A0A077ZKJ2_TRITR Loading...

Integrase 1 and Phage int SAM 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKJ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 294 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	68.1	Low	92.8	Very high	155 Å²	155	52.5 Å²	52.5	76%	0.764	28%	0.278	S	S	*	.				0	137.7	0	-96.5	177.4	-77.3	0	0	108.2	K9	M1-K9 HydrophobicContact SD-CD 4.34Å
2	S	86	Confident	93.1	Very high	22 Å²	22	48.2 Å²	48.2	15%	0.154	26%	0.255	C	S	.	.			trans	-64	160.3	170.8	41.4	0	0	0	0	111.1	L4 S5 S6	S2-L4 PolarHBondContact O-N 3.08Å; S2-S5 PolarHBondContact O-N 3.21Å; S2-S5 VanDerWaalsContact O-N 3.14Å; S2-S5 VanDerWaalsContact OG-CB 3.28Å; S2-S5 WeakPolarHBondContact OG-CB 3.38Å; S2-S5 PolarHBondContact OG-N 3.39Å; S2-S6 PolarHBondContact O-N 3.11Å; S2-S6 PolarHBondContact O-OG 3.05Å
3	K	93	Very high	93.4	Very high	151 Å²	151	53.9 Å²	53.9	66%	0.657	28%	0.276	S	S	*	.	H	α-helix	trans	-53.4	-44	170	-69.7	-177.1	178.2	177.9	0	111.2	S5 S6 E7 Q44	K3-S5 PolarHBondContact O-N 3.02Å; K3-S6 PolarHBondContact O-N 3.48Å; K3-E7 WeakPolarHBondContact O-CB 3.49Å; K3-E7 PolarHBondContact O-N 3.34Å; K3-Q44 CarbonylContact C-O 3.5Å
4	L	95.4	Very high	93.6	Very high	3 Å²	3	61 Å²	61	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-56.9	-51.2	174.7	-177.1	74.4	0	0	0	112	S2 S6 E7 M8 L36 I43 Q44 V46 I49	S2-L4 PolarHBondContact O-N 3.08Å; L4-S6 VanDerWaalsContact C-N 3.3Å; L4-S6 PolarHBondContact O-N 2.66Å; L4-E7 PolarHBondContact O-N 3.4Å; L4-M8 HydrophobicContact CD1-CG 4.28Å; L4-M8 HydrophobicContact CD1-SD 4.31Å; L4-M8 HydrophobicContact CD2-SD 4.24Å; L4-M8 HydrophobicContact CG-CG 4.23Å; L4-M8 HydrophobicContact CG-SD 3.98Å; L4-M8 WeakPolarHBondContact O-CB 3.47Å; L4-M8 WeakPolarHBondContact O-CG 3.48Å; L4-M8 PolarHBondContact O-N 3.31Å; L4-L36 HydrophobicContact CD2-CD1 4.06Å; L4-I43 HydrophobicContact CD1-CD1 4.2Å; L4-I43 HydrophobicContact CD2-CD1 3.89Å; L4-I43 HydrophobicContact CD2-CG1 3.92Å; L4-Q44 WeakPolarHBondContact CA-O 3.36Å; L4-Q44 PolarHBondContact N-O 3.14Å; L4-Q44 VanDerWaalsContact N-O 3.1Å; L4-V46 HydrophobicContact CD1-CG2 3.94Å; L4-I49 HydrophobicContact CD1-CD1 4.21Å; L4-I49 HydrophobicContact CD1-CG1 4.41Å
5	S	95	Very high	93.7	Very high	8 Å²	8	58.9 Å²	58.9	6%	0.056	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-39.8	-177.6	-179.5	0	0	0	0	111.8	S2 K3 K9	S2-S5 PolarHBondContact O-N 3.21Å; S2-S5 VanDerWaalsContact O-N 3.14Å; S2-S5 VanDerWaalsContact OG-CB 3.28Å; S2-S5 WeakPolarHBondContact OG-CB 3.38Å; S2-S5 PolarHBondContact OG-N 3.39Å; K3-S5 PolarHBondContact O-N 3.02Å; S5-K9 VanDerWaalsContact O-CB 3.29Å; S5-K9 WeakPolarHBondContact O-CB 3.47Å; S5-K9 PolarHBondContact O-N 2.67Å
6	S	96	Very high	93.6	Very high	59 Å²	59	56.9 Å²	56.9	41%	0.413	30%	0.299	S	S	.	.	H	α-helix	trans	-64.8	-43.8	174.9	-64.5	0	0	0	0	112.3	S2 K3 L4 K9 A10	S2-S6 PolarHBondContact O-N 3.11Å; S2-S6 PolarHBondContact O-OG 3.05Å; K3-S6 PolarHBondContact O-N 3.48Å; L4-S6 VanDerWaalsContact C-N 3.3Å; L4-S6 PolarHBondContact O-N 2.66Å; S6-K9 PolarHBondContact O-N 3.27Å; S6-A10 PolarHBondContact O-N 3.41Å
7	E	97.5	Very high	93.4	Very high	42 Å²	42	57.4 Å²	57.4	20%	0.196	32%	0.32	C	S	.	.	H	α-helix	trans	-64.4	-48	177.1	-176.4	174.9	-143.6	0	0	111.6	K3 L4 K9 A10 L11 R45 V46	K3-E7 WeakPolarHBondContact O-CB 3.49Å; K3-E7 PolarHBondContact O-N 3.34Å; L4-E7 PolarHBondContact O-N 3.4Å; E7-K9 VanDerWaalsContact C-N 3.29Å; E7-K9 PolarHBondContact O-N 2.83Å; E7-A10 WeakPolarHBondContact O-CB 3.33Å; E7-A10 PolarHBondContact O-N 2.94Å; E7-A10 VanDerWaalsContact O-N 3.1Å; E7-L11 HydrophobicContact CG-CD1 3.98Å; E7-L11 WeakPolarHBondContact O-CG 3.26Å; E7-L11 PolarHBondContact O-N 3.07Å; E7-R45 IonicContact OE1-CZ 3.08Å; E7-R45 IonicContact OE1-NE 2.63Å; E7-R45 IonicContact OE1-NH1 2.67Å; E7-R45 PolarHBondContact OE1-NH1 2.79Å; E7-R45 IonicContact OE1-NH2 2.96Å; E7-R45 PolarHBondContact OE1-NH2 3.46Å; E7-R45 VanDerWaalsContact OE2-CA 3.27Å; E7-R45 WeakPolarHBondContact OE2-CA 3.33Å; E7-R45 IonicContact OE2-CZ 3.45Å; E7-R45 IonicContact OE2-NE 2.66Å; E7-R45 IonicContact OE2-NH1 3.92Å; E7-V46 HydrophobicContact CB-CG2 4.48Å; E7-V46 HydrophobicContact CG-CG2 4Å; E7-V46 PolarHBondContact OE2-N 3.22Å
8	M	97.4	Very high	93.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-37.7	177.1	-68.4	-174.5	85.4	0	0	111.9	L4 L11 A12 T29 F32 S33 V46 I49 L78 V81	L4-M8 HydrophobicContact CD1-CG 4.28Å; L4-M8 HydrophobicContact CD1-SD 4.31Å; L4-M8 HydrophobicContact CD2-SD 4.24Å; L4-M8 HydrophobicContact CG-CG 4.23Å; L4-M8 HydrophobicContact CG-SD 3.98Å; L4-M8 WeakPolarHBondContact O-CB 3.47Å; L4-M8 WeakPolarHBondContact O-CG 3.48Å; L4-M8 PolarHBondContact O-N 3.31Å; M8-L11 PolarHBondContact O-N 3.48Å; M8-A12 VanDerWaalsContact O-CB 3.23Å; M8-A12 WeakPolarHBondContact O-CB 3.34Å; M8-A12 PolarHBondContact O-N 2.9Å; M8-T29 HydrophobicContact CB-CG2 4.3Å; M8-T29 HydrophobicContact CE-CG2 3.61Å; M8-F32 HydrophobicContact CE-CD1 3.68Å; M8-F32 HydrophobicContact CE-CE1 4.21Å; M8-F32 HydrophobicContact SD-CD1 3.92Å; M8-F32 HydrophobicContact SD-CE1 4.44Å; M8-S33 PolarHBondContact SD-OG 3.17Å; M8-V46 HydrophobicContact CG-CG2 3.51Å; M8-I49 HydrophobicContact CE-CD1 4.21Å; M8-I49 HydrophobicContact SD-CD1 4.31Å; M8-L78 HydrophobicContact CE-CD2 3.94Å; M8-V81 HydrophobicContact CB-CG1 4.32Å; M8-V81 HydrophobicContact CE-CG1 4.13Å; M8-V81 HydrophobicContact CG-CG1 4.32Å
9	K	97.1	Very high	92.7	Very high	71 Å²	71	64.4 Å²	64.4	31%	0.309	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-42.3	173.7	-179.7	178.9	-178.5	-179.2	0	111.6	M1 S5 S6 E7 A12 K13 I26	M1-K9 HydrophobicContact SD-CD 4.34Å; S5-K9 VanDerWaalsContact O-CB 3.29Å; S5-K9 WeakPolarHBondContact O-CB 3.47Å; S5-K9 PolarHBondContact O-N 2.67Å; S6-K9 PolarHBondContact O-N 3.27Å; E7-K9 VanDerWaalsContact C-N 3.29Å; E7-K9 PolarHBondContact O-N 2.83Å; K9-A12 PolarHBondContact O-N 3Å; K9-K13 WeakPolarHBondContact O-CG 3.37Å; K9-K13 PolarHBondContact O-N 3.28Å; K9-K13 VanDerWaalsContact O-N 3.17Å; K9-I26 HydrophobicContact CD-CG2 4.37Å; K9-I26 HydrophobicContact CG-CD1 4.21Å; K9-I26 HydrophobicContact CG-CG1 4.14Å; K9-I26 HydrophobicContact CG-CG2 4.08Å
10	A	97.4	Very high	92.5	Very high	47 Å²	47	67.7 Å²	67.7	39%	0.388	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-44.5	177.1	0	0	0	0	0	111.5	S6 E7 K13 K14	S6-A10 PolarHBondContact O-N 3.41Å; E7-A10 WeakPolarHBondContact O-CB 3.33Å; E7-A10 PolarHBondContact O-N 2.94Å; E7-A10 VanDerWaalsContact O-N 3.1Å; A10-K13 PolarHBondContact O-N 3.02Å; A10-K14 WeakPolarHBondContact O-CG 3.49Å; A10-K14 PolarHBondContact O-N 2.88Å
11	L	97.6	Very high	92.5	Very high	20 Å²	20	67.3 Å²	67.3	11%	0.105	36%	0.364	C	S	.	.	H	α-helix	trans	-64.8	-39.1	175.8	-70.1	163.1	0	0	0	112.3	E7 M8 K13 K14 A15 V46 V81 Q84 A85	E7-L11 HydrophobicContact CG-CD1 3.98Å; E7-L11 WeakPolarHBondContact O-CG 3.26Å; E7-L11 PolarHBondContact O-N 3.07Å; M8-L11 PolarHBondContact O-N 3.48Å; L11-K13 VanDerWaalsContact C-N 3.27Å; L11-K13 PolarHBondContact O-N 3.47Å; L11-K14 PolarHBondContact O-N 3.25Å; L11-A15 WeakPolarHBondContact O-CB 3.18Å; L11-A15 PolarHBondContact O-N 3.48Å; L11-V46 HydrophobicContact CD1-CB 4.15Å; L11-V46 HydrophobicContact CD1-CG1 4.14Å; L11-V46 HydrophobicContact CD1-CG2 3.74Å; L11-V81 HydrophobicContact CB-CG1 3.85Å; L11-V81 HydrophobicContact CD1-CG1 4.11Å; L11-Q84 HydrophobicContact CB-CG 4.48Å; L11-Q84 HydrophobicContact CD2-CB 4.29Å; L11-Q84 HydrophobicContact CD2-CG 3.84Å; L11-A85 HydrophobicContact CD1-CB 3.79Å; L11-A85 HydrophobicContact CD2-CB 4.13Å
12	A	97	Very high	93.8	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-38.4	176.1	0	0	0	0	0	112	M8 K9 R25 I26 V81	M8-A12 VanDerWaalsContact O-CB 3.23Å; M8-A12 WeakPolarHBondContact O-CB 3.34Å; M8-A12 PolarHBondContact O-N 2.9Å; K9-A12 PolarHBondContact O-N 3Å; A12-R25 HydrophobicContact CB-CB 4.28Å; A12-R25 HydrophobicContact CB-CG 3.82Å; A12-R25 PolarHBondContact O-NH1 2.68Å; A12-I26 HydrophobicContact CB-CG1 3.9Å; A12-V81 HydrophobicContact CB-CG2 3.88Å
13	K	96.7	Very high	94.2	Very high	123 Å²	123	63 Å²	63	54%	0.535	34%	0.343	S	S	.	.	H	α-helix	trans	-68.2	-47.4	172.3	-68.9	179	176.3	-170.6	0	111.9	K9 A10 L11 A15 G16 V22 I26	K9-K13 WeakPolarHBondContact O-CG 3.37Å; K9-K13 PolarHBondContact O-N 3.28Å; K9-K13 VanDerWaalsContact O-N 3.17Å; A10-K13 PolarHBondContact O-N 3.02Å; L11-K13 VanDerWaalsContact C-N 3.27Å; L11-K13 PolarHBondContact O-N 3.47Å; K13-A15 VanDerWaalsContact C-N 3.3Å; K13-A15 PolarHBondContact O-N 3.44Å; K13-G16 PolarHBondContact O-N 2.88Å; K13-V22 HydrophobicContact CG-CG1 4.02Å; K13-I26 HydrophobicContact CG-CD1 4.1Å
14	K	96.7	Very high	94.3	Very high	153 Å²	153	58.8 Å²	58.8	67%	0.665	33%	0.328	S	S	*	.	H	α-helix	trans	-60.7	-36.2	-179.5	-75.2	-176.9	178.3	-174.7	0	113.2	A10 L11 G16 Q84	A10-K14 WeakPolarHBondContact O-CG 3.49Å; A10-K14 PolarHBondContact O-N 2.88Å; L11-K14 PolarHBondContact O-N 3.25Å; K14-G16 PolarHBondContact O-N 3.27Å; K14-Q84 HydrophobicContact CB-CG 4Å
15	A	95.1	Very high	94.4	Very high	30 Å²	30	59.8 Å²	59.8	25%	0.248	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-6.5	175.9	0	0	0	0	0	113.7	L11 K13 Q84	L11-A15 WeakPolarHBondContact O-CB 3.18Å; L11-A15 PolarHBondContact O-N 3.48Å; K13-A15 VanDerWaalsContact C-N 3.3Å; K13-A15 PolarHBondContact O-N 3.44Å; A15-Q84 HydrophobicContact CB-CB 4.14Å; A15-Q84 HydrophobicContact CB-CG 4.25Å
16	G	92	Very high	94.5	Very high	27 Å²	27	60.8 Å²	60.8	28%	0.278	34%	0.336	S	S	.	.			trans	67.2	-169.9	169.3	0	0	0	0	0	115.1	K13 K14 R25	K13-G16 PolarHBondContact O-N 2.88Å; K14-G16 PolarHBondContact O-N 3.27Å; G16-R25 PolarHBondContact O-NH1 3.22Å; G16-R25 PolarHBondContact O-NH2 3.03Å; G16-R25 VanDerWaalsContact O-NH2 3.1Å
17	G	90.4	Very high	94.6	Very high	64 Å²	64	62.8 Å²	62.8	66%	0.66	34%	0.338	S	S	*	.			trans	110.9	-178	-175.6	0	0	0	0	0	112.9
18	S	86.6	Confident	94.6	Very high	70 Å²	70	61.5 Å²	61.5	49%	0.49	33%	0.333	S	S	.	.			trans	-64.2	156.1	177.1	67.8	0	0	0	0	111.6	K20 T21 V22	S18-K20 PolarHBondContact O-N 3.43Å; S18-K20 VanDerWaalsContact O-N 3.13Å; S18-T21 WeakPolarHBondContact O-CA 3.41Å; S18-T21 WeakPolarHBondContact O-CB 3.5Å; S18-T21 PolarHBondContact O-N 3.42Å; S18-T21 PolarHBondContact OG-N 3.43Å; S18-T21 PolarHBondContact OG-OG1 2.8Å; S18-V22 PolarHBondContact O-N 3.02Å
19	F	86.8	Confident	94.6	Very high	178 Å²	178	61.6 Å²	61.6	78%	0.781	33%	0.334	S	S	*	.	H	α-helix	trans	-47.7	-45.8	177.5	-179.1	-94.6	0	0	0	112.3	T21 V22 N23	F19-T21 PolarHBondContact O-N 3.19Å; F19-V22 PolarHBondContact O-N 2.99Å; F19-N23 WeakPolarHBondContact O-CB 3.35Å; F19-N23 PolarHBondContact O-N 2.98Å
20	K	87.9	Confident	94.5	Very high	130 Å²	130	62.7 Å²	62.7	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-60.6	-45.5	176.4	-166.6	-164.9	-175.2	-46.2	0	112.2	S18 V22 N23 D24	S18-K20 PolarHBondContact O-N 3.43Å; S18-K20 VanDerWaalsContact O-N 3.13Å; K20-V22 VanDerWaalsContact C-N 3.34Å; K20-V22 PolarHBondContact O-N 3Å; K20-N23 PolarHBondContact O-N 3.35Å; K20-D24 IonicContact NZ-OD1 2.99Å; K20-D24 PolarHBondContact NZ-OD1 2.95Å; K20-D24 IonicContact NZ-OD2 2.66Å; K20-D24 PolarHBondContact NZ-OD2 2.91Å; K20-D24 WeakPolarHBondContact O-CB 3.29Å; K20-D24 PolarHBondContact O-N 3.45Å
21	T	93.3	Very high	94.5	Very high	60 Å²	60	65.5 Å²	65.5	37%	0.368	34%	0.339	S	S	.	.	H	α-helix	trans	-63.1	-43.1	-178.8	-52.9	0	0	0	0	111.1	S18 F19 R25	S18-T21 WeakPolarHBondContact O-CA 3.41Å; S18-T21 WeakPolarHBondContact O-CB 3.5Å; S18-T21 PolarHBondContact O-N 3.42Å; S18-T21 PolarHBondContact OG-N 3.43Å; S18-T21 PolarHBondContact OG-OG1 2.8Å; F19-T21 PolarHBondContact O-N 3.19Å; T21-R25 WeakPolarHBondContact O-CB 3.02Å; T21-R25 PolarHBondContact O-N 3.15Å
22	V	95.5	Very high	94.5	Very high	23 Å²	23	64.7 Å²	64.7	14%	0.139	33%	0.334	C	S	.	.	H	α-helix	trans	-63.1	-45.6	175.8	175.3	0	0	0	0	110.2	K13 S18 F19 K20 R25 I26	K13-V22 HydrophobicContact CG-CG1 4.02Å; S18-V22 PolarHBondContact O-N 3.02Å; F19-V22 PolarHBondContact O-N 2.99Å; K20-V22 VanDerWaalsContact C-N 3.34Å; K20-V22 PolarHBondContact O-N 3Å; V22-R25 PolarHBondContact O-N 3.49Å; V22-I26 HydrophobicContact CG1-CD1 3.92Å; V22-I26 HydrophobicContact CG1-CG1 4.5Å; V22-I26 VanDerWaalsContact O-CG1 3.3Å; V22-I26 WeakPolarHBondContact O-CG1 3.44Å; V22-I26 PolarHBondContact O-N 3.47Å
23	N	94.5	Very high	94.5	Very high	63 Å²	63	64.9 Å²	64.9	34%	0.337	34%	0.336	S	S	.	.	H	α-helix	trans	-62.1	-47.7	179	-168.2	64.7	0	0	0	112.4	F19 K20 R25 I26 H27	F19-N23 WeakPolarHBondContact O-CB 3.35Å; F19-N23 PolarHBondContact O-N 2.98Å; K20-N23 PolarHBondContact O-N 3.35Å; N23-R25 VanDerWaalsContact C-N 3.3Å; N23-R25 PolarHBondContact O-N 2.71Å; N23-I26 PolarHBondContact O-N 2.92Å; N23-I26 VanDerWaalsContact O-N 3.16Å; N23-H27 PolarHBondContact ND2-CD2 3.07Å; N23-H27 VanDerWaalsContact ND2-CD2 3.31Å; N23-H27 PolarHBondContact ND2-NE2 3.49Å; N23-H27 PolarHBondContact O-CD2 3.17Å; N23-H27 PolarHBondContact O-N 3.42Å
24	D	95.6	Very high	94.4	Very high	64 Å²	64	63.1 Å²	63.1	34%	0.342	33%	0.33	S	S	.	.	H	α-helix	trans	-57.4	-45.1	176.8	-67.7	-12	0	0	0	110.6	K20 I26 H27 I28	K20-D24 IonicContact NZ-OD1 2.99Å; K20-D24 PolarHBondContact NZ-OD1 2.95Å; K20-D24 IonicContact NZ-OD2 2.66Å; K20-D24 PolarHBondContact NZ-OD2 2.91Å; K20-D24 WeakPolarHBondContact O-CB 3.29Å; K20-D24 PolarHBondContact O-N 3.45Å; D24-I26 PolarHBondContact O-N 3.32Å; D24-H27 PolarHBondContact O-N 3.15Å; D24-I28 WeakPolarHBondContact O-CD1 3.3Å; D24-I28 VanDerWaalsContact O-CG1 3.29Å; D24-I28 WeakPolarHBondContact O-CG1 3.47Å; D24-I28 PolarHBondContact O-N 3.21Å
25	R	97.4	Very high	94.4	Very high	24 Å²	24	56.3 Å²	56.3	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-39.9	177.5	-167.2	-175.6	-56.8	146	-1.9	112.3	A12 G16 T21 V22 N23 I28 T29 A77 V81	A12-R25 HydrophobicContact CB-CB 4.28Å; A12-R25 HydrophobicContact CB-CG 3.82Å; A12-R25 PolarHBondContact O-NH1 2.68Å; G16-R25 PolarHBondContact O-NH1 3.22Å; G16-R25 PolarHBondContact O-NH2 3.03Å; G16-R25 VanDerWaalsContact O-NH2 3.1Å; T21-R25 WeakPolarHBondContact O-CB 3.02Å; T21-R25 PolarHBondContact O-N 3.15Å; V22-R25 PolarHBondContact O-N 3.49Å; N23-R25 VanDerWaalsContact C-N 3.3Å; N23-R25 PolarHBondContact O-N 2.71Å; R25-I28 PolarHBondContact O-N 2.85Å; R25-T29 WeakPolarHBondContact O-CB 3.47Å; R25-T29 VanDerWaalsContact O-CG2 3.3Å; R25-T29 WeakPolarHBondContact O-CG2 3.45Å; R25-T29 PolarHBondContact O-N 3.24Å; R25-T29 PolarHBondContact O-OG1 3.04Å; R25-A77 HydrophobicContact CB-CB 4.29Å; R25-A77 HydrophobicContact CG-CB 3.88Å; R25-V81 HydrophobicContact CG-CG2 3.88Å
26	I	97.1	Very high	94.5	Very high	28 Å²	28	54.9 Å²	54.9	14%	0.144	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-44	174.9	-70.2	168.3	0	0	0	110.8	K9 A12 K13 V22 N23 D24 T29 K30	K9-I26 HydrophobicContact CD-CG2 4.37Å; K9-I26 HydrophobicContact CG-CD1 4.21Å; K9-I26 HydrophobicContact CG-CG1 4.14Å; K9-I26 HydrophobicContact CG-CG2 4.08Å; A12-I26 HydrophobicContact CB-CG1 3.9Å; K13-I26 HydrophobicContact CG-CD1 4.1Å; V22-I26 HydrophobicContact CG1-CD1 3.92Å; V22-I26 HydrophobicContact CG1-CG1 4.5Å; V22-I26 VanDerWaalsContact O-CG1 3.3Å; V22-I26 WeakPolarHBondContact O-CG1 3.44Å; V22-I26 PolarHBondContact O-N 3.47Å; N23-I26 PolarHBondContact O-N 2.92Å; N23-I26 VanDerWaalsContact O-N 3.16Å; D24-I26 PolarHBondContact O-N 3.32Å; I26-T29 WeakPolarHBondContact CA-OG1 3.37Å; I26-T29 PolarHBondContact O-OG1 2.76Å; I26-T29 VanDerWaalsContact O-OG1 3.05Å; I26-K30 VanDerWaalsContact O-CB 3.3Å; I26-K30 WeakPolarHBondContact O-CB 3.47Å; I26-K30 PolarHBondContact O-N 2.99Å
27	H	96.9	Very high	94.6	Very high	101 Å²	101	60 Å²	60	47%	0.468	30%	0.299	S	S	.	.	H	α-helix	trans	-65.3	-41.4	177.7	-74.8	-67.7	0	0	0	112.6	N23 D24 K30 R31	N23-H27 PolarHBondContact ND2-CD2 3.07Å; N23-H27 VanDerWaalsContact ND2-CD2 3.31Å; N23-H27 PolarHBondContact ND2-NE2 3.49Å; N23-H27 PolarHBondContact O-CD2 3.17Å; N23-H27 PolarHBondContact O-N 3.42Å; D24-H27 PolarHBondContact O-N 3.15Å; H27-K30 PolarHBondContact O-N 3.06Å; H27-R31 PolarHBondContact O-N 3.39Å
28	I	97.6	Very high	94.8	Very high	16 Å²	16	60.4 Å²	60.4	8%	0.082	30%	0.297	C	S	.	.	H	α-helix	trans	-64.1	-48.3	178.2	-68.4	161.7	0	0	0	110.7	D24 R25 K30 R31 F32 D74 A77 L78	D24-I28 WeakPolarHBondContact O-CD1 3.3Å; D24-I28 VanDerWaalsContact O-CG1 3.29Å; D24-I28 WeakPolarHBondContact O-CG1 3.47Å; D24-I28 PolarHBondContact O-N 3.21Å; R25-I28 PolarHBondContact O-N 2.85Å; I28-K30 VanDerWaalsContact C-N 3.32Å; I28-K30 PolarHBondContact O-N 2.78Å; I28-R31 WeakPolarHBondContact O-CB 3.35Å; I28-R31 PolarHBondContact O-N 3.34Å; I28-F32 PolarHBondContact O-N 2.99Å; I28-D74 WeakPolarHBondContact CG1-OD1 3.48Å; I28-D74 HydrophobicContact CG2-CB 4.1Å; I28-A77 HydrophobicContact CB-CB 4.02Å; I28-A77 HydrophobicContact CD1-CB 3.49Å; I28-A77 VanDerWaalsContact CD1-CB 3.49Å; I28-A77 HydrophobicContact CG1-CB 4.35Å; I28-A77 HydrophobicContact CG2-CB 3.85Å; I28-L78 HydrophobicContact CG2-CD2 4.46Å; I28-L78 HydrophobicContact CG2-CG 4.27Å
29	T	96.9	Very high	95.2	Very high	2 Å²	2	61 Å²	61	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-66.6	-33.2	179.8	51.8	0	0	0	0	113.2	M8 R25 I26 S33 L78 V81	M8-T29 HydrophobicContact CB-CG2 4.3Å; M8-T29 HydrophobicContact CE-CG2 3.61Å; R25-T29 WeakPolarHBondContact O-CB 3.47Å; R25-T29 VanDerWaalsContact O-CG2 3.3Å; R25-T29 WeakPolarHBondContact O-CG2 3.45Å; R25-T29 PolarHBondContact O-N 3.24Å; R25-T29 PolarHBondContact O-OG1 3.04Å; I26-T29 WeakPolarHBondContact CA-OG1 3.37Å; I26-T29 PolarHBondContact O-OG1 2.76Å; I26-T29 VanDerWaalsContact O-OG1 3.05Å; T29-S33 PolarHBondContact O-N 3.39Å; T29-S33 PolarHBondContact O-OG 3.45Å; T29-L78 HydrophobicContact CG2-CD2 4.33Å; T29-V81 HydrophobicContact CG2-CB 4.24Å; T29-V81 HydrophobicContact CG2-CG1 4.42Å; T29-V81 HydrophobicContact CG2-CG2 3.61Å
30	K	96.4	Very high	95.5	Very high	94 Å²	94	59 Å²	59	41%	0.409	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-50.4	169.7	-179.8	-179.4	167.7	-175.7	0	110.8	I26 H27 I28 F32 S33 E34	I26-K30 VanDerWaalsContact O-CB 3.3Å; I26-K30 WeakPolarHBondContact O-CB 3.47Å; I26-K30 PolarHBondContact O-N 2.99Å; H27-K30 PolarHBondContact O-N 3.06Å; I28-K30 VanDerWaalsContact C-N 3.32Å; I28-K30 PolarHBondContact O-N 2.78Å; K30-F32 VanDerWaalsContact C-N 3.32Å; K30-F32 PolarHBondContact O-N 3.03Å; K30-S33 WeakPolarHBondContact O-CB 3.45Å; K30-S33 PolarHBondContact O-N 2.92Å; K30-S33 VanDerWaalsContact O-N 3.1Å; K30-E34 WeakPolarHBondContact CE-OE1 3.22Å; K30-E34 IonicContact NZ-OE1 3.72Å; K30-E34 WeakPolarHBondContact O-CG 3.41Å; K30-E34 PolarHBondContact O-N 2.84Å
31	R	96.9	Very high	95.8	Very high	106 Å²	106	55.1 Å²	55.1	40%	0.4	28%	0.276	S	S	.	.	H	α-helix	trans	-57.6	-44.9	178	-165.6	-170.8	-39	-115.7	-6.7	112	H27 I28 S33 E34 H35 Y57	H27-R31 PolarHBondContact O-N 3.39Å; I28-R31 WeakPolarHBondContact O-CB 3.35Å; I28-R31 PolarHBondContact O-N 3.34Å; R31-S33 VanDerWaalsContact C-N 3.34Å; R31-S33 PolarHBondContact O-N 2.93Å; R31-E34 PolarHBondContact O-N 3.05Å; R31-H35 PolarHBondContact O-N 2.85Å; R31-Y57 WeakPolarHBondContact CD-OH 3.41Å; R31-Y57 HydrophobicContact CG-CE2 4.27Å
32	F	97.6	Very high	95.6	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.009	30%	0.295	C	S	.	.	H	α-helix	trans	-59.3	-44	175	176.4	-103.3	0	0	0	112.3	M8 I28 K30 E34 H35 L36 I49 H53 I54 Y57 L78	M8-F32 HydrophobicContact CE-CD1 3.68Å; M8-F32 HydrophobicContact CE-CE1 4.21Å; M8-F32 HydrophobicContact SD-CD1 3.92Å; M8-F32 HydrophobicContact SD-CE1 4.44Å; I28-F32 PolarHBondContact O-N 2.99Å; K30-F32 VanDerWaalsContact C-N 3.32Å; K30-F32 PolarHBondContact O-N 3.03Å; F32-E34 VanDerWaalsContact C-N 3.29Å; F32-E34 PolarHBondContact O-N 3.32Å; F32-H35 WeakPolarHBondContact O-CB 3.45Å; F32-H35 PolarHBondContact O-N 2.89Å; F32-L36 HydrophobicContact CD1-CD1 4.21Å; F32-L36 HydrophobicContact CE1-CD1 3.55Å; F32-L36 HydrophobicContact CE1-CG 4.27Å; F32-L36 HydrophobicContact CE2-CD1 4.43Å; F32-L36 HydrophobicContact CE2-CD2 4.38Å; F32-L36 HydrophobicContact CE2-CG 4.41Å; F32-L36 HydrophobicContact CZ-CD1 3.69Å; F32-L36 HydrophobicContact CZ-CD2 4.25Å; F32-L36 HydrophobicContact CZ-CG 4.14Å; F32-L36 WeakPolarHBondContact O-CG 3.49Å; F32-L36 PolarHBondContact O-N 2.92Å; F32-L36 VanDerWaalsContact O-N 3.1Å; F32-I49 HydrophobicContact CE1-CD1 3.81Å; F32-I49 HydrophobicContact CE1-CG1 4.24Å; F32-I49 HydrophobicContact CE1-CG2 4.42Å; F32-I49 HydrophobicContact CZ-CG2 4.19Å; F32-H53 WeakPolarHBondContact CE2-O 3.25Å; F32-H53 HydrophobicContact CZ-CB 4.15Å; F32-I54 HydrophobicContact CE2-CG1 4.21Å; F32-I54 HydrophobicContact CZ-CG1 4.16Å; F32-Y57 HydrophobicContact CB-CD2 4.5Å; F32-Y57 HydrophobicContact CB-CE2 4.38Å; F32-Y57 AromaticContact CD2-CD1 3.96Å; F32-Y57 HydrophobicContact CD2-CD1 3.96Å; F32-Y57 AromaticContact CD2-CD2 3.96Å; F32-Y57 HydrophobicContact CD2-CD2 3.96Å; F32-Y57 AromaticContact CD2-CG 3.59Å; F32-Y57 HydrophobicContact CD2-CG 3.59Å; F32-Y57 HydrophobicContact CE2-CG 4.23Å; F32-L78 HydrophobicContact CB-CD2 3.81Å; F32-L78 HydrophobicContact CD1-CD2 4.02Å; F32-L78 HydrophobicContact CD2-CD1 4.07Å; F32-L78 HydrophobicContact CD2-CD2 4.19Å; F32-L78 HydrophobicContact CG-CD1 4.42Å; F32-L78 HydrophobicContact CG-CD2 3.73Å
33	S	95.8	Very high	95.5	Very high	4 Å²	4	60 Å²	60	3%	0.028	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-34.5	176.6	-59	0	0	0	0	112.7	M8 T29 K30 R31 R37	M8-S33 PolarHBondContact SD-OG 3.17Å; T29-S33 PolarHBondContact O-N 3.39Å; T29-S33 PolarHBondContact O-OG 3.45Å; K30-S33 WeakPolarHBondContact O-CB 3.45Å; K30-S33 PolarHBondContact O-N 2.92Å; K30-S33 VanDerWaalsContact O-N 3.1Å; R31-S33 VanDerWaalsContact C-N 3.34Å; R31-S33 PolarHBondContact O-N 2.93Å; S33-R37 PolarHBondContact O-N 2.89Å
34	E	95.1	Very high	95.4	Very high	87 Å²	87	61.1 Å²	61.1	41%	0.407	30%	0.297	S	S	.	.	H	α-helix	trans	-70	-42.3	176.3	-72.7	167.2	164.1	0	0	111.4	K30 R31 F32 L36 R37 A38	K30-E34 WeakPolarHBondContact CE-OE1 3.22Å; K30-E34 IonicContact NZ-OE1 3.72Å; K30-E34 WeakPolarHBondContact O-CG 3.41Å; K30-E34 PolarHBondContact O-N 2.84Å; R31-E34 PolarHBondContact O-N 3.05Å; F32-E34 VanDerWaalsContact C-N 3.29Å; F32-E34 PolarHBondContact O-N 3.32Å; E34-L36 PolarHBondContact O-N 2.87Å; E34-R37 PolarHBondContact O-N 2.6Å; E34-A38 PolarHBondContact O-N 2.81Å
35	H	96.5	Very high	95.4	Very high	9 Å²	9	63.6 Å²	63.6	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-55.2	-50.7	172.5	167.3	83.2	0	0	0	112	R31 F32 R37 A38 L39 Y57 E60	R31-H35 PolarHBondContact O-N 2.85Å; F32-H35 WeakPolarHBondContact O-CB 3.45Å; F32-H35 PolarHBondContact O-N 2.89Å; H35-R37 VanDerWaalsContact C-N 3.27Å; H35-R37 PolarHBondContact O-N 2.83Å; H35-A38 WeakPolarHBondContact O-CB 3.42Å; H35-A38 PolarHBondContact O-N 2.78Å; H35-A38 VanDerWaalsContact O-N 3.09Å; H35-L39 WeakPolarHBondContact NE2-CD1 3.33Å; H35-L39 PolarHBondContact O-N 3.47Å; H35-L39 VanDerWaalsContact O-N 3.13Å; H35-Y57 HydrophobicContact CB-CD2 3.78Å; H35-Y57 HydrophobicContact CB-CE2 4.34Å; H35-Y57 AromaticContact CD2-CD2 3.98Å; H35-Y57 AromaticContact CG-CD2 3.74Å; H35-Y57 WeakPolarHBondContact NE2-CA 3.46Å; H35-Y57 PolarHBondContact NE2-N 3.24Å; H35-E60 IonicContact CE1-OE2 3.07Å; H35-E60 PolarHBondContact CE1-OE2 3.45Å; H35-E60 IonicContact CG-OE2 3.28Å; H35-E60 VanDerWaalsContact ND1-CD 3.32Å; H35-E60 IonicContact ND1-OE1 3.83Å; H35-E60 IonicContact ND1-OE2 3.81Å; H35-E60 PolarHBondContact ND1-OE2 2.99Å
36	L	96.7	Very high	95.4	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-38.6	178.8	-64.2	-178.1	0	0	0	112.4	L4 F32 E34 L39 N40 I41 I43 H53	L4-L36 HydrophobicContact CD2-CD1 4.06Å; F32-L36 HydrophobicContact CD1-CD1 4.21Å; F32-L36 HydrophobicContact CE1-CD1 3.55Å; F32-L36 HydrophobicContact CE1-CG 4.27Å; F32-L36 HydrophobicContact CE2-CD1 4.43Å; F32-L36 HydrophobicContact CE2-CD2 4.38Å; F32-L36 HydrophobicContact CE2-CG 4.41Å; F32-L36 HydrophobicContact CZ-CD1 3.69Å; F32-L36 HydrophobicContact CZ-CD2 4.25Å; F32-L36 HydrophobicContact CZ-CG 4.14Å; F32-L36 WeakPolarHBondContact O-CG 3.49Å; F32-L36 PolarHBondContact O-N 2.92Å; F32-L36 VanDerWaalsContact O-N 3.1Å; E34-L36 PolarHBondContact O-N 2.87Å; L36-L39 PolarHBondContact O-N 3.45Å; L36-N40 PolarHBondContact O-N 3.12Å; L36-I41 HydrophobicContact CB-CB 4.23Å; L36-I41 HydrophobicContact CD2-CD1 3.95Å; L36-I41 HydrophobicContact CD2-CG2 4.49Å; L36-I41 WeakPolarHBondContact O-CA 3.36Å; L36-I41 WeakPolarHBondContact O-CB 3.39Å; L36-I41 PolarHBondContact O-N 3.33Å; L36-I43 HydrophobicContact CD1-CD1 3.49Å; L36-I43 VanDerWaalsContact CD1-CD1 3.49Å; L36-I43 HydrophobicContact CD1-CG1 3.91Å; L36-H53 HydrophobicContact CD2-CB 3.79Å
37	R	94.2	Very high	95.3	Very high	133 Å²	133	66.9 Å²	66.9	50%	0.502	32%	0.317	S	S	.	.	H	α-helix	trans	-65.1	-41.6	175.6	-176.5	-174.5	-72.5	141.1	-12	111.6	S33 E34 H35 L39 N40	S33-R37 PolarHBondContact O-N 2.89Å; E34-R37 PolarHBondContact O-N 2.6Å; H35-R37 VanDerWaalsContact C-N 3.27Å; H35-R37 PolarHBondContact O-N 2.83Å; R37-L39 PolarHBondContact O-N 2.92Å; R37-N40 WeakPolarHBondContact O-CA 3.36Å; R37-N40 PolarHBondContact O-N 3.3Å
38	A	95	Very high	95.3	Very high	74 Å²	74	65.9 Å²	65.9	61%	0.612	31%	0.313	S	S	*	.	H	α-helix	trans	-60.6	-33.2	178.8	0	0	0	0	0	112	E34 H35 N40	E34-A38 PolarHBondContact O-N 2.81Å; H35-A38 WeakPolarHBondContact O-CB 3.42Å; H35-A38 PolarHBondContact O-N 2.78Å; H35-A38 VanDerWaalsContact O-N 3.09Å; A38-N40 PolarHBondContact O-N 2.89Å
39	L	95.1	Very high	95.3	Very high	82 Å²	82	65.1 Å²	65.1	43%	0.429	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	11	173.5	-62.5	179.9	0	0	0	114.3	H35 L36 R37 I41 C56	H35-L39 WeakPolarHBondContact NE2-CD1 3.33Å; H35-L39 PolarHBondContact O-N 3.47Å; H35-L39 VanDerWaalsContact O-N 3.13Å; L36-L39 PolarHBondContact O-N 3.45Å; R37-L39 PolarHBondContact O-N 2.92Å; L39-I41 HydrophobicContact CB-CD1 3.94Å; L39-I41 HydrophobicContact CB-CG1 3.96Å; L39-I41 HydrophobicContact CD1-CD1 4.13Å; L39-I41 PolarHBondContact O-N 3.11Å; L39-I41 VanDerWaalsContact O-N 3.12Å; L39-C56 WeakPolarHBondContact CD1-SG 3.4Å
40	N	94.6	Very high	95.3	Very high	136 Å²	136	71.6 Å²	71.6	73%	0.727	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	23.9	-174	-65.6	-49.2	0	0	0	114.3	L36 R37 A38 Q42	L36-N40 PolarHBondContact O-N 3.12Å; R37-N40 WeakPolarHBondContact O-CA 3.36Å; R37-N40 PolarHBondContact O-N 3.3Å; A38-N40 PolarHBondContact O-N 2.89Å; N40-Q42 PolarHBondContact O-N 3.04Å
41	I	93.8	Very high	95.3	Very high	48 Å²	48	68.1 Å²	68.1	25%	0.246	32%	0.32	C	S	.	.			trans	-81.4	98.3	175.4	-59.3	172.6	0	0	0	108.7	L36 L39 I43	L36-I41 HydrophobicContact CB-CB 4.23Å; L36-I41 HydrophobicContact CD2-CD1 3.95Å; L36-I41 HydrophobicContact CD2-CG2 4.49Å; L36-I41 WeakPolarHBondContact O-CA 3.36Å; L36-I41 WeakPolarHBondContact O-CB 3.39Å; L36-I41 PolarHBondContact O-N 3.33Å; L39-I41 HydrophobicContact CB-CD1 3.94Å; L39-I41 HydrophobicContact CB-CG1 3.96Å; L39-I41 HydrophobicContact CD1-CD1 4.13Å; L39-I41 PolarHBondContact O-N 3.11Å; L39-I41 VanDerWaalsContact O-N 3.12Å; I41-I43 VanDerWaalsContact C-N 3.34Å; I41-I43 HydrophobicContact CG2-CG2 4.07Å; I41-I43 PolarHBondContact O-N 2.69Å
42	Q	88.6	Confident	95.3	Very high	165 Å²	165	69.5 Å²	69.5	77%	0.771	33%	0.325	S	S	*	.			trans	-85.4	63	-174.7	-60.1	-164	-6.3	0	0	113.7	N40	N40-Q42 PolarHBondContact O-N 3.04Å
43	I	92.7	Very high	95.3	Very high	22 Å²	22	69.8 Å²	69.8	11%	0.113	33%	0.327	C	S	.	.			trans	-90.4	139.2	170	63.7	163.3	0	0	0	111.5	L4 L36 I41 Q48 I49	L4-I43 HydrophobicContact CD1-CD1 4.2Å; L4-I43 HydrophobicContact CD2-CD1 3.89Å; L4-I43 HydrophobicContact CD2-CG1 3.92Å; L36-I43 HydrophobicContact CD1-CD1 3.49Å; L36-I43 VanDerWaalsContact CD1-CD1 3.49Å; L36-I43 HydrophobicContact CD1-CG1 3.91Å; I41-I43 VanDerWaalsContact C-N 3.34Å; I41-I43 HydrophobicContact CG2-CG2 4.07Å; I41-I43 PolarHBondContact O-N 2.69Å; I43-Q48 HydrophobicContact CB-CB 3.97Å; I43-Q48 HydrophobicContact CG2-CB 3.85Å; I43-I49 HydrophobicContact CD1-CB 4.49Å; I43-I49 HydrophobicContact CD1-CG1 3.55Å
44	Q	93	Very high	95.4	Very high	85 Å²	85	69.7 Å²	69.7	40%	0.397	33%	0.326	S	S	.	.			trans	-107.2	-21.8	-176.2	-62	-65.2	-25.1	0	0	112.6	K3 L4	K3-Q44 CarbonylContact C-O 3.5Å; L4-Q44 WeakPolarHBondContact CA-O 3.36Å; L4-Q44 PolarHBondContact N-O 3.14Å; L4-Q44 VanDerWaalsContact N-O 3.1Å
45	R	95.7	Very high	95.5	Very high	116 Å²	116	66.3 Å²	66.3	44%	0.438	31%	0.31	S	S	.	.	S	Bend	trans	-130.5	147	-170.9	-57.3	-68.5	-70	167.7	5.7	111.6	E7 E47 Q48	E7-R45 IonicContact OE1-CZ 3.08Å; E7-R45 IonicContact OE1-NE 2.63Å; E7-R45 IonicContact OE1-NH1 2.67Å; E7-R45 PolarHBondContact OE1-NH1 2.79Å; E7-R45 IonicContact OE1-NH2 2.96Å; E7-R45 PolarHBondContact OE1-NH2 3.46Å; E7-R45 VanDerWaalsContact OE2-CA 3.27Å; E7-R45 WeakPolarHBondContact OE2-CA 3.33Å; E7-R45 IonicContact OE2-CZ 3.45Å; E7-R45 IonicContact OE2-NE 2.66Å; E7-R45 IonicContact OE2-NH1 3.92Å; R45-E47 HydrophobicContact CB-CG 3.77Å; R45-E47 WeakPolarHBondContact CB-OE1 3.44Å; R45-E47 PolarHBondContact O-N 2.86Å; R45-Q48 HydrophobicContact CB-CG 4.28Å; R45-Q48 WeakPolarHBondContact O-CB 3.2Å; R45-Q48 PolarHBondContact O-N 3.47Å
46	V	96.6	Very high	95.5	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.006	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-61.2	-30	178	168.3	0	0	0	0	112.4	L4 E7 M8 L11 Q48 I49 L82 A85 R87	L4-V46 HydrophobicContact CD1-CG2 3.94Å; E7-V46 HydrophobicContact CB-CG2 4.48Å; E7-V46 HydrophobicContact CG-CG2 4Å; E7-V46 PolarHBondContact OE2-N 3.22Å; M8-V46 HydrophobicContact CG-CG2 3.51Å; L11-V46 HydrophobicContact CD1-CB 4.15Å; L11-V46 HydrophobicContact CD1-CG1 4.14Å; L11-V46 HydrophobicContact CD1-CG2 3.74Å; V46-Q48 PolarHBondContact O-N 3.38Å; V46-I49 HydrophobicContact CB-CD1 4.38Å; V46-I49 HydrophobicContact CG1-CD1 4.19Å; V46-I49 HydrophobicContact CG2-CD1 4.28Å; V46-I49 WeakPolarHBondContact O-CB 3.36Å; V46-I49 WeakPolarHBondContact O-CG1 3.42Å; V46-I49 PolarHBondContact O-N 3.27Å; V46-I49 VanDerWaalsContact O-N 3.08Å; V46-L82 HydrophobicContact CG1-CD2 3.93Å; V46-A85 HydrophobicContact CB-CB 4.38Å; V46-A85 HydrophobicContact CG1-CB 3.44Å; V46-A85 VanDerWaalsContact CG1-CB 3.44Å; V46-R87 HydrophobicContact CG1-CG 4.4Å
47	E	95.8	Very high	95.6	Very high	120 Å²	120	67.8 Å²	67.8	56%	0.561	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-60.3	-25.4	175.2	72.2	-159	162.7	0	0	113.6	R45 I49 R87	R45-E47 HydrophobicContact CB-CG 3.77Å; R45-E47 WeakPolarHBondContact CB-OE1 3.44Å; R45-E47 PolarHBondContact O-N 2.86Å; E47-I49 VanDerWaalsContact C-N 3.35Å; E47-R87 PolarHBondContact O-NE 2.95Å; E47-R87 PolarHBondContact O-NH2 2.77Å; E47-R87 VanDerWaalsContact O-NH2 3.14Å
48	Q	96.6	Very high	95.8	Very high	80 Å²	80	61.5 Å²	61.5	37%	0.374	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-84.9	-7.9	179.7	-57.4	175.6	-69.1	0	0	112.8	I43 R45 V46 R50	I43-Q48 HydrophobicContact CB-CB 3.97Å; I43-Q48 HydrophobicContact CG2-CB 3.85Å; R45-Q48 HydrophobicContact CB-CG 4.28Å; R45-Q48 WeakPolarHBondContact O-CB 3.2Å; R45-Q48 PolarHBondContact O-N 3.47Å; V46-Q48 PolarHBondContact O-N 3.38Å; Q48-R50 PolarHBondContact O-N 3.07Å
49	I	97.2	Very high	95.9	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.291	C	S	.	.			trans	-65.9	121.1	176.3	-65	173	0	0	0	109.1	L4 M8 F32 I43 V46 E47 I54 L82 R87	L4-I49 HydrophobicContact CD1-CD1 4.21Å; L4-I49 HydrophobicContact CD1-CG1 4.41Å; M8-I49 HydrophobicContact CE-CD1 4.21Å; M8-I49 HydrophobicContact SD-CD1 4.31Å; F32-I49 HydrophobicContact CE1-CD1 3.81Å; F32-I49 HydrophobicContact CE1-CG1 4.24Å; F32-I49 HydrophobicContact CE1-CG2 4.42Å; F32-I49 HydrophobicContact CZ-CG2 4.19Å; I43-I49 HydrophobicContact CD1-CB 4.49Å; I43-I49 HydrophobicContact CD1-CG1 3.55Å; V46-I49 HydrophobicContact CB-CD1 4.38Å; V46-I49 HydrophobicContact CG1-CD1 4.19Å; V46-I49 HydrophobicContact CG2-CD1 4.28Å; V46-I49 WeakPolarHBondContact O-CB 3.36Å; V46-I49 WeakPolarHBondContact O-CG1 3.42Å; V46-I49 PolarHBondContact O-N 3.27Å; V46-I49 VanDerWaalsContact O-N 3.08Å; E47-I49 VanDerWaalsContact C-N 3.35Å; I49-I54 HydrophobicContact CG2-CD1 4.13Å; I49-I54 HydrophobicContact CG2-CG1 4.19Å; I49-L82 HydrophobicContact CB-CD2 4.19Å; I49-L82 HydrophobicContact CD1-CD2 3.94Å; I49-L82 HydrophobicContact CG2-CD2 4.1Å; I49-R87 PolarHBondContact O-NH2 2.7Å
50	R	96.7	Very high	96	Very high	138 Å²	138	61.9 Å²	61.9	52%	0.521	28%	0.284	S	S	.	.			trans	-105	160.9	176.2	-59.2	-177.7	-169.5	-172.7	2.3	110.3	Q48 R52 H53	Q48-R50 PolarHBondContact O-N 3.07Å; R50-R52 VanDerWaalsContact C-N 3.3Å; R50-R52 HydrophobicContact CB-CG 4.18Å; R50-R52 PolarHBondContact O-N 3.35Å; R50-H53 PolarHBondContact N-ND1 3.34Å; R50-H53 VanDerWaalsContact N-ND1 3.2Å; R50-H53 WeakPolarHBondContact O-CB 3.47Å; R50-H53 PolarHBondContact O-N 3.29Å
51	V	97.4	Very high	96.1	Very high	22 Å²	22	55.9 Å²	55.9	13%	0.133	25%	0.251	C	S	.	.	H	α-helix	trans	-48.9	-50.2	177	173.7	0	0	0	0	111.6	H53 I54 E55 V90 H93 R95 L96	V51-H53 PolarHBondContact O-N 2.87Å; V51-H53 VanDerWaalsContact O-N 3.09Å; V51-I54 PolarHBondContact O-N 2.92Å; V51-E55 HydrophobicContact CG1-CG 4.43Å; V51-E55 PolarHBondContact O-N 2.98Å; V51-E55 VanDerWaalsContact O-N 3.13Å; V51-V90 HydrophobicContact CG2-CG1 4.11Å; V51-H93 HydrophobicContact CG1-CB 4.46Å; V51-H93 HydrophobicContact CG2-CB 3.71Å; V51-R95 HydrophobicContact CG1-CB 3.93Å; V51-L96 HydrophobicContact CG1-CD2 3.84Å; V51-L96 HydrophobicContact CG1-CG 3.96Å
52	R	96.8	Very high	96.2	Very high	135 Å²	135	56.5 Å²	56.5	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-55.2	-29.4	178.3	73.6	-173	-178.4	-162.1	7.7	115.3	R50 I54 E55 C56	R50-R52 VanDerWaalsContact C-N 3.3Å; R50-R52 HydrophobicContact CB-CG 4.18Å; R50-R52 PolarHBondContact O-N 3.35Å; R52-I54 VanDerWaalsContact C-N 3.3Å; R52-E55 WeakPolarHBondContact CA-OE2 3.08Å; R52-E55 PolarHBondContact N-OE2 3Å; R52-C56 VanDerWaalsContact O-CB 3.29Å; R52-C56 WeakPolarHBondContact O-CB 3.42Å; R52-C56 PolarHBondContact O-N 3.32Å
53	H	97.7	Very high	96.5	Very high	8 Å²	8	56.1 Å²	56.1	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-70.1	-33.6	179.3	-60.7	161.9	0	0	0	110.8	F32 L36 R50 V51 Y57	F32-H53 WeakPolarHBondContact CE2-O 3.25Å; F32-H53 HydrophobicContact CZ-CB 4.15Å; L36-H53 HydrophobicContact CD2-CB 3.79Å; R50-H53 PolarHBondContact N-ND1 3.34Å; R50-H53 VanDerWaalsContact N-ND1 3.2Å; R50-H53 WeakPolarHBondContact O-CB 3.47Å; R50-H53 PolarHBondContact O-N 3.29Å; V51-H53 PolarHBondContact O-N 2.87Å; V51-H53 VanDerWaalsContact O-N 3.09Å; H53-Y57 WeakPolarHBondContact O-CB 3.49Å; H53-Y57 PolarHBondContact O-N 2.88Å
54	I	97.6	Very high	96.6	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-78.9	-39.9	178.4	-59.8	162.6	0	0	0	109.8	F32 I49 V51 R52 Y57 I58 M75 L78 L82 V90 L96	F32-I54 HydrophobicContact CE2-CG1 4.21Å; F32-I54 HydrophobicContact CZ-CG1 4.16Å; I49-I54 HydrophobicContact CG2-CD1 4.13Å; I49-I54 HydrophobicContact CG2-CG1 4.19Å; V51-I54 PolarHBondContact O-N 2.92Å; R52-I54 VanDerWaalsContact C-N 3.3Å; I54-Y57 PolarHBondContact O-N 3.34Å; I54-I58 WeakPolarHBondContact O-CG1 3.25Å; I54-I58 PolarHBondContact O-N 3Å; I54-M75 HydrophobicContact CG2-CE 4.14Å; I54-M75 HydrophobicContact CG2-SD 3.65Å; I54-L78 HydrophobicContact CG2-CD1 4.28Å; I54-L82 HydrophobicContact CD1-CD1 3.46Å; I54-L82 VanDerWaalsContact CD1-CD1 3.46Å; I54-V90 HydrophobicContact CD1-CG1 3.84Å; I54-L96 HydrophobicContact CB-CD1 4.27Å; I54-L96 HydrophobicContact CB-CD2 3.99Å; I54-L96 HydrophobicContact CD1-CD1 3.54Å; I54-L96 HydrophobicContact CG2-CD1 4.29Å; I54-L96 HydrophobicContact CG2-CD2 3.96Å
55	E	97.6	Very high	96.6	Very high	16 Å²	16	62.7 Å²	62.7	8%	0.075	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-53.6	173.9	-67.7	174.7	111.5	0	0	111.3	V51 R52 Y57 I58 E59 R95 L96 L101	V51-E55 HydrophobicContact CG1-CG 4.43Å; V51-E55 PolarHBondContact O-N 2.98Å; V51-E55 VanDerWaalsContact O-N 3.13Å; R52-E55 WeakPolarHBondContact CA-OE2 3.08Å; R52-E55 PolarHBondContact N-OE2 3Å; E55-Y57 VanDerWaalsContact C-N 3.25Å; E55-Y57 PolarHBondContact O-N 3.35Å; E55-I58 CarbonylContact O-C 3.56Å; E55-I58 WeakPolarHBondContact O-CA 3.43Å; E55-I58 PolarHBondContact O-N 3.38Å; E55-E59 WeakPolarHBondContact O-CG 3.38Å; E55-E59 PolarHBondContact O-N 2.81Å; E55-R95 VanDerWaalsContact CD-NE 3.32Å; E55-R95 WeakPolarHBondContact OE1-CB 3.46Å; E55-R95 IonicContact OE1-CZ 2.81Å; E55-R95 IonicContact OE1-NE 2.69Å; E55-R95 PolarHBondContact OE1-NE 3.03Å; E55-R95 IonicContact OE1-NH2 2.85Å; E55-R95 PolarHBondContact OE1-NH2 2.98Å; E55-R95 IonicContact OE2-CZ 3.53Å; E55-R95 IonicContact OE2-NE 3.8Å; E55-R95 PolarHBondContact OE2-NE 3.31Å; E55-R95 IonicContact OE2-NH1 3.89Å; E55-R95 IonicContact OE2-NH2 3.49Å; E55-R95 PolarHBondContact OE2-NH2 3.05Å; E55-L96 HydrophobicContact CG-CD2 3.85Å; E55-L101 HydrophobicContact CB-CD2 4.36Å; E55-L101 HydrophobicContact CG-CD2 3.81Å
56	C	97.2	Very high	96.5	Very high	40 Å²	40	59.2 Å²	59.2	27%	0.27	28%	0.277	S	S	.	.	H	α-helix	trans	-58.6	-37.7	179.2	-172.5	0	0	0	0	112.5	L39 R52 E59 E60	L39-C56 WeakPolarHBondContact CD1-SG 3.4Å; R52-C56 VanDerWaalsContact O-CB 3.29Å; R52-C56 WeakPolarHBondContact O-CB 3.42Å; R52-C56 PolarHBondContact O-N 3.32Å; C56-E59 PolarHBondContact O-N 3.19Å; C56-E60 PolarHBondContact O-N 3.49Å
57	Y	98.1	Very high	96.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-41.9	172.7	172.7	-104.2	0	0	0	112.2	R31 F32 H35 H53 I54 E55 R61 D74 L78	R31-Y57 WeakPolarHBondContact CD-OH 3.41Å; R31-Y57 HydrophobicContact CG-CE2 4.27Å; F32-Y57 HydrophobicContact CB-CD2 4.5Å; F32-Y57 HydrophobicContact CB-CE2 4.38Å; F32-Y57 AromaticContact CD2-CD1 3.96Å; F32-Y57 HydrophobicContact CD2-CD1 3.96Å; F32-Y57 AromaticContact CD2-CD2 3.96Å; F32-Y57 HydrophobicContact CD2-CD2 3.96Å; F32-Y57 AromaticContact CD2-CG 3.59Å; F32-Y57 HydrophobicContact CD2-CG 3.59Å; F32-Y57 HydrophobicContact CE2-CG 4.23Å; H35-Y57 HydrophobicContact CB-CD2 3.78Å; H35-Y57 HydrophobicContact CB-CE2 4.34Å; H35-Y57 AromaticContact CD2-CD2 3.98Å; H35-Y57 AromaticContact CG-CD2 3.74Å; H35-Y57 WeakPolarHBondContact NE2-CA 3.46Å; H35-Y57 PolarHBondContact NE2-N 3.24Å; H53-Y57 WeakPolarHBondContact O-CB 3.49Å; H53-Y57 PolarHBondContact O-N 2.88Å; I54-Y57 PolarHBondContact O-N 3.34Å; E55-Y57 VanDerWaalsContact C-N 3.25Å; E55-Y57 PolarHBondContact O-N 3.35Å; Y57-R61 HydrophobicContact CD1-CG 4.46Å; Y57-R61 HydrophobicContact CD2-CG 4.18Å; Y57-R61 HydrophobicContact CE1-CG 4.15Å; Y57-R61 HydrophobicContact CE2-CG 3.88Å; Y57-R61 HydrophobicContact CG-CG 4.48Å; Y57-R61 WeakPolarHBondContact O-CB 3.4Å; Y57-R61 WeakPolarHBondContact O-CG 3.39Å; Y57-R61 PolarHBondContact O-N 3.26Å; Y57-R61 PolarHBondContact OH-NE 3.06Å; Y57-D74 HydrophobicContact CE1-CB 4.11Å; Y57-D74 PolarHBondContact OH-OD2 2.86Å; Y57-L78 HydrophobicContact CD1-CD1 3.92Å; Y57-L78 HydrophobicContact CE1-CD1 4.03Å
58	I	97.8	Very high	96.1	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-72.2	-36.3	179.5	-64.4	-63.5	0	0	0	111.5	I54 E55 R61 L62 M75 L101 V103	I54-I58 WeakPolarHBondContact O-CG1 3.25Å; I54-I58 PolarHBondContact O-N 3Å; E55-I58 CarbonylContact O-C 3.56Å; E55-I58 WeakPolarHBondContact O-CA 3.43Å; E55-I58 PolarHBondContact O-N 3.38Å; I58-R61 PolarHBondContact O-N 3.32Å; I58-L62 HydrophobicContact CG2-CD1 4.17Å; I58-L62 WeakPolarHBondContact O-CG 3.39Å; I58-L62 PolarHBondContact O-N 3.02Å; I58-M75 HydrophobicContact CD1-CG 3.84Å; I58-M75 HydrophobicContact CD1-SD 3.82Å; I58-M75 HydrophobicContact CG1-CG 4.28Å; I58-M75 HydrophobicContact CG1-SD 3.74Å; I58-L101 HydrophobicContact CB-CD2 4.46Å; I58-L101 HydrophobicContact CG1-CD1 4.34Å; I58-L101 HydrophobicContact CG2-CB 4.19Å; I58-V103 HydrophobicContact CG2-CG1 3.64Å
59	E	96.6	Very high	95.8	Very high	104 Å²	104	59.2 Å²	59.2	49%	0.486	29%	0.287	S	S	.	.	H	α-helix	trans	-59.2	-52.8	174	-72.8	164.9	-176.2	0	0	111.2	E55 C56 R61 L62 E63	E55-E59 WeakPolarHBondContact O-CG 3.38Å; E55-E59 PolarHBondContact O-N 2.81Å; C56-E59 PolarHBondContact O-N 3.19Å; E59-R61 PolarHBondContact O-N 2.97Å; E59-L62 WeakPolarHBondContact O-CA 3.3Å; E59-L62 WeakPolarHBondContact O-CB 3.36Å; E59-L62 PolarHBondContact O-N 3.27Å; E59-E63 WeakPolarHBondContact O-CG 3.33Å; E59-E63 PolarHBondContact O-N 3.38Å
60	E	97.1	Very high	95.6	Very high	61 Å²	61	62.1 Å²	62.1	29%	0.285	31%	0.305	S	S	.	.	H	α-helix	trans	-57.5	-38.9	176.3	-173.3	-157.1	-155.2	0	0	111.1	H35 C56 L62 E63 Q64	H35-E60 IonicContact CE1-OE2 3.07Å; H35-E60 PolarHBondContact CE1-OE2 3.45Å; H35-E60 IonicContact CG-OE2 3.28Å; H35-E60 VanDerWaalsContact ND1-CD 3.32Å; H35-E60 IonicContact ND1-OE1 3.83Å; H35-E60 IonicContact ND1-OE2 3.81Å; H35-E60 PolarHBondContact ND1-OE2 2.99Å; C56-E60 PolarHBondContact O-N 3.49Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.42Å; E60-E63 PolarHBondContact O-N 3.07Å; E60-Q64 VanDerWaalsContact O-CG 3.27Å; E60-Q64 WeakPolarHBondContact O-CG 3.42Å; E60-Q64 PolarHBondContact O-N 3.46Å; E60-Q64 PolarHBondContact OE1-NE2 2.94Å
61	R	97.3	Very high	95.6	Very high	10 Å²	10	55.6 Å²	55.6	4%	0.038	28%	0.281	C	S	.	.	H	α-helix	trans	-72.3	-28.4	-179.3	-60.2	-81	-70.8	145	4	111.8	Y57 I58 E59 Q64 I66 L71 D74	Y57-R61 HydrophobicContact CD1-CG 4.46Å; Y57-R61 HydrophobicContact CD2-CG 4.18Å; Y57-R61 HydrophobicContact CE1-CG 4.15Å; Y57-R61 HydrophobicContact CE2-CG 3.88Å; Y57-R61 HydrophobicContact CG-CG 4.48Å; Y57-R61 WeakPolarHBondContact O-CB 3.4Å; Y57-R61 WeakPolarHBondContact O-CG 3.39Å; Y57-R61 PolarHBondContact O-N 3.26Å; Y57-R61 PolarHBondContact OH-NE 3.06Å; I58-R61 PolarHBondContact O-N 3.32Å; E59-R61 PolarHBondContact O-N 2.97Å; R61-Q64 VanDerWaalsContact NH1-OE1 3.13Å; R61-I66 HydrophobicContact CB-CG1 4.45Å; R61-I66 VanDerWaalsContact NH1-CD1 3.33Å; R61-I66 WeakPolarHBondContact O-CB 3.18Å; R61-I66 WeakPolarHBondContact O-CG1 3.4Å; R61-I66 PolarHBondContact O-N 2.97Å; R61-L71 HydrophobicContact CB-CD2 3.32Å; R61-L71 HydrophobicContact CG-CD2 4.33Å; R61-D74 IonicContact CZ-OD2 2.64Å; R61-D74 IonicContact NE-OD2 3.77Å; R61-D74 PolarHBondContact NE-OD2 3.26Å; R61-D74 IonicContact NH2-OD2 3.75Å; R61-D74 PolarHBondContact NH2-OD2 2.65Å
62	L	95.3	Very high	95.5	Very high	61 Å²	61	56.3 Å²	56.3	32%	0.319	28%	0.283	S	S	.	.	H	α-helix	trans	-69.4	-43	170.3	-77.5	164.3	0	0	0	111	I58 E59 E60 Q64 D65 L68 L71 V103	I58-L62 HydrophobicContact CG2-CD1 4.17Å; I58-L62 WeakPolarHBondContact O-CG 3.39Å; I58-L62 PolarHBondContact O-N 3.02Å; E59-L62 WeakPolarHBondContact O-CA 3.3Å; E59-L62 WeakPolarHBondContact O-CB 3.36Å; E59-L62 PolarHBondContact O-N 3.27Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.42Å; L62-Q64 PolarHBondContact O-N 3.21Å; L62-D65 PolarHBondContact O-N 3.13Å; L62-L68 HydrophobicContact CD2-CD2 4.31Å; L62-L71 HydrophobicContact CD2-CD1 3.44Å; L62-L71 VanDerWaalsContact CD2-CD1 3.44Å; L62-L71 HydrophobicContact CG-CD1 3.76Å; L62-V103 HydrophobicContact CD1-CG1 4.49Å; L62-V103 HydrophobicContact CD2-CG1 4.42Å
63	E	95.3	Very high	95.4	Very high	157 Å²	157	54 Å²	54	73%	0.734	28%	0.28	S	S	*	.	H	α-helix	trans	-61.7	-27.9	175.2	-68.1	171.9	179.3	0	0	112.6	E59 E60 D65	E59-E63 WeakPolarHBondContact O-CG 3.33Å; E59-E63 PolarHBondContact O-N 3.38Å; E60-E63 PolarHBondContact O-N 3.07Å; E63-D65 PolarHBondContact O-N 2.95Å
64	Q	95.1	Very high	95.3	Very high	91 Å²	91	53.8 Å²	53.8	43%	0.425	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	10.1	172.6	-70.6	169.8	9.4	0	0	114.1	E60 R61 L62 I66	E60-Q64 VanDerWaalsContact O-CG 3.27Å; E60-Q64 WeakPolarHBondContact O-CG 3.42Å; E60-Q64 PolarHBondContact O-N 3.46Å; E60-Q64 PolarHBondContact OE1-NE2 2.94Å; R61-Q64 VanDerWaalsContact NH1-OE1 3.13Å; L62-Q64 PolarHBondContact O-N 3.21Å; Q64-I66 HydrophobicContact CB-CD1 4.29Å; Q64-I66 HydrophobicContact CB-CG1 3.79Å; Q64-I66 PolarHBondContact O-N 3.28Å; Q64-I66 VanDerWaalsContact O-N 3.14Å
65	D	92.9	Very high	95.3	Very high	153 Å²	153	53.8 Å²	53.8	82%	0.818	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	32.4	-176.8	-71	-49	0	0	0	113.9	L62 E63 G67	L62-D65 PolarHBondContact O-N 3.13Å; E63-D65 PolarHBondContact O-N 2.95Å; D65-G67 PolarHBondContact O-N 3.31Å
66	I	93.8	Very high	95.2	Very high	43 Å²	43	55.6 Å²	55.6	22%	0.221	30%	0.298	C	S	.	.			trans	-73	126.8	-179.3	-58.7	-67.9	0	0	0	109.7	R61 Q64 L68 T70 L71	R61-I66 HydrophobicContact CB-CG1 4.45Å; R61-I66 VanDerWaalsContact NH1-CD1 3.33Å; R61-I66 WeakPolarHBondContact O-CB 3.18Å; R61-I66 WeakPolarHBondContact O-CG1 3.4Å; R61-I66 PolarHBondContact O-N 2.97Å; Q64-I66 HydrophobicContact CB-CD1 4.29Å; Q64-I66 HydrophobicContact CB-CG1 3.79Å; Q64-I66 PolarHBondContact O-N 3.28Å; Q64-I66 VanDerWaalsContact O-N 3.14Å; I66-L68 PolarHBondContact O-N 2.92Å; I66-T70 HydrophobicContact CG2-CG2 3.7Å; I66-L71 HydrophobicContact CB-CD2 4.08Å; I66-L71 HydrophobicContact CB-CG 4.39Å; I66-L71 HydrophobicContact CG2-CD2 3.9Å; I66-L71 HydrophobicContact CG2-CG 4.11Å
67	G	90.2	Very high	95.2	Very high	46 Å²	46	54.1 Å²	54.1	47%	0.474	29%	0.288	S	S	.	.			trans	-53.6	136.4	-179.4	0	0	0	0	0	113.6	D65 R69 T70 L71	D65-G67 PolarHBondContact O-N 3.31Å; G67-R69 PolarHBondContact O-N 3.01Å; G67-T70 WeakPolarHBondContact O-CA 3.43Å; G67-T70 VanDerWaalsContact O-CB 3.28Å; G67-T70 WeakPolarHBondContact O-CB 3.36Å; G67-T70 PolarHBondContact O-N 3.39Å; G67-L71 PolarHBondContact O-N 3.04Å
68	L	93.3	Very high	95.2	Very high	61 Å²	61	54.2 Å²	54.2	32%	0.319	29%	0.289	S	S	.	.	H	α-helix	trans	-51.8	-36.4	-173.7	-58.3	175.7	0	0	0	114.1	L62 I66 T70 L71 Q72 A106	L62-L68 HydrophobicContact CD2-CD2 4.31Å; I66-L68 PolarHBondContact O-N 2.92Å; L68-T70 VanDerWaalsContact C-N 3.32Å; L68-T70 PolarHBondContact O-N 3.32Å; L68-L71 PolarHBondContact O-N 3.25Å; L68-Q72 VanDerWaalsContact O-CG 3.3Å; L68-Q72 WeakPolarHBondContact O-CG 3.36Å; L68-Q72 PolarHBondContact O-N 3.25Å; L68-A106 HydrophobicContact CB-CB 3.74Å
69	R	91.2	Very high	95.1	Very high	94 Å²	94	56 Å²	56	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-66.6	-35.4	176.9	180	53.6	60.2	74.8	17.6	112.2	G67 Q72 N73 A106 S107 R108	G67-R69 PolarHBondContact O-N 3.01Å; R69-Q72 PolarHBondContact O-N 3.42Å; R69-N73 PolarHBondContact O-N 2.9Å; R69-N73 PolarHBondContact O-ND2 2.92Å; R69-A106 HydrophobicContact CB-CB 4.38Å; R69-S107 PolarHBondContact NH2-O 3.33Å; R69-R108 VanDerWaalsContact NH2-CG 3.31Å
70	T	93.1	Very high	95.1	Very high	62 Å²	62	52.1 Å²	52.1	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-65.6	-43.6	174.8	-57.1	0	0	0	0	109.8	I66 G67 L68 Q72 N73 D74	I66-T70 HydrophobicContact CG2-CG2 3.7Å; G67-T70 WeakPolarHBondContact O-CA 3.43Å; G67-T70 VanDerWaalsContact O-CB 3.28Å; G67-T70 WeakPolarHBondContact O-CB 3.36Å; G67-T70 PolarHBondContact O-N 3.39Å; L68-T70 VanDerWaalsContact C-N 3.32Å; L68-T70 PolarHBondContact O-N 3.32Å; T70-Q72 VanDerWaalsContact C-N 3.34Å; T70-Q72 PolarHBondContact O-N 3.35Å; T70-N73 WeakPolarHBondContact O-CB 3.48Å; T70-N73 PolarHBondContact O-N 2.93Å; T70-N73 VanDerWaalsContact O-N 3.08Å; T70-D74 PolarHBondContact O-N 3.16Å
71	L	96.1	Very high	95.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-40.1	175.3	-60.5	176.7	0	0	0	112.7	R61 L62 I66 G67 L68 N73 D74 M75 V103	R61-L71 HydrophobicContact CB-CD2 3.32Å; R61-L71 HydrophobicContact CG-CD2 4.33Å; L62-L71 HydrophobicContact CD2-CD1 3.44Å; L62-L71 VanDerWaalsContact CD2-CD1 3.44Å; L62-L71 HydrophobicContact CG-CD1 3.76Å; I66-L71 HydrophobicContact CB-CD2 4.08Å; I66-L71 HydrophobicContact CB-CG 4.39Å; I66-L71 HydrophobicContact CG2-CD2 3.9Å; I66-L71 HydrophobicContact CG2-CG 4.11Å; G67-L71 PolarHBondContact O-N 3.04Å; L68-L71 PolarHBondContact O-N 3.25Å; L71-N73 VanDerWaalsContact C-N 3.3Å; L71-N73 PolarHBondContact O-N 3.47Å; L71-D74 WeakPolarHBondContact O-CB 3.47Å; L71-D74 PolarHBondContact O-N 3.49Å; L71-M75 PolarHBondContact O-N 2.92Å; L71-V103 HydrophobicContact CB-CB 4.25Å; L71-V103 HydrophobicContact CB-CG1 3.81Å; L71-V103 HydrophobicContact CD1-CG1 3.65Å; L71-V103 HydrophobicContact CG-CG1 4.36Å
72	Q	95.2	Very high	95.1	Very high	37 Å²	37	48.9 Å²	48.9	17%	0.173	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-37	173.3	-71.5	171.1	-5.8	0	0	112.4	L68 R69 T70 A76 V103	L68-Q72 VanDerWaalsContact O-CG 3.3Å; L68-Q72 WeakPolarHBondContact O-CG 3.36Å; L68-Q72 PolarHBondContact O-N 3.25Å; R69-Q72 PolarHBondContact O-N 3.42Å; T70-Q72 VanDerWaalsContact C-N 3.34Å; T70-Q72 PolarHBondContact O-N 3.35Å; Q72-A76 WeakPolarHBondContact O-CB 3.38Å; Q72-A76 PolarHBondContact O-N 3.4Å; Q72-V103 PolarHBondContact NE2-O 2.95Å
73	N	94.6	Very high	95.2	Very high	86 Å²	86	51.4 Å²	51.4	46%	0.46	27%	0.273	S	S	.	.	H	α-helix	trans	-68.9	-40.2	174.2	-66	-24.4	0	0	0	111.3	R69 T70 L71 M75 A76 A77	R69-N73 PolarHBondContact O-N 2.9Å; R69-N73 PolarHBondContact O-ND2 2.92Å; T70-N73 WeakPolarHBondContact O-CB 3.48Å; T70-N73 PolarHBondContact O-N 2.93Å; T70-N73 VanDerWaalsContact O-N 3.08Å; L71-N73 VanDerWaalsContact C-N 3.3Å; L71-N73 PolarHBondContact O-N 3.47Å; N73-M75 VanDerWaalsContact C-N 3.35Å; N73-A76 PolarHBondContact O-N 3.03Å; N73-A77 WeakPolarHBondContact O-CB 3.48Å; N73-A77 PolarHBondContact O-N 3.48Å
74	D	96.8	Very high	95.3	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-57.8	-50	174.4	-75.3	10.3	0	0	0	109.9	I28 Y57 R61 T70 L71 A76 A77 L78	I28-D74 WeakPolarHBondContact CG1-OD1 3.48Å; I28-D74 HydrophobicContact CG2-CB 4.1Å; Y57-D74 HydrophobicContact CE1-CB 4.11Å; Y57-D74 PolarHBondContact OH-OD2 2.86Å; R61-D74 IonicContact CZ-OD2 2.64Å; R61-D74 IonicContact NE-OD2 3.77Å; R61-D74 PolarHBondContact NE-OD2 3.26Å; R61-D74 IonicContact NH2-OD2 3.75Å; R61-D74 PolarHBondContact NH2-OD2 2.65Å; T70-D74 PolarHBondContact O-N 3.16Å; L71-D74 WeakPolarHBondContact O-CB 3.47Å; L71-D74 PolarHBondContact O-N 3.49Å; D74-A76 PolarHBondContact O-N 3.27Å; D74-A77 PolarHBondContact O-N 2.87Å; D74-L78 WeakPolarHBondContact O-CG 3.46Å; D74-L78 PolarHBondContact O-N 3.47Å
75	M	96.9	Very high	95.4	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-58.2	-49	174.9	-77.6	-58.7	-65.4	0	0	112.3	I54 I58 L71 N73 A77 L78 Q79 L96 L101	I54-M75 HydrophobicContact CG2-CE 4.14Å; I54-M75 HydrophobicContact CG2-SD 3.65Å; I58-M75 HydrophobicContact CD1-CG 3.84Å; I58-M75 HydrophobicContact CD1-SD 3.82Å; I58-M75 HydrophobicContact CG1-CG 4.28Å; I58-M75 HydrophobicContact CG1-SD 3.74Å; L71-M75 PolarHBondContact O-N 2.92Å; N73-M75 VanDerWaalsContact C-N 3.35Å; M75-A77 VanDerWaalsContact C-N 3.28Å; M75-A77 PolarHBondContact O-N 3.1Å; M75-L78 PolarHBondContact O-N 2.91Å; M75-Q79 HydrophobicContact CE-CG 4.49Å; M75-Q79 WeakPolarHBondContact O-CB 3.13Å; M75-Q79 WeakPolarHBondContact O-CG 3.35Å; M75-Q79 PolarHBondContact O-N 2.93Å; M75-L96 HydrophobicContact CE-CB 4.11Å; M75-L96 WeakPolarHBondContact CE-O 3.39Å; M75-L101 HydrophobicContact CE-CD1 3.43Å; M75-L101 VanDerWaalsContact CE-CD1 3.43Å; M75-L101 HydrophobicContact CG-CD1 4.1Å; M75-L101 HydrophobicContact SD-CD1 3.58Å; M75-L101 VanDerWaalsContact SD-CD1 3.58Å
76	A	95.7	Very high	95.6	Very high	55 Å²	55	40.9 Å²	40.9	46%	0.455	24%	0.24	S	C	.	.	H	α-helix	trans	-59.5	-39.4	179.2	0	0	0	0	0	112.3	Q72 N73 D74 A80	Q72-A76 WeakPolarHBondContact O-CB 3.38Å; Q72-A76 PolarHBondContact O-N 3.4Å; N73-A76 PolarHBondContact O-N 3.03Å; D74-A76 PolarHBondContact O-N 3.27Å; A76-A80 WeakPolarHBondContact O-CB 3.4Å; A76-A80 PolarHBondContact O-N 3.43Å
77	A	97.1	Very high	95.7	Very high	9 Å²	9	41 Å²	41	7%	0.074	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-46.9	177	0	0	0	0	0	112.4	R25 I28 N73 D74 M75 A80 V81	R25-A77 HydrophobicContact CB-CB 4.29Å; R25-A77 HydrophobicContact CG-CB 3.88Å; I28-A77 HydrophobicContact CB-CB 4.02Å; I28-A77 HydrophobicContact CD1-CB 3.49Å; I28-A77 VanDerWaalsContact CD1-CB 3.49Å; I28-A77 HydrophobicContact CG1-CB 4.35Å; I28-A77 HydrophobicContact CG2-CB 3.85Å; N73-A77 WeakPolarHBondContact O-CB 3.48Å; N73-A77 PolarHBondContact O-N 3.48Å; D74-A77 PolarHBondContact O-N 2.87Å; M75-A77 VanDerWaalsContact C-N 3.28Å; M75-A77 PolarHBondContact O-N 3.1Å; A77-A80 PolarHBondContact O-N 2.64Å; A77-V81 PolarHBondContact O-N 3.38Å
78	L	97.3	Very high	95.9	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-45.8	176.9	-69.5	175.3	0	0	0	111.3	M8 I28 T29 F32 I54 Y57 D74 M75 A80 V81 L82	M8-L78 HydrophobicContact CE-CD2 3.94Å; I28-L78 HydrophobicContact CG2-CD2 4.46Å; I28-L78 HydrophobicContact CG2-CG 4.27Å; T29-L78 HydrophobicContact CG2-CD2 4.33Å; F32-L78 HydrophobicContact CB-CD2 3.81Å; F32-L78 HydrophobicContact CD1-CD2 4.02Å; F32-L78 HydrophobicContact CD2-CD1 4.07Å; F32-L78 HydrophobicContact CD2-CD2 4.19Å; F32-L78 HydrophobicContact CG-CD1 4.42Å; F32-L78 HydrophobicContact CG-CD2 3.73Å; I54-L78 HydrophobicContact CG2-CD1 4.28Å; Y57-L78 HydrophobicContact CD1-CD1 3.92Å; Y57-L78 HydrophobicContact CE1-CD1 4.03Å; D74-L78 WeakPolarHBondContact O-CG 3.46Å; D74-L78 PolarHBondContact O-N 3.47Å; M75-L78 PolarHBondContact O-N 2.91Å; L78-A80 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 3.3Å; L78-V81 PolarHBondContact O-N 3.24Å; L78-L82 WeakPolarHBondContact O-CB 3.45Å; L78-L82 VanDerWaalsContact O-CG 3.31Å; L78-L82 WeakPolarHBondContact O-CG 3.5Å; L78-L82 PolarHBondContact O-N 3.1Å
79	Q	96.6	Very high	96	Very high	38 Å²	38	49.1 Å²	49.1	18%	0.178	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-39.8	176.5	-69.9	-178.1	3	0	0	112.2	M75 V81 L82 R83 V91	M75-Q79 HydrophobicContact CE-CG 4.49Å; M75-Q79 WeakPolarHBondContact O-CB 3.13Å; M75-Q79 WeakPolarHBondContact O-CG 3.35Å; M75-Q79 PolarHBondContact O-N 2.93Å; Q79-V81 VanDerWaalsContact C-N 3.35Å; Q79-V81 PolarHBondContact O-N 2.88Å; Q79-L82 PolarHBondContact O-N 2.74Å; Q79-R83 WeakPolarHBondContact O-CB 3.25Å; Q79-R83 VanDerWaalsContact O-CG 3.28Å; Q79-R83 WeakPolarHBondContact O-CG 3.42Å; Q79-R83 PolarHBondContact O-N 3.2Å; Q79-V91 HydrophobicContact CB-CG1 3.88Å; Q79-V91 HydrophobicContact CB-CG2 4.35Å; Q79-V91 HydrophobicContact CG-CG1 3.73Å; Q79-V91 HydrophobicContact CG-CG2 4.44Å
80	A	96.8	Very high	96.2	Very high	23 Å²	23	45 Å²	45	19%	0.19	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-43.1	177.6	0	0	0	0	0	111.7	A76 A77 L78 Q84	A76-A80 WeakPolarHBondContact O-CB 3.4Å; A76-A80 PolarHBondContact O-N 3.43Å; A77-A80 PolarHBondContact O-N 2.64Å; L78-A80 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 3.3Å; A80-Q84 WeakPolarHBondContact O-CB 3.41Å; A80-Q84 PolarHBondContact O-N 2.99Å
81	V	97.4	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-43.9	177.1	168.3	0	0	0	0	112	M8 L11 A12 R25 T29 A77 L78 Q79 Q84 A85	M8-V81 HydrophobicContact CB-CG1 4.32Å; M8-V81 HydrophobicContact CE-CG1 4.13Å; M8-V81 HydrophobicContact CG-CG1 4.32Å; L11-V81 HydrophobicContact CB-CG1 3.85Å; L11-V81 HydrophobicContact CD1-CG1 4.11Å; A12-V81 HydrophobicContact CB-CG2 3.88Å; R25-V81 HydrophobicContact CG-CG2 3.88Å; T29-V81 HydrophobicContact CG2-CB 4.24Å; T29-V81 HydrophobicContact CG2-CG1 4.42Å; T29-V81 HydrophobicContact CG2-CG2 3.61Å; A77-V81 PolarHBondContact O-N 3.38Å; L78-V81 PolarHBondContact O-N 3.24Å; Q79-V81 VanDerWaalsContact C-N 3.35Å; Q79-V81 PolarHBondContact O-N 2.88Å; V81-Q84 WeakPolarHBondContact O-CB 3.25Å; V81-Q84 PolarHBondContact O-N 3.46Å; V81-A85 PolarHBondContact O-N 2.89Å
82	L	97.4	Very high	96.3	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-41.4	179.6	-70.1	169	0	0	0	112	V46 I49 I54 L78 Q79 Q84 A85 G86 R87 V90 V91	V46-L82 HydrophobicContact CG1-CD2 3.93Å; I49-L82 HydrophobicContact CB-CD2 4.19Å; I49-L82 HydrophobicContact CD1-CD2 3.94Å; I49-L82 HydrophobicContact CG2-CD2 4.1Å; I54-L82 HydrophobicContact CD1-CD1 3.46Å; I54-L82 VanDerWaalsContact CD1-CD1 3.46Å; L78-L82 WeakPolarHBondContact O-CB 3.45Å; L78-L82 VanDerWaalsContact O-CG 3.31Å; L78-L82 WeakPolarHBondContact O-CG 3.5Å; L78-L82 PolarHBondContact O-N 3.1Å; Q79-L82 PolarHBondContact O-N 2.74Å; L82-Q84 VanDerWaalsContact C-N 3.31Å; L82-Q84 PolarHBondContact O-N 3.42Å; L82-A85 CarbonylContact O-C 3.12Å; L82-A85 PolarHBondContact O-N 3.19Å; L82-A85 VanDerWaalsContact O-N 3.13Å; L82-G86 PolarHBondContact O-N 2.88Å; L82-R87 HydrophobicContact CB-CB 4.12Å; L82-R87 HydrophobicContact CD2-CB 4.12Å; L82-R87 HydrophobicContact CD2-CG 4.38Å; L82-R87 WeakPolarHBondContact O-CA 3.2Å; L82-R87 WeakPolarHBondContact O-CB 3.31Å; L82-R87 PolarHBondContact O-N 3.25Å; L82-V90 HydrophobicContact CD1-CG1 4.37Å; L82-V91 HydrophobicContact CB-CG2 3.38Å; L82-V91 HydrophobicContact CD1-CG2 4.03Å; L82-V91 HydrophobicContact CG-CG2 4.36Å
83	R	96.8	Very high	96.4	Very high	113 Å²	113	50 Å²	50	43%	0.426	26%	0.26	S	S	.	.	H	α-helix	trans	-59.5	-43.3	172.3	-74.2	-175.9	-172.3	108	3.9	111.3	Q79 A85 G86 V91	Q79-R83 WeakPolarHBondContact O-CB 3.25Å; Q79-R83 VanDerWaalsContact O-CG 3.28Å; Q79-R83 WeakPolarHBondContact O-CG 3.42Å; Q79-R83 PolarHBondContact O-N 3.2Å; R83-A85 PolarHBondContact O-N 2.85Å; R83-G86 PolarHBondContact O-N 3.09Å; R83-V91 HydrophobicContact CG-CB 4.44Å; R83-V91 HydrophobicContact CG-CG1 4.15Å; R83-V91 HydrophobicContact CG-CG2 4.23Å; R83-V91 VanDerWaalsContact NH2-CG1 3.31Å
84	Q	96.9	Very high	96.5	Very high	88 Å²	88	50.6 Å²	50.6	41%	0.411	27%	0.268	S	S	.	.	H	α-helix	trans	-63.1	-27.8	177.2	-172.6	60.4	50.8	0	0	113	L11 K14 A15 A80 V81 L82 G86	L11-Q84 HydrophobicContact CB-CG 4.48Å; L11-Q84 HydrophobicContact CD2-CB 4.29Å; L11-Q84 HydrophobicContact CD2-CG 3.84Å; K14-Q84 HydrophobicContact CB-CG 4Å; A15-Q84 HydrophobicContact CB-CB 4.14Å; A15-Q84 HydrophobicContact CB-CG 4.25Å; A80-Q84 WeakPolarHBondContact O-CB 3.41Å; A80-Q84 PolarHBondContact O-N 2.99Å; V81-Q84 WeakPolarHBondContact O-CB 3.25Å; V81-Q84 PolarHBondContact O-N 3.46Å; L82-Q84 VanDerWaalsContact C-N 3.31Å; L82-Q84 PolarHBondContact O-N 3.42Å; Q84-G86 VanDerWaalsContact C-N 3.32Å
85	A	96.8	Very high	96.5	Very high	39 Å²	39	56.6 Å²	56.6	32%	0.322	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	7.5	175.8	0	0	0	0	0	114	L11 V46 V81 L82 R83 R87	L11-A85 HydrophobicContact CD1-CB 3.79Å; L11-A85 HydrophobicContact CD2-CB 4.13Å; V46-A85 HydrophobicContact CB-CB 4.38Å; V46-A85 HydrophobicContact CG1-CB 3.44Å; V46-A85 VanDerWaalsContact CG1-CB 3.44Å; V81-A85 PolarHBondContact O-N 2.89Å; L82-A85 CarbonylContact O-C 3.12Å; L82-A85 PolarHBondContact O-N 3.19Å; L82-A85 VanDerWaalsContact O-N 3.13Å; R83-A85 PolarHBondContact O-N 2.85Å; A85-R87 VanDerWaalsContact C-N 3.26Å; A85-R87 HydrophobicContact CB-CG 4.25Å; A85-R87 PolarHBondContact O-N 3.38Å
86	G	96.7	Very high	96.4	Very high	53 Å²	53	56.7 Å²	56.7	55%	0.546	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	12.8	-176.7	0	0	0	0	0	114.5	L82 R83 Q84 R88 Q89	L82-G86 PolarHBondContact O-N 2.88Å; R83-G86 PolarHBondContact O-N 3.09Å; Q84-G86 VanDerWaalsContact C-N 3.32Å; G86-R88 VanDerWaalsContact C-N 3.28Å; G86-R88 PolarHBondContact O-N 3.26Å; G86-Q89 PolarHBondContact O-OE1 3.33Å
87	R	96.8	Very high	96.4	Very high	47 Å²	47	57.3 Å²	57.3	18%	0.177	29%	0.289	C	S	.	.			trans	-89.5	42.6	-178.6	-61.9	-71.6	-74.4	161.5	-3.9	112.9	V46 E47 I49 L82 A85 Q89 V90 V91	V46-R87 HydrophobicContact CG1-CG 4.4Å; E47-R87 PolarHBondContact O-NE 2.95Å; E47-R87 PolarHBondContact O-NH2 2.77Å; E47-R87 VanDerWaalsContact O-NH2 3.14Å; I49-R87 PolarHBondContact O-NH2 2.7Å; L82-R87 HydrophobicContact CB-CB 4.12Å; L82-R87 HydrophobicContact CD2-CB 4.12Å; L82-R87 HydrophobicContact CD2-CG 4.38Å; L82-R87 WeakPolarHBondContact O-CA 3.2Å; L82-R87 WeakPolarHBondContact O-CB 3.31Å; L82-R87 PolarHBondContact O-N 3.25Å; A85-R87 VanDerWaalsContact C-N 3.26Å; A85-R87 HydrophobicContact CB-CG 4.25Å; A85-R87 PolarHBondContact O-N 3.38Å; R87-Q89 VanDerWaalsContact C-N 3.3Å; R87-Q89 VanDerWaalsContact CA-OE1 3.23Å; R87-Q89 PolarHBondContact O-N 3.05Å; R87-V90 HydrophobicContact CB-CB 4.49Å; R87-V90 HydrophobicContact CB-CG2 4.37Å; R87-V90 VanDerWaalsContact CZ-CG2 3.46Å; R87-V90 PolarHBondContact O-N 3.44Å; R87-V90 VanDerWaalsContact O-N 3.16Å; R87-V91 PolarHBondContact O-N 2.82Å
88	R	95	Very high	96.2	Very high	163 Å²	163	59.9 Å²	59.9	62%	0.615	30%	0.301	S	S	*	.	H	α-helix	trans	-59.1	-39.9	-177.5	-68.5	-171.3	-174	-173.7	3.1	112.7	G86 V90 V91 E92	G86-R88 VanDerWaalsContact C-N 3.28Å; G86-R88 PolarHBondContact O-N 3.26Å; R88-V90 PolarHBondContact O-N 3.25Å; R88-V91 PolarHBondContact O-N 3.32Å; R88-E92 WeakPolarHBondContact O-CB 3.41Å; R88-E92 WeakPolarHBondContact O-CG 3.47Å; R88-E92 PolarHBondContact O-N 2.97Å
89	Q	95.1	Very high	96	Very high	114 Å²	114	68.4 Å²	68.4	53%	0.533	34%	0.338	S	S	.	.	H	α-helix	trans	-58.5	-31.4	177.4	72.4	-79.3	39.4	0	0	113.6	G86 R87	G86-Q89 PolarHBondContact O-OE1 3.33Å; R87-Q89 VanDerWaalsContact C-N 3.3Å; R87-Q89 VanDerWaalsContact CA-OE1 3.23Å; R87-Q89 PolarHBondContact O-N 3.05Å
90	V	95.8	Very high	96	Very high	6 Å²	6	69.5 Å²	69.5	4%	0.036	35%	0.354	C	S	.	.	H	α-helix	trans	-74	-46.7	174.1	178.7	0	0	0	0	109.6	V51 I54 L82 R87 R88 E92 H93 L96	V51-V90 HydrophobicContact CG2-CG1 4.11Å; I54-V90 HydrophobicContact CD1-CG1 3.84Å; L82-V90 HydrophobicContact CD1-CG1 4.37Å; R87-V90 HydrophobicContact CB-CB 4.49Å; R87-V90 HydrophobicContact CB-CG2 4.37Å; R87-V90 VanDerWaalsContact CZ-CG2 3.46Å; R87-V90 PolarHBondContact O-N 3.44Å; R87-V90 VanDerWaalsContact O-N 3.16Å; R88-V90 PolarHBondContact O-N 3.25Å; V90-E92 VanDerWaalsContact C-N 3.34Å; V90-E92 PolarHBondContact O-N 3.38Å; V90-H93 VanDerWaalsContact O-CB 3.25Å; V90-H93 WeakPolarHBondContact O-CB 3.41Å; V90-H93 PolarHBondContact O-N 2.81Å; V90-L96 HydrophobicContact CG1-CD1 4.1Å; V90-L96 WeakPolarHBondContact O-CD1 3.43Å
91	V	95	Very high	95.9	Very high	7 Å²	7	69.2 Å²	69.2	4%	0.042	35%	0.349	C	S	.	.	H	α-helix	trans	-64.3	-37.6	-176.2	170.8	0	0	0	0	112.8	Q79 L82 R83 R87 R88 H93	Q79-V91 HydrophobicContact CB-CG1 3.88Å; Q79-V91 HydrophobicContact CB-CG2 4.35Å; Q79-V91 HydrophobicContact CG-CG1 3.73Å; Q79-V91 HydrophobicContact CG-CG2 4.44Å; L82-V91 HydrophobicContact CB-CG2 3.38Å; L82-V91 HydrophobicContact CD1-CG2 4.03Å; L82-V91 HydrophobicContact CG-CG2 4.36Å; R83-V91 HydrophobicContact CG-CB 4.44Å; R83-V91 HydrophobicContact CG-CG1 4.15Å; R83-V91 HydrophobicContact CG-CG2 4.23Å; R83-V91 VanDerWaalsContact NH2-CG1 3.31Å; R87-V91 PolarHBondContact O-N 2.82Å; R88-V91 PolarHBondContact O-N 3.32Å; V91-H93 VanDerWaalsContact C-N 3.28Å
92	E	95.7	Very high	95.8	Very high	130 Å²	130	71.6 Å²	71.6	61%	0.607	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	1.5	-177.4	-68.8	166.6	-172.3	0	0	112.7	R88 V90	R88-E92 WeakPolarHBondContact O-CB 3.41Å; R88-E92 WeakPolarHBondContact O-CG 3.47Å; R88-E92 PolarHBondContact O-N 2.97Å; V90-E92 VanDerWaalsContact C-N 3.34Å; V90-E92 PolarHBondContact O-N 3.38Å
93	H	97.7	Very high	95.6	Very high	69 Å²	69	71.5 Å²	71.5	32%	0.319	37%	0.373	S	S	.	.			trans	-62.3	133	179.6	-164.4	-82	0	0	0	111	V51 V90 V91 R95 L96	V51-H93 HydrophobicContact CG1-CB 4.46Å; V51-H93 HydrophobicContact CG2-CB 3.71Å; V90-H93 VanDerWaalsContact O-CB 3.25Å; V90-H93 WeakPolarHBondContact O-CB 3.41Å; V90-H93 PolarHBondContact O-N 2.81Å; V91-H93 VanDerWaalsContact C-N 3.28Å; H93-R95 VanDerWaalsContact CE1-CD 3.46Å; H93-R95 WeakPolarHBondContact CE1-CD 3.33Å; H93-R95 WeakPolarHBondContact ND1-CB 3.45Å; H93-R95 PolarHBondContact ND1-N 3.12Å; H93-R95 PolarHBondContact O-N 3.32Å; H93-L96 PolarHBondContact O-N 3.14Å
94	P	96.5	Very high	95.3	Very high	97 Å²	97	68.7 Å²	68.7	63%	0.63	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-55.6	-30.3	-176.3	-28.5	34.7	0	0	0	114.7	L96 T97 A100	P94-L96 VanDerWaalsContact C-N 3.27Å; P94-L96 PolarHBondContact O-N 3.17Å; P94-T97 WeakPolarHBondContact O-CG2 3.47Å; P94-T97 PolarHBondContact O-N 2.98Å; P94-T97 PolarHBondContact O-OG1 3.48Å; P94-T97 VanDerWaalsContact O-OG1 3.11Å; P94-A100 WeakPolarHBondContact O-CB 3.45Å
95	R	96.7	Very high	94.8	Very high	131 Å²	131	68 Å²	68	49%	0.494	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-67.3	-19.2	175.4	-63.7	175.3	63.7	166.2	2.6	114.5	V51 E55 H93 A100	V51-R95 HydrophobicContact CG1-CB 3.93Å; E55-R95 VanDerWaalsContact CD-NE 3.32Å; E55-R95 WeakPolarHBondContact OE1-CB 3.46Å; E55-R95 IonicContact OE1-CZ 2.81Å; E55-R95 IonicContact OE1-NE 2.69Å; E55-R95 PolarHBondContact OE1-NE 3.03Å; E55-R95 IonicContact OE1-NH2 2.85Å; E55-R95 PolarHBondContact OE1-NH2 2.98Å; E55-R95 IonicContact OE2-CZ 3.53Å; E55-R95 IonicContact OE2-NE 3.8Å; E55-R95 PolarHBondContact OE2-NE 3.31Å; E55-R95 IonicContact OE2-NH1 3.89Å; E55-R95 IonicContact OE2-NH2 3.49Å; E55-R95 PolarHBondContact OE2-NH2 3.05Å; H93-R95 VanDerWaalsContact CE1-CD 3.46Å; H93-R95 WeakPolarHBondContact CE1-CD 3.33Å; H93-R95 WeakPolarHBondContact ND1-CB 3.45Å; H93-R95 PolarHBondContact ND1-N 3.12Å; H93-R95 PolarHBondContact O-N 3.32Å; R95-A100 WeakPolarHBondContact O-CB 3.23Å
96	L	95.5	Very high	94.2	Very high	3 Å²	3	67.1 Å²	67.1	2%	0.016	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-98.5	17.3	179.4	-60.3	-167.2	0	0	0	113.7	V51 I54 E55 M75 V90 H93 P94 L101	V51-L96 HydrophobicContact CG1-CD2 3.84Å; V51-L96 HydrophobicContact CG1-CG 3.96Å; I54-L96 HydrophobicContact CB-CD1 4.27Å; I54-L96 HydrophobicContact CB-CD2 3.99Å; I54-L96 HydrophobicContact CD1-CD1 3.54Å; I54-L96 HydrophobicContact CG2-CD1 4.29Å; I54-L96 HydrophobicContact CG2-CD2 3.96Å; E55-L96 HydrophobicContact CG-CD2 3.85Å; M75-L96 HydrophobicContact CE-CB 4.11Å; M75-L96 WeakPolarHBondContact CE-O 3.39Å; V90-L96 HydrophobicContact CG1-CD1 4.1Å; V90-L96 WeakPolarHBondContact O-CD1 3.43Å; H93-L96 PolarHBondContact O-N 3.14Å; P94-L96 VanDerWaalsContact C-N 3.27Å; P94-L96 PolarHBondContact O-N 3.17Å; L96-L101 HydrophobicContact CD2-CD2 4.31Å
97	T	93.9	Very high	93.4	Very high	68 Å²	68	68.4 Å²	68.4	42%	0.417	38%	0.381	S	S	.	.	S	Bend	trans	-75.5	150.6	170.3	63.8	0	0	0	0	110.4	P94 K99 A100 L101	P94-T97 WeakPolarHBondContact O-CG2 3.47Å; P94-T97 PolarHBondContact O-N 2.98Å; P94-T97 PolarHBondContact O-OG1 3.48Å; P94-T97 VanDerWaalsContact O-OG1 3.11Å; T97-K99 PolarHBondContact O-N 3.27Å; T97-K99 VanDerWaalsContact O-N 3.08Å; T97-A100 PolarHBondContact O-N 3.38Å; T97-A100 VanDerWaalsContact O-N 3.14Å; T97-A100 VanDerWaalsContact OG1-CB 3.24Å; T97-A100 WeakPolarHBondContact OG1-CB 3.26Å; T97-A100 PolarHBondContact OG1-N 3Å; T97-A100 VanDerWaalsContact OG1-N 3.12Å; T97-L101 WeakPolarHBondContact O-CG 3.3Å; T97-L101 PolarHBondContact O-N 3.34Å
98	N	93.4	Very high	92.5	Very high	64 Å²	64	74.3 Å²	74.3	34%	0.342	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.7	175.3	-71.9	-16.7	0	0	0	112.5	V103 S104	N98-V103 HydrophobicContact CB-CG2 3.84Å; N98-V103 CarbonylContact O-C 3.53Å; N98-V103 PolarHBondContact O-N 3.43Å; N98-S104 PolarHBondContact O-N 2.91Å; N98-S104 VanDerWaalsContact O-N 3.09Å; N98-S104 PolarHBondContact O-OG 3.36Å
99	K	94.1	Very high	91.6	Very high	180 Å²	180	69.5 Å²	69.5	78%	0.783	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-49.1	177.5	-175	-179.9	176.8	-177	0	110.7	T97 L101 G102 S104	T97-K99 PolarHBondContact O-N 3.27Å; T97-K99 VanDerWaalsContact O-N 3.08Å; K99-L101 VanDerWaalsContact C-N 3.28Å; K99-L101 PolarHBondContact O-N 2.91Å; K99-G102 PolarHBondContact O-N 3.44Å; K99-G102 VanDerWaalsContact O-N 3.16Å; K99-S104 VanDerWaalsContact CA-OG 3.23Å; K99-S104 WeakPolarHBondContact CA-OG 3.43Å; K99-S104 PolarHBondContact N-OG 2.73Å; K99-S104 VanDerWaalsContact N-OG 3.1Å
100	A	95.3	Very high	90.6	Very high	61 Å²	61	66 Å²	66	50%	0.504	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-36.6	179.4	0	0	0	0	0	112.4	P94 R95 T97 G102	P94-A100 WeakPolarHBondContact O-CB 3.45Å; R95-A100 WeakPolarHBondContact O-CB 3.23Å; T97-A100 PolarHBondContact O-N 3.38Å; T97-A100 VanDerWaalsContact O-N 3.14Å; T97-A100 VanDerWaalsContact OG1-CB 3.24Å; T97-A100 WeakPolarHBondContact OG1-CB 3.26Å; T97-A100 PolarHBondContact OG1-N 3Å; T97-A100 VanDerWaalsContact OG1-N 3.12Å; A100-G102 VanDerWaalsContact C-N 3.27Å; A100-G102 PolarHBondContact O-N 3.11Å
101	L	95.9	Very high	89.9	Confident	17 Å²	17	71.2 Å²	71.2	9%	0.089	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	2	178.6	-65.6	172.5	0	0	0	114.1	E55 I58 M75 L96 T97 K99 V103	E55-L101 HydrophobicContact CB-CD2 4.36Å; E55-L101 HydrophobicContact CG-CD2 3.81Å; I58-L101 HydrophobicContact CB-CD2 4.46Å; I58-L101 HydrophobicContact CG1-CD1 4.34Å; I58-L101 HydrophobicContact CG2-CB 4.19Å; M75-L101 HydrophobicContact CE-CD1 3.43Å; M75-L101 VanDerWaalsContact CE-CD1 3.43Å; M75-L101 HydrophobicContact CG-CD1 4.1Å; M75-L101 HydrophobicContact SD-CD1 3.58Å; M75-L101 VanDerWaalsContact SD-CD1 3.58Å; L96-L101 HydrophobicContact CD2-CD2 4.31Å; T97-L101 WeakPolarHBondContact O-CG 3.3Å; T97-L101 PolarHBondContact O-N 3.34Å; K99-L101 VanDerWaalsContact C-N 3.28Å; K99-L101 PolarHBondContact O-N 2.91Å; L101-V103 HydrophobicContact CB-CG1 4.38Å; L101-V103 HydrophobicContact CB-CG2 4.07Å; L101-V103 PolarHBondContact O-N 3.38Å; L101-V103 VanDerWaalsContact O-N 3.13Å
102	G	93.9	Very high	89.6	Confident	51 Å²	51	76.1 Å²	76.1	53%	0.526	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	8.2	-177.1	0	0	0	0	0	115.3	K99 A100 S104	K99-G102 PolarHBondContact O-N 3.44Å; K99-G102 VanDerWaalsContact O-N 3.16Å; A100-G102 VanDerWaalsContact C-N 3.27Å; A100-G102 PolarHBondContact O-N 3.11Å; G102-S104 PolarHBondContact O-N 3.35Å
103	V	93.4	Very high	89.4	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	42%	0.421	C	S	.	.			trans	-95	18.4	-176.8	-56.4	0	0	0	0	114	I58 L62 L71 Q72 N98 L101	I58-V103 HydrophobicContact CG2-CG1 3.64Å; L62-V103 HydrophobicContact CD1-CG1 4.49Å; L62-V103 HydrophobicContact CD2-CG1 4.42Å; L71-V103 HydrophobicContact CB-CB 4.25Å; L71-V103 HydrophobicContact CB-CG1 3.81Å; L71-V103 HydrophobicContact CD1-CG1 3.65Å; L71-V103 HydrophobicContact CG-CG1 4.36Å; Q72-V103 PolarHBondContact NE2-O 2.95Å; N98-V103 HydrophobicContact CB-CG2 3.84Å; N98-V103 CarbonylContact O-C 3.53Å; N98-V103 PolarHBondContact O-N 3.43Å; L101-V103 HydrophobicContact CB-CG1 4.38Å; L101-V103 HydrophobicContact CB-CG2 4.07Å; L101-V103 PolarHBondContact O-N 3.38Å; L101-V103 VanDerWaalsContact O-N 3.13Å
104	S	90.3	Very high	89.3	Confident	54 Å²	54	71.6 Å²	71.6	38%	0.378	41%	0.411	S	S	.	.			trans	-80.6	166.2	176.4	-67.1	0	0	0	0	112.1	N98 K99 G102 A106	N98-S104 PolarHBondContact O-N 2.91Å; N98-S104 VanDerWaalsContact O-N 3.09Å; N98-S104 PolarHBondContact O-OG 3.36Å; K99-S104 VanDerWaalsContact CA-OG 3.23Å; K99-S104 WeakPolarHBondContact CA-OG 3.43Å; K99-S104 PolarHBondContact N-OG 2.73Å; K99-S104 VanDerWaalsContact N-OG 3.1Å; G102-S104 PolarHBondContact O-N 3.35Å; S104-A106 PolarHBondContact O-N 2.92Å
105	G	86.8	Confident	89.2	Confident	75 Å²	75	67.4 Å²	67.4	77%	0.773	38%	0.384	S	S	*	.			trans	84	4.6	173.2	0	0	0	0	0	116.2	S107	G105-S107 PolarHBondContact O-N 2.6Å; G105-S107 VanDerWaalsContact O-N 3.07Å
106	A	83.9	Confident	89.2	Confident	20 Å²	20	63.8 Å²	63.8	17%	0.165	38%	0.376	C	S	.	.			trans	-57.6	115.6	176.3	0	0	0	0	0	112.2	L68 R69 S104	L68-A106 HydrophobicContact CB-CB 3.74Å; R69-A106 HydrophobicContact CB-CB 4.38Å; S104-A106 PolarHBondContact O-N 2.92Å
107	S	80.4	Confident	89.2	Confident	79 Å²	79	68.1 Å²	68.1	55%	0.552	41%	0.405	S	S	*	.			trans	-63.4	143.5	176.9	-173.4	0	0	0	0	111.7	R69 G105 N109	R69-S107 PolarHBondContact NH2-O 3.33Å; G105-S107 PolarHBondContact O-N 2.6Å; G105-S107 VanDerWaalsContact O-N 3.07Å; S107-N109 WeakPolarHBondContact OG-CB 3.27Å; S107-N109 PolarHBondContact OG-N 3.35Å
108	R	77.4	Confident	89.4	Confident	172 Å²	172	70.6 Å²	70.6	65%	0.649	41%	0.411	S	S	*	.			trans	-89.4	-7.4	167.5	-74.2	-174.6	176.3	-170	1.4	112.4	R69 G110	R69-R108 VanDerWaalsContact NH2-CG 3.31Å; R108-G110 PolarHBondContact O-N 3.21Å
109	N	76.3	Confident	89.6	Confident	62 Å²	62	69.3 Å²	69.3	33%	0.332	40%	0.403	S	S	.	.			trans	-70.6	127.5	176.5	-62	-7.9	0	0	0	108.3	S107 Q285	S107-N109 WeakPolarHBondContact OG-CB 3.27Å; S107-N109 PolarHBondContact OG-N 3.35Å; N109-Q285 WeakPolarHBondContact OD1-CG 3.47Å; N109-Q285 PolarHBondContact OD1-NE2 2.94Å
110	G	74.3	Confident	89.8	Confident	39 Å²	39	62.6 Å²	62.6	40%	0.402	37%	0.373	S	S	.	.			trans	-73	158.2	171.1	0	0	0	0	0	110.8	R108 R112	R108-G110 PolarHBondContact O-N 3.21Å; G110-R112 VanDerWaalsContact C-N 3.32Å
111	T	82	Confident	89.9	Confident	116 Å²	116	65.5 Å²	65.5	71%	0.712	38%	0.377	S	S	*	.	S	Bend	trans	-87.2	-3.3	172.1	53.5	0	0	0	0	113.1
112	R	88.5	Confident	90	Very high	111 Å²	111	69.8 Å²	69.8	42%	0.419	40%	0.396	S	S	.	.			trans	-85.5	151.9	-176.9	-63	-179.5	-176	86	4.3	111.3	G110 E237 S239 Y245	G110-R112 VanDerWaalsContact C-N 3.32Å; R112-E237 VanDerWaalsContact CA-O 3.32Å; R112-E237 WeakPolarHBondContact CA-O 3.16Å; R112-S239 WeakPolarHBondContact CD-OG 3.42Å; R112-S239 PolarHBondContact NE-OG 3.47Å; R112-Y245 HydrophobicContact CB-CE1 4.13Å; R112-Y245 WeakPolarHBondContact O-CE1 3.25Å
113	R	91.5	Very high	90.2	Very high	88 Å²	88	67.4 Å²	67.4	33%	0.332	37%	0.371	S	S	.	.			trans	-121.8	164.5	172.3	-63.6	-164.3	-166.5	165.7	29.6	112.4	E237 F238 S242	R113-E237 HydrophobicContact CB-CG 4.2Å; R113-E237 VanDerWaalsContact CD-OE1 3.3Å; R113-E237 WeakPolarHBondContact CD-OE1 3.24Å; R113-E237 HydrophobicContact CG-CG 3.87Å; R113-E237 WeakPolarHBondContact CG-OE1 3.43Å; R113-E237 IonicContact CZ-OE1 3.21Å; R113-E237 PolarHBondContact N-O 3.05Å; R113-E237 IonicContact NE-OE1 3.44Å; R113-E237 PolarHBondContact NE-OE1 3.03Å; R113-E237 IonicContact NH2-OE1 3.99Å; R113-E237 PolarHBondContact NH2-OE1 2.85Å; R113-E237 IonicContact NH2-OE2 2.68Å; R113-F238 HydrophobicContact CB-CE1 4.3Å; R113-S242 WeakPolarHBondContact O-CA 3.31Å; R113-S242 WeakPolarHBondContact O-CB 3.43Å; R113-S242 PolarHBondContact O-OG 2.69Å
114	A	94.6	Very high	90.5	Very high	15 Å²	15	67.4 Å²	67.4	12%	0.124	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-57.7	136.2	162.3	0	0	0	0	0	109.5	F238 Y245 A246	A114-F238 WeakPolarHBondContact O-CE1 3.25Å; A114-Y245 VanDerWaalsContact CA-CB 3.49Å; A114-A246 HydrophobicContact CB-CB 4.1Å
115	I	95.9	Very high	90.9	Very high	10 Å²	10	71.3 Å²	71.3	5%	0.051	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-64.1	139.5	172.5	-163.3	163.6	0	0	0	109.2	H119 Y120 V123 L234 F238 S242 L243 A246	I115-H119 HydrophobicContact CD1-CB 4.5Å; I115-H119 HydrophobicContact CG1-CB 4Å; I115-Y120 HydrophobicContact CD1-CD2 4.36Å; I115-Y120 HydrophobicContact CG2-CD2 4.46Å; I115-V123 HydrophobicContact CD1-CG2 4.3Å; I115-L234 HydrophobicContact CD1-CD2 3.67Å; I115-F238 HydrophobicContact CG1-CD1 4.41Å; I115-S242 PolarHBondContact N-O 2.87Å; I115-L243 HydrophobicContact CD1-CD2 4.07Å; I115-L243 HydrophobicContact CG2-CD2 3.86Å; I115-A246 HydrophobicContact CG2-CB 3.88Å
116	T	95.3	Very high	91.4	Very high	54 Å²	54	73.2 Å²	73.2	33%	0.331	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-79.3	157.8	173.7	79.6	0	0	0	0	110.1	E118 H119 Y120 F238	T116-E118 VanDerWaalsContact C-N 3.26Å; T116-E118 WeakPolarHBondContact CB-OE2 3.42Å; T116-E118 PolarHBondContact O-N 2.69Å; T116-E118 PolarHBondContact OG1-OE2 2.96Å; T116-H119 PolarHBondContact O-N 3.22Å; T116-H119 PolarHBondContact OG1-N 2.85Å; T116-Y120 VanDerWaalsContact O-CB 3.3Å; T116-Y120 WeakPolarHBondContact O-CB 3.2Å; T116-Y120 PolarHBondContact O-N 3.34Å; T116-F238 HydrophobicContact CG2-CE1 4.32Å; T116-F238 HydrophobicContact CG2-CZ 4.36Å
117	P	96.5	Very high	92.1	Very high	95 Å²	95	72.2 Å²	72.2	62%	0.617	36%	0.363	S	S	*	.	H	α-helix	trans	-54.7	-41.1	175.4	-26	36.1	0	0	0	113.1	Y120 Q121	P117-Y120 PolarHBondContact O-N 3.1Å; P117-Q121 PolarHBondContact O-N 3.33Å
118	E	97.2	Very high	92.9	Very high	119 Å²	119	74.6 Å²	74.6	56%	0.556	36%	0.359	S	S	*	.	H	α-helix	trans	-66.8	-47.5	-178	-52.7	67.7	-140.6	0	0	110.5	T116 Y120 Q121 Q122	T116-E118 VanDerWaalsContact C-N 3.26Å; T116-E118 WeakPolarHBondContact CB-OE2 3.42Å; T116-E118 PolarHBondContact O-N 2.69Å; T116-E118 PolarHBondContact OG1-OE2 2.96Å; E118-Y120 VanDerWaalsContact C-N 3.32Å; E118-Y120 PolarHBondContact O-N 3.45Å; E118-Q121 PolarHBondContact O-N 3.08Å; E118-Q122 WeakPolarHBondContact O-CG 3.43Å; E118-Q122 PolarHBondContact O-N 2.85Å; E118-Q122 VanDerWaalsContact O-N 3.07Å
119	H	97.5	Very high	93.9	Very high	37 Å²	37	70.8 Å²	70.8	17%	0.171	37%	0.365	C	S	.	.	H	α-helix	trans	-68.4	-34.9	178.2	-167.5	-178.4	0	0	0	111.2	I115 T116 Q121 Q122 V123 F238	I115-H119 HydrophobicContact CD1-CB 4.5Å; I115-H119 HydrophobicContact CG1-CB 4Å; T116-H119 PolarHBondContact O-N 3.22Å; T116-H119 PolarHBondContact OG1-N 2.85Å; H119-Q121 VanDerWaalsContact C-N 3.34Å; H119-Q122 PolarHBondContact O-N 2.77Å; H119-V123 WeakPolarHBondContact O-CB 3.46Å; H119-V123 VanDerWaalsContact O-CG2 3.27Å; H119-V123 WeakPolarHBondContact O-CG2 3.39Å; H119-V123 PolarHBondContact O-N 3.1Å; H119-F238 VanDerWaalsContact CE1-CB 3.43Å; H119-F238 WeakPolarHBondContact CE1-CB 3.34Å; H119-F238 AromaticContact CE1-CD2 3.45Å; H119-F238 VanDerWaalsContact CE1-CD2 3.45Å; H119-F238 WeakPolarHBondContact CE1-CD2 3.39Å; H119-F238 AromaticContact CE1-CG 3.57Å; H119-F238 AromaticContact ND1-CD1 3.86Å; H119-F238 AromaticContact ND1-CD2 3.23Å; H119-F238 WeakPolarHBondContact ND1-CD2 3.18Å; H119-F238 AromaticContact ND1-CE2 3.77Å; H119-F238 AromaticContact ND1-CG 3.26Å; H119-F238 VanDerWaalsContact ND1-CG 3.26Å; H119-F238 WeakPolarHBondContact ND1-CG 3.47Å
120	Y	98.3	Very high	94.8	Very high	39 Å²	39	72.1 Å²	72.1	15%	0.153	37%	0.369	C	S	.	.	H	α-helix	trans	-61.5	-43.7	173.4	179	-111.6	0	0	0	111.4	I115 T116 P117 E118 V123 M124 R142 L243	I115-Y120 HydrophobicContact CD1-CD2 4.36Å; I115-Y120 HydrophobicContact CG2-CD2 4.46Å; T116-Y120 VanDerWaalsContact O-CB 3.3Å; T116-Y120 WeakPolarHBondContact O-CB 3.2Å; T116-Y120 PolarHBondContact O-N 3.34Å; P117-Y120 PolarHBondContact O-N 3.1Å; E118-Y120 VanDerWaalsContact C-N 3.32Å; E118-Y120 PolarHBondContact O-N 3.45Å; Y120-V123 PolarHBondContact O-N 3.41Å; Y120-M124 HydrophobicContact CD1-CG 4.25Å; Y120-M124 HydrophobicContact CD2-CG 4.06Å; Y120-M124 HydrophobicContact CE1-CG 3.8Å; Y120-M124 HydrophobicContact CE2-CG 3.58Å; Y120-M124 HydrophobicContact CE2-SD 3.82Å; Y120-M124 HydrophobicContact CG-CG 4.37Å; Y120-M124 VanDerWaalsContact CZ-CG 3.42Å; Y120-M124 WeakPolarHBondContact O-CB 3.38Å; Y120-M124 VanDerWaalsContact O-CG 3.31Å; Y120-M124 WeakPolarHBondContact O-CG 3.35Å; Y120-M124 PolarHBondContact O-N 3.38Å; Y120-R142 HydrophobicContact CD2-CG 4.32Å; Y120-R142 HydrophobicContact CE1-CG 4.35Å; Y120-R142 HydrophobicContact CE2-CB 3.83Å; Y120-R142 HydrophobicContact CE2-CG 3.79Å; Y120-L243 HydrophobicContact CD2-CD2 3.75Å; Y120-L243 HydrophobicContact CE2-CD2 3.95Å
121	Q	98.3	Very high	95.8	Very high	123 Å²	123	72.5 Å²	72.5	58%	0.575	36%	0.362	S	S	*	.	H	α-helix	trans	-62.4	-45.4	178	-169.6	64.3	6.3	0	0	111.8	P117 E118 H119 V123 M124 E125	P117-Q121 PolarHBondContact O-N 3.33Å; E118-Q121 PolarHBondContact O-N 3.08Å; H119-Q121 VanDerWaalsContact C-N 3.34Å; Q121-V123 VanDerWaalsContact C-N 3.34Å; Q121-V123 PolarHBondContact O-N 3.23Å; Q121-M124 PolarHBondContact O-N 3.06Å; Q121-E125 PolarHBondContact O-N 2.93Å
122	Q	98.2	Very high	96.6	Very high	106 Å²	106	69.3 Å²	69.3	50%	0.495	35%	0.347	S	S	.	.	H	α-helix	trans	-60.2	-41.6	175.9	-69.4	172.8	1	0	0	112.6	E118 H119 K126	E118-Q122 WeakPolarHBondContact O-CG 3.43Å; E118-Q122 PolarHBondContact O-N 2.85Å; E118-Q122 VanDerWaalsContact O-N 3.07Å; H119-Q122 PolarHBondContact O-N 2.77Å; Q122-K126 WeakPolarHBondContact O-CG 2.98Å; Q122-K126 PolarHBondContact O-N 3.05Å
123	V	98.3	Very high	97	Very high	1 Å²	1	64 Å²	64	1%	0.006	33%	0.327	C	S	.	.	H	α-helix	trans	-64.5	-43.7	175.7	165.6	0	0	0	0	110.6	I115 H119 Y120 Q121 K126 A127 L138 V232 L234	I115-V123 HydrophobicContact CD1-CG2 4.3Å; H119-V123 WeakPolarHBondContact O-CB 3.46Å; H119-V123 VanDerWaalsContact O-CG2 3.27Å; H119-V123 WeakPolarHBondContact O-CG2 3.39Å; H119-V123 PolarHBondContact O-N 3.1Å; Y120-V123 PolarHBondContact O-N 3.41Å; Q121-V123 VanDerWaalsContact C-N 3.34Å; Q121-V123 PolarHBondContact O-N 3.23Å; V123-K126 PolarHBondContact O-N 3.35Å; V123-A127 VanDerWaalsContact O-CB 3.25Å; V123-A127 WeakPolarHBondContact O-CB 2.93Å; V123-A127 PolarHBondContact O-N 3.2Å; V123-L138 HydrophobicContact CG1-CD1 4.22Å; V123-V232 HydrophobicContact CG1-CG2 3.96Å; V123-L234 HydrophobicContact CG1-CD1 3.89Å; V123-L234 HydrophobicContact CG1-CD2 4.16Å; V123-L234 HydrophobicContact CG1-CG 3.82Å; V123-L234 HydrophobicContact CG2-CD2 3.89Å; V123-L234 HydrophobicContact CG2-CG 4.04Å
124	M	98.5	Very high	97.3	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-68.6	-35.2	-179	-74.4	-57.6	-62.9	0	0	112.6	Y120 Q121 R128 A135 L138 E139	Y120-M124 HydrophobicContact CD1-CG 4.25Å; Y120-M124 HydrophobicContact CD2-CG 4.06Å; Y120-M124 HydrophobicContact CE1-CG 3.8Å; Y120-M124 HydrophobicContact CE2-CG 3.58Å; Y120-M124 HydrophobicContact CE2-SD 3.82Å; Y120-M124 HydrophobicContact CG-CG 4.37Å; Y120-M124 VanDerWaalsContact CZ-CG 3.42Å; Y120-M124 WeakPolarHBondContact O-CB 3.38Å; Y120-M124 VanDerWaalsContact O-CG 3.31Å; Y120-M124 WeakPolarHBondContact O-CG 3.35Å; Y120-M124 PolarHBondContact O-N 3.38Å; Q121-M124 PolarHBondContact O-N 3.06Å; M124-R128 WeakPolarHBondContact O-CB 3.47Å; M124-R128 WeakPolarHBondContact O-CG 3.44Å; M124-R128 PolarHBondContact O-N 3.31Å; M124-A135 HydrophobicContact CE-CB 4.34Å; M124-A135 WeakPolarHBondContact CE-O 3.07Å; M124-L138 HydrophobicContact SD-CB 3.92Å; M124-E139 HydrophobicContact CE-CB 3.95Å; M124-E139 HydrophobicContact CE-CG 4.44Å
125	E	98.3	Very high	97.5	Very high	135 Å²	135	59.2 Å²	59.2	63%	0.631	31%	0.306	S	S	*	.	H	α-helix	trans	-61.6	-52.7	173.1	-174.8	180	-179	0	0	110.8	Q121 A127 R128 A129	Q121-E125 PolarHBondContact O-N 2.93Å; E125-A127 VanDerWaalsContact C-N 3.32Å; E125-A127 PolarHBondContact O-N 2.95Å; E125-R128 PolarHBondContact O-N 2.84Å; E125-A129 PolarHBondContact O-N 3.1Å; E125-A129 VanDerWaalsContact O-N 3.09Å
126	K	98.4	Very high	97.7	Very high	115 Å²	115	58.7 Å²	58.7	50%	0.5	30%	0.303	S	S	.	.	H	α-helix	trans	-60.3	-40.9	176.6	-69.9	175.5	-177.7	175.9	0	112.3	Q122 V123 A129 E130 V232	Q122-K126 WeakPolarHBondContact O-CG 2.98Å; Q122-K126 PolarHBondContact O-N 3.05Å; V123-K126 PolarHBondContact O-N 3.35Å; K126-A129 PolarHBondContact O-N 2.99Å; K126-E130 WeakPolarHBondContact O-CB 3.06Å; K126-E130 PolarHBondContact O-N 3.4Å; K126-V232 HydrophobicContact CB-CB 3.93Å; K126-V232 HydrophobicContact CB-CG1 4.07Å
127	A	98.3	Very high	97.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-41.7	178.5	0	0	0	0	0	112.1	V123 E125 A129 E130 D131 L134 A135 L138 V232	V123-A127 VanDerWaalsContact O-CB 3.25Å; V123-A127 WeakPolarHBondContact O-CB 2.93Å; V123-A127 PolarHBondContact O-N 3.2Å; E125-A127 VanDerWaalsContact C-N 3.32Å; E125-A127 PolarHBondContact O-N 2.95Å; A127-A129 VanDerWaalsContact C-N 3.31Å; A127-A129 PolarHBondContact O-N 3.47Å; A127-E130 PolarHBondContact O-N 2.91Å; A127-D131 CarbonylContact O-C 3.38Å; A127-D131 PolarHBondContact O-N 3.27Å; A127-L134 HydrophobicContact CB-CD2 4.11Å; A127-L134 HydrophobicContact CB-CG 4.29Å; A127-A135 HydrophobicContact CB-CB 4.09Å; A127-L138 HydrophobicContact CB-CD1 3.68Å; A127-V232 HydrophobicContact CB-CG1 4.24Å
128	R	97.8	Very high	97.9	Very high	129 Å²	129	51.6 Å²	51.6	49%	0.487	26%	0.258	S	S	.	.	H	α-helix	trans	-64.8	-36.2	177	-72.9	171.7	-157.8	-106.3	-1.4	112.1	M124 E125 A135 E139 K200	M124-R128 WeakPolarHBondContact O-CB 3.47Å; M124-R128 WeakPolarHBondContact O-CG 3.44Å; M124-R128 PolarHBondContact O-N 3.31Å; E125-R128 PolarHBondContact O-N 2.84Å; R128-A135 HydrophobicContact CG-CB 3.8Å; R128-E139 IonicContact NH2-OE1 2.69Å; R128-K200 VanDerWaalsContact NH1-NZ 3.15Å
129	A	97.2	Very high	98	Very high	92 Å²	92	47.7 Å²	47.7	76%	0.76	24%	0.24	S	C	*	.	H	α-helix	trans	-71.3	-32.1	175.6	0	0	0	0	0	112.8	E125 K126 A127	E125-A129 PolarHBondContact O-N 3.1Å; E125-A129 VanDerWaalsContact O-N 3.09Å; K126-A129 PolarHBondContact O-N 2.99Å; A127-A129 VanDerWaalsContact C-N 3.31Å; A127-A129 PolarHBondContact O-N 3.47Å
130	E	95.2	Very high	98	Very high	90 Å²	90	46 Å²	46	42%	0.421	23%	0.232	S	C	.	.	H	α-helix	trans	-82.4	-54.2	-178.3	-177.1	76.2	-178.7	0	0	113	K126 A127 K231	K126-E130 WeakPolarHBondContact O-CB 3.06Å; K126-E130 PolarHBondContact O-N 3.4Å; A127-E130 PolarHBondContact O-N 2.91Å; E130-K231 WeakPolarHBondContact OE1-CD 3.38Å; E130-K231 IonicContact OE1-NZ 3.91Å; E130-K231 PolarHBondContact OE1-NZ 2.95Å; E130-K231 IonicContact OE2-NZ 2.74Å; E130-K231 PolarHBondContact OE2-NZ 3.47Å
131	D	96.7	Very high	98	Very high	47 Å²	47	44.3 Å²	44.3	25%	0.251	23%	0.226	S	C	.	.			trans	-160.5	122.7	-173.1	-177.3	-81.5	0	0	0	111.2	A127 G133 L134 A135	A127-D131 CarbonylContact O-C 3.38Å; A127-D131 PolarHBondContact O-N 3.27Å; D131-G133 VanDerWaalsContact C-N 3.26Å; D131-G133 PolarHBondContact O-N 3.07Å; D131-G133 WeakPolarHBondContact OD1-CA 3.48Å; D131-G133 PolarHBondContact OD1-N 3.43Å; D131-L134 HydrophobicContact CB-CB 3.93Å; D131-L134 WeakPolarHBondContact O-CB 3.46Å; D131-L134 PolarHBondContact O-N 3.05Å; D131-L134 PolarHBondContact OD1-N 3.03Å; D131-A135 PolarHBondContact O-N 3.32Å
132	A	97.3	Very high	98	Very high	49 Å²	49	40.6 Å²	40.6	41%	0.405	21%	0.207	S	C	.	.	H	α-helix	trans	-63	-31.9	-178.4	0	0	0	0	0	113.1	A136 V204	A132-A136 WeakPolarHBondContact O-CB 3.4Å; A132-A136 PolarHBondContact O-N 3.32Å; A132-V204 HydrophobicContact CB-CG1 4.24Å; A132-V204 HydrophobicContact CB-CG2 4.22Å
133	G	98.1	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-71	-42.2	178	0	0	0	0	0	112.6	D131 A136 A137 L212	D131-G133 VanDerWaalsContact C-N 3.26Å; D131-G133 PolarHBondContact O-N 3.07Å; D131-G133 WeakPolarHBondContact OD1-CA 3.48Å; D131-G133 PolarHBondContact OD1-N 3.43Å; G133-A136 PolarHBondContact O-N 3.3Å; G133-A137 WeakPolarHBondContact O-CB 3.31Å; G133-A137 PolarHBondContact O-N 3.36Å; G133-L212 CarbonylContact C-O 3.59Å; G133-L212 VanDerWaalsContact CA-O 3.23Å; G133-L212 WeakPolarHBondContact CA-O 3.36Å
134	L	98.3	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.2	-49.8	170.4	177.4	67.9	0	0	0	110.9	A127 D131 A136 A137 L138 I213 W225 Q228 V229 V232	A127-L134 HydrophobicContact CB-CD2 4.11Å; A127-L134 HydrophobicContact CB-CG 4.29Å; D131-L134 HydrophobicContact CB-CB 3.93Å; D131-L134 WeakPolarHBondContact O-CB 3.46Å; D131-L134 PolarHBondContact O-N 3.05Å; D131-L134 PolarHBondContact OD1-N 3.03Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 3.38Å; L134-A137 PolarHBondContact O-N 3.42Å; L134-L138 HydrophobicContact CD1-CD1 4.07Å; L134-L138 HydrophobicContact CD1-CG 4.26Å; L134-L138 HydrophobicContact CG-CD1 3.88Å; L134-L138 HydrophobicContact CG-CG 4.45Å; L134-L138 WeakPolarHBondContact O-CB 3.48Å; L134-L138 VanDerWaalsContact O-CG 3.29Å; L134-L138 WeakPolarHBondContact O-CG 3.33Å; L134-L138 PolarHBondContact O-N 2.76Å; L134-I213 HydrophobicContact CB-CD1 4.35Å; L134-I213 HydrophobicContact CD1-CD1 4.43Å; L134-W225 HydrophobicContact CD1-CE3 3.94Å; L134-W225 HydrophobicContact CD1-CZ3 3.97Å; L134-Q228 HydrophobicContact CD1-CB 4.02Å; L134-Q228 HydrophobicContact CD2-CB 3.79Å; L134-Q228 HydrophobicContact CG-CB 4.49Å; L134-V229 HydrophobicContact CD1-CG1 3.97Å; L134-V232 HydrophobicContact CD2-CG1 3.9Å
135	A	98.5	Very high	98	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-58.5	-46.6	178.9	0	0	0	0	0	111.4	M124 A127 R128 D131 L138 E139	M124-A135 HydrophobicContact CE-CB 4.34Å; M124-A135 WeakPolarHBondContact CE-O 3.07Å; A127-A135 HydrophobicContact CB-CB 4.09Å; R128-A135 HydrophobicContact CG-CB 3.8Å; D131-A135 PolarHBondContact O-N 3.32Å; A135-L138 PolarHBondContact O-N 3.03Å; A135-E139 WeakPolarHBondContact O-CB 3.32Å; A135-E139 PolarHBondContact O-N 3.05Å
136	A	98.5	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-44.1	177.1	0	0	0	0	0	112.4	A132 G133 L134 L138 E139 I140 A201 L212	A132-A136 WeakPolarHBondContact O-CB 3.4Å; A132-A136 PolarHBondContact O-N 3.32Å; G133-A136 PolarHBondContact O-N 3.3Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 3.38Å; A136-L138 PolarHBondContact O-N 3.49Å; A136-E139 PolarHBondContact O-N 2.92Å; A136-I140 WeakPolarHBondContact O-CG1 3.19Å; A136-I140 PolarHBondContact O-N 2.84Å; A136-A201 HydrophobicContact CB-CB 3.99Å; A136-L212 HydrophobicContact CB-CD1 4.37Å; A136-L212 HydrophobicContact CB-CD2 4Å
137	A	98.6	Very high	97.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66	-37.2	178.8	0	0	0	0	0	112.4	G133 L134 A141 L212 W225	G133-A137 WeakPolarHBondContact O-CB 3.31Å; G133-A137 PolarHBondContact O-N 3.36Å; L134-A137 PolarHBondContact O-N 3.42Å; A137-A141 WeakPolarHBondContact O-CB 3.21Å; A137-A141 PolarHBondContact O-N 2.98Å; A137-L212 HydrophobicContact CB-CB 4.15Å; A137-L212 HydrophobicContact CB-CD1 3.85Å; A137-W225 HydrophobicContact CB-CE3 4.46Å; A137-W225 HydrophobicContact CB-CH2 4.35Å; A137-W225 HydrophobicContact CB-CZ3 3.62Å
138	L	98.7	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-42.4	174	-73.6	170	0	0	0	112.3	V123 M124 A127 L134 A135 A136 A141 R142 W225 V229 V232 L234 L243	V123-L138 HydrophobicContact CG1-CD1 4.22Å; M124-L138 HydrophobicContact SD-CB 3.92Å; A127-L138 HydrophobicContact CB-CD1 3.68Å; L134-L138 HydrophobicContact CD1-CD1 4.07Å; L134-L138 HydrophobicContact CD1-CG 4.26Å; L134-L138 HydrophobicContact CG-CD1 3.88Å; L134-L138 HydrophobicContact CG-CG 4.45Å; L134-L138 WeakPolarHBondContact O-CB 3.48Å; L134-L138 VanDerWaalsContact O-CG 3.29Å; L134-L138 WeakPolarHBondContact O-CG 3.33Å; L134-L138 PolarHBondContact O-N 2.76Å; A135-L138 PolarHBondContact O-N 3.03Å; A136-L138 PolarHBondContact O-N 3.49Å; L138-A141 PolarHBondContact O-N 3.04Å; L138-R142 WeakPolarHBondContact O-CB 3.41Å; L138-R142 PolarHBondContact O-N 2.65Å; L138-W225 HydrophobicContact CD2-CH2 3.61Å; L138-W225 HydrophobicContact CD2-CZ2 4.17Å; L138-W225 HydrophobicContact CD2-CZ3 4.25Å; L138-W225 HydrophobicContact CG-CH2 4.02Å; L138-W225 HydrophobicContact CG-CZ3 4.24Å; L138-V229 HydrophobicContact CD2-CG1 4.15Å; L138-V232 HydrophobicContact CD1-CG2 4.41Å; L138-L234 HydrophobicContact CD2-CD1 3.49Å; L138-L234 VanDerWaalsContact CD2-CD1 3.49Å; L138-L243 HydrophobicContact CD2-CD1 3.65Å
139	E	98.6	Very high	97.9	Very high	37 Å²	37	26.4 Å²	26.4	17%	0.173	15%	0.151	C	C	.	.	H	α-helix	trans	-59.9	-51.5	177.9	-167.3	162	-148.4	0	0	110.9	M124 R128 A135 A136 A141 R142 L143 A197 K200	M124-E139 HydrophobicContact CE-CB 3.95Å; M124-E139 HydrophobicContact CE-CG 4.44Å; R128-E139 IonicContact NH2-OE1 2.69Å; A135-E139 WeakPolarHBondContact O-CB 3.32Å; A135-E139 PolarHBondContact O-N 3.05Å; A136-E139 PolarHBondContact O-N 2.92Å; E139-A141 VanDerWaalsContact C-N 3.35Å; E139-A141 PolarHBondContact O-N 3.49Å; E139-R142 PolarHBondContact O-N 3.26Å; E139-L143 HydrophobicContact CG-CD1 4.26Å; E139-L143 WeakPolarHBondContact O-CG 3.41Å; E139-L143 PolarHBondContact O-N 3.38Å; E139-A197 HydrophobicContact CG-CB 3.98Å; E139-K200 IonicContact OE2-NZ 2.78Å; E139-K200 PolarHBondContact OE2-NZ 3.22Å
140	I	98.4	Very high	97.9	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-62.9	-41.8	176	-63	171	0	0	0	110.9	A136 R142 L143 M144 L146 L158 W161 A197 L198 A201 L212	A136-I140 WeakPolarHBondContact O-CG1 3.19Å; A136-I140 PolarHBondContact O-N 2.84Å; I140-R142 VanDerWaalsContact C-N 3.28Å; I140-R142 PolarHBondContact O-N 3.34Å; I140-L143 PolarHBondContact O-N 3.42Å; I140-M144 HydrophobicContact CG2-CG 4.31Å; I140-M144 HydrophobicContact CG2-SD 3.59Å; I140-M144 VanDerWaalsContact CG2-SD 3.59Å; I140-M144 WeakPolarHBondContact O-CB 3.46Å; I140-M144 PolarHBondContact O-N 2.97Å; I140-L146 HydrophobicContact CG2-CD1 3.72Å; I140-L158 HydrophobicContact CD1-CD2 3.65Å; I140-W161 HydrophobicContact CG2-CZ3 4.19Å; I140-A197 HydrophobicContact CG1-CB 4.33Å; I140-L198 HydrophobicContact CD1-CD2 3.87Å; I140-L198 HydrophobicContact CG1-CD2 4.18Å; I140-L198 HydrophobicContact CG2-CD2 4.36Å; I140-A201 HydrophobicContact CD1-CB 3.36Å; I140-A201 HydrophobicContact CG1-CB 4.42Å; I140-L212 HydrophobicContact CD1-CD1 4.3Å
141	A	98.5	Very high	98.1	Very high	3 Å²	3	17.8 Å²	17.8	3%	0.025	10%	0.095	C	C	.	.	H	α-helix	trans	-61.1	-36.7	179.5	0	0	0	0	0	113.1	A137 L138 E139 G145 L146 A151 L243	A137-A141 WeakPolarHBondContact O-CB 3.21Å; A137-A141 PolarHBondContact O-N 2.98Å; L138-A141 PolarHBondContact O-N 3.04Å; E139-A141 VanDerWaalsContact C-N 3.35Å; E139-A141 PolarHBondContact O-N 3.49Å; A141-G145 WeakPolarHBondContact O-CA 3.41Å; A141-G145 PolarHBondContact O-N 3Å; A141-G145 VanDerWaalsContact O-N 3.12Å; A141-L146 HydrophobicContact CB-CB 4.15Å; A141-L146 PolarHBondContact O-N 3.22Å; A141-A151 HydrophobicContact CB-CB 3.87Å; A141-L243 HydrophobicContact CB-CD1 4.15Å
142	R	98.5	Very high	98.1	Very high	44 Å²	44	16 Å²	16	17%	0.166	9%	0.086	C	C	.	.	H	α-helix	trans	-71.7	-39.9	176.1	175.5	58.4	-174.4	89.9	-2.6	112.7	Y120 L138 E139 I140 L243 A246 D250	Y120-R142 HydrophobicContact CD2-CG 4.32Å; Y120-R142 HydrophobicContact CE1-CG 4.35Å; Y120-R142 HydrophobicContact CE2-CB 3.83Å; Y120-R142 HydrophobicContact CE2-CG 3.79Å; L138-R142 WeakPolarHBondContact O-CB 3.41Å; L138-R142 PolarHBondContact O-N 2.65Å; E139-R142 PolarHBondContact O-N 3.26Å; I140-R142 VanDerWaalsContact C-N 3.28Å; I140-R142 PolarHBondContact O-N 3.34Å; R142-L243 HydrophobicContact CB-CB 4.34Å; R142-L243 HydrophobicContact CB-CD2 4.29Å; R142-A246 VanDerWaalsContact CZ-CB 3.5Å; R142-D250 IonicContact CZ-OD2 2.71Å; R142-D250 IonicContact NH1-OD2 3.35Å; R142-D250 PolarHBondContact NH1-OD2 3.21Å; R142-D250 IonicContact NH2-OD1 2.92Å; R142-D250 IonicContact NH2-OD2 3.68Å; R142-D250 PolarHBondContact NH2-OD2 3.16Å
143	L	98.3	Very high	98.2	Very high	42 Å²	42	15.5 Å²	15.5	22%	0.22	8%	0.075	C	C	.	.	H	α-helix	trans	-80.1	-27.7	-176.1	-69.2	171.9	0	0	0	113.6	E139 I140 A193 V194 A197 W247	E139-L143 HydrophobicContact CG-CD1 4.26Å; E139-L143 WeakPolarHBondContact O-CG 3.41Å; E139-L143 PolarHBondContact O-N 3.38Å; I140-L143 PolarHBondContact O-N 3.42Å; L143-A193 HydrophobicContact CD1-CB 4.38Å; L143-A193 HydrophobicContact CD2-CB 4.11Å; L143-V194 HydrophobicContact CB-CG2 3.94Å; L143-A197 HydrophobicContact CD1-CB 3.56Å; L143-W247 VanDerWaalsContact C-CD1 3.46Å; L143-W247 PolarHBondContact O-NE1 2.95Å
144	M	98.3	Very high	98.2	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.01	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	6.7	-176.6	-64.3	-180	62.9	0	0	113.4	I140 L146 W161 L172 T186 V194 L198	I140-M144 HydrophobicContact CG2-CG 4.31Å; I140-M144 HydrophobicContact CG2-SD 3.59Å; I140-M144 VanDerWaalsContact CG2-SD 3.59Å; I140-M144 WeakPolarHBondContact O-CB 3.46Å; I140-M144 PolarHBondContact O-N 2.97Å; M144-L146 HydrophobicContact CB-CD2 3.88Å; M144-L146 HydrophobicContact CB-CG 3.95Å; M144-L146 PolarHBondContact O-N 2.77Å; M144-W161 HydrophobicContact CE-CD2 3.97Å; M144-W161 HydrophobicContact CE-CE3 4.02Å; M144-W161 HydrophobicContact CE-CH2 4.09Å; M144-W161 HydrophobicContact CE-CZ2 4.06Å; M144-W161 HydrophobicContact CE-CZ3 4.07Å; M144-W161 HydrophobicContact SD-CE3 4.11Å; M144-W161 HydrophobicContact SD-CZ3 4.08Å; M144-L172 HydrophobicContact CE-CB 3.92Å; M144-L172 HydrophobicContact CE-CD1 3.63Å; M144-L172 HydrophobicContact CE-CG 4.43Å; M144-L172 HydrophobicContact SD-CD1 4.2Å; M144-T186 HydrophobicContact CB-CG2 4.12Å; M144-T186 HydrophobicContact CE-CG2 3.72Å; M144-T186 PolarHBondContact O-OG1 3.28Å; M144-V194 HydrophobicContact CG-CG1 4.41Å; M144-V194 HydrophobicContact CG-CG2 4.46Å; M144-V194 HydrophobicContact SD-CG1 4.37Å; M144-L198 HydrophobicContact SD-CD2 4.35Å
145	G	97.8	Very high	98.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	56.8	-177.7	0	0	0	0	0	111.5	A141 R184 R244 W247	A141-G145 WeakPolarHBondContact O-CA 3.41Å; A141-G145 PolarHBondContact O-N 3Å; A141-G145 VanDerWaalsContact O-N 3.12Å; G145-R184 PolarHBondContact O-NH2 3.15Å; G145-R244 VanDerWaalsContact O-CZ 3.28Å; G145-R244 PolarHBondContact O-NH1 3.35Å; G145-W247 VanDerWaalsContact N-CD1 3.34Å; G145-W247 VanDerWaalsContact N-CG 3.31Å
146	L	98.1	Very high	98.1	Very high	4 Å²	4	21 Å²	21	2%	0.021	11%	0.105	C	C	.	.			trans	-86.6	154.6	-178.8	-57.1	-173.5	0	0	0	112.3	I140 A141 M144 E150 A151 W161 V174 R244	I140-L146 HydrophobicContact CG2-CD1 3.72Å; A141-L146 HydrophobicContact CB-CB 4.15Å; A141-L146 PolarHBondContact O-N 3.22Å; M144-L146 HydrophobicContact CB-CD2 3.88Å; M144-L146 HydrophobicContact CB-CG 3.95Å; M144-L146 PolarHBondContact O-N 2.77Å; L146-E150 WeakPolarHBondContact CA-OE2 3.48Å; L146-E150 HydrophobicContact CB-CB 3.97Å; L146-E150 HydrophobicContact CD2-CB 4.31Å; L146-A151 HydrophobicContact CB-CB 4.36Å; L146-W161 HydrophobicContact CD1-CH2 4.34Å; L146-V174 HydrophobicContact CD2-CG2 4.01Å; L146-R244 VanDerWaalsContact C-NH1 3.26Å
147	R	96.7	Very high	98.1	Very high	38 Å²	38	21.3 Å²	21.3	14%	0.143	11%	0.108	C	C	.	.			trans	-78.9	161.3	163.4	-63.3	-179.4	173.7	77.4	5.1	109.2	Q149 E150 A151 L273	R147-Q149 VanDerWaalsContact C-N 3.3Å; R147-Q149 PolarHBondContact O-N 3.16Å; R147-E150 HydrophobicContact CB-CB 4.37Å; R147-E150 HydrophobicContact CB-CG 4.04Å; R147-E150 IonicContact CZ-OE1 3.57Å; R147-E150 PolarHBondContact N-OE2 3.13Å; R147-E150 IonicContact NH1-OE1 2.84Å; R147-E150 PolarHBondContact NH1-OE1 3.22Å; R147-E150 WeakPolarHBondContact O-CB 3.22Å; R147-E150 PolarHBondContact O-N 3.43Å; R147-A151 PolarHBondContact O-N 3.37Å; R147-L273 PolarHBondContact NH1-O 3.29Å; R147-L273 PolarHBondContact NH2-O 3.25Å
148	S	97.2	Very high	98.1	Very high	30 Å²	30	21.4 Å²	21.4	21%	0.21	11%	0.108	C	C	.	.	H	α-helix	trans	-49.3	-48.5	176.3	-57.6	0	0	0	0	113.1	A151 V152 W225	S148-A151 WeakPolarHBondContact O-CB 3.38Å; S148-A151 PolarHBondContact O-N 3.27Å; S148-V152 WeakPolarHBondContact O-CG2 3.38Å; S148-V152 PolarHBondContact O-N 3.39Å; S148-W225 PolarHBondContact OG-NE1 3.17Å
149	Q	97.6	Very high	98.1	Very high	74 Å²	74	27.7 Å²	27.7	35%	0.346	14%	0.135	S	C	.	.	H	α-helix	trans	-69.4	-36.2	-180	-167.3	-180	-30.7	0	0	112.9	R147 A151 V152 Q153 L218 L222	R147-Q149 VanDerWaalsContact C-N 3.3Å; R147-Q149 PolarHBondContact O-N 3.16Å; Q149-A151 VanDerWaalsContact C-N 3.29Å; Q149-A151 PolarHBondContact O-N 3.14Å; Q149-V152 PolarHBondContact O-N 3.37Å; Q149-Q153 WeakPolarHBondContact O-CB 3.28Å; Q149-Q153 WeakPolarHBondContact O-CG 3.43Å; Q149-Q153 PolarHBondContact O-N 2.87Å; Q149-L218 HydrophobicContact CG-CD1 4.34Å; Q149-L222 HydrophobicContact CB-CD2 4.1Å; Q149-L222 HydrophobicContact CG-CD1 4.27Å; Q149-L222 HydrophobicContact CG-CD2 4.33Å
150	E	98.4	Very high	98	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-38	173.4	-62.6	167	176.5	0	0	110.4	L146 R147 S154 V174 G177 T178 R184 R244	L146-E150 WeakPolarHBondContact CA-OE2 3.48Å; L146-E150 HydrophobicContact CB-CB 3.97Å; L146-E150 HydrophobicContact CD2-CB 4.31Å; R147-E150 HydrophobicContact CB-CB 4.37Å; R147-E150 HydrophobicContact CB-CG 4.04Å; R147-E150 IonicContact CZ-OE1 3.57Å; R147-E150 PolarHBondContact N-OE2 3.13Å; R147-E150 IonicContact NH1-OE1 2.84Å; R147-E150 PolarHBondContact NH1-OE1 3.22Å; R147-E150 WeakPolarHBondContact O-CB 3.22Å; R147-E150 PolarHBondContact O-N 3.43Å; E150-S154 WeakPolarHBondContact O-CA 3.31Å; E150-S154 WeakPolarHBondContact O-CB 3.36Å; E150-S154 PolarHBondContact O-N 2.88Å; E150-V174 HydrophobicContact CB-CG1 4.23Å; E150-V174 HydrophobicContact CG-CG1 4.01Å; E150-G177 WeakPolarHBondContact CG-O 3.33Å; E150-T178 HydrophobicContact CG-CG2 4.4Å; E150-R184 IonicContact OE1-CZ 3.53Å; E150-R184 IonicContact OE1-NE 3.19Å; E150-R184 PolarHBondContact OE1-NE 3.4Å; E150-R184 VanDerWaalsContact OE1-NE 3.08Å; E150-R184 IonicContact OE1-NH2 3.18Å; E150-R184 IonicContact OE2-CZ 3.69Å; E150-R184 IonicContact OE2-NE 2.86Å; E150-R184 PolarHBondContact OE2-NE 3.08Å; E150-R184 IonicContact OE2-NH2 2.69Å; E150-R184 PolarHBondContact OE2-NH2 3.09Å; E150-R244 IonicContact OE2-NH1 3.66Å
151	A	98.4	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.2	-47.4	176.4	0	0	0	0	0	112.1	A141 L146 R147 S148 Q149 Q153 S154 W225	A141-A151 HydrophobicContact CB-CB 3.87Å; L146-A151 HydrophobicContact CB-CB 4.36Å; R147-A151 PolarHBondContact O-N 3.37Å; S148-A151 WeakPolarHBondContact O-CB 3.38Å; S148-A151 PolarHBondContact O-N 3.27Å; Q149-A151 VanDerWaalsContact C-N 3.29Å; Q149-A151 PolarHBondContact O-N 3.14Å; A151-Q153 VanDerWaalsContact C-N 3.27Å; A151-Q153 PolarHBondContact O-N 3.46Å; A151-S154 VanDerWaalsContact O-CB 3.28Å; A151-S154 WeakPolarHBondContact O-CB 3.37Å; A151-S154 PolarHBondContact O-N 3.19Å; A151-S154 VanDerWaalsContact O-N 3.16Å; A151-S154 PolarHBondContact O-OG 3.49Å; A151-W225 HydrophobicContact CB-CH2 3.97Å; A151-W225 HydrophobicContact CB-CZ2 4.21Å; A151-W225 HydrophobicContact CB-CZ3 4.5Å
152	V	98.2	Very high	98	Very high	10 Å²	10	30.9 Å²	30.9	6%	0.061	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-37.3	176.7	171.8	0	0	0	0	111.6	S148 Q149 I213 L218 A221 L222 W225	S148-V152 WeakPolarHBondContact O-CG2 3.38Å; S148-V152 PolarHBondContact O-N 3.39Å; Q149-V152 PolarHBondContact O-N 3.37Å; V152-I213 HydrophobicContact CG2-CG1 4.3Å; V152-L218 HydrophobicContact CG1-CD1 4.15Å; V152-A221 HydrophobicContact CG1-CB 3.62Å; V152-L222 HydrophobicContact CB-CD2 4.38Å; V152-L222 HydrophobicContact CG2-CD2 4.04Å; V152-W225 HydrophobicContact CG2-CB 3.65Å; V152-W225 HydrophobicContact CG2-CD2 3.85Å; V152-W225 HydrophobicContact CG2-CE3 4.08Å; V152-W225 HydrophobicContact CG2-CG 3.69Å
153	Q	98	Very high	98	Very high	38 Å²	38	35 Å²	35	18%	0.178	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	4.1	179.5	-63.3	-168.8	-55.6	0	0	114	Q149 A151 S155 L156 F176 L218	Q149-Q153 WeakPolarHBondContact O-CB 3.28Å; Q149-Q153 WeakPolarHBondContact O-CG 3.43Å; Q149-Q153 PolarHBondContact O-N 2.87Å; A151-Q153 VanDerWaalsContact C-N 3.27Å; A151-Q153 PolarHBondContact O-N 3.46Å; Q153-S155 PolarHBondContact O-N 3.45Å; Q153-L156 HydrophobicContact CB-CD1 4.23Å; Q153-L156 WeakPolarHBondContact O-CB 3.22Å; Q153-L156 WeakPolarHBondContact O-CG 3.37Å; Q153-L156 PolarHBondContact O-N 3.01Å; Q153-L156 VanDerWaalsContact O-N 3.17Å; Q153-F176 HydrophobicContact CB-CB 3.92Å; Q153-L218 HydrophobicContact CG-CD1 3.69Å
154	S	98.1	Very high	98	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-62.4	-28.6	-174.8	61.3	0	0	0	0	113.3	E150 A151 L156 S157 L158 L212	E150-S154 WeakPolarHBondContact O-CA 3.31Å; E150-S154 WeakPolarHBondContact O-CB 3.36Å; E150-S154 PolarHBondContact O-N 2.88Å; A151-S154 VanDerWaalsContact O-CB 3.28Å; A151-S154 WeakPolarHBondContact O-CB 3.37Å; A151-S154 PolarHBondContact O-N 3.19Å; A151-S154 VanDerWaalsContact O-N 3.16Å; A151-S154 PolarHBondContact O-OG 3.49Å; S154-L156 PolarHBondContact O-N 3.13Å; S154-L156 VanDerWaalsContact O-N 3.1Å; S154-S157 PolarHBondContact O-N 3.31Å; S154-L158 PolarHBondContact O-N 3.04Å; S154-L212 WeakPolarHBondContact OG-CD1 3.46Å
155	S	97.8	Very high	98	Very high	19 Å²	19	33.8 Å²	33.8	13%	0.133	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-55.6	-29.8	177.2	69.7	0	0	0	0	113	Q153 S157 G210	Q153-S155 PolarHBondContact O-N 3.45Å; S155-S157 PolarHBondContact O-N 2.67Å; S155-G210 WeakPolarHBondContact CB-O 3.24Å; S155-G210 PolarHBondContact OG-O 2.89Å
156	L	97.6	Very high	98	Very high	96 Å²	96	39.7 Å²	39.7	50%	0.503	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-69.3	-12.1	178.7	-56.9	178.3	0	0	0	113.8	Q153 S154 F176	Q153-L156 HydrophobicContact CB-CD1 4.23Å; Q153-L156 WeakPolarHBondContact O-CB 3.22Å; Q153-L156 WeakPolarHBondContact O-CG 3.37Å; Q153-L156 PolarHBondContact O-N 3.01Å; Q153-L156 VanDerWaalsContact O-N 3.17Å; S154-L156 PolarHBondContact O-N 3.13Å; S154-L156 VanDerWaalsContact O-N 3.1Å; L156-F176 HydrophobicContact CB-CD2 3.58Å; L156-F176 HydrophobicContact CB-CE2 3.72Å; L156-F176 HydrophobicContact CB-CG 4.38Å; L156-F176 HydrophobicContact CD1-CB 4.38Å; L156-F176 HydrophobicContact CD1-CD1 4.25Å; L156-F176 HydrophobicContact CD1-CD2 3.97Å; L156-F176 HydrophobicContact CD1-CE2 4.33Å; L156-F176 HydrophobicContact CD1-CG 3.94Å; L156-F176 HydrophobicContact CG-CD2 4.44Å
157	S	98.2	Very high	98	Very high	7 Å²	7	47.8 Å²	47.8	5%	0.049	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-126.1	-1.3	-175.2	-62.9	0	0	0	0	114.3	S154 S155 K159 T160 W161 F176	S154-S157 PolarHBondContact O-N 3.31Å; S155-S157 PolarHBondContact O-N 2.67Å; S157-K159 PolarHBondContact O-N 2.89Å; S157-T160 PolarHBondContact O-N 3.37Å; S157-T160 VanDerWaalsContact O-N 3.1Å; S157-W161 VanDerWaalsContact CB-CE2 3.44Å; S157-W161 PolarHBondContact O-N 3.26Å; S157-F176 WeakPolarHBondContact OG-CD2 3.32Å
158	L	98.5	Very high	98	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-53.7	-50.9	-175.9	-61.4	176	0	0	0	112.6	I140 S154 T160 W161 L162 L198 A201 L202 A205	I140-L158 HydrophobicContact CD1-CD2 3.65Å; S154-L158 PolarHBondContact O-N 3.04Å; L158-T160 VanDerWaalsContact C-N 3.32Å; L158-T160 PolarHBondContact O-N 2.66Å; L158-W161 HydrophobicContact CD2-CE3 4.25Å; L158-W161 HydrophobicContact CD2-CZ3 4.31Å; L158-W161 PolarHBondContact O-N 3.47Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 2.81Å; L158-L198 HydrophobicContact CD2-CD2 3.66Å; L158-A201 HydrophobicContact CD1-CB 3.94Å; L158-A201 HydrophobicContact CD2-CB 4.03Å; L158-L202 HydrophobicContact CB-CD1 4.29Å; L158-L202 HydrophobicContact CD1-CB 4.31Å; L158-L202 HydrophobicContact CD1-CD1 4.45Å; L158-A205 HydrophobicContact CD1-CB 4.21Å
159	K	98.1	Very high	98	Very high	133 Å²	133	51.3 Å²	51.3	58%	0.578	26%	0.26	S	S	*	.	H	α-helix	trans	-61	-40.4	179.7	-63.6	-177.2	-178.3	180	0	112	S157 K163 L202	S157-K159 PolarHBondContact O-N 2.89Å; K159-K163 WeakPolarHBondContact O-CG 3.35Å; K159-K163 PolarHBondContact O-N 3.1Å; K159-K163 VanDerWaalsContact O-N 3.1Å; K159-L202 HydrophobicContact CD-CD1 4.47Å; K159-L202 HydrophobicContact CG-CD1 3.84Å; K159-L202 HydrophobicContact CG-CD2 4.33Å
160	T	98.4	Very high	97.9	Very high	90 Å²	90	52.1 Å²	52.1	55%	0.552	27%	0.266	S	S	*	.	H	α-helix	trans	-68.3	-40.3	178.4	-56.2	0	0	0	0	111.6	S157 L158 A164	S157-T160 PolarHBondContact O-N 3.37Å; S157-T160 VanDerWaalsContact O-N 3.1Å; L158-T160 VanDerWaalsContact C-N 3.32Å; L158-T160 PolarHBondContact O-N 2.66Å; T160-A164 PolarHBondContact O-N 2.87Å
161	W	98.6	Very high	97.8	Very high	5 Å²	5	57 Å²	57	2%	0.019	29%	0.285	C	S	.	.	H	α-helix	trans	-67.7	-39.8	177.2	-66.8	-21.5	0	0	0	112.3	I140 M144 L146 S157 L158 A164 I165 L172 K173 V174 L198	I140-W161 HydrophobicContact CG2-CZ3 4.19Å; M144-W161 HydrophobicContact CE-CD2 3.97Å; M144-W161 HydrophobicContact CE-CE3 4.02Å; M144-W161 HydrophobicContact CE-CH2 4.09Å; M144-W161 HydrophobicContact CE-CZ2 4.06Å; M144-W161 HydrophobicContact CE-CZ3 4.07Å; M144-W161 HydrophobicContact SD-CE3 4.11Å; M144-W161 HydrophobicContact SD-CZ3 4.08Å; L146-W161 HydrophobicContact CD1-CH2 4.34Å; S157-W161 VanDerWaalsContact CB-CE2 3.44Å; S157-W161 PolarHBondContact O-N 3.26Å; L158-W161 HydrophobicContact CD2-CE3 4.25Å; L158-W161 HydrophobicContact CD2-CZ3 4.31Å; L158-W161 PolarHBondContact O-N 3.47Å; W161-A164 PolarHBondContact O-N 2.92Å; W161-I165 WeakPolarHBondContact O-CG1 3.35Å; W161-I165 PolarHBondContact O-N 2.92Å; W161-L172 HydrophobicContact CB-CD1 4.07Å; W161-L172 HydrophobicContact CB-CD2 4.35Å; W161-L172 HydrophobicContact CG-CB 4.42Å; W161-L172 HydrophobicContact CG-CD1 4.2Å; W161-K173 PolarHBondContact NE1-O 2.75Å; W161-V174 HydrophobicContact CZ2-CG2 4.12Å; W161-L198 HydrophobicContact CB-CD1 3.67Å; W161-L198 HydrophobicContact CE3-CD2 3.61Å; W161-L198 HydrophobicContact CZ3-CD2 4.21Å
162	L	98.4	Very high	97.8	Very high	14 Å²	14	57 Å²	57	7%	0.073	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-48.2	173.7	-74.8	168.5	0	0	0	111.7	L158 A164 I165 E166 R195 L198 E199 L202	L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 2.81Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 2.84Å; L162-I165 PolarHBondContact O-N 2.9Å; L162-I165 VanDerWaalsContact O-N 3.11Å; L162-E166 WeakPolarHBondContact O-CG 3.07Å; L162-E166 PolarHBondContact O-N 2.85Å; L162-R195 HydrophobicContact CD2-CG 4.33Å; L162-L198 HydrophobicContact CD1-CB 4.47Å; L162-L198 HydrophobicContact CD2-CB 3.66Å; L162-L198 HydrophobicContact CD2-CD1 4.3Å; L162-L198 HydrophobicContact CG-CB 3.93Å; L162-L198 HydrophobicContact CG-CD1 4.41Å; L162-E199 HydrophobicContact CD1-CG 4.4Å; L162-E199 HydrophobicContact CD2-CG 3.77Å; L162-L202 HydrophobicContact CD1-CD2 3.93Å
163	K	98.5	Very high	97.8	Very high	129 Å²	129	61.8 Å²	61.8	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-58.5	-37.6	175.3	-73.5	-179.2	178.8	-173.3	0	112.9	K159 E166 R167	K159-K163 WeakPolarHBondContact O-CG 3.35Å; K159-K163 PolarHBondContact O-N 3.1Å; K159-K163 VanDerWaalsContact O-N 3.1Å; K163-E166 PolarHBondContact O-N 3.42Å; K163-R167 WeakPolarHBondContact O-CG 3.26Å; K163-R167 PolarHBondContact O-N 3.09Å; K163-R167 VanDerWaalsContact O-N 3.15Å
164	A	98.3	Very high	97.8	Very high	6 Å²	6	60 Å²	60	5%	0.05	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-43.8	176.4	0	0	0	0	0	111.4	T160 W161 L162 E166 R167 G168 E169 L172	T160-A164 PolarHBondContact O-N 2.87Å; W161-A164 PolarHBondContact O-N 2.92Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 2.84Å; A164-E166 VanDerWaalsContact C-N 3.35Å; A164-E166 PolarHBondContact O-N 3.29Å; A164-R167 PolarHBondContact O-N 2.94Å; A164-G168 PolarHBondContact O-N 3.15Å; A164-E169 HydrophobicContact CB-CB 4.2Å; A164-E169 HydrophobicContact CB-CG 4.47Å; A164-E169 VanDerWaalsContact O-CB 3.25Å; A164-E169 WeakPolarHBondContact O-CB 3.29Å; A164-E169 PolarHBondContact O-N 3.16Å; A164-L172 HydrophobicContact CB-CD2 3.67Å
165	I	98	Very high	97.8	Very high	13 Å²	13	62.5 Å²	62.5	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-42.1	175.1	-67.7	173.3	0	0	0	111.3	W161 L162 R167 G168 L172 T191 V194 R195 L198	W161-I165 WeakPolarHBondContact O-CG1 3.35Å; W161-I165 PolarHBondContact O-N 2.92Å; L162-I165 PolarHBondContact O-N 2.9Å; L162-I165 VanDerWaalsContact O-N 3.11Å; I165-R167 PolarHBondContact O-N 3.49Å; I165-G168 WeakPolarHBondContact O-CA 3.28Å; I165-G168 PolarHBondContact O-N 3.35Å; I165-L172 HydrophobicContact CD1-CD1 4.34Å; I165-L172 HydrophobicContact CG1-CD1 4.5Å; I165-L172 HydrophobicContact CG1-CD2 4.13Å; I165-T191 HydrophobicContact CG2-CG2 3.69Å; I165-V194 HydrophobicContact CD1-CG1 3.83Å; I165-R195 HydrophobicContact CD1-CB 4.36Å; I165-R195 HydrophobicContact CG2-CB 4.37Å; I165-L198 HydrophobicContact CD1-CD1 3.73Å
166	E	97.5	Very high	97.7	Very high	125 Å²	125	65.9 Å²	65.9	58%	0.584	32%	0.324	S	S	*	.	H	α-helix	trans	-60.8	-32.5	177.1	-72.4	167.9	174.1	0	0	112.6	L162 K163 A164 G168	L162-E166 WeakPolarHBondContact O-CG 3.07Å; L162-E166 PolarHBondContact O-N 2.85Å; K163-E166 PolarHBondContact O-N 3.42Å; A164-E166 VanDerWaalsContact C-N 3.35Å; A164-E166 PolarHBondContact O-N 3.29Å; E166-G168 PolarHBondContact O-N 3.39Å
167	R	97.5	Very high	97.6	Very high	174 Å²	174	61.8 Å²	61.8	66%	0.657	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	0.9	172.9	-68.2	-172.6	-59.4	-137.5	2.4	114	K163 A164 I165 E169	K163-R167 WeakPolarHBondContact O-CG 3.26Å; K163-R167 PolarHBondContact O-N 3.09Å; K163-R167 VanDerWaalsContact O-N 3.15Å; A164-R167 PolarHBondContact O-N 2.94Å; I165-R167 PolarHBondContact O-N 3.49Å; R167-E169 HydrophobicContact CB-CG 4.42Å; R167-E169 IonicContact CZ-OE1 2.83Å; R167-E169 IonicContact NE-OE1 4Å; R167-E169 PolarHBondContact NE-OE1 3.13Å; R167-E169 IonicContact NH2-OE1 2.79Å; R167-E169 PolarHBondContact NH2-OE1 2.93Å
168	G	96.9	Very high	97.4	Very high	65 Å²	65	62 Å²	62	67%	0.67	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	13.7	-177.2	0	0	0	0	0	114.1	A164 I165 E166 N170	A164-G168 PolarHBondContact O-N 3.15Å; I165-G168 WeakPolarHBondContact O-CA 3.28Å; I165-G168 PolarHBondContact O-N 3.35Å; E166-G168 PolarHBondContact O-N 3.39Å; G168-N170 PolarHBondContact O-N 3.47Å
169	E	97.5	Very high	96.8	Very high	77 Å²	77	70 Å²	70	36%	0.36	34%	0.341	S	S	.	.			trans	-72.9	128.4	176.4	-60.3	175.8	-126.3	0	0	110.6	A164 R167	A164-E169 HydrophobicContact CB-CB 4.2Å; A164-E169 HydrophobicContact CB-CG 4.47Å; A164-E169 VanDerWaalsContact O-CB 3.25Å; A164-E169 WeakPolarHBondContact O-CB 3.29Å; A164-E169 PolarHBondContact O-N 3.16Å; R167-E169 HydrophobicContact CB-CG 4.42Å; R167-E169 IonicContact CZ-OE1 2.83Å; R167-E169 IonicContact NE-OE1 4Å; R167-E169 PolarHBondContact NE-OE1 3.13Å; R167-E169 IonicContact NH2-OE1 2.79Å; R167-E169 PolarHBondContact NH2-OE1 2.93Å
170	N	94.4	Very high	96.2	Very high	90 Å²	90	67.1 Å²	67.1	48%	0.481	35%	0.349	S	S	.	.			trans	-97.4	3.9	174.3	67.7	-11.8	0	0	0	113.1	G168 T187 V188	G168-N170 PolarHBondContact O-N 3.47Å; N170-T187 CarbonylContact O-C 3.46Å; N170-T187 WeakPolarHBondContact O-CA 3.41Å; N170-V188 WeakPolarHBondContact O-CB 3.38Å; N170-V188 PolarHBondContact O-N 2.93Å
171	R	97.2	Very high	95.7	Very high	104 Å²	104	65.7 Å²	65.7	39%	0.392	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	114.8	178.5	-64.1	-175	77.1	-161.3	6.1	110.3	T186 D272	R171-T186 WeakPolarHBondContact CA-O 3.44Å; R171-D272 IonicContact NH2-OD1 3.12Å
172	L	98.3	Very high	95.3	Very high	0 Å²	0	75 Å²	75	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.6	-177.8	-58.7	179.4	0	0	0	110.9	M144 W161 A164 I165 H185 T186 V188 V194 L198	M144-L172 HydrophobicContact CE-CB 3.92Å; M144-L172 HydrophobicContact CE-CD1 3.63Å; M144-L172 HydrophobicContact CE-CG 4.43Å; M144-L172 HydrophobicContact SD-CD1 4.2Å; W161-L172 HydrophobicContact CB-CD1 4.07Å; W161-L172 HydrophobicContact CB-CD2 4.35Å; W161-L172 HydrophobicContact CG-CB 4.42Å; W161-L172 HydrophobicContact CG-CD1 4.2Å; A164-L172 HydrophobicContact CB-CD2 3.67Å; I165-L172 HydrophobicContact CD1-CD1 4.34Å; I165-L172 HydrophobicContact CG1-CD1 4.5Å; I165-L172 HydrophobicContact CG1-CD2 4.13Å; L172-H185 CarbonylContact O-C 3.28Å; L172-H185 WeakPolarHBondContact O-CA 3.48Å; L172-T186 HydrophobicContact CB-CG2 4.3Å; L172-T186 PolarHBondContact N-O 3.45Å; L172-T186 PolarHBondContact O-N 2.98Å; L172-V188 HydrophobicContact CD1-CG2 3.56Å; L172-V188 HydrophobicContact CG-CG2 3.58Å; L172-V194 HydrophobicContact CD1-CG1 4.11Å; L172-L198 HydrophobicContact CD1-CD1 4.44Å
173	K	98	Very high	95.1	Very high	110 Å²	110	77.9 Å²	77.9	48%	0.478	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.8	178.6	-165	178.1	-177.4	175.4	0	110.6	W161 V175	W161-K173 PolarHBondContact NE1-O 2.75Å; K173-V175 HydrophobicContact CD-CG1 3.96Å; K173-V175 HydrophobicContact CG-CG1 3.78Å
174	V	98.3	Very high	95.1	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.012	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.9	172.7	-174.8	0	0	0	0	108.3	L146 E150 W161 T178 P183 R184 T186	L146-V174 HydrophobicContact CD2-CG2 4.01Å; E150-V174 HydrophobicContact CB-CG1 4.23Å; E150-V174 HydrophobicContact CG-CG1 4.01Å; W161-V174 HydrophobicContact CZ2-CG2 4.12Å; V174-T178 HydrophobicContact CB-CG2 4.37Å; V174-T178 HydrophobicContact CG1-CG2 3.86Å; V174-T178 WeakPolarHBondContact O-CG2 3.5Å; V174-P183 WeakPolarHBondContact O-CA 3.23Å; V174-R184 HydrophobicContact CB-CG 4.05Å; V174-R184 PolarHBondContact N-O 3.12Å; V174-R184 PolarHBondContact O-N 3.14Å; V174-T186 HydrophobicContact CG2-CG2 4.24Å
175	V	97	Very high	95	Very high	53 Å²	53	75.6 Å²	75.6	32%	0.321	40%	0.397	S	S	.	.			trans	-108.9	-22.6	-175.4	-58.5	0	0	0	0	113.6	K173 P183	K173-V175 HydrophobicContact CD-CG1 3.96Å; K173-V175 HydrophobicContact CG-CG1 3.78Å; V175-P183 HydrophobicContact CG1-CB 4.28Å
176	F	97	Very high	95	Very high	90 Å²	90	75 Å²	75	40%	0.395	39%	0.394	S	S	.	.	S	Bend	trans	-107.6	148.7	179.8	-58.2	-66.2	0	0	0	111.9	Q153 L156 S157 T178	Q153-F176 HydrophobicContact CB-CB 3.92Å; L156-F176 HydrophobicContact CB-CD2 3.58Å; L156-F176 HydrophobicContact CB-CE2 3.72Å; L156-F176 HydrophobicContact CB-CG 4.38Å; L156-F176 HydrophobicContact CD1-CB 4.38Å; L156-F176 HydrophobicContact CD1-CD1 4.25Å; L156-F176 HydrophobicContact CD1-CD2 3.97Å; L156-F176 HydrophobicContact CD1-CE2 4.33Å; L156-F176 HydrophobicContact CD1-CG 3.94Å; L156-F176 HydrophobicContact CG-CD2 4.44Å; S157-F176 WeakPolarHBondContact OG-CD2 3.32Å; F176-T178 PolarHBondContact O-N 3.4Å; F176-T178 VanDerWaalsContact O-N 3.16Å
177	G	95.3	Very high	95	Very high	10 Å²	10	69.5 Å²	69.5	10%	0.103	37%	0.369	C	S	.	.	S	Bend	trans	72.6	1.4	177.8	0	0	0	0	0	115.3	E150	E150-G177 WeakPolarHBondContact CG-O 3.33Å
178	T	93.7	Very high	95	Very high	12 Å²	12	61.6 Å²	61.6	7%	0.074	34%	0.34	C	S	.	.			trans	-70.5	148.7	-177.5	59.8	0	0	0	0	111.6	E150 V174 F176 G180 G181 R182 R184	E150-T178 HydrophobicContact CG-CG2 4.4Å; V174-T178 HydrophobicContact CB-CG2 4.37Å; V174-T178 HydrophobicContact CG1-CG2 3.86Å; V174-T178 WeakPolarHBondContact O-CG2 3.5Å; F176-T178 PolarHBondContact O-N 3.4Å; F176-T178 VanDerWaalsContact O-N 3.16Å; T178-G180 PolarHBondContact O-N 3.24Å; T178-G181 PolarHBondContact O-N 3.05Å; T178-G181 VanDerWaalsContact O-N 3.14Å; T178-R182 WeakPolarHBondContact CB-O 3.37Å; T178-R182 PolarHBondContact OG1-N 2.97Å; T178-R182 PolarHBondContact OG1-O 3.43Å; T178-R184 HydrophobicContact CG2-CG 4.32Å
179	K	86.9	Confident	95.1	Very high	167 Å²	167	60.5 Å²	60.5	73%	0.726	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-64.7	122.1	-178.3	-172.7	176.4	-179.9	-179.6	0	110.2	G181	K179-G181 VanDerWaalsContact C-N 3.25Å; K179-G181 PolarHBondContact O-N 2.81Å
180	G	85.1	Confident	95.1	Very high	73 Å²	73	61.2 Å²	61.2	75%	0.753	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	71.7	16.5	179.9	0	0	0	0	0	114.3	T178 R182	T178-G180 PolarHBondContact O-N 3.24Å; G180-R182 PolarHBondContact O-N 3.29Å
181	G	86.5	Confident	95.2	Very high	61 Å²	61	60.1 Å²	60.1	63%	0.629	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	70	14	178.2	0	0	0	0	0	114.5	T178 K179 P183	T178-G181 PolarHBondContact O-N 3.05Å; T178-G181 VanDerWaalsContact O-N 3.14Å; K179-G181 VanDerWaalsContact C-N 3.25Å; K179-G181 PolarHBondContact O-N 2.81Å; G181-P183 WeakPolarHBondContact O-CD 3.47Å
182	R	90.6	Very high	95.2	Very high	199 Å²	199	57.5 Å²	57.5	75%	0.751	33%	0.327	S	S	*	.			trans	-92.1	118.1	-179.4	-64.7	-177.8	-176.8	-177.9	-2	109.8	T178 G180	T178-R182 WeakPolarHBondContact CB-O 3.37Å; T178-R182 PolarHBondContact OG1-N 2.97Å; T178-R182 PolarHBondContact OG1-O 3.43Å; G180-R182 PolarHBondContact O-N 3.29Å
183	P	95.4	Very high	95.2	Very high	76 Å²	76	59 Å²	59	49%	0.494	34%	0.339	S	S	.	.			trans	-57.8	150.9	176.1	-25.2	35.2	0	0	0	112.1	V174 V175 G181	V174-P183 WeakPolarHBondContact O-CA 3.23Å; V175-P183 HydrophobicContact CG1-CB 4.28Å; G181-P183 WeakPolarHBondContact O-CD 3.47Å
184	R	97	Very high	95.2	Very high	11 Å²	11	53.9 Å²	53.9	4%	0.042	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	160.2	171.6	68	179	-175.7	85.1	2.9	110.1	G145 E150 V174 T178 D272	G145-R184 PolarHBondContact O-NH2 3.15Å; E150-R184 IonicContact OE1-CZ 3.53Å; E150-R184 IonicContact OE1-NE 3.19Å; E150-R184 PolarHBondContact OE1-NE 3.4Å; E150-R184 VanDerWaalsContact OE1-NE 3.08Å; E150-R184 IonicContact OE1-NH2 3.18Å; E150-R184 IonicContact OE2-CZ 3.69Å; E150-R184 IonicContact OE2-NE 2.86Å; E150-R184 PolarHBondContact OE2-NE 3.08Å; E150-R184 IonicContact OE2-NH2 2.69Å; E150-R184 PolarHBondContact OE2-NH2 3.09Å; V174-R184 HydrophobicContact CB-CG 4.05Å; V174-R184 PolarHBondContact N-O 3.12Å; V174-R184 PolarHBondContact O-N 3.14Å; T178-R184 HydrophobicContact CG2-CG 4.32Å; R184-D272 WeakPolarHBondContact CD-O 2.82Å; R184-D272 PolarHBondContact NH1-O 3.35Å
185	H	97.3	Very high	95.2	Very high	76 Å²	76	59 Å²	59	35%	0.352	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	156.8	165.8	-66.7	86.4	0	0	0	109.5	L172 D272	L172-H185 CarbonylContact O-C 3.28Å; L172-H185 WeakPolarHBondContact O-CA 3.48Å; H185-D272 CarbonylContact O-C 3.52Å; H185-D272 VanDerWaalsContact O-CA 3.31Å; H185-D272 WeakPolarHBondContact O-CA 3.47Å
186	T	97.9	Very high	95.3	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	132.9	170.1	-159.4	0	0	0	0	108.3	M144 R171 L172 V174 W247	M144-T186 HydrophobicContact CB-CG2 4.12Å; M144-T186 HydrophobicContact CE-CG2 3.72Å; M144-T186 PolarHBondContact O-OG1 3.28Å; R171-T186 WeakPolarHBondContact CA-O 3.44Å; L172-T186 HydrophobicContact CB-CG2 4.3Å; L172-T186 PolarHBondContact N-O 3.45Å; L172-T186 PolarHBondContact O-N 2.98Å; V174-T186 HydrophobicContact CG2-CG2 4.24Å; T186-W247 WeakPolarHBondContact OG1-CZ2 3.37Å
187	T	98	Very high	95.4	Very high	9 Å²	9	59.8 Å²	59.8	6%	0.055	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	136.6	175.9	-54.7	0	0	0	0	109.7	N170 L189 Y255 D272	N170-T187 CarbonylContact O-C 3.46Å; N170-T187 WeakPolarHBondContact O-CA 3.41Å; T187-L189 HydrophobicContact CG2-CD2 4.29Å; T187-Y255 WeakPolarHBondContact CB-OH 3.33Å; T187-Y255 PolarHBondContact OG1-OH 3.28Å; T187-D272 WeakPolarHBondContact CB-OD2 3.34Å; T187-D272 PolarHBondContact N-OD2 3.33Å; T187-D272 PolarHBondContact OG1-OD2 3.37Å
188	V	97.9	Very high	95.5	Very high	8 Å²	8	59.4 Å²	59.4	5%	0.048	33%	0.331	C	S	.	.			trans	-85.8	108.3	174	173.1	0	0	0	0	107.4	N170 L172 T191 V194	N170-V188 WeakPolarHBondContact O-CB 3.38Å; N170-V188 PolarHBondContact O-N 2.93Å; L172-V188 HydrophobicContact CD1-CG2 3.56Å; L172-V188 HydrophobicContact CG-CG2 3.58Å; V188-T191 VanDerWaalsContact CG1-CA 3.5Å; V188-V194 HydrophobicContact CG1-CB 3.94Å; V188-V194 HydrophobicContact CG1-CG1 4.39Å; V188-V194 HydrophobicContact CG1-CG2 3.86Å; V188-V194 HydrophobicContact CG2-CG1 4.4Å
189	L	97.4	Very high	95.8	Very high	43 Å²	43	62.5 Å²	62.5	23%	0.225	35%	0.345	C	S	.	.	S	Bend	trans	-79.2	-30.1	-176.7	-51.9	-178.1	0	0	0	112.3	T187 D250 A251 H254	T187-L189 HydrophobicContact CG2-CD2 4.29Å; L189-D250 HydrophobicContact CD1-CB 3.62Å; L189-A251 HydrophobicContact CD1-CB 4.16Å; L189-A251 HydrophobicContact CD2-CB 4.31Å; L189-H254 HydrophobicContact CD2-CB 3.96Å
190	D	97.2	Very high	96.3	Very high	91 Å²	91	57.6 Å²	57.6	49%	0.487	32%	0.324	S	S	.	.			trans	-137.2	101.7	175.2	-179.8	-19.9	0	0	0	108.5	G192 A193 V194	D190-G192 VanDerWaalsContact C-N 3.3Å; D190-G192 PolarHBondContact O-N 3.32Å; D190-G192 PolarHBondContact OD1-N 3.42Å; D190-A193 HydrophobicContact CB-CB 3.96Å; D190-A193 VanDerWaalsContact CG-CB 3.41Å; D190-A193 PolarHBondContact OD1-N 3.3Å; D190-A193 WeakPolarHBondContact OD2-CB 3.39Å; D190-V194 WeakPolarHBondContact O-CB 3.5Å; D190-V194 WeakPolarHBondContact O-CG2 3.25Å; D190-V194 PolarHBondContact O-N 2.85Å
191	T	97.1	Very high	96.9	Very high	67 Å²	67	54.1 Å²	54.1	41%	0.411	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-36.1	-177.5	-53.1	0	0	0	0	112.2	I165 V188 R195	I165-T191 HydrophobicContact CG2-CG2 3.69Å; V188-T191 VanDerWaalsContact CG1-CA 3.5Å; T191-R195 WeakPolarHBondContact O-CB 3.46Å; T191-R195 PolarHBondContact O-N 3.02Å
192	G	97.7	Very high	97.5	Very high	49 Å²	49	53 Å²	53	51%	0.505	27%	0.268	S	S	.	.	H	α-helix	trans	-68	-49.2	179.6	0	0	0	0	0	111.6	D190 R195 K196	D190-G192 VanDerWaalsContact C-N 3.3Å; D190-G192 PolarHBondContact O-N 3.32Å; D190-G192 PolarHBondContact OD1-N 3.42Å; G192-R195 PolarHBondContact O-N 3.08Å; G192-K196 WeakPolarHBondContact O-CB 3.45Å; G192-K196 PolarHBondContact O-N 3.42Å
193	A	98.1	Very high	97.9	Very high	32 Å²	32	48.4 Å²	48.4	26%	0.264	26%	0.257	S	S	.	.	H	α-helix	trans	-63.2	-44	178	0	0	0	0	0	112	L143 D190 A197	L143-A193 HydrophobicContact CD1-CB 4.38Å; L143-A193 HydrophobicContact CD2-CB 4.11Å; D190-A193 HydrophobicContact CB-CB 3.96Å; D190-A193 VanDerWaalsContact CG-CB 3.41Å; D190-A193 PolarHBondContact OD1-N 3.3Å; D190-A193 WeakPolarHBondContact OD2-CB 3.39Å; A193-A197 WeakPolarHBondContact O-CB 3.39Å; A193-A197 PolarHBondContact O-N 3.47Å
194	V	98.4	Very high	98	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.018	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-48.1	177.7	172.8	0	0	0	0	110.8	L143 M144 I165 L172 V188 D190 K196 A197 L198	L143-V194 HydrophobicContact CB-CG2 3.94Å; M144-V194 HydrophobicContact CG-CG1 4.41Å; M144-V194 HydrophobicContact CG-CG2 4.46Å; M144-V194 HydrophobicContact SD-CG1 4.37Å; I165-V194 HydrophobicContact CD1-CG1 3.83Å; L172-V194 HydrophobicContact CD1-CG1 4.11Å; V188-V194 HydrophobicContact CG1-CB 3.94Å; V188-V194 HydrophobicContact CG1-CG1 4.39Å; V188-V194 HydrophobicContact CG1-CG2 3.86Å; V188-V194 HydrophobicContact CG2-CG1 4.4Å; D190-V194 WeakPolarHBondContact O-CB 3.5Å; D190-V194 WeakPolarHBondContact O-CG2 3.25Å; D190-V194 PolarHBondContact O-N 2.85Å; V194-K196 PolarHBondContact O-N 3.44Å; V194-A197 PolarHBondContact O-N 3.11Å; V194-L198 HydrophobicContact CG1-CD1 3.82Å; V194-L198 HydrophobicContact CG1-CG 4.1Å; V194-L198 WeakPolarHBondContact O-CB 3.09Å; V194-L198 VanDerWaalsContact O-CG 3.25Å; V194-L198 WeakPolarHBondContact O-CG 3.26Å; V194-L198 PolarHBondContact O-N 2.83Å
195	R	98.4	Very high	98	Very high	109 Å²	109	45.1 Å²	45.1	41%	0.411	24%	0.237	S	C	.	.	H	α-helix	trans	-55	-51	178	-179.3	177.1	178.9	161.6	6.9	111.5	L162 I165 T191 G192 A197 L198 E199	L162-R195 HydrophobicContact CD2-CG 4.33Å; I165-R195 HydrophobicContact CD1-CB 4.36Å; I165-R195 HydrophobicContact CG2-CB 4.37Å; T191-R195 WeakPolarHBondContact O-CB 3.46Å; T191-R195 PolarHBondContact O-N 3.02Å; G192-R195 PolarHBondContact O-N 3.08Å; R195-A197 VanDerWaalsContact C-N 3.33Å; R195-A197 PolarHBondContact O-N 2.93Å; R195-L198 PolarHBondContact O-N 3Å; R195-L198 VanDerWaalsContact O-N 3.17Å; R195-E199 HydrophobicContact CG-CG 4.43Å; R195-E199 WeakPolarHBondContact CG-OE1 3.43Å; R195-E199 IonicContact CZ-OE1 3.13Å; R195-E199 IonicContact NE-OE1 3.78Å; R195-E199 PolarHBondContact NE-OE1 3.45Å; R195-E199 IonicContact NH2-OE1 3.29Å; R195-E199 WeakPolarHBondContact O-CG 3.45Å; R195-E199 PolarHBondContact O-N 2.93Å
196	K	98.5	Very high	98	Very high	156 Å²	156	46.2 Å²	46.2	68%	0.678	25%	0.246	S	C	*	.	H	α-helix	trans	-59.7	-42	179.4	-174.5	176.6	-178	176.2	0	112.3	G192 V194 K200	G192-K196 WeakPolarHBondContact O-CB 3.45Å; G192-K196 PolarHBondContact O-N 3.42Å; V194-K196 PolarHBondContact O-N 3.44Å; K196-K200 WeakPolarHBondContact O-CB 3.36Å; K196-K200 PolarHBondContact O-N 2.87Å
197	A	98.5	Very high	97.9	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.033	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-40.3	177.3	0	0	0	0	0	112.1	E139 I140 L143 A193 V194 R195 A201	E139-A197 HydrophobicContact CG-CB 3.98Å; I140-A197 HydrophobicContact CG1-CB 4.33Å; L143-A197 HydrophobicContact CD1-CB 3.56Å; A193-A197 WeakPolarHBondContact O-CB 3.39Å; A193-A197 PolarHBondContact O-N 3.47Å; V194-A197 PolarHBondContact O-N 3.11Å; R195-A197 VanDerWaalsContact C-N 3.33Å; R195-A197 PolarHBondContact O-N 2.93Å; A197-A201 VanDerWaalsContact O-CB 3.25Å; A197-A201 WeakPolarHBondContact O-CB 3.21Å; A197-A201 PolarHBondContact O-N 2.63Å
198	L	98.7	Very high	97.7	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-68.2	-43.7	177.8	-67.8	-179.5	0	0	0	112.6	I140 M144 L158 W161 L162 I165 L172 V194 R195 A201 L202	I140-L198 HydrophobicContact CD1-CD2 3.87Å; I140-L198 HydrophobicContact CG1-CD2 4.18Å; I140-L198 HydrophobicContact CG2-CD2 4.36Å; M144-L198 HydrophobicContact SD-CD2 4.35Å; L158-L198 HydrophobicContact CD2-CD2 3.66Å; W161-L198 HydrophobicContact CB-CD1 3.67Å; W161-L198 HydrophobicContact CE3-CD2 3.61Å; W161-L198 HydrophobicContact CZ3-CD2 4.21Å; L162-L198 HydrophobicContact CD1-CB 4.47Å; L162-L198 HydrophobicContact CD2-CB 3.66Å; L162-L198 HydrophobicContact CD2-CD1 4.3Å; L162-L198 HydrophobicContact CG-CB 3.93Å; L162-L198 HydrophobicContact CG-CD1 4.41Å; I165-L198 HydrophobicContact CD1-CD1 3.73Å; L172-L198 HydrophobicContact CD1-CD1 4.44Å; V194-L198 HydrophobicContact CG1-CD1 3.82Å; V194-L198 HydrophobicContact CG1-CG 4.1Å; V194-L198 WeakPolarHBondContact O-CB 3.09Å; V194-L198 VanDerWaalsContact O-CG 3.25Å; V194-L198 WeakPolarHBondContact O-CG 3.26Å; V194-L198 PolarHBondContact O-N 2.83Å; R195-L198 PolarHBondContact O-N 3Å; R195-L198 VanDerWaalsContact O-N 3.17Å; L198-A201 PolarHBondContact O-N 3.24Å; L198-L202 WeakPolarHBondContact O-CB 3.48Å; L198-L202 PolarHBondContact O-N 2.91Å
199	E	98.5	Very high	97.5	Very high	78 Å²	78	63 Å²	63	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-60.6	-47.1	175.9	-72.5	168.9	175.7	0	0	110.8	L162 R195 A201 L202 L203	L162-E199 HydrophobicContact CD1-CG 4.4Å; L162-E199 HydrophobicContact CD2-CG 3.77Å; R195-E199 HydrophobicContact CG-CG 4.43Å; R195-E199 WeakPolarHBondContact CG-OE1 3.43Å; R195-E199 IonicContact CZ-OE1 3.13Å; R195-E199 IonicContact NE-OE1 3.78Å; R195-E199 PolarHBondContact NE-OE1 3.45Å; R195-E199 IonicContact NH2-OE1 3.29Å; R195-E199 WeakPolarHBondContact O-CG 3.45Å; R195-E199 PolarHBondContact O-N 2.93Å; E199-A201 PolarHBondContact O-N 3.42Å; E199-L202 PolarHBondContact O-N 2.82Å; E199-L203 PolarHBondContact O-N 3.35Å; E199-L203 VanDerWaalsContact O-N 3.16Å
200	K	98.1	Very high	97.5	Very high	64 Å²	64	62.7 Å²	62.7	28%	0.278	33%	0.325	S	S	.	.	H	α-helix	trans	-60.7	-44.9	175.3	178.8	-176.6	164.2	-157	0	111.9	R128 E139 K196 L202 L203 V204	R128-K200 VanDerWaalsContact NH1-NZ 3.15Å; E139-K200 IonicContact OE2-NZ 2.78Å; E139-K200 PolarHBondContact OE2-NZ 3.22Å; K196-K200 WeakPolarHBondContact O-CB 3.36Å; K196-K200 PolarHBondContact O-N 2.87Å; K200-L202 VanDerWaalsContact C-N 3.28Å; K200-L202 PolarHBondContact O-N 2.92Å; K200-L203 PolarHBondContact O-N 3.41Å; K200-V204 WeakPolarHBondContact O-CG2 3.32Å; K200-V204 PolarHBondContact O-N 3.37Å; K200-V204 VanDerWaalsContact O-N 3.11Å
201	A	98.6	Very high	97.5	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-34.8	178.4	0	0	0	0	0	112.4	A136 I140 L158 A197 L198 E199 V204 A205 L212	A136-A201 HydrophobicContact CB-CB 3.99Å; I140-A201 HydrophobicContact CD1-CB 3.36Å; I140-A201 HydrophobicContact CG1-CB 4.42Å; L158-A201 HydrophobicContact CD1-CB 3.94Å; L158-A201 HydrophobicContact CD2-CB 4.03Å; A197-A201 VanDerWaalsContact O-CB 3.25Å; A197-A201 WeakPolarHBondContact O-CB 3.21Å; A197-A201 PolarHBondContact O-N 2.63Å; L198-A201 PolarHBondContact O-N 3.24Å; E199-A201 PolarHBondContact O-N 3.42Å; A201-V204 PolarHBondContact O-N 3.41Å; A201-A205 VanDerWaalsContact O-CB 3.31Å; A201-A205 WeakPolarHBondContact O-CB 3.49Å; A201-A205 PolarHBondContact O-N 2.78Å; A201-L212 HydrophobicContact CB-CD1 4.27Å; A201-L212 HydrophobicContact CB-CD2 4.11Å; A201-L212 WeakPolarHBondContact O-CD2 3.3Å
202	L	98.4	Very high	97.5	Very high	38 Å²	38	60 Å²	60	20%	0.199	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-46	176.9	-176.9	64.3	0	0	0	110.7	L158 K159 L162 L198 E199 K200 V204 A205 D206	L158-L202 HydrophobicContact CB-CD1 4.29Å; L158-L202 HydrophobicContact CD1-CB 4.31Å; L158-L202 HydrophobicContact CD1-CD1 4.45Å; K159-L202 HydrophobicContact CD-CD1 4.47Å; K159-L202 HydrophobicContact CG-CD1 3.84Å; K159-L202 HydrophobicContact CG-CD2 4.33Å; L162-L202 HydrophobicContact CD1-CD2 3.93Å; L198-L202 WeakPolarHBondContact O-CB 3.48Å; L198-L202 PolarHBondContact O-N 2.91Å; E199-L202 PolarHBondContact O-N 2.82Å; K200-L202 VanDerWaalsContact C-N 3.28Å; K200-L202 PolarHBondContact O-N 2.92Å; L202-V204 VanDerWaalsContact C-N 3.28Å; L202-V204 PolarHBondContact O-N 2.87Å; L202-A205 PolarHBondContact O-N 2.92Å; L202-D206 PolarHBondContact O-N 2.8Å
203	L	97.9	Very high	97.5	Very high	102 Å²	102	57.9 Å²	57.9	53%	0.534	28%	0.278	S	S	.	.	H	α-helix	trans	-60.2	-36.9	175.6	-66.8	173.9	0	0	0	112.9	E199 K200 R207	E199-L203 PolarHBondContact O-N 3.35Å; E199-L203 VanDerWaalsContact O-N 3.16Å; K200-L203 PolarHBondContact O-N 3.41Å; L203-R207 WeakPolarHBondContact O-CG 3.35Å; L203-R207 PolarHBondContact O-NE 3.28Å
204	V	98.1	Very high	97.5	Very high	14 Å²	14	58.9 Å²	58.9	9%	0.085	28%	0.279	C	S	.	.	H	α-helix	trans	-71.3	-45.4	176.1	174.9	0	0	0	0	110.7	A132 K200 A201 L202 D206 R207 H208 L212	A132-V204 HydrophobicContact CB-CG1 4.24Å; A132-V204 HydrophobicContact CB-CG2 4.22Å; K200-V204 WeakPolarHBondContact O-CG2 3.32Å; K200-V204 PolarHBondContact O-N 3.37Å; K200-V204 VanDerWaalsContact O-N 3.11Å; A201-V204 PolarHBondContact O-N 3.41Å; L202-V204 VanDerWaalsContact C-N 3.28Å; L202-V204 PolarHBondContact O-N 2.87Å; V204-D206 VanDerWaalsContact C-N 3.31Å; V204-D206 PolarHBondContact O-N 3.31Å; V204-R207 PolarHBondContact O-N 3.47Å; V204-R207 VanDerWaalsContact O-N 3.13Å; V204-H208 WeakPolarHBondContact O-CB 3.45Å; V204-H208 PolarHBondContact O-N 3.13Å; V204-H208 VanDerWaalsContact O-N 3.15Å; V204-L212 HydrophobicContact CB-CD2 4.31Å; V204-L212 HydrophobicContact CG1-CD2 4.24Å
205	A	97.9	Very high	97.4	Very high	3 Å²	3	62.5 Å²	62.5	3%	0.025	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-40.4	179.1	0	0	0	0	0	111.9	L158 A201 L202 R207 H208 N209 G210 L212	L158-A205 HydrophobicContact CD1-CB 4.21Å; A201-A205 VanDerWaalsContact O-CB 3.31Å; A201-A205 WeakPolarHBondContact O-CB 3.49Å; A201-A205 PolarHBondContact O-N 2.78Å; L202-A205 PolarHBondContact O-N 2.92Å; A205-R207 PolarHBondContact O-N 2.95Å; A205-H208 CarbonylContact O-C 3.57Å; A205-H208 VanDerWaalsContact O-C 3.28Å; A205-H208 WeakPolarHBondContact O-CA 3.37Å; A205-H208 PolarHBondContact O-N 3.23Å; A205-N209 PolarHBondContact O-N 3.14Å; A205-G210 VanDerWaalsContact O-CA 3.25Å; A205-G210 WeakPolarHBondContact O-CA 3.17Å; A205-G210 PolarHBondContact O-N 2.97Å; A205-L212 HydrophobicContact CB-CD2 4.12Å
206	D	97	Very high	97.3	Very high	100 Å²	100	61.9 Å²	61.9	54%	0.535	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-31.1	178.3	-72.6	-20.9	0	0	0	112.3	L202 V204	L202-D206 PolarHBondContact O-N 2.8Å; V204-D206 VanDerWaalsContact C-N 3.31Å; V204-D206 PolarHBondContact O-N 3.31Å
207	R	95.8	Very high	97.1	Very high	197 Å²	197	58.2 Å²	58.2	74%	0.743	29%	0.292	S	S	*	.	H	α-helix	trans	-80.3	-18	173.7	-60.4	175.9	-150	-175.7	0.9	113.3	L203 V204 A205	L203-R207 WeakPolarHBondContact O-CG 3.35Å; L203-R207 PolarHBondContact O-NE 3.28Å; V204-R207 PolarHBondContact O-N 3.47Å; V204-R207 VanDerWaalsContact O-N 3.13Å; A205-R207 PolarHBondContact O-N 2.95Å
208	H	93.7	Very high	97	Very high	47 Å²	47	61.1 Å²	61.1	22%	0.218	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	41.7	-172.9	-76	-151.1	0	0	0	110.8	V204 A205 G210 R211 D214	V204-H208 WeakPolarHBondContact O-CB 3.45Å; V204-H208 PolarHBondContact O-N 3.13Å; V204-H208 VanDerWaalsContact O-N 3.15Å; A205-H208 CarbonylContact O-C 3.57Å; A205-H208 VanDerWaalsContact O-C 3.28Å; A205-H208 WeakPolarHBondContact O-CA 3.37Å; A205-H208 PolarHBondContact O-N 3.23Å; H208-G210 PolarHBondContact O-N 3.26Å; H208-G210 VanDerWaalsContact O-N 3.15Å; H208-R211 WeakPolarHBondContact CB-O 3.35Å; H208-R211 PolarHBondContact O-N 3.48Å; H208-D214 HydrophobicContact CB-CB 4.27Å
209	N	94.5	Very high	96.9	Very high	126 Å²	126	67.8 Å²	67.8	67%	0.674	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	35.6	176.7	-58.4	-52.6	0	0	0	114.3	A205 R211 D214	A205-N209 PolarHBondContact O-N 3.14Å; N209-R211 VanDerWaalsContact C-N 3.33Å; N209-R211 PolarHBondContact O-N 3.02Å; N209-D214 PolarHBondContact ND2-OD2 3.43Å
210	G	96	Very high	96.9	Very high	35 Å²	35	68 Å²	68	36%	0.361	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	14	-177.8	0	0	0	0	0	114.7	S155 A205 H208	S155-G210 WeakPolarHBondContact CB-O 3.24Å; S155-G210 PolarHBondContact OG-O 2.89Å; A205-G210 VanDerWaalsContact O-CA 3.25Å; A205-G210 WeakPolarHBondContact O-CA 3.17Å; A205-G210 PolarHBondContact O-N 2.97Å; H208-G210 PolarHBondContact O-N 3.26Å; H208-G210 VanDerWaalsContact O-N 3.15Å
211	R	97.4	Very high	96.9	Very high	101 Å²	101	65.2 Å²	65.2	38%	0.381	33%	0.327	S	S	.	.			trans	-124.5	147	-177.5	-59.2	-172.5	-174.2	114.8	-2.5	111.5	H208 N209 D214 K215	H208-R211 WeakPolarHBondContact CB-O 3.35Å; H208-R211 PolarHBondContact O-N 3.48Å; N209-R211 VanDerWaalsContact C-N 3.33Å; N209-R211 PolarHBondContact O-N 3.02Å; R211-D214 HydrophobicContact CB-CB 4.23Å; R211-D214 IonicContact CZ-OD1 3.62Å; R211-D214 IonicContact NH1-OD1 3.86Å; R211-D214 PolarHBondContact NH1-OD1 3.22Å; R211-K215 PolarHBondContact NH1-O 3.35Å
212	L	98.2	Very high	96.8	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	-81.9	-39.9	168.5	-65.9	-178.3	0	0	0	111.2	G133 A136 A137 I140 S154 A201 V204 A205	G133-L212 CarbonylContact C-O 3.59Å; G133-L212 VanDerWaalsContact CA-O 3.23Å; G133-L212 WeakPolarHBondContact CA-O 3.36Å; A136-L212 HydrophobicContact CB-CD1 4.37Å; A136-L212 HydrophobicContact CB-CD2 4Å; A137-L212 HydrophobicContact CB-CB 4.15Å; A137-L212 HydrophobicContact CB-CD1 3.85Å; I140-L212 HydrophobicContact CD1-CD1 4.3Å; S154-L212 WeakPolarHBondContact OG-CD1 3.46Å; A201-L212 HydrophobicContact CB-CD1 4.27Å; A201-L212 HydrophobicContact CB-CD2 4.11Å; A201-L212 WeakPolarHBondContact O-CD2 3.3Å; V204-L212 HydrophobicContact CB-CD2 4.31Å; V204-L212 HydrophobicContact CG1-CD2 4.24Å; A205-L212 HydrophobicContact CB-CD2 4.12Å
213	I	97.8	Very high	96.8	Very high	5 Å²	5	70.1 Å²	70.1	3%	0.026	35%	0.349	C	S	.	.	S	Bend	trans	-109	92.2	171.7	-50.2	-59.2	0	0	0	107	L134 V152 K215 A221 W225	L134-I213 HydrophobicContact CB-CD1 4.35Å; L134-I213 HydrophobicContact CD1-CD1 4.43Å; V152-I213 HydrophobicContact CG2-CG1 4.3Å; I213-K215 HydrophobicContact CG2-CG 4.33Å; I213-K215 PolarHBondContact O-N 2.87Å; I213-K215 VanDerWaalsContact O-N 3.09Å; I213-A221 HydrophobicContact CG2-CB 4.28Å; I213-W225 HydrophobicContact CD1-CE3 4.14Å; I213-W225 HydrophobicContact CG1-CE3 4.22Å
214	D	96.5	Very high	96.8	Very high	54 Å²	54	66.1 Å²	66.1	29%	0.289	33%	0.33	S	S	.	.			trans	-78.5	99.3	-174.1	-168	21.3	0	0	0	111.5	H208 N209 R211	H208-D214 HydrophobicContact CB-CB 4.27Å; N209-D214 PolarHBondContact ND2-OD2 3.43Å; R211-D214 HydrophobicContact CB-CB 4.23Å; R211-D214 IonicContact CZ-OD1 3.62Å; R211-D214 IonicContact NH1-OD1 3.86Å; R211-D214 PolarHBondContact NH1-OD1 3.22Å
215	K	97.1	Very high	96.8	Very high	79 Å²	79	65.6 Å²	65.6	34%	0.343	33%	0.327	S	S	.	.			trans	-136.5	156.7	174.2	-64.6	-63.6	171.2	-158	0	109.7	R211 I213 D217 M220 A221 S224	R211-K215 PolarHBondContact NH1-O 3.35Å; I213-K215 HydrophobicContact CG2-CG 4.33Å; I213-K215 PolarHBondContact O-N 2.87Å; I213-K215 VanDerWaalsContact O-N 3.09Å; K215-D217 VanDerWaalsContact C-N 3.26Å; K215-D217 PolarHBondContact O-N 3.29Å; K215-M220 HydrophobicContact CB-CB 3.92Å; K215-M220 HydrophobicContact CG-CB 4.43Å; K215-A221 HydrophobicContact CB-CB 4.03Å; K215-A221 HydrophobicContact CG-CB 4.43Å; K215-S224 VanDerWaalsContact CE-OG 3.23Å; K215-S224 WeakPolarHBondContact CE-OG 3.3Å
216	P	95.2	Very high	96.7	Very high	96 Å²	96	69.7 Å²	69.7	62%	0.623	35%	0.345	S	S	*	.	S	Bend	trans	-57.5	-36.9	-174.2	-27.3	35.7	0	0	0	114.1	M220	P216-M220 HydrophobicContact CB-SD 4.24Å; P216-M220 HydrophobicContact CG-CE 4.39Å; P216-M220 HydrophobicContact CG-SD 3.96Å
217	D	96.2	Very high	96.8	Very high	78 Å²	78	73 Å²	73	42%	0.417	36%	0.355	S	S	.	.	S	Bend	trans	-140.9	169.2	179.8	68.8	56.5	0	0	0	112.6	K215 K219 M220 A221	K215-D217 VanDerWaalsContact C-N 3.26Å; K215-D217 PolarHBondContact O-N 3.29Å; D217-K219 VanDerWaalsContact C-N 3.29Å; D217-K219 PolarHBondContact O-N 3.27Å; D217-K219 WeakPolarHBondContact OD1-CA 3.17Å; D217-K219 VanDerWaalsContact OD1-CB 3.25Å; D217-K219 WeakPolarHBondContact OD1-CB 3.23Å; D217-K219 PolarHBondContact OD1-N 3.44Å; D217-M220 PolarHBondContact O-N 2.73Å; D217-M220 PolarHBondContact OD1-N 2.86Å; D217-A221 WeakPolarHBondContact O-CB 3.49Å; D217-A221 PolarHBondContact O-N 3.49Å
218	L	95.9	Very high	96.9	Very high	65 Å²	65	65.1 Å²	65.1	34%	0.34	33%	0.326	S	S	.	.	H	α-helix	trans	-62.2	-33.9	-178.2	178.8	61.9	0	0	0	113.2	Q149 V152 Q153 A221 L222	Q149-L218 HydrophobicContact CG-CD1 4.34Å; V152-L218 HydrophobicContact CG1-CD1 4.15Å; Q153-L218 HydrophobicContact CG-CD1 3.69Å; L218-A221 PolarHBondContact O-N 3.04Å; L218-L222 HydrophobicContact CD1-CD1 4.18Å; L218-L222 HydrophobicContact CD1-CG 4.16Å; L218-L222 HydrophobicContact CG-CD1 4.05Å; L218-L222 HydrophobicContact CG-CG 4.46Å; L218-L222 WeakPolarHBondContact O-CB 3.33Å; L218-L222 WeakPolarHBondContact O-CG 2.97Å; L218-L222 PolarHBondContact O-N 3.33Å
219	K	96.1	Very high	97.1	Very high	142 Å²	142	62.9 Å²	62.9	62%	0.617	32%	0.316	S	S	*	.	H	α-helix	trans	-67.1	-50.2	-179.1	-179	-169.4	172.2	-161.7	0	109.1	D217 A221 L222 E223	D217-K219 VanDerWaalsContact C-N 3.29Å; D217-K219 PolarHBondContact O-N 3.27Å; D217-K219 WeakPolarHBondContact OD1-CA 3.17Å; D217-K219 VanDerWaalsContact OD1-CB 3.25Å; D217-K219 WeakPolarHBondContact OD1-CB 3.23Å; D217-K219 PolarHBondContact OD1-N 3.44Å; K219-A221 VanDerWaalsContact C-N 3.3Å; K219-A221 PolarHBondContact O-N 3.38Å; K219-L222 PolarHBondContact O-N 2.85Å; K219-E223 WeakPolarHBondContact CE-OE1 3.42Å; K219-E223 WeakPolarHBondContact O-CG 3.28Å; K219-E223 PolarHBondContact O-N 3.29Å
220	M	97.9	Very high	97.2	Very high	82 Å²	82	61.4 Å²	61.4	40%	0.404	31%	0.307	S	S	.	.	H	α-helix	trans	-62.6	-37.8	175.8	-65.6	-175.8	74.6	0	0	111.8	K215 P216 D217 E223 S224	K215-M220 HydrophobicContact CB-CB 3.92Å; K215-M220 HydrophobicContact CG-CB 4.43Å; P216-M220 HydrophobicContact CB-SD 4.24Å; P216-M220 HydrophobicContact CG-CE 4.39Å; P216-M220 HydrophobicContact CG-SD 3.96Å; D217-M220 PolarHBondContact O-N 2.73Å; D217-M220 PolarHBondContact OD1-N 2.86Å; M220-E223 PolarHBondContact O-N 3.31Å; M220-S224 VanDerWaalsContact O-CB 3.31Å; M220-S224 WeakPolarHBondContact O-CB 3.44Å; M220-S224 PolarHBondContact O-N 2.94Å
221	A	98	Very high	97.3	Very high	6 Å²	6	66.1 Å²	66.1	5%	0.05	32%	0.318	C	S	.	.	H	α-helix	trans	-62.6	-43.8	175.3	0	0	0	0	0	112	V152 I213 K215 D217 L218 K219 S224 W225	V152-A221 HydrophobicContact CG1-CB 3.62Å; I213-A221 HydrophobicContact CG2-CB 4.28Å; K215-A221 HydrophobicContact CB-CB 4.03Å; K215-A221 HydrophobicContact CG-CB 4.43Å; D217-A221 WeakPolarHBondContact O-CB 3.49Å; D217-A221 PolarHBondContact O-N 3.49Å; L218-A221 PolarHBondContact O-N 3.04Å; K219-A221 VanDerWaalsContact C-N 3.3Å; K219-A221 PolarHBondContact O-N 3.38Å; A221-S224 PolarHBondContact O-N 3.26Å; A221-W225 WeakPolarHBondContact O-CB 3.4Å; A221-W225 PolarHBondContact O-N 3.21Å
222	L	97.7	Very high	97.3	Very high	34 Å²	34	61.4 Å²	61.4	18%	0.178	30%	0.3	C	S	.	.	H	α-helix	trans	-66.9	-40.5	176	-77.1	169.8	0	0	0	112.5	Q149 V152 L218 K219 W225 H226	Q149-L222 HydrophobicContact CB-CD2 4.1Å; Q149-L222 HydrophobicContact CG-CD1 4.27Å; Q149-L222 HydrophobicContact CG-CD2 4.33Å; V152-L222 HydrophobicContact CB-CD2 4.38Å; V152-L222 HydrophobicContact CG2-CD2 4.04Å; L218-L222 HydrophobicContact CD1-CD1 4.18Å; L218-L222 HydrophobicContact CD1-CG 4.16Å; L218-L222 HydrophobicContact CG-CD1 4.05Å; L218-L222 HydrophobicContact CG-CG 4.46Å; L218-L222 WeakPolarHBondContact O-CB 3.33Å; L218-L222 WeakPolarHBondContact O-CG 2.97Å; L218-L222 PolarHBondContact O-N 3.33Å; K219-L222 PolarHBondContact O-N 2.85Å; L222-W225 WeakPolarHBondContact O-CB 3.45Å; L222-W225 PolarHBondContact O-N 3.44Å; L222-H226 WeakPolarHBondContact O-CB 3.23Å; L222-H226 PolarHBondContact O-CD2 2.85Å; L222-H226 PolarHBondContact O-N 3.29Å
223	E	97.8	Very high	97.2	Very high	106 Å²	106	62.3 Å²	62.3	50%	0.495	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-45.7	174.4	-73.7	172.1	-176.5	0	0	111	K219 M220 H226 K227	K219-E223 WeakPolarHBondContact CE-OE1 3.42Å; K219-E223 WeakPolarHBondContact O-CG 3.28Å; K219-E223 PolarHBondContact O-N 3.29Å; M220-E223 PolarHBondContact O-N 3.31Å; E223-H226 PolarHBondContact O-N 3.45Å; E223-K227 PolarHBondContact O-N 3.31Å
224	S	97.7	Very high	97.2	Very high	19 Å²	19	62.1 Å²	62.1	13%	0.133	31%	0.308	C	S	.	.	H	α-helix	trans	-60.8	-47.7	175.4	-164.9	0	0	0	0	111.5	K215 M220 A221 H226 K227 Q228	K215-S224 VanDerWaalsContact CE-OG 3.23Å; K215-S224 WeakPolarHBondContact CE-OG 3.3Å; M220-S224 VanDerWaalsContact O-CB 3.31Å; M220-S224 WeakPolarHBondContact O-CB 3.44Å; M220-S224 PolarHBondContact O-N 2.94Å; A221-S224 PolarHBondContact O-N 3.26Å; S224-H226 PolarHBondContact O-N 2.94Å; S224-K227 PolarHBondContact O-N 3.03Å; S224-Q228 WeakPolarHBondContact O-CB 3.36Å; S224-Q228 VanDerWaalsContact O-CG 3.24Å; S224-Q228 WeakPolarHBondContact O-CG 3.41Å; S224-Q228 PolarHBondContact O-N 3.38Å; S224-Q228 PolarHBondContact OG-NE2 3.18Å
225	W	98.1	Very high	97.1	Very high	3 Å²	3	66 Å²	66	1%	0.011	32%	0.323	C	S	.	.	H	α-helix	trans	-53.2	-52.4	173.7	168.9	-93.9	0	0	0	110.9	L134 A137 L138 S148 A151 V152 I213 A221 L222 K227 Q228 V229 P240	L134-W225 HydrophobicContact CD1-CE3 3.94Å; L134-W225 HydrophobicContact CD1-CZ3 3.97Å; A137-W225 HydrophobicContact CB-CE3 4.46Å; A137-W225 HydrophobicContact CB-CH2 4.35Å; A137-W225 HydrophobicContact CB-CZ3 3.62Å; L138-W225 HydrophobicContact CD2-CH2 3.61Å; L138-W225 HydrophobicContact CD2-CZ2 4.17Å; L138-W225 HydrophobicContact CD2-CZ3 4.25Å; L138-W225 HydrophobicContact CG-CH2 4.02Å; L138-W225 HydrophobicContact CG-CZ3 4.24Å; S148-W225 PolarHBondContact OG-NE1 3.17Å; A151-W225 HydrophobicContact CB-CH2 3.97Å; A151-W225 HydrophobicContact CB-CZ2 4.21Å; A151-W225 HydrophobicContact CB-CZ3 4.5Å; V152-W225 HydrophobicContact CG2-CB 3.65Å; V152-W225 HydrophobicContact CG2-CD2 3.85Å; V152-W225 HydrophobicContact CG2-CE3 4.08Å; V152-W225 HydrophobicContact CG2-CG 3.69Å; I213-W225 HydrophobicContact CD1-CE3 4.14Å; I213-W225 HydrophobicContact CG1-CE3 4.22Å; A221-W225 WeakPolarHBondContact O-CB 3.4Å; A221-W225 PolarHBondContact O-N 3.21Å; L222-W225 WeakPolarHBondContact O-CB 3.45Å; L222-W225 PolarHBondContact O-N 3.44Å; W225-K227 VanDerWaalsContact C-N 3.34Å; W225-K227 PolarHBondContact O-N 2.96Å; W225-Q228 PolarHBondContact O-N 2.84Å; W225-V229 HydrophobicContact CD2-CG1 3.76Å; W225-V229 HydrophobicContact CE3-CG1 4.08Å; W225-V229 HydrophobicContact CG-CG1 4.25Å; W225-V229 HydrophobicContact CH2-CG1 4.21Å; W225-V229 HydrophobicContact CZ2-CG1 3.87Å; W225-V229 HydrophobicContact CZ3-CG1 4.28Å; W225-V229 VanDerWaalsContact O-CG1 3.28Å; W225-V229 WeakPolarHBondContact O-CG1 3.41Å; W225-V229 WeakPolarHBondContact O-CG2 3.34Å; W225-V229 PolarHBondContact O-N 3.38Å; W225-P240 HydrophobicContact CZ2-CB 4.38Å
226	H	97.2	Very high	96.9	Very high	88 Å²	88	65.2 Å²	65.2	41%	0.407	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-38.5	-178.4	-75.2	-52	0	0	0	113.5	L222 E223 S224 V229 I230	L222-H226 WeakPolarHBondContact O-CB 3.23Å; L222-H226 PolarHBondContact O-CD2 2.85Å; L222-H226 PolarHBondContact O-N 3.29Å; E223-H226 PolarHBondContact O-N 3.45Å; S224-H226 PolarHBondContact O-N 2.94Å; H226-V229 WeakPolarHBondContact O-CG2 3.38Å; H226-I230 WeakPolarHBondContact O-CD1 3.31Å; H226-I230 VanDerWaalsContact O-CG1 3.26Å; H226-I230 WeakPolarHBondContact O-CG1 3.4Å; H226-I230 PolarHBondContact O-N 3.33Å
227	K	97.6	Very high	96.7	Very high	170 Å²	170	64.1 Å²	64.1	74%	0.739	32%	0.323	S	S	*	.	H	α-helix	trans	-65.9	-47.9	175.3	-176.3	179.2	176	-178.9	0	111.3	E223 S224 W225 I230 K231	E223-K227 PolarHBondContact O-N 3.31Å; S224-K227 PolarHBondContact O-N 3.03Å; W225-K227 VanDerWaalsContact C-N 3.34Å; W225-K227 PolarHBondContact O-N 2.96Å; K227-I230 PolarHBondContact O-N 3.04Å; K227-K231 PolarHBondContact O-N 3.16Å; K227-K231 VanDerWaalsContact O-N 3.13Å
228	Q	97.9	Very high	96.7	Very high	31 Å²	31	62.6 Å²	62.6	15%	0.145	31%	0.313	C	S	.	.	H	α-helix	trans	-68.2	-45	-175.3	-72.2	175.5	18.9	0	0	112.5	L134 S224 W225 I230 K231 V232	L134-Q228 HydrophobicContact CD1-CB 4.02Å; L134-Q228 HydrophobicContact CD2-CB 3.79Å; L134-Q228 HydrophobicContact CG-CB 4.49Å; S224-Q228 WeakPolarHBondContact O-CB 3.36Å; S224-Q228 VanDerWaalsContact O-CG 3.24Å; S224-Q228 WeakPolarHBondContact O-CG 3.41Å; S224-Q228 PolarHBondContact O-N 3.38Å; S224-Q228 PolarHBondContact OG-NE2 3.18Å; W225-Q228 PolarHBondContact O-N 2.84Å; Q228-I230 VanDerWaalsContact C-N 3.27Å; Q228-I230 PolarHBondContact O-N 2.85Å; Q228-K231 WeakPolarHBondContact O-CA 3.45Å; Q228-K231 VanDerWaalsContact O-CB 3.32Å; Q228-K231 WeakPolarHBondContact O-CB 3.4Å; Q228-K231 PolarHBondContact O-N 3.26Å; Q228-V232 PolarHBondContact O-N 2.87Å
229	V	97.8	Very high	96.6	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-37.8	178.8	-62.8	0	0	0	0	111.9	L134 L138 W225 H226 V232 G233 L234 P240	L134-V229 HydrophobicContact CD1-CG1 3.97Å; L138-V229 HydrophobicContact CD2-CG1 4.15Å; W225-V229 HydrophobicContact CD2-CG1 3.76Å; W225-V229 HydrophobicContact CE3-CG1 4.08Å; W225-V229 HydrophobicContact CG-CG1 4.25Å; W225-V229 HydrophobicContact CH2-CG1 4.21Å; W225-V229 HydrophobicContact CZ2-CG1 3.87Å; W225-V229 HydrophobicContact CZ3-CG1 4.28Å; W225-V229 VanDerWaalsContact O-CG1 3.28Å; W225-V229 WeakPolarHBondContact O-CG1 3.41Å; W225-V229 WeakPolarHBondContact O-CG2 3.34Å; W225-V229 PolarHBondContact O-N 3.38Å; H226-V229 WeakPolarHBondContact O-CG2 3.38Å; V229-V232 VanDerWaalsContact O-CG2 3.26Å; V229-V232 WeakPolarHBondContact O-CG2 3.5Å; V229-V232 PolarHBondContact O-N 3.42Å; V229-G233 PolarHBondContact O-N 3.07Å; V229-L234 HydrophobicContact CB-CB 4.13Å; V229-L234 HydrophobicContact CB-CD1 4.14Å; V229-L234 HydrophobicContact CG1-CD1 4.4Å; V229-L234 WeakPolarHBondContact O-CA 3.14Å; V229-L234 VanDerWaalsContact O-CB 3.3Å; V229-L234 WeakPolarHBondContact O-CB 3.33Å; V229-L234 PolarHBondContact O-N 2.84Å; V229-P240 HydrophobicContact CB-CG 3.81Å; V229-P240 HydrophobicContact CG1-CG 4.27Å; V229-P240 HydrophobicContact CG2-CG 3.33Å
230	I	97.3	Very high	96.5	Very high	94 Å²	94	54.3 Å²	54.3	48%	0.482	28%	0.278	S	S	.	.	H	α-helix	trans	-65	-43.7	174.2	-69.8	170.6	0	0	0	110.5	H226 K227 Q228 V232 G233 K235	H226-I230 WeakPolarHBondContact O-CD1 3.31Å; H226-I230 VanDerWaalsContact O-CG1 3.26Å; H226-I230 WeakPolarHBondContact O-CG1 3.4Å; H226-I230 PolarHBondContact O-N 3.33Å; K227-I230 PolarHBondContact O-N 3.04Å; Q228-I230 VanDerWaalsContact C-N 3.27Å; Q228-I230 PolarHBondContact O-N 2.85Å; I230-V232 VanDerWaalsContact C-N 3.29Å; I230-V232 PolarHBondContact O-N 3.48Å; I230-G233 PolarHBondContact O-N 3.1Å; I230-G233 VanDerWaalsContact O-N 3.1Å; I230-K235 HydrophobicContact CG2-CB 4.39Å
231	K	97.2	Very high	96.4	Very high	134 Å²	134	52.8 Å²	52.8	58%	0.583	27%	0.269	S	S	*	.	H	α-helix	trans	-57.9	-40.8	178.7	-165.7	-169.5	-173.1	-164.7	0	111.9	E130 K227 Q228 G233	E130-K231 WeakPolarHBondContact OE1-CD 3.38Å; E130-K231 IonicContact OE1-NZ 3.91Å; E130-K231 PolarHBondContact OE1-NZ 2.95Å; E130-K231 IonicContact OE2-NZ 2.74Å; E130-K231 PolarHBondContact OE2-NZ 3.47Å; K227-K231 PolarHBondContact O-N 3.16Å; K227-K231 VanDerWaalsContact O-N 3.13Å; Q228-K231 WeakPolarHBondContact O-CA 3.45Å; Q228-K231 VanDerWaalsContact O-CB 3.32Å; Q228-K231 WeakPolarHBondContact O-CB 3.4Å; Q228-K231 PolarHBondContact O-N 3.26Å; K231-G233 VanDerWaalsContact C-N 3.27Å; K231-G233 PolarHBondContact O-N 2.91Å
232	V	98	Very high	96.3	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.018	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	0.6	180	-56.2	0	0	0	0	114	V123 K126 A127 L134 L138 Q228 V229 I230	V123-V232 HydrophobicContact CG1-CG2 3.96Å; K126-V232 HydrophobicContact CB-CB 3.93Å; K126-V232 HydrophobicContact CB-CG1 4.07Å; A127-V232 HydrophobicContact CB-CG1 4.24Å; L134-V232 HydrophobicContact CD2-CG1 3.9Å; L138-V232 HydrophobicContact CD1-CG2 4.41Å; Q228-V232 PolarHBondContact O-N 2.87Å; V229-V232 VanDerWaalsContact O-CG2 3.26Å; V229-V232 WeakPolarHBondContact O-CG2 3.5Å; V229-V232 PolarHBondContact O-N 3.42Å; I230-V232 VanDerWaalsContact C-N 3.29Å; I230-V232 PolarHBondContact O-N 3.48Å
233	G	97.2	Very high	96.3	Very high	18 Å²	18	50.9 Å²	50.9	19%	0.186	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	112.6	-4.1	172	0	0	0	0	0	115.7	V229 I230 K231 K235	V229-G233 PolarHBondContact O-N 3.07Å; I230-G233 PolarHBondContact O-N 3.1Å; I230-G233 VanDerWaalsContact O-N 3.1Å; K231-G233 VanDerWaalsContact C-N 3.27Å; K231-G233 PolarHBondContact O-N 2.91Å; G233-K235 VanDerWaalsContact C-N 3.34Å; G233-K235 PolarHBondContact O-N 2.8Å
234	L	97.5	Very high	96.2	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.235	C	C	.	.			trans	-81.2	78.2	178.8	-63.4	172.2	0	0	0	111.8	I115 V123 L138 V229 F238 P240 L243	I115-L234 HydrophobicContact CD1-CD2 3.67Å; V123-L234 HydrophobicContact CG1-CD1 3.89Å; V123-L234 HydrophobicContact CG1-CD2 4.16Å; V123-L234 HydrophobicContact CG1-CG 3.82Å; V123-L234 HydrophobicContact CG2-CD2 3.89Å; V123-L234 HydrophobicContact CG2-CG 4.04Å; L138-L234 HydrophobicContact CD2-CD1 3.49Å; L138-L234 VanDerWaalsContact CD2-CD1 3.49Å; V229-L234 HydrophobicContact CB-CB 4.13Å; V229-L234 HydrophobicContact CB-CD1 4.14Å; V229-L234 HydrophobicContact CG1-CD1 4.4Å; V229-L234 WeakPolarHBondContact O-CA 3.14Å; V229-L234 VanDerWaalsContact O-CB 3.3Å; V229-L234 WeakPolarHBondContact O-CB 3.33Å; V229-L234 PolarHBondContact O-N 2.84Å; L234-F238 CarbonylContact C-O 3.59Å; L234-F238 WeakPolarHBondContact CA-O 3.44Å; L234-P240 HydrophobicContact CB-CG 4.21Å; L234-L243 HydrophobicContact CD1-CD1 4.46Å
235	K	94.7	Very high	96.2	Very high	137 Å²	137	45.5 Å²	45.5	60%	0.596	23%	0.231	S	C	*	.			trans	-138	160.9	179.9	65.8	-177.5	-178.4	-179.6	0	112.3	I230 G233 E237 F238	I230-K235 HydrophobicContact CG2-CB 4.39Å; G233-K235 VanDerWaalsContact C-N 3.34Å; G233-K235 PolarHBondContact O-N 2.8Å; K235-E237 PolarHBondContact O-N 3.4Å; K235-F238 PolarHBondContact N-O 3.03Å; K235-F238 CarbonylContact O-C 3.48Å; K235-F238 PolarHBondContact O-N 3.32Å
236	G	91.6	Very high	96.1	Very high	61 Å²	61	45.5 Å²	45.5	63%	0.629	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	-125.1	176.3	0	0	0	0	0	113.1	F238	G236-F238 VanDerWaalsContact C-N 3.28Å; G236-F238 PolarHBondContact O-N 2.96Å
237	E	91.9	Very high	96.1	Very high	74 Å²	74	41.3 Å²	41.3	35%	0.346	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-34.3	179.8	-179.5	165.4	-131	0	0	113	R112 R113 K235 S242	R112-E237 VanDerWaalsContact CA-O 3.32Å; R112-E237 WeakPolarHBondContact CA-O 3.16Å; R113-E237 HydrophobicContact CB-CG 4.2Å; R113-E237 VanDerWaalsContact CD-OE1 3.3Å; R113-E237 WeakPolarHBondContact CD-OE1 3.24Å; R113-E237 HydrophobicContact CG-CG 3.87Å; R113-E237 WeakPolarHBondContact CG-OE1 3.43Å; R113-E237 IonicContact CZ-OE1 3.21Å; R113-E237 PolarHBondContact N-O 3.05Å; R113-E237 IonicContact NE-OE1 3.44Å; R113-E237 PolarHBondContact NE-OE1 3.03Å; R113-E237 IonicContact NH2-OE1 3.99Å; R113-E237 PolarHBondContact NH2-OE1 2.85Å; R113-E237 IonicContact NH2-OE2 2.68Å; K235-E237 PolarHBondContact O-N 3.4Å; E237-S242 PolarHBondContact O-OG 3.02Å
238	F	94.7	Very high	96	Very high	45 Å²	45	33.2 Å²	33.2	20%	0.197	18%	0.177	C	C	.	.	S	Bend	trans	-106.2	71.3	177.4	-63	-68.7	0	0	0	110.2	R113 A114 I115 T116 H119 L234 K235 G236 S242	R113-F238 HydrophobicContact CB-CE1 4.3Å; A114-F238 WeakPolarHBondContact O-CE1 3.25Å; I115-F238 HydrophobicContact CG1-CD1 4.41Å; T116-F238 HydrophobicContact CG2-CE1 4.32Å; T116-F238 HydrophobicContact CG2-CZ 4.36Å; H119-F238 VanDerWaalsContact CE1-CB 3.43Å; H119-F238 WeakPolarHBondContact CE1-CB 3.34Å; H119-F238 AromaticContact CE1-CD2 3.45Å; H119-F238 VanDerWaalsContact CE1-CD2 3.45Å; H119-F238 WeakPolarHBondContact CE1-CD2 3.39Å; H119-F238 AromaticContact CE1-CG 3.57Å; H119-F238 AromaticContact ND1-CD1 3.86Å; H119-F238 AromaticContact ND1-CD2 3.23Å; H119-F238 WeakPolarHBondContact ND1-CD2 3.18Å; H119-F238 AromaticContact ND1-CE2 3.77Å; H119-F238 AromaticContact ND1-CG 3.26Å; H119-F238 VanDerWaalsContact ND1-CG 3.26Å; H119-F238 WeakPolarHBondContact ND1-CG 3.47Å; L234-F238 CarbonylContact C-O 3.59Å; L234-F238 WeakPolarHBondContact CA-O 3.44Å; K235-F238 PolarHBondContact N-O 3.03Å; K235-F238 CarbonylContact O-C 3.48Å; K235-F238 PolarHBondContact O-N 3.32Å; G236-F238 VanDerWaalsContact C-N 3.28Å; G236-F238 PolarHBondContact O-N 2.96Å; F238-S242 WeakPolarHBondContact CA-OG 3.43Å
239	S	94.3	Very high	96	Very high	15 Å²	15	33.2 Å²	33.2	11%	0.105	18%	0.177	C	C	.	.			trans	-86.6	176.9	-179.8	100.8	0	0	0	0	111.2	R112 H241 S242	R112-S239 WeakPolarHBondContact CD-OG 3.42Å; R112-S239 PolarHBondContact NE-OG 3.47Å; S239-H241 PolarHBondContact O-N 3.2Å; S239-H241 PolarHBondContact OG-N 2.83Å; S239-S242 PolarHBondContact N-OG 3.21Å; S239-S242 WeakPolarHBondContact O-CA 3.37Å; S239-S242 WeakPolarHBondContact O-CB 3.37Å; S239-S242 PolarHBondContact O-N 3.48Å; S239-S242 PolarHBondContact O-OG 3.5Å
240	P	95.2	Very high	95.9	Very high	18 Å²	18	35.2 Å²	35.2	12%	0.117	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.2	175.1	-26.9	35.2	0	0	0	113.6	W225 V229 L234 S242 L243	W225-P240 HydrophobicContact CZ2-CB 4.38Å; V229-P240 HydrophobicContact CB-CG 3.81Å; V229-P240 HydrophobicContact CG1-CG 4.27Å; V229-P240 HydrophobicContact CG2-CG 3.33Å; L234-P240 HydrophobicContact CB-CG 4.21Å; P240-S242 PolarHBondContact O-N 2.79Å; P240-L243 WeakPolarHBondContact O-CB 3.47Å; P240-L243 PolarHBondContact O-N 2.92Å
241	H	95.2	Very high	95.9	Very high	50 Å²	50	30.8 Å²	30.8	23%	0.231	17%	0.165	C	C	.	.	H	α-helix	trans	-70.9	-16	177.2	-154.9	61.1	0	0	0	112.6	S239 L243 R244 Y245	S239-H241 PolarHBondContact O-N 3.2Å; S239-H241 PolarHBondContact OG-N 2.83Å; H241-L243 VanDerWaalsContact C-N 3.27Å; H241-L243 PolarHBondContact O-N 2.99Å; H241-R244 WeakPolarHBondContact CE1-CD 3.34Å; H241-R244 VanDerWaalsContact O-CB 3.31Å; H241-R244 WeakPolarHBondContact O-CB 3.18Å; H241-R244 PolarHBondContact O-N 3.19Å; H241-R244 VanDerWaalsContact O-N 3.17Å; H241-Y245 AromaticContact CD2-CE2 3.4Å; H241-Y245 VanDerWaalsContact CD2-CE2 3.4Å; H241-Y245 WeakPolarHBondContact CD2-CE2 3.34Å; H241-Y245 AromaticContact NE2-CE2 3.88Å; H241-Y245 WeakPolarHBondContact O-CD2 3.46Å; H241-Y245 PolarHBondContact O-N 3.3Å; H241-Y245 VanDerWaalsContact O-N 3.14Å
242	S	96	Very high	95.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.7	-24.7	174.3	-63.7	0	0	0	0	113.3	R113 I115 E237 F238 S239 P240 R244 Y245 A246	R113-S242 WeakPolarHBondContact O-CA 3.31Å; R113-S242 WeakPolarHBondContact O-CB 3.43Å; R113-S242 PolarHBondContact O-OG 2.69Å; I115-S242 PolarHBondContact N-O 2.87Å; E237-S242 PolarHBondContact O-OG 3.02Å; F238-S242 WeakPolarHBondContact CA-OG 3.43Å; S239-S242 PolarHBondContact N-OG 3.21Å; S239-S242 WeakPolarHBondContact O-CA 3.37Å; S239-S242 WeakPolarHBondContact O-CB 3.37Å; S239-S242 PolarHBondContact O-N 3.48Å; S239-S242 PolarHBondContact O-OG 3.5Å; P240-S242 PolarHBondContact O-N 2.79Å; S242-R244 VanDerWaalsContact C-N 3.32Å; S242-Y245 WeakPolarHBondContact O-CB 3.29Å; S242-Y245 PolarHBondContact O-N 2.83Å; S242-A246 PolarHBondContact O-N 3.13Å
243	L	97.5	Very high	95.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-43.6	169.4	-57.8	-180	0	0	0	110.8	I115 Y120 L138 A141 R142 L234 P240 H241 Y245 A246 W247	I115-L243 HydrophobicContact CD1-CD2 4.07Å; I115-L243 HydrophobicContact CG2-CD2 3.86Å; Y120-L243 HydrophobicContact CD2-CD2 3.75Å; Y120-L243 HydrophobicContact CE2-CD2 3.95Å; L138-L243 HydrophobicContact CD2-CD1 3.65Å; A141-L243 HydrophobicContact CB-CD1 4.15Å; R142-L243 HydrophobicContact CB-CB 4.34Å; R142-L243 HydrophobicContact CB-CD2 4.29Å; L234-L243 HydrophobicContact CD1-CD1 4.46Å; P240-L243 WeakPolarHBondContact O-CB 3.47Å; P240-L243 PolarHBondContact O-N 2.92Å; H241-L243 VanDerWaalsContact C-N 3.27Å; H241-L243 PolarHBondContact O-N 2.99Å; L243-Y245 VanDerWaalsContact C-N 3.29Å; L243-Y245 PolarHBondContact O-N 3.25Å; L243-A246 PolarHBondContact O-N 3.45Å; L243-W247 PolarHBondContact O-N 2.96Å
244	R	96.5	Very high	95.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.8	-32.7	175.3	-170.4	-171.1	-172.1	76.1	15	111.9	G145 L146 E150 H241 S242 A248 L273 Y287	G145-R244 VanDerWaalsContact O-CZ 3.28Å; G145-R244 PolarHBondContact O-NH1 3.35Å; L146-R244 VanDerWaalsContact C-NH1 3.26Å; E150-R244 IonicContact OE2-NH1 3.66Å; H241-R244 WeakPolarHBondContact CE1-CD 3.34Å; H241-R244 VanDerWaalsContact O-CB 3.31Å; H241-R244 WeakPolarHBondContact O-CB 3.18Å; H241-R244 PolarHBondContact O-N 3.19Å; H241-R244 VanDerWaalsContact O-N 3.17Å; S242-R244 VanDerWaalsContact C-N 3.32Å; R244-A248 WeakPolarHBondContact O-CB 3.44Å; R244-A248 PolarHBondContact O-N 2.91Å; R244-L273 HydrophobicContact CG-CD2 3.75Å; R244-L273 VanDerWaalsContact CZ-CD2 3.49Å; R244-L273 VanDerWaalsContact NH2-CD2 3.32Å; R244-L273 PolarHBondContact NH2-O 3.27Å; R244-Y287 HydrophobicContact CG-CE1 4.33Å; R244-Y287 PolarHBondContact NE-OH 3.35Å
245	Y	95.7	Very high	95.7	Very high	11 Å²	11	31.4 Å²	31.4	4%	0.043	16%	0.16	C	C	.	.	H	α-helix	trans	-66.4	-46	174.5	-81.8	-135.1	0	0	0	111.1	R112 A114 H241 S242 L243 W247 A248 Q249 V286 Y287	R112-Y245 HydrophobicContact CB-CE1 4.13Å; R112-Y245 WeakPolarHBondContact O-CE1 3.25Å; A114-Y245 VanDerWaalsContact CA-CB 3.49Å; H241-Y245 AromaticContact CD2-CE2 3.4Å; H241-Y245 VanDerWaalsContact CD2-CE2 3.4Å; H241-Y245 WeakPolarHBondContact CD2-CE2 3.34Å; H241-Y245 AromaticContact NE2-CE2 3.88Å; H241-Y245 WeakPolarHBondContact O-CD2 3.46Å; H241-Y245 PolarHBondContact O-N 3.3Å; H241-Y245 VanDerWaalsContact O-N 3.14Å; S242-Y245 WeakPolarHBondContact O-CB 3.29Å; S242-Y245 PolarHBondContact O-N 2.83Å; L243-Y245 VanDerWaalsContact C-N 3.29Å; L243-Y245 PolarHBondContact O-N 3.25Å; Y245-W247 PolarHBondContact O-N 3.01Å; Y245-A248 PolarHBondContact O-N 3.18Å; Y245-Q249 WeakPolarHBondContact O-CG 3.28Å; Y245-Q249 PolarHBondContact O-N 3.15Å; Y245-V286 HydrophobicContact CE1-CG1 4.33Å; Y245-V286 WeakPolarHBondContact CE1-O 3.4Å; Y245-V286 HydrophobicContact CE2-CG1 4.5Å; Y245-V286 WeakPolarHBondContact OH-CG1 3.41Å; Y245-Y287 HydrophobicContact CD1-CD1 4.07Å; Y245-Y287 AromaticContact CD2-CD1 3.23Å; Y245-Y287 HydrophobicContact CD2-CD1 3.23Å; Y245-Y287 AromaticContact CD2-CE1 3.22Å; Y245-Y287 HydrophobicContact CD2-CE1 3.22Å; Y245-Y287 HydrophobicContact CE1-CD1 4.32Å; Y245-Y287 AromaticContact CE2-CD1 3.45Å; Y245-Y287 HydrophobicContact CE2-CD1 3.45Å; Y245-Y287 VanDerWaalsContact CE2-CD1 3.45Å; Y245-Y287 AromaticContact CE2-CE1 3.25Å; Y245-Y287 HydrophobicContact CE2-CE1 3.25Å; Y245-Y287 AromaticContact CG-CD1 3.54Å; Y245-Y287 HydrophobicContact CG-CD1 3.54Å; Y245-Y287 HydrophobicContact CG-CE1 4.02Å
246	A	96.4	Very high	95.8	Very high	3 Å²	3	27.9 Å²	27.9	3%	0.025	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-46.5	176.6	0	0	0	0	0	111.1	A114 I115 R142 S242 L243 A248 Q249 D250	A114-A246 HydrophobicContact CB-CB 4.1Å; I115-A246 HydrophobicContact CG2-CB 3.88Å; R142-A246 VanDerWaalsContact CZ-CB 3.5Å; S242-A246 PolarHBondContact O-N 3.13Å; L243-A246 PolarHBondContact O-N 3.45Å; A246-A248 VanDerWaalsContact C-N 3.32Å; A246-A248 PolarHBondContact O-N 3.09Å; A246-Q249 PolarHBondContact O-N 3.31Å; A246-D250 VanDerWaalsContact O-CG 3.29Å; A246-D250 PolarHBondContact O-N 3.23Å
247	W	97.5	Very high	96.1	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-57.5	-42.7	174	-176.6	86.7	0	0	0	112.9	L143 G145 T186 L243 Y245 Q249 D250 A251 T269 D272 L273	L143-W247 VanDerWaalsContact C-CD1 3.46Å; L143-W247 PolarHBondContact O-NE1 2.95Å; G145-W247 VanDerWaalsContact N-CD1 3.34Å; G145-W247 VanDerWaalsContact N-CG 3.31Å; T186-W247 WeakPolarHBondContact OG1-CZ2 3.37Å; L243-W247 PolarHBondContact O-N 2.96Å; Y245-W247 PolarHBondContact O-N 3.01Å; W247-Q249 VanDerWaalsContact C-N 3.3Å; W247-Q249 PolarHBondContact O-N 2.99Å; W247-D250 PolarHBondContact O-N 3.01Å; W247-A251 HydrophobicContact CE3-CB 4.23Å; W247-A251 HydrophobicContact CH2-CB 3.78Å; W247-A251 HydrophobicContact CZ2-CB 4.14Å; W247-A251 HydrophobicContact CZ3-CB 3.85Å; W247-A251 WeakPolarHBondContact O-CB 3.3Å; W247-A251 PolarHBondContact O-N 3.16Å; W247-T269 HydrophobicContact CZ3-CG2 4.48Å; W247-D272 HydrophobicContact CH2-CB 3.57Å; W247-D272 HydrophobicContact CZ3-CB 4.21Å; W247-L273 HydrophobicContact CE3-CD2 3.65Å; W247-L273 HydrophobicContact CE3-CG 4.37Å; W247-L273 HydrophobicContact CZ3-CD2 3.61Å; W247-L273 HydrophobicContact CZ3-CG 3.87Å
248	A	96.8	Very high	96.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.4	-37.2	179.7	0	0	0	0	0	112	R244 Y245 A246 A251 I252 T269 L273 Y287	R244-A248 WeakPolarHBondContact O-CB 3.44Å; R244-A248 PolarHBondContact O-N 2.91Å; Y245-A248 PolarHBondContact O-N 3.18Å; A246-A248 VanDerWaalsContact C-N 3.32Å; A246-A248 PolarHBondContact O-N 3.09Å; A248-A251 PolarHBondContact O-N 3.42Å; A248-I252 WeakPolarHBondContact O-CD1 3.27Å; A248-I252 VanDerWaalsContact O-CG1 3.22Å; A248-I252 WeakPolarHBondContact O-CG1 3.5Å; A248-I252 PolarHBondContact O-N 3.42Å; A248-I252 VanDerWaalsContact O-N 3.07Å; A248-T269 HydrophobicContact CB-CG2 4.11Å; A248-L273 HydrophobicContact CB-CD1 3.91Å; A248-L273 HydrophobicContact CB-CD2 4.48Å; A248-Y287 HydrophobicContact CB-CD1 3.96Å; A248-Y287 HydrophobicContact CB-CD2 4.44Å; A248-Y287 HydrophobicContact CB-CG 3.84Å
249	Q	95.8	Very high	96.4	Very high	31 Å²	31	31.9 Å²	31.9	15%	0.145	18%	0.184	C	C	.	.	H	α-helix	trans	-68	-40.3	175.1	-67.8	-179	0.7	0	0	111.7	Y245 A246 W247 I252 R253 Y287	Y245-Q249 WeakPolarHBondContact O-CG 3.28Å; Y245-Q249 PolarHBondContact O-N 3.15Å; A246-Q249 PolarHBondContact O-N 3.31Å; W247-Q249 VanDerWaalsContact C-N 3.3Å; W247-Q249 PolarHBondContact O-N 2.99Å; Q249-I252 PolarHBondContact O-N 3.47Å; Q249-R253 PolarHBondContact O-N 2.91Å; Q249-R253 VanDerWaalsContact O-N 3.07Å; Q249-Y287 WeakPolarHBondContact CG-O 3.36Å; Q249-Y287 PolarHBondContact NE2-O 3.03Å
250	D	96.5	Very high	96.5	Very high	43 Å²	43	34.8 Å²	34.8	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-43.3	174.3	-60.1	-25.2	0	0	0	111.6	R142 L189 A246 W247 I252 R253 H254	R142-D250 IonicContact CZ-OD2 2.71Å; R142-D250 IonicContact NH1-OD2 3.35Å; R142-D250 PolarHBondContact NH1-OD2 3.21Å; R142-D250 IonicContact NH2-OD1 2.92Å; R142-D250 IonicContact NH2-OD2 3.68Å; R142-D250 PolarHBondContact NH2-OD2 3.16Å; L189-D250 HydrophobicContact CD1-CB 3.62Å; A246-D250 VanDerWaalsContact O-CG 3.29Å; A246-D250 PolarHBondContact O-N 3.23Å; W247-D250 PolarHBondContact O-N 3.01Å; D250-I252 PolarHBondContact O-N 3.31Å; D250-R253 PolarHBondContact O-N 3.22Å; D250-R253 IonicContact OD1-CZ 3.48Å; D250-R253 IonicContact OD1-NE 3.84Å; D250-R253 IonicContact OD1-NH2 2.66Å; D250-R253 PolarHBondContact OD1-NH2 3.36Å; D250-H254 WeakPolarHBondContact O-CB 3.37Å; D250-H254 PolarHBondContact O-N 3.21Å
251	A	97.1	Very high	96.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-42.6	178	0	0	0	0	0	111.9	L189 W247 A248 R253 H254 Y255 T269	L189-A251 HydrophobicContact CD1-CB 4.16Å; L189-A251 HydrophobicContact CD2-CB 4.31Å; W247-A251 HydrophobicContact CE3-CB 4.23Å; W247-A251 HydrophobicContact CH2-CB 3.78Å; W247-A251 HydrophobicContact CZ2-CB 4.14Å; W247-A251 HydrophobicContact CZ3-CB 3.85Å; W247-A251 WeakPolarHBondContact O-CB 3.3Å; W247-A251 PolarHBondContact O-N 3.16Å; A248-A251 PolarHBondContact O-N 3.42Å; A251-R253 PolarHBondContact O-N 2.85Å; A251-H254 WeakPolarHBondContact O-CB 3.43Å; A251-H254 PolarHBondContact O-N 2.86Å; A251-Y255 HydrophobicContact CB-CE2 4.26Å; A251-Y255 WeakPolarHBondContact O-CD2 3.49Å; A251-Y255 PolarHBondContact O-N 3.04Å; A251-T269 HydrophobicContact CB-CG2 4.17Å
252	I	96.3	Very high	96.6	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-45.2	175.9	-61.9	158.9	0	0	0	110.4	A248 Q249 D250 H254 Y255 L256 L266 T269 V283 W291	A248-I252 WeakPolarHBondContact O-CD1 3.27Å; A248-I252 VanDerWaalsContact O-CG1 3.22Å; A248-I252 WeakPolarHBondContact O-CG1 3.5Å; A248-I252 PolarHBondContact O-N 3.42Å; A248-I252 VanDerWaalsContact O-N 3.07Å; Q249-I252 PolarHBondContact O-N 3.47Å; D250-I252 PolarHBondContact O-N 3.31Å; I252-H254 VanDerWaalsContact C-N 3.32Å; I252-H254 PolarHBondContact O-N 3.37Å; I252-Y255 PolarHBondContact O-N 3.33Å; I252-L256 HydrophobicContact CG2-CD1 3.92Å; I252-L256 HydrophobicContact CG2-CG 4.37Å; I252-L256 WeakPolarHBondContact O-CB 3.48Å; I252-L256 VanDerWaalsContact O-CG 3.29Å; I252-L256 WeakPolarHBondContact O-CG 3.36Å; I252-L256 PolarHBondContact O-N 3.35Å; I252-L266 HydrophobicContact CD1-CD2 3.95Å; I252-L266 HydrophobicContact CG1-CD2 4.28Å; I252-T269 HydrophobicContact CG1-CG2 4Å; I252-T269 WeakPolarHBondContact CG1-OG1 3.47Å; I252-V283 HydrophobicContact CD1-CG1 4.06Å; I252-W291 HydrophobicContact CB-CH2 4.5Å; I252-W291 HydrophobicContact CB-CZ3 4.15Å; I252-W291 HydrophobicContact CG2-CH2 3.93Å; I252-W291 HydrophobicContact CG2-CZ3 3.58Å
253	R	95.9	Very high	96.6	Very high	105 Å²	105	47.2 Å²	47.2	40%	0.396	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-42.8	175.7	-76.1	-174.6	-78.4	-107.6	2.2	112	Q249 D250 A251 L256 A257 W291	Q249-R253 PolarHBondContact O-N 2.91Å; Q249-R253 VanDerWaalsContact O-N 3.07Å; D250-R253 PolarHBondContact O-N 3.22Å; D250-R253 IonicContact OD1-CZ 3.48Å; D250-R253 IonicContact OD1-NE 3.84Å; D250-R253 IonicContact OD1-NH2 2.66Å; D250-R253 PolarHBondContact OD1-NH2 3.36Å; A251-R253 PolarHBondContact O-N 2.85Å; R253-L256 PolarHBondContact O-N 3.05Å; R253-A257 WeakPolarHBondContact O-CB 3.49Å; R253-A257 PolarHBondContact O-N 3.41Å; R253-W291 HydrophobicContact CG-CH2 3.78Å; R253-W291 HydrophobicContact CG-CZ2 3.69Å
254	H	96.9	Very high	96.5	Very high	50 Å²	50	51.8 Å²	51.8	23%	0.231	28%	0.276	C	S	.	.	H	α-helix	trans	-59.9	-48.3	178.7	178.2	87.3	0	0	0	111.9	L189 D250 A251 I252 A257 Q258	L189-H254 HydrophobicContact CD2-CB 3.96Å; D250-H254 WeakPolarHBondContact O-CB 3.37Å; D250-H254 PolarHBondContact O-N 3.21Å; A251-H254 WeakPolarHBondContact O-CB 3.43Å; A251-H254 PolarHBondContact O-N 2.86Å; I252-H254 VanDerWaalsContact C-N 3.32Å; I252-H254 PolarHBondContact O-N 3.37Å; H254-A257 PolarHBondContact O-N 3.3Å; H254-Q258 PolarHBondContact CE1-NE2 3.13Å; H254-Q258 PolarHBondContact NE2-NE2 3.3Å; H254-Q258 WeakPolarHBondContact O-CG 3.39Å; H254-Q258 PolarHBondContact O-N 2.79Å; H254-Q258 VanDerWaalsContact O-N 3.14Å
255	Y	97.1	Very high	96.6	Very high	11 Å²	11	51.8 Å²	51.8	4%	0.043	28%	0.276	C	S	.	.	H	α-helix	trans	-68.1	-39.1	178.4	-63.7	-51.1	0	0	0	112.7	T187 A251 I252 A257 Q258 G259 F260 S265 L268 D272	T187-Y255 WeakPolarHBondContact CB-OH 3.33Å; T187-Y255 PolarHBondContact OG1-OH 3.28Å; A251-Y255 HydrophobicContact CB-CE2 4.26Å; A251-Y255 WeakPolarHBondContact O-CD2 3.49Å; A251-Y255 PolarHBondContact O-N 3.04Å; I252-Y255 PolarHBondContact O-N 3.33Å; Y255-A257 VanDerWaalsContact C-N 3.29Å; Y255-A257 PolarHBondContact O-N 3.17Å; Y255-Q258 WeakPolarHBondContact O-CB 2.92Å; Y255-Q258 PolarHBondContact O-N 3.44Å; Y255-Q258 VanDerWaalsContact O-N 3.08Å; Y255-G259 PolarHBondContact O-N 3.18Å; Y255-F260 HydrophobicContact CD1-CD2 4.12Å; Y255-F260 HydrophobicContact CD1-CE2 4.17Å; Y255-F260 HydrophobicContact CG-CD2 4.44Å; Y255-F260 WeakPolarHBondContact O-CB 3.44Å; Y255-F260 WeakPolarHBondContact O-CD2 3.46Å; Y255-F260 PolarHBondContact O-N 3.44Å; Y255-S265 WeakPolarHBondContact CB-OG 3.47Å; Y255-L268 HydrophobicContact CD1-CB 4.46Å; Y255-L268 HydrophobicContact CD1-CD1 3.75Å; Y255-L268 HydrophobicContact CD2-CB 3.76Å; Y255-L268 HydrophobicContact CD2-CD1 4.29Å; Y255-L268 HydrophobicContact CE1-CB 4.25Å; Y255-L268 HydrophobicContact CE1-CD1 4.02Å; Y255-L268 HydrophobicContact CE2-CB 3.5Å; Y255-L268 HydrophobicContact CG-CB 4.24Å; Y255-L268 HydrophobicContact CG-CD1 3.9Å; Y255-D272 PolarHBondContact OH-OD2 3.13Å
256	L	96.8	Very high	96.6	Very high	62 Å²	62	52 Å²	52	33%	0.325	28%	0.278	S	S	.	.	H	α-helix	trans	-60.5	-40.9	173.9	-72.4	171.1	0	0	0	111.5	I252 R253 Q258 G259 S265 W291	I252-L256 HydrophobicContact CG2-CD1 3.92Å; I252-L256 HydrophobicContact CG2-CG 4.37Å; I252-L256 WeakPolarHBondContact O-CB 3.48Å; I252-L256 VanDerWaalsContact O-CG 3.29Å; I252-L256 WeakPolarHBondContact O-CG 3.36Å; I252-L256 PolarHBondContact O-N 3.35Å; R253-L256 PolarHBondContact O-N 3.05Å; L256-Q258 PolarHBondContact O-N 2.89Å; L256-G259 PolarHBondContact O-N 3.06Å; L256-S265 PolarHBondContact N-OG 3.46Å; L256-W291 HydrophobicContact CD1-CH2 3.84Å
257	A	97.1	Very high	96.6	Very high	90 Å²	90	53 Å²	53	74%	0.744	29%	0.286	S	S	*	.	H	α-helix	trans	-66.4	-23.6	176.5	0	0	0	0	0	113.1	R253 H254 Y255 G259	R253-A257 WeakPolarHBondContact O-CB 3.49Å; R253-A257 PolarHBondContact O-N 3.41Å; H254-A257 PolarHBondContact O-N 3.3Å; Y255-A257 VanDerWaalsContact C-N 3.29Å; Y255-A257 PolarHBondContact O-N 3.17Å; A257-G259 VanDerWaalsContact C-N 3.27Å
258	Q	96.6	Very high	96.6	Very high	105 Å²	105	55.6 Å²	55.6	49%	0.491	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	0	172.6	-72.7	176.6	-15.4	0	0	113.6	H254 Y255 L256 F260	H254-Q258 PolarHBondContact CE1-NE2 3.13Å; H254-Q258 PolarHBondContact NE2-NE2 3.3Å; H254-Q258 WeakPolarHBondContact O-CG 3.39Å; H254-Q258 PolarHBondContact O-N 2.79Å; H254-Q258 VanDerWaalsContact O-N 3.14Å; Y255-Q258 WeakPolarHBondContact O-CB 2.92Å; Y255-Q258 PolarHBondContact O-N 3.44Å; Y255-Q258 VanDerWaalsContact O-N 3.08Å; L256-Q258 PolarHBondContact O-N 2.89Å; Q258-F260 HydrophobicContact CB-CD2 3.91Å; Q258-F260 HydrophobicContact CB-CE2 3.99Å
259	G	97.5	Very high	96.6	Very high	69 Å²	69	55.6 Å²	55.6	71%	0.711	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	6.4	177.9	0	0	0	0	0	114.9	Y255 L256 A257	Y255-G259 PolarHBondContact O-N 3.18Å; L256-G259 PolarHBondContact O-N 3.06Å; A257-G259 VanDerWaalsContact C-N 3.27Å
260	F	97.1	Very high	96.6	Very high	77 Å²	77	54.1 Å²	54.1	34%	0.338	29%	0.293	S	S	.	.			trans	-66.1	146.7	172.4	-70.7	-76	0	0	0	111	Y255 Q258 E264 S265 L268	Y255-F260 HydrophobicContact CD1-CD2 4.12Å; Y255-F260 HydrophobicContact CD1-CE2 4.17Å; Y255-F260 HydrophobicContact CG-CD2 4.44Å; Y255-F260 WeakPolarHBondContact O-CB 3.44Å; Y255-F260 WeakPolarHBondContact O-CD2 3.46Å; Y255-F260 PolarHBondContact O-N 3.44Å; Q258-F260 HydrophobicContact CB-CD2 3.91Å; Q258-F260 HydrophobicContact CB-CE2 3.99Å; F260-E264 HydrophobicContact CB-CB 4.1Å; F260-E264 HydrophobicContact CD1-CB 4.06Å; F260-E264 HydrophobicContact CG-CB 4.48Å; F260-S265 WeakPolarHBondContact CB-OG 3.23Å; F260-L268 HydrophobicContact CD1-CD1 3.94Å; F260-L268 HydrophobicContact CD2-CD1 4.02Å; F260-L268 HydrophobicContact CE1-CD1 3.96Å; F260-L268 HydrophobicContact CE2-CD1 4.04Å; F260-L268 HydrophobicContact CG-CD1 3.98Å; F260-L268 HydrophobicContact CZ-CD1 4.01Å
261	S	96.7	Very high	96.6	Very high	53 Å²	53	54.7 Å²	54.7	37%	0.371	30%	0.298	S	S	.	.			trans	-62	162.2	170.7	66.5	0	0	0	0	111.5	K263 E264 S265	S261-K263 PolarHBondContact O-N 3.18Å; S261-E264 WeakPolarHBondContact CB-OE2 3.4Å; S261-E264 PolarHBondContact N-OE2 3.3Å; S261-E264 PolarHBondContact O-N 3.36Å; S261-E264 WeakPolarHBondContact OG-CB 3.45Å; S261-E264 VanDerWaalsContact OG-CG 3.3Å; S261-E264 WeakPolarHBondContact OG-CG 3.39Å; S261-E264 PolarHBondContact OG-N 3.41Å; S261-E264 PolarHBondContact OG-OE2 3.26Å; S261-S265 WeakPolarHBondContact O-CB 3.47Å; S261-S265 PolarHBondContact O-N 2.99Å; S261-S265 PolarHBondContact O-OG 3.1Å
262	E	95.2	Very high	96.6	Very high	100 Å²	100	54.7 Å²	54.7	47%	0.467	30%	0.298	S	S	.	.	H	α-helix	trans	-56.5	-41.1	174.1	-169.2	-170	179.8	0	0	111	S265 L266 K284	E262-S265 PolarHBondContact O-N 3.44Å; E262-L266 HydrophobicContact CG-CD1 4.05Å; E262-L266 HydrophobicContact CG-CG 4.49Å; E262-L266 WeakPolarHBondContact O-CB 3.18Å; E262-L266 WeakPolarHBondContact O-CD1 3.31Å; E262-L266 WeakPolarHBondContact O-CG 3.25Å; E262-L266 PolarHBondContact O-N 2.66Å; E262-K284 VanDerWaalsContact OE1-CE 3.26Å; E262-K284 WeakPolarHBondContact OE1-CE 3.47Å; E262-K284 IonicContact OE1-NZ 3.93Å; E262-K284 PolarHBondContact OE1-NZ 2.88Å; E262-K284 IonicContact OE2-NZ 2.83Å; E262-K284 PolarHBondContact OE2-NZ 3.35Å
263	K	95.6	Very high	96.6	Very high	176 Å²	176	54.5 Å²	54.5	77%	0.765	30%	0.297	S	S	*	.	H	α-helix	trans	-62.7	-46.2	-179.9	-173.9	-179.2	176.4	-173.8	0	111.6	S261 A267	S261-K263 PolarHBondContact O-N 3.18Å; K263-A267 WeakPolarHBondContact O-CB 3.5Å; K263-A267 PolarHBondContact O-N 2.94Å
264	E	96.5	Very high	96.5	Very high	97 Å²	97	51.3 Å²	51.3	45%	0.453	30%	0.297	S	S	.	.	H	α-helix	trans	-67.4	-45.6	178	-72.4	166.1	123.9	0	0	111.6	F260 S261 L266 A267 L268	F260-E264 HydrophobicContact CB-CB 4.1Å; F260-E264 HydrophobicContact CD1-CB 4.06Å; F260-E264 HydrophobicContact CG-CB 4.48Å; S261-E264 WeakPolarHBondContact CB-OE2 3.4Å; S261-E264 PolarHBondContact N-OE2 3.3Å; S261-E264 PolarHBondContact O-N 3.36Å; S261-E264 WeakPolarHBondContact OG-CB 3.45Å; S261-E264 VanDerWaalsContact OG-CG 3.3Å; S261-E264 WeakPolarHBondContact OG-CG 3.39Å; S261-E264 PolarHBondContact OG-N 3.41Å; S261-E264 PolarHBondContact OG-OE2 3.26Å; E264-L266 PolarHBondContact O-N 3Å; E264-A267 CarbonylContact O-C 3.6Å; E264-A267 PolarHBondContact O-N 3.45Å; E264-L268 WeakPolarHBondContact O-CB 3.3Å; E264-L268 WeakPolarHBondContact O-CG 3.47Å; E264-L268 PolarHBondContact O-N 3.01Å
265	S	96.7	Very high	96.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-55.3	-41.8	177.4	-61	0	0	0	0	111.7	Y255 L256 F260 S261 E262 T269	Y255-S265 WeakPolarHBondContact CB-OG 3.47Å; L256-S265 PolarHBondContact N-OG 3.46Å; F260-S265 WeakPolarHBondContact CB-OG 3.23Å; S261-S265 WeakPolarHBondContact O-CB 3.47Å; S261-S265 PolarHBondContact O-N 2.99Å; S261-S265 PolarHBondContact O-OG 3.1Å; E262-S265 PolarHBondContact O-N 3.44Å; S265-T269 WeakPolarHBondContact O-CB 3.39Å; S265-T269 PolarHBondContact O-N 3.2Å; S265-T269 PolarHBondContact O-OG1 2.92Å
266	L	96.3	Very high	95.9	Very high	15 Å²	15	52.3 Å²	52.3	8%	0.079	31%	0.31	C	S	.	.	H	α-helix	trans	-69.1	-38.1	175.4	-70.2	170.8	0	0	0	112.9	I252 E262 E264 A270 V283 K284	I252-L266 HydrophobicContact CD1-CD2 3.95Å; I252-L266 HydrophobicContact CG1-CD2 4.28Å; E262-L266 HydrophobicContact CG-CD1 4.05Å; E262-L266 HydrophobicContact CG-CG 4.49Å; E262-L266 WeakPolarHBondContact O-CB 3.18Å; E262-L266 WeakPolarHBondContact O-CD1 3.31Å; E262-L266 WeakPolarHBondContact O-CG 3.25Å; E262-L266 PolarHBondContact O-N 2.66Å; E264-L266 PolarHBondContact O-N 3Å; L266-A270 VanDerWaalsContact O-CB 3.25Å; L266-A270 WeakPolarHBondContact O-CB 3.47Å; L266-A270 PolarHBondContact O-N 3.4Å; L266-V283 HydrophobicContact CD2-CB 4.48Å; L266-V283 HydrophobicContact CD2-CG1 4.07Å; L266-K284 HydrophobicContact CD1-CB 3.95Å; L266-K284 HydrophobicContact CD1-CD 4.04Å; L266-K284 HydrophobicContact CD1-CG 4.45Å; L266-K284 HydrophobicContact CD2-CB 3.89Å
267	A	96.4	Very high	95.6	Very high	24 Å²	24	55.1 Å²	55.1	20%	0.198	33%	0.325	C	S	.	.	H	α-helix	trans	-70.7	-40.7	178.1	0	0	0	0	0	112.5	K263 E264 A270 T271 D277	K263-A267 WeakPolarHBondContact O-CB 3.5Å; K263-A267 PolarHBondContact O-N 2.94Å; E264-A267 CarbonylContact O-C 3.6Å; E264-A267 PolarHBondContact O-N 3.45Å; A267-A270 PolarHBondContact O-N 2.97Å; A267-T271 WeakPolarHBondContact O-CB 3.46Å; A267-T271 PolarHBondContact O-N 2.73Å; A267-T271 PolarHBondContact O-OG1 3.14Å; A267-D277 HydrophobicContact CB-CB 4.44Å
268	L	96.8	Very high	95.3	Very high	55 Å²	55	54.2 Å²	54.2	29%	0.288	33%	0.325	S	S	.	.	H	α-helix	trans	-62.2	-49.8	173.9	-71.4	169.5	0	0	0	110.3	Y255 F260 E264 A270 T271 D272	Y255-L268 HydrophobicContact CD1-CB 4.46Å; Y255-L268 HydrophobicContact CD1-CD1 3.75Å; Y255-L268 HydrophobicContact CD2-CB 3.76Å; Y255-L268 HydrophobicContact CD2-CD1 4.29Å; Y255-L268 HydrophobicContact CE1-CB 4.25Å; Y255-L268 HydrophobicContact CE1-CD1 4.02Å; Y255-L268 HydrophobicContact CE2-CB 3.5Å; Y255-L268 HydrophobicContact CG-CB 4.24Å; Y255-L268 HydrophobicContact CG-CD1 3.9Å; F260-L268 HydrophobicContact CD1-CD1 3.94Å; F260-L268 HydrophobicContact CD2-CD1 4.02Å; F260-L268 HydrophobicContact CE1-CD1 3.96Å; F260-L268 HydrophobicContact CE2-CD1 4.04Å; F260-L268 HydrophobicContact CG-CD1 3.98Å; F260-L268 HydrophobicContact CZ-CD1 4.01Å; E264-L268 WeakPolarHBondContact O-CB 3.3Å; E264-L268 WeakPolarHBondContact O-CG 3.47Å; E264-L268 PolarHBondContact O-N 3.01Å; L268-A270 VanDerWaalsContact C-N 3.3Å; L268-A270 PolarHBondContact O-N 3.08Å; L268-T271 WeakPolarHBondContact O-CB 3.4Å; L268-T271 PolarHBondContact O-N 3.2Å; L268-T271 VanDerWaalsContact O-N 3.12Å; L268-D272 PolarHBondContact O-N 2.96Å
269	T	97	Very high	95.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.8	-42.3	175.1	-57	0	0	0	0	111.4	W247 A248 A251 I252 S265 T271 D272 L273 V283	W247-T269 HydrophobicContact CZ3-CG2 4.48Å; A248-T269 HydrophobicContact CB-CG2 4.11Å; A251-T269 HydrophobicContact CB-CG2 4.17Å; I252-T269 HydrophobicContact CG1-CG2 4Å; I252-T269 WeakPolarHBondContact CG1-OG1 3.47Å; S265-T269 WeakPolarHBondContact O-CB 3.39Å; S265-T269 PolarHBondContact O-N 3.2Å; S265-T269 PolarHBondContact O-OG1 2.92Å; T269-T271 VanDerWaalsContact C-N 3.34Å; T269-T271 PolarHBondContact O-N 2.94Å; T269-D272 PolarHBondContact O-N 3.07Å; T269-L273 HydrophobicContact CG2-CD1 3.85Å; T269-L273 HydrophobicContact CG2-CG 4.35Å; T269-L273 WeakPolarHBondContact O-CB 3.45Å; T269-L273 WeakPolarHBondContact O-CD1 3.49Å; T269-L273 WeakPolarHBondContact O-CG 3.3Å; T269-L273 PolarHBondContact O-N 3.36Å; T269-V283 HydrophobicContact CG2-CG1 3.92Å
270	A	96.3	Very high	94.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-40.7	176.8	0	0	0	0	0	112.7	L266 A267 L268 L273 G274 H275 G276 R279 V283	L266-A270 VanDerWaalsContact O-CB 3.25Å; L266-A270 WeakPolarHBondContact O-CB 3.47Å; L266-A270 PolarHBondContact O-N 3.4Å; A267-A270 PolarHBondContact O-N 2.97Å; L268-A270 VanDerWaalsContact C-N 3.3Å; L268-A270 PolarHBondContact O-N 3.08Å; A270-L273 PolarHBondContact O-N 3.09Å; A270-G274 PolarHBondContact O-N 3.41Å; A270-H275 WeakPolarHBondContact O-CB 3.29Å; A270-H275 PolarHBondContact O-N 3.4Å; A270-G276 WeakPolarHBondContact CB-O 3.36Å; A270-R279 HydrophobicContact CB-CB 4.05Å; A270-V283 HydrophobicContact CB-CG2 3.58Å
271	T	96.5	Very high	94.5	Very high	55 Å²	55	59 Å²	59	34%	0.337	32%	0.317	S	S	.	.	H	α-helix	trans	-64.9	-47.7	177.5	-60.9	0	0	0	0	111.1	A267 L268 T269 L273 G274	A267-T271 WeakPolarHBondContact O-CB 3.46Å; A267-T271 PolarHBondContact O-N 2.73Å; A267-T271 PolarHBondContact O-OG1 3.14Å; L268-T271 WeakPolarHBondContact O-CB 3.4Å; L268-T271 PolarHBondContact O-N 3.2Å; L268-T271 VanDerWaalsContact O-N 3.12Å; T269-T271 VanDerWaalsContact C-N 3.34Å; T269-T271 PolarHBondContact O-N 2.94Å; T271-L273 VanDerWaalsContact C-N 3.27Å; T271-L273 PolarHBondContact O-N 2.91Å; T271-G274 WeakPolarHBondContact O-CA 3.42Å; T271-G274 PolarHBondContact O-N 3.1Å
272	D	97	Very high	94.1	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-38	176.8	-83.4	4.7	0	0	0	111.5	R171 R184 H185 T187 W247 Y255 L268 T269 G274	R171-D272 IonicContact NH2-OD1 3.12Å; R184-D272 WeakPolarHBondContact CD-O 2.82Å; R184-D272 PolarHBondContact NH1-O 3.35Å; H185-D272 CarbonylContact O-C 3.52Å; H185-D272 VanDerWaalsContact O-CA 3.31Å; H185-D272 WeakPolarHBondContact O-CA 3.47Å; T187-D272 WeakPolarHBondContact CB-OD2 3.34Å; T187-D272 PolarHBondContact N-OD2 3.33Å; T187-D272 PolarHBondContact OG1-OD2 3.37Å; W247-D272 HydrophobicContact CH2-CB 3.57Å; W247-D272 HydrophobicContact CZ3-CB 4.21Å; Y255-D272 PolarHBondContact OH-OD2 3.13Å; L268-D272 PolarHBondContact O-N 2.96Å; T269-D272 PolarHBondContact O-N 3.07Å; D272-G274 PolarHBondContact O-N 3.41Å; D272-G274 VanDerWaalsContact O-N 3.1Å
273	L	96	Very high	93.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-1.6	174.2	-65.7	170.9	0	0	0	113.6	R147 R244 W247 A248 T269 A270 T271 H275 V283 Y287	R147-L273 PolarHBondContact NH1-O 3.29Å; R147-L273 PolarHBondContact NH2-O 3.25Å; R244-L273 HydrophobicContact CG-CD2 3.75Å; R244-L273 VanDerWaalsContact CZ-CD2 3.49Å; R244-L273 VanDerWaalsContact NH2-CD2 3.32Å; R244-L273 PolarHBondContact NH2-O 3.27Å; W247-L273 HydrophobicContact CE3-CD2 3.65Å; W247-L273 HydrophobicContact CE3-CG 4.37Å; W247-L273 HydrophobicContact CZ3-CD2 3.61Å; W247-L273 HydrophobicContact CZ3-CG 3.87Å; A248-L273 HydrophobicContact CB-CD1 3.91Å; A248-L273 HydrophobicContact CB-CD2 4.48Å; T269-L273 HydrophobicContact CG2-CD1 3.85Å; T269-L273 HydrophobicContact CG2-CG 4.35Å; T269-L273 WeakPolarHBondContact O-CB 3.45Å; T269-L273 WeakPolarHBondContact O-CD1 3.49Å; T269-L273 WeakPolarHBondContact O-CG 3.3Å; T269-L273 PolarHBondContact O-N 3.36Å; A270-L273 PolarHBondContact O-N 3.09Å; T271-L273 VanDerWaalsContact C-N 3.27Å; T271-L273 PolarHBondContact O-N 2.91Å; L273-H275 WeakPolarHBondContact CB-CD2 3.42Å; L273-V283 HydrophobicContact CD1-CG2 4.33Å; L273-Y287 HydrophobicContact CD1-CD2 3.75Å; L273-Y287 HydrophobicContact CD1-CE2 3.48Å; L273-Y287 VanDerWaalsContact CD1-CE2 3.48Å; L273-Y287 HydrophobicContact CD1-CG 4.43Å
274	G	94.9	Very high	93.7	Very high	38 Å²	38	51.4 Å²	51.4	39%	0.392	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	31.6	-179.6	0	0	0	0	0	113.6	A270 T271 D272	A270-G274 PolarHBondContact O-N 3.41Å; T271-G274 WeakPolarHBondContact O-CA 3.42Å; T271-G274 PolarHBondContact O-N 3.1Å; D272-G274 PolarHBondContact O-N 3.41Å; D272-G274 VanDerWaalsContact O-N 3.1Å
275	H	91.8	Very high	93.3	Very high	51 Å²	51	49.9 Å²	49.9	24%	0.236	27%	0.267	C	S	.	.	S	Bend	trans	-100	-20.2	175.9	-63.7	-64.1	0	0	0	113.2	A270 L273 R279 W282 Y287	A270-H275 WeakPolarHBondContact O-CB 3.29Å; A270-H275 PolarHBondContact O-N 3.4Å; L273-H275 WeakPolarHBondContact CB-CD2 3.42Å; H275-R279 HydrophobicContact CB-CB 3.82Å; H275-R279 HydrophobicContact CB-CG 3.93Å; H275-R279 VanDerWaalsContact O-CG 3.22Å; H275-R279 WeakPolarHBondContact O-CG 3.29Å; H275-W282 AromaticContact CD2-CZ3 3.48Å; H275-W282 VanDerWaalsContact CD2-CZ3 3.48Å; H275-W282 WeakPolarHBondContact CD2-CZ3 3.39Å; H275-W282 AromaticContact CE1-CH2 3.59Å; H275-W282 AromaticContact CE1-CZ3 3.46Å; H275-W282 VanDerWaalsContact CE1-CZ3 3.46Å; H275-W282 WeakPolarHBondContact CE1-CZ3 3.45Å; H275-W282 AromaticContact CG-CZ3 3.88Å; H275-W282 AromaticContact ND1-CZ3 3.88Å; H275-W282 AromaticContact NE2-CH2 3.62Å; H275-W282 AromaticContact NE2-CZ3 3.22Å; H275-W282 WeakPolarHBondContact NE2-CZ3 3.34Å; H275-Y287 AromaticContact NE2-CE2 3.8Å; H275-Y287 PolarHBondContact NE2-OH 2.84Å
276	G	89.9	Confident	92.8	Very high	30 Å²	30	50.5 Å²	50.5	31%	0.309	27%	0.271	S	S	.	.			trans	92.6	157.5	-172	0	0	0	0	0	112.4	A270 G278 R279	A270-G276 WeakPolarHBondContact CB-O 3.36Å; G276-G278 VanDerWaalsContact C-N 3.35Å; G276-G278 PolarHBondContact O-N 3.21Å; G276-R279 WeakPolarHBondContact O-CB 3.34Å; G276-R279 PolarHBondContact O-N 3.47Å
277	D	89.2	Confident	92.3	Very high	121 Å²	121	49.9 Å²	49.9	65%	0.647	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-61.1	-37.2	-176.8	64	-26.8	0	0	0	113.4	A267 R279 G280	A267-D277 HydrophobicContact CB-CB 4.44Å; D277-R279 PolarHBondContact O-N 2.87Å; D277-G280 PolarHBondContact O-N 3.1Å
278	G	92	Very high	91.3	Very high	71 Å²	71	49.3 Å²	49.3	73%	0.732	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-66.1	3.1	177	0	0	0	0	0	115.3	G276	G276-G278 VanDerWaalsContact C-N 3.35Å; G276-G278 PolarHBondContact O-N 3.21Å
279	R	92.1	Very high	89.5	Confident	125 Å²	125	53.6 Å²	53.6	47%	0.472	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-105.7	9.4	-176.7	-63.1	-66	-137.3	162.3	4.2	114.5	A270 H275 G276 D277 R281 W282 V283	A270-R279 HydrophobicContact CB-CB 4.05Å; H275-R279 HydrophobicContact CB-CB 3.82Å; H275-R279 HydrophobicContact CB-CG 3.93Å; H275-R279 VanDerWaalsContact O-CG 3.22Å; H275-R279 WeakPolarHBondContact O-CG 3.29Å; G276-R279 WeakPolarHBondContact O-CB 3.34Å; G276-R279 PolarHBondContact O-N 3.47Å; D277-R279 PolarHBondContact O-N 2.87Å; R279-R281 VanDerWaalsContact C-N 3.34Å; R279-R281 PolarHBondContact O-N 3.49Å; R279-W282 WeakPolarHBondContact O-CA 3.46Å; R279-W282 WeakPolarHBondContact O-CB 3.49Å; R279-W282 PolarHBondContact O-N 3.23Å; R279-V283 PolarHBondContact O-N 3.26Å
280	G	91	Very high	87.5	Confident	9 Å²	9	61.3 Å²	61.3	9%	0.093	31%	0.307	C	S	.	.	H	α-helix	trans	-52.7	-44.5	178.2	0	0	0	0	0	114.3	D277 W282 V283 K284	D277-G280 PolarHBondContact O-N 3.1Å; G280-W282 VanDerWaalsContact C-N 3.29Å; G280-W282 PolarHBondContact O-N 3.06Å; G280-V283 WeakPolarHBondContact O-CB 3.44Å; G280-V283 PolarHBondContact O-N 3.36Å; G280-V283 VanDerWaalsContact O-N 3.13Å; G280-K284 PolarHBondContact O-N 3.34Å
281	R	90.3	Very high	85.3	Confident	217 Å²	217	65.7 Å²	65.7	82%	0.819	32%	0.323	S	S	*	.	H	α-helix	trans	-58.1	-40.8	174.9	-178.9	179.4	175.9	-178.3	2.1	112.5	R279 K284 Q285	R279-R281 VanDerWaalsContact C-N 3.34Å; R279-R281 PolarHBondContact O-N 3.49Å; R281-K284 PolarHBondContact O-N 3.02Å; R281-Q285 WeakPolarHBondContact O-CB 3.42Å; R281-Q285 PolarHBondContact O-N 3.14Å
282	W	88.5	Confident	82.5	Confident	66 Å²	66	71.9 Å²	71.9	25%	0.25	35%	0.345	C	S	.	.	H	α-helix	trans	-71.4	-35.1	178.9	179.2	85	0	0	0	111.2	H275 R279 G280 Q285 V286 Y287	H275-W282 AromaticContact CD2-CZ3 3.48Å; H275-W282 VanDerWaalsContact CD2-CZ3 3.48Å; H275-W282 WeakPolarHBondContact CD2-CZ3 3.39Å; H275-W282 AromaticContact CE1-CH2 3.59Å; H275-W282 AromaticContact CE1-CZ3 3.46Å; H275-W282 VanDerWaalsContact CE1-CZ3 3.46Å; H275-W282 WeakPolarHBondContact CE1-CZ3 3.45Å; H275-W282 AromaticContact CG-CZ3 3.88Å; H275-W282 AromaticContact ND1-CZ3 3.88Å; H275-W282 AromaticContact NE2-CH2 3.62Å; H275-W282 AromaticContact NE2-CZ3 3.22Å; H275-W282 WeakPolarHBondContact NE2-CZ3 3.34Å; R279-W282 WeakPolarHBondContact O-CA 3.46Å; R279-W282 WeakPolarHBondContact O-CB 3.49Å; R279-W282 PolarHBondContact O-N 3.23Å; G280-W282 VanDerWaalsContact C-N 3.29Å; G280-W282 PolarHBondContact O-N 3.06Å; W282-Q285 PolarHBondContact O-N 3.18Å; W282-V286 HydrophobicContact CD2-CB 4.41Å; W282-V286 HydrophobicContact CD2-CG2 4.13Å; W282-V286 HydrophobicContact CG-CG2 4.28Å; W282-V286 HydrophobicContact CH2-CB 4.48Å; W282-V286 HydrophobicContact CH2-CG1 4.22Å; W282-V286 HydrophobicContact CZ2-CB 4.05Å; W282-V286 HydrophobicContact CZ2-CG1 3.85Å; W282-V286 HydrophobicContact CZ2-CG2 3.95Å; W282-V286 WeakPolarHBondContact O-CB 3.28Å; W282-V286 WeakPolarHBondContact O-CG2 3.44Å; W282-V286 PolarHBondContact O-N 3.35Å; W282-Y287 HydrophobicContact CE3-CE2 4.28Å; W282-Y287 HydrophobicContact CH2-CD2 4.4Å; W282-Y287 AromaticContact CH2-CE2 3.56Å; W282-Y287 HydrophobicContact CH2-CE2 3.56Å; W282-Y287 AromaticContact CH2-CZ 4Å; W282-Y287 HydrophobicContact CZ3-CD2 4.01Å; W282-Y287 AromaticContact CZ3-CE2 3.31Å; W282-Y287 HydrophobicContact CZ3-CE2 3.31Å
283	V	91.9	Very high	79.6	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-61.2	-47.8	171.6	170.6	0	0	0	0	111.1	I252 L266 T269 A270 L273 R279 G280 Q285 V286 Y287 G288	I252-V283 HydrophobicContact CD1-CG1 4.06Å; L266-V283 HydrophobicContact CD2-CB 4.48Å; L266-V283 HydrophobicContact CD2-CG1 4.07Å; T269-V283 HydrophobicContact CG2-CG1 3.92Å; A270-V283 HydrophobicContact CB-CG2 3.58Å; L273-V283 HydrophobicContact CD1-CG2 4.33Å; R279-V283 PolarHBondContact O-N 3.26Å; G280-V283 WeakPolarHBondContact O-CB 3.44Å; G280-V283 PolarHBondContact O-N 3.36Å; G280-V283 VanDerWaalsContact O-N 3.13Å; V283-Q285 VanDerWaalsContact C-N 3.32Å; V283-Q285 PolarHBondContact O-N 2.83Å; V283-V286 PolarHBondContact O-N 3.1Å; V283-Y287 HydrophobicContact CB-CD2 4.3Å; V283-Y287 HydrophobicContact CG1-CD2 4.12Å; V283-Y287 HydrophobicContact CG2-CD2 4.12Å; V283-Y287 WeakPolarHBondContact O-CA 3.5Å; V283-Y287 WeakPolarHBondContact O-CB 3.44Å; V283-Y287 PolarHBondContact O-N 2.95Å; V283-G288 PolarHBondContact O-N 3.28Å
284	K	90.3	Very high	76.6	Confident	104 Å²	104	94.8 Å²	94.8	45%	0.452	44%	0.443	S	S	.	.	H	α-helix	trans	-56.8	-46.1	175	-174.2	170.4	-178.3	165	0	111.7	E262 L266 G280 R281 G288 Y289	E262-K284 VanDerWaalsContact OE1-CE 3.26Å; E262-K284 WeakPolarHBondContact OE1-CE 3.47Å; E262-K284 IonicContact OE1-NZ 3.93Å; E262-K284 PolarHBondContact OE1-NZ 2.88Å; E262-K284 IonicContact OE2-NZ 2.83Å; E262-K284 PolarHBondContact OE2-NZ 3.35Å; L266-K284 HydrophobicContact CD1-CB 3.95Å; L266-K284 HydrophobicContact CD1-CD 4.04Å; L266-K284 HydrophobicContact CD1-CG 4.45Å; L266-K284 HydrophobicContact CD2-CB 3.89Å; G280-K284 PolarHBondContact O-N 3.34Å; R281-K284 PolarHBondContact O-N 3.02Å; K284-G288 CarbonylContact O-C 3.48Å; K284-G288 WeakPolarHBondContact O-CA 3.47Å; K284-G288 PolarHBondContact O-N 3.48Å; K284-Y289 PolarHBondContact O-N 3.12Å
285	Q	87.6	Confident	75.7	Confident	65 Å²	65	97.7 Å²	97.7	30%	0.304	45%	0.446	S	S	.	.	H	α-helix	trans	-69.4	-33.4	-178.2	-177.6	176.7	2.5	0	0	114.1	N109 R281 W282 V283 Y289	N109-Q285 WeakPolarHBondContact OD1-CG 3.47Å; N109-Q285 PolarHBondContact OD1-NE2 2.94Å; R281-Q285 WeakPolarHBondContact O-CB 3.42Å; R281-Q285 PolarHBondContact O-N 3.14Å; W282-Q285 PolarHBondContact O-N 3.18Å; V283-Q285 VanDerWaalsContact C-N 3.32Å; V283-Q285 PolarHBondContact O-N 2.83Å; Q285-Y289 WeakPolarHBondContact O-CB 3.27Å
286	V	87.1	Confident	74.8	Confident	14 Å²	14	100.1 Å²	100.1	9%	0.085	46%	0.457	C	S	.	.	H	α-helix	trans	-106.2	-44.5	-170.7	175.6	0	0	0	0	112.5	Y245 W282 V283	Y245-V286 HydrophobicContact CE1-CG1 4.33Å; Y245-V286 WeakPolarHBondContact CE1-O 3.4Å; Y245-V286 HydrophobicContact CE2-CG1 4.5Å; Y245-V286 WeakPolarHBondContact OH-CG1 3.41Å; W282-V286 HydrophobicContact CD2-CB 4.41Å; W282-V286 HydrophobicContact CD2-CG2 4.13Å; W282-V286 HydrophobicContact CG-CG2 4.28Å; W282-V286 HydrophobicContact CH2-CB 4.48Å; W282-V286 HydrophobicContact CH2-CG1 4.22Å; W282-V286 HydrophobicContact CZ2-CB 4.05Å; W282-V286 HydrophobicContact CZ2-CG1 3.85Å; W282-V286 HydrophobicContact CZ2-CG2 3.95Å; W282-V286 WeakPolarHBondContact O-CB 3.28Å; W282-V286 WeakPolarHBondContact O-CG2 3.44Å; W282-V286 PolarHBondContact O-N 3.35Å; V283-V286 PolarHBondContact O-N 3.1Å
287	Y	86.4	Confident	74	Confident	2 Å²	2	104 Å²	104	1%	0.008	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-33.1	-179.2	-64.6	-70.5	0	0	0	112.7	R244 Y245 A248 Q249 L273 H275 W282 V283	R244-Y287 HydrophobicContact CG-CE1 4.33Å; R244-Y287 PolarHBondContact NE-OH 3.35Å; Y245-Y287 HydrophobicContact CD1-CD1 4.07Å; Y245-Y287 AromaticContact CD2-CD1 3.23Å; Y245-Y287 HydrophobicContact CD2-CD1 3.23Å; Y245-Y287 AromaticContact CD2-CE1 3.22Å; Y245-Y287 HydrophobicContact CD2-CE1 3.22Å; Y245-Y287 HydrophobicContact CE1-CD1 4.32Å; Y245-Y287 AromaticContact CE2-CD1 3.45Å; Y245-Y287 HydrophobicContact CE2-CD1 3.45Å; Y245-Y287 VanDerWaalsContact CE2-CD1 3.45Å; Y245-Y287 AromaticContact CE2-CE1 3.25Å; Y245-Y287 HydrophobicContact CE2-CE1 3.25Å; Y245-Y287 AromaticContact CG-CD1 3.54Å; Y245-Y287 HydrophobicContact CG-CD1 3.54Å; Y245-Y287 HydrophobicContact CG-CE1 4.02Å; A248-Y287 HydrophobicContact CB-CD1 3.96Å; A248-Y287 HydrophobicContact CB-CD2 4.44Å; A248-Y287 HydrophobicContact CB-CG 3.84Å; Q249-Y287 WeakPolarHBondContact CG-O 3.36Å; Q249-Y287 PolarHBondContact NE2-O 3.03Å; L273-Y287 HydrophobicContact CD1-CD2 3.75Å; L273-Y287 HydrophobicContact CD1-CE2 3.48Å; L273-Y287 VanDerWaalsContact CD1-CE2 3.48Å; L273-Y287 HydrophobicContact CD1-CG 4.43Å; H275-Y287 AromaticContact NE2-CE2 3.8Å; H275-Y287 PolarHBondContact NE2-OH 2.84Å; W282-Y287 HydrophobicContact CE3-CE2 4.28Å; W282-Y287 HydrophobicContact CH2-CD2 4.4Å; W282-Y287 AromaticContact CH2-CE2 3.56Å; W282-Y287 HydrophobicContact CH2-CE2 3.56Å; W282-Y287 AromaticContact CH2-CZ 4Å; W282-Y287 HydrophobicContact CZ3-CD2 4.01Å; W282-Y287 AromaticContact CZ3-CE2 3.31Å; W282-Y287 HydrophobicContact CZ3-CE2 3.31Å; V283-Y287 HydrophobicContact CB-CD2 4.3Å; V283-Y287 HydrophobicContact CG1-CD2 4.12Å; V283-Y287 HydrophobicContact CG2-CD2 4.12Å; V283-Y287 WeakPolarHBondContact O-CA 3.5Å; V283-Y287 WeakPolarHBondContact O-CB 3.44Å; V283-Y287 PolarHBondContact O-N 2.95Å
288	G	73.6	Confident	73.1	Confident	11 Å²	11	103 Å²	103	11%	0.113	45%	0.454	C	S	.	.	S	Bend	trans	-84.7	-7.4	179.9	0	0	0	0	0	114.9	V283 K284 R290 W291	V283-G288 PolarHBondContact O-N 3.28Å; K284-G288 CarbonylContact O-C 3.48Å; K284-G288 WeakPolarHBondContact O-CA 3.47Å; K284-G288 PolarHBondContact O-N 3.48Å; G288-R290 PolarHBondContact O-N 2.96Å; G288-W291 WeakPolarHBondContact O-CB 3.49Å; G288-W291 PolarHBondContact O-N 3.18Å; G288-W291 VanDerWaalsContact O-N 3.15Å
289	Y	60	Low	71.9	Confident	145 Å²	145	105 Å²	105	57%	0.569	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	133.4	-173.6	-163	-104.7	0	0	0	112.2	K284 Q285	K284-Y289 PolarHBondContact O-N 3.12Å; Q285-Y289 WeakPolarHBondContact O-CB 3.27Å
290	R	54.6	Low	70.6	Confident	163 Å²	163	103.7 Å²	103.7	62%	0.615	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	23.9	-167.1	-60.5	-169.1	-177.2	-157.3	2.8	116.2	G288 K292	G288-R290 PolarHBondContact O-N 2.96Å; R290-K292 PolarHBondContact O-N 2.95Å
291	W	50	Low	69.1	Low	92 Å²	92	110.4 Å²	110.4	35%	0.348	46%	0.459	S	S	.	.			trans	-66.8	88.2	153.5	-167.8	-5.8	0	0	0	108.5	I252 R253 L256 G288	I252-W291 HydrophobicContact CB-CH2 4.5Å; I252-W291 HydrophobicContact CB-CZ3 4.15Å; I252-W291 HydrophobicContact CG2-CH2 3.93Å; I252-W291 HydrophobicContact CG2-CZ3 3.58Å; R253-W291 HydrophobicContact CG-CH2 3.78Å; R253-W291 HydrophobicContact CG-CZ2 3.69Å; L256-W291 HydrophobicContact CD1-CH2 3.84Å; G288-W291 WeakPolarHBondContact O-CB 3.49Å; G288-W291 PolarHBondContact O-N 3.18Å; G288-W291 VanDerWaalsContact O-N 3.15Å
292	K	37.5	Very low	67.5	Low	185 Å²	185	102.2 Å²	102.2	80%	0.804	43%	0.431	S	S	*	.			trans	-79.8	122	151.6	-76.7	-169.1	174.3	-172.4	0	104.8	R290 E294	R290-K292 PolarHBondContact O-N 2.95Å; K292-E294 PolarHBondContact O-N 3.05Å; K292-E294 VanDerWaalsContact O-N 3.11Å
293	R	35.9	Very low	65.7	Low	218 Å²	218	105.3 Å²	105.3	82%	0.823	45%	0.446	S	S	*	.			trans	-56.5	115.4	157	-87.6	-177.7	170	177.8	-4.9	104.6
294	E	33.8	Very low	63.3	Low	264 Å²	264	114.8 Å²	114.8	100%	1.234	49%	0.487	S	S	*	.			trans	-58.2	0	157.5	-70.7	175.9	170.3	0	0	108.5	K292	K292-E294 PolarHBondContact O-N 3.05Å; K292-E294 VanDerWaalsContact O-N 3.11Å

Retrieved 294 of 294 residues in 2265.2 ms (Link to these results)

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