophobicContact CB-CE2 4.12Å; N106-F147 HydrophobicContact CB-CZ 4.07Å
107	N	98.4	Very high	98.2	Very high	95 Å²	95	49.4 Å²	49.4	51%	0.508	23%	0.234	S	C	.	.	H	α-helix	trans	-58.8	-50.5	176.9	-68.6	-21.4	0	0	0	111.5	E103 E104 L105 C109 Q110 D111	E103-N107 WeakPolarHBondContact O-CB 3.31Å; E103-N107 PolarHBondContact O-N 2.82Å; E103-N107 PolarHBondContact O-ND2 3.03Å; E104-N107 PolarHBondContact O-N 3.49Å; L105-N107 VanDerWaalsContact C-N 3.31Å; L105-N107 PolarHBondContact O-N 3.41Å; N107-C109 VanDerWaalsContact C-N 3.3Å; N107-C109 PolarHBondContact O-N 3.3Å; N107-Q110 PolarHBondContact O-N 3.4Å; N107-D111 VanDerWaalsContact O-CB 3.32Å; N107-D111 WeakPolarHBondContact O-CB 3.04Å; N107-D111 PolarHBondContact O-N 3.02Å
108	I	98.4	Very high	98	Very high	21 Å²	21	50 Å²	50	11%	0.108	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-41.8	178.2	-63.4	165.8	0	0	0	111.2	Y61 A64 V65 R68 E104 L105 N106 D111 I112	Y61-I108 HydrophobicContact CD1-CG2 3.92Å; Y61-I108 HydrophobicContact CE1-CG2 4.46Å; A64-I108 HydrophobicContact CB-CD1 4.48Å; A64-I108 HydrophobicContact CB-CG2 4.39Å; V65-I108 HydrophobicContact CB-CG2 4.13Å; R68-I108 HydrophobicContact CG-CD1 4.36Å; E104-I108 WeakPolarHBondContact O-CG1 3.49Å; E104-I108 PolarHBondContact O-N 2.79Å; E104-I108 VanDerWaalsContact O-N 3.12Å; L105-I108 PolarHBondContact O-N 2.87Å; N106-I108 PolarHBondContact O-N 2.85Å; I108-D111 WeakPolarHBondContact O-CB 3.39Å; I108-I112 WeakPolarHBondContact O-CG2 3.14Å; I108-I112 PolarHBondContact O-N 3.35Å
109	C	98.6	Very high	97.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68	-46.7	178.8	-63.8	0	0	0	0	111.7	L105 N106 N107 D111 I112 L113 Y140 I144	L105-C109 WeakPolarHBondContact O-CB 3.37Å; L105-C109 PolarHBondContact O-N 3.43Å; L105-C109 PolarHBondContact O-SG 3.44Å; N106-C109 PolarHBondContact O-N 3.02Å; N107-C109 VanDerWaalsContact C-N 3.3Å; N107-C109 PolarHBondContact O-N 3.3Å; C109-D111 PolarHBondContact O-N 3.31Å; C109-I112 WeakPolarHBondContact O-CG2 3.34Å; C109-I112 PolarHBondContact O-N 2.8Å; C109-L113 VanDerWaalsContact O-CB 3.28Å; C109-L113 WeakPolarHBondContact O-CB 3.01Å; C109-L113 WeakPolarHBondContact O-CG 3.46Å; C109-L113 PolarHBondContact O-N 3.4Å; C109-Y140 HydrophobicContact CB-CD1 4.28Å; C109-I144 HydrophobicContact CB-CD1 3.73Å; C109-I144 HydrophobicContact CB-CG1 3.69Å
110	Q	98.3	Very high	97.7	Very high	69 Å²	69	44.7 Å²	44.7	32%	0.322	22%	0.218	S	C	.	.	H	α-helix	trans	-62.8	-35.3	179.2	-69.5	-59.1	-25	0	0	111.7	N106 N107 L113 N114	N106-Q110 WeakPolarHBondContact O-CB 3.31Å; N106-Q110 WeakPolarHBondContact O-CG 3.38Å; N106-Q110 PolarHBondContact O-N 2.88Å; N107-Q110 PolarHBondContact O-N 3.4Å; Q110-L113 PolarHBondContact O-N 3.28Å; Q110-N114 VanDerWaalsContact O-CB 3.31Å; Q110-N114 WeakPolarHBondContact O-CB 3.42Å; Q110-N114 VanDerWaalsContact O-CG 3.29Å; Q110-N114 PolarHBondContact O-N 3.4Å; Q110-N114 PolarHBondContact O-ND2 3.08Å
111	D	98.3	Very high	97.6	Very high	47 Å²	47	40.5 Å²	40.5	25%	0.251	20%	0.2	S	C	.	.	H	α-helix	trans	-58.9	-56	176.6	-76.7	-32.5	0	0	0	112.6	R35 Y61 N107 I108 C109 L113 N114 L115	R35-D111 VanDerWaalsContact CZ-CG 3.44Å; R35-D111 IonicContact CZ-OD1 3.23Å; R35-D111 IonicContact CZ-OD2 3.32Å; R35-D111 IonicContact NH1-OD1 3.45Å; R35-D111 PolarHBondContact NH1-OD1 3.33Å; R35-D111 IonicContact NH1-OD2 2.97Å; R35-D111 PolarHBondContact NH1-OD2 3.43Å; R35-D111 VanDerWaalsContact NH2-CB 3.32Å; R35-D111 IonicContact NH2-OD1 2.72Å; R35-D111 IonicContact NH2-OD2 3.3Å; R35-D111 PolarHBondContact NH2-OD2 2.62Å; Y61-D111 HydrophobicContact CE1-CB 4.02Å; N107-D111 VanDerWaalsContact O-CB 3.32Å; N107-D111 WeakPolarHBondContact O-CB 3.04Å; N107-D111 PolarHBondContact O-N 3.02Å; I108-D111 WeakPolarHBondContact O-CB 3.39Å; C109-D111 PolarHBondContact O-N 3.31Å; D111-L113 PolarHBondContact O-N 3.35Å; D111-N114 WeakPolarHBondContact O-CB 3.38Å; D111-N114 PolarHBondContact O-N 3.24Å; D111-L115 PolarHBondContact O-N 3.44Å; D111-L115 VanDerWaalsContact O-N 3.17Å
112	I	98.6	Very high	97.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.6	-36.9	178.1	-175.8	58.4	0	0	0	112.1	L57 Y61 I108 C109 N114 L115 L116 M136 Y140	L57-I112 HydrophobicContact CD1-CD1 4.14Å; L57-I112 HydrophobicContact CD2-CD1 4.12Å; L57-I112 HydrophobicContact CG-CD1 4.14Å; Y61-I112 HydrophobicContact CD1-CB 3.65Å; Y61-I112 HydrophobicContact CD1-CG1 4.4Å; Y61-I112 HydrophobicContact CD1-CG2 4.1Å; Y61-I112 HydrophobicContact CD2-CB 4.34Å; Y61-I112 HydrophobicContact CD2-CD1 3.88Å; Y61-I112 HydrophobicContact CD2-CG1 4.34Å; Y61-I112 HydrophobicContact CE1-CB 3.76Å; Y61-I112 HydrophobicContact CE1-CG2 4.47Å; Y61-I112 HydrophobicContact CE2-CB 4.43Å; Y61-I112 HydrophobicContact CE2-CD1 4.02Å; Y61-I112 HydrophobicContact CG-CB 3.94Å; Y61-I112 HydrophobicContact CG-CD1 4.24Å; Y61-I112 HydrophobicContact CG-CG1 4.18Å; I108-I112 WeakPolarHBondContact O-CG2 3.14Å; I108-I112 PolarHBondContact O-N 3.35Å; C109-I112 WeakPolarHBondContact O-CG2 3.34Å; C109-I112 PolarHBondContact O-N 2.8Å; I112-N114 VanDerWaalsContact C-N 3.26Å; I112-N114 PolarHBondContact O-N 3.49Å; I112-L115 HydrophobicContact CD1-CB 4.49Å; I112-L115 HydrophobicContact CD1-CD1 4.4Å; I112-L115 PolarHBondContact O-N 3.37Å; I112-L116 HydrophobicContact CD1-CD1 4.4Å; I112-L116 HydrophobicContact CD1-CG 4.15Å; I112-L116 HydrophobicContact CG1-CD1 3.89Å; I112-L116 HydrophobicContact CG1-CG 4.15Å; I112-L116 WeakPolarHBondContact O-CB 3.44Å; I112-L116 VanDerWaalsContact O-CG 3.23Å; I112-L116 WeakPolarHBondContact O-CG 3.23Å; I112-L116 PolarHBondContact O-N 2.7Å; I112-M136 HydrophobicContact CD1-CE 4.03Å; I112-M136 HydrophobicContact CG1-CE 4.07Å; I112-Y140 HydrophobicContact CB-CD2 4.48Å; I112-Y140 HydrophobicContact CB-CE2 4.42Å; I112-Y140 HydrophobicContact CG1-CD2 4.09Å; I112-Y140 HydrophobicContact CG1-CE2 3.85Å; I112-Y140 HydrophobicContact CG2-CD1 3.43Å; I112-Y140 VanDerWaalsContact CG2-CD1 3.43Å; I112-Y140 HydrophobicContact CG2-CD2 3.52Å; I112-Y140 HydrophobicContact CG2-CE1 3.62Å; I112-Y140 HydrophobicContact CG2-CE2 3.75Å; I112-Y140 HydrophobicContact CG2-CG 3.41Å; I112-Y140 VanDerWaalsContact CG2-CG 3.41Å
113	L	98.7	Very high	97	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-37	175.8	-74.7	174.5	0	0	0	112.1	C109 Q110 D111 T117 K137 Y141 I144	C109-L113 VanDerWaalsContact O-CB 3.28Å; C109-L113 WeakPolarHBondContact O-CB 3.01Å; C109-L113 WeakPolarHBondContact O-CG 3.46Å; C109-L113 PolarHBondContact O-N 3.4Å; Q110-L113 PolarHBondContact O-N 3.28Å; D111-L113 PolarHBondContact O-N 3.35Å; L113-T117 VanDerWaalsContact O-CB 3.24Å; L113-T117 WeakPolarHBondContact O-CB 3.36Å; L113-T117 PolarHBondContact O-N 3.01Å; L113-T117 PolarHBondContact O-OG1 3.24Å; L113-K137 HydrophobicContact CD2-CB 4.44Å; L113-K137 HydrophobicContact CD2-CG 3.86Å; L113-Y141 HydrophobicContact CD1-CD1 3.96Å; L113-Y141 HydrophobicContact CD1-CD2 4.4Å; L113-Y141 HydrophobicContact CD1-CE1 3.71Å; L113-Y141 HydrophobicContact CD1-CE2 4.15Å; L113-Y141 HydrophobicContact CD1-CG 4.29Å; L113-Y141 HydrophobicContact CD2-CD2 3.73Å; L113-Y141 HydrophobicContact CD2-CE2 3.53Å; L113-Y141 HydrophobicContact CD2-CG 4.33Å; L113-Y141 HydrophobicContact CG-CE2 4.44Å; L113-I144 HydrophobicContact CD1-CD1 3.53Å
114	N	98.3	Very high	96.7	Very high	62 Å²	62	39.1 Å²	39.1	33%	0.332	20%	0.203	S	C	.	.	H	α-helix	trans	-65.2	-47	173.8	-84.3	-56	0	0	0	111.7	Q110 D111 I112 T117 K118	Q110-N114 VanDerWaalsContact O-CB 3.31Å; Q110-N114 WeakPolarHBondContact O-CB 3.42Å; Q110-N114 VanDerWaalsContact O-CG 3.29Å; Q110-N114 PolarHBondContact O-N 3.4Å; Q110-N114 PolarHBondContact O-ND2 3.08Å; D111-N114 WeakPolarHBondContact O-CB 3.38Å; D111-N114 PolarHBondContact O-N 3.24Å; I112-N114 VanDerWaalsContact C-N 3.26Å; I112-N114 PolarHBondContact O-N 3.49Å; N114-T117 PolarHBondContact O-N 2.89Å; N114-K118 VanDerWaalsContact O-CB 3.24Å; N114-K118 WeakPolarHBondContact O-CB 3.41Å; N114-K118 WeakPolarHBondContact O-CG 3.29Å; N114-K118 PolarHBondContact O-N 3.18Å; N114-K118 WeakPolarHBondContact OD1-CE 3.49Å; N114-K118 PolarHBondContact OD1-NZ 3.37Å
115	L	97.7	Very high	96.4	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-60.2	-47	176.3	-63.6	179.4	0	0	0	111.4	R35 V38 E39 L57 Y61 D111 I112 K119 L120	R35-L115 HydrophobicContact CB-CD1 4.17Å; R35-L115 HydrophobicContact CG-CD1 4.12Å; R35-L115 HydrophobicContact CG-CD2 4.17Å; V38-L115 HydrophobicContact CB-CD2 4.22Å; V38-L115 HydrophobicContact CG1-CB 4.3Å; V38-L115 HydrophobicContact CG1-CD2 3.94Å; E39-L115 HydrophobicContact CG-CD2 3.69Å; L57-L115 HydrophobicContact CD1-CD1 4.39Å; Y61-L115 HydrophobicContact CE2-CD1 4.2Å; D111-L115 PolarHBondContact O-N 3.44Å; D111-L115 VanDerWaalsContact O-N 3.17Å; I112-L115 HydrophobicContact CD1-CB 4.49Å; I112-L115 HydrophobicContact CD1-CD1 4.4Å; I112-L115 PolarHBondContact O-N 3.37Å; L115-K119 WeakPolarHBondContact O-CA 3.28Å; L115-K119 WeakPolarHBondContact O-CB 3.26Å; L115-K119 PolarHBondContact O-N 2.89Å; L115-L120 PolarHBondContact O-N 3.39Å
116	L	98.1	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	I	π-helix	trans	-59.9	-50.4	179	-70.2	168.9	0	0	0	111.3	I112 L120 I121 Y133 M136 K137	I112-L116 HydrophobicContact CD1-CD1 4.4Å; I112-L116 HydrophobicContact CD1-CG 4.15Å; I112-L116 HydrophobicContact CG1-CD1 3.89Å; I112-L116 HydrophobicContact CG1-CG 4.15Å; I112-L116 WeakPolarHBondContact O-CB 3.44Å; I112-L116 VanDerWaalsContact O-CG 3.23Å; I112-L116 WeakPolarHBondContact O-CG 3.23Å; I112-L116 PolarHBondContact O-N 2.7Å; L116-L120 HydrophobicContact CD2-CD1 3.96Å; L116-L120 PolarHBondContact O-N 3.24Å; L116-I121 HydrophobicContact CB-CD1 4.17Å; L116-I121 VanDerWaalsContact O-CB 3.27Å; L116-I121 WeakPolarHBondContact O-CB 3.29Å; L116-I121 WeakPolarHBondContact O-CG1 3.29Å; L116-I121 PolarHBondContact O-N 3.11Å; L116-Y133 HydrophobicContact CD2-CD1 3.69Å; L116-Y133 HydrophobicContact CD2-CG 4Å; L116-M136 HydrophobicContact CD1-CB 3.96Å; L116-M136 HydrophobicContact CD2-CB 4.38Å; L116-K137 HydrophobicContact CD1-CB 4.12Å
117	T	97.1	Very high	96	Very high	59 Å²	59	43.2 Å²	43.2	36%	0.362	23%	0.233	S	C	.	.	I	π-helix	trans	-76.8	-35.5	-172.1	-57.4	0	0	0	0	112.9	L113 N114 P122 K137	L113-T117 VanDerWaalsContact O-CB 3.24Å; L113-T117 WeakPolarHBondContact O-CB 3.36Å; L113-T117 PolarHBondContact O-N 3.01Å; L113-T117 PolarHBondContact O-OG1 3.24Å; N114-T117 PolarHBondContact O-N 2.89Å; T117-P122 WeakPolarHBondContact O-CD 3.34Å; T117-P122 WeakPolarHBondContact O-CG 3.42Å; T117-K137 PolarHBondContact OG1-NZ 3.47Å
118	K	94.8	Very high	95.9	Very high	140 Å²	140	40.8 Å²	40.8	61%	0.609	22%	0.219	S	C	*	.	I	π-helix	trans	-94.4	-24.6	-174	-63.3	175	175.9	161.3	0	113.9	N114	N114-K118 VanDerWaalsContact O-CB 3.24Å; N114-K118 WeakPolarHBondContact O-CB 3.41Å; N114-K118 WeakPolarHBondContact O-CG 3.29Å; N114-K118 PolarHBondContact O-N 3.18Å; N114-K118 WeakPolarHBondContact OD1-CE 3.49Å; N114-K118 PolarHBondContact OD1-NZ 3.37Å
119	K	94.2	Very high	95.9	Very high	50 Å²	50	39.9 Å²	39.9	22%	0.217	21%	0.214	C	C	.	.	I	π-helix	trans	-127.1	-48.3	-169.9	-67.9	-71.2	-160.4	145.2	0	113.8	V38 E39 V42 L115 N123	V38-K119 HydrophobicContact CG1-CB 3.89Å; V38-K119 HydrophobicContact CG1-CG 4.4Å; E39-K119 PolarHBondContact O-NZ 3.36Å; V42-K119 PolarHBondContact O-NZ 3.4Å; L115-K119 WeakPolarHBondContact O-CA 3.28Å; L115-K119 WeakPolarHBondContact O-CB 3.26Å; L115-K119 PolarHBondContact O-N 2.89Å; K119-N123 VanDerWaalsContact O-CB 3.29Å; K119-N123 WeakPolarHBondContact O-CB 3.25Å; K119-N123 PolarHBondContact O-ND2 3.03Å
120	L	95.9	Very high	95.8	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.026	23%	0.227	C	C	.	.	I	π-helix	trans	-85.4	-53.8	-168.8	-60.2	170.8	0	0	0	112.8	V38 V42 L49 L57 L115 L116 N123 T124 Y133	V38-L120 HydrophobicContact CG1-CD1 4.46Å; V38-L120 HydrophobicContact CG1-CD2 3.87Å; V38-L120 HydrophobicContact CG1-CG 4.05Å; V38-L120 HydrophobicContact CG2-CD2 4.21Å; V42-L120 HydrophobicContact CG1-CD2 4.49Å; L49-L120 HydrophobicContact CD1-CD1 4.45Å; L49-L120 HydrophobicContact CD1-CD2 3.67Å; L49-L120 HydrophobicContact CG-CD2 3.88Å; L57-L120 HydrophobicContact CD2-CD1 3.54Å; L115-L120 PolarHBondContact O-N 3.39Å; L116-L120 HydrophobicContact CD2-CD1 3.96Å; L116-L120 PolarHBondContact O-N 3.24Å; L120-N123 PolarHBondContact O-N 2.97Å; L120-T124 WeakPolarHBondContact O-CB 3.23Å; L120-T124 WeakPolarHBondContact O-CG2 3.25Å; L120-T124 PolarHBondContact O-N 3.48Å; L120-T124 VanDerWaalsContact O-N 3.09Å; L120-Y133 HydrophobicContact CB-CD1 4.29Å; L120-Y133 HydrophobicContact CB-CD2 3.99Å; L120-Y133 HydrophobicContact CB-CE1 4.29Å; L120-Y133 HydrophobicContact CB-CE2 4.02Å; L120-Y133 HydrophobicContact CB-CG 4.18Å; L120-Y133 HydrophobicContact CD1-CD1 4.24Å; L120-Y133 HydrophobicContact CD1-CE1 4.02Å
121	I	95.8	Very high	95.8	Very high	19 Å²	19	39.6 Å²	39.6	10%	0.097	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-45	-178.4	-67.2	169.9	0	0	0	112.2	L116 N123 Y134 K137	L116-I121 HydrophobicContact CB-CD1 4.17Å; L116-I121 VanDerWaalsContact O-CB 3.27Å; L116-I121 WeakPolarHBondContact O-CB 3.29Å; L116-I121 WeakPolarHBondContact O-CG1 3.29Å; L116-I121 PolarHBondContact O-N 3.11Å; I121-N123 VanDerWaalsContact C-N 3.31Å; I121-N123 PolarHBondContact O-N 3.43Å; I121-Y134 HydrophobicContact CD1-CD1 4.03Å; I121-Y134 HydrophobicContact CD1-CE1 4.04Å; I121-Y134 HydrophobicContact CD1-CG 4.42Å; I121-Y134 HydrophobicContact CG2-CE1 4.03Å; I121-Y134 HydrophobicContact CG2-CE2 3.75Å; I121-Y134 VanDerWaalsContact CG2-CZ 3.44Å; I121-Y134 WeakPolarHBondContact CG2-OH 3.44Å; I121-K137 HydrophobicContact CD1-CB 4.46Å; I121-K137 HydrophobicContact CD1-CD 3.86Å
122	P	93	Very high	95.8	Very high	82 Å²	82	38.5 Å²	38.5	53%	0.532	21%	0.205	S	C	.	.	H	α-helix	trans	-68.8	-26.6	-178.7	-22.5	35.4	0	0	0	114.5	T117	T117-P122 WeakPolarHBondContact O-CD 3.34Å; T117-P122 WeakPolarHBondContact O-CG 3.42Å
123	N	91	Very high	95.8	Very high	39 Å²	39	38.6 Å²	38.6	21%	0.209	21%	0.205	C	C	.	.	H	α-helix	trans	-108.1	-2.2	-170.1	-60.5	-39.3	0	0	0	113.7	N44 K119 L120 I121	N44-N123 WeakPolarHBondContact CA-OD1 3.4Å; N44-N123 PolarHBondContact OD1-ND2 3.16Å; N44-N123 PolarHBondContact OD1-OD1 3.23Å; K119-N123 VanDerWaalsContact O-CB 3.29Å; K119-N123 WeakPolarHBondContact O-CB 3.25Å; K119-N123 PolarHBondContact O-ND2 3.03Å; L120-N123 PolarHBondContact O-N 2.97Å; I121-N123 VanDerWaalsContact C-N 3.31Å; I121-N123 PolarHBondContact O-N 3.43Å
124	T	91.9	Very high	95.9	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.055	21%	0.212	C	C	.	.			trans	-89	135.4	175.4	-164.2	0	0	0	0	110.6	E48 L120 S129 K130 Y133	E48-T124 WeakPolarHBondContact OE2-CA 3.31Å; E48-T124 WeakPolarHBondContact OE2-CB 3.36Å; E48-T124 PolarHBondContact OE2-OG1 2.72Å; L120-T124 WeakPolarHBondContact O-CB 3.23Å; L120-T124 WeakPolarHBondContact O-CG2 3.25Å; L120-T124 PolarHBondContact O-N 3.48Å; L120-T124 VanDerWaalsContact O-N 3.09Å; T124-S129 WeakPolarHBondContact OG1-CB 3.48Å; T124-K130 HydrophobicContact CG2-CB 4.41Å; T124-K130 HydrophobicContact CG2-CG 3.45Å; T124-K130 VanDerWaalsContact CG2-CG 3.45Å; T124-K130 WeakPolarHBondContact O-CE 3.5Å; T124-Y133 HydrophobicContact CG2-CD2 3.8Å; T124-Y133 HydrophobicContact CG2-CE2 3.92Å
125	S	90.7	Very high	95.9	Very high	85 Å²	85	39 Å²	39	59%	0.594	20%	0.203	S	C	*	.			trans	-97.6	-35.9	179	59.8	0	0	0	0	112.3	E48 K130	E48-S125 WeakPolarHBondContact OE1-CB 3.4Å; E48-S125 PolarHBondContact OE1-N 3.29Å; E48-S125 PolarHBondContact OE1-OG 3.36Å; E48-S125 PolarHBondContact OE2-N 2.97Å; S125-K130 WeakPolarHBondContact O-CE 3.32Å; S125-K130 PolarHBondContact O-NZ 3.43Å
126	E	92.9	Very high	95.9	Very high	84 Å²	84	39.1 Å²	39.1	39%	0.393	20%	0.204	S	C	.	.			trans	-66.3	129.9	-175.9	-175.7	-174.3	-142.3	0	0	113.2	E128 S129 K130	E126-E128 HydrophobicContact CG-CB 4.14Å; E126-E128 PolarHBondContact O-N 2.95Å; E126-S129 PolarHBondContact O-N 3.22Å; E126-S129 WeakPolarHBondContact OE2-CB 3.46Å; E126-S129 PolarHBondContact OE2-OG 3.33Å; E126-K130 WeakPolarHBondContact O-CG 3.42Å; E126-K130 PolarHBondContact O-N 2.89Å
127	S	96	Very high	96	Very high	33 Å²	33	40.8 Å²	40.8	23%	0.231	21%	0.211	C	C	.	.	H	α-helix	trans	-59.2	-43	179.6	-58.7	0	0	0	0	112.3	S129 K130 V131 E174	S127-S129 PolarHBondContact O-N 2.89Å; S127-K130 WeakPolarHBondContact O-CB 3.43Å; S127-K130 PolarHBondContact O-N 2.88Å; S127-V131 WeakPolarHBondContact O-CG2 3.14Å; S127-V131 PolarHBondContact O-N 3.08Å; S127-E174 PolarHBondContact OG-OE2 3.32Å
128	E	96.5	Very high	96	Very high	45 Å²	45	38 Å²	38	21%	0.21	19%	0.194	C	C	.	.	H	α-helix	trans	-58.7	-50.7	178.4	-171.8	-168.1	128.4	0	0	111.9	R54 E126 K130 V131 F132 L175 H179 I181	R54-E128 IonicContact CZ-OE1 3.31Å; R54-E128 VanDerWaalsContact CZ-OE1 3.32Å; R54-E128 IonicContact NH1-OE1 2.88Å; R54-E128 PolarHBondContact NH1-OE1 2.86Å; R54-E128 IonicContact NH2-OE1 2.97Å; R54-E128 PolarHBondContact NH2-OE1 3.39Å; E126-E128 HydrophobicContact CG-CB 4.14Å; E126-E128 PolarHBondContact O-N 2.95Å; E128-K130 VanDerWaalsContact C-N 3.33Å; E128-K130 PolarHBondContact O-N 3.14Å; E128-V131 PolarHBondContact O-N 2.89Å; E128-F132 PolarHBondContact O-N 3.29Å; E128-L175 HydrophobicContact CB-CD2 4.3Å; E128-H179 IonicContact OE2-CE1 3.64Å; E128-H179 IonicContact OE2-NE2 2.72Å; E128-I181 HydrophobicContact CG-CD1 3.44Å; E128-I181 VanDerWaalsContact CG-CD1 3.44Å; E128-I181 WeakPolarHBondContact OE1-CD1 3.44Å
129	S	97	Very high	96.2	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-35.2	179.3	-71.6	0	0	0	0	112.2	R54 T124 E126 S127 F132 Y133	R54-S129 PolarHBondContact NH1-OG 2.63Å; R54-S129 VanDerWaalsContact NH1-OG 3.13Å; T124-S129 WeakPolarHBondContact OG1-CB 3.48Å; E126-S129 PolarHBondContact O-N 3.22Å; E126-S129 WeakPolarHBondContact OE2-CB 3.46Å; E126-S129 PolarHBondContact OE2-OG 3.33Å; S127-S129 PolarHBondContact O-N 2.89Å; S129-F132 WeakPolarHBondContact O-CB 3.26Å; S129-F132 PolarHBondContact O-N 3.02Å; S129-Y133 WeakPolarHBondContact O-CD2 3.4Å; S129-Y133 VanDerWaalsContact O-CG 3.25Å; S129-Y133 PolarHBondContact O-N 3.09Å
130	K	97.6	Very high	96.4	Very high	63 Å²	63	29.7 Å²	29.7	27%	0.274	16%	0.158	S	C	.	.	H	α-helix	trans	-59.6	-50.5	171	-72.9	174.4	-178.9	156.7	0	112.2	T124 S125 E126 S127 E128 F132 Y133 Y134 I170	T124-K130 HydrophobicContact CG2-CB 4.41Å; T124-K130 HydrophobicContact CG2-CG 3.45Å; T124-K130 VanDerWaalsContact CG2-CG 3.45Å; T124-K130 WeakPolarHBondContact O-CE 3.5Å; S125-K130 WeakPolarHBondContact O-CE 3.32Å; S125-K130 PolarHBondContact O-NZ 3.43Å; E126-K130 WeakPolarHBondContact O-CG 3.42Å; E126-K130 PolarHBondContact O-N 2.89Å; S127-K130 WeakPolarHBondContact O-CB 3.43Å; S127-K130 PolarHBondContact O-N 2.88Å; E128-K130 VanDerWaalsContact C-N 3.33Å; E128-K130 PolarHBondContact O-N 3.14Å; K130-F132 VanDerWaalsContact C-N 3.27Å; K130-F132 PolarHBondContact O-N 3.19Å; K130-Y133 PolarHBondContact O-N 3.05Å; K130-Y134 VanDerWaalsContact O-CD2 3.28Å; K130-Y134 WeakPolarHBondContact O-CD2 3.35Å; K130-Y134 PolarHBondContact O-N 2.82Å; K130-I170 HydrophobicContact CB-CD1 4.11Å
131	V	98.6	Very high	96.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59	-44.1	178.5	178.3	0	0	0	0	109.7	S127 E128 Y133 Y134 K135 A167 I170 A171 L175 I181 L185	S127-V131 WeakPolarHBondContact O-CG2 3.14Å; S127-V131 PolarHBondContact O-N 3.08Å; E128-V131 PolarHBondContact O-N 2.89Å; V131-Y133 PolarHBondContact O-N 2.8Å; V131-Y134 PolarHBondContact O-N 2.81Å; V131-K135 WeakPolarHBondContact O-CB 3.42Å; V131-K135 PolarHBondContact O-N 3.01Å; V131-A167 HydrophobicContact CG1-CB 4.36Å; V131-I170 HydrophobicContact CG2-CB 3.79Å; V131-I170 HydrophobicContact CG2-CG2 3.51Å; V131-A171 HydrophobicContact CG1-CB 3.86Å; V131-A171 HydrophobicContact CG2-CB 3.94Å; V131-L175 HydrophobicContact CB-CD1 4.12Å; V131-L175 HydrophobicContact CG1-CD1 4.17Å; V131-L175 HydrophobicContact CG2-CD1 3.91Å; V131-I181 HydrophobicContact CB-CG2 4.08Å; V131-I181 HydrophobicContact CG1-CG2 3.59Å; V131-L185 HydrophobicContact CG1-CD2 4.1Å
132	F	98.4	Very high	96.7	Very high	24 Å²	24	31.1 Å²	31.1	11%	0.105	16%	0.162	C	C	.	.	H	α-helix	trans	-57	-49.8	177.3	-169.3	-87.6	0	0	0	112.3	R54 E128 S129 K130 M136 I181	R54-F132 HydrophobicContact CG-CD1 3.52Å; R54-F132 HydrophobicContact CG-CE1 3.36Å; R54-F132 HydrophobicContact CG-CG 4.17Å; R54-F132 HydrophobicContact CG-CZ 3.9Å; E128-F132 PolarHBondContact O-N 3.29Å; S129-F132 WeakPolarHBondContact O-CB 3.26Å; S129-F132 PolarHBondContact O-N 3.02Å; K130-F132 VanDerWaalsContact C-N 3.27Å; K130-F132 PolarHBondContact O-N 3.19Å; F132-M136 HydrophobicContact CD1-CG 4.26Å; F132-M136 HydrophobicContact CD1-SD 3.68Å; F132-M136 HydrophobicContact CE1-CG 4.14Å; F132-M136 HydrophobicContact CE1-SD 3.26Å; F132-M136 WeakPolarHBondContact CE1-SD 3.43Å; F132-M136 HydrophobicContact CZ-SD 4.2Å; F132-M136 WeakPolarHBondContact O-CG 3.37Å; F132-M136 PolarHBondContact O-N 3.4Å; F132-I181 HydrophobicContact CB-CD1 4.34Å; F132-I181 HydrophobicContact CD2-CD1 3.81Å; F132-I181 HydrophobicContact CD2-CG1 4.17Å
133	Y	98.6	Very high	96.9	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-70.3	-39.6	-178.5	-62.1	-39.7	0	0	0	113.3	R54 L116 L120 T124 S129 K130 V131 M136 K137	R54-Y133 HydrophobicContact CG-CE1 3.9Å; L116-Y133 HydrophobicContact CD2-CD1 3.69Å; L116-Y133 HydrophobicContact CD2-CG 4Å; L120-Y133 HydrophobicContact CB-CD1 4.29Å; L120-Y133 HydrophobicContact CB-CD2 3.99Å; L120-Y133 HydrophobicContact CB-CE1 4.29Å; L120-Y133 HydrophobicContact CB-CE2 4.02Å; L120-Y133 HydrophobicContact CB-CG 4.18Å; L120-Y133 HydrophobicContact CD1-CD1 4.24Å; L120-Y133 HydrophobicContact CD1-CE1 4.02Å; T124-Y133 HydrophobicContact CG2-CD2 3.8Å; T124-Y133 HydrophobicContact CG2-CE2 3.92Å; S129-Y133 WeakPolarHBondContact O-CD2 3.4Å; S129-Y133 VanDerWaalsContact O-CG 3.25Å; S129-Y133 PolarHBondContact O-N 3.09Å; K130-Y133 PolarHBondContact O-N 3.05Å; V131-Y133 PolarHBondContact O-N 2.8Å; Y133-M136 PolarHBondContact O-N 3.2Å; Y133-K137 WeakPolarHBondContact O-CB 3.28Å; Y133-K137 PolarHBondContact O-N 2.99Å
134	Y	98.8	Very high	97.3	Very high	41 Å²	41	26.7 Å²	26.7	16%	0.161	13%	0.132	C	C	.	.	H	α-helix	trans	-67.1	-40.1	175.3	-83.7	-66.8	0	0	0	111.9	I121 K130 V131 K137 G138 K166 I170	I121-Y134 HydrophobicContact CD1-CD1 4.03Å; I121-Y134 HydrophobicContact CD1-CE1 4.04Å; I121-Y134 HydrophobicContact CD1-CG 4.42Å; I121-Y134 HydrophobicContact CG2-CE1 4.03Å; I121-Y134 HydrophobicContact CG2-CE2 3.75Å; I121-Y134 VanDerWaalsContact CG2-CZ 3.44Å; I121-Y134 WeakPolarHBondContact CG2-OH 3.44Å; K130-Y134 VanDerWaalsContact O-CD2 3.28Å; K130-Y134 WeakPolarHBondContact O-CD2 3.35Å; K130-Y134 PolarHBondContact O-N 2.82Å; V131-Y134 PolarHBondContact O-N 2.81Å; Y134-K137 WeakPolarHBondContact O-CB 3.42Å; Y134-K137 PolarHBondContact O-N 3.17Å; Y134-G138 PolarHBondContact O-N 3.03Å; Y134-K166 HydrophobicContact CD1-CB 4.01Å; Y134-K166 HydrophobicContact CD1-CD 4.26Å; Y134-K166 HydrophobicContact CE1-CB 4.11Å; Y134-K166 HydrophobicContact CE1-CD 3.64Å; Y134-K166 HydrophobicContact CG-CB 4.23Å; Y134-I170 HydrophobicContact CD2-CD1 4.12Å; Y134-I170 HydrophobicContact CE2-CD1 4.17Å
135	K	98.7	Very high	97.6	Very high	32 Å²	32	26.3 Å²	26.3	14%	0.139	13%	0.13	C	C	.	.	H	α-helix	trans	-57.3	-49.9	171.2	179.7	-168.5	171.6	-65.4	0	110.9	V131 K137 G138 D139 G184 L185 N188	V131-K135 WeakPolarHBondContact O-CB 3.42Å; V131-K135 PolarHBondContact O-N 3.01Å; K135-K137 VanDerWaalsContact C-N 3.32Å; K135-K137 PolarHBondContact O-N 3.35Å; K135-G138 PolarHBondContact O-N 3.11Å; K135-D139 IonicContact NZ-OD2 2.69Å; K135-D139 PolarHBondContact NZ-OD2 3.23Å; K135-D139 PolarHBondContact O-N 3.46Å; K135-G184 WeakPolarHBondContact CE-O 3.4Å; K135-L185 HydrophobicContact CB-CD1 4.09Å; K135-L185 HydrophobicContact CD-CB 4.11Å; K135-L185 HydrophobicContact CG-CB 4.32Å; K135-L185 HydrophobicContact CG-CD1 4.03Å; K135-N188 PolarHBondContact NZ-ND2 3.39Å
136	M	98.6	Very high	97.8	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.039	11%	0.109	C	C	.	.	H	α-helix	trans	-57.4	-45.4	175.7	-75.9	-177.7	73.2	0	0	111.4	I112 L116 F132 Y133 G138 D139 Y140	I112-M136 HydrophobicContact CD1-CE 4.03Å; I112-M136 HydrophobicContact CG1-CE 4.07Å; L116-M136 HydrophobicContact CD1-CB 3.96Å; L116-M136 HydrophobicContact CD2-CB 4.38Å; F132-M136 HydrophobicContact CD1-CG 4.26Å; F132-M136 HydrophobicContact CD1-SD 3.68Å; F132-M136 HydrophobicContact CE1-CG 4.14Å; F132-M136 HydrophobicContact CE1-SD 3.26Å; F132-M136 WeakPolarHBondContact CE1-SD 3.43Å; F132-M136 HydrophobicContact CZ-SD 4.2Å; F132-M136 WeakPolarHBondContact O-CG 3.37Å; F132-M136 PolarHBondContact O-N 3.4Å; Y133-M136 PolarHBondContact O-N 3.2Å; M136-G138 VanDerWaalsContact C-N 3.29Å; M136-G138 PolarHBondContact O-N 3.4Å; M136-D139 WeakPolarHBondContact O-CB 3.46Å; M136-D139 PolarHBondContact O-N 3.41Å; M136-D139 VanDerWaalsContact O-N 3.08Å; M136-Y140 HydrophobicContact CB-CE2 4.45Å; M136-Y140 HydrophobicContact CE-CE2 3.93Å; M136-Y140 WeakPolarHBondContact O-CD2 3.44Å; M136-Y140 PolarHBondContact O-N 3.38Å
137	K	98.8	Very high	97.9	Very high	35 Å²	35	20.7 Å²	20.7	15%	0.152	9%	0.094	C	C	.	.	H	α-helix	trans	-56.2	-45.1	176.9	-176.8	174.3	178.7	172.7	0	111.1	L113 L116 T117 I121 Y133 Y134 K135 Y140 Y141 A163	L113-K137 HydrophobicContact CD2-CB 4.44Å; L113-K137 HydrophobicContact CD2-CG 3.86Å; L116-K137 HydrophobicContact CD1-CB 4.12Å; T117-K137 PolarHBondContact OG1-NZ 3.47Å; I121-K137 HydrophobicContact CD1-CB 4.46Å; I121-K137 HydrophobicContact CD1-CD 3.86Å; Y133-K137 WeakPolarHBondContact O-CB 3.28Å; Y133-K137 PolarHBondContact O-N 2.99Å; Y134-K137 WeakPolarHBondContact O-CB 3.42Å; Y134-K137 PolarHBondContact O-N 3.17Å; K135-K137 VanDerWaalsContact C-N 3.32Å; K135-K137 PolarHBondContact O-N 3.35Å; K137-Y140 PolarHBondContact O-N 2.85Å; K137-Y141 HydrophobicContact CD-CE2 4.34Å; K137-Y141 HydrophobicContact CG-CD2 3.87Å; K137-Y141 HydrophobicContact CG-CE2 3.74Å; K137-Y141 VanDerWaalsContact O-CD2 3.23Å; K137-Y141 WeakPolarHBondContact O-CD2 3.32Å; K137-Y141 PolarHBondContact O-N 2.83Å; K137-Y141 VanDerWaalsContact O-N 3.11Å; K137-A163 HydrophobicContact CB-CB 4.01Å; K137-A163 HydrophobicContact CD-CB 4.14Å; K137-A163 HydrophobicContact CG-CB 3.84Å
138	G	98.8	Very high	97.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.2	-43.1	173.8	0	0	0	0	0	113.1	Y134 K135 M136 R142 Y164	Y134-G138 PolarHBondContact O-N 3.03Å; K135-G138 PolarHBondContact O-N 3.11Å; M136-G138 VanDerWaalsContact C-N 3.29Å; M136-G138 PolarHBondContact O-N 3.4Å; G138-R142 VanDerWaalsContact O-CB 3.29Å; G138-R142 WeakPolarHBondContact O-CB 3.42Å; G138-R142 PolarHBondContact O-N 3.22Å; G138-Y164 VanDerWaalsContact C-OH 3.29Å; G138-Y164 PolarHBondContact O-OH 3.2Å
139	D	98.7	Very high	97.6	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.043	11%	0.112	C	C	.	.	H	α-helix	trans	-60.8	-47.3	177.5	-81.9	-50.2	0	0	0	112.5	K135 M136 R142 Y143 Y164 N188	K135-D139 IonicContact NZ-OD2 2.69Å; K135-D139 PolarHBondContact NZ-OD2 3.23Å; K135-D139 PolarHBondContact O-N 3.46Å; M136-D139 WeakPolarHBondContact O-CB 3.46Å; M136-D139 PolarHBondContact O-N 3.41Å; M136-D139 VanDerWaalsContact O-N 3.08Å; D139-R142 WeakPolarHBondContact O-CB 3.31Å; D139-R142 PolarHBondContact O-N 3.37Å; D139-R142 IonicContact OD1-CZ 3.57Å; D139-R142 IonicContact OD1-NE 2.92Å; D139-R142 IonicContact OD1-NH2 3.87Å; D139-R142 PolarHBondContact OD1-NH2 3.21Å; D139-Y143 HydrophobicContact CB-CE2 4.33Å; D139-Y143 WeakPolarHBondContact O-CD1 3.28Å; D139-Y143 WeakPolarHBondContact O-CD2 3.22Å; D139-Y143 PolarHBondContact O-N 2.87Å; D139-Y164 VanDerWaalsContact CA-OH 3.28Å; D139-Y164 WeakPolarHBondContact CA-OH 3.5Å; D139-Y164 PolarHBondContact N-OH 2.86Å; D139-Y164 PolarHBondContact OD1-OH 3.34Å; D139-N188 WeakPolarHBondContact OD1-CB 3.43Å; D139-N188 PolarHBondContact OD1-ND2 2.98Å; D139-N188 PolarHBondContact OD2-ND2 2.99Å
140	Y	98.7	Very high	97.4	Very high	7 Å²	7	29.7 Å²	29.7	3%	0.027	15%	0.149	C	C	.	.	H	α-helix	trans	-71.6	-35.5	-178.9	-73.5	-77.7	0	0	0	113	Y61 K62 V65 C109 I112 M136 K137 Y143 I144	Y61-Y140 WeakPolarHBondContact CB-OH 3.39Å; Y61-Y140 PolarHBondContact O-OH 3.15Å; K62-Y140 PolarHBondContact N-OH 3.23Å; V65-Y140 HydrophobicContact CB-CE1 4.17Å; V65-Y140 HydrophobicContact CG1-CE1 3.9Å; V65-Y140 HydrophobicContact CG2-CE1 4.44Å; C109-Y140 HydrophobicContact CB-CD1 4.28Å; I112-Y140 HydrophobicContact CB-CD2 4.48Å; I112-Y140 HydrophobicContact CB-CE2 4.42Å; I112-Y140 HydrophobicContact CG1-CD2 4.09Å; I112-Y140 HydrophobicContact CG1-CE2 3.85Å; I112-Y140 HydrophobicContact CG2-CD1 3.43Å; I112-Y140 VanDerWaalsContact CG2-CD1 3.43Å; I112-Y140 HydrophobicContact CG2-CD2 3.52Å; I112-Y140 HydrophobicContact CG2-CE1 3.62Å; I112-Y140 HydrophobicContact CG2-CE2 3.75Å; I112-Y140 HydrophobicContact CG2-CG 3.41Å; I112-Y140 VanDerWaalsContact CG2-CG 3.41Å; M136-Y140 HydrophobicContact CB-CE2 4.45Å; M136-Y140 HydrophobicContact CE-CE2 3.93Å; M136-Y140 WeakPolarHBondContact O-CD2 3.44Å; M136-Y140 PolarHBondContact O-N 3.38Å; K137-Y140 PolarHBondContact O-N 2.85Å; Y140-Y143 AromaticContact CD1-CD2 3.84Å; Y140-Y143 HydrophobicContact CD1-CD2 3.84Å; Y140-Y143 HydrophobicContact CD1-CE2 4.21Å; Y140-Y143 HydrophobicContact CE1-CD2 4.18Å; Y140-Y143 HydrophobicContact CE1-CE2 4.2Å; Y140-Y143 HydrophobicContact CG-CD2 4.39Å; Y140-Y143 PolarHBondContact O-N 2.83Å; Y140-I144 WeakPolarHBondContact O-CG1 3.4Å; Y140-I144 PolarHBondContact O-N 3.3Å
141	Y	98.8	Very high	97.3	Very high	42 Å²	42	34.7 Å²	34.7	17%	0.165	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-38.2	170.4	-81.6	-61.7	0	0	0	112.3	L113 K137 Y143 I144 S145 A156 C159	L113-Y141 HydrophobicContact CD1-CD1 3.96Å; L113-Y141 HydrophobicContact CD1-CD2 4.4Å; L113-Y141 HydrophobicContact CD1-CE1 3.71Å; L113-Y141 HydrophobicContact CD1-CE2 4.15Å; L113-Y141 HydrophobicContact CD1-CG 4.29Å; L113-Y141 HydrophobicContact CD2-CD2 3.73Å; L113-Y141 HydrophobicContact CD2-CE2 3.53Å; L113-Y141 HydrophobicContact CD2-CG 4.33Å; L113-Y141 HydrophobicContact CG-CE2 4.44Å; K137-Y141 HydrophobicContact CD-CE2 4.34Å; K137-Y141 HydrophobicContact CG-CD2 3.87Å; K137-Y141 HydrophobicContact CG-CE2 3.74Å; K137-Y141 VanDerWaalsContact O-CD2 3.23Å; K137-Y141 WeakPolarHBondContact O-CD2 3.32Å; K137-Y141 PolarHBondContact O-N 2.83Å; K137-Y141 VanDerWaalsContact O-N 3.11Å; Y141-Y143 VanDerWaalsContact C-N 3.31Å; Y141-Y143 PolarHBondContact O-N 2.92Å; Y141-I144 HydrophobicContact CD1-CD1 4.2Å; Y141-I144 WeakPolarHBondContact O-CB 3.3Å; Y141-I144 PolarHBondContact O-N 3.49Å; Y141-I144 VanDerWaalsContact O-N 3.16Å; Y141-S145 PolarHBondContact O-N 3.15Å; Y141-S145 PolarHBondContact O-OG 3.1Å; Y141-A156 HydrophobicContact CD1-CB 4.4Å; Y141-C159 HydrophobicContact CD1-CB 3.64Å; Y141-C159 HydrophobicContact CD2-CB 3.58Å; Y141-C159 HydrophobicContact CE1-CB 3.67Å; Y141-C159 HydrophobicContact CE2-CB 3.63Å; Y141-C159 HydrophobicContact CG-CB 3.6Å
142	R	98.4	Very high	97	Very high	13 Å²	13	36.1 Å²	36.1	5%	0.049	19%	0.188	C	C	.	.	H	α-helix	trans	-57.4	-45.2	171.6	170.8	173.6	72.3	100.1	-10.2	111.2	G138 D139 I144 S145 E146 Y164 F192 E195 I196	G138-R142 VanDerWaalsContact O-CB 3.29Å; G138-R142 WeakPolarHBondContact O-CB 3.42Å; G138-R142 PolarHBondContact O-N 3.22Å; D139-R142 WeakPolarHBondContact O-CB 3.31Å; D139-R142 PolarHBondContact O-N 3.37Å; D139-R142 IonicContact OD1-CZ 3.57Å; D139-R142 IonicContact OD1-NE 2.92Å; D139-R142 IonicContact OD1-NH2 3.87Å; D139-R142 PolarHBondContact OD1-NH2 3.21Å; R142-I144 VanDerWaalsContact C-N 3.32Å; R142-I144 PolarHBondContact O-N 2.93Å; R142-S145 WeakPolarHBondContact O-CB 3.23Å; R142-S145 PolarHBondContact O-N 2.93Å; R142-S145 VanDerWaalsContact O-N 3.14Å; R142-E146 IonicContact NH1-OE1 3.32Å; R142-E146 PolarHBondContact O-N 3.47Å; R142-E146 VanDerWaalsContact O-N 3.12Å; R142-Y164 PolarHBondContact NE-OH 3.44Å; R142-F192 HydrophobicContact CB-CD2 4.02Å; R142-F192 HydrophobicContact CG-CD2 4.02Å; R142-E195 IonicContact NH1-OE2 2.64Å; R142-I196 HydrophobicContact CG-CD1 4.33Å; R142-I196 HydrophobicContact CG-CG1 3.83Å
143	Y	98.2	Very high	96.9	Very high	19 Å²	19	39.2 Å²	39.2	8%	0.075	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-40.8	176.1	-56.8	-26.2	0	0	0	112.1	V65 R69 D139 Y140 Y141 S145 E146 F147	V65-Y143 HydrophobicContact CG1-CD2 3.93Å; V65-Y143 HydrophobicContact CG1-CE2 3.76Å; V65-Y143 HydrophobicContact CG2-CD2 4Å; R69-Y143 VanDerWaalsContact CZ-CD1 3.43Å; R69-Y143 VanDerWaalsContact CZ-CE1 3.42Å; D139-Y143 HydrophobicContact CB-CE2 4.33Å; D139-Y143 WeakPolarHBondContact O-CD1 3.28Å; D139-Y143 WeakPolarHBondContact O-CD2 3.22Å; D139-Y143 PolarHBondContact O-N 2.87Å; Y140-Y143 AromaticContact CD1-CD2 3.84Å; Y140-Y143 HydrophobicContact CD1-CD2 3.84Å; Y140-Y143 HydrophobicContact CD1-CE2 4.21Å; Y140-Y143 HydrophobicContact CE1-CD2 4.18Å; Y140-Y143 HydrophobicContact CE1-CE2 4.2Å; Y140-Y143 HydrophobicContact CG-CD2 4.39Å; Y140-Y143 PolarHBondContact O-N 2.83Å; Y141-Y143 VanDerWaalsContact C-N 3.31Å; Y141-Y143 PolarHBondContact O-N 2.92Å; Y143-S145 VanDerWaalsContact C-N 3.34Å; Y143-S145 PolarHBondContact O-N 3.35Å; Y143-E146 WeakPolarHBondContact O-CB 3.13Å; Y143-E146 PolarHBondContact O-N 3.01Å; Y143-F147 WeakPolarHBondContact O-CD1 3.23Å; Y143-F147 WeakPolarHBondContact O-CE1 3.38Å
144	I	98.3	Very high	96.9	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.046	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-42.9	173.7	-66.1	166.7	0	0	0	111	C109 L113 Y140 Y141 R142 E146 F147 S148 A156	C109-I144 HydrophobicContact CB-CD1 3.73Å; C109-I144 HydrophobicContact CB-CG1 3.69Å; L113-I144 HydrophobicContact CD1-CD1 3.53Å; Y140-I144 WeakPolarHBondContact O-CG1 3.4Å; Y140-I144 PolarHBondContact O-N 3.3Å; Y141-I144 HydrophobicContact CD1-CD1 4.2Å; Y141-I144 WeakPolarHBondContact O-CB 3.3Å; Y141-I144 PolarHBondContact O-N 3.49Å; Y141-I144 VanDerWaalsContact O-N 3.16Å; R142-I144 VanDerWaalsContact C-N 3.32Å; R142-I144 PolarHBondContact O-N 2.93Å; I144-E146 PolarHBondContact O-N 3.35Å; I144-F147 HydrophobicContact CB-CZ 4.28Å; I144-F147 HydrophobicContact CG1-CE1 4.5Å; I144-F147 HydrophobicContact CG1-CZ 4.1Å; I144-F147 HydrophobicContact CG2-CZ 4.44Å; I144-F147 PolarHBondContact O-N 3.19Å; I144-S148 WeakPolarHBondContact CG2-OG 3.4Å; I144-S148 VanDerWaalsContact O-CB 3.23Å; I144-S148 WeakPolarHBondContact O-CB 3.4Å; I144-S148 PolarHBondContact O-N 3.2Å; I144-S148 PolarHBondContact O-OG 3.26Å; I144-A156 HydrophobicContact CB-CB 4.06Å; I144-A156 HydrophobicContact CG2-CB 3.68Å
145	S	97.8	Very high	96.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-28.2	177	-63.7	0	0	0	0	113.7	Y141 R142 Y143 A156 S157	Y141-S145 PolarHBondContact O-N 3.15Å; Y141-S145 PolarHBondContact O-OG 3.1Å; R142-S145 WeakPolarHBondContact O-CB 3.23Å; R142-S145 PolarHBondContact O-N 2.93Å; R142-S145 VanDerWaalsContact O-N 3.14Å; Y143-S145 VanDerWaalsContact C-N 3.34Å; Y143-S145 PolarHBondContact O-N 3.35Å; S145-A156 VanDerWaalsContact OG-C 3.24Å; S145-A156 VanDerWaalsContact OG-CB 3.23Å; S145-A156 WeakPolarHBondContact OG-CB 3.23Å; S145-S157 WeakPolarHBondContact OG-CA 3.43Å; S145-S157 PolarHBondContact OG-N 2.93Å
146	E	95.9	Very high	96.8	Very high	33 Å²	33	49 Å²	49	15%	0.154	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-41.3	-179.6	-72	171.4	-155.3	0	0	112.4	R69 W72 R73 R142 Y143 I144 I196	R69-E146 IonicContact CZ-OE1 3.12Å; R69-E146 IonicContact CZ-OE2 3.66Å; R69-E146 VanDerWaalsContact CZ-OE2 3.31Å; R69-E146 IonicContact NE-OE1 3.47Å; R69-E146 IonicContact NE-OE2 3.66Å; R69-E146 PolarHBondContact NE-OE2 3.39Å; R69-E146 IonicContact NH2-OE1 3.55Å; R69-E146 PolarHBondContact NH2-OE1 3.2Å; R69-E146 IonicContact NH2-OE2 2.8Å; R69-E146 PolarHBondContact NH2-OE2 3.45Å; W72-E146 VanDerWaalsContact CH2-O 3.31Å; W72-E146 WeakPolarHBondContact CH2-O 3.4Å; W72-E146 HydrophobicContact CZ3-CB 4.49Å; R73-E146 IonicContact CZ-OE2 3.98Å; R73-E146 IonicContact NH2-OE2 4Å; R73-E146 PolarHBondContact NH2-OE2 2.84Å; R142-E146 IonicContact NH1-OE1 3.32Å; R142-E146 PolarHBondContact O-N 3.47Å; R142-E146 VanDerWaalsContact O-N 3.12Å; Y143-E146 WeakPolarHBondContact O-CB 3.13Å; Y143-E146 PolarHBondContact O-N 3.01Å; I144-E146 PolarHBondContact O-N 3.35Å; E146-I196 HydrophobicContact CG-CD1 3.75Å
147	F	95.3	Very high	96.8	Very high	19 Å²	19	49.4 Å²	49.4	8%	0.083	25%	0.251	C	S	.	.	H	α-helix	trans	-107.3	-7.1	-174.8	63.2	-100.4	0	0	0	114.3	W72 E102 L105 N106 Y143 I144	W72-F147 HydrophobicContact CD2-CB 4.24Å; W72-F147 HydrophobicContact CH2-CB 4.24Å; W72-F147 HydrophobicContact CZ2-CB 3.56Å; E102-F147 HydrophobicContact CB-CD2 4.15Å; E102-F147 HydrophobicContact CG-CB 4.09Å; E102-F147 HydrophobicContact CG-CD2 4.12Å; E102-F147 HydrophobicContact CG-CG 4.31Å; L105-F147 HydrophobicContact CB-CD1 4.36Å; L105-F147 HydrophobicContact CB-CE1 3.78Å; L105-F147 HydrophobicContact CB-CZ 3.99Å; L105-F147 HydrophobicContact CD1-CD1 4Å; L105-F147 HydrophobicContact CD1-CE1 4.23Å; N106-F147 HydrophobicContact CB-CE2 4.12Å; N106-F147 HydrophobicContact CB-CZ 4.07Å; Y143-F147 WeakPolarHBondContact O-CD1 3.23Å; Y143-F147 WeakPolarHBondContact O-CE1 3.38Å; I144-F147 HydrophobicContact CB-CZ 4.28Å; I144-F147 HydrophobicContact CG1-CE1 4.5Å; I144-F147 HydrophobicContact CG1-CZ 4.1Å; I144-F147 HydrophobicContact CG2-CZ 4.44Å; I144-F147 PolarHBondContact O-N 3.19Å
148	S	95.3	Very high	96.7	Very high	29 Å²	29	52.2 Å²	52.2	20%	0.203	27%	0.268	C	S	.	.			trans	-79.4	159	176.2	-63	0	0	0	0	112.3	I144	I144-S148 WeakPolarHBondContact CG2-OG 3.4Å; I144-S148 VanDerWaalsContact O-CB 3.23Å; I144-S148 WeakPolarHBondContact O-CB 3.4Å; I144-S148 PolarHBondContact O-N 3.2Å; I144-S148 PolarHBondContact O-OG 3.26Å
149	C	91.1	Very high	96.7	Very high	91 Å²	91	53.7 Å²	53.7	62%	0.615	28%	0.278	S	S	*	.			trans	-119.8	160.2	174.3	-59.4	0	0	0	0	111	E151 G152 K153	C149-E151 PolarHBondContact O-N 3.45Å; C149-G152 PolarHBondContact O-N 2.9Å; C149-G152 VanDerWaalsContact O-N 3.08Å; C149-K153 PolarHBondContact O-N 3.06Å
150	D	92.6	Very high	96.7	Very high	148 Å²	148	53.3 Å²	53.3	79%	0.791	28%	0.276	S	S	*	.	H	α-helix	trans	47	-119	170.2	-52.4	-43	0	0	0	113.7	G152 K153 K154	D150-G152 PolarHBondContact O-N 3.44Å; D150-K153 PolarHBondContact O-N 3.49Å; D150-K154 PolarHBondContact O-N 3.4Å
151	E	94	Very high	96.7	Very high	168 Å²	168	55.8 Å²	55.8	79%	0.785	29%	0.288	S	S	*	.	H	α-helix	trans	-63.4	-40.6	-177.5	-63.9	-176.8	169.3	0	0	112.4	C149 K153 K154 E155	C149-E151 PolarHBondContact O-N 3.45Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 2.98Å; E151-K154 PolarHBondContact O-N 2.9Å; E151-E155 PolarHBondContact O-N 3.42Å
152	G	93.9	Very high	96.7	Very high	30 Å²	30	58.7 Å²	58.7	31%	0.309	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-38.3	179	0	0	0	0	0	112.1	C149 D150 A156	C149-G152 PolarHBondContact O-N 2.9Å; C149-G152 VanDerWaalsContact O-N 3.08Å; D150-G152 PolarHBondContact O-N 3.44Å; G152-A156 VanDerWaalsContact O-CB 3.3Å; G152-A156 WeakPolarHBondContact O-CB 3.43Å; G152-A156 PolarHBondContact O-N 2.96Å; G152-A156 VanDerWaalsContact O-N 3.07Å
153	K	96.4	Very high	96.7	Very high	89 Å²	89	58.2 Å²	58.2	39%	0.387	30%	0.302	S	S	.	.	H	α-helix	trans	-64.1	-45	174.4	-178.2	171	-179.8	177.2	0	111.1	C149 D150 E151 S157	C149-K153 PolarHBondContact O-N 3.06Å; D150-K153 PolarHBondContact O-N 3.49Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 2.98Å; K153-S157 WeakPolarHBondContact O-CB 3.31Å; K153-S157 PolarHBondContact O-N 2.99Å; K153-S157 PolarHBondContact O-OG 2.92Å
154	K	97	Very high	96.8	Very high	142 Å²	142	57.3 Å²	57.3	62%	0.617	30%	0.298	S	S	*	.	H	α-helix	trans	-64.5	-43.8	-179.5	-176	179.2	178.8	-179	0	112.4	D150 E151 S157 N158	D150-K154 PolarHBondContact O-N 3.4Å; E151-K154 PolarHBondContact O-N 2.9Å; K154-S157 WeakPolarHBondContact CA-OG 3.38Å; K154-S157 PolarHBondContact O-N 3.48Å; K154-S157 PolarHBondContact O-OG 2.84Å; K154-N158 WeakPolarHBondContact O-CB 3.49Å; K154-N158 PolarHBondContact O-N 3.5Å; K154-N158 PolarHBondContact O-ND2 3.47Å
155	E	97.7	Very high	96.8	Very high	136 Å²	136	60.4 Å²	60.4	64%	0.636	31%	0.312	S	S	*	.	H	α-helix	trans	-62.8	-51.6	176.9	-176	178.4	-176.4	0	0	110.6	E151 S157 N158 C159	E151-E155 PolarHBondContact O-N 3.42Å; E155-S157 VanDerWaalsContact C-N 3.31Å; E155-S157 PolarHBondContact O-N 2.85Å; E155-N158 PolarHBondContact O-N 3.27Å; E155-C159 PolarHBondContact O-N 3.44Å; E155-C159 PolarHBondContact O-SG 3.45Å; E155-C159 VanDerWaalsContact O-SG 3.42Å
156	A	98.1	Very high	96.8	Very high	4 Å²	4	64 Å²	64	3%	0.033	33%	0.328	C	S	.	.	H	α-helix	trans	-60	-40.4	178.7	0	0	0	0	0	112.1	Y141 I144 S145 G152 N158 C159 A160	Y141-A156 HydrophobicContact CD1-CB 4.4Å; I144-A156 HydrophobicContact CB-CB 4.06Å; I144-A156 HydrophobicContact CG2-CB 3.68Å; S145-A156 VanDerWaalsContact OG-C 3.24Å; S145-A156 VanDerWaalsContact OG-CB 3.23Å; S145-A156 WeakPolarHBondContact OG-CB 3.23Å; G152-A156 VanDerWaalsContact O-CB 3.3Å; G152-A156 WeakPolarHBondContact O-CB 3.43Å; G152-A156 PolarHBondContact O-N 2.96Å; G152-A156 VanDerWaalsContact O-N 3.07Å; A156-N158 VanDerWaalsContact C-N 3.35Å; A156-N158 PolarHBondContact O-N 3.02Å; A156-C159 PolarHBondContact O-N 2.91Å; A156-A160 WeakPolarHBondContact O-CB 3.3Å; A156-A160 PolarHBondContact O-N 3.45Å
157	S	98	Very high	96.9	Very high	15 Å²	15	62.5 Å²	62.5	11%	0.105	32%	0.321	C	S	.	.	H	α-helix	trans	-66.2	-38.5	178.6	61.2	0	0	0	0	111.9	S145 K153 K154 E155 A160 Q161 F192	S145-S157 WeakPolarHBondContact OG-CA 3.43Å; S145-S157 PolarHBondContact OG-N 2.93Å; K153-S157 WeakPolarHBondContact O-CB 3.31Å; K153-S157 PolarHBondContact O-N 2.99Å; K153-S157 PolarHBondContact O-OG 2.92Å; K154-S157 WeakPolarHBondContact CA-OG 3.38Å; K154-S157 PolarHBondContact O-N 3.48Å; K154-S157 PolarHBondContact O-OG 2.84Å; E155-S157 VanDerWaalsContact C-N 3.31Å; E155-S157 PolarHBondContact O-N 2.85Å; S157-A160 PolarHBondContact O-N 3.49Å; S157-Q161 VanDerWaalsContact O-CB 3.32Å; S157-Q161 WeakPolarHBondContact O-CB 3.26Å; S157-Q161 PolarHBondContact O-N 3.28Å; S157-F192 WeakPolarHBondContact O-CZ 3.37Å
158	N	98.4	Very high	97.1	Very high	95 Å²	95	62.4 Å²	62.4	51%	0.508	32%	0.322	S	S	.	.	H	α-helix	trans	-66.2	-42.8	176.4	-70.1	-14.6	0	0	0	111.3	K154 E155 A156 A160 Q161 E162	K154-N158 WeakPolarHBondContact O-CB 3.49Å; K154-N158 PolarHBondContact O-N 3.5Å; K154-N158 PolarHBondContact O-ND2 3.47Å; E155-N158 PolarHBondContact O-N 3.27Å; A156-N158 VanDerWaalsContact C-N 3.35Å; A156-N158 PolarHBondContact O-N 3.02Å; N158-A160 VanDerWaalsContact C-N 3.35Å; N158-Q161 PolarHBondContact O-N 3.43Å; N158-E162 WeakPolarHBondContact O-CB 3.37Å; N158-E162 PolarHBondContact O-N 3.29Å
159	C	98.5	Very high	97.2	Very high	30 Å²	30	64.5 Å²	64.5	20%	0.203	33%	0.331	C	S	.	.	H	α-helix	trans	-65.1	-38	175.9	-67.4	0	0	0	0	112.4	Y141 E155 A156 A163	Y141-C159 HydrophobicContact CD1-CB 3.64Å; Y141-C159 HydrophobicContact CD2-CB 3.58Å; Y141-C159 HydrophobicContact CE1-CB 3.67Å; Y141-C159 HydrophobicContact CE2-CB 3.63Å; Y141-C159 HydrophobicContact CG-CB 3.6Å; E155-C159 PolarHBondContact O-N 3.44Å; E155-C159 PolarHBondContact O-SG 3.45Å; E155-C159 VanDerWaalsContact O-SG 3.42Å; A156-C159 PolarHBondContact O-N 2.91Å; C159-A163 VanDerWaalsContact O-CB 3.32Å; C159-A163 WeakPolarHBondContact O-CB 3.32Å; C159-A163 PolarHBondContact O-N 2.92Å
160	A	98.7	Very high	97.6	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.3	-50	173.9	0	0	0	0	0	111	A156 S157 N158 E162 A163 Y164 F192	A156-A160 WeakPolarHBondContact O-CB 3.3Å; A156-A160 PolarHBondContact O-N 3.45Å; S157-A160 PolarHBondContact O-N 3.49Å; N158-A160 VanDerWaalsContact C-N 3.35Å; A160-E162 PolarHBondContact O-N 3.45Å; A160-A163 PolarHBondContact O-N 2.83Å; A160-Y164 HydrophobicContact CB-CD2 4.4Å; A160-Y164 HydrophobicContact CB-CE2 4.29Å; A160-Y164 WeakPolarHBondContact O-CD2 3.05Å; A160-Y164 PolarHBondContact O-N 3.5Å; A160-F192 HydrophobicContact CB-CD2 4.15Å; A160-F192 HydrophobicContact CB-CE2 3.58Å; A160-F192 HydrophobicContact CB-CZ 3.82Å
161	Q	98.6	Very high	97.9	Very high	59 Å²	59	55 Å²	55	28%	0.276	27%	0.274	S	S	.	.	H	α-helix	trans	-55.5	-48.4	177.2	178.5	64.4	31.6	0	0	111.7	S157 N158 A163 Q165 Y189 F192	S157-Q161 VanDerWaalsContact O-CB 3.32Å; S157-Q161 WeakPolarHBondContact O-CB 3.26Å; S157-Q161 PolarHBondContact O-N 3.28Å; N158-Q161 PolarHBondContact O-N 3.43Å; Q161-A163 PolarHBondContact O-N 3.35Å; Q161-Q165 VanDerWaalsContact O-CB 3.31Å; Q161-Q165 WeakPolarHBondContact O-CB 3.16Å; Q161-Q165 PolarHBondContact O-N 3.12Å; Q161-Y189 PolarHBondContact NE2-OH 3.22Å; Q161-Y189 PolarHBondContact OE1-OH 2.87Å; Q161-F192 HydrophobicContact CB-CE1 4.12Å; Q161-F192 HydrophobicContact CB-CZ 4.38Å
162	E	98.7	Very high	98	Very high	103 Å²	103	51.8 Å²	51.8	48%	0.481	26%	0.259	S	S	.	.	H	α-helix	trans	-62.2	-43.7	178.5	-171.2	-166.1	152.4	0	0	111.9	N158 A160 Q165 K166	N158-E162 WeakPolarHBondContact O-CB 3.37Å; N158-E162 PolarHBondContact O-N 3.29Å; A160-E162 PolarHBondContact O-N 3.45Å; E162-Q165 PolarHBondContact O-N 3Å; E162-K166 HydrophobicContact CG-CD 4.36Å; E162-K166 WeakPolarHBondContact O-CB 3.28Å; E162-K166 WeakPolarHBondContact O-CG 3.24Å; E162-K166 PolarHBondContact O-N 3.31Å; E162-K166 WeakPolarHBondContact OE1-CE 3.33Å; E162-K166 IonicContact OE1-NZ 2.63Å; E162-K166 PolarHBondContact OE1-NZ 3.34Å
163	A	98.8	Very high	98.2	Very high	3 Å²	3	56.6 Å²	56.6	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-66.8	-44.6	-179.3	0	0	0	0	0	112	K137 C159 A160 Q161 K166 A167	K137-A163 HydrophobicContact CB-CB 4.01Å; K137-A163 HydrophobicContact CD-CB 4.14Å; K137-A163 HydrophobicContact CG-CB 3.84Å; C159-A163 VanDerWaalsContact O-CB 3.32Å; C159-A163 WeakPolarHBondContact O-CB 3.32Å; C159-A163 PolarHBondContact O-N 2.92Å; A160-A163 PolarHBondContact O-N 2.83Å; Q161-A163 PolarHBondContact O-N 3.35Å; A163-K166 PolarHBondContact O-N 3.3Å; A163-A167 PolarHBondContact O-N 2.9Å
164	Y	98.8	Very high	98.3	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.4	-43.1	175.4	-74.6	-55.8	0	0	0	112	G138 D139 R142 A160 K166 A167 T168 L185 N188 Y189 F192	G138-Y164 VanDerWaalsContact C-OH 3.29Å; G138-Y164 PolarHBondContact O-OH 3.2Å; D139-Y164 VanDerWaalsContact CA-OH 3.28Å; D139-Y164 WeakPolarHBondContact CA-OH 3.5Å; D139-Y164 PolarHBondContact N-OH 2.86Å; D139-Y164 PolarHBondContact OD1-OH 3.34Å; R142-Y164 PolarHBondContact NE-OH 3.44Å; A160-Y164 HydrophobicContact CB-CD2 4.4Å; A160-Y164 HydrophobicContact CB-CE2 4.29Å; A160-Y164 WeakPolarHBondContact O-CD2 3.05Å; A160-Y164 PolarHBondContact O-N 3.5Å; Y164-K166 PolarHBondContact O-N 3.48Å; Y164-A167 WeakPolarHBondContact O-CB 3.34Å; Y164-A167 PolarHBondContact O-N 3.07Å; Y164-A167 VanDerWaalsContact O-N 3.15Å; Y164-T168 PolarHBondContact O-N 3.43Å; Y164-T168 PolarHBondContact O-OG1 2.96Å; Y164-T168 VanDerWaalsContact O-OG1 3.12Å; Y164-L185 HydrophobicContact CD1-CD1 3.66Å; Y164-L185 HydrophobicContact CE1-CD1 4.35Å; Y164-N188 HydrophobicContact CE1-CB 4.27Å; Y164-Y189 VanDerWaalsContact CB-CD2 3.5Å; Y164-Y189 VanDerWaalsContact CB-CE2 3.5Å; Y164-Y189 HydrophobicContact CD1-CD2 4.37Å; Y164-Y189 HydrophobicContact CD1-CG 4.15Å; Y164-Y189 AromaticContact CD2-CD2 3.62Å; Y164-Y189 HydrophobicContact CD2-CD2 3.62Å; Y164-Y189 HydrophobicContact CD2-CE2 4.01Å; Y164-Y189 HydrophobicContact CD2-CG 4.24Å; Y164-Y189 HydrophobicContact CE2-CD2 4.41Å; Y164-Y189 HydrophobicContact CG-CD1 4.33Å; Y164-Y189 AromaticContact CG-CD2 3.6Å; Y164-Y189 HydrophobicContact CG-CD2 3.6Å; Y164-Y189 HydrophobicContact CG-CE2 4.03Å; Y164-Y189 AromaticContact CG-CG 3.77Å; Y164-Y189 HydrophobicContact CG-CG 3.77Å; Y164-F192 HydrophobicContact CD2-CB 4.32Å; Y164-F192 HydrophobicContact CD2-CD1 4.11Å; Y164-F192 HydrophobicContact CD2-CG 4.16Å; Y164-F192 HydrophobicContact CE2-CB 3.78Å; Y164-F192 HydrophobicContact CE2-CD1 4.28Å; Y164-F192 HydrophobicContact CE2-CD2 4.26Å; Y164-F192 AromaticContact CE2-CG 3.85Å; Y164-F192 HydrophobicContact CE2-CG 3.85Å
165	Q	98.6	Very high	98.3	Very high	75 Å²	75	52 Å²	52	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-45.8	178.2	-169.2	60	47.9	0	0	111.5	Q161 E162 A167 T168 D169 Y189	Q161-Q165 VanDerWaalsContact O-CB 3.31Å; Q161-Q165 WeakPolarHBondContact O-CB 3.16Å; Q161-Q165 PolarHBondContact O-N 3.12Å; E162-Q165 PolarHBondContact O-N 3Å; Q165-A167 VanDerWaalsContact C-N 3.3Å; Q165-A167 PolarHBondContact O-N 2.87Å; Q165-T168 PolarHBondContact O-N 2.73Å; Q165-T168 VanDerWaalsContact O-N 3.1Å; Q165-D169 PolarHBondContact NE2-OD1 3.4Å; Q165-D169 PolarHBondContact O-N 3.17Å; Q165-Y189 PolarHBondContact OE1-OH 2.91Å
166	K	98.5	Very high	98.2	Very high	76 Å²	76	48.8 Å²	48.8	33%	0.33	25%	0.251	S	S	.	.	H	α-helix	trans	-59.2	-40.1	174.5	-76.3	175.7	174	174.2	0	112.6	Y134 E162 A163 Y164 I170	Y134-K166 HydrophobicContact CD1-CB 4.01Å; Y134-K166 HydrophobicContact CD1-CD 4.26Å; Y134-K166 HydrophobicContact CE1-CB 4.11Å; Y134-K166 HydrophobicContact CE1-CD 3.64Å; Y134-K166 HydrophobicContact CG-CB 4.23Å; E162-K166 HydrophobicContact CG-CD 4.36Å; E162-K166 WeakPolarHBondContact O-CB 3.28Å; E162-K166 WeakPolarHBondContact O-CG 3.24Å; E162-K166 PolarHBondContact O-N 3.31Å; E162-K166 WeakPolarHBondContact OE1-CE 3.33Å; E162-K166 IonicContact OE1-NZ 2.63Å; E162-K166 PolarHBondContact OE1-NZ 3.34Å; A163-K166 PolarHBondContact O-N 3.3Å; Y164-K166 PolarHBondContact O-N 3.48Å; K166-I170 WeakPolarHBondContact O-CD1 3.32Å; K166-I170 VanDerWaalsContact O-CG1 3.29Å; K166-I170 WeakPolarHBondContact O-CG1 3.47Å; K166-I170 PolarHBondContact O-N 3.35Å
167	A	98.7	Very high	98.1	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-42.5	175.2	0	0	0	0	0	111.3	V131 A163 Y164 Q165 I170 A171 L185	V131-A167 HydrophobicContact CG1-CB 4.36Å; A163-A167 PolarHBondContact O-N 2.9Å; Y164-A167 WeakPolarHBondContact O-CB 3.34Å; Y164-A167 PolarHBondContact O-N 3.07Å; Y164-A167 VanDerWaalsContact O-N 3.15Å; Q165-A167 VanDerWaalsContact C-N 3.3Å; Q165-A167 PolarHBondContact O-N 2.87Å; A167-I170 PolarHBondContact O-N 3.18Å; A167-A171 WeakPolarHBondContact O-CB 3.41Å; A167-A171 PolarHBondContact O-N 3.16Å; A167-L185 VanDerWaalsContact C-CD2 3.44Å; A167-L185 HydrophobicContact CB-CD1 3.66Å; A167-L185 HydrophobicContact CB-CD2 3.61Å; A167-L185 HydrophobicContact CB-CG 4.29Å
168	T	98.7	Very high	98.1	Very high	17 Å²	17	48.9 Å²	48.9	10%	0.104	25%	0.251	C	S	.	.	H	α-helix	trans	-64.9	-47.9	-179.7	-63.9	0	0	0	0	110.9	Y164 Q165 I170 A171 E172	Y164-T168 PolarHBondContact O-N 3.43Å; Y164-T168 PolarHBondContact O-OG1 2.96Å; Y164-T168 VanDerWaalsContact O-OG1 3.12Å; Q165-T168 PolarHBondContact O-N 2.73Å; Q165-T168 VanDerWaalsContact O-N 3.1Å; T168-I170 VanDerWaalsContact C-N 3.27Å; T168-I170 PolarHBondContact O-N 2.87Å; T168-A171 PolarHBondContact O-N 3.34Å; T168-A171 VanDerWaalsContact O-N 3.12Å; T168-E172 HydrophobicContact CG2-CG 4.04Å; T168-E172 WeakPolarHBondContact CG2-OE1 3.41Å; T168-E172 WeakPolarHBondContact O-CB 3.35Å; T168-E172 WeakPolarHBondContact O-CG 3.47Å; T168-E172 PolarHBondContact O-N 3.5Å
169	D	98.4	Very high	98	Very high	73 Å²	73	45.9 Å²	45.9	39%	0.39	23%	0.234	S	C	.	.	H	α-helix	trans	-58.3	-40.1	180	-62	-17.4	0	0	0	111.5	Q165 N173	Q165-D169 PolarHBondContact NE2-OD1 3.4Å; Q165-D169 PolarHBondContact O-N 3.17Å; D169-N173 PolarHBondContact O-ND2 3.11Å
170	I	98.5	Very high	98	Very high	40 Å²	40	45.4 Å²	45.4	21%	0.205	23%	0.23	C	C	.	.	H	α-helix	trans	-72.1	-46.8	175.9	-60.6	167.4	0	0	0	110.1	K130 V131 Y134 K166 A167 T168 E172 N173 E174	K130-I170 HydrophobicContact CB-CD1 4.11Å; V131-I170 HydrophobicContact CG2-CB 3.79Å; V131-I170 HydrophobicContact CG2-CG2 3.51Å; Y134-I170 HydrophobicContact CD2-CD1 4.12Å; Y134-I170 HydrophobicContact CE2-CD1 4.17Å; K166-I170 WeakPolarHBondContact O-CD1 3.32Å; K166-I170 VanDerWaalsContact O-CG1 3.29Å; K166-I170 WeakPolarHBondContact O-CG1 3.47Å; K166-I170 PolarHBondContact O-N 3.35Å; A167-I170 PolarHBondContact O-N 3.18Å; T168-I170 VanDerWaalsContact C-N 3.27Å; T168-I170 PolarHBondContact O-N 2.87Å; I170-E172 PolarHBondContact O-N 3.46Å; I170-N173 PolarHBondContact O-N 3.18Å; I170-E174 HydrophobicContact CG2-CB 4.39Å; I170-E174 HydrophobicContact CG2-CG 4.06Å; I170-E174 VanDerWaalsContact O-CB 3.24Å; I170-E174 WeakPolarHBondContact O-CB 3.24Å; I170-E174 WeakPolarHBondContact O-CG 3.48Å; I170-E174 PolarHBondContact O-N 3.07Å
171	A	98.5	Very high	97.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-38.1	-175.3	0	0	0	0	0	113.1	V131 A167 T168 N173 L175 R182 L185	V131-A171 HydrophobicContact CG1-CB 3.86Å; V131-A171 HydrophobicContact CG2-CB 3.94Å; A167-A171 WeakPolarHBondContact O-CB 3.41Å; A167-A171 PolarHBondContact O-N 3.16Å; T168-A171 PolarHBondContact O-N 3.34Å; T168-A171 VanDerWaalsContact O-N 3.12Å; A171-N173 VanDerWaalsContact C-N 3.29Å; A171-N173 PolarHBondContact O-N 2.9Å; A171-L175 HydrophobicContact CB-CD1 4.22Å; A171-L175 WeakPolarHBondContact O-CB 3.4Å; A171-L175 PolarHBondContact O-N 3.34Å; A171-R182 HydrophobicContact CB-CB 4.27Å; A171-R182 HydrophobicContact CB-CG 4.03Å; A171-L185 HydrophobicContact CB-CD2 4.01Å
172	E	97.4	Very high	97.9	Very high	99 Å²	99	45.9 Å²	45.9	46%	0.463	23%	0.231	S	C	.	.	H	α-helix	trans	-67.1	-31.3	179.4	-73	-178.6	166.9	0	0	112.7	T168 I170	T168-E172 HydrophobicContact CG2-CG 4.04Å; T168-E172 WeakPolarHBondContact CG2-OE1 3.41Å; T168-E172 WeakPolarHBondContact O-CB 3.35Å; T168-E172 WeakPolarHBondContact O-CG 3.47Å; T168-E172 PolarHBondContact O-N 3.5Å; I170-E172 PolarHBondContact O-N 3.46Å
173	N	97.3	Very high	97.9	Very high	132 Å²	132	41 Å²	41	71%	0.706	21%	0.208	S	C	*	.	H	α-helix	trans	-89.4	-31.5	-179.9	-70.9	-56.4	0	0	0	113.4	D169 I170 A171	D169-N173 PolarHBondContact O-ND2 3.11Å; I170-N173 PolarHBondContact O-N 3.18Å; A171-N173 VanDerWaalsContact C-N 3.29Å; A171-N173 PolarHBondContact O-N 2.9Å
174	E	97.7	Very high	97.9	Very high	117 Å²	117	41.3 Å²	41.3	55%	0.547	21%	0.211	S	C	.	.	H	α-helix	trans	-115.2	-16.2	-165.3	-58.3	-75	144	0	0	114	S127 I170	S127-E174 PolarHBondContact OG-OE2 3.32Å; I170-E174 HydrophobicContact CG2-CB 4.39Å; I170-E174 HydrophobicContact CG2-CG 4.06Å; I170-E174 VanDerWaalsContact O-CB 3.24Å; I170-E174 WeakPolarHBondContact O-CB 3.24Å; I170-E174 WeakPolarHBondContact O-CG 3.48Å; I170-E174 PolarHBondContact O-N 3.07Å
175	L	96.9	Very high	97.9	Very high	18 Å²	18	41.4 Å²	41.4	9%	0.094	21%	0.212	C	C	.	.	S	Bend	trans	-123.8	138.4	-176.9	-56.4	179	0	0	0	111.2	E128 V131 A171 H179 I181 R182	E128-L175 HydrophobicContact CB-CD2 4.3Å; V131-L175 HydrophobicContact CB-CD1 4.12Å; V131-L175 HydrophobicContact CG1-CD1 4.17Å; V131-L175 HydrophobicContact CG2-CD1 3.91Å; A171-L175 HydrophobicContact CB-CD1 4.22Å; A171-L175 WeakPolarHBondContact O-CB 3.4Å; A171-L175 PolarHBondContact O-N 3.34Å; L175-H179 HydrophobicContact CB-CB 4.07Å; L175-I181 HydrophobicContact CD1-CG2 4.45Å; L175-R182 HydrophobicContact CB-CB 4.34Å; L175-R182 HydrophobicContact CD1-CB 4.44Å; L175-R182 PolarHBondContact O-NH1 2.78Å
176	P	96.4	Very high	97.9	Very high	68 Å²	68	38.5 Å²	38.5	44%	0.442	20%	0.201	S	C	.	.			trans	-62.3	153.1	175.2	25.1	-31.3	0	0	0	111.1	T178 H179 R182	P176-T178 PolarHBondContact O-N 2.98Å; P176-T178 VanDerWaalsContact O-N 3.08Å; P176-H179 HydrophobicContact CG-CB 4Å; P176-H179 WeakPolarHBondContact O-CB 3.45Å; P176-H179 PolarHBondContact O-N 3.15Å; P176-R182 WeakPolarHBondContact O-CD 3.37Å
177	S	96.9	Very high	97.9	Very high	8 Å²	8	35.7 Å²	35.7	6%	0.056	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.7	-177.7	63.6	0	0	0	0	112.8	D213 E217	S177-D213 PolarHBondContact OG-O 3.42Å; S177-E217 PolarHBondContact OG-OE2 2.87Å
178	T	96.7	Very high	97.9	Very high	13 Å²	13	37.1 Å²	37.1	8%	0.08	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-3.1	179.5	57.9	0	0	0	0	114.4	P176 L183 A214 E217 F218 V221 S229	P176-T178 PolarHBondContact O-N 2.98Å; P176-T178 VanDerWaalsContact O-N 3.08Å; T178-L183 WeakPolarHBondContact O-CD1 3.26Å; T178-A214 HydrophobicContact CG2-CB 4.28Å; T178-A214 WeakPolarHBondContact CG2-O 3.37Å; T178-E217 HydrophobicContact CG2-CB 3.92Å; T178-F218 HydrophobicContact CG2-CD2 4.32Å; T178-V221 HydrophobicContact CG2-CG2 3.57Å; T178-S229 WeakPolarHBondContact O-CB 3.23Å; T178-S229 PolarHBondContact O-OG 2.86Å
179	H	97.1	Very high	97.9	Very high	31 Å²	31	36.4 Å²	36.4	14%	0.144	19%	0.192	C	C	.	.			trans	-64.8	130.5	-178	-164.6	-85.9	0	0	0	111.3	E128 L175 P176 I181 R182 L183	E128-H179 IonicContact OE2-CE1 3.64Å; E128-H179 IonicContact OE2-NE2 2.72Å; L175-H179 HydrophobicContact CB-CB 4.07Å; P176-H179 HydrophobicContact CG-CB 4Å; P176-H179 WeakPolarHBondContact O-CB 3.45Å; P176-H179 PolarHBondContact O-N 3.15Å; H179-I181 VanDerWaalsContact C-N 3.28Å; H179-I181 PolarHBondContact ND1-N 3.33Å; H179-I181 PolarHBondContact O-N 2.9Å; H179-I181 VanDerWaalsContact O-N 3.15Å; H179-R182 HydrophobicContact CB-CB 4.15Å; H179-R182 PolarHBondContact O-N 3.16Å; H179-L183 PolarHBondContact O-N 3.46Å
180	P	97.4	Very high	97.9	Very high	20 Å²	20	32.9 Å²	32.9	13%	0.13	17%	0.174	C	C	.	.	H	α-helix	trans	-54.5	-39.7	-176.8	-27	32	0	0	0	114	G184 D228 S229 I232	P180-G184 PolarHBondContact O-N 3.22Å; P180-D228 HydrophobicContact CB-CB 4.02Å; P180-D228 HydrophobicContact CG-CB 4.03Å; P180-S229 WeakPolarHBondContact CD-OG 3.44Å; P180-S229 WeakPolarHBondContact CG-OG 3.44Å; P180-I232 HydrophobicContact CB-CD1 4.12Å; P180-I232 VanDerWaalsContact O-CD1 3.23Å; P180-I232 WeakPolarHBondContact O-CD1 3.45Å
181	I	98	Very high	97.9	Very high	20 Å²	20	31.9 Å²	31.9	10%	0.103	17%	0.169	C	C	.	.	H	α-helix	trans	-68.2	-38.3	178.7	-67	172.5	0	0	0	112	E128 V131 F132 L175 H179 G184 L185	E128-I181 HydrophobicContact CG-CD1 3.44Å; E128-I181 VanDerWaalsContact CG-CD1 3.44Å; E128-I181 WeakPolarHBondContact OE1-CD1 3.44Å; V131-I181 HydrophobicContact CB-CG2 4.08Å; V131-I181 HydrophobicContact CG1-CG2 3.59Å; F132-I181 HydrophobicContact CB-CD1 4.34Å; F132-I181 HydrophobicContact CD2-CD1 3.81Å; F132-I181 HydrophobicContact CD2-CG1 4.17Å; L175-I181 HydrophobicContact CD1-CG2 4.45Å; H179-I181 VanDerWaalsContact C-N 3.28Å; H179-I181 PolarHBondContact ND1-N 3.33Å; H179-I181 PolarHBondContact O-N 2.9Å; H179-I181 VanDerWaalsContact O-N 3.15Å; I181-G184 PolarHBondContact O-N 2.97Å; I181-L185 WeakPolarHBondContact O-CB 3.32Å; I181-L185 PolarHBondContact O-N 3.27Å
182	R	98.3	Very high	97.9	Very high	49 Å²	49	31.8 Å²	31.8	19%	0.185	17%	0.169	C	C	.	.	H	α-helix	trans	-68.9	-44.8	177.6	179.2	173.9	172.7	177.9	-4.2	110.9	A171 L175 P176 H179 L185 A186	A171-R182 HydrophobicContact CB-CB 4.27Å; A171-R182 HydrophobicContact CB-CG 4.03Å; L175-R182 HydrophobicContact CB-CB 4.34Å; L175-R182 HydrophobicContact CD1-CB 4.44Å; L175-R182 PolarHBondContact O-NH1 2.78Å; P176-R182 WeakPolarHBondContact O-CD 3.37Å; H179-R182 HydrophobicContact CB-CB 4.15Å; H179-R182 PolarHBondContact O-N 3.16Å; R182-L185 WeakPolarHBondContact O-CB 3.36Å; R182-L185 PolarHBondContact O-N 3.48Å; R182-A186 PolarHBondContact O-N 3.26Å
183	L	98.5	Very high	97.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-59.5	-46.5	173.1	-74.3	172.4	0	0	0	111.6	T178 H179 L185 A186 L187 A214 I232 M233 L236	T178-L183 WeakPolarHBondContact O-CD1 3.26Å; H179-L183 PolarHBondContact O-N 3.46Å; L183-L185 VanDerWaalsContact C-N 3.28Å; L183-L185 PolarHBondContact O-N 2.86Å; L183-A186 PolarHBondContact O-N 2.95Å; L183-L187 PolarHBondContact O-N 3.37Å; L183-A214 HydrophobicContact CD2-CB 3.69Å; L183-I232 HydrophobicContact CB-CB 4.17Å; L183-I232 HydrophobicContact CB-CD1 4.45Å; L183-I232 HydrophobicContact CB-CG2 3.62Å; L183-M233 HydrophobicContact CD1-CG 3.93Å; L183-M233 HydrophobicContact CD1-SD 4.38Å; L183-M233 HydrophobicContact CD2-CG 4.07Å; L183-L236 HydrophobicContact CD2-CD1 4.06Å
184	G	98.4	Very high	98	Very high	9 Å²	9	24.3 Å²	24.3	9%	0.093	13%	0.127	C	C	.	.	H	α-helix	trans	-65.1	-32.7	179.1	0	0	0	0	0	112.7	K135 P180 I181 N188	K135-G184 WeakPolarHBondContact CE-O 3.4Å; P180-G184 PolarHBondContact O-N 3.22Å; I181-G184 PolarHBondContact O-N 2.97Å; G184-N188 PolarHBondContact O-N 2.92Å; G184-N188 VanDerWaalsContact O-N 3.1Å
185	L	98.8	Very high	97.9	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	12%	0.123	C	C	.	.	H	α-helix	trans	-63.4	-51.3	171.2	168.5	63.8	0	0	0	111	V131 K135 Y164 A167 A171 I181 R182 L183 L187 N188 Y189	V131-L185 HydrophobicContact CG1-CD2 4.1Å; K135-L185 HydrophobicContact CB-CD1 4.09Å; K135-L185 HydrophobicContact CD-CB 4.11Å; K135-L185 HydrophobicContact CG-CB 4.32Å; K135-L185 HydrophobicContact CG-CD1 4.03Å; Y164-L185 HydrophobicContact CD1-CD1 3.66Å; Y164-L185 HydrophobicContact CE1-CD1 4.35Å; A167-L185 VanDerWaalsContact C-CD2 3.44Å; A167-L185 HydrophobicContact CB-CD1 3.66Å; A167-L185 HydrophobicContact CB-CD2 3.61Å; A167-L185 HydrophobicContact CB-CG 4.29Å; A171-L185 HydrophobicContact CB-CD2 4.01Å; I181-L185 WeakPolarHBondContact O-CB 3.32Å; I181-L185 PolarHBondContact O-N 3.27Å; R182-L185 WeakPolarHBondContact O-CB 3.36Å; R182-L185 PolarHBondContact O-N 3.48Å; L183-L185 VanDerWaalsContact C-N 3.28Å; L183-L185 PolarHBondContact O-N 2.86Å; L185-L187 VanDerWaalsContact C-N 3.29Å; L185-L187 PolarHBondContact O-N 3.08Å; L185-N188 PolarHBondContact O-N 3.36Å; L185-Y189 VanDerWaalsContact O-CB 3.24Å; L185-Y189 WeakPolarHBondContact O-CB 3.25Å; L185-Y189 PolarHBondContact O-N 2.92Å
186	A	98.7	Very high	97.9	Very high	14 Å²	14	23.6 Å²	23.6	12%	0.116	12%	0.123	C	C	.	.	H	α-helix	trans	-59.8	-40.1	178.3	0	0	0	0	0	112.2	R182 L183 S190 A210	R182-A186 PolarHBondContact O-N 3.26Å; L183-A186 PolarHBondContact O-N 2.95Å; A186-S190 VanDerWaalsContact O-CB 3.29Å; A186-S190 WeakPolarHBondContact O-CB 3.48Å; A186-S190 PolarHBondContact O-N 3.47Å; A186-S190 PolarHBondContact O-OG 2.8Å; A186-A210 HydrophobicContact CB-CB 3.44Å; A186-A210 VanDerWaalsContact CB-CB 3.44Å
187	L	98.7	Very high	97.9	Very high	17 Å²	17	22.7 Å²	22.7	9%	0.089	12%	0.115	C	C	.	.	H	α-helix	trans	-58.1	-51.8	174.2	177.6	64.6	0	0	0	111.6	L183 L185 S190 V191 I232 L235 L236 N239	L183-L187 PolarHBondContact O-N 3.37Å; L185-L187 VanDerWaalsContact C-N 3.29Å; L185-L187 PolarHBondContact O-N 3.08Å; L187-S190 PolarHBondContact O-OG 3.45Å; L187-V191 VanDerWaalsContact O-CG2 3.28Å; L187-V191 WeakPolarHBondContact O-CG2 3.44Å; L187-V191 PolarHBondContact O-N 2.86Å; L187-I232 HydrophobicContact CB-CG2 4.3Å; L187-I232 HydrophobicContact CD2-CG2 4.17Å; L187-L235 HydrophobicContact CD1-CB 4.11Å; L187-L235 HydrophobicContact CD2-CB 3.89Å; L187-L235 HydrophobicContact CD2-CD1 3.9Å; L187-L236 HydrophobicContact CB-CD2 3.92Å; L187-L236 HydrophobicContact CB-CG 4.24Å; L187-L236 HydrophobicContact CD1-CD2 3.95Å; L187-L236 HydrophobicContact CD1-CG 4.18Å; L187-N239 VanDerWaalsContact CD1-ND2 3.28Å; L187-N239 WeakPolarHBondContact CD1-ND2 3.49Å
188	N	98.5	Very high	97.9	Very high	30 Å²	30	28.8 Å²	28.8	16%	0.16	15%	0.147	C	C	.	.	H	α-helix	trans	-73.9	-33.4	-175.7	-74.9	10.4	0	0	0	112.8	K135 D139 Y164 G184 L185 V191 F192	K135-N188 PolarHBondContact NZ-ND2 3.39Å; D139-N188 WeakPolarHBondContact OD1-CB 3.43Å; D139-N188 PolarHBondContact OD1-ND2 2.98Å; D139-N188 PolarHBondContact OD2-ND2 2.99Å; Y164-N188 HydrophobicContact CE1-CB 4.27Å; G184-N188 PolarHBondContact O-N 2.92Å; G184-N188 VanDerWaalsContact O-N 3.1Å; L185-N188 PolarHBondContact O-N 3.36Å; N188-V191 PolarHBondContact O-N 3.18Å; N188-F192 PolarHBondContact O-N 3.47Å
189	Y	98.8	Very high	97.9	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-72.9	-38.3	178.4	-166.3	-171.5	0	0	0	111.7	Q161 Y164 Q165 L185 V191 F192 F193 M206	Q161-Y189 PolarHBondContact NE2-OH 3.22Å; Q161-Y189 PolarHBondContact OE1-OH 2.87Å; Y164-Y189 VanDerWaalsContact CB-CD2 3.5Å; Y164-Y189 VanDerWaalsContact CB-CE2 3.5Å; Y164-Y189 HydrophobicContact CD1-CD2 4.37Å; Y164-Y189 HydrophobicContact CD1-CG 4.15Å; Y164-Y189 AromaticContact CD2-CD2 3.62Å; Y164-Y189 HydrophobicContact CD2-CD2 3.62Å; Y164-Y189 HydrophobicContact CD2-CE2 4.01Å; Y164-Y189 HydrophobicContact CD2-CG 4.24Å; Y164-Y189 HydrophobicContact CE2-CD2 4.41Å; Y164-Y189 HydrophobicContact CG-CD1 4.33Å; Y164-Y189 AromaticContact CG-CD2 3.6Å; Y164-Y189 HydrophobicContact CG-CD2 3.6Å; Y164-Y189 HydrophobicContact CG-CE2 4.03Å; Y164-Y189 AromaticContact CG-CG 3.77Å; Y164-Y189 HydrophobicContact CG-CG 3.77Å; Q165-Y189 PolarHBondContact OE1-OH 2.91Å; L185-Y189 VanDerWaalsContact O-CB 3.24Å; L185-Y189 WeakPolarHBondContact O-CB 3.25Å; L185-Y189 PolarHBondContact O-N 2.92Å; Y189-V191 VanDerWaalsContact C-N 3.33Å; Y189-V191 PolarHBondContact O-N 3.42Å; Y189-F192 HydrophobicContact CD2-CB 4.35Å; Y189-F192 AromaticContact CD2-CD1 3.91Å; Y189-F192 HydrophobicContact CD2-CD1 3.91Å; Y189-F192 AromaticContact CE2-CD1 3.91Å; Y189-F192 HydrophobicContact CE2-CD1 3.91Å; Y189-F192 HydrophobicContact CE2-CE1 4.43Å; Y189-F192 VanDerWaalsContact O-CB 3.29Å; Y189-F192 WeakPolarHBondContact O-CB 3.4Å; Y189-F192 PolarHBondContact O-N 2.83Å; Y189-F192 VanDerWaalsContact O-N 3.11Å; Y189-F193 HydrophobicContact CD1-CE2 4.34Å; Y189-F193 AromaticContact CD2-CD2 3.85Å; Y189-F193 HydrophobicContact CD2-CD2 3.85Å; Y189-F193 AromaticContact CD2-CE2 3.55Å; Y189-F193 HydrophobicContact CD2-CE2 3.55Å; Y189-F193 HydrophobicContact CD2-CZ 4.45Å; Y189-F193 HydrophobicContact CE1-CE2 4.09Å; Y189-F193 AromaticContact CE2-CD2 3.95Å; Y189-F193 HydrophobicContact CE2-CD2 3.95Å; Y189-F193 AromaticContact CE2-CE2 3.23Å; Y189-F193 HydrophobicContact CE2-CE2 3.23Å; Y189-F193 AromaticContact CE2-CZ 3.72Å; Y189-F193 HydrophobicContact CE2-CZ 3.72Å; Y189-F193 HydrophobicContact CG-CD2 4.41Å; Y189-F193 HydrophobicContact CG-CE2 4.1Å; Y189-F193 AromaticContact CZ-CE2 3.54Å; Y189-F193 AromaticContact CZ-CZ 3.87Å; Y189-F193 VanDerWaalsContact O-CD2 3.28Å; Y189-F193 WeakPolarHBondContact O-CD2 3.23Å; Y189-F193 PolarHBondContact O-N 2.9Å; Y189-M206 HydrophobicContact CD1-CE 3.55Å; Y189-M206 HydrophobicContact CD1-SD 3.63Å; Y189-M206 HydrophobicContact CD2-SD 4.47Å; Y189-M206 HydrophobicContact CE1-CE 3.73Å; Y189-M206 HydrophobicContact CE1-SD 4.4Å; Y189-M206 HydrophobicContact CG-CE 4.07Å; Y189-M206 HydrophobicContact CG-SD 3.67Å
190	S	98.6	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-40	171.4	57.9	0	0	0	0	112.1	A186 L187 F192 F193 Y194 A203	A186-S190 VanDerWaalsContact O-CB 3.29Å; A186-S190 WeakPolarHBondContact O-CB 3.48Å; A186-S190 PolarHBondContact O-N 3.47Å; A186-S190 PolarHBondContact O-OG 2.8Å; L187-S190 PolarHBondContact O-OG 3.45Å; S190-F192 VanDerWaalsContact C-N 3.29Å; S190-F192 PolarHBondContact O-N 3Å; S190-F193 WeakPolarHBondContact O-CB 3.4Å; S190-F193 PolarHBondContact O-N 3.15Å; S190-Y194 PolarHBondContact O-N 3.25Å; S190-A203 WeakPolarHBondContact CB-O 3.49Å; S190-A203 VanDerWaalsContact O-CB 3.25Å; S190-A203 WeakPolarHBondContact O-CB 3.35Å
191	V	98.3	Very high	97.8	Very high	18 Å²	18	36.4 Å²	36.4	11%	0.109	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-38.7	172.1	173.2	0	0	0	0	111.4	L187 N188 Y189 Y194 E195 W243	L187-V191 VanDerWaalsContact O-CG2 3.28Å; L187-V191 WeakPolarHBondContact O-CG2 3.44Å; L187-V191 PolarHBondContact O-N 2.86Å; N188-V191 PolarHBondContact O-N 3.18Å; Y189-V191 VanDerWaalsContact C-N 3.33Å; Y189-V191 PolarHBondContact O-N 3.42Å; V191-Y194 PolarHBondContact O-N 3.23Å; V191-E195 VanDerWaalsContact CG1-CD 3.47Å; V191-E195 HydrophobicContact CG1-CG 3.96Å; V191-E195 WeakPolarHBondContact CG1-OE2 3.37Å; V191-E195 WeakPolarHBondContact O-CB 3.16Å; V191-E195 PolarHBondContact O-N 3.29Å; V191-W243 HydrophobicContact CG2-CH2 3.92Å; V191-W243 HydrophobicContact CG2-CZ2 3.92Å
192	F	98.6	Very high	97.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-46.4	174.2	174.3	-108.1	0	0	0	112.5	R142 S157 A160 Q161 Y164 N188 Y189 S190 Y194 I196 L197	R142-F192 HydrophobicContact CB-CD2 4.02Å; R142-F192 HydrophobicContact CG-CD2 4.02Å; S157-F192 WeakPolarHBondContact O-CZ 3.37Å; A160-F192 HydrophobicContact CB-CD2 4.15Å; A160-F192 HydrophobicContact CB-CE2 3.58Å; A160-F192 HydrophobicContact CB-CZ 3.82Å; Q161-F192 HydrophobicContact CB-CE1 4.12Å; Q161-F192 HydrophobicContact CB-CZ 4.38Å; Y164-F192 HydrophobicContact CD2-CB 4.32Å; Y164-F192 HydrophobicContact CD2-CD1 4.11Å; Y164-F192 HydrophobicContact CD2-CG 4.16Å; Y164-F192 HydrophobicContact CE2-CB 3.78Å; Y164-F192 HydrophobicContact CE2-CD1 4.28Å; Y164-F192 HydrophobicContact CE2-CD2 4.26Å; Y164-F192 AromaticContact CE2-CG 3.85Å; Y164-F192 HydrophobicContact CE2-CG 3.85Å; N188-F192 PolarHBondContact O-N 3.47Å; Y189-F192 HydrophobicContact CD2-CB 4.35Å; Y189-F192 AromaticContact CD2-CD1 3.91Å; Y189-F192 HydrophobicContact CD2-CD1 3.91Å; Y189-F192 AromaticContact CE2-CD1 3.91Å; Y189-F192 HydrophobicContact CE2-CD1 3.91Å; Y189-F192 HydrophobicContact CE2-CE1 4.43Å; Y189-F192 VanDerWaalsContact O-CB 3.29Å; Y189-F192 WeakPolarHBondContact O-CB 3.4Å; Y189-F192 PolarHBondContact O-N 2.83Å; Y189-F192 VanDerWaalsContact O-N 3.11Å; S190-F192 VanDerWaalsContact C-N 3.29Å; S190-F192 PolarHBondContact O-N 3Å; F192-Y194 VanDerWaalsContact C-N 3.29Å; F192-Y194 PolarHBondContact O-N 3.05Å; F192-I196 HydrophobicContact CD2-CB 3.66Å; F192-I196 HydrophobicContact CD2-CG1 3.66Å; F192-I196 HydrophobicContact CD2-CG2 4.15Å; F192-I196 HydrophobicContact CE2-CB 3.66Å; F192-I196 HydrophobicContact CE2-CG1 4Å; F192-I196 HydrophobicContact CE2-CG2 3.61Å; F192-I196 HydrophobicContact CZ-CG2 4.39Å; F192-I196 WeakPolarHBondContact O-CB 3.35Å; F192-I196 PolarHBondContact O-N 2.96Å; F192-L197 HydrophobicContact CD1-CD1 4.03Å; F192-L197 HydrophobicContact CD1-CG 4.18Å; F192-L197 HydrophobicContact CE1-CD1 3.47Å; F192-L197 VanDerWaalsContact CE1-CD1 3.47Å; F192-L197 HydrophobicContact CE1-CD2 4.05Å; F192-L197 HydrophobicContact CE1-CG 3.63Å; F192-L197 HydrophobicContact CZ-CD1 4.11Å; F192-L197 HydrophobicContact CZ-CD2 3.8Å; F192-L197 HydrophobicContact CZ-CG 3.82Å; F192-L197 PolarHBondContact O-N 3.43Å; F192-L197 VanDerWaalsContact O-N 3.17Å
193	F	98.4	Very high	97.8	Very high	14 Å²	14	37.3 Å²	37.3	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-57.3	-44	174.8	-83.8	-70.4	0	0	0	111.7	Y189 S190 L197 N198 Q199 Q202 A203 M206	Y189-F193 HydrophobicContact CD1-CE2 4.34Å; Y189-F193 AromaticContact CD2-CD2 3.85Å; Y189-F193 HydrophobicContact CD2-CD2 3.85Å; Y189-F193 AromaticContact CD2-CE2 3.55Å; Y189-F193 HydrophobicContact CD2-CE2 3.55Å; Y189-F193 HydrophobicContact CD2-CZ 4.45Å; Y189-F193 HydrophobicContact CE1-CE2 4.09Å; Y189-F193 AromaticContact CE2-CD2 3.95Å; Y189-F193 HydrophobicContact CE2-CD2 3.95Å; Y189-F193 AromaticContact CE2-CE2 3.23Å; Y189-F193 HydrophobicContact CE2-CE2 3.23Å; Y189-F193 AromaticContact CE2-CZ 3.72Å; Y189-F193 HydrophobicContact CE2-CZ 3.72Å; Y189-F193 HydrophobicContact CG-CD2 4.41Å; Y189-F193 HydrophobicContact CG-CE2 4.1Å; Y189-F193 AromaticContact CZ-CE2 3.54Å; Y189-F193 AromaticContact CZ-CZ 3.87Å; Y189-F193 VanDerWaalsContact O-CD2 3.28Å; Y189-F193 WeakPolarHBondContact O-CD2 3.23Å; Y189-F193 PolarHBondContact O-N 2.9Å; S190-F193 WeakPolarHBondContact O-CB 3.4Å; S190-F193 PolarHBondContact O-N 3.15Å; F193-L197 HydrophobicContact CD1-CD1 3.66Å; F193-L197 HydrophobicContact CE1-CD1 3.73Å; F193-L197 CarbonylContact O-C 3.58Å; F193-N198 PolarHBondContact O-N 3.41Å; F193-N198 VanDerWaalsContact O-N 3.15Å; F193-Q199 HydrophobicContact CD1-CB 4.21Å; F193-Q199 VanDerWaalsContact CD1-OE1 3.23Å; F193-Q199 PolarHBondContact O-N 3.48Å; F193-Q202 HydrophobicContact CD1-CB 4.03Å; F193-Q202 HydrophobicContact CE1-CB 4.44Å; F193-Q202 HydrophobicContact CG-CB 4.38Å; F193-A203 HydrophobicContact CB-CB 3.79Å; F193-M206 HydrophobicContact CD2-CE 4.01Å; F193-M206 HydrophobicContact CD2-SD 4Å; F193-M206 HydrophobicContact CE2-CE 3.44Å; F193-M206 VanDerWaalsContact CE2-CE 3.44Å; F193-M206 HydrophobicContact CE2-SD 4Å; F193-M206 HydrophobicContact CZ-CE 4.4Å
194	Y	98	Very high	97.7	Very high	60 Å²	60	38 Å²	38	24%	0.235	19%	0.193	C	C	.	.	H	α-helix	trans	-70.3	-58.9	-178.9	-172.7	-86.7	0	0	0	111.9	S190 V191 F192 N198 P200 A203 W243 D246	S190-Y194 PolarHBondContact O-N 3.25Å; V191-Y194 PolarHBondContact O-N 3.23Å; F192-Y194 VanDerWaalsContact C-N 3.29Å; F192-Y194 PolarHBondContact O-N 3.05Å; Y194-N198 WeakPolarHBondContact O-CA 3.37Å; Y194-N198 PolarHBondContact O-N 3.4Å; Y194-P200 HydrophobicContact CD2-CB 3.88Å; Y194-P200 HydrophobicContact CE2-CB 3.99Å; Y194-A203 HydrophobicContact CD2-CB 4.46Å; Y194-W243 AromaticContact CD1-NE1 3.58Å; Y194-W243 HydrophobicContact CD2-CB 4.03Å; Y194-W243 AromaticContact CD2-CD1 3.46Å; Y194-W243 VanDerWaalsContact CD2-CD1 3.46Å; Y194-W243 AromaticContact CD2-CD2 3.68Å; Y194-W243 HydrophobicContact CD2-CD2 3.68Å; Y194-W243 AromaticContact CD2-CE2 3.78Å; Y194-W243 HydrophobicContact CD2-CE3 4.44Å; Y194-W243 AromaticContact CD2-CG 3.46Å; Y194-W243 HydrophobicContact CD2-CG 3.46Å; Y194-W243 VanDerWaalsContact CD2-CG 3.46Å; Y194-W243 AromaticContact CD2-NE1 3.63Å; Y194-W243 AromaticContact CE1-CD1 3.77Å; Y194-W243 AromaticContact CE1-NE1 3.63Å; Y194-W243 HydrophobicContact CE2-CB 3.7Å; Y194-W243 AromaticContact CE2-CD1 3.11Å; Y194-W243 HydrophobicContact CE2-CD2 4.1Å; Y194-W243 AromaticContact CE2-CG 3.37Å; Y194-W243 HydrophobicContact CE2-CG 3.37Å; Y194-W243 AromaticContact CE2-NE1 3.67Å; Y194-W243 AromaticContact CG-CD1 3.92Å; Y194-W243 HydrophobicContact CG-CD2 4.06Å; Y194-W243 AromaticContact CG-CE2 3.68Å; Y194-W243 HydrophobicContact CG-CG 4.19Å; Y194-W243 HydrophobicContact CG-CZ2 4.14Å; Y194-W243 AromaticContact CG-NE1 3.58Å; Y194-W243 AromaticContact CZ-CD1 3.28Å; Y194-W243 AromaticContact CZ-NE1 3.67Å; Y194-D246 PolarHBondContact OH-OD2 2.97Å
195	E	96	Very high	97.7	Very high	101 Å²	101	42.8 Å²	42.8	47%	0.472	21%	0.213	S	C	.	.	H	α-helix	trans	-80.2	-33.8	-168.7	-63.9	-176.1	161	0	0	113.9	R142 V191	R142-E195 IonicContact NH1-OE2 2.64Å; V191-E195 VanDerWaalsContact CG1-CD 3.47Å; V191-E195 HydrophobicContact CG1-CG 3.96Å; V191-E195 WeakPolarHBondContact CG1-OE2 3.37Å; V191-E195 WeakPolarHBondContact O-CB 3.16Å; V191-E195 PolarHBondContact O-N 3.29Å
196	I	97.3	Very high	97.7	Very high	18 Å²	18	44.6 Å²	44.6	9%	0.092	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-47.5	-172.6	-53.6	-53.9	0	0	0	112.1	R142 E146 F192 N198	R142-I196 HydrophobicContact CG-CD1 4.33Å; R142-I196 HydrophobicContact CG-CG1 3.83Å; E146-I196 HydrophobicContact CG-CD1 3.75Å; F192-I196 HydrophobicContact CD2-CB 3.66Å; F192-I196 HydrophobicContact CD2-CG1 3.66Å; F192-I196 HydrophobicContact CD2-CG2 4.15Å; F192-I196 HydrophobicContact CE2-CB 3.66Å; F192-I196 HydrophobicContact CE2-CG1 4Å; F192-I196 HydrophobicContact CE2-CG2 3.61Å; F192-I196 HydrophobicContact CZ-CG2 4.39Å; F192-I196 WeakPolarHBondContact O-CB 3.35Å; F192-I196 PolarHBondContact O-N 2.96Å; I196-N198 VanDerWaalsContact C-N 3.33Å
197	L	97	Very high	97.6	Very high	50 Å²	50	43.9 Å²	43.9	26%	0.262	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-11.6	-179	-60.1	-174	0	0	0	113	F192 F193 Q199	F192-L197 HydrophobicContact CD1-CD1 4.03Å; F192-L197 HydrophobicContact CD1-CG 4.18Å; F192-L197 HydrophobicContact CE1-CD1 3.47Å; F192-L197 VanDerWaalsContact CE1-CD1 3.47Å; F192-L197 HydrophobicContact CE1-CD2 4.05Å; F192-L197 HydrophobicContact CE1-CG 3.63Å; F192-L197 HydrophobicContact CZ-CD1 4.11Å; F192-L197 HydrophobicContact CZ-CD2 3.8Å; F192-L197 HydrophobicContact CZ-CG 3.82Å; F192-L197 PolarHBondContact O-N 3.43Å; F192-L197 VanDerWaalsContact O-N 3.17Å; F193-L197 HydrophobicContact CD1-CD1 3.66Å; F193-L197 HydrophobicContact CE1-CD1 3.73Å; F193-L197 CarbonylContact O-C 3.58Å; L197-Q199 HydrophobicContact CB-CB 4.35Å; L197-Q199 HydrophobicContact CB-CG 4.11Å; L197-Q199 PolarHBondContact O-N 3.07Å
198	N	96.2	Very high	97.6	Very high	136 Å²	136	48.7 Å²	48.7	73%	0.727	24%	0.236	S	C	*	.			trans	54	43.8	-176.2	-164.5	49.6	0	0	0	111.9	F193 Y194 I196 P200	F193-N198 PolarHBondContact O-N 3.41Å; F193-N198 VanDerWaalsContact O-N 3.15Å; Y194-N198 WeakPolarHBondContact O-CA 3.37Å; Y194-N198 PolarHBondContact O-N 3.4Å; I196-N198 VanDerWaalsContact C-N 3.33Å; N198-P200 VanDerWaalsContact O-CD 3.26Å; N198-P200 WeakPolarHBondContact O-CD 3.38Å
199	Q	97.3	Very high	97.6	Very high	69 Å²	69	53 Å²	53	32%	0.322	25%	0.25	S	S	.	.			trans	-118	68	-178.1	-73.2	174.9	-17.3	0	0	110	F193 L197 H201 Q202 A203	F193-Q199 HydrophobicContact CD1-CB 4.21Å; F193-Q199 VanDerWaalsContact CD1-OE1 3.23Å; F193-Q199 PolarHBondContact O-N 3.48Å; L197-Q199 HydrophobicContact CB-CB 4.35Å; L197-Q199 HydrophobicContact CB-CG 4.11Å; L197-Q199 PolarHBondContact O-N 3.07Å; Q199-H201 VanDerWaalsContact C-N 3.31Å; Q199-H201 PolarHBondContact O-N 3.07Å; Q199-Q202 HydrophobicContact CB-CB 4.21Å; Q199-Q202 HydrophobicContact CB-CG 4.49Å; Q199-Q202 PolarHBondContact O-N 3.4Å; Q199-A203 PolarHBondContact O-N 2.93Å
200	P	96.6	Very high	97.5	Very high	30 Å²	30	53.8 Å²	53.8	20%	0.195	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-35.3	-173	25.2	-35.8	0	0	0	113.1	Y194 N198 Q202 A203 C204 L247	Y194-P200 HydrophobicContact CD2-CB 3.88Å; Y194-P200 HydrophobicContact CE2-CB 3.99Å; N198-P200 VanDerWaalsContact O-CD 3.26Å; N198-P200 WeakPolarHBondContact O-CD 3.38Å; P200-Q202 PolarHBondContact O-N 2.64Å; P200-A203 WeakPolarHBondContact O-CB 3.27Å; P200-A203 PolarHBondContact O-N 3.21Å; P200-C204 WeakPolarHBondContact O-CB 3.48Å; P200-C204 PolarHBondContact O-N 2.96Å; P200-C204 PolarHBondContact O-SG 2.94Å; P200-C204 VanDerWaalsContact O-SG 3.35Å; P200-L247 HydrophobicContact CB-CD1 4.4Å; P200-L247 HydrophobicContact CB-CD2 3.9Å; P200-L247 HydrophobicContact CB-CG 4.3Å; P200-L247 HydrophobicContact CG-CD2 3.77Å
201	H	95.6	Very high	97.5	Very high	124 Å²	124	55.4 Å²	55.4	57%	0.574	26%	0.264	S	S	*	.	H	α-helix	trans	-61.5	-45.2	175.9	-69.4	-63.9	0	0	0	112.6	Q199 C204 E205	Q199-H201 VanDerWaalsContact C-N 3.31Å; Q199-H201 PolarHBondContact O-N 3.07Å; H201-C204 PolarHBondContact O-N 3.16Å; H201-E205 WeakPolarHBondContact O-CB 3.24Å; H201-E205 PolarHBondContact O-N 2.9Å
202	Q	97	Very high	97.5	Very high	88 Å²	88	57.8 Å²	57.8	41%	0.411	28%	0.276	S	S	.	.	H	α-helix	trans	-69.3	-36.6	178.5	-67	177.3	-96.3	0	0	111.4	F193 Q199 P200 E205 M206	F193-Q202 HydrophobicContact CD1-CB 4.03Å; F193-Q202 HydrophobicContact CE1-CB 4.44Å; F193-Q202 HydrophobicContact CG-CB 4.38Å; Q199-Q202 HydrophobicContact CB-CB 4.21Å; Q199-Q202 HydrophobicContact CB-CG 4.49Å; Q199-Q202 PolarHBondContact O-N 3.4Å; P200-Q202 PolarHBondContact O-N 2.64Å; Q202-E205 PolarHBondContact O-N 3.43Å; Q202-M206 WeakPolarHBondContact O-CB 3.24Å; Q202-M206 PolarHBondContact O-N 3.43Å
203	A	97.9	Very high	97.4	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-49.1	173.3	0	0	0	0	0	111.7	S190 F193 Y194 Q199 P200 M206 A207 W243	S190-A203 WeakPolarHBondContact CB-O 3.49Å; S190-A203 VanDerWaalsContact O-CB 3.25Å; S190-A203 WeakPolarHBondContact O-CB 3.35Å; F193-A203 HydrophobicContact CB-CB 3.79Å; Y194-A203 HydrophobicContact CD2-CB 4.46Å; Q199-A203 PolarHBondContact O-N 2.93Å; P200-A203 WeakPolarHBondContact O-CB 3.27Å; P200-A203 PolarHBondContact O-N 3.21Å; A203-M206 PolarHBondContact O-N 3.4Å; A203-A207 WeakPolarHBondContact O-CB 3.32Å; A203-A207 PolarHBondContact O-N 2.86Å; A203-W243 HydrophobicContact CB-CE3 4.2Å; A203-W243 HydrophobicContact CB-CZ3 4.05Å
204	C	97.8	Very high	97.3	Very high	16 Å²	16	60.3 Å²	60.3	11%	0.108	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-43	177.5	-71.1	0	0	0	0	112.1	P200 H201 M206 A207 K208 L240	P200-C204 WeakPolarHBondContact O-CB 3.48Å; P200-C204 PolarHBondContact O-N 2.96Å; P200-C204 PolarHBondContact O-SG 2.94Å; P200-C204 VanDerWaalsContact O-SG 3.35Å; H201-C204 PolarHBondContact O-N 3.16Å; C204-M206 PolarHBondContact O-N 3.5Å; C204-A207 PolarHBondContact O-N 3.35Å; C204-K208 WeakPolarHBondContact O-CB 3.43Å; C204-K208 PolarHBondContact O-N 3.17Å; C204-L240 HydrophobicContact CB-CD2 4.2Å; C204-L240 WeakPolarHBondContact O-CD2 3.29Å
205	E	97.5	Very high	97.2	Very high	110 Å²	110	61.6 Å²	61.6	51%	0.514	30%	0.3	S	S	.	.	H	α-helix	trans	-60.1	-46.4	177.6	-169.9	-171.1	161	0	0	111.4	H201 Q202 R209	H201-E205 WeakPolarHBondContact O-CB 3.24Å; H201-E205 PolarHBondContact O-N 2.9Å; Q202-E205 PolarHBondContact O-N 3.43Å; E205-R209 VanDerWaalsContact O-CB 3.32Å; E205-R209 WeakPolarHBondContact O-CB 3.42Å; E205-R209 PolarHBondContact O-N 2.88Å; E205-R209 IonicContact OE1-CZ 2.69Å; E205-R209 IonicContact OE1-NH2 3.64Å; E205-R209 PolarHBondContact OE1-NH2 3.01Å
206	M	98.1	Very high	97.1	Very high	40 Å²	40	62.3 Å²	62.3	20%	0.197	31%	0.311	C	S	.	.	H	α-helix	trans	-62.8	-50.2	178.3	175.5	170.3	-70.9	0	0	112.2	Y189 F193 Q202 A203 C204 K208 R209 A210	Y189-M206 HydrophobicContact CD1-CE 3.55Å; Y189-M206 HydrophobicContact CD1-SD 3.63Å; Y189-M206 HydrophobicContact CD2-SD 4.47Å; Y189-M206 HydrophobicContact CE1-CE 3.73Å; Y189-M206 HydrophobicContact CE1-SD 4.4Å; Y189-M206 HydrophobicContact CG-CE 4.07Å; Y189-M206 HydrophobicContact CG-SD 3.67Å; F193-M206 HydrophobicContact CD2-CE 4.01Å; F193-M206 HydrophobicContact CD2-SD 4Å; F193-M206 HydrophobicContact CE2-CE 3.44Å; F193-M206 VanDerWaalsContact CE2-CE 3.44Å; F193-M206 HydrophobicContact CE2-SD 4Å; F193-M206 HydrophobicContact CZ-CE 4.4Å; Q202-M206 WeakPolarHBondContact O-CB 3.24Å; Q202-M206 PolarHBondContact O-N 3.43Å; A203-M206 PolarHBondContact O-N 3.4Å; C204-M206 PolarHBondContact O-N 3.5Å; M206-K208 VanDerWaalsContact C-N 3.31Å; M206-K208 PolarHBondContact O-N 3.13Å; M206-R209 PolarHBondContact O-N 3.33Å; M206-A210 PolarHBondContact O-N 3.17Å
207	A	98	Very high	97	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-39.4	-179.1	0	0	0	0	0	111.6	A203 C204 F211 L236 L240 W243	A203-A207 WeakPolarHBondContact O-CB 3.32Å; A203-A207 PolarHBondContact O-N 2.86Å; C204-A207 PolarHBondContact O-N 3.35Å; A207-F211 WeakPolarHBondContact O-CB 3.49Å; A207-F211 PolarHBondContact O-N 3.19Å; A207-L236 HydrophobicContact CB-CD2 3.9Å; A207-L240 HydrophobicContact CB-CD1 4.34Å; A207-L240 HydrophobicContact CB-CD2 3.78Å; A207-L240 HydrophobicContact CB-CG 3.88Å; A207-W243 HydrophobicContact CB-CZ3 4.25Å
208	K	97.8	Very high	96.7	Very high	118 Å²	118	65.1 Å²	65.1	51%	0.513	32%	0.322	S	S	.	.	H	α-helix	trans	-66	-47.9	177.5	-176.6	175.9	-180	-177.2	0	111.6	C204 M206 A210 F211 D212 L240	C204-K208 WeakPolarHBondContact O-CB 3.43Å; C204-K208 PolarHBondContact O-N 3.17Å; M206-K208 VanDerWaalsContact C-N 3.31Å; M206-K208 PolarHBondContact O-N 3.13Å; K208-A210 PolarHBondContact O-N 3.3Å; K208-F211 PolarHBondContact O-N 2.95Å; K208-D212 WeakPolarHBondContact CE-OD2 3.02Å; K208-D212 WeakPolarHBondContact CG-OD2 3.46Å; K208-D212 WeakPolarHBondContact O-CB 3.49Å; K208-D212 VanDerWaalsContact O-CG 3.31Å; K208-D212 PolarHBondContact O-N 3.47Å; K208-L240 HydrophobicContact CB-CD1 4.19Å; K208-L240 HydrophobicContact CB-CD2 4.03Å
209	R	98.1	Very high	96.5	Very high	120 Å²	120	66.1 Å²	66.1	45%	0.453	33%	0.328	S	S	.	.	H	α-helix	trans	-56.7	-49.6	177.6	-171.9	-172.9	-54.6	162.8	1.8	111.3	E205 M206 F211 D212 D213	E205-R209 VanDerWaalsContact O-CB 3.32Å; E205-R209 WeakPolarHBondContact O-CB 3.42Å; E205-R209 PolarHBondContact O-N 2.88Å; E205-R209 IonicContact OE1-CZ 2.69Å; E205-R209 IonicContact OE1-NH2 3.64Å; E205-R209 PolarHBondContact OE1-NH2 3.01Å; M206-R209 PolarHBondContact O-N 3.33Å; R209-F211 VanDerWaalsContact C-N 3.3Å; R209-F211 PolarHBondContact O-N 3.31Å; R209-D212 PolarHBondContact O-N 3.42Å; R209-D213 WeakPolarHBondContact O-CB 3.45Å; R209-D213 PolarHBondContact O-N 2.86Å
210	A	98	Very high	96.2	Very high	17 Å²	17	69.5 Å²	69.5	14%	0.14	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-38.4	178.8	0	0	0	0	0	112.8	A186 M206 K208 A214 L236	A186-A210 HydrophobicContact CB-CB 3.44Å; A186-A210 VanDerWaalsContact CB-CB 3.44Å; M206-A210 PolarHBondContact O-N 3.17Å; K208-A210 PolarHBondContact O-N 3.3Å; A210-A214 VanDerWaalsContact O-CB 3.23Å; A210-A214 WeakPolarHBondContact O-CB 3.48Å; A210-A214 PolarHBondContact O-N 3.43Å; A210-A214 VanDerWaalsContact O-N 3.16Å; A210-L236 HydrophobicContact CB-CD1 4.32Å
211	F	97.8	Very high	96	Very high	34 Å²	34	69.2 Å²	69.2	15%	0.149	35%	0.345	C	S	.	.	H	α-helix	trans	-68.2	-47.2	177	-175.2	-98.6	0	0	0	112.2	A207 K208 R209 A214 I215 M233 L236 R237	A207-F211 WeakPolarHBondContact O-CB 3.49Å; A207-F211 PolarHBondContact O-N 3.19Å; K208-F211 PolarHBondContact O-N 2.95Å; R209-F211 VanDerWaalsContact C-N 3.3Å; R209-F211 PolarHBondContact O-N 3.31Å; F211-A214 PolarHBondContact O-N 3.11Å; F211-I215 HydrophobicContact CD1-CD1 3.62Å; F211-I215 HydrophobicContact CD1-CG1 4.33Å; F211-I215 HydrophobicContact CE1-CD1 3.09Å; F211-I215 HydrophobicContact CE1-CG1 4.11Å; F211-I215 HydrophobicContact CE2-CD1 4.29Å; F211-I215 HydrophobicContact CG-CD1 4.43Å; F211-I215 HydrophobicContact CZ-CD1 3.47Å; F211-I215 VanDerWaalsContact CZ-CD1 3.47Å; F211-I215 HydrophobicContact CZ-CG1 4.29Å; F211-I215 WeakPolarHBondContact O-CB 3.28Å; F211-I215 WeakPolarHBondContact O-CG1 3.37Å; F211-I215 PolarHBondContact O-N 3.36Å; F211-M233 HydrophobicContact CD2-CB 4.11Å; F211-M233 HydrophobicContact CD2-CE 4.4Å; F211-M233 WeakPolarHBondContact CD2-O 3.41Å; F211-M233 HydrophobicContact CE2-CB 4.09Å; F211-M233 HydrophobicContact CE2-CE 4.39Å; F211-M233 WeakPolarHBondContact CE2-O 3.34Å; F211-L236 HydrophobicContact CD2-CB 4.41Å; F211-R237 HydrophobicContact CD2-CB 4.43Å; F211-R237 HydrophobicContact CE2-CB 3.88Å; F211-R237 HydrophobicContact CE2-CG 4.45Å; F211-R237 HydrophobicContact CZ-CB 4.18Å; F211-R237 HydrophobicContact CZ-CG 4.24Å
212	D	97.8	Very high	95.8	Very high	69 Å²	69	66.2 Å²	66.2	37%	0.369	34%	0.338	S	S	.	.	H	α-helix	trans	-66.4	-42.4	-179	-68.9	-15.2	0	0	0	111.6	K208 R209 A214 I215 T216	K208-D212 WeakPolarHBondContact CE-OD2 3.02Å; K208-D212 WeakPolarHBondContact CG-OD2 3.46Å; K208-D212 WeakPolarHBondContact O-CB 3.49Å; K208-D212 VanDerWaalsContact O-CG 3.31Å; K208-D212 PolarHBondContact O-N 3.47Å; R209-D212 PolarHBondContact O-N 3.42Å; D212-A214 PolarHBondContact O-N 3.42Å; D212-I215 PolarHBondContact O-N 2.72Å; D212-T216 PolarHBondContact O-N 3.16Å; D212-T216 VanDerWaalsContact O-N 3.11Å; D212-T216 PolarHBondContact O-OG1 3.06Å
213	D	96.7	Very high	95.5	Very high	67 Å²	67	70.7 Å²	70.7	36%	0.358	36%	0.359	S	S	.	.	H	α-helix	trans	-61.9	-44	176	-69.8	-11.6	0	0	0	111	S177 R209 T216 E217	S177-D213 PolarHBondContact OG-O 3.42Å; R209-D213 WeakPolarHBondContact O-CB 3.45Å; R209-D213 PolarHBondContact O-N 2.86Å; D213-T216 PolarHBondContact O-N 3.18Å; D213-E217 PolarHBondContact O-N 3.4Å
214	A	96.7	Very high	95.1	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-71.1	-37.5	179.3	0	0	0	0	0	112.6	T178 L183 A210 F211 D212 T216 E217 F218 M233	T178-A214 HydrophobicContact CG2-CB 4.28Å; T178-A214 WeakPolarHBondContact CG2-O 3.37Å; L183-A214 HydrophobicContact CD2-CB 3.69Å; A210-A214 VanDerWaalsContact O-CB 3.23Å; A210-A214 WeakPolarHBondContact O-CB 3.48Å; A210-A214 PolarHBondContact O-N 3.43Å; A210-A214 VanDerWaalsContact O-N 3.16Å; F211-A214 PolarHBondContact O-N 3.11Å; D212-A214 PolarHBondContact O-N 3.42Å; A214-T216 VanDerWaalsContact C-N 3.27Å; A214-T216 PolarHBondContact O-N 3.25Å; A214-E217 PolarHBondContact O-N 2.9Å; A214-F218 WeakPolarHBondContact O-CA 3.13Å; A214-F218 VanDerWaalsContact O-CB 3.26Å; A214-F218 WeakPolarHBondContact O-CB 3.42Å; A214-F218 PolarHBondContact O-N 2.94Å; A214-M233 HydrophobicContact CB-CE 3.86Å; A214-M233 HydrophobicContact CB-CG 4.37Å; A214-M233 HydrophobicContact CB-SD 3.89Å
215	I	95.9	Very high	94.9	Very high	87 Å²	87	78.4 Å²	78.4	45%	0.446	40%	0.402	S	S	.	.	H	α-helix	trans	-57.8	-43.7	173.4	-82	-175.5	0	0	0	110.9	F211 D212 E217 F218 M233	F211-I215 HydrophobicContact CD1-CD1 3.62Å; F211-I215 HydrophobicContact CD1-CG1 4.33Å; F211-I215 HydrophobicContact CE1-CD1 3.09Å; F211-I215 HydrophobicContact CE1-CG1 4.11Å; F211-I215 HydrophobicContact CE2-CD1 4.29Å; F211-I215 HydrophobicContact CG-CD1 4.43Å; F211-I215 HydrophobicContact CZ-CD1 3.47Å; F211-I215 VanDerWaalsContact CZ-CD1 3.47Å; F211-I215 HydrophobicContact CZ-CG1 4.29Å; F211-I215 WeakPolarHBondContact O-CB 3.28Å; F211-I215 WeakPolarHBondContact O-CG1 3.37Å; F211-I215 PolarHBondContact O-N 3.36Å; D212-I215 PolarHBondContact O-N 2.72Å; I215-E217 PolarHBondContact O-N 3.39Å; I215-F218 PolarHBondContact O-N 3.25Å; I215-M233 HydrophobicContact CB-CE 4.37Å; I215-M233 HydrophobicContact CG1-CE 3.47Å; I215-M233 VanDerWaalsContact CG1-CE 3.47Å
216	T	95.3	Very high	94.7	Very high	115 Å²	115	79.3 Å²	79.3	71%	0.706	40%	0.402	S	S	*	.	H	α-helix	trans	-63.2	-33.4	-175.4	-58.2	0	0	0	0	112.2	D212 D213 A214	D212-T216 PolarHBondContact O-N 3.16Å; D212-T216 VanDerWaalsContact O-N 3.11Å; D212-T216 PolarHBondContact O-OG1 3.06Å; D213-T216 PolarHBondContact O-N 3.18Å; A214-T216 VanDerWaalsContact C-N 3.27Å; A214-T216 PolarHBondContact O-N 3.25Å
217	E	93.6	Very high	94.6	Very high	91 Å²	91	85.3 Å²	85.3	43%	0.425	43%	0.427	S	S	.	.	H	α-helix	trans	-104.9	4.5	-178.5	-62.4	-172	178	0	0	113.4	S177 T178 D213 A214 I215 D219 N220	S177-E217 PolarHBondContact OG-OE2 2.87Å; T178-E217 HydrophobicContact CG2-CB 3.92Å; D213-E217 PolarHBondContact O-N 3.4Å; A214-E217 PolarHBondContact O-N 2.9Å; I215-E217 PolarHBondContact O-N 3.39Å; E217-D219 PolarHBondContact O-N 3.38Å; E217-D219 VanDerWaalsContact O-N 3.17Å; E217-N220 WeakPolarHBondContact O-CB 3.31Å; E217-N220 PolarHBondContact O-N 3.13Å
218	F	91.9	Very high	94.5	Very high	36 Å²	36	89.4 Å²	89.4	16%	0.158	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-63	-29.6	-167.9	-158	-107.8	0	0	0	113.6	T178 A214 I215 N220 V221 Y226 T230 M233	T178-F218 HydrophobicContact CG2-CD2 4.32Å; A214-F218 WeakPolarHBondContact O-CA 3.13Å; A214-F218 VanDerWaalsContact O-CB 3.26Å; A214-F218 WeakPolarHBondContact O-CB 3.42Å; A214-F218 PolarHBondContact O-N 2.94Å; I215-F218 PolarHBondContact O-N 3.25Å; F218-N220 PolarHBondContact O-N 2.87Å; F218-N220 VanDerWaalsContact O-N 3.13Å; F218-V221 HydrophobicContact CD2-CG2 3.82Å; F218-V221 HydrophobicContact CE2-CG2 4Å; F218-V221 HydrophobicContact CG-CG2 4.34Å; F218-V221 WeakPolarHBondContact O-CB 3.37Å; F218-V221 VanDerWaalsContact O-CG2 3.24Å; F218-V221 WeakPolarHBondContact O-CG2 3.2Å; F218-V221 PolarHBondContact O-N 3.46Å; F218-V221 VanDerWaalsContact O-N 3.17Å; F218-Y226 HydrophobicContact CD1-CE2 4.35Å; F218-Y226 HydrophobicContact CE1-CD2 4.02Å; F218-Y226 AromaticContact CE1-CE2 3.45Å; F218-Y226 HydrophobicContact CE1-CE2 3.45Å; F218-Y226 VanDerWaalsContact CE1-CE2 3.45Å; F218-Y226 AromaticContact CE1-CZ 3.94Å; F218-Y226 HydrophobicContact CZ-CD2 4.1Å; F218-Y226 AromaticContact CZ-CE2 3.96Å; F218-Y226 HydrophobicContact CZ-CE2 3.96Å; F218-T230 VanDerWaalsContact CZ-OG1 3.31Å; F218-T230 WeakPolarHBondContact CZ-OG1 3.18Å; F218-M233 HydrophobicContact CD2-CE 4.05Å; F218-M233 HydrophobicContact CD2-SD 3.42Å; F218-M233 WeakPolarHBondContact CD2-SD 3.37Å; F218-M233 HydrophobicContact CE2-CE 4.48Å; F218-M233 HydrophobicContact CE2-SD 3.4Å; F218-M233 WeakPolarHBondContact CE2-SD 3.45Å; F218-M233 HydrophobicContact CG-SD 4.41Å; F218-M233 HydrophobicContact CZ-SD 4.36Å
219	D	92	Very high	94.4	Very high	158 Å²	158	83.8 Å²	83.8	85%	0.845	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-63.6	-17.1	177.7	-68.9	-21.6	0	0	0	113.1	E217	E217-D219 PolarHBondContact O-N 3.38Å; E217-D219 VanDerWaalsContact O-N 3.17Å
220	N	90.7	Very high	94.4	Very high	140 Å²	140	80.8 Å²	80.8	75%	0.749	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-97.7	5.1	-179.7	-58.7	-50.2	0	0	0	113.6	E217 F218	E217-N220 WeakPolarHBondContact O-CB 3.31Å; E217-N220 PolarHBondContact O-N 3.13Å; F218-N220 PolarHBondContact O-N 2.87Å; F218-N220 VanDerWaalsContact O-N 3.13Å
221	V	92	Very high	94.4	Very high	23 Å²	23	84.9 Å²	84.9	14%	0.139	44%	0.438	C	S	.	.			trans	-69.9	135.6	-177.7	177	0	0	0	0	110.9	T178 F218 Y226	T178-V221 HydrophobicContact CG2-CG2 3.57Å; F218-V221 HydrophobicContact CD2-CG2 3.82Å; F218-V221 HydrophobicContact CE2-CG2 4Å; F218-V221 HydrophobicContact CG-CG2 4.34Å; F218-V221 WeakPolarHBondContact O-CB 3.37Å; F218-V221 VanDerWaalsContact O-CG2 3.24Å; F218-V221 WeakPolarHBondContact O-CG2 3.2Å; F218-V221 PolarHBondContact O-N 3.46Å; F218-V221 VanDerWaalsContact O-N 3.17Å; V221-Y226 HydrophobicContact CG1-CD2 4.46Å
222	S	90.8	Very high	94.4	Very high	61 Å²	61	84.6 Å²	84.6	43%	0.427	44%	0.438	S	S	.	.			trans	-68.1	151.1	175.2	68.6	0	0	0	0	111.6	D224 S225 Y226	S222-D224 PolarHBondContact O-N 3.44Å; S222-S225 PolarHBondContact O-N 3.01Å; S222-S225 PolarHBondContact OG-N 3.02Å; S222-S225 PolarHBondContact OG-OG 2.89Å; S222-Y226 PolarHBondContact O-N 3.49Å
223	E	91.1	Very high	94.4	Very high	182 Å²	182	81.9 Å²	81.9	85%	0.85	42%	0.423	S	S	*	.	H	α-helix	trans	-55.7	-38	178.5	-170	173.6	-177.5	0	0	112	S225 Y226	E223-S225 VanDerWaalsContact C-N 3.33Å; E223-S225 PolarHBondContact O-N 3.47Å; E223-Y226 PolarHBondContact O-N 2.69Å
224	D	90.5	Very high	94.4	Very high	150 Å²	150	81.8 Å²	81.8	80%	0.802	42%	0.42	S	S	*	.	H	α-helix	trans	-64.9	-33.2	179.2	-65.1	-31.5	0	0	0	113.3	S222	S222-D224 PolarHBondContact O-N 3.44Å
225	S	92.7	Very high	94.5	Very high	29 Å²	29	85.2 Å²	85.2	20%	0.203	44%	0.439	C	S	.	.	H	α-helix	trans	-94.7	-19	-179.1	-63.4	0	0	0	0	113.3	S222 E223 K227 D228 S229	S222-S225 PolarHBondContact O-N 3.01Å; S222-S225 PolarHBondContact OG-N 3.02Å; S222-S225 PolarHBondContact OG-OG 2.89Å; E223-S225 VanDerWaalsContact C-N 3.33Å; E223-S225 PolarHBondContact O-N 3.47Å; S225-K227 PolarHBondContact O-N 2.94Å; S225-D228 PolarHBondContact O-N 2.88Å; S225-S229 WeakPolarHBondContact O-CB 3.43Å; S225-S229 PolarHBondContact O-N 2.94Å; S225-S229 PolarHBondContact O-OG 2.92Å
226	Y	93.8	Very high	94.6	Very high	128 Å²	128	81.1 Å²	81.1	50%	0.502	42%	0.417	S	S	.	.	H	α-helix	trans	-51	-52	-170.3	-173.8	-90.2	0	0	0	112.7	F218 V221 S222 E223 D228 S229 T230	F218-Y226 HydrophobicContact CD1-CE2 4.35Å; F218-Y226 HydrophobicContact CE1-CD2 4.02Å; F218-Y226 AromaticContact CE1-CE2 3.45Å; F218-Y226 HydrophobicContact CE1-CE2 3.45Å; F218-Y226 VanDerWaalsContact CE1-CE2 3.45Å; F218-Y226 AromaticContact CE1-CZ 3.94Å; F218-Y226 HydrophobicContact CZ-CD2 4.1Å; F218-Y226 AromaticContact CZ-CE2 3.96Å; F218-Y226 HydrophobicContact CZ-CE2 3.96Å; V221-Y226 HydrophobicContact CG1-CD2 4.46Å; S222-Y226 PolarHBondContact O-N 3.49Å; E223-Y226 PolarHBondContact O-N 2.69Å; Y226-D228 PolarHBondContact O-N 3.03Å; Y226-S229 PolarHBondContact O-N 3.39Å; Y226-T230 WeakPolarHBondContact O-CB 3.48Å; Y226-T230 PolarHBondContact O-N 2.76Å; Y226-T230 PolarHBondContact O-OG1 2.95Å
227	K	95.6	Very high	94.7	Very high	167 Å²	167	81.1 Å²	81.1	73%	0.726	40%	0.404	S	S	*	.	H	α-helix	trans	-62.1	-45.2	-176.7	-176.5	-177.2	174.7	-172.6	0	112.5	S225 L231	S225-K227 PolarHBondContact O-N 2.94Å; K227-L231 WeakPolarHBondContact O-CB 3.43Å; K227-L231 PolarHBondContact O-N 3.49Å; K227-L231 VanDerWaalsContact O-N 3.1Å
228	D	95.8	Very high	94.9	Very high	86 Å²	86	80.1 Å²	80.1	46%	0.46	40%	0.402	S	S	.	.	H	α-helix	trans	-71.2	-43.1	-177.5	-71.8	-16.9	0	0	0	110.8	P180 S225 Y226 L231 I232	P180-D228 HydrophobicContact CB-CB 4.02Å; P180-D228 HydrophobicContact CG-CB 4.03Å; S225-D228 PolarHBondContact O-N 2.88Å; Y226-D228 PolarHBondContact O-N 3.03Å; D228-L231 PolarHBondContact O-N 2.92Å; D228-I232 VanDerWaalsContact O-CG1 3.25Å; D228-I232 WeakPolarHBondContact O-CG1 3.29Å; D228-I232 PolarHBondContact O-N 3.4Å
229	S	96.7	Very high	95.1	Very high	0 Å²	0	80.1 Å²	80.1	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-62	-44.8	175.9	-62.6	0	0	0	0	111.9	T178 P180 S225 Y226 L231 I232 M233	T178-S229 WeakPolarHBondContact O-CB 3.23Å; T178-S229 PolarHBondContact O-OG 2.86Å; P180-S229 WeakPolarHBondContact CD-OG 3.44Å; P180-S229 WeakPolarHBondContact CG-OG 3.44Å; S225-S229 WeakPolarHBondContact O-CB 3.43Å; S225-S229 PolarHBondContact O-N 2.94Å; S225-S229 PolarHBondContact O-OG 2.92Å; Y226-S229 PolarHBondContact O-N 3.39Å; S229-L231 VanDerWaalsContact C-N 3.34Å; S229-L231 PolarHBondContact O-N 3.48Å; S229-I232 PolarHBondContact O-N 3.02Å; S229-M233 WeakPolarHBondContact O-CB 3.21Å; S229-M233 VanDerWaalsContact O-CG 3.26Å; S229-M233 WeakPolarHBondContact O-CG 3.4Å; S229-M233 PolarHBondContact O-N 2.89Å
230	T	97.1	Very high	95.4	Very high	57 Å²	57	73.8 Å²	73.8	35%	0.35	37%	0.37	S	S	.	.	H	α-helix	trans	-58.5	-45.7	175.2	-60.2	0	0	0	0	111.6	F218 Y226 I232 M233 Q234	F218-T230 VanDerWaalsContact CZ-OG1 3.31Å; F218-T230 WeakPolarHBondContact CZ-OG1 3.18Å; Y226-T230 WeakPolarHBondContact O-CB 3.48Å; Y226-T230 PolarHBondContact O-N 2.76Å; Y226-T230 PolarHBondContact O-OG1 2.95Å; T230-I232 VanDerWaalsContact C-N 3.34Å; T230-I232 PolarHBondContact O-N 3.49Å; T230-M233 PolarHBondContact O-N 3.49Å; T230-Q234 WeakPolarHBondContact O-CB 3.36Å; T230-Q234 PolarHBondContact O-N 3.35Å
231	L	97.7	Very high	95.6	Very high	103 Å²	103	71.1 Å²	71.1	54%	0.539	36%	0.359	S	S	.	.	H	α-helix	trans	-61.5	-42.9	179.5	178.4	61.9	0	0	0	111.5	K227 D228 S229 Q234 L235	K227-L231 WeakPolarHBondContact O-CB 3.43Å; K227-L231 PolarHBondContact O-N 3.49Å; K227-L231 VanDerWaalsContact O-N 3.1Å; D228-L231 PolarHBondContact O-N 2.92Å; S229-L231 VanDerWaalsContact C-N 3.34Å; S229-L231 PolarHBondContact O-N 3.48Å; L231-Q234 WeakPolarHBondContact O-CB 3.36Å; L231-Q234 PolarHBondContact O-N 3.28Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 3.46Å; L231-L235 VanDerWaalsContact O-N 3.13Å
232	I	98	Very high	95.7	Very high	27 Å²	27	74.8 Å²	74.8	14%	0.138	38%	0.377	C	S	.	.	H	α-helix	trans	-71.1	-40.6	-179.1	-61.4	165.4	0	0	0	111.3	P180 L183 L187 D228 S229 T230 Q234 L235 L236	P180-I232 HydrophobicContact CB-CD1 4.12Å; P180-I232 VanDerWaalsContact O-CD1 3.23Å; P180-I232 WeakPolarHBondContact O-CD1 3.45Å; L183-I232 HydrophobicContact CB-CB 4.17Å; L183-I232 HydrophobicContact CB-CD1 4.45Å; L183-I232 HydrophobicContact CB-CG2 3.62Å; L187-I232 HydrophobicContact CB-CG2 4.3Å; L187-I232 HydrophobicContact CD2-CG2 4.17Å; D228-I232 VanDerWaalsContact O-CG1 3.25Å; D228-I232 WeakPolarHBondContact O-CG1 3.29Å; D228-I232 PolarHBondContact O-N 3.4Å; S229-I232 PolarHBondContact O-N 3.02Å; T230-I232 VanDerWaalsContact C-N 3.34Å; T230-I232 PolarHBondContact O-N 3.49Å; I232-Q234 VanDerWaalsContact C-N 3.27Å; I232-Q234 PolarHBondContact O-N 2.88Å; I232-L235 WeakPolarHBondContact O-CB 3.38Å; I232-L235 PolarHBondContact O-N 3.49Å; I232-L235 VanDerWaalsContact O-N 3.15Å; I232-L236 PolarHBondContact O-N 3.13Å
233	M	97.8	Very high	95.9	Very high	13 Å²	13	72.2 Å²	72.2	6%	0.064	36%	0.358	C	S	.	.	H	α-helix	trans	-61.2	-37.8	174.6	-72	174.4	72	0	0	111.8	L183 F211 A214 I215 F218 S229 T230 L236 R237	L183-M233 HydrophobicContact CD1-CG 3.93Å; L183-M233 HydrophobicContact CD1-SD 4.38Å; L183-M233 HydrophobicContact CD2-CG 4.07Å; F211-M233 HydrophobicContact CD2-CB 4.11Å; F211-M233 HydrophobicContact CD2-CE 4.4Å; F211-M233 WeakPolarHBondContact CD2-O 3.41Å; F211-M233 HydrophobicContact CE2-CB 4.09Å; F211-M233 HydrophobicContact CE2-CE 4.39Å; F211-M233 WeakPolarHBondContact CE2-O 3.34Å; A214-M233 HydrophobicContact CB-CE 3.86Å; A214-M233 HydrophobicContact CB-CG 4.37Å; A214-M233 HydrophobicContact CB-SD 3.89Å; I215-M233 HydrophobicContact CB-CE 4.37Å; I215-M233 HydrophobicContact CG1-CE 3.47Å; I215-M233 VanDerWaalsContact CG1-CE 3.47Å; F218-M233 HydrophobicContact CD2-CE 4.05Å; F218-M233 HydrophobicContact CD2-SD 3.42Å; F218-M233 WeakPolarHBondContact CD2-SD 3.37Å; F218-M233 HydrophobicContact CE2-CE 4.48Å; F218-M233 HydrophobicContact CE2-SD 3.4Å; F218-M233 WeakPolarHBondContact CE2-SD 3.45Å; F218-M233 HydrophobicContact CG-SD 4.41Å; F218-M233 HydrophobicContact CZ-SD 4.36Å; S229-M233 WeakPolarHBondContact O-CB 3.21Å; S229-M233 VanDerWaalsContact O-CG 3.26Å; S229-M233 WeakPolarHBondContact O-CG 3.4Å; S229-M233 PolarHBondContact O-N 2.89Å; T230-M233 PolarHBondContact O-N 3.49Å; M233-L236 PolarHBondContact O-N 2.64Å; M233-R237 PolarHBondContact O-N 3.49Å
234	Q	97.9	Very high	95.9	Very high	64 Å²	64	66.3 Å²	66.3	30%	0.299	34%	0.335	S	S	.	.	H	α-helix	trans	-60.4	-46	173.1	177.3	55	45.9	0	0	111.4	T230 L231 I232 L236 R237 D238	T230-Q234 WeakPolarHBondContact O-CB 3.36Å; T230-Q234 PolarHBondContact O-N 3.35Å; L231-Q234 WeakPolarHBondContact O-CB 3.36Å; L231-Q234 PolarHBondContact O-N 3.28Å; I232-Q234 VanDerWaalsContact C-N 3.27Å; I232-Q234 PolarHBondContact O-N 2.88Å; Q234-L236 PolarHBondContact O-N 3.37Å; Q234-R237 WeakPolarHBondContact O-CB 3.37Å; Q234-R237 PolarHBondContact O-N 3.23Å; Q234-R237 VanDerWaalsContact OE1-NH1 3.14Å; Q234-D238 PolarHBondContact NE2-OD1 2.92Å; Q234-D238 PolarHBondContact NE2-OD2 3.01Å; Q234-D238 PolarHBondContact O-N 3.01Å
235	L	98.3	Very high	95.9	Very high	73 Å²	73	62.4 Å²	62.4	38%	0.382	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-39.9	176.4	-66.8	171.2	0	0	0	112.7	L187 L231 I232 R237 D238 N239	L187-L235 HydrophobicContact CD1-CB 4.11Å; L187-L235 HydrophobicContact CD2-CB 3.89Å; L187-L235 HydrophobicContact CD2-CD1 3.9Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 3.46Å; L231-L235 VanDerWaalsContact O-N 3.13Å; I232-L235 WeakPolarHBondContact O-CB 3.38Å; I232-L235 PolarHBondContact O-N 3.49Å; I232-L235 VanDerWaalsContact O-N 3.15Å; L235-R237 VanDerWaalsContact C-N 3.35Å; L235-D238 PolarHBondContact O-N 2.92Å; L235-N239 PolarHBondContact O-N 3.43Å
236	L	98.2	Very high	95.5	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.1	-46.2	173.9	-78	168	0	0	0	111.4	L183 L187 A207 A210 F211 I232 M233 Q234 D238 N239 L240	L183-L236 HydrophobicContact CD2-CD1 4.06Å; L187-L236 HydrophobicContact CB-CD2 3.92Å; L187-L236 HydrophobicContact CB-CG 4.24Å; L187-L236 HydrophobicContact CD1-CD2 3.95Å; L187-L236 HydrophobicContact CD1-CG 4.18Å; A207-L236 HydrophobicContact CB-CD2 3.9Å; A210-L236 HydrophobicContact CB-CD1 4.32Å; F211-L236 HydrophobicContact CD2-CB 4.41Å; I232-L236 PolarHBondContact O-N 3.13Å; M233-L236 PolarHBondContact O-N 2.64Å; Q234-L236 PolarHBondContact O-N 3.37Å; L236-D238 VanDerWaalsContact C-N 3.34Å; L236-D238 PolarHBondContact O-N 3.44Å; L236-N239 PolarHBondContact O-N 3.1Å; L236-L240 WeakPolarHBondContact O-CG 3.48Å; L236-L240 PolarHBondContact O-N 2.86Å
237	R	97.5	Very high	95.1	Very high	115 Å²	115	59.1 Å²	59.1	43%	0.434	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-41.1	177.6	-168.9	-172.1	74	-161.1	3.7	112.3	F211 M233 Q234 L235 L240 T241	F211-R237 HydrophobicContact CD2-CB 4.43Å; F211-R237 HydrophobicContact CE2-CB 3.88Å; F211-R237 HydrophobicContact CE2-CG 4.45Å; F211-R237 HydrophobicContact CZ-CB 4.18Å; F211-R237 HydrophobicContact CZ-CG 4.24Å; M233-R237 PolarHBondContact O-N 3.49Å; Q234-R237 WeakPolarHBondContact O-CB 3.37Å; Q234-R237 PolarHBondContact O-N 3.23Å; Q234-R237 VanDerWaalsContact OE1-NH1 3.14Å; L235-R237 VanDerWaalsContact C-N 3.35Å; R237-L240 PolarHBondContact O-N 2.88Å; R237-T241 PolarHBondContact O-N 3.15Å; R237-T241 PolarHBondContact O-OG1 3.49Å
238	D	97.7	Very high	94.3	Very high	71 Å²	71	57 Å²	57	38%	0.38	30%	0.3	S	S	.	.	H	α-helix	trans	-66.6	-42.2	-179.5	-65.9	-16.2	0	0	0	110.9	Q234 L235 L236 T241 L242	Q234-D238 PolarHBondContact NE2-OD1 2.92Å; Q234-D238 PolarHBondContact NE2-OD2 3.01Å; Q234-D238 PolarHBondContact O-N 3.01Å; L235-D238 PolarHBondContact O-N 2.92Å; L236-D238 VanDerWaalsContact C-N 3.34Å; L236-D238 PolarHBondContact O-N 3.44Å; D238-T241 PolarHBondContact O-N 2.95Å; D238-L242 PolarHBondContact O-N 3.25Å
239	N	96.4	Very high	93.2	Very high	35 Å²	35	54.3 Å²	54.3	19%	0.187	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-46	172.3	-78.4	-1.1	0	0	0	112.4	L187 L235 L236 T241 L242 W243	L187-N239 VanDerWaalsContact CD1-ND2 3.28Å; L187-N239 WeakPolarHBondContact CD1-ND2 3.49Å; L235-N239 PolarHBondContact O-N 3.43Å; L236-N239 PolarHBondContact O-N 3.1Å; N239-T241 VanDerWaalsContact C-N 3.26Å; N239-T241 PolarHBondContact O-N 3.45Å; N239-L242 PolarHBondContact O-N 2.73Å; N239-W243 HydrophobicContact CB-CD2 4.2Å; N239-W243 HydrophobicContact CB-CE3 4.08Å; N239-W243 HydrophobicContact CB-CH2 3.73Å; N239-W243 HydrophobicContact CB-CZ2 3.84Å; N239-W243 HydrophobicContact CB-CZ3 3.84Å; N239-W243 WeakPolarHBondContact O-CB 3.33Å; N239-W243 VanDerWaalsContact O-CD2 3.32Å; N239-W243 PolarHBondContact O-N 3.15Å
240	L	96.4	Very high	91.6	Very high	25 Å²	25	59.1 Å²	59.1	13%	0.131	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-41.1	176.8	-77.2	168.5	0	0	0	112	C204 A207 K208 L236 R237 T244	C204-L240 HydrophobicContact CB-CD2 4.2Å; C204-L240 WeakPolarHBondContact O-CD2 3.29Å; A207-L240 HydrophobicContact CB-CD1 4.34Å; A207-L240 HydrophobicContact CB-CD2 3.78Å; A207-L240 HydrophobicContact CB-CG 3.88Å; K208-L240 HydrophobicContact CB-CD1 4.19Å; K208-L240 HydrophobicContact CB-CD2 4.03Å; L236-L240 WeakPolarHBondContact O-CG 3.48Å; L236-L240 PolarHBondContact O-N 2.86Å; R237-L240 PolarHBondContact O-N 2.88Å; L240-T244 WeakPolarHBondContact O-CB 3.47Å; L240-T244 PolarHBondContact O-N 3.47Å; L240-T244 PolarHBondContact O-OG1 3.37Å
241	T	95.5	Very high	89.8	Confident	85 Å²	85	61.5 Å²	61.5	52%	0.521	33%	0.326	S	S	.	.	H	α-helix	trans	-64.6	-45.8	178.8	-56.5	0	0	0	0	111.1	R237 D238 N239 S245	R237-T241 PolarHBondContact O-N 3.15Å; R237-T241 PolarHBondContact O-OG1 3.49Å; D238-T241 PolarHBondContact O-N 2.95Å; N239-T241 VanDerWaalsContact C-N 3.26Å; N239-T241 PolarHBondContact O-N 3.45Å; T241-S245 PolarHBondContact O-N 3.12Å; T241-S245 PolarHBondContact O-OG 3.2Å
242	L	94.4	Very high	87.8	Confident	100 Å²	100	61.1 Å²	61.1	52%	0.524	33%	0.328	S	S	.	.	H	α-helix	trans	-60.9	-57.4	177.7	-178.3	65.5	0	0	0	111	D238 N239 T244 S245 D246	D238-L242 PolarHBondContact O-N 3.25Å; N239-L242 PolarHBondContact O-N 2.73Å; L242-T244 PolarHBondContact O-N 3.08Å; L242-S245 WeakPolarHBondContact O-CB 3.24Å; L242-S245 PolarHBondContact O-N 2.79Å; L242-S245 VanDerWaalsContact O-N 3.1Å; L242-D246 PolarHBondContact O-N 2.72Å; L242-D246 VanDerWaalsContact O-N 3.15Å
243	W	95.6	Very high	85.5	Confident	7 Å²	7	65.5 Å²	65.5	3%	0.027	35%	0.348	C	S	.	.	H	α-helix	trans	-68.4	-32.5	-173	-57.9	-25.7	0	0	0	113.6	V191 Y194 A203 A207 N239 S245 D246 L247	V191-W243 HydrophobicContact CG2-CH2 3.92Å; V191-W243 HydrophobicContact CG2-CZ2 3.92Å; Y194-W243 AromaticContact CD1-NE1 3.58Å; Y194-W243 HydrophobicContact CD2-CB 4.03Å; Y194-W243 AromaticContact CD2-CD1 3.46Å; Y194-W243 VanDerWaalsContact CD2-CD1 3.46Å; Y194-W243 AromaticContact CD2-CD2 3.68Å; Y194-W243 HydrophobicContact CD2-CD2 3.68Å; Y194-W243 AromaticContact CD2-CE2 3.78Å; Y194-W243 HydrophobicContact CD2-CE3 4.44Å; Y194-W243 AromaticContact CD2-CG 3.46Å; Y194-W243 HydrophobicContact CD2-CG 3.46Å; Y194-W243 VanDerWaalsContact CD2-CG 3.46Å; Y194-W243 AromaticContact CD2-NE1 3.63Å; Y194-W243 AromaticContact CE1-CD1 3.77Å; Y194-W243 AromaticContact CE1-NE1 3.63Å; Y194-W243 HydrophobicContact CE2-CB 3.7Å; Y194-W243 AromaticContact CE2-CD1 3.11Å; Y194-W243 HydrophobicContact CE2-CD2 4.1Å; Y194-W243 AromaticContact CE2-CG 3.37Å; Y194-W243 HydrophobicContact CE2-CG 3.37Å; Y194-W243 AromaticContact CE2-NE1 3.67Å; Y194-W243 AromaticContact CG-CD1 3.92Å; Y194-W243 HydrophobicContact CG-CD2 4.06Å; Y194-W243 AromaticContact CG-CE2 3.68Å; Y194-W243 HydrophobicContact CG-CG 4.19Å; Y194-W243 HydrophobicContact CG-CZ2 4.14Å; Y194-W243 AromaticContact CG-NE1 3.58Å; Y194-W243 AromaticContact CZ-CD1 3.28Å; Y194-W243 AromaticContact CZ-NE1 3.67Å; A203-W243 HydrophobicContact CB-CE3 4.2Å; A203-W243 HydrophobicContact CB-CZ3 4.05Å; A207-W243 HydrophobicContact CB-CZ3 4.25Å; N239-W243 HydrophobicContact CB-CD2 4.2Å; N239-W243 HydrophobicContact CB-CE3 4.08Å; N239-W243 HydrophobicContact CB-CH2 3.73Å; N239-W243 HydrophobicContact CB-CZ2 3.84Å; N239-W243 HydrophobicContact CB-CZ3 3.84Å; N239-W243 WeakPolarHBondContact O-CB 3.33Å; N239-W243 VanDerWaalsContact O-CD2 3.32Å; N239-W243 PolarHBondContact O-N 3.15Å; W243-S245 VanDerWaalsContact C-N 3.3Å; W243-D246 PolarHBondContact O-N 3.04Å; W243-L247 WeakPolarHBondContact O-CG 3.5Å; W243-L247 PolarHBondContact O-N 2.81Å; W243-L247 VanDerWaalsContact O-N 3.11Å
244	T	91.3	Very high	83.2	Confident	58 Å²	58	71.9 Å²	71.9	36%	0.356	38%	0.377	S	S	.	.	H	α-helix	trans	-69.3	-32.2	174.9	-55.8	0	0	0	0	111.5	L240 L242 Q248	L240-T244 WeakPolarHBondContact O-CB 3.47Å; L240-T244 PolarHBondContact O-N 3.47Å; L240-T244 PolarHBondContact O-OG1 3.37Å; L242-T244 PolarHBondContact O-N 3.08Å; T244-Q248 WeakPolarHBondContact O-CG 3.39Å; T244-Q248 PolarHBondContact O-N 3.22Å
245	S	88.8	Confident	80.7	Confident	68 Å²	68	75.6 Å²	75.6	48%	0.476	39%	0.393	S	S	.	.	H	α-helix	trans	-67.7	-42.2	174.8	-56.5	0	0	0	0	111.1	T241 L242 W243 L247 Q248 G249	T241-S245 PolarHBondContact O-N 3.12Å; T241-S245 PolarHBondContact O-OG 3.2Å; L242-S245 WeakPolarHBondContact O-CB 3.24Å; L242-S245 PolarHBondContact O-N 2.79Å; L242-S245 VanDerWaalsContact O-N 3.1Å; W243-S245 VanDerWaalsContact C-N 3.3Å; S245-L247 PolarHBondContact O-N 3.33Å; S245-Q248 PolarHBondContact O-N 3.21Å; S245-G249 PolarHBondContact O-N 3.2Å; S245-G249 VanDerWaalsContact O-N 3.07Å
246	D	84.9	Confident	78.2	Confident	60 Å²	60	75.9 Å²	75.9	32%	0.321	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-45.2	176.7	-59.1	-26.9	0	0	0	111.5	Y194 L242 W243 Q248 G249 D250	Y194-D246 PolarHBondContact OH-OD2 2.97Å; L242-D246 PolarHBondContact O-N 2.72Å; L242-D246 VanDerWaalsContact O-N 3.15Å; W243-D246 PolarHBondContact O-N 3.04Å; D246-Q248 VanDerWaalsContact C-N 3.26Å; D246-Q248 PolarHBondContact O-N 3.38Å; D246-G249 PolarHBondContact O-N 3.09Å; D246-G249 VanDerWaalsContact O-N 3.12Å; D246-D250 PolarHBondContact O-N 2.63Å
247	L	85.1	Confident	75.7	Confident	27 Å²	27	83 Å²	83	14%	0.141	43%	0.432	C	S	.	.	H	α-helix	trans	-61.8	-29.9	177.4	-74.7	172.9	0	0	0	113.6	P200 W243 S245 Q251	P200-L247 HydrophobicContact CB-CD1 4.4Å; P200-L247 HydrophobicContact CB-CD2 3.9Å; P200-L247 HydrophobicContact CB-CG 4.3Å; P200-L247 HydrophobicContact CG-CD2 3.77Å; W243-L247 WeakPolarHBondContact O-CG 3.5Å; W243-L247 PolarHBondContact O-N 2.81Å; W243-L247 VanDerWaalsContact O-N 3.11Å; S245-L247 PolarHBondContact O-N 3.33Å; L247-Q251 WeakPolarHBondContact O-CG 3.47Å; L247-Q251 PolarHBondContact O-N 3.37Å
248	Q	79.4	Confident	73.1	Confident	123 Å²	123	83.7 Å²	83.7	58%	0.575	44%	0.444	S	S	*	.	H	α-helix	trans	-78.2	-34.6	175.5	-71	175	20.7	0	0	112	T244 S245 D246 T252	T244-Q248 WeakPolarHBondContact O-CG 3.39Å; T244-Q248 PolarHBondContact O-N 3.22Å; S245-Q248 PolarHBondContact O-N 3.21Å; D246-Q248 VanDerWaalsContact C-N 3.26Å; D246-Q248 PolarHBondContact O-N 3.38Å; Q248-T252 PolarHBondContact O-N 3.41Å; Q248-T252 PolarHBondContact O-OG1 3.28Å
249	G	73.1	Confident	70.8	Confident	30 Å²	30	88.3 Å²	88.3	31%	0.309	46%	0.463	S	S	.	.	H	α-helix	trans	-62	-46.8	173.6	0	0	0	0	0	112.2	S245 D246 Q251 T252 E253	S245-G249 PolarHBondContact O-N 3.2Å; S245-G249 VanDerWaalsContact O-N 3.07Å; D246-G249 PolarHBondContact O-N 3.09Å; D246-G249 VanDerWaalsContact O-N 3.12Å; G249-Q251 VanDerWaalsContact C-N 3.34Å; G249-Q251 PolarHBondContact O-N 2.66Å; G249-T252 WeakPolarHBondContact CA-OG1 3.45Å; G249-T252 PolarHBondContact O-N 2.85Å; G249-T252 VanDerWaalsContact O-N 3.13Å; G249-T252 PolarHBondContact O-OG1 2.88Å; G249-E253 PolarHBondContact O-N 2.93Å
250	D	63.3	Low	68.3	Low	100 Å²	100	89.4 Å²	89.4	54%	0.535	48%	0.483	S	S	.	.	H	α-helix	trans	-63	-39	178.8	-73.9	-14.6	0	0	0	112.2	D246 T252 E253 E254	D246-D250 PolarHBondContact O-N 2.63Å; D250-T252 VanDerWaalsContact C-N 3.3Å; D250-T252 PolarHBondContact O-N 3.01Å; D250-E253 PolarHBondContact O-N 3.28Å; D250-E254 PolarHBondContact O-N 3.41Å
251	Q	58.5	Low	65.7	Low	107 Å²	107	95.2 Å²	95.2	50%	0.5	51%	0.513	S	S	.	.	H	α-helix	trans	-67	-28.6	176.1	-73.3	179	26.9	0	0	113.5	L247 G249 K255	L247-Q251 WeakPolarHBondContact O-CG 3.47Å; L247-Q251 PolarHBondContact O-N 3.37Å; G249-Q251 VanDerWaalsContact C-N 3.34Å; G249-Q251 PolarHBondContact O-N 2.66Å; Q251-K255 WeakPolarHBondContact O-CG 2.95Å; Q251-K255 PolarHBondContact O-N 2.62Å
252	T	55.3	Low	63.1	Low	95 Å²	95	103.6 Å²	103.6	58%	0.583	55%	0.546	S	S	*	.	H	α-helix	trans	-78.8	-35.6	175.8	24.8	0	0	0	0	111.5	Q248 G249 D250 S256	Q248-T252 PolarHBondContact O-N 3.41Å; Q248-T252 PolarHBondContact O-OG1 3.28Å; G249-T252 WeakPolarHBondContact CA-OG1 3.45Å; G249-T252 PolarHBondContact O-N 2.85Å; G249-T252 VanDerWaalsContact O-N 3.13Å; G249-T252 PolarHBondContact O-OG1 2.88Å; D250-T252 VanDerWaalsContact C-N 3.3Å; D250-T252 PolarHBondContact O-N 3.01Å; T252-S256 PolarHBondContact O-N 3.29Å; T252-S256 VanDerWaalsContact O-N 3.14Å; T252-S256 PolarHBondContact O-OG 3.41Å
253	E	50.6	Low	61.5	Low	119 Å²	119	103.8 Å²	103.8	56%	0.556	55%	0.547	S	S	*	.	H	α-helix	trans	-67.9	-41.3	172.7	-72.3	-162.5	177.9	0	0	112.8	G249 D250 S256 K257	G249-E253 PolarHBondContact O-N 2.93Å; D250-E253 PolarHBondContact O-N 3.28Å; E253-S256 PolarHBondContact O-N 2.76Å; E253-S256 PolarHBondContact O-OG 3.01Å; E253-K257 PolarHBondContact O-N 3.45Å
254	E	48.5	Very low	59.7	Low	148 Å²	148	108.8 Å²	108.8	69%	0.692	58%	0.575	S	S	*	*	H	α-helix	trans	-62.4	-43.7	176.1	-79.2	-171.5	160.9	0	0	112.2	D250 S256 K257 D258	D250-E254 PolarHBondContact O-N 3.41Å; E254-S256 VanDerWaalsContact C-N 3.34Å; E254-S256 PolarHBondContact O-N 2.78Å; E254-K257 PolarHBondContact O-N 3.4Å; E254-D258 PolarHBondContact O-N 2.86Å; E254-D258 VanDerWaalsContact O-N 3.15Å
255	K	45.2	Very low	57.9	Low	142 Å²	142	111.7 Å²	111.7	62%	0.617	59%	0.587	S	S	*	*	H	α-helix	trans	-63.5	-37.8	175.9	-76.7	-177.7	178.5	-179.3	0	113	Q251 K257 D258 E259	Q251-K255 WeakPolarHBondContact O-CG 2.95Å; Q251-K255 PolarHBondContact O-N 2.62Å; K255-K257 VanDerWaalsContact C-N 3.25Å; K255-K257 PolarHBondContact O-N 2.89Å; K255-D258 PolarHBondContact O-N 3.12Å; K255-E259 PolarHBondContact O-N 3.28Å
256	S	46.5	Very low	56.1	Low	79 Å²	79	114.2 Å²	114.2	55%	0.552	59%	0.594	S	S	*	*	H	α-helix	trans	-67.8	-24.4	177.4	71.7	0	0	0	0	113.6	T252 E253 E254	T252-S256 PolarHBondContact O-N 3.29Å; T252-S256 VanDerWaalsContact O-N 3.14Å; T252-S256 PolarHBondContact O-OG 3.41Å; E253-S256 PolarHBondContact O-N 2.76Å; E253-S256 PolarHBondContact O-OG 3.01Å; E254-S256 VanDerWaalsContact C-N 3.34Å; E254-S256 PolarHBondContact O-N 2.78Å
257	K	44.7	Very low	54.3	Low	149 Å²	149	117.6 Å²	117.6	65%	0.648	61%	0.611	S	S	*	*	H	α-helix	trans	-80.5	-31.8	173.3	-74.7	176.3	-178.2	161.3	0	112.4	E253 E254 K255	E253-K257 PolarHBondContact O-N 3.45Å; E254-K257 PolarHBondContact O-N 3.4Å; K255-K257 VanDerWaalsContact C-N 3.25Å; K255-K257 PolarHBondContact O-N 2.89Å
258	D	44.6	Very low	52.3	Low	130 Å²	130	123.7 Å²	123.7	70%	0.695	64%	0.642	S	S	*	*	H	α-helix	trans	-78.1	-33.4	179.5	-139.8	14.9	0	0	0	111.9	E254 K255 G260	E254-D258 PolarHBondContact O-N 2.86Å; E254-D258 VanDerWaalsContact O-N 3.15Å; K255-D258 PolarHBondContact O-N 3.12Å; D258-G260 PolarHBondContact O-N 2.96Å
259	E	48.2	Very low	50.3	Low	168 Å²	168	123.7 Å²	123.7	79%	0.785	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-2.3	174.3	-70.4	-177	-178.3	0	0	114	K255	K255-E259 PolarHBondContact O-N 3.28Å
260	G	44.2	Very low	48.6	Very low	58 Å²	58	130.9 Å²	130.9	60%	0.598	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	6.7	178.6	0	0	0	0	0	115.5	D258	D258-G260 PolarHBondContact O-N 2.96Å
261	L	42.8	Very low	47.4	Very low	147 Å²	147	133.5 Å²	133.5	77%	0.77	68%	0.684	S	S	*	*			trans	-117	17.3	-173.3	-81	169.9	0	0	0	115.9
262	E	39.4	Very low	46.4	Very low	260 Å²	260	135.9 Å²	135.9	100%	1.215	70%	0.701	S	S	*	*			trans	-109.7	0	164.1	-71.2	-170.4	160.5	0	0	112

Retrieved 262 of 262 residues in 581.2 ms (Link to these results)

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