A0A2K6A1P3_MANLE Loading...

UBX domain-containing protein 4

Involved in endoplasmic reticulum-associated protein degradation (ERAD). Acts as a platform to recruit both UBQLN1 and VCP to the ER during ERAD.

AlphaFold DB , UniProt , Accession A0A2K6A1P3, Species MANLE (Mandrillus leucophaeus, Drill), Gene UBXN4, Length 508 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	70.1	Confident	84.9	Confident	23 Å²	23	71.4 Å²	71.4	11%	0.113	41%	0.411	C	S	.	.				0	153.1	0	-171.4	-178.3	-151.6	0	0	109.6	W3 V23 W40 T46 F53 A55	M1-W3 PolarHBondContact O-N 3.44Å; M1-W3 HydrophobicContact SD-CH2 4.49Å; M1-W3 HydrophobicContact SD-CZ3 4.32Å; M1-V23 HydrophobicContact CE-CG2 4.49Å; M1-W40 HydrophobicContact CB-CE3 4.36Å; M1-W40 WeakPolarHBondContact CB-O 3.41Å; M1-W40 HydrophobicContact CE-CE3 4.2Å; M1-W40 HydrophobicContact CE-CH2 4.41Å; M1-W40 HydrophobicContact CE-CZ3 3.66Å; M1-W40 HydrophobicContact CG-CE3 4.41Å; M1-W40 PolarHBondContact N-O 3.07Å; M1-W40 HydrophobicContact SD-CD2 4.23Å; M1-W40 HydrophobicContact SD-CE3 3.35Å; M1-W40 HydrophobicContact SD-CH2 4.37Å; M1-W40 HydrophobicContact SD-CZ3 3.44Å; M1-W40 WeakPolarHBondContact SD-CZ3 3.37Å; M1-T46 WeakPolarHBondContact CA-OG1 3.26Å; M1-T46 PolarHBondContact N-OG1 3.47Å; M1-F53 HydrophobicContact CE-CB 4.09Å; M1-A55 HydrophobicContact CE-CB 3.52Å; M1-A55 HydrophobicContact CG-CB 4.43Å; M1-A55 HydrophobicContact SD-CB 3.37Å; M1-A55 WeakPolarHBondContact SD-CB 3.44Å
2	L	76.2	Confident	85.3	Confident	154 Å²	154	70.8 Å²	70.8	81%	0.806	40%	0.404	S	S	*	.			trans	-83.1	104	171	-66.1	176.4	0	0	0	111.4
3	W	88.5	Confident	85.6	Confident	53 Å²	53	69.2 Å²	69.2	20%	0.201	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-76.1	135.3	173.8	-56.5	112.2	0	0	0	111.6	M1 Q5 F25 W40 A55 K57	M1-W3 PolarHBondContact O-N 3.44Å; M1-W3 HydrophobicContact SD-CH2 4.49Å; M1-W3 HydrophobicContact SD-CZ3 4.32Å; W3-Q5 PolarHBondContact O-N 3.26Å; W3-F25 HydrophobicContact CH2-CB 3.92Å; W3-F25 AromaticContact CH2-CD1 3.48Å; W3-F25 HydrophobicContact CH2-CD1 3.48Å; W3-F25 VanDerWaalsContact CH2-CD1 3.48Å; W3-F25 HydrophobicContact CH2-CE1 4.37Å; W3-F25 HydrophobicContact CH2-CG 4.05Å; W3-F25 HydrophobicContact CZ2-CD1 4.07Å; W3-F25 HydrophobicContact CZ3-CB 3.9Å; W3-F25 HydrophobicContact CZ3-CD1 4.12Å; W3-F25 HydrophobicContact CZ3-CG 4.48Å; W3-W40 HydrophobicContact CH2-CB 3.9Å; W3-W40 HydrophobicContact CH2-CD2 4.23Å; W3-W40 AromaticContact CH2-CG 3.81Å; W3-W40 HydrophobicContact CH2-CG 3.81Å; W3-W40 HydrophobicContact CZ2-CB 3.67Å; W3-W40 HydrophobicContact CZ2-CG 4.11Å; W3-A55 HydrophobicContact CE3-CB 3.87Å; W3-A55 HydrophobicContact CZ3-CB 3.93Å; W3-K57 HydrophobicContact CD2-CB 4.49Å; W3-K57 HydrophobicContact CE3-CB 4.15Å; W3-K57 HydrophobicContact CZ3-CB 4.32Å
4	F	88.1	Confident	85.8	Confident	67 Å²	67	66.8 Å²	66.8	29%	0.294	39%	0.391	S	S	.	.			trans	-75.5	113.7	-179.9	-174.9	-88.5	0	0	0	111.7	G6 A10 A11 T14 V54 A55 I56	F4-G6 PolarHBondContact O-N 2.86Å; F4-A10 HydrophobicContact CE1-CB 4.19Å; F4-A10 HydrophobicContact CZ-CB 4.14Å; F4-A11 HydrophobicContact CB-CB 4.43Å; F4-A11 HydrophobicContact CD1-CB 3.42Å; F4-A11 VanDerWaalsContact CD1-CB 3.42Å; F4-A11 HydrophobicContact CD2-CB 4.45Å; F4-A11 HydrophobicContact CE1-CB 3.64Å; F4-A11 HydrophobicContact CG-CB 3.87Å; F4-A11 HydrophobicContact CZ-CB 4.26Å; F4-T14 HydrophobicContact CE2-CG2 4.35Å; F4-V54 HydrophobicContact CB-CG1 4.36Å; F4-V54 HydrophobicContact CD2-CG1 4.13Å; F4-V54 HydrophobicContact CG-CG1 4.42Å; F4-A55 VanDerWaalsContact CB-O 3.32Å; F4-A55 WeakPolarHBondContact CB-O 3.43Å; F4-A55 PolarHBondContact N-O 2.82Å; F4-I56 HydrophobicContact CB-CG2 4.11Å
5	Q	83.1	Confident	86.1	Confident	183 Å²	183	62.6 Å²	62.6	86%	0.855	37%	0.368	S	S	*	.			trans	-82.9	34.7	-172.4	-60.6	-65.2	-15.5	0	0	114.4	W3	W3-Q5 PolarHBondContact O-N 3.26Å
6	G	83.7	Confident	86.3	Confident	38 Å²	38	67.3 Å²	67.3	39%	0.392	38%	0.382	S	S	.	.	S	Bend	trans	-144.6	173.8	-174.7	0	0	0	0	0	113.4	F4	F4-G6 PolarHBondContact O-N 2.86Å
7	A	86.6	Confident	86.4	Confident	70 Å²	70	74.1 Å²	74.1	58%	0.579	40%	0.4	S	S	*	.			trans	-59.4	142.9	-177.2	0	0	0	0	0	112.6	P9 A10 A11	A7-P9 VanDerWaalsContact C-CD 3.47Å; A7-P9 VanDerWaalsContact C-N 3.34Å; A7-A10 WeakPolarHBondContact O-CA 3.43Å; A7-A10 WeakPolarHBondContact O-CB 3.26Å; A7-A10 PolarHBondContact O-N 3.1Å; A7-A11 PolarHBondContact O-N 2.86Å; A7-A11 VanDerWaalsContact O-N 3.13Å
8	I	88.7	Confident	86.4	Confident	57 Å²	57	74.1 Å²	74.1	29%	0.292	41%	0.406	S	S	.	.	H	α-helix	trans	-50.1	-43.1	-176.4	-60.8	178.7	0	0	0	113.4	A10 A11 I12 F22 I56 I58 A64	I8-A10 VanDerWaalsContact C-N 3.3Å; I8-A10 PolarHBondContact O-N 2.7Å; I8-A11 WeakPolarHBondContact O-CB 3.37Å; I8-A11 PolarHBondContact O-N 3.2Å; I8-I12 HydrophobicContact CG2-CD1 3.88Å; I8-I12 HydrophobicContact CG2-CG1 4.45Å; I8-I12 WeakPolarHBondContact O-CG1 3.31Å; I8-I12 PolarHBondContact O-N 3.2Å; I8-F22 HydrophobicContact CG2-CZ 4.48Å; I8-I56 HydrophobicContact CB-CD1 4.35Å; I8-I56 HydrophobicContact CD1-CD1 3.99Å; I8-I56 HydrophobicContact CG1-CD1 3.76Å; I8-I56 HydrophobicContact CG2-CD1 3.91Å; I8-I58 HydrophobicContact CD1-CD1 3.86Å; I8-I58 HydrophobicContact CD1-CG1 4.31Å; I8-A64 HydrophobicContact CD1-CB 3.74Å
9	P	88.6	Confident	86.4	Confident	96 Å²	96	72.8 Å²	72.8	62%	0.623	41%	0.412	S	S	*	.	H	α-helix	trans	-61.8	-33.9	175.9	-24.5	35.9	0	0	0	113.9	A7 A13	A7-P9 VanDerWaalsContact C-CD 3.47Å; A7-P9 VanDerWaalsContact C-N 3.34Å; P9-A13 VanDerWaalsContact O-CB 3.29Å; P9-A13 WeakPolarHBondContact O-CB 3.46Å; P9-A13 PolarHBondContact O-N 3.16Å
10	A	90.8	Very high	86.5	Confident	44 Å²	44	69.5 Å²	69.5	36%	0.364	39%	0.394	S	S	.	.	H	α-helix	trans	-73.9	-31.2	176.6	0	0	0	0	0	112.2	F4 A7 I8 T14	F4-A10 HydrophobicContact CE1-CB 4.19Å; F4-A10 HydrophobicContact CZ-CB 4.14Å; A7-A10 WeakPolarHBondContact O-CA 3.43Å; A7-A10 WeakPolarHBondContact O-CB 3.26Å; A7-A10 PolarHBondContact O-N 3.1Å; I8-A10 VanDerWaalsContact C-N 3.3Å; I8-A10 PolarHBondContact O-N 2.7Å; A10-T14 VanDerWaalsContact O-CB 3.31Å; A10-T14 WeakPolarHBondContact O-CB 3.5Å; A10-T14 PolarHBondContact O-N 3.16Å; A10-T14 PolarHBondContact O-OG1 2.96Å
11	A	89.6	Confident	86.7	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-65.1	-48.9	171.6	0	0	0	0	0	110.7	F4 A7 I8 A13 T14 A15 F22 V54 I56	F4-A11 HydrophobicContact CB-CB 4.43Å; F4-A11 HydrophobicContact CD1-CB 3.42Å; F4-A11 VanDerWaalsContact CD1-CB 3.42Å; F4-A11 HydrophobicContact CD2-CB 4.45Å; F4-A11 HydrophobicContact CE1-CB 3.64Å; F4-A11 HydrophobicContact CG-CB 3.87Å; F4-A11 HydrophobicContact CZ-CB 4.26Å; A7-A11 PolarHBondContact O-N 2.86Å; A7-A11 VanDerWaalsContact O-N 3.13Å; I8-A11 WeakPolarHBondContact O-CB 3.37Å; I8-A11 PolarHBondContact O-N 3.2Å; A11-A13 PolarHBondContact O-N 2.98Å; A11-T14 PolarHBondContact O-N 3.43Å; A11-A15 PolarHBondContact O-N 3.11Å; A11-F22 HydrophobicContact CB-CE2 3.72Å; A11-F22 HydrophobicContact CB-CZ 4.36Å; A11-V54 HydrophobicContact CB-CG1 4.38Å; A11-I56 HydrophobicContact CB-CG2 3.69Å
12	I	89.3	Confident	87.8	Confident	65 Å²	65	66.1 Å²	66.1	33%	0.333	38%	0.375	S	S	.	.	H	α-helix	trans	-61.2	-45	176.4	-64.9	166.6	0	0	0	111.1	I8 T14 A15 K16 F22	I8-I12 HydrophobicContact CG2-CD1 3.88Å; I8-I12 HydrophobicContact CG2-CG1 4.45Å; I8-I12 WeakPolarHBondContact O-CG1 3.31Å; I8-I12 PolarHBondContact O-N 3.2Å; I12-T14 VanDerWaalsContact C-N 3.27Å; I12-T14 PolarHBondContact O-N 2.89Å; I12-A15 PolarHBondContact O-N 3.47Å; I12-K16 HydrophobicContact CG2-CD 4.41Å; I12-K16 WeakPolarHBondContact O-CG 3.41Å; I12-K16 PolarHBondContact O-N 3.39Å; I12-F22 HydrophobicContact CD1-CE1 4.18Å; I12-F22 HydrophobicContact CD1-CZ 4.28Å; I12-F22 HydrophobicContact CG1-CD1 4.14Å; I12-F22 HydrophobicContact CG1-CD2 4.44Å; I12-F22 HydrophobicContact CG1-CE1 3.6Å; I12-F22 HydrophobicContact CG1-CE2 3.96Å; I12-F22 HydrophobicContact CG1-CZ 3.5Å; I12-F22 VanDerWaalsContact CG1-CZ 3.5Å
13	A	89.3	Confident	88.6	Confident	50 Å²	50	58.8 Å²	58.8	41%	0.413	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-33.3	177.2	0	0	0	0	0	112.5	P9 A11 R17	P9-A13 VanDerWaalsContact O-CB 3.29Å; P9-A13 WeakPolarHBondContact O-CB 3.46Å; P9-A13 PolarHBondContact O-N 3.16Å; A11-A13 PolarHBondContact O-N 2.98Å; A13-R17 VanDerWaalsContact O-CB 3.28Å; A13-R17 WeakPolarHBondContact O-CB 3.43Å; A13-R17 PolarHBondContact O-N 3.3Å; A13-R17 VanDerWaalsContact O-N 3.09Å
14	T	89.3	Confident	88.8	Confident	35 Å²	35	56.2 Å²	56.2	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-71.4	-48	175.2	-62.8	0	0	0	0	111.3	F4 A10 A11 I12 K16 R17 S18 V54	F4-T14 HydrophobicContact CE2-CG2 4.35Å; A10-T14 VanDerWaalsContact O-CB 3.31Å; A10-T14 WeakPolarHBondContact O-CB 3.5Å; A10-T14 PolarHBondContact O-N 3.16Å; A10-T14 PolarHBondContact O-OG1 2.96Å; A11-T14 PolarHBondContact O-N 3.43Å; I12-T14 VanDerWaalsContact C-N 3.27Å; I12-T14 PolarHBondContact O-N 2.89Å; T14-K16 VanDerWaalsContact C-N 3.33Å; T14-K16 PolarHBondContact O-N 3.38Å; T14-R17 PolarHBondContact O-N 2.99Å; T14-R17 VanDerWaalsContact O-N 3.12Å; T14-R17 PolarHBondContact OG1-NH2 3.29Å; T14-R17 VanDerWaalsContact OG1-NH2 3.15Å; T14-S18 PolarHBondContact O-N 2.88Å; T14-S18 PolarHBondContact O-OG 3.2Å; T14-V54 HydrophobicContact CG2-CG2 4.43Å
15	A	90.1	Very high	89.1	Confident	4 Å²	4	53 Å²	53	3%	0.033	31%	0.313	C	S	.	.	H	α-helix	trans	-55.3	-46.8	176.2	0	0	0	0	0	112.1	A11 I12 S18 G19 A20 F22 V54	A11-A15 PolarHBondContact O-N 3.11Å; I12-A15 PolarHBondContact O-N 3.47Å; A15-S18 PolarHBondContact O-N 3.16Å; A15-S18 PolarHBondContact O-OG 2.7Å; A15-G19 PolarHBondContact O-N 2.59Å; A15-G19 VanDerWaalsContact O-N 3.08Å; A15-A20 PolarHBondContact O-N 3.48Å; A15-F22 HydrophobicContact CB-CB 4.04Å; A15-F22 HydrophobicContact CB-CD2 4.09Å; A15-F22 HydrophobicContact CB-CG 4.46Å; A15-V54 HydrophobicContact CB-CB 3.96Å; A15-V54 HydrophobicContact CB-CG1 4.48Å; A15-V54 HydrophobicContact CB-CG2 4.06Å
16	K	88.9	Confident	89.5	Confident	137 Å²	137	44.3 Å²	44.3	60%	0.596	27%	0.272	S	S	*	.	H	α-helix	trans	-64.5	-38.7	176.2	-72.8	-170.8	172.8	-165.6	0	113.2	I12 T14 D85	I12-K16 HydrophobicContact CG2-CD 4.41Å; I12-K16 WeakPolarHBondContact O-CG 3.41Å; I12-K16 PolarHBondContact O-N 3.39Å; T14-K16 VanDerWaalsContact C-N 3.33Å; T14-K16 PolarHBondContact O-N 3.38Å; K16-D85 WeakPolarHBondContact CE-O 3.48Å
17	R	88.1	Confident	89.9	Confident	184 Å²	184	42.8 Å²	42.8	69%	0.694	26%	0.255	S	S	*	.	H	α-helix	trans	-69	-32.6	178.5	-177.8	176.6	62.6	-107.5	-7.5	112.9	A13 T14	A13-R17 VanDerWaalsContact O-CB 3.28Å; A13-R17 WeakPolarHBondContact O-CB 3.43Å; A13-R17 PolarHBondContact O-N 3.3Å; A13-R17 VanDerWaalsContact O-N 3.09Å; T14-R17 PolarHBondContact O-N 2.99Å; T14-R17 VanDerWaalsContact O-N 3.12Å; T14-R17 PolarHBondContact OG1-NH2 3.29Å; T14-R17 VanDerWaalsContact OG1-NH2 3.15Å
18	S	86.4	Confident	90.1	Very high	73 Å²	73	40.2 Å²	40.2	51%	0.51	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	0.3	179.5	64.3	0	0	0	0	114.3	T14 A15 A20	T14-S18 PolarHBondContact O-N 2.88Å; T14-S18 PolarHBondContact O-OG 3.2Å; A15-S18 PolarHBondContact O-N 3.16Å; A15-S18 PolarHBondContact O-OG 2.7Å; S18-A20 PolarHBondContact O-N 3.48Å; S18-A20 VanDerWaalsContact OG-CB 3.23Å; S18-A20 WeakPolarHBondContact OG-CB 3.38Å
19	G	85.6	Confident	90	Very high	50 Å²	50	43.6 Å²	43.6	52%	0.515	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	28.6	-172.5	0	0	0	0	0	113.4	A15 H113	A15-G19 PolarHBondContact O-N 2.59Å; A15-G19 VanDerWaalsContact O-N 3.08Å; G19-H113 PolarHBondContact O-CE1 3.43Å
20	A	89.4	Confident	90	Very high	7 Å²	7	41.4 Å²	41.4	6%	0.058	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-94.9	149.1	-176.9	0	0	0	0	0	111.6	A15 S18 F22 S52 V54	A15-A20 PolarHBondContact O-N 3.48Å; S18-A20 PolarHBondContact O-N 3.48Å; S18-A20 VanDerWaalsContact OG-CB 3.23Å; S18-A20 WeakPolarHBondContact OG-CB 3.38Å; A20-F22 PolarHBondContact O-N 2.74Å; A20-S52 WeakPolarHBondContact CA-O 3.48Å; A20-S52 WeakPolarHBondContact CB-O 3.38Å; A20-V54 HydrophobicContact CB-CG2 4.07Å
21	V	91.3	Very high	89.8	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	129.6	174.7	173.9	0	0	0	0	109.4	S52 F53 V54 F82 L90 V109 H113	V21-S52 PolarHBondContact N-O 3.3Å; V21-F53 HydrophobicContact CB-CD1 3.59Å; V21-F53 HydrophobicContact CB-CE1 3.7Å; V21-F53 HydrophobicContact CB-CG 4.47Å; V21-F53 HydrophobicContact CG1-CD1 3.84Å; V21-F53 HydrophobicContact CG1-CE1 3.85Å; V21-F53 HydrophobicContact CG2-CE1 4.2Å; V21-F53 CarbonylContact O-C 3.6Å; V21-F53 VanDerWaalsContact O-CA 3.29Å; V21-F53 WeakPolarHBondContact O-CA 3.25Å; V21-V54 PolarHBondContact O-N 2.9Å; V21-F82 HydrophobicContact CG1-CB 4.11Å; V21-F82 HydrophobicContact CG1-CD1 4.31Å; V21-L90 HydrophobicContact CG2-CD1 4.43Å; V21-V109 HydrophobicContact CG1-CG1 3.91Å; V21-V109 HydrophobicContact CG2-CG1 4.11Å; V21-H113 HydrophobicContact CG2-CB 3.77Å; V21-H113 VanDerWaalsContact CG2-CD2 3.49Å; V21-H113 WeakPolarHBondContact CG2-CD2 3.33Å
22	F	92.8	Very high	89.8	Confident	18 Å²	18	50.2 Å²	50.2	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	125.7	178.1	-174.7	-119.8	0	0	0	110	I8 A11 I12 A15 A20 V24 V54 I56 I83	I8-F22 HydrophobicContact CG2-CZ 4.48Å; A11-F22 HydrophobicContact CB-CE2 3.72Å; A11-F22 HydrophobicContact CB-CZ 4.36Å; I12-F22 HydrophobicContact CD1-CE1 4.18Å; I12-F22 HydrophobicContact CD1-CZ 4.28Å; I12-F22 HydrophobicContact CG1-CD1 4.14Å; I12-F22 HydrophobicContact CG1-CD2 4.44Å; I12-F22 HydrophobicContact CG1-CE1 3.6Å; I12-F22 HydrophobicContact CG1-CE2 3.96Å; I12-F22 HydrophobicContact CG1-CZ 3.5Å; I12-F22 VanDerWaalsContact CG1-CZ 3.5Å; A15-F22 HydrophobicContact CB-CB 4.04Å; A15-F22 HydrophobicContact CB-CD2 4.09Å; A15-F22 HydrophobicContact CB-CG 4.46Å; A20-F22 PolarHBondContact O-N 2.74Å; F22-V24 HydrophobicContact CD1-CG2 3.87Å; F22-V24 HydrophobicContact CE1-CG2 3.39Å; F22-V24 HydrophobicContact CZ-CG2 4Å; F22-V54 HydrophobicContact CD2-CG1 4.43Å; F22-V54 WeakPolarHBondContact CD2-O 3.31Å; F22-I56 HydrophobicContact CE1-CD1 4.34Å; F22-I56 HydrophobicContact CE2-CD1 4.38Å; F22-I56 HydrophobicContact CE2-CG1 4.2Å; F22-I56 HydrophobicContact CE2-CG2 4.35Å; F22-I56 HydrophobicContact CZ-CD1 3.6Å; F22-I56 HydrophobicContact CZ-CG1 3.81Å; F22-I83 HydrophobicContact CB-CB 4.44Å; F22-I83 HydrophobicContact CD1-CD1 4.38Å; F22-I83 PolarHBondContact N-O 2.94Å; F22-I83 PolarHBondContact O-N 3.43Å
23	V	92.9	Very high	89.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128	-177.7	-175.7	0	0	0	0	109.8	M1 W40 F53 V54 A55 I56 F81 F82	M1-V23 HydrophobicContact CE-CG2 4.49Å; V23-W40 HydrophobicContact CG1-CH2 3.8Å; V23-W40 HydrophobicContact CG1-CZ2 3.96Å; V23-F53 HydrophobicContact CG2-CB 4.21Å; V23-F53 HydrophobicContact CG2-CD1 3.67Å; V23-F53 HydrophobicContact CG2-CG 4.37Å; V23-V54 PolarHBondContact N-O 2.66Å; V23-A55 HydrophobicContact CB-CB 3.96Å; V23-A55 HydrophobicContact CG1-CB 4.44Å; V23-A55 CarbonylContact O-C 3.58Å; V23-A55 WeakPolarHBondContact O-CA 3.4Å; V23-I56 PolarHBondContact O-N 2.76Å; V23-F81 WeakPolarHBondContact CA-O 3.41Å; V23-F82 HydrophobicContact CG1-CE1 4.43Å; V23-F82 HydrophobicContact CG2-CD1 3.75Å; V23-F82 HydrophobicContact CG2-CE1 3.98Å
24	V	92.8	Very high	89.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	109.1	174.9	-174.1	0	0	0	0	109	F22 V26 I56 I58 F68 S80 F81 I83	F22-V24 HydrophobicContact CD1-CG2 3.87Å; F22-V24 HydrophobicContact CE1-CG2 3.39Å; F22-V24 HydrophobicContact CZ-CG2 4Å; V24-V26 HydrophobicContact CG1-CG2 4.24Å; V24-I56 HydrophobicContact CB-CG1 4.39Å; V24-I56 HydrophobicContact CG1-CD1 4.3Å; V24-I56 HydrophobicContact CG1-CG1 4.28Å; V24-I56 HydrophobicContact CG2-CD1 4.1Å; V24-I56 HydrophobicContact CG2-CG1 4.01Å; V24-I58 HydrophobicContact CG1-CD1 3.56Å; V24-I58 HydrophobicContact CG1-CG1 4.07Å; V24-F68 HydrophobicContact CB-CE2 4.02Å; V24-F68 HydrophobicContact CB-CZ 3.95Å; V24-F68 HydrophobicContact CG1-CD2 4.27Å; V24-F68 HydrophobicContact CG1-CE1 4.28Å; V24-F68 HydrophobicContact CG1-CE2 3.87Å; V24-F68 HydrophobicContact CG1-CZ 3.88Å; V24-F68 HydrophobicContact CG2-CE2 3.78Å; V24-F68 HydrophobicContact CG2-CZ 4.18Å; V24-S80 WeakPolarHBondContact O-CA 3.25Å; V24-F81 HydrophobicContact CB-CB 4.41Å; V24-F81 PolarHBondContact N-O 3Å; V24-F81 PolarHBondContact O-N 2.66Å; V24-I83 HydrophobicContact CG2-CD1 4.28Å
25	F	93.1	Very high	89.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.4	171.6	172.1	-138.7	0	0	0	109.4	W3 A27 M36 A37 I56 K57 I58 P78	W3-F25 HydrophobicContact CH2-CB 3.92Å; W3-F25 AromaticContact CH2-CD1 3.48Å; W3-F25 HydrophobicContact CH2-CD1 3.48Å; W3-F25 VanDerWaalsContact CH2-CD1 3.48Å; W3-F25 HydrophobicContact CH2-CE1 4.37Å; W3-F25 HydrophobicContact CH2-CG 4.05Å; W3-F25 HydrophobicContact CZ2-CD1 4.07Å; W3-F25 HydrophobicContact CZ3-CB 3.9Å; W3-F25 HydrophobicContact CZ3-CD1 4.12Å; W3-F25 HydrophobicContact CZ3-CG 4.48Å; F25-A27 HydrophobicContact CE1-CB 4.04Å; F25-A27 HydrophobicContact CE2-CB 4.35Å; F25-A27 HydrophobicContact CZ-CB 3.88Å; F25-M36 HydrophobicContact CD2-CG 4.12Å; F25-M36 HydrophobicContact CE2-CB 4.08Å; F25-M36 HydrophobicContact CE2-CG 3.42Å; F25-M36 VanDerWaalsContact CE2-CG 3.42Å; F25-M36 HydrophobicContact CZ-CB 4.2Å; F25-M36 HydrophobicContact CZ-CG 3.89Å; F25-A37 HydrophobicContact CE1-CB 4.01Å; F25-A37 HydrophobicContact CZ-CB 4.19Å; F25-I56 PolarHBondContact N-O 3.09Å; F25-K57 HydrophobicContact CD1-CB 4.34Å; F25-K57 HydrophobicContact CD1-CD 4.31Å; F25-K57 HydrophobicContact CD1-CG 3.9Å; F25-K57 HydrophobicContact CE1-CD 4.33Å; F25-K57 HydrophobicContact CE1-CG 4.33Å; F25-K57 CarbonylContact O-C 3.55Å; F25-K57 WeakPolarHBondContact O-CA 3.44Å; F25-I58 PolarHBondContact O-N 3.11Å; F25-P78 HydrophobicContact CE2-CB 3.88Å
26	V	93.3	Very high	89.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.4	174.8	-177.5	0	0	0	0	108.8	V24 I58 T60 F68 V74 P78 S79 F81	V24-V26 HydrophobicContact CG1-CG2 4.24Å; V26-I58 WeakPolarHBondContact CA-O 3.43Å; V26-T60 HydrophobicContact CG1-CG2 3.68Å; V26-F68 HydrophobicContact CG2-CD1 4.44Å; V26-F68 HydrophobicContact CG2-CE1 4.36Å; V26-V74 HydrophobicContact CG1-CG1 4.2Å; V26-V74 HydrophobicContact CG2-CG2 4.41Å; V26-P78 WeakPolarHBondContact O-CA 3.42Å; V26-S79 PolarHBondContact N-O 2.81Å; V26-S79 PolarHBondContact O-N 2.79Å; V26-S79 VanDerWaalsContact O-N 3.13Å; V26-F81 HydrophobicContact CG2-CD2 4.49Å; V26-F81 HydrophobicContact CG2-CE2 4.25Å
27	A	92	Very high	90	Very high	5 Å²	5	48.8 Å²	48.8	4%	0.041	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.4	-175.9	0	0	0	0	0	112	F25 K57 I58 D59 T60	F25-A27 HydrophobicContact CE1-CB 4.04Å; F25-A27 HydrophobicContact CE2-CB 4.35Å; F25-A27 HydrophobicContact CZ-CB 3.88Å; A27-K57 HydrophobicContact CB-CG 4.5Å; A27-I58 PolarHBondContact N-O 3.23Å; A27-D59 CarbonylContact O-C 3.56Å; A27-D59 WeakPolarHBondContact O-CA 3.49Å; A27-T60 WeakPolarHBondContact O-CG2 3.15Å; A27-T60 PolarHBondContact O-N 2.93Å; A27-T60 PolarHBondContact O-OG1 3.09Å
28	G	90.1	Very high	90.1	Very high	17 Å²	17	42.8 Å²	42.8	18%	0.175	25%	0.247	C	C	.	.			trans	-106.1	-175.2	168.7	0	0	0	0	0	112.7	D30 S33	G28-D30 PolarHBondContact O-N 2.79Å; G28-S33 PolarHBondContact N-OG 2.93Å; G28-S33 VanDerWaalsContact O-CB 3.29Å; G28-S33 WeakPolarHBondContact O-CB 3.43Å
29	D	86.4	Confident	90.3	Very high	128 Å²	128	40.3 Å²	40.3	68%	0.684	23%	0.23	S	C	*	.	S	Bend	trans	-81.2	5.9	176	-44.9	-71.2	0	0	0	113.4	K61	D29-K61 IonicContact OD1-NZ 2.65Å; D29-K61 PolarHBondContact OD1-NZ 3.22Å; D29-K61 WeakPolarHBondContact OD2-CE 3.12Å; D29-K61 IonicContact OD2-NZ 3.25Å; D29-K61 PolarHBondContact OD2-NZ 2.95Å
30	D	88.1	Confident	90.4	Very high	50 Å²	50	37.9 Å²	37.9	27%	0.267	21%	0.205	S	C	.	.	S	Bend	trans	-92.2	159.7	-167.4	69.3	-82	0	0	0	113.6	G28 Q32 S33 T34	G28-D30 PolarHBondContact O-N 2.79Å; D30-Q32 PolarHBondContact O-N 2.9Å; D30-Q32 VanDerWaalsContact OD2-CA 3.29Å; D30-Q32 WeakPolarHBondContact OD2-CA 3.47Å; D30-Q32 WeakPolarHBondContact OD2-CB 3.49Å; D30-Q32 PolarHBondContact OD2-N 2.69Å; D30-S33 WeakPolarHBondContact O-CB 3.32Å; D30-S33 PolarHBondContact O-N 2.96Å; D30-S33 VanDerWaalsContact O-N 3.17Å; D30-S33 VanDerWaalsContact OD1-CB 3.3Å; D30-S33 WeakPolarHBondContact OD1-CB 3.44Å; D30-S33 PolarHBondContact OD1-OG 2.89Å; D30-S33 PolarHBondContact OD2-N 2.63Å; D30-T34 PolarHBondContact O-N 3.38Å
31	E	88.3	Confident	90.4	Very high	135 Å²	135	43.2 Å²	43.2	63%	0.631	23%	0.229	S	C	*	.	H	α-helix	trans	-60.1	-30.1	179.2	-74.6	-169.4	-143.4	0	0	114.1	T34 R35	E31-T34 PolarHBondContact O-N 2.87Å; E31-R35 WeakPolarHBondContact O-CG 3.48Å; E31-R35 PolarHBondContact O-N 2.9Å; E31-R35 IonicContact OE2-CZ 2.66Å; E31-R35 IonicContact OE2-NE 2.77Å; E31-R35 IonicContact OE2-NH2 3.79Å; E31-R35 PolarHBondContact OE2-NH2 2.99Å
32	Q	88.1	Confident	90.4	Very high	94 Å²	94	45.7 Å²	45.7	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-72.5	-38	179.2	-55.9	-172.3	17.2	0	0	110.2	D30 T34 R35 M36 P78 S96	D30-Q32 PolarHBondContact O-N 2.9Å; D30-Q32 VanDerWaalsContact OD2-CA 3.29Å; D30-Q32 WeakPolarHBondContact OD2-CA 3.47Å; D30-Q32 WeakPolarHBondContact OD2-CB 3.49Å; D30-Q32 PolarHBondContact OD2-N 2.69Å; Q32-T34 VanDerWaalsContact C-N 3.32Å; Q32-T34 PolarHBondContact O-N 3.25Å; Q32-R35 PolarHBondContact O-N 2.82Å; Q32-M36 WeakPolarHBondContact O-CB 3.18Å; Q32-M36 PolarHBondContact O-N 3.22Å; Q32-P78 HydrophobicContact CB-CG 4.05Å; Q32-S96 WeakPolarHBondContact O-CB 3.47Å
33	S	90.6	Very high	90.2	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.028	27%	0.273	C	S	.	.	H	α-helix	trans	-59	-41.8	171.8	-69.5	0	0	0	0	112	G28 D30 M36 A37 P78	G28-S33 PolarHBondContact N-OG 2.93Å; G28-S33 VanDerWaalsContact O-CB 3.29Å; G28-S33 WeakPolarHBondContact O-CB 3.43Å; D30-S33 WeakPolarHBondContact O-CB 3.32Å; D30-S33 PolarHBondContact O-N 2.96Å; D30-S33 VanDerWaalsContact O-N 3.17Å; D30-S33 VanDerWaalsContact OD1-CB 3.3Å; D30-S33 WeakPolarHBondContact OD1-CB 3.44Å; D30-S33 PolarHBondContact OD1-OG 2.89Å; D30-S33 PolarHBondContact OD2-N 2.63Å; S33-M36 PolarHBondContact O-N 2.78Å; S33-A37 WeakPolarHBondContact O-CB 3.32Å; S33-A37 PolarHBondContact O-N 3.03Å; S33-P78 WeakPolarHBondContact OG-CB 3.36Å; S33-P78 WeakPolarHBondContact OG-CD 3.44Å
34	T	91.1	Very high	89.9	Confident	97 Å²	97	56 Å²	56	60%	0.595	29%	0.293	S	S	*	.	H	α-helix	trans	-64.5	-44.5	174	-57.9	0	0	0	0	112.2	D30 E31 Q32 M36 A37 A38	D30-T34 PolarHBondContact O-N 3.38Å; E31-T34 PolarHBondContact O-N 2.87Å; Q32-T34 VanDerWaalsContact C-N 3.32Å; Q32-T34 PolarHBondContact O-N 3.25Å; T34-M36 VanDerWaalsContact C-N 3.34Å; T34-M36 PolarHBondContact O-N 2.93Å; T34-A37 PolarHBondContact O-N 3.09Å; T34-A38 PolarHBondContact O-N 3.18Å
35	R	89.3	Confident	89.7	Confident	144 Å²	144	56 Å²	56	54%	0.543	29%	0.293	S	S	.	.	H	α-helix	trans	-65.3	-35.6	177.1	-67.1	167	-162.2	-155.8	7.2	112.5	E31 Q32 S39	E31-R35 WeakPolarHBondContact O-CG 3.48Å; E31-R35 PolarHBondContact O-N 2.9Å; E31-R35 IonicContact OE2-CZ 2.66Å; E31-R35 IonicContact OE2-NE 2.77Å; E31-R35 IonicContact OE2-NH2 3.79Å; E31-R35 PolarHBondContact OE2-NH2 2.99Å; Q32-R35 PolarHBondContact O-N 2.82Å; R35-S39 WeakPolarHBondContact O-CB 3.48Å; R35-S39 PolarHBondContact O-N 2.98Å; R35-S39 VanDerWaalsContact O-N 3.09Å; R35-S39 PolarHBondContact O-OG 2.98Å
36	M	90.3	Very high	89.3	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-70.1	-42	174.2	178.9	56	91.3	0	0	111.5	F25 Q32 S33 T34 S39 W40 P78 I93 G95 V97 L102	F25-M36 HydrophobicContact CD2-CG 4.12Å; F25-M36 HydrophobicContact CE2-CB 4.08Å; F25-M36 HydrophobicContact CE2-CG 3.42Å; F25-M36 VanDerWaalsContact CE2-CG 3.42Å; F25-M36 HydrophobicContact CZ-CB 4.2Å; F25-M36 HydrophobicContact CZ-CG 3.89Å; Q32-M36 WeakPolarHBondContact O-CB 3.18Å; Q32-M36 PolarHBondContact O-N 3.22Å; S33-M36 PolarHBondContact O-N 2.78Å; T34-M36 VanDerWaalsContact C-N 3.34Å; T34-M36 PolarHBondContact O-N 2.93Å; M36-S39 PolarHBondContact O-N 2.57Å; M36-S39 VanDerWaalsContact O-N 3.16Å; M36-W40 VanDerWaalsContact O-CD1 3.3Å; M36-W40 PolarHBondContact O-N 2.82Å; M36-P78 HydrophobicContact CB-CB 4.23Å; M36-P78 HydrophobicContact CB-CG 4.02Å; M36-P78 HydrophobicContact CG-CB 4.33Å; M36-P78 HydrophobicContact CG-CG 4.49Å; M36-I93 HydrophobicContact CE-CG2 3.78Å; M36-G95 WeakPolarHBondContact CE-O 3.43Å; M36-V97 HydrophobicContact CE-CB 3.95Å; M36-V97 HydrophobicContact CE-CG2 4.23Å; M36-L102 HydrophobicContact SD-CD2 4.44Å
37	A	89.8	Confident	89	Confident	16 Å²	16	65.1 Å²	65.1	13%	0.132	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-47.7	175.1	0	0	0	0	0	111.6	F25 S33 T34 S39 W40 E41	F25-A37 HydrophobicContact CE1-CB 4.01Å; F25-A37 HydrophobicContact CZ-CB 4.19Å; S33-A37 WeakPolarHBondContact O-CB 3.32Å; S33-A37 PolarHBondContact O-N 3.03Å; T34-A37 PolarHBondContact O-N 3.09Å; A37-S39 VanDerWaalsContact C-N 3.28Å; A37-S39 PolarHBondContact O-N 3.12Å; A37-W40 WeakPolarHBondContact O-CB 3.32Å; A37-W40 PolarHBondContact O-N 3.44Å; A37-W40 VanDerWaalsContact O-N 3.07Å; A37-E41 WeakPolarHBondContact O-CG 3.26Å; A37-E41 PolarHBondContact O-N 3.4Å
38	A	90.4	Very high	88.6	Confident	57 Å²	57	65.4 Å²	65.4	47%	0.471	34%	0.341	S	S	.	.	H	α-helix	trans	-59.4	-37.4	174.2	0	0	0	0	0	112.6	T34 W40 E41 D42	T34-A38 PolarHBondContact O-N 3.18Å; A38-W40 VanDerWaalsContact C-N 3.33Å; A38-W40 PolarHBondContact O-N 3.08Å; A38-E41 PolarHBondContact O-N 3.29Å; A38-E41 VanDerWaalsContact O-N 3.11Å; A38-D42 PolarHBondContact O-N 3.36Å; A38-D42 VanDerWaalsContact O-N 3.15Å
39	S	90.5	Very high	88.2	Confident	21 Å²	21	65 Å²	65	15%	0.147	34%	0.336	C	S	.	.	H	α-helix	trans	-71.3	-25.8	176.5	-56.9	0	0	0	0	113.1	R35 M36 A37 V45 V97	R35-S39 WeakPolarHBondContact O-CB 3.48Å; R35-S39 PolarHBondContact O-N 2.98Å; R35-S39 VanDerWaalsContact O-N 3.09Å; R35-S39 PolarHBondContact O-OG 2.98Å; M36-S39 PolarHBondContact O-N 2.57Å; M36-S39 VanDerWaalsContact O-N 3.16Å; A37-S39 VanDerWaalsContact C-N 3.28Å; A37-S39 PolarHBondContact O-N 3.12Å; S39-V45 WeakPolarHBondContact O-CG2 3.36Å; S39-V97 WeakPolarHBondContact CB-O 3.35Å; S39-V97 PolarHBondContact OG-O 3.43Å
40	W	88.9	Confident	87.7	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-77.3	-20.8	167.8	-81.5	114.7	0	0	0	113.2	M1 W3 V23 M36 A37 A38 V45 S80 F82 L102 I106	M1-W40 HydrophobicContact CB-CE3 4.36Å; M1-W40 WeakPolarHBondContact CB-O 3.41Å; M1-W40 HydrophobicContact CE-CE3 4.2Å; M1-W40 HydrophobicContact CE-CH2 4.41Å; M1-W40 HydrophobicContact CE-CZ3 3.66Å; M1-W40 HydrophobicContact CG-CE3 4.41Å; M1-W40 PolarHBondContact N-O 3.07Å; M1-W40 HydrophobicContact SD-CD2 4.23Å; M1-W40 HydrophobicContact SD-CE3 3.35Å; M1-W40 HydrophobicContact SD-CH2 4.37Å; M1-W40 HydrophobicContact SD-CZ3 3.44Å; M1-W40 WeakPolarHBondContact SD-CZ3 3.37Å; W3-W40 HydrophobicContact CH2-CB 3.9Å; W3-W40 HydrophobicContact CH2-CD2 4.23Å; W3-W40 AromaticContact CH2-CG 3.81Å; W3-W40 HydrophobicContact CH2-CG 3.81Å; W3-W40 HydrophobicContact CZ2-CB 3.67Å; W3-W40 HydrophobicContact CZ2-CG 4.11Å; V23-W40 HydrophobicContact CG1-CH2 3.8Å; V23-W40 HydrophobicContact CG1-CZ2 3.96Å; M36-W40 VanDerWaalsContact O-CD1 3.3Å; M36-W40 PolarHBondContact O-N 2.82Å; A37-W40 WeakPolarHBondContact O-CB 3.32Å; A37-W40 PolarHBondContact O-N 3.44Å; A37-W40 VanDerWaalsContact O-N 3.07Å; A38-W40 VanDerWaalsContact C-N 3.33Å; A38-W40 PolarHBondContact O-N 3.08Å; W40-V45 HydrophobicContact CE3-CG1 3.59Å; W40-V45 HydrophobicContact CZ3-CG1 4Å; W40-S80 PolarHBondContact NE1-OG 3.48Å; W40-F82 AromaticContact CH2-CE1 3.94Å; W40-F82 HydrophobicContact CH2-CE1 3.94Å; W40-F82 AromaticContact CH2-CZ 3.62Å; W40-F82 HydrophobicContact CH2-CZ 3.62Å; W40-F82 HydrophobicContact CZ2-CZ 4.04Å; W40-L102 HydrophobicContact CD2-CD2 3.74Å; W40-L102 HydrophobicContact CE3-CD2 3.94Å; W40-L102 HydrophobicContact CG-CD2 4.14Å; W40-L102 HydrophobicContact CH2-CD1 3.93Å; W40-L102 HydrophobicContact CH2-CD2 4.49Å; W40-L102 HydrophobicContact CZ2-CD1 3.84Å; W40-L102 HydrophobicContact CZ2-CD2 4.29Å; W40-L102 HydrophobicContact CZ3-CD1 4.4Å; W40-L102 HydrophobicContact CZ3-CD2 4.31Å; W40-I106 HydrophobicContact CH2-CD1 4.42Å; W40-I106 HydrophobicContact CZ3-CD1 3.97Å
41	E	89.4	Confident	86.9	Confident	119 Å²	119	67.2 Å²	67.2	56%	0.556	35%	0.352	S	S	*	.	H	α-helix	trans	-88	-17.2	-180	-74.7	166.5	-170.7	0	0	113.2	A37 A38	A37-E41 WeakPolarHBondContact O-CG 3.26Å; A37-E41 PolarHBondContact O-N 3.4Å; A38-E41 PolarHBondContact O-N 3.29Å; A38-E41 VanDerWaalsContact O-N 3.11Å
42	D	90.2	Very high	86.6	Confident	55 Å²	55	62.8 Å²	62.8	29%	0.294	34%	0.336	S	S	.	.	S	Bend	trans	-50	139.6	172.5	-171.9	-70.6	0	0	0	113.3	A38 K44 V45 T46 A99	A38-D42 PolarHBondContact O-N 3.36Å; A38-D42 VanDerWaalsContact O-N 3.15Å; D42-K44 PolarHBondContact O-N 3.17Å; D42-K44 WeakPolarHBondContact OD1-CB 3.44Å; D42-K44 WeakPolarHBondContact OD1-CG 3.49Å; D42-K44 PolarHBondContact OD1-N 3.06Å; D42-V45 HydrophobicContact CB-CB 4.44Å; D42-V45 HydrophobicContact CB-CG2 4.43Å; D42-V45 PolarHBondContact O-N 3.1Å; D42-T46 WeakPolarHBondContact O-CB 3.47Å; D42-T46 PolarHBondContact O-N 3.45Å; D42-T46 PolarHBondContact O-OG1 2.94Å; D42-A99 HydrophobicContact CB-CB 3.84Å; D42-A99 WeakPolarHBondContact OD2-CB 3.27Å
43	D	88.3	Confident	86.7	Confident	138 Å²	138	59.3 Å²	59.3	74%	0.738	32%	0.32	S	S	*	.	H	α-helix	trans	-61.3	-40.1	-178.1	-69.7	-45.6	0	0	0	112.5	V45 T46 E47	D43-V45 VanDerWaalsContact C-N 3.31Å; D43-V45 PolarHBondContact O-N 3.36Å; D43-T46 WeakPolarHBondContact O-CB 3.15Å; D43-T46 PolarHBondContact O-N 2.84Å; D43-E47 WeakPolarHBondContact O-CB 3.45Å; D43-E47 PolarHBondContact O-N 3.39Å
44	K	87.4	Confident	86.7	Confident	96 Å²	96	60 Å²	60	42%	0.417	32%	0.324	S	S	.	.	H	α-helix	trans	-61.8	-41.3	178.8	-56	166	176.8	173.3	0	111.1	D42 A48 D100 V103	D42-K44 PolarHBondContact O-N 3.17Å; D42-K44 WeakPolarHBondContact OD1-CB 3.44Å; D42-K44 WeakPolarHBondContact OD1-CG 3.49Å; D42-K44 PolarHBondContact OD1-N 3.06Å; K44-A48 WeakPolarHBondContact O-CB 3.33Å; K44-A48 PolarHBondContact O-N 2.94Å; K44-D100 IonicContact NZ-OD1 3.42Å; K44-D100 PolarHBondContact NZ-OD1 3.44Å; K44-D100 IonicContact NZ-OD2 3.17Å; K44-D100 PolarHBondContact NZ-OD2 3.33Å; K44-V103 HydrophobicContact CB-CG2 3.98Å
45	V	87.5	Confident	86.7	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-72.2	-35.7	179	171.6	0	0	0	0	110.2	S39 W40 D42 D43 S49 A99 L102 V103 I106	S39-V45 WeakPolarHBondContact O-CG2 3.36Å; W40-V45 HydrophobicContact CE3-CG1 3.59Å; W40-V45 HydrophobicContact CZ3-CG1 4Å; D42-V45 HydrophobicContact CB-CB 4.44Å; D42-V45 HydrophobicContact CB-CG2 4.43Å; D42-V45 PolarHBondContact O-N 3.1Å; D43-V45 VanDerWaalsContact C-N 3.31Å; D43-V45 PolarHBondContact O-N 3.36Å; V45-S49 VanDerWaalsContact O-CB 3.29Å; V45-S49 WeakPolarHBondContact O-CB 3.48Å; V45-S49 PolarHBondContact O-N 3.44Å; V45-S49 VanDerWaalsContact O-N 3.08Å; V45-S49 PolarHBondContact O-OG 3.5Å; V45-A99 HydrophobicContact CG2-CB 4.02Å; V45-L102 HydrophobicContact CG1-CD2 3.9Å; V45-L102 HydrophobicContact CG1-CG 4.22Å; V45-L102 HydrophobicContact CG2-CB 4.21Å; V45-L102 HydrophobicContact CG2-CD2 4.08Å; V45-L102 HydrophobicContact CG2-CG 4.14Å; V45-V103 HydrophobicContact CG2-CG2 3.7Å; V45-I106 HydrophobicContact CG1-CD1 3.88Å
46	T	86.3	Confident	86.9	Confident	43 Å²	43	49 Å²	49	26%	0.264	27%	0.272	S	S	.	.	H	α-helix	trans	-65.8	-42.8	174.3	-56.9	0	0	0	0	112.1	M1 D42 D43 S49 S50	M1-T46 WeakPolarHBondContact CA-OG1 3.26Å; M1-T46 PolarHBondContact N-OG1 3.47Å; D42-T46 WeakPolarHBondContact O-CB 3.47Å; D42-T46 PolarHBondContact O-N 3.45Å; D42-T46 PolarHBondContact O-OG1 2.94Å; D43-T46 WeakPolarHBondContact O-CB 3.15Å; D43-T46 PolarHBondContact O-N 2.84Å; T46-S49 PolarHBondContact O-OG 3.38Å; T46-S50 PolarHBondContact O-N 3.1Å
47	E	85.8	Confident	87	Confident	149 Å²	149	54.1 Å²	54.1	70%	0.696	29%	0.294	S	S	*	.	H	α-helix	trans	-65.3	-53	174.1	-174.8	-178	-166.5	0	0	111.3	D43 S49 S50	D43-E47 WeakPolarHBondContact O-CB 3.45Å; D43-E47 PolarHBondContact O-N 3.39Å; E47-S49 PolarHBondContact O-N 3.15Å; E47-S49 VanDerWaalsContact O-N 3.17Å; E47-S50 VanDerWaalsContact O-CB 3.3Å; E47-S50 WeakPolarHBondContact O-CB 3.38Å; E47-S50 PolarHBondContact O-N 2.78Å; E47-S50 PolarHBondContact O-OG 2.98Å
48	A	83.4	Confident	87	Confident	11 Å²	11	53.7 Å²	53.7	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-62.5	-25.4	-176.9	0	0	0	0	0	113.9	K44 V103 I106	K44-A48 WeakPolarHBondContact O-CB 3.33Å; K44-A48 PolarHBondContact O-N 2.94Å; A48-V103 HydrophobicContact CB-CG1 4.12Å; A48-V103 HydrophobicContact CB-CG2 4.21Å; A48-I106 HydrophobicContact CB-CG2 4.11Å; A48-I106 WeakPolarHBondContact O-CG2 3.46Å
49	S	82.2	Confident	87	Confident	8 Å²	8	55.1 Å²	55.1	6%	0.056	29%	0.29	C	S	.	.	H	α-helix	trans	-93.3	-7.1	176.1	61	0	0	0	0	114.9	V45 T46 E47 F53	V45-S49 VanDerWaalsContact O-CB 3.29Å; V45-S49 WeakPolarHBondContact O-CB 3.48Å; V45-S49 PolarHBondContact O-N 3.44Å; V45-S49 VanDerWaalsContact O-N 3.08Å; V45-S49 PolarHBondContact O-OG 3.5Å; T46-S49 PolarHBondContact O-OG 3.38Å; E47-S49 PolarHBondContact O-N 3.15Å; E47-S49 VanDerWaalsContact O-N 3.17Å; S49-F53 WeakPolarHBondContact O-CD2 3.3Å
50	S	76.1	Confident	87	Confident	60 Å²	60	56.1 Å²	56.1	42%	0.42	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	143.5	179.7	68	0	0	0	0	112.4	T46 E47 S52	T46-S50 PolarHBondContact O-N 3.1Å; E47-S50 VanDerWaalsContact O-CB 3.3Å; E47-S50 WeakPolarHBondContact O-CB 3.38Å; E47-S50 PolarHBondContact O-N 2.78Å; E47-S50 PolarHBondContact O-OG 2.98Å; S50-S52 PolarHBondContact O-N 3.38Å; S50-S52 PolarHBondContact O-OG 2.87Å
51	N	72.4	Confident	86.8	Confident	164 Å²	164	63.3 Å²	63.3	88%	0.877	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	-13.3	177.4	-55.9	-30.2	0	0	0	117.9
52	S	81.8	Confident	86.8	Confident	43 Å²	43	59.4 Å²	59.4	30%	0.301	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-10.3	-171.2	-52.6	0	0	0	0	114.3	A20 V21 S50	A20-S52 WeakPolarHBondContact CA-O 3.48Å; A20-S52 WeakPolarHBondContact CB-O 3.38Å; V21-S52 PolarHBondContact N-O 3.3Å; S50-S52 PolarHBondContact O-N 3.38Å; S50-S52 PolarHBondContact O-OG 2.87Å
53	F	89.1	Confident	86.7	Confident	21 Å²	21	63.3 Å²	63.3	9%	0.092	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.3	-174.2	-62	-97	0	0	0	111.6	M1 V21 V23 S49 F82 I106 V109 R110	M1-F53 HydrophobicContact CE-CB 4.09Å; V21-F53 HydrophobicContact CB-CD1 3.59Å; V21-F53 HydrophobicContact CB-CE1 3.7Å; V21-F53 HydrophobicContact CB-CG 4.47Å; V21-F53 HydrophobicContact CG1-CD1 3.84Å; V21-F53 HydrophobicContact CG1-CE1 3.85Å; V21-F53 HydrophobicContact CG2-CE1 4.2Å; V21-F53 CarbonylContact O-C 3.6Å; V21-F53 VanDerWaalsContact O-CA 3.29Å; V21-F53 WeakPolarHBondContact O-CA 3.25Å; V23-F53 HydrophobicContact CG2-CB 4.21Å; V23-F53 HydrophobicContact CG2-CD1 3.67Å; V23-F53 HydrophobicContact CG2-CG 4.37Å; S49-F53 WeakPolarHBondContact O-CD2 3.3Å; F53-F82 HydrophobicContact CD1-CD1 4.26Å; F53-F82 HydrophobicContact CD1-CE1 4.42Å; F53-F82 AromaticContact CE1-CD1 3.93Å; F53-F82 HydrophobicContact CE1-CD1 3.93Å; F53-F82 HydrophobicContact CE1-CE1 4.13Å; F53-I106 HydrophobicContact CE2-CG2 3.67Å; F53-I106 HydrophobicContact CZ-CG2 3.76Å; F53-V109 HydrophobicContact CE1-CG1 3.91Å; F53-V109 HydrophobicContact CZ-CG1 4.39Å; F53-R110 HydrophobicContact CZ-CB 4.41Å
54	V	90.9	Very high	86.6	Confident	18 Å²	18	58.1 Å²	58.1	11%	0.109	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	112.1	170.8	176.1	0	0	0	0	108	F4 A11 T14 A15 A20 V21 F22 V23	F4-V54 HydrophobicContact CB-CG1 4.36Å; F4-V54 HydrophobicContact CD2-CG1 4.13Å; F4-V54 HydrophobicContact CG-CG1 4.42Å; A11-V54 HydrophobicContact CB-CG1 4.38Å; T14-V54 HydrophobicContact CG2-CG2 4.43Å; A15-V54 HydrophobicContact CB-CB 3.96Å; A15-V54 HydrophobicContact CB-CG1 4.48Å; A15-V54 HydrophobicContact CB-CG2 4.06Å; A20-V54 HydrophobicContact CB-CG2 4.07Å; V21-V54 PolarHBondContact O-N 2.9Å; F22-V54 HydrophobicContact CD2-CG1 4.43Å; F22-V54 WeakPolarHBondContact CD2-O 3.31Å; V23-V54 PolarHBondContact N-O 2.66Å
55	A	91.6	Very high	86.6	Confident	2 Å²	2	53.9 Å²	53.9	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.9	-173.8	0	0	0	0	0	113.7	M1 W3 F4 V23	M1-A55 HydrophobicContact CE-CB 3.52Å; M1-A55 HydrophobicContact CG-CB 4.43Å; M1-A55 HydrophobicContact SD-CB 3.37Å; M1-A55 WeakPolarHBondContact SD-CB 3.44Å; W3-A55 HydrophobicContact CE3-CB 3.87Å; W3-A55 HydrophobicContact CZ3-CB 3.93Å; F4-A55 VanDerWaalsContact CB-O 3.32Å; F4-A55 WeakPolarHBondContact CB-O 3.43Å; F4-A55 PolarHBondContact N-O 2.82Å; V23-A55 HydrophobicContact CB-CB 3.96Å; V23-A55 HydrophobicContact CG1-CB 4.44Å; V23-A55 CarbonylContact O-C 3.58Å; V23-A55 WeakPolarHBondContact O-CA 3.4Å
56	I	92.3	Very high	86.7	Confident	7 Å²	7	58.9 Å²	58.9	4%	0.036	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.4	165	57.2	165.7	0	0	0	110.5	F4 I8 A11 F22 V23 V24 F25 I58	F4-I56 HydrophobicContact CB-CG2 4.11Å; I8-I56 HydrophobicContact CB-CD1 4.35Å; I8-I56 HydrophobicContact CD1-CD1 3.99Å; I8-I56 HydrophobicContact CG1-CD1 3.76Å; I8-I56 HydrophobicContact CG2-CD1 3.91Å; A11-I56 HydrophobicContact CB-CG2 3.69Å; F22-I56 HydrophobicContact CE1-CD1 4.34Å; F22-I56 HydrophobicContact CE2-CD1 4.38Å; F22-I56 HydrophobicContact CE2-CG1 4.2Å; F22-I56 HydrophobicContact CE2-CG2 4.35Å; F22-I56 HydrophobicContact CZ-CD1 3.6Å; F22-I56 HydrophobicContact CZ-CG1 3.81Å; V23-I56 PolarHBondContact O-N 2.76Å; V24-I56 HydrophobicContact CB-CG1 4.39Å; V24-I56 HydrophobicContact CG1-CD1 4.3Å; V24-I56 HydrophobicContact CG1-CG1 4.28Å; V24-I56 HydrophobicContact CG2-CD1 4.1Å; V24-I56 HydrophobicContact CG2-CG1 4.01Å; F25-I56 PolarHBondContact N-O 3.09Å; I56-I58 HydrophobicContact CD1-CD1 3.8Å; I56-I58 HydrophobicContact CD1-CG1 3.96Å; I56-I58 HydrophobicContact CG1-CG1 4.45Å
57	K	91.9	Very high	86.8	Confident	108 Å²	108	61.9 Å²	61.9	47%	0.47	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.9	165.5	-178.7	-179	174.6	-170.7	0	108.5	W3 F25 A27 D59	W3-K57 HydrophobicContact CD2-CB 4.49Å; W3-K57 HydrophobicContact CE3-CB 4.15Å; W3-K57 HydrophobicContact CZ3-CB 4.32Å; F25-K57 HydrophobicContact CD1-CB 4.34Å; F25-K57 HydrophobicContact CD1-CD 4.31Å; F25-K57 HydrophobicContact CD1-CG 3.9Å; F25-K57 HydrophobicContact CE1-CD 4.33Å; F25-K57 HydrophobicContact CE1-CG 4.33Å; F25-K57 CarbonylContact O-C 3.55Å; F25-K57 WeakPolarHBondContact O-CA 3.44Å; A27-K57 HydrophobicContact CB-CG 4.5Å; K57-D59 VanDerWaalsContact CE-OD1 3.29Å; K57-D59 WeakPolarHBondContact CE-OD1 3.4Å; K57-D59 IonicContact NZ-OD1 3.71Å
58	I	91.6	Very high	86.9	Confident	8 Å²	8	55.9 Å²	55.9	4%	0.041	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.8	174.4	-54.1	-177.2	0	0	0	107.9	I8 V24 F25 V26 A27 I56 S62 A64 C65	I8-I58 HydrophobicContact CD1-CD1 3.86Å; I8-I58 HydrophobicContact CD1-CG1 4.31Å; V24-I58 HydrophobicContact CG1-CD1 3.56Å; V24-I58 HydrophobicContact CG1-CG1 4.07Å; F25-I58 PolarHBondContact O-N 3.11Å; V26-I58 WeakPolarHBondContact CA-O 3.43Å; A27-I58 PolarHBondContact N-O 3.23Å; I56-I58 HydrophobicContact CD1-CD1 3.8Å; I56-I58 HydrophobicContact CD1-CG1 3.96Å; I56-I58 HydrophobicContact CG1-CG1 4.45Å; I58-S62 VanDerWaalsContact CG2-OG 3.23Å; I58-S62 WeakPolarHBondContact CG2-OG 3.24Å; I58-A64 HydrophobicContact CG2-CB 4.09Å; I58-C65 HydrophobicContact CG2-CB 3.79Å
59	D	90	Very high	87.1	Confident	86 Å²	86	57.2 Å²	57.2	46%	0.46	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	139.9	173.7	-52.1	-56.7	0	0	0	110.5	A27 K57 K61 S62	A27-D59 CarbonylContact O-C 3.56Å; A27-D59 WeakPolarHBondContact O-CA 3.49Å; K57-D59 VanDerWaalsContact CE-OD1 3.29Å; K57-D59 WeakPolarHBondContact CE-OD1 3.4Å; K57-D59 IonicContact NZ-OD1 3.71Å; D59-K61 PolarHBondContact O-N 3.03Å; D59-K61 VanDerWaalsContact O-N 3.1Å; D59-S62 VanDerWaalsContact O-CB 3.3Å; D59-S62 WeakPolarHBondContact O-CB 3.33Å; D59-S62 PolarHBondContact O-N 2.89Å; D59-S62 PolarHBondContact O-OG 3.43Å
60	T	89.2	Confident	87.4	Confident	42 Å²	42	64.5 Å²	64.5	26%	0.258	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.3	-173.7	47.1	0	0	0	0	115	V26 A27 S62 V77	V26-T60 HydrophobicContact CG1-CG2 3.68Å; A27-T60 WeakPolarHBondContact O-CG2 3.15Å; A27-T60 PolarHBondContact O-N 2.93Å; A27-T60 PolarHBondContact O-OG1 3.09Å; T60-S62 VanDerWaalsContact C-N 3.28Å; T60-S62 PolarHBondContact O-N 3.02Å; T60-V77 HydrophobicContact CG2-CB 4.4Å; T60-V77 HydrophobicContact CG2-CG1 3.72Å; T60-V77 HydrophobicContact CG2-CG2 3.7Å
61	K	85.8	Confident	87.8	Confident	152 Å²	152	67.3 Å²	67.3	66%	0.661	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.6	177.5	-66.6	170	-179.2	160.3	0	113.8	D29 D59	D29-K61 IonicContact OD1-NZ 2.65Å; D29-K61 PolarHBondContact OD1-NZ 3.22Å; D29-K61 WeakPolarHBondContact OD2-CE 3.12Å; D29-K61 IonicContact OD2-NZ 3.25Å; D29-K61 PolarHBondContact OD2-NZ 2.95Å; D59-K61 PolarHBondContact O-N 3.03Å; D59-K61 VanDerWaalsContact O-N 3.1Å
62	S	89.4	Confident	88.5	Confident	37 Å²	37	61.7 Å²	61.7	26%	0.259	31%	0.314	S	S	.	.	S	Bend	trans	-78.5	147.9	-177.9	69.1	0	0	0	0	112.1	I58 D59 T60 A64 C65 L66	I58-S62 VanDerWaalsContact CG2-OG 3.23Å; I58-S62 WeakPolarHBondContact CG2-OG 3.24Å; D59-S62 VanDerWaalsContact O-CB 3.3Å; D59-S62 WeakPolarHBondContact O-CB 3.33Å; D59-S62 PolarHBondContact O-N 2.89Å; D59-S62 PolarHBondContact O-OG 3.43Å; T60-S62 VanDerWaalsContact C-N 3.28Å; T60-S62 PolarHBondContact O-N 3.02Å; S62-A64 PolarHBondContact O-N 2.91Å; S62-C65 WeakPolarHBondContact O-CB 3.32Å; S62-C65 PolarHBondContact O-N 2.92Å; S62-C65 PolarHBondContact OG-N 3.08Å; S62-L66 PolarHBondContact O-N 3.35Å
63	E	87	Confident	88.6	Confident	136 Å²	136	64.1 Å²	64.1	64%	0.636	33%	0.329	S	S	*	.	H	α-helix	trans	-58	-33.6	172.5	-162.6	-165.6	145.2	0	0	111.4	C65 L66 Q67	E63-C65 VanDerWaalsContact C-N 3.27Å; E63-C65 PolarHBondContact O-N 3.01Å; E63-L66 WeakPolarHBondContact O-CA 3.28Å; E63-L66 WeakPolarHBondContact O-CB 3.37Å; E63-L66 PolarHBondContact O-N 3.49Å; E63-Q67 WeakPolarHBondContact O-CG 3.45Å; E63-Q67 PolarHBondContact O-N 3.1Å; E63-Q67 PolarHBondContact OE1-NE2 2.89Å
64	A	87.5	Confident	88.4	Confident	29 Å²	29	64.9 Å²	64.9	24%	0.24	34%	0.335	C	S	.	.	H	α-helix	trans	-57.6	-35.4	173.8	0	0	0	0	0	113.1	I8 I58 S62 F68	I8-A64 HydrophobicContact CD1-CB 3.74Å; I58-A64 HydrophobicContact CG2-CB 4.09Å; S62-A64 PolarHBondContact O-N 2.91Å; A64-F68 WeakPolarHBondContact O-CB 3.47Å; A64-F68 PolarHBondContact O-N 2.92Å
65	C	87.5	Confident	87.9	Confident	7 Å²	7	70.1 Å²	70.1	5%	0.047	37%	0.366	C	S	.	.	H	α-helix	trans	-70.4	-36	174	-166.2	0	0	0	0	112	I58 S62 E63 F68 S69	I58-C65 HydrophobicContact CG2-CB 3.79Å; S62-C65 WeakPolarHBondContact O-CB 3.32Å; S62-C65 PolarHBondContact O-N 2.92Å; S62-C65 PolarHBondContact OG-N 3.08Å; E63-C65 VanDerWaalsContact C-N 3.27Å; E63-C65 PolarHBondContact O-N 3.01Å; C65-F68 PolarHBondContact O-N 3.08Å; C65-S69 VanDerWaalsContact O-CB 3.29Å; C65-S69 WeakPolarHBondContact O-CB 3.28Å; C65-S69 PolarHBondContact O-N 3.06Å; C65-S69 PolarHBondContact O-OG 3.49Å
66	L	87.9	Confident	87.4	Confident	106 Å²	106	72.8 Å²	72.8	56%	0.555	38%	0.384	S	S	*	.	H	α-helix	trans	-67.4	-43.1	175.8	-62.3	177.2	0	0	0	111	S62 E63 S69 Q70	S62-L66 PolarHBondContact O-N 3.35Å; E63-L66 WeakPolarHBondContact O-CA 3.28Å; E63-L66 WeakPolarHBondContact O-CB 3.37Å; E63-L66 PolarHBondContact O-N 3.49Å; L66-S69 PolarHBondContact O-OG 3.27Å; L66-S69 VanDerWaalsContact O-OG 3.09Å; L66-Q70 WeakPolarHBondContact O-CG 3.34Å; L66-Q70 PolarHBondContact O-N 3.06Å
67	Q	88.6	Confident	87.2	Confident	105 Å²	105	75.1 Å²	75.1	49%	0.491	40%	0.399	S	S	.	.	H	α-helix	trans	-64.2	-41.8	173.7	-65.1	176.9	10.5	0	0	111.9	E63	E63-Q67 WeakPolarHBondContact O-CG 3.45Å; E63-Q67 PolarHBondContact O-N 3.1Å; E63-Q67 PolarHBondContact OE1-NE2 2.89Å
68	F	88.9	Confident	87.2	Confident	24 Å²	24	70 Å²	70	11%	0.105	38%	0.376	C	S	.	.	H	α-helix	trans	-65.2	-44.5	177.7	-177.6	-96.5	0	0	0	112.6	V24 V26 A64 C65 Q70 I71 Y72 V74 F81 I83	V24-F68 HydrophobicContact CB-CE2 4.02Å; V24-F68 HydrophobicContact CB-CZ 3.95Å; V24-F68 HydrophobicContact CG1-CD2 4.27Å; V24-F68 HydrophobicContact CG1-CE1 4.28Å; V24-F68 HydrophobicContact CG1-CE2 3.87Å; V24-F68 HydrophobicContact CG1-CZ 3.88Å; V24-F68 HydrophobicContact CG2-CE2 3.78Å; V24-F68 HydrophobicContact CG2-CZ 4.18Å; V26-F68 HydrophobicContact CG2-CD1 4.44Å; V26-F68 HydrophobicContact CG2-CE1 4.36Å; A64-F68 WeakPolarHBondContact O-CB 3.47Å; A64-F68 PolarHBondContact O-N 2.92Å; C65-F68 PolarHBondContact O-N 3.08Å; F68-Q70 VanDerWaalsContact C-N 3.26Å; F68-Q70 PolarHBondContact O-N 3.3Å; F68-I71 PolarHBondContact O-N 2.88Å; F68-Y72 AromaticContact CD2-CD2 3.85Å; F68-Y72 HydrophobicContact CD2-CD2 3.85Å; F68-Y72 HydrophobicContact CD2-CE2 4.41Å; F68-Y72 HydrophobicContact CE1-CD2 4.23Å; F68-Y72 HydrophobicContact CE1-CG 4.48Å; F68-Y72 AromaticContact CE2-CD2 3.35Å; F68-Y72 HydrophobicContact CE2-CD2 3.35Å; F68-Y72 AromaticContact CE2-CE2 3.89Å; F68-Y72 HydrophobicContact CE2-CE2 3.89Å; F68-Y72 HydrophobicContact CE2-CG 4.25Å; F68-Y72 HydrophobicContact CG-CD2 4.46Å; F68-Y72 AromaticContact CZ-CD2 3.58Å; F68-Y72 HydrophobicContact CZ-CD2 3.58Å; F68-Y72 HydrophobicContact CZ-CE2 4.43Å; F68-Y72 HydrophobicContact CZ-CG 4.02Å; F68-Y72 PolarHBondContact O-N 2.98Å; F68-V74 HydrophobicContact CD1-CG2 3.98Å; F68-V74 HydrophobicContact CE1-CG2 4.19Å; F68-F81 HydrophobicContact CE1-CD1 4.43Å; F68-F81 AromaticContact CE1-CD2 3.78Å; F68-F81 HydrophobicContact CE1-CD2 3.78Å; F68-F81 HydrophobicContact CE1-CE1 4.42Å; F68-F81 AromaticContact CE1-CE2 3.78Å; F68-F81 HydrophobicContact CE1-CE2 3.78Å; F68-F81 HydrophobicContact CE1-CG 4.13Å; F68-F81 HydrophobicContact CE1-CZ 4.12Å; F68-F81 HydrophobicContact CZ-CB 4.21Å; F68-F81 HydrophobicContact CZ-CD1 4.29Å; F68-F81 AromaticContact CZ-CD2 3.92Å; F68-F81 HydrophobicContact CZ-CD2 3.92Å; F68-F81 HydrophobicContact CZ-CE2 4.37Å; F68-F81 AromaticContact CZ-CG 3.89Å; F68-F81 HydrophobicContact CZ-CG 3.89Å; F68-I83 HydrophobicContact CE2-CD1 4.1Å; F68-I83 HydrophobicContact CZ-CD1 4.3Å
69	S	88.3	Confident	87.1	Confident	39 Å²	39	69.7 Å²	69.7	27%	0.273	38%	0.375	S	S	.	.	H	α-helix	trans	-68.4	-18.7	-176.8	56.2	0	0	0	0	114.8	C65 L66 I71 Y72	C65-S69 VanDerWaalsContact O-CB 3.29Å; C65-S69 WeakPolarHBondContact O-CB 3.28Å; C65-S69 PolarHBondContact O-N 3.06Å; C65-S69 PolarHBondContact O-OG 3.49Å; L66-S69 PolarHBondContact O-OG 3.27Å; L66-S69 VanDerWaalsContact O-OG 3.09Å; S69-I71 VanDerWaalsContact C-N 3.28Å; S69-Y72 WeakPolarHBondContact CA-O 3.41Å
70	Q	86.8	Confident	87.2	Confident	161 Å²	161	65.6 Å²	65.6	75%	0.752	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-26.6	168.4	-70.2	170.7	26	0	0	113	L66 F68	L66-Q70 WeakPolarHBondContact O-CG 3.34Å; L66-Q70 PolarHBondContact O-N 3.06Å; F68-Q70 VanDerWaalsContact C-N 3.26Å; F68-Q70 PolarHBondContact O-N 3.3Å
71	I	86.1	Confident	87.4	Confident	119 Å²	119	64.1 Å²	64.1	61%	0.61	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-42.3	-177.2	-53.9	176.9	0	0	0	110.6	F68 S69	F68-I71 PolarHBondContact O-N 2.88Å; S69-I71 VanDerWaalsContact C-N 3.28Å
72	Y	86.2	Confident	87.7	Confident	46 Å²	46	56.9 Å²	56.9	18%	0.18	31%	0.312	C	S	.	.	S	Bend	trans	-126	98.3	179.2	-51.5	-75	0	0	0	109.5	F68 S69 V74 I83 G87 P89	F68-Y72 AromaticContact CD2-CD2 3.85Å; F68-Y72 HydrophobicContact CD2-CD2 3.85Å; F68-Y72 HydrophobicContact CD2-CE2 4.41Å; F68-Y72 HydrophobicContact CE1-CD2 4.23Å; F68-Y72 HydrophobicContact CE1-CG 4.48Å; F68-Y72 AromaticContact CE2-CD2 3.35Å; F68-Y72 HydrophobicContact CE2-CD2 3.35Å; F68-Y72 AromaticContact CE2-CE2 3.89Å; F68-Y72 HydrophobicContact CE2-CE2 3.89Å; F68-Y72 HydrophobicContact CE2-CG 4.25Å; F68-Y72 HydrophobicContact CG-CD2 4.46Å; F68-Y72 AromaticContact CZ-CD2 3.58Å; F68-Y72 HydrophobicContact CZ-CD2 3.58Å; F68-Y72 HydrophobicContact CZ-CE2 4.43Å; F68-Y72 HydrophobicContact CZ-CG 4.02Å; F68-Y72 PolarHBondContact O-N 2.98Å; S69-Y72 WeakPolarHBondContact CA-O 3.41Å; Y72-V74 PolarHBondContact O-N 2.79Å; Y72-V74 VanDerWaalsContact O-N 3.07Å; Y72-I83 HydrophobicContact CD2-CD1 4.29Å; Y72-I83 HydrophobicContact CE1-CD1 4.45Å; Y72-I83 HydrophobicContact CE2-CD1 3.85Å; Y72-G87 PolarHBondContact OH-O 2.96Å; Y72-G87 VanDerWaalsContact OH-O 3.1Å; Y72-P89 HydrophobicContact CD1-CG 4.42Å
73	P	84.3	Confident	87.8	Confident	94 Å²	94	55.6 Å²	55.6	61%	0.61	30%	0.302	S	S	*	.			trans	-55.9	114.3	-174	-30	37	0	0	0	113.6	V75	P73-V75 PolarHBondContact O-N 3.38Å; P73-V75 VanDerWaalsContact O-N 3.13Å
74	V	84.7	Confident	87.7	Confident	37 Å²	37	49.5 Å²	49.5	22%	0.224	28%	0.276	C	S	.	.			trans	-81.9	89.4	177.5	-178.8	0	0	0	0	108.8	V26 F68 Y72 V77 F81	V26-V74 HydrophobicContact CG1-CG1 4.2Å; V26-V74 HydrophobicContact CG2-CG2 4.41Å; F68-V74 HydrophobicContact CD1-CG2 3.98Å; F68-V74 HydrophobicContact CE1-CG2 4.19Å; Y72-V74 PolarHBondContact O-N 2.79Å; Y72-V74 VanDerWaalsContact O-N 3.07Å; V74-V77 HydrophobicContact CG1-CG2 4.2Å; V74-F81 HydrophobicContact CG2-CE2 4.23Å; V74-F81 HydrophobicContact CG2-CZ 4.16Å
75	V	81	Confident	87.5	Confident	127 Å²	127	51.3 Å²	51.3	77%	0.77	28%	0.281	S	S	*	.			trans	-79.8	-25	-178.1	-175.7	0	0	0	0	112.5	P73	P73-V75 PolarHBondContact O-N 3.38Å; P73-V75 VanDerWaalsContact O-N 3.13Å
76	C	81.1	Confident	87.1	Confident	58 Å²	58	53.6 Å²	53.6	39%	0.392	30%	0.298	S	S	.	.	S	Bend	trans	-139.8	151.7	-178.3	-58.4	0	0	0	0	111.4	S79 A94	C76-S79 VanDerWaalsContact O-CB 3.31Å; C76-S79 WeakPolarHBondContact O-CB 3.01Å; C76-S79 PolarHBondContact O-OG 3.17Å; C76-A94 HydrophobicContact CB-CB 3.89Å
77	V	87.1	Confident	86.6	Confident	56 Å²	56	50.1 Å²	50.1	34%	0.339	29%	0.287	S	S	.	.	S	Bend	trans	-129.6	131.5	177.2	-178	0	0	0	0	107.4	T60 V74	T60-V77 HydrophobicContact CG2-CB 4.4Å; T60-V77 HydrophobicContact CG2-CG1 3.72Å; T60-V77 HydrophobicContact CG2-CG2 3.7Å; V74-V77 HydrophobicContact CG1-CG2 4.2Å
78	P	91.2	Very high	86.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.288	C	S	.	.	S	Bend	cis	-62.7	162.4	-9.8	28.4	-36.1	0	0	0	112.4	F25 V26 Q32 S33 M36 G95	F25-P78 HydrophobicContact CE2-CB 3.88Å; V26-P78 WeakPolarHBondContact O-CA 3.42Å; Q32-P78 HydrophobicContact CB-CG 4.05Å; S33-P78 WeakPolarHBondContact OG-CB 3.36Å; S33-P78 WeakPolarHBondContact OG-CD 3.44Å; M36-P78 HydrophobicContact CB-CB 4.23Å; M36-P78 HydrophobicContact CB-CG 4.02Å; M36-P78 HydrophobicContact CG-CB 4.33Å; M36-P78 HydrophobicContact CG-CG 4.49Å; P78-G95 PolarHBondContact O-N 2.76Å
79	S	91.3	Very high	86.1	Confident	3 Å²	3	51 Å²	51	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	152.3	165.4	40.8	0	0	0	0	111.6	V26 C76 F81 I93	V26-S79 PolarHBondContact N-O 2.81Å; V26-S79 PolarHBondContact O-N 2.79Å; V26-S79 VanDerWaalsContact O-N 3.13Å; C76-S79 VanDerWaalsContact O-CB 3.31Å; C76-S79 WeakPolarHBondContact O-CB 3.01Å; C76-S79 PolarHBondContact O-OG 3.17Å; S79-F81 WeakPolarHBondContact OG-CE2 3.48Å; S79-I93 CarbonylContact C-O 3.57Å; S79-I93 WeakPolarHBondContact CA-O 3.18Å; S79-I93 VanDerWaalsContact CB-O 3.3Å; S79-I93 WeakPolarHBondContact CB-O 3.36Å
80	S	92.3	Very high	85.9	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119.5	177.7	-61	0	0	0	0	110.1	V24 W40 V92 I93	V24-S80 WeakPolarHBondContact O-CA 3.25Å; W40-S80 PolarHBondContact NE1-OG 3.48Å; S80-V92 WeakPolarHBondContact O-CA 3.38Å; S80-I93 PolarHBondContact N-O 3.44Å; S80-I93 PolarHBondContact O-N 3.29Å
81	F	92.5	Very high	85.9	Confident	11 Å²	11	44.1 Å²	44.1	5%	0.048	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.7	-177.8	-63.2	-103.9	0	0	0	109.9	V23 V24 V26 F68 V74 S79 I83 V92	V23-F81 WeakPolarHBondContact CA-O 3.41Å; V24-F81 HydrophobicContact CB-CB 4.41Å; V24-F81 PolarHBondContact N-O 3Å; V24-F81 PolarHBondContact O-N 2.66Å; V26-F81 HydrophobicContact CG2-CD2 4.49Å; V26-F81 HydrophobicContact CG2-CE2 4.25Å; F68-F81 HydrophobicContact CE1-CD1 4.43Å; F68-F81 AromaticContact CE1-CD2 3.78Å; F68-F81 HydrophobicContact CE1-CD2 3.78Å; F68-F81 HydrophobicContact CE1-CE1 4.42Å; F68-F81 AromaticContact CE1-CE2 3.78Å; F68-F81 HydrophobicContact CE1-CE2 3.78Å; F68-F81 HydrophobicContact CE1-CG 4.13Å; F68-F81 HydrophobicContact CE1-CZ 4.12Å; F68-F81 HydrophobicContact CZ-CB 4.21Å; F68-F81 HydrophobicContact CZ-CD1 4.29Å; F68-F81 AromaticContact CZ-CD2 3.92Å; F68-F81 HydrophobicContact CZ-CD2 3.92Å; F68-F81 HydrophobicContact CZ-CE2 4.37Å; F68-F81 AromaticContact CZ-CG 3.89Å; F68-F81 HydrophobicContact CZ-CG 3.89Å; V74-F81 HydrophobicContact CG2-CE2 4.23Å; V74-F81 HydrophobicContact CG2-CZ 4.16Å; S79-F81 WeakPolarHBondContact OG-CE2 3.48Å; F81-I83 HydrophobicContact CB-CD1 4.39Å; F81-I83 HydrophobicContact CB-CG1 4.31Å; F81-V92 HydrophobicContact CD1-CB 4.33Å; F81-V92 HydrophobicContact CD1-CG1 3.77Å; F81-V92 HydrophobicContact CD1-CG2 3.6Å; F81-V92 HydrophobicContact CE1-CG1 3.67Å; F81-V92 HydrophobicContact CE1-CG2 4Å; F81-V92 HydrophobicContact CE2-CG1 4.48Å; F81-V92 HydrophobicContact CG-CG1 4.23Å; F81-V92 HydrophobicContact CG-CG2 4.41Å; F81-V92 HydrophobicContact CZ-CG1 4.05Å
82	F	92.1	Very high	86	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	109.7	172.9	-64.3	-97.3	0	0	0	108.9	V21 V23 W40 F53 P89 L90 E91 I93 L102 I106 V109	V21-F82 HydrophobicContact CG1-CB 4.11Å; V21-F82 HydrophobicContact CG1-CD1 4.31Å; V23-F82 HydrophobicContact CG1-CE1 4.43Å; V23-F82 HydrophobicContact CG2-CD1 3.75Å; V23-F82 HydrophobicContact CG2-CE1 3.98Å; W40-F82 AromaticContact CH2-CE1 3.94Å; W40-F82 HydrophobicContact CH2-CE1 3.94Å; W40-F82 AromaticContact CH2-CZ 3.62Å; W40-F82 HydrophobicContact CH2-CZ 3.62Å; W40-F82 HydrophobicContact CZ2-CZ 4.04Å; F53-F82 HydrophobicContact CD1-CD1 4.26Å; F53-F82 HydrophobicContact CD1-CE1 4.42Å; F53-F82 AromaticContact CE1-CD1 3.93Å; F53-F82 HydrophobicContact CE1-CD1 3.93Å; F53-F82 HydrophobicContact CE1-CE1 4.13Å; F82-P89 CarbonylContact O-C 3.59Å; F82-P89 VanDerWaalsContact O-CA 3.31Å; F82-P89 WeakPolarHBondContact O-CA 3.33Å; F82-L90 PolarHBondContact O-N 3.22Å; F82-E91 HydrophobicContact CB-CB 4.39Å; F82-E91 HydrophobicContact CD2-CB 4.18Å; F82-E91 PolarHBondContact N-O 3.48Å; F82-I93 HydrophobicContact CE2-CD1 3.71Å; F82-I93 HydrophobicContact CE2-CG1 4.1Å; F82-I93 HydrophobicContact CZ-CD1 4.3Å; F82-L102 HydrophobicContact CZ-CD1 4.28Å; F82-I106 HydrophobicContact CE1-CG1 3.99Å; F82-I106 HydrophobicContact CZ-CG1 4.16Å; F82-V109 HydrophobicContact CB-CG1 3.98Å; F82-V109 HydrophobicContact CB-CG2 4.1Å; F82-V109 HydrophobicContact CD1-CB 4.4Å; F82-V109 HydrophobicContact CD1-CG1 3.98Å; F82-V109 HydrophobicContact CD1-CG2 4.18Å; F82-V109 HydrophobicContact CD2-CG2 4.41Å; F82-V109 HydrophobicContact CG-CG1 4.24Å; F82-V109 HydrophobicContact CG-CG2 3.99Å
83	I	90.6	Very high	86.2	Confident	9 Å²	9	39.7 Å²	39.7	5%	0.046	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.5	-171.5	-57.8	172.3	0	0	0	109.3	F22 V24 F68 Y72 F81 P89	F22-I83 HydrophobicContact CB-CB 4.44Å; F22-I83 HydrophobicContact CD1-CD1 4.38Å; F22-I83 PolarHBondContact N-O 2.94Å; F22-I83 PolarHBondContact O-N 3.43Å; V24-I83 HydrophobicContact CG2-CD1 4.28Å; F68-I83 HydrophobicContact CE2-CD1 4.1Å; F68-I83 HydrophobicContact CZ-CD1 4.3Å; Y72-I83 HydrophobicContact CD2-CD1 4.29Å; Y72-I83 HydrophobicContact CE1-CD1 4.45Å; Y72-I83 HydrophobicContact CE2-CD1 3.85Å; F81-I83 HydrophobicContact CB-CD1 4.39Å; F81-I83 HydrophobicContact CB-CG1 4.31Å; I83-P89 HydrophobicContact CG1-CB 4.5Å
84	G	86.3	Confident	86.3	Confident	8 Å²	8	38.1 Å²	38.1	8%	0.082	24%	0.241	C	C	.	.			trans	-79.2	171.1	177.1	0	0	0	0	0	113.6	S86 G87 I88	G84-S86 PolarHBondContact O-N 2.93Å; G84-G87 PolarHBondContact O-N 3.16Å; G84-I88 PolarHBondContact N-O 3.36Å
85	D	82.7	Confident	86.4	Confident	67 Å²	67	37 Å²	37	36%	0.358	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-28.4	-44.9	166.7	68.8	-34.3	0	0	0	115.7	K16 G87	K16-D85 WeakPolarHBondContact CE-O 3.48Å; D85-G87 PolarHBondContact O-N 2.84Å
86	S	79.1	Confident	86.7	Confident	56 Å²	56	33.1 Å²	33.1	39%	0.392	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	3.1	-168.4	35.4	0	0	0	0	113.8	G84 I88 K116	G84-S86 PolarHBondContact O-N 2.93Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact O-N 3.37Å; S86-K116 PolarHBondContact OG-NZ 2.79Å
87	G	78.1	Confident	87.2	Confident	33 Å²	33	31.3 Å²	31.3	34%	0.34	20%	0.202	S	C	.	.	S	Bend	trans	70.3	26.2	176.6	0	0	0	0	0	114	Y72 G84 D85	Y72-G87 PolarHBondContact OH-O 2.96Å; Y72-G87 VanDerWaalsContact OH-O 3.1Å; G84-G87 PolarHBondContact O-N 3.16Å; D85-G87 PolarHBondContact O-N 2.84Å
88	I	80.9	Confident	87.4	Confident	99 Å²	99	31.9 Å²	31.9	51%	0.508	21%	0.209	S	C	.	.	S	Bend	trans	-119.1	133.7	175.4	-60.3	174.9	0	0	0	107.5	G84 S86 L90	G84-I88 PolarHBondContact N-O 3.36Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact O-N 3.37Å; I88-L90 PolarHBondContact O-N 3.1Å
89	P	85	Confident	87.3	Confident	49 Å²	49	32.4 Å²	32.4	32%	0.318	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	124.5	174.3	27.2	-33.6	0	0	0	110.3	Y72 F82 I83 V92	Y72-P89 HydrophobicContact CD1-CG 4.42Å; F82-P89 CarbonylContact O-C 3.59Å; F82-P89 VanDerWaalsContact O-CA 3.31Å; F82-P89 WeakPolarHBondContact O-CA 3.33Å; I83-P89 HydrophobicContact CG1-CB 4.5Å; P89-V92 HydrophobicContact CB-CG2 3.91Å
90	L	83.9	Confident	87.3	Confident	38 Å²	38	36.7 Å²	36.7	20%	0.199	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-37.8	173.7	-60.9	173.9	0	0	0	110.9	V21 F82 I88 V109 H113 K116	V21-L90 HydrophobicContact CG2-CD1 4.43Å; F82-L90 PolarHBondContact O-N 3.22Å; I88-L90 PolarHBondContact O-N 3.1Å; L90-V109 HydrophobicContact CD1-CG1 4.24Å; L90-H113 HydrophobicContact CD1-CB 4.37Å; L90-K116 HydrophobicContact CD2-CD 4.45Å
91	E	86.8	Confident	87.2	Confident	16 Å²	16	40.5 Å²	40.5	8%	0.075	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	146.1	177.3	-173.8	131.3	-149.4	0	0	109.9	F82 R105 K108 V109	F82-E91 HydrophobicContact CB-CB 4.39Å; F82-E91 HydrophobicContact CD2-CB 4.18Å; F82-E91 PolarHBondContact N-O 3.48Å; E91-R105 IonicContact OE1-CZ 3.25Å; E91-R105 IonicContact OE1-NH1 2.77Å; E91-R105 PolarHBondContact OE1-NH1 2.82Å; E91-K108 IonicContact OE1-NZ 2.78Å; E91-K108 PolarHBondContact OE1-NZ 3.23Å; E91-K108 VanDerWaalsContact OE2-CD 3.31Å; E91-K108 WeakPolarHBondContact OE2-CD 3.13Å; E91-K108 WeakPolarHBondContact OE2-CE 3.35Å; E91-K108 IonicContact OE2-NZ 2.79Å; E91-K108 PolarHBondContact OE2-NZ 3.37Å; E91-V109 HydrophobicContact CB-CG2 3.57Å; E91-V109 HydrophobicContact CG-CG2 4.34Å
92	V	88.9	Confident	87	Confident	68 Å²	68	40 Å²	40	41%	0.412	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.6	173.2	-174.9	0	0	0	0	108.1	S80 F81 P89	S80-V92 WeakPolarHBondContact O-CA 3.38Å; F81-V92 HydrophobicContact CD1-CB 4.33Å; F81-V92 HydrophobicContact CD1-CG1 3.77Å; F81-V92 HydrophobicContact CD1-CG2 3.6Å; F81-V92 HydrophobicContact CE1-CG1 3.67Å; F81-V92 HydrophobicContact CE1-CG2 4Å; F81-V92 HydrophobicContact CE2-CG1 4.48Å; F81-V92 HydrophobicContact CG-CG1 4.23Å; F81-V92 HydrophobicContact CG-CG2 4.41Å; F81-V92 HydrophobicContact CZ-CG1 4.05Å; P89-V92 HydrophobicContact CB-CG2 3.91Å
93	I	89.8	Confident	86.9	Confident	5 Å²	5	41 Å²	41	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.2	172.9	-56.8	177.9	0	0	0	107.9	M36 S79 S80 F82 V97 L102 R105	M36-I93 HydrophobicContact CE-CG2 3.78Å; S79-I93 CarbonylContact C-O 3.57Å; S79-I93 WeakPolarHBondContact CA-O 3.18Å; S79-I93 VanDerWaalsContact CB-O 3.3Å; S79-I93 WeakPolarHBondContact CB-O 3.36Å; S80-I93 PolarHBondContact N-O 3.44Å; S80-I93 PolarHBondContact O-N 3.29Å; F82-I93 HydrophobicContact CE2-CD1 3.71Å; F82-I93 HydrophobicContact CE2-CG1 4.1Å; F82-I93 HydrophobicContact CZ-CD1 4.3Å; I93-V97 HydrophobicContact CG2-CB 4.23Å; I93-V97 HydrophobicContact CG2-CG2 3.46Å; I93-V97 VanDerWaalsContact CG2-CG2 3.46Å; I93-L102 HydrophobicContact CD1-CD1 3.62Å; I93-R105 HydrophobicContact CD1-CB 4.04Å; I93-R105 HydrophobicContact CD1-CG 3.81Å; I93-R105 HydrophobicContact CG1-CG 4.39Å
94	A	87.8	Confident	87	Confident	61 Å²	61	45 Å²	45	50%	0.504	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.4	178.6	0	0	0	0	0	109.9	C76	C76-A94 HydrophobicContact CB-CB 3.89Å
95	G	87	Confident	87.1	Confident	13 Å²	13	47.8 Å²	47.8	13%	0.134	29%	0.29	C	S	.	.	S	Bend	trans	75	179.8	-171.9	0	0	0	0	0	113.1	M36 P78	M36-G95 WeakPolarHBondContact CE-O 3.43Å; P78-G95 PolarHBondContact O-N 2.76Å
96	S	86.7	Confident	87.5	Confident	46 Å²	46	44.6 Å²	44.6	32%	0.322	27%	0.273	S	S	.	.			trans	-76.1	136.3	176.1	56.5	0	0	0	0	112.4	Q32	Q32-S96 WeakPolarHBondContact O-CB 3.47Å
97	V	91.1	Very high	88	Confident	20 Å²	20	45.5 Å²	45.5	12%	0.121	27%	0.271	C	S	.	.			trans	-131	148.8	178.5	174	0	0	0	0	109	M36 S39 I93 E101	M36-V97 HydrophobicContact CE-CB 3.95Å; M36-V97 HydrophobicContact CE-CG2 4.23Å; S39-V97 WeakPolarHBondContact CB-O 3.35Å; S39-V97 PolarHBondContact OG-O 3.43Å; I93-V97 HydrophobicContact CG2-CB 4.23Å; I93-V97 HydrophobicContact CG2-CG2 3.46Å; I93-V97 VanDerWaalsContact CG2-CG2 3.46Å; V97-E101 HydrophobicContact CG1-CB 3.58Å; V97-E101 HydrophobicContact CG1-CG 3.61Å
98	S	91.1	Very high	88.5	Confident	68 Å²	68	47.8 Å²	47.8	48%	0.476	27%	0.271	S	S	.	.			trans	-75.4	157.5	-179.9	62.5	0	0	0	0	112.8	D100 E101 L102	S98-D100 VanDerWaalsContact C-N 3.33Å; S98-D100 PolarHBondContact O-N 3.46Å; S98-E101 PolarHBondContact O-N 3.32Å; S98-L102 WeakPolarHBondContact O-CB 3.06Å; S98-L102 PolarHBondContact O-N 3.45Å
99	A	90.2	Very high	88.9	Confident	10 Å²	10	43 Å²	43	8%	0.083	25%	0.247	C	C	.	.	H	α-helix	trans	-53.3	-43.6	179.2	0	0	0	0	0	113.5	D42 V45 L102 V103	D42-A99 HydrophobicContact CB-CB 3.84Å; D42-A99 WeakPolarHBondContact OD2-CB 3.27Å; V45-A99 HydrophobicContact CG2-CB 4.02Å; A99-L102 PolarHBondContact O-N 3.32Å; A99-V103 WeakPolarHBondContact O-CG2 3.4Å; A99-V103 PolarHBondContact O-N 3.49Å
100	D	89.4	Confident	89	Confident	94 Å²	94	45.5 Å²	45.5	50%	0.503	25%	0.25	S	C	.	.	H	α-helix	trans	-68.3	-36.6	-178.2	-64.5	-58.6	0	0	0	113.3	K44 S98 T104	K44-D100 IonicContact NZ-OD1 3.42Å; K44-D100 PolarHBondContact NZ-OD1 3.44Å; K44-D100 IonicContact NZ-OD2 3.17Å; K44-D100 PolarHBondContact NZ-OD2 3.33Å; S98-D100 VanDerWaalsContact C-N 3.33Å; S98-D100 PolarHBondContact O-N 3.46Å; D100-T104 PolarHBondContact O-N 3.26Å; D100-T104 PolarHBondContact O-OG1 2.84Å
101	E	90.4	Very high	89.1	Confident	79 Å²	79	50 Å²	50	37%	0.369	27%	0.27	S	S	.	.	H	α-helix	trans	-70.8	-39	170.7	179.6	176.7	178.4	0	0	110.7	V97 S98 V103 T104 R105	V97-E101 HydrophobicContact CG1-CB 3.58Å; V97-E101 HydrophobicContact CG1-CG 3.61Å; S98-E101 PolarHBondContact O-N 3.32Å; E101-V103 PolarHBondContact O-N 3.11Å; E101-T104 CarbonylContact O-C 3.57Å; E101-T104 WeakPolarHBondContact O-CA 3.49Å; E101-T104 VanDerWaalsContact O-CB 3.26Å; E101-T104 WeakPolarHBondContact O-CB 3.47Å; E101-T104 PolarHBondContact O-N 2.92Å; E101-R105 HydrophobicContact CG-CG 4.43Å; E101-R105 WeakPolarHBondContact O-CG 3.36Å; E101-R105 PolarHBondContact O-N 2.97Å; E101-R105 IonicContact OE1-CZ 2.7Å; E101-R105 VanDerWaalsContact OE1-CZ 3.25Å; E101-R105 IonicContact OE1-NE 2.77Å; E101-R105 PolarHBondContact OE1-NE 2.91Å; E101-R105 IonicContact OE1-NH2 3.64Å; E101-R105 PolarHBondContact OE1-NH2 3.28Å
102	L	89.4	Confident	88.9	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-43	178.6	-176	55	0	0	0	112	M36 W40 V45 F82 I93 S98 A99 T104 R105 I106	M36-L102 HydrophobicContact SD-CD2 4.44Å; W40-L102 HydrophobicContact CD2-CD2 3.74Å; W40-L102 HydrophobicContact CE3-CD2 3.94Å; W40-L102 HydrophobicContact CG-CD2 4.14Å; W40-L102 HydrophobicContact CH2-CD1 3.93Å; W40-L102 HydrophobicContact CH2-CD2 4.49Å; W40-L102 HydrophobicContact CZ2-CD1 3.84Å; W40-L102 HydrophobicContact CZ2-CD2 4.29Å; W40-L102 HydrophobicContact CZ3-CD1 4.4Å; W40-L102 HydrophobicContact CZ3-CD2 4.31Å; V45-L102 HydrophobicContact CG1-CD2 3.9Å; V45-L102 HydrophobicContact CG1-CG 4.22Å; V45-L102 HydrophobicContact CG2-CB 4.21Å; V45-L102 HydrophobicContact CG2-CD2 4.08Å; V45-L102 HydrophobicContact CG2-CG 4.14Å; F82-L102 HydrophobicContact CZ-CD1 4.28Å; I93-L102 HydrophobicContact CD1-CD1 3.62Å; S98-L102 WeakPolarHBondContact O-CB 3.06Å; S98-L102 PolarHBondContact O-N 3.45Å; A99-L102 PolarHBondContact O-N 3.32Å; L102-T104 VanDerWaalsContact C-N 3.29Å; L102-T104 PolarHBondContact O-N 3.48Å; L102-R105 PolarHBondContact O-N 2.95Å; L102-I106 HydrophobicContact CD1-CD1 4.4Å; L102-I106 HydrophobicContact CG-CD1 4.11Å; L102-I106 WeakPolarHBondContact O-CB 3.28Å; L102-I106 VanDerWaalsContact O-CG1 3.26Å; L102-I106 WeakPolarHBondContact O-CG1 3.34Å; L102-I106 PolarHBondContact O-N 3.19Å
103	V	90.7	Very high	88.6	Confident	23 Å²	23	51 Å²	51	14%	0.139	27%	0.271	C	S	.	.	H	α-helix	trans	-57.1	-42.3	168.9	171.1	0	0	0	0	111.1	K44 V45 A48 A99 E101 R105 I106 H107	K44-V103 HydrophobicContact CB-CG2 3.98Å; V45-V103 HydrophobicContact CG2-CG2 3.7Å; A48-V103 HydrophobicContact CB-CG1 4.12Å; A48-V103 HydrophobicContact CB-CG2 4.21Å; A99-V103 WeakPolarHBondContact O-CG2 3.4Å; A99-V103 PolarHBondContact O-N 3.49Å; E101-V103 PolarHBondContact O-N 3.11Å; V103-R105 PolarHBondContact O-N 2.88Å; V103-I106 PolarHBondContact O-N 3.12Å; V103-H107 PolarHBondContact O-N 3.4Å
104	T	90.9	Very high	88.2	Confident	91 Å²	91	53.9 Å²	53.9	56%	0.558	29%	0.292	S	S	*	.	H	α-helix	trans	-62.7	-41.3	177.8	-57.2	0	0	0	0	111.9	D100 E101 L102 K108	D100-T104 PolarHBondContact O-N 3.26Å; D100-T104 PolarHBondContact O-OG1 2.84Å; E101-T104 CarbonylContact O-C 3.57Å; E101-T104 WeakPolarHBondContact O-CA 3.49Å; E101-T104 VanDerWaalsContact O-CB 3.26Å; E101-T104 WeakPolarHBondContact O-CB 3.47Å; E101-T104 PolarHBondContact O-N 2.92Å; L102-T104 VanDerWaalsContact C-N 3.29Å; L102-T104 PolarHBondContact O-N 3.48Å; T104-K108 PolarHBondContact O-N 3.36Å; T104-K108 VanDerWaalsContact O-N 3.16Å
105	R	89.1	Confident	87.5	Confident	67 Å²	67	56.8 Å²	56.8	25%	0.253	30%	0.298	S	S	.	.	H	α-helix	trans	-65.6	-44.5	172.9	-56.1	-50.6	-171.7	102.1	9.1	111.5	E91 I93 E101 L102 V103 H107 K108 V109	E91-R105 IonicContact OE1-CZ 3.25Å; E91-R105 IonicContact OE1-NH1 2.77Å; E91-R105 PolarHBondContact OE1-NH1 2.82Å; I93-R105 HydrophobicContact CD1-CB 4.04Å; I93-R105 HydrophobicContact CD1-CG 3.81Å; I93-R105 HydrophobicContact CG1-CG 4.39Å; E101-R105 HydrophobicContact CG-CG 4.43Å; E101-R105 WeakPolarHBondContact O-CG 3.36Å; E101-R105 PolarHBondContact O-N 2.97Å; E101-R105 IonicContact OE1-CZ 2.7Å; E101-R105 VanDerWaalsContact OE1-CZ 3.25Å; E101-R105 IonicContact OE1-NE 2.77Å; E101-R105 PolarHBondContact OE1-NE 2.91Å; E101-R105 IonicContact OE1-NH2 3.64Å; E101-R105 PolarHBondContact OE1-NH2 3.28Å; L102-R105 PolarHBondContact O-N 2.95Å; V103-R105 PolarHBondContact O-N 2.88Å; R105-H107 PolarHBondContact O-N 3.48Å; R105-K108 PolarHBondContact O-N 3.27Å; R105-V109 WeakPolarHBondContact O-CB 3.47Å; R105-V109 WeakPolarHBondContact O-CG2 3.42Å; R105-V109 PolarHBondContact O-N 3.23Å
106	I	90.4	Very high	86.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-57.1	-45.7	177.4	-74	165	0	0	0	111.3	W40 V45 A48 F53 F82 L102 V103 V109 R110	W40-I106 HydrophobicContact CH2-CD1 4.42Å; W40-I106 HydrophobicContact CZ3-CD1 3.97Å; V45-I106 HydrophobicContact CG1-CD1 3.88Å; A48-I106 HydrophobicContact CB-CG2 4.11Å; A48-I106 WeakPolarHBondContact O-CG2 3.46Å; F53-I106 HydrophobicContact CE2-CG2 3.67Å; F53-I106 HydrophobicContact CZ-CG2 3.76Å; F82-I106 HydrophobicContact CE1-CG1 3.99Å; F82-I106 HydrophobicContact CZ-CG1 4.16Å; L102-I106 HydrophobicContact CD1-CD1 4.4Å; L102-I106 HydrophobicContact CG-CD1 4.11Å; L102-I106 WeakPolarHBondContact O-CB 3.28Å; L102-I106 VanDerWaalsContact O-CG1 3.26Å; L102-I106 WeakPolarHBondContact O-CG1 3.34Å; L102-I106 PolarHBondContact O-N 3.19Å; V103-I106 PolarHBondContact O-N 3.12Å; I106-V109 PolarHBondContact O-N 3.17Å; I106-R110 WeakPolarHBondContact O-CB 3.43Å; I106-R110 PolarHBondContact O-N 3.46Å
107	H	89.4	Confident	85.3	Confident	75 Å²	75	60.1 Å²	60.1	35%	0.347	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-42.3	176.6	-75.7	176.2	0	0	0	113.1	V103 R105 R110 Q111	V103-H107 PolarHBondContact O-N 3.4Å; R105-H107 PolarHBondContact O-N 3.48Å; H107-R110 PolarHBondContact CD2-NH2 3.31Å; H107-R110 PolarHBondContact O-N 2.97Å; H107-Q111 WeakPolarHBondContact O-CG 3.47Å; H107-Q111 PolarHBondContact O-N 3.43Å; H107-Q111 VanDerWaalsContact O-N 3.09Å
108	K	89.1	Confident	83.5	Confident	81 Å²	81	66 Å²	66	35%	0.352	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-45.6	175	174.1	-173	161.1	-150.7	0	111.9	E91 T104 R105 R110 Q111 M112	E91-K108 IonicContact OE1-NZ 2.78Å; E91-K108 PolarHBondContact OE1-NZ 3.23Å; E91-K108 VanDerWaalsContact OE2-CD 3.31Å; E91-K108 WeakPolarHBondContact OE2-CD 3.13Å; E91-K108 WeakPolarHBondContact OE2-CE 3.35Å; E91-K108 IonicContact OE2-NZ 2.79Å; E91-K108 PolarHBondContact OE2-NZ 3.37Å; T104-K108 PolarHBondContact O-N 3.36Å; T104-K108 VanDerWaalsContact O-N 3.16Å; R105-K108 PolarHBondContact O-N 3.27Å; K108-R110 VanDerWaalsContact C-N 3.34Å; K108-R110 PolarHBondContact O-N 3.27Å; K108-Q111 PolarHBondContact O-N 3Å; K108-M112 HydrophobicContact CG-CE 4.18Å; K108-M112 HydrophobicContact CG-SD 4.43Å; K108-M112 WeakPolarHBondContact O-CG 3.49Å; K108-M112 PolarHBondContact O-N 3.05Å
109	V	89.6	Confident	81.3	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62.4	-40.7	176.6	169.9	0	0	0	0	111.1	V21 F53 F82 L90 E91 R105 I106 Q111 M112 H113	V21-V109 HydrophobicContact CG1-CG1 3.91Å; V21-V109 HydrophobicContact CG2-CG1 4.11Å; F53-V109 HydrophobicContact CE1-CG1 3.91Å; F53-V109 HydrophobicContact CZ-CG1 4.39Å; F82-V109 HydrophobicContact CB-CG1 3.98Å; F82-V109 HydrophobicContact CB-CG2 4.1Å; F82-V109 HydrophobicContact CD1-CB 4.4Å; F82-V109 HydrophobicContact CD1-CG1 3.98Å; F82-V109 HydrophobicContact CD1-CG2 4.18Å; F82-V109 HydrophobicContact CD2-CG2 4.41Å; F82-V109 HydrophobicContact CG-CG1 4.24Å; F82-V109 HydrophobicContact CG-CG2 3.99Å; L90-V109 HydrophobicContact CD1-CG1 4.24Å; E91-V109 HydrophobicContact CB-CG2 3.57Å; E91-V109 HydrophobicContact CG-CG2 4.34Å; R105-V109 WeakPolarHBondContact O-CB 3.47Å; R105-V109 WeakPolarHBondContact O-CG2 3.42Å; R105-V109 PolarHBondContact O-N 3.23Å; I106-V109 PolarHBondContact O-N 3.17Å; V109-Q111 PolarHBondContact O-N 3.41Å; V109-M112 PolarHBondContact O-N 3.49Å; V109-H113 WeakPolarHBondContact O-CB 3.35Å; V109-H113 PolarHBondContact O-N 2.98Å
110	R	86.8	Confident	79.2	Confident	100 Å²	100	69.8 Å²	69.8	38%	0.377	37%	0.367	S	S	.	.	H	α-helix	trans	-59.6	-45.4	175.3	-169.5	170.7	69.2	-153.9	-1.2	111.7	F53 I106 H107 K108 H113 S114	F53-R110 HydrophobicContact CZ-CB 4.41Å; I106-R110 WeakPolarHBondContact O-CB 3.43Å; I106-R110 PolarHBondContact O-N 3.46Å; H107-R110 PolarHBondContact CD2-NH2 3.31Å; H107-R110 PolarHBondContact O-N 2.97Å; K108-R110 VanDerWaalsContact C-N 3.34Å; K108-R110 PolarHBondContact O-N 3.27Å; R110-H113 PolarHBondContact O-N 3.06Å; R110-S114 PolarHBondContact O-N 3.38Å; R110-S114 PolarHBondContact O-OG 3.15Å
111	Q	85.8	Confident	76.9	Confident	132 Å²	132	70.2 Å²	70.2	62%	0.617	37%	0.373	S	S	*	.	H	α-helix	trans	-60.6	-45.6	174.5	-70.7	176.4	-3.8	0	0	112.4	H107 K108 V109 H113 S114 L115	H107-Q111 WeakPolarHBondContact O-CG 3.47Å; H107-Q111 PolarHBondContact O-N 3.43Å; H107-Q111 VanDerWaalsContact O-N 3.09Å; K108-Q111 PolarHBondContact O-N 3Å; V109-Q111 PolarHBondContact O-N 3.41Å; Q111-H113 VanDerWaalsContact C-N 3.31Å; Q111-H113 PolarHBondContact O-N 3.35Å; Q111-S114 PolarHBondContact O-N 3.48Å; Q111-L115 WeakPolarHBondContact O-CG 3.45Å; Q111-L115 PolarHBondContact O-N 3.37Å; Q111-L115 VanDerWaalsContact O-N 3.1Å
112	M	83.9	Confident	74.2	Confident	84 Å²	84	70.9 Å²	70.9	41%	0.414	39%	0.392	S	S	.	.	H	α-helix	trans	-63.7	-35.3	177.8	-71.6	-177.8	171.7	0	0	112.6	K108 V109 K116	K108-M112 HydrophobicContact CG-CE 4.18Å; K108-M112 HydrophobicContact CG-SD 4.43Å; K108-M112 WeakPolarHBondContact O-CG 3.49Å; K108-M112 PolarHBondContact O-N 3.05Å; V109-M112 PolarHBondContact O-N 3.49Å; M112-K116 WeakPolarHBondContact O-CB 3.42Å; M112-K116 PolarHBondContact O-N 2.9Å
113	H	82.6	Confident	71.7	Confident	22 Å²	22	78.8 Å²	78.8	10%	0.102	43%	0.434	C	S	.	.	H	α-helix	trans	-69.5	-45.1	176.5	-163.3	-100.5	0	0	0	112	G19 V21 L90 V109 R110 Q111 K116 S117	G19-H113 PolarHBondContact O-CE1 3.43Å; V21-H113 HydrophobicContact CG2-CB 3.77Å; V21-H113 VanDerWaalsContact CG2-CD2 3.49Å; V21-H113 WeakPolarHBondContact CG2-CD2 3.33Å; L90-H113 HydrophobicContact CD1-CB 4.37Å; V109-H113 WeakPolarHBondContact O-CB 3.35Å; V109-H113 PolarHBondContact O-N 2.98Å; R110-H113 PolarHBondContact O-N 3.06Å; Q111-H113 VanDerWaalsContact C-N 3.31Å; Q111-H113 PolarHBondContact O-N 3.35Å; H113-K116 PolarHBondContact O-N 3.46Å; H113-S117 WeakPolarHBondContact O-CB 3.47Å; H113-S117 PolarHBondContact O-N 3.45Å
114	S	80.9	Confident	68.7	Low	65 Å²	65	80.8 Å²	80.8	46%	0.455	46%	0.459	S	S	.	.	H	α-helix	trans	-56.9	-53.6	175.7	-62.5	0	0	0	0	112	R110 Q111 K116 S117 E118	R110-S114 PolarHBondContact O-N 3.38Å; R110-S114 PolarHBondContact O-OG 3.15Å; Q111-S114 PolarHBondContact O-N 3.48Å; S114-K116 PolarHBondContact O-N 3.44Å; S114-S117 PolarHBondContact O-N 3.1Å; S114-E118 PolarHBondContact O-N 2.99Å; S114-E118 VanDerWaalsContact O-N 3.15Å
115	L	73.4	Confident	66	Low	123 Å²	123	82 Å²	82	64%	0.644	47%	0.472	S	S	*	.	H	α-helix	trans	-62.1	-28.5	-178.7	-68.9	169.6	0	0	0	113.4	Q111	Q111-L115 WeakPolarHBondContact O-CG 3.45Å; Q111-L115 PolarHBondContact O-N 3.37Å; Q111-L115 VanDerWaalsContact O-N 3.1Å
116	K	66.1	Low	63.3	Low	75 Å²	75	87.2 Å²	87.2	33%	0.326	50%	0.499	S	S	.	.	H	α-helix	trans	-82.9	-33.3	177.8	-162	-177.7	-174.4	-171.6	0	112.5	S86 L90 M112 H113 S114 A119	S86-K116 PolarHBondContact OG-NZ 2.79Å; L90-K116 HydrophobicContact CD2-CD 4.45Å; M112-K116 WeakPolarHBondContact O-CB 3.42Å; M112-K116 PolarHBondContact O-N 2.9Å; H113-K116 PolarHBondContact O-N 3.46Å; S114-K116 PolarHBondContact O-N 3.44Å; K116-A119 PolarHBondContact O-N 3.48Å
117	S	60.8	Low	60.4	Low	53 Å²	53	92.5 Å²	92.5	37%	0.371	54%	0.536	S	S	.	.	H	α-helix	trans	-66.3	-41.3	176.2	-167.3	0	0	0	0	111.9	H113 S114 A119 S120 V121	H113-S117 WeakPolarHBondContact O-CB 3.47Å; H113-S117 PolarHBondContact O-N 3.45Å; S114-S117 PolarHBondContact O-N 3.1Å; S117-A119 PolarHBondContact O-N 2.93Å; S117-S120 PolarHBondContact O-N 3.27Å; S117-S120 VanDerWaalsContact O-N 3.11Å; S117-S120 PolarHBondContact O-OG 3.37Å; S117-V121 WeakPolarHBondContact O-CG2 3.37Å; S117-V121 PolarHBondContact O-N 3.15Å
118	E	52.4	Low	57.6	Low	143 Å²	143	98.2 Å²	98.2	67%	0.668	56%	0.563	S	S	*	*	H	α-helix	trans	-61	-31.9	176.1	-69.6	177.8	163.1	0	0	112.6	S114 S120	S114-E118 PolarHBondContact O-N 2.99Å; S114-E118 VanDerWaalsContact O-N 3.15Å; E118-S120 VanDerWaalsContact C-N 3.33Å; E118-S120 PolarHBondContact O-N 3.24Å
119	A	46.8	Very low	54.6	Low	82 Å²	82	99.6 Å²	99.6	68%	0.678	58%	0.583	S	S	*	*	H	α-helix	trans	-73.3	-18.2	177.9	0	0	0	0	0	114.4	K116 S117	K116-A119 PolarHBondContact O-N 3.48Å; S117-A119 PolarHBondContact O-N 2.93Å
120	S	44.4	Very low	51.7	Low	76 Å²	76	105 Å²	105	53%	0.531	62%	0.62	S	S	.	*	H	α-helix	trans	-100.8	-15	179.8	53.7	0	0	0	0	114.2	S117 E118	S117-S120 PolarHBondContact O-N 3.27Å; S117-S120 VanDerWaalsContact O-N 3.11Å; S117-S120 PolarHBondContact O-OG 3.37Å; E118-S120 VanDerWaalsContact C-N 3.33Å; E118-S120 PolarHBondContact O-N 3.24Å
121	V	41	Very low	48.9	Very low	103 Å²	103	106.7 Å²	106.7	62%	0.624	64%	0.641	S	S	*	*	H	α-helix	trans	-88	-11.8	-177.7	174.4	0	0	0	0	113.6	S117 N123	S117-V121 WeakPolarHBondContact O-CG2 3.37Å; S117-V121 PolarHBondContact O-N 3.15Å; V121-N123 PolarHBondContact O-N 3Å
122	A	35.3	Very low	46	Very low	94 Å²	94	105.8 Å²	105.8	78%	0.777	65%	0.65	S	S	*	*	S	Bend	trans	-67.2	16	-176.7	0	0	0	0	0	116.5
123	N	35.5	Very low	43.1	Very low	165 Å²	165	108.2 Å²	108.2	88%	0.882	67%	0.669	S	S	*	*	S	Bend	trans	-141.6	49.8	-177.6	-154	35.1	0	0	0	112.6	V121	V121-N123 PolarHBondContact O-N 3Å
124	G	29	Very low	40.9	Very low	65 Å²	65	113 Å²	113	67%	0.67	70%	0.703	S	S	*	*	S	Bend	trans	-159.9	127	174.1	0	0	0	0	0	113.3
125	S	32.7	Very low	38.2	Very low	117 Å²	117	114.7 Å²	114.7	82%	0.818	71%	0.714	S	S	*	*			trans	-55.6	125	179.7	-59.3	0	0	0	0	113.1
126	Q	33.2	Very low	35.9	Very low	176 Å²	176	112.6 Å²	112.6	82%	0.822	72%	0.715	S	S	*	*				71.2	135.1	89.2	-87.2	-170.4	-14.7	0	0	116.9
127	S	30.2	Very low	34	Very low	112 Å²	112	113.2 Å²	113.2	78%	0.783	73%	0.729	S	S	*	*			trans	72.4	147.8	172.5	-52.1	0	0	0	0	115.2
128	E	29.6	Very low	32.4	Very low	195 Å²	195	120.1 Å²	120.1	91%	0.911	75%	0.752	S	S	*	*			cis	-128.3	-168.5	12.4	-69.5	-178.4	159.4	0	0	113.4
129	S	27.4	Very low	31.4	Very low	110 Å²	110	121.9 Å²	121.9	77%	0.769	76%	0.761	S	S	*	*			trans	-136.3	142.2	-161.5	60.8	0	0	0	0	117
130	S	28.3	Very low	30.9	Very low	112 Å²	112	123.6 Å²	123.6	78%	0.783	77%	0.765	S	S	*	*			trans	-160.3	119	152.8	-35.7	0	0	0	0	108.9
131	V	26.9	Very low	30	Very low	136 Å²	136	126.5 Å²	126.5	82%	0.824	78%	0.775	S	S	*	*				63.8	113.2	82	174.9	0	0	0	0	111.4
132	S	25.4	Very low	29.3	Very low	114 Å²	114	127.2 Å²	127.2	80%	0.797	78%	0.775	S	S	*	*				-148.7	167.3	50.7	-56.4	0	0	0	0	116.8
133	T	22.7	Very low	28.7	Very low	134 Å²	134	127.9 Å²	127.9	82%	0.822	77%	0.769	S	S	*	*			trans	-117.5	-178.8	170.3	48.8	0	0	0	0	110.5
134	P	36.9	Very low	28.2	Very low	123 Å²	123	125.7 Å²	125.7	80%	0.799	77%	0.765	S	S	*	*			cis	-105.6	-146.7	-5.8	37.2	-19.9	0	0	0	111
135	S	23.4	Very low	28	Very low	100 Å²	100	132.2 Å²	132.2	70%	0.699	78%	0.778	S	S	*	*			cis	-160.1	162.6	5.4	-137.8	0	0	0	0	108.2
136	A	25.6	Very low	27.7	Very low	80 Å²	80	133.6 Å²	133.6	66%	0.661	78%	0.777	S	S	*	*			cis	77.8	128.2	13.9	0	0	0	0	0	117.5
137	S	26.8	Very low	27.5	Very low	87 Å²	87	130.4 Å²	130.4	61%	0.608	77%	0.774	S	S	*	*			cis	-173.5	168.9	-13.6	38.6	0	0	0	0	112
138	F	28	Very low	27.3	Very low	198 Å²	198	133.5 Å²	133.5	87%	0.868	78%	0.776	S	S	*	*			trans	87.2	143.9	164.8	-52.4	-69.1	0	0	0	120.6
139	E	29.9	Very low	27.2	Very low	180 Å²	180	128.4 Å²	128.4	84%	0.841	76%	0.762	S	S	*	*			trans	-88.9	174.1	160.8	-52.3	-175.7	142	0	0	110.2
140	P	37	Very low	27.2	Very low	118 Å²	118	131.9 Å²	131.9	77%	0.766	76%	0.763	S	S	*	*				-152.1	144.4	87	38.1	-19.4	0	0	0	118
141	D	24.5	Very low	27.2	Very low	138 Å²	138	133.7 Å²	133.7	74%	0.738	76%	0.764	S	S	*	*				52.5	156.1	126.5	-151.1	15.9	0	0	0	124.4
142	N	26.5	Very low	27.2	Very low	117 Å²	117	131.1 Å²	131.1	63%	0.626	76%	0.757	S	S	*	*			trans	83	102.7	163.9	-78.3	-75.5	0	0	0	123.4
143	T	23.1	Very low	27.3	Very low	109 Å²	109	134 Å²	134	67%	0.669	76%	0.758	S	S	*	*				70.9	108.8	111.1	-53.3	0	0	0	0	122.1
144	C	26	Very low	27.5	Very low	118 Å²	118	133.7 Å²	133.7	80%	0.797	75%	0.751	S	S	*	*			trans	37.6	129.6	141.2	-58.7	0	0	0	0	122.9
145	E	25.1	Very low	27	Very low	202 Å²	202	134 Å²	134	94%	0.944	75%	0.754	S	S	*	*				-158.8	-175.6	103.3	-119.6	-173.7	166.2	0	0	114.1
146	N	26.1	Very low	27.1	Very low	147 Å²	147	136.2 Å²	136.2	79%	0.786	75%	0.754	S	S	*	*			trans	-109.9	161.1	-162.3	-179	31.8	0	0	0	113.7
147	S	27.9	Very low	27.3	Very low	109 Å²	109	139 Å²	139	76%	0.762	76%	0.756	S	S	*	*			trans	-156.3	100.7	169	-70.8	0	0	0	0	113.2
148	E	26.2	Very low	27.7	Very low	176 Å²	176	140.5 Å²	140.5	82%	0.822	76%	0.764	S	S	*	*			trans	36.9	143.3	145.1	-62.2	-166.6	87.4	0	0	122.1
149	S	28.3	Very low	28.7	Very low	89 Å²	89	136.5 Å²	136.5	62%	0.622	76%	0.758	S	S	*	*				179.4	152.1	67.1	43.2	0	0	0	0	115.5
150	K	27.7	Very low	28.5	Very low	183 Å²	183	134.1 Å²	134.1	80%	0.796	76%	0.755	S	S	*	*			trans	67.2	145.8	158.1	-64.6	155.7	-178.7	170.2	0	116.7
151	N	27.1	Very low	28.2	Very low	150 Å²	150	132.7 Å²	132.7	80%	0.802	75%	0.748	S	S	*	*			cis	-165.1	169.1	-3.4	-112.7	20.5	0	0	0	108
152	A	27.8	Very low	28.5	Very low	82 Å²	82	132.7 Å²	132.7	68%	0.678	75%	0.748	S	S	*	*			cis	-161.6	170.8	-4	0	0	0	0	0	112.3
153	E	27.8	Very low	28.7	Very low	174 Å²	174	133.2 Å²	133.2	81%	0.813	76%	0.756	S	S	*	*			trans	-43.3	174.2	154.5	-79.3	175.9	84	0	0	117.9
154	L	27	Very low	29.2	Very low	127 Å²	127	135.4 Å²	135.4	67%	0.665	76%	0.756	S	S	*	*			cis	-179.3	162.7	-16.3	174.1	64.6	0	0	0	107.9
155	C	24.8	Very low	29.6	Very low	130 Å²	130	134.4 Å²	134.4	88%	0.878	75%	0.751	S	S	*	*			trans	-166.1	161.9	141.3	-116.8	0	0	0	0	113.1
156	E	25.7	Very low	29.8	Very low	147 Å²	147	129.7 Å²	129.7	69%	0.687	73%	0.732	S	S	*	*			trans	-115.2	159.5	-168.9	-67.4	-175.8	97.1	0	0	114.9
157	I	30.3	Very low	30	Very low	139 Å²	139	129.5 Å²	129.5	71%	0.713	74%	0.736	S	S	*	*			trans	45.7	139.9	132.7	-63	169.9	0	0	0	118.8
158	P	35.5	Very low	30.1	Very low	118 Å²	118	128 Å²	128	77%	0.766	73%	0.73	S	S	*	*			cis	-140.3	-171.8	32.1	22.4	5.8	0	0	0	116.9
159	P	47.5	Very low	30.3	Very low	114 Å²	114	126.4 Å²	126.4	74%	0.74	73%	0.733	S	S	*	*			trans	-110.7	151.6	174.8	39.6	-32	0	0	0	116.5
160	T	26.6	Very low	30.3	Very low	129 Å²	129	125.9 Å²	125.9	79%	0.791	74%	0.741	S	S	*	*			trans	174.5	143.9	150	39.7	0	0	0	0	107.2
161	S	30.6	Very low	30.3	Very low	88 Å²	88	120.6 Å²	120.6	62%	0.615	74%	0.739	S	S	*	*			cis	76.9	140.7	40.6	100	0	0	0	0	112.9
162	D	31	Very low	30.4	Very low	138 Å²	138	123.5 Å²	123.5	74%	0.738	75%	0.748	S	S	*	*			cis	-149.5	-165.1	20	-102.2	-61.2	0	0	0	113.7
163	T	30.1	Very low	30.5	Very low	129 Å²	129	125.3 Å²	125.3	79%	0.791	76%	0.756	S	S	*	*			trans	90	146	173.2	74.6	0	0	0	0	116.1
164	K	33.8	Very low	30.7	Very low	154 Å²	154	121.8 Å²	121.8	67%	0.67	76%	0.756	S	S	*	*			cis	-149.8	-171.1	-1.6	-130.6	174.4	-171.6	-68.1	0	108.6	D166	K164-D166 IonicContact NZ-OD1 2.72Å; K164-D166 PolarHBondContact NZ-OD1 2.96Å; K164-D166 IonicContact NZ-OD2 2.63Å; K164-D166 PolarHBondContact NZ-OD2 3.17Å
165	S	34.3	Very low	30.7	Very low	98 Å²	98	119.1 Å²	119.1	69%	0.685	76%	0.759	S	S	*	*			cis	-173.9	161.8	7.7	32.2	0	0	0	0	108.2
166	D	30.6	Very low	31	Very low	102 Å²	102	122.1 Å²	122.1	55%	0.545	76%	0.76	S	S	.	*			cis	-170.5	120.6	-19.2	-87.7	-31.3	0	0	0	109.1	K164	K164-D166 IonicContact NZ-OD1 2.72Å; K164-D166 PolarHBondContact NZ-OD1 2.96Å; K164-D166 IonicContact NZ-OD2 2.63Å; K164-D166 PolarHBondContact NZ-OD2 3.17Å
167	T	29.5	Very low	31.3	Very low	144 Å²	144	118.9 Å²	118.9	88%	0.883	76%	0.759	S	S	*	*			trans	65.4	162.9	161.9	12.7	0	0	0	0	118.4
168	A	31	Very low	31.2	Very low	76 Å²	76	118.1 Å²	118.1	63%	0.628	76%	0.761	S	S	*	*			cis	-153.6	162.5	-4.2	0	0	0	0	0	113.5
169	T	29.1	Very low	30.9	Very low	144 Å²	144	117.2 Å²	117.2	88%	0.883	76%	0.757	S	S	*	*			trans	56.5	130.7	138.2	-56.8	0	0	0	0	122.4
170	G	27.8	Very low	30.1	Very low	77 Å²	77	116.2 Å²	116.2	79%	0.794	75%	0.753	S	S	*	*			trans	120.2	119	131.8	0	0	0	0	0	116.7
171	G	27.7	Very low	30.2	Very low	73 Å²	73	118 Å²	118	75%	0.753	75%	0.752	S	S	*	*			trans	-142.2	152.9	157.1	0	0	0	0	0	108.8
172	E	29.4	Very low	30.2	Very low	210 Å²	210	121.4 Å²	121.4	98%	0.981	76%	0.758	S	S	*	*			trans	-161.9	-178.2	161.9	-120.8	165.3	-157.9	0	0	111.1
173	S	30.6	Very low	30.7	Very low	121 Å²	121	119.9 Å²	119.9	85%	0.846	76%	0.756	S	S	*	*			trans	-122	-172.2	-157.1	-167.4	0	0	0	0	113.7
174	A	32.6	Very low	30.8	Very low	100 Å²	100	118.5 Å²	118.5	83%	0.826	75%	0.752	S	S	*	*			trans	79.6	146.8	178.2	0	0	0	0	0	117.2
175	G	27.3	Very low	30.6	Very low	71 Å²	71	115 Å²	115	73%	0.732	76%	0.759	S	S	*	*			cis	156.5	-165.5	-11.1	0	0	0	0	0	115.5
176	H	30.8	Very low	30.4	Very low	192 Å²	192	116.3 Å²	116.3	89%	0.889	77%	0.767	S	S	*	*			trans	80.5	156.6	169.8	-150.9	47.4	0	0	0	118.4
177	A	31	Very low	30.6	Very low	80 Å²	80	116.9 Å²	116.9	66%	0.661	78%	0.779	S	S	*	*			trans	-149.4	154.8	-173.1	0	0	0	0	0	110.5
178	T	28.9	Very low	30.9	Very low	123 Å²	123	117.3 Å²	117.3	76%	0.755	78%	0.776	S	S	*	*			trans	-167.6	122.5	169.6	-77.1	0	0	0	0	105.2
179	S	28.7	Very low	31.1	Very low	99 Å²	99	120.5 Å²	120.5	69%	0.692	78%	0.777	S	S	*	*			cis	88.6	134.7	41.6	-168.8	0	0	0	0	113.8
180	S	30.5	Very low	31.7	Very low	93 Å²	93	123.7 Å²	123.7	65%	0.65	77%	0.773	S	S	*	*			trans	69.1	149.4	169.1	-59.6	0	0	0	0	116.9
181	Q	28.6	Very low	32.8	Very low	167 Å²	167	125.1 Å²	125.1	78%	0.78	77%	0.768	S	S	*	*			cis	-158	162.1	-14.1	-119.3	166.8	-69.1	0	0	110.9
182	E	30.5	Very low	33.8	Very low	158 Å²	158	125 Å²	125	74%	0.738	76%	0.76	S	S	*	*			trans	3.9	148.4	130.9	-78.9	-82.9	129.1	0	0	118
183	P	42.3	Very low	35	Very low	107 Å²	107	123.1 Å²	123.1	70%	0.695	75%	0.751	S	S	*	*				-156.9	170.5	58	42.6	-21.9	0	0	0	120.9
184	S	31.4	Very low	36.2	Very low	100 Å²	100	124 Å²	124	70%	0.699	75%	0.747	S	S	*	*			trans	63.7	121.5	140	64.3	0	0	0	0	120.2
185	G	30.1	Very low	37.4	Very low	79 Å²	79	124.6 Å²	124.6	81%	0.814	74%	0.736	S	S	*	*			trans	-91.7	171.3	152.9	0	0	0	0	0	112
186	C	29.3	Very low	39.1	Very low	126 Å²	126	126.9 Å²	126.9	85%	0.851	73%	0.731	S	S	*	*			trans	-143.2	125.9	162.6	-174.3	0	0	0	0	108.6
187	S	34.8	Very low	40.9	Very low	114 Å²	114	122.2 Å²	122.2	80%	0.797	71%	0.712	S	S	*	*			trans	-107.9	119.8	172.6	58.5	0	0	0	0	109
188	D	35.7	Very low	42.3	Very low	154 Å²	154	127.4 Å²	127.4	82%	0.824	71%	0.714	S	S	*	*			trans	-144	158.8	165	-129.3	-34.9	0	0	0	112.5
189	Q	35.8	Very low	44.3	Very low	142 Å²	142	125.2 Å²	125.2	66%	0.664	70%	0.7	S	S	*	*			trans	-111.7	144.9	-151.8	-66	-168.9	36.6	0	0	116.2
190	R	41.9	Very low	46.4	Very low	212 Å²	212	126.5 Å²	126.5	80%	0.8	70%	0.695	S	S	*	*			trans	69.2	165.7	150.3	-72.6	169.9	-159.4	-127	4.5	116.7
191	P	51.4	Low	48.5	Very low	106 Å²	106	130.8 Å²	130.8	69%	0.688	70%	0.697	S	S	*	*			cis	-94.6	140.8	-5.5	-2.5	24.2	0	0	0	114.1
192	A	48.6	Very low	50.5	Low	70 Å²	70	128.1 Å²	128.1	58%	0.579	69%	0.688	S	S	*	*			trans	-66.7	154.6	144.9	0	0	0	0	0	107.6
193	E	54.1	Low	52.5	Low	171 Å²	171	124.1 Å²	124.1	80%	0.799	67%	0.674	S	S	*	*	S	Bend	cis	-133.8	-15.6	43.4	-76.3	142.7	178.1	0	0	116	L195 N196	E193-L195 PolarHBondContact O-N 3.35Å; E193-N196 WeakPolarHBondContact O-CB 3.47Å; E193-N196 PolarHBondContact O-N 3.01Å; E193-N196 VanDerWaalsContact O-N 3.15Å
194	D	56.4	Low	54.4	Low	139 Å²	139	126.4 Å²	126.4	74%	0.743	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-14.1	-177.5	-165.8	38	0	0	0	114.1	N196	D194-N196 PolarHBondContact O-N 2.94Å
195	L	58	Low	56.6	Low	114 Å²	114	128.8 Å²	128.8	60%	0.597	67%	0.671	S	S	*	*	H	α-helix	trans	-58.8	-31.6	168.7	-74.9	171.6	0	0	0	112.2	E193 I197 R198 V199	E193-L195 PolarHBondContact O-N 3.35Å; L195-I197 PolarHBondContact O-N 3.39Å; L195-R198 PolarHBondContact O-N 3.18Å; L195-V199 WeakPolarHBondContact O-CB 3.48Å; L195-V199 VanDerWaalsContact O-CG2 3.29Å; L195-V199 WeakPolarHBondContact O-CG2 3.2Å; L195-V199 PolarHBondContact O-N 3.07Å
196	N	62.3	Low	58.6	Low	119 Å²	119	129.2 Å²	129.2	64%	0.636	65%	0.654	S	S	*	*	H	α-helix	trans	-63.2	-49	-165.2	-159.7	13.8	0	0	0	112.6	E193 D194 R198 V199 E200	E193-N196 WeakPolarHBondContact O-CB 3.47Å; E193-N196 PolarHBondContact O-N 3.01Å; E193-N196 VanDerWaalsContact O-N 3.15Å; D194-N196 PolarHBondContact O-N 2.94Å; N196-R198 VanDerWaalsContact C-N 3.3Å; N196-R198 PolarHBondContact O-N 3.28Å; N196-V199 PolarHBondContact O-N 3.48Å; N196-E200 WeakPolarHBondContact O-CB 3.48Å; N196-E200 PolarHBondContact O-N 2.97Å
197	I	68.1	Low	61.1	Low	94 Å²	94	126.7 Å²	126.7	48%	0.482	63%	0.63	S	S	.	*	H	α-helix	trans	-66.2	-33.6	-179.7	-57.5	173.1	0	0	0	111.3	L195 R201	L195-I197 PolarHBondContact O-N 3.39Å; I197-R201 WeakPolarHBondContact O-CG 3.44Å; I197-R201 PolarHBondContact O-N 3.44Å; I197-R201 VanDerWaalsContact O-N 3.12Å
198	R	61.8	Low	63.4	Low	189 Å²	189	127.2 Å²	127.2	71%	0.713	62%	0.62	S	S	*	*	H	α-helix	trans	-76.6	-37.9	178.8	-163.3	168.8	-173.2	155.2	-0.2	111.7	L195 N196 L202	L195-R198 PolarHBondContact O-N 3.18Å; N196-R198 VanDerWaalsContact C-N 3.3Å; N196-R198 PolarHBondContact O-N 3.28Å; R198-L202 HydrophobicContact CG-CD1 4.28Å; R198-L202 WeakPolarHBondContact O-CB 3.29Å; R198-L202 WeakPolarHBondContact O-CD1 3.22Å; R198-L202 VanDerWaalsContact O-CG 3.23Å; R198-L202 WeakPolarHBondContact O-CG 3.31Å; R198-L202 PolarHBondContact O-N 3.07Å; R198-L202 VanDerWaalsContact O-N 3.1Å
199	V	69.8	Low	65.5	Low	76 Å²	76	128 Å²	128	46%	0.461	61%	0.611	S	S	.	*	H	α-helix	trans	-60.3	-50.5	169	168.3	0	0	0	0	109.6	L195 N196 R201 L202 T203	L195-V199 WeakPolarHBondContact O-CB 3.48Å; L195-V199 VanDerWaalsContact O-CG2 3.29Å; L195-V199 WeakPolarHBondContact O-CG2 3.2Å; L195-V199 PolarHBondContact O-N 3.07Å; N196-V199 PolarHBondContact O-N 3.48Å; V199-R201 PolarHBondContact O-N 3.42Å; V199-L202 CarbonylContact O-C 3.57Å; V199-L202 PolarHBondContact O-N 3.09Å; V199-T203 HydrophobicContact CG1-CG2 3.98Å; V199-T203 WeakPolarHBondContact O-CG2 3.41Å; V199-T203 PolarHBondContact O-N 2.82Å; V199-T203 PolarHBondContact O-OG1 2.92Å; V199-T203 VanDerWaalsContact O-OG1 3.1Å
200	E	72.6	Confident	67.4	Low	126 Å²	126	127.4 Å²	127.4	59%	0.589	60%	0.603	S	S	*	*	H	α-helix	trans	-57.6	-43	-179.6	-172.5	-176.8	-151.5	0	0	113.1	N196 T203 K204	N196-E200 WeakPolarHBondContact O-CB 3.48Å; N196-E200 PolarHBondContact O-N 2.97Å; E200-T203 WeakPolarHBondContact CA-OG1 3.33Å; E200-T203 PolarHBondContact O-OG1 2.99Å; E200-T203 VanDerWaalsContact O-OG1 3.08Å; E200-K204 VanDerWaalsContact O-CB 3.27Å; E200-K204 WeakPolarHBondContact O-CB 3.42Å; E200-K204 PolarHBondContact O-N 3.11Å
201	R	74.1	Confident	69.4	Low	184 Å²	184	121.5 Å²	121.5	69%	0.694	58%	0.584	S	S	*	*	H	α-helix	trans	-69.6	-32.2	175.6	-71.9	179.5	-179.9	178.3	1.7	113.1	I197 V199 K205	I197-R201 WeakPolarHBondContact O-CG 3.44Å; I197-R201 PolarHBondContact O-N 3.44Å; I197-R201 VanDerWaalsContact O-N 3.12Å; V199-R201 PolarHBondContact O-N 3.42Å; R201-K205 PolarHBondContact O-N 3.33Å
202	L	72.4	Confident	70.9	Confident	110 Å²	110	122.8 Å²	122.8	58%	0.576	58%	0.581	S	S	*	*	H	α-helix	trans	-77.6	-40.8	177.3	-73.7	171.1	0	0	0	111.9	R198 V199 K205 L206	R198-L202 HydrophobicContact CG-CD1 4.28Å; R198-L202 WeakPolarHBondContact O-CB 3.29Å; R198-L202 WeakPolarHBondContact O-CD1 3.22Å; R198-L202 VanDerWaalsContact O-CG 3.23Å; R198-L202 WeakPolarHBondContact O-CG 3.31Å; R198-L202 PolarHBondContact O-N 3.07Å; R198-L202 VanDerWaalsContact O-N 3.1Å; V199-L202 CarbonylContact O-C 3.57Å; V199-L202 PolarHBondContact O-N 3.09Å; L202-K205 PolarHBondContact O-N 2.76Å; L202-L206 VanDerWaalsContact O-CB 3.22Å; L202-L206 WeakPolarHBondContact O-CB 3.46Å; L202-L206 PolarHBondContact O-N 3.46Å
203	T	72.5	Confident	72.5	Confident	75 Å²	75	125.1 Å²	125.1	46%	0.46	58%	0.578	S	S	.	*	H	α-helix	trans	-64.8	-43.8	173.9	54.3	0	0	0	0	110.5	V199 E200 K205 L206 E207	V199-T203 HydrophobicContact CG1-CG2 3.98Å; V199-T203 WeakPolarHBondContact O-CG2 3.41Å; V199-T203 PolarHBondContact O-N 2.82Å; V199-T203 PolarHBondContact O-OG1 2.92Å; V199-T203 VanDerWaalsContact O-OG1 3.1Å; E200-T203 WeakPolarHBondContact CA-OG1 3.33Å; E200-T203 PolarHBondContact O-OG1 2.99Å; E200-T203 VanDerWaalsContact O-OG1 3.08Å; T203-K205 PolarHBondContact O-N 2.9Å; T203-L206 PolarHBondContact O-N 2.9Å; T203-L206 VanDerWaalsContact O-N 3.15Å; T203-E207 WeakPolarHBondContact O-CB 3.5Å; T203-E207 PolarHBondContact O-N 2.88Å
204	K	81.3	Confident	73.8	Confident	155 Å²	155	123.3 Å²	123.3	67%	0.674	56%	0.564	S	S	*	*	H	α-helix	trans	-57.8	-46.4	175.7	-174.2	168.6	-177.1	171.5	0	112.6	E200 E207 E208	E200-K204 VanDerWaalsContact O-CB 3.27Å; E200-K204 WeakPolarHBondContact O-CB 3.42Å; E200-K204 PolarHBondContact O-N 3.11Å; K204-E207 PolarHBondContact O-N 3.05Å; K204-E208 VanDerWaalsContact O-CB 3.29Å; K204-E208 WeakPolarHBondContact O-CB 3.45Å; K204-E208 PolarHBondContact O-N 3.33Å
205	K	78.3	Confident	75.2	Confident	150 Å²	150	121.5 Å²	121.5	65%	0.652	55%	0.549	S	S	*	.	H	α-helix	trans	-69.6	-30.9	175.8	-78.5	-166.9	170	-167.4	0	113.7	R201 L202 T203 R209	R201-K205 PolarHBondContact O-N 3.33Å; L202-K205 PolarHBondContact O-N 2.76Å; T203-K205 PolarHBondContact O-N 2.9Å; K205-R209 VanDerWaalsContact O-CB 3.29Å; K205-R209 WeakPolarHBondContact O-CB 3.39Å; K205-R209 PolarHBondContact O-N 2.97Å; K205-R209 VanDerWaalsContact O-N 3.13Å
206	L	71.9	Confident	76.4	Confident	88 Å²	88	120.4 Å²	120.4	46%	0.461	54%	0.541	S	S	.	.	H	α-helix	trans	-69.7	-39.3	174.9	-176.2	62.6	0	0	0	110.9	L202 T203 R210	L202-L206 VanDerWaalsContact O-CB 3.22Å; L202-L206 WeakPolarHBondContact O-CB 3.46Å; L202-L206 PolarHBondContact O-N 3.46Å; T203-L206 PolarHBondContact O-N 2.9Å; T203-L206 VanDerWaalsContact O-N 3.15Å; L206-R210 WeakPolarHBondContact O-CB 3.28Å; L206-R210 WeakPolarHBondContact O-CD 3.37Å; L206-R210 WeakPolarHBondContact O-CG 3.31Å; L206-R210 PolarHBondContact O-N 3.08Å
207	E	80.5	Confident	77.4	Confident	73 Å²	73	119.6 Å²	119.6	34%	0.341	53%	0.534	S	S	.	.	H	α-helix	trans	-73.9	-42	178.8	-148.7	58	-142.7	0	0	111.8	T203 K204 R209 R210 E211	T203-E207 WeakPolarHBondContact O-CB 3.5Å; T203-E207 PolarHBondContact O-N 2.88Å; K204-E207 PolarHBondContact O-N 3.05Å; E207-R209 VanDerWaalsContact C-N 3.29Å; E207-R209 PolarHBondContact O-N 3.38Å; E207-R210 CarbonylContact O-C 3.59Å; E207-R210 WeakPolarHBondContact O-CA 3.39Å; E207-R210 WeakPolarHBondContact O-CB 3.29Å; E207-R210 PolarHBondContact O-N 3.1Å; E207-R210 WeakPolarHBondContact OE2-CD 3.43Å; E207-R210 IonicContact OE2-CZ 3.67Å; E207-R210 IonicContact OE2-NE 3.87Å; E207-R210 IonicContact OE2-NH1 2.7Å; E207-R210 PolarHBondContact OE2-NH1 3.42Å; E207-E211 PolarHBondContact O-N 3.02Å
208	E	82.9	Confident	78.2	Confident	125 Å²	125	119.6 Å²	119.6	58%	0.584	53%	0.532	S	S	*	.	H	α-helix	trans	-54.6	-44.4	170.2	-176.6	171.8	-139.8	0	0	111.5	K204 E211 E212	K204-E208 VanDerWaalsContact O-CB 3.29Å; K204-E208 WeakPolarHBondContact O-CB 3.45Å; K204-E208 PolarHBondContact O-N 3.33Å; E208-E211 PolarHBondContact O-N 3.3Å; E208-E212 WeakPolarHBondContact O-CB 3.38Å; E208-E212 PolarHBondContact O-N 2.88Å
209	R	79.9	Confident	79.1	Confident	170 Å²	170	115.4 Å²	115.4	64%	0.642	52%	0.52	S	S	*	.	H	α-helix	trans	-73.9	-23.5	176.3	-161.8	178.6	-169.7	-165.2	4.1	113.9	K205 E207 K213	K205-R209 VanDerWaalsContact O-CB 3.29Å; K205-R209 WeakPolarHBondContact O-CB 3.39Å; K205-R209 PolarHBondContact O-N 2.97Å; K205-R209 VanDerWaalsContact O-N 3.13Å; E207-R209 VanDerWaalsContact C-N 3.29Å; E207-R209 PolarHBondContact O-N 3.38Å; R209-K213 WeakPolarHBondContact O-CB 3.49Å; R209-K213 WeakPolarHBondContact O-CG 3.4Å; R209-K213 PolarHBondContact O-N 2.91Å
210	R	77.4	Confident	79.8	Confident	130 Å²	130	117.7 Å²	117.7	49%	0.491	52%	0.521	S	S	.	.	H	α-helix	trans	-75.1	-41.5	170.5	-77.8	161.5	169.6	174.8	-3.6	110.9	L206 E207 R214	L206-R210 WeakPolarHBondContact O-CB 3.28Å; L206-R210 WeakPolarHBondContact O-CD 3.37Å; L206-R210 WeakPolarHBondContact O-CG 3.31Å; L206-R210 PolarHBondContact O-N 3.08Å; E207-R210 CarbonylContact O-C 3.59Å; E207-R210 WeakPolarHBondContact O-CA 3.39Å; E207-R210 WeakPolarHBondContact O-CB 3.29Å; E207-R210 PolarHBondContact O-N 3.1Å; E207-R210 WeakPolarHBondContact OE2-CD 3.43Å; E207-R210 IonicContact OE2-CZ 3.67Å; E207-R210 IonicContact OE2-NE 3.87Å; E207-R210 IonicContact OE2-NH1 2.7Å; E207-R210 PolarHBondContact OE2-NH1 3.42Å; R210-R214 WeakPolarHBondContact O-CB 3.5Å; R210-R214 PolarHBondContact O-N 2.79Å
211	E	83.2	Confident	80.5	Confident	87 Å²	87	118 Å²	118	41%	0.407	52%	0.522	S	S	.	.	H	α-helix	trans	-64	-44.5	173.7	-81.4	-166.5	-143.2	0	0	112	E207 E208 R214 K215	E207-E211 PolarHBondContact O-N 3.02Å; E208-E211 PolarHBondContact O-N 3.3Å; E211-R214 PolarHBondContact O-N 3.4Å; E211-K215 WeakPolarHBondContact O-CB 3.45Å; E211-K215 WeakPolarHBondContact O-CD 3.38Å; E211-K215 WeakPolarHBondContact O-CG 3.35Å; E211-K215 PolarHBondContact O-N 3.43Å; E211-K215 IonicContact OE2-NZ 2.98Å; E211-K215 PolarHBondContact OE2-NZ 3.22Å
212	E	83.6	Confident	81.1	Confident	133 Å²	133	114 Å²	114	62%	0.621	51%	0.514	S	S	*	.	H	α-helix	trans	-58.8	-48.6	176.3	-176.1	179.3	-137.9	0	0	111	E208 R214 K215 E216	E208-E212 WeakPolarHBondContact O-CB 3.38Å; E208-E212 PolarHBondContact O-N 2.88Å; E212-R214 PolarHBondContact O-N 3.32Å; E212-K215 PolarHBondContact O-N 3.22Å; E212-E216 PolarHBondContact O-N 3.23Å
213	K	80.6	Confident	81.8	Confident	119 Å²	119	114 Å²	114	52%	0.517	51%	0.509	S	S	.	.	H	α-helix	trans	-59.3	-45.7	173.8	-80.3	-173.8	167.7	-156.7	0	112.9	R209 K215 E216 E217	R209-K213 WeakPolarHBondContact O-CB 3.49Å; R209-K213 WeakPolarHBondContact O-CG 3.4Å; R209-K213 PolarHBondContact O-N 2.91Å; K213-K215 VanDerWaalsContact C-N 3.34Å; K213-K215 PolarHBondContact O-N 3.46Å; K213-E216 PolarHBondContact O-N 3.31Å; K213-E216 VanDerWaalsContact O-N 3.14Å; K213-E217 WeakPolarHBondContact O-CB 3.2Å; K213-E217 WeakPolarHBondContact O-CG 3.44Å; K213-E217 PolarHBondContact O-N 3.01Å
214	R	81.8	Confident	82.6	Confident	133 Å²	133	117 Å²	117	50%	0.502	52%	0.516	S	S	.	.	H	α-helix	trans	-60.2	-45.1	178.9	-162.6	-169.1	-54.6	175.5	6.5	111.1	R210 E211 E212 E216 E217 E218	R210-R214 WeakPolarHBondContact O-CB 3.5Å; R210-R214 PolarHBondContact O-N 2.79Å; E211-R214 PolarHBondContact O-N 3.4Å; E212-R214 PolarHBondContact O-N 3.32Å; R214-E216 VanDerWaalsContact C-N 3.32Å; R214-E216 PolarHBondContact O-N 3.04Å; R214-E217 PolarHBondContact O-N 2.76Å; R214-E218 WeakPolarHBondContact CD-OE1 3.48Å; R214-E218 WeakPolarHBondContact CG-OE1 3.42Å; R214-E218 VanDerWaalsContact O-CB 3.32Å; R214-E218 WeakPolarHBondContact O-CB 3.23Å; R214-E218 WeakPolarHBondContact O-CG 3.36Å; R214-E218 PolarHBondContact O-N 3.17Å
215	K	86.6	Confident	82.6	Confident	101 Å²	101	112.4 Å²	112.4	44%	0.439	50%	0.497	S	S	.	.	H	α-helix	trans	-65.3	-33.4	176	-68.2	162	-165.9	167.7	0	112.1	E211 E212 K213 Q219	E211-K215 WeakPolarHBondContact O-CB 3.45Å; E211-K215 WeakPolarHBondContact O-CD 3.38Å; E211-K215 WeakPolarHBondContact O-CG 3.35Å; E211-K215 PolarHBondContact O-N 3.43Å; E211-K215 IonicContact OE2-NZ 2.98Å; E211-K215 PolarHBondContact OE2-NZ 3.22Å; E212-K215 PolarHBondContact O-N 3.22Å; K213-K215 VanDerWaalsContact C-N 3.34Å; K213-K215 PolarHBondContact O-N 3.46Å; K215-Q219 WeakPolarHBondContact O-CB 3.45Å; K215-Q219 VanDerWaalsContact O-CG 3.27Å; K215-Q219 WeakPolarHBondContact O-CG 3.47Å; K215-Q219 PolarHBondContact O-N 3.14Å
216	E	83.4	Confident	83	Confident	91 Å²	91	110 Å²	110	43%	0.425	49%	0.49	S	S	.	.	H	α-helix	trans	-71.9	-40.8	173.7	-150.7	-155.3	163.6	0	0	112.2	E212 K213 R214 Q219 R220	E212-E216 PolarHBondContact O-N 3.23Å; K213-E216 PolarHBondContact O-N 3.31Å; K213-E216 VanDerWaalsContact O-N 3.14Å; R214-E216 VanDerWaalsContact C-N 3.32Å; R214-E216 PolarHBondContact O-N 3.04Å; E216-Q219 PolarHBondContact O-N 3.28Å; E216-R220 VanDerWaalsContact CD-CZ 3.46Å; E216-R220 VanDerWaalsContact CD-NE 3.3Å; E216-R220 WeakPolarHBondContact O-CB 3.3Å; E216-R220 WeakPolarHBondContact O-CD 3.49Å; E216-R220 WeakPolarHBondContact O-CG 3.46Å; E216-R220 PolarHBondContact O-N 3.12Å; E216-R220 IonicContact OE1-CZ 2.7Å; E216-R220 IonicContact OE1-NE 3.08Å; E216-R220 PolarHBondContact OE1-NE 2.99Å; E216-R220 IonicContact OE1-NH2 2.67Å; E216-R220 PolarHBondContact OE1-NH2 3.11Å; E216-R220 IonicContact OE2-CZ 3.15Å; E216-R220 IonicContact OE2-NE 2.94Å; E216-R220 IonicContact OE2-NH2 3.74Å; E216-R220 PolarHBondContact OE2-NH2 3.46Å; E216-R220 VanDerWaalsContact OE2-NH2 3.08Å
217	E	81.5	Confident	83.7	Confident	103 Å²	103	111.5 Å²	111.5	48%	0.481	49%	0.494	S	S	.	.	H	α-helix	trans	-65.8	-48.4	176.5	-74.5	164.8	-175.8	0	0	110.8	K213 R214 Q219 R220 E221	K213-E217 WeakPolarHBondContact O-CB 3.2Å; K213-E217 WeakPolarHBondContact O-CG 3.44Å; K213-E217 PolarHBondContact O-N 3.01Å; R214-E217 PolarHBondContact O-N 2.76Å; E217-Q219 VanDerWaalsContact C-N 3.34Å; E217-Q219 PolarHBondContact O-N 2.93Å; E217-R220 CarbonylContact O-C 3.4Å; E217-R220 WeakPolarHBondContact O-CB 3.31Å; E217-R220 PolarHBondContact O-N 3.09Å; E217-E221 WeakPolarHBondContact O-CG 3.38Å; E217-E221 PolarHBondContact O-N 3.38Å
218	E	86.3	Confident	84.2	Confident	94 Å²	94	115 Å²	115	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-53.4	-47.1	169.8	-74	165.6	-166.8	0	0	111.4	R214 R220 E221 I222	R214-E218 WeakPolarHBondContact CD-OE1 3.48Å; R214-E218 WeakPolarHBondContact CG-OE1 3.42Å; R214-E218 VanDerWaalsContact O-CB 3.32Å; R214-E218 WeakPolarHBondContact O-CB 3.23Å; R214-E218 WeakPolarHBondContact O-CG 3.36Å; R214-E218 PolarHBondContact O-N 3.17Å; E218-R220 PolarHBondContact O-N 3.37Å; E218-E221 PolarHBondContact O-N 3.41Å; E218-I222 WeakPolarHBondContact O-CB 3.35Å; E218-I222 WeakPolarHBondContact O-CD1 3.4Å; E218-I222 VanDerWaalsContact O-CG1 3.23Å; E218-I222 WeakPolarHBondContact O-CG1 3.3Å; E218-I222 PolarHBondContact O-N 3.34Å
219	Q	80.3	Confident	84.2	Confident	101 Å²	101	116.7 Å²	116.7	47%	0.472	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-36.1	175.7	-82.2	-173.2	42.3	0	0	113.3	K215 E216 E217 K223	K215-Q219 WeakPolarHBondContact O-CB 3.45Å; K215-Q219 VanDerWaalsContact O-CG 3.27Å; K215-Q219 WeakPolarHBondContact O-CG 3.47Å; K215-Q219 PolarHBondContact O-N 3.14Å; E216-Q219 PolarHBondContact O-N 3.28Å; E217-Q219 VanDerWaalsContact C-N 3.34Å; E217-Q219 PolarHBondContact O-N 2.93Å; Q219-K223 WeakPolarHBondContact O-CB 3.49Å; Q219-K223 VanDerWaalsContact O-CD 3.3Å; Q219-K223 WeakPolarHBondContact O-CD 3.29Å; Q219-K223 WeakPolarHBondContact O-CG 3.4Å; Q219-K223 PolarHBondContact O-N 3.08Å
220	R	85.5	Confident	84.8	Confident	123 Å²	123	114.2 Å²	114.2	46%	0.464	50%	0.499	S	S	.	.	H	α-helix	trans	-69.2	-36.7	176.7	-73.5	161	175.6	-158.9	2	110.8	E216 E217 E218 K224	E216-R220 VanDerWaalsContact CD-CZ 3.46Å; E216-R220 VanDerWaalsContact CD-NE 3.3Å; E216-R220 WeakPolarHBondContact O-CB 3.3Å; E216-R220 WeakPolarHBondContact O-CD 3.49Å; E216-R220 WeakPolarHBondContact O-CG 3.46Å; E216-R220 PolarHBondContact O-N 3.12Å; E216-R220 IonicContact OE1-CZ 2.7Å; E216-R220 IonicContact OE1-NE 3.08Å; E216-R220 PolarHBondContact OE1-NE 2.99Å; E216-R220 IonicContact OE1-NH2 2.67Å; E216-R220 PolarHBondContact OE1-NH2 3.11Å; E216-R220 IonicContact OE2-CZ 3.15Å; E216-R220 IonicContact OE2-NE 2.94Å; E216-R220 IonicContact OE2-NH2 3.74Å; E216-R220 PolarHBondContact OE2-NH2 3.46Å; E216-R220 VanDerWaalsContact OE2-NH2 3.08Å; E217-R220 CarbonylContact O-C 3.4Å; E217-R220 WeakPolarHBondContact O-CB 3.31Å; E217-R220 PolarHBondContact O-N 3.09Å; E218-R220 PolarHBondContact O-N 3.37Å; R220-K224 WeakPolarHBondContact O-CB 3.34Å; R220-K224 VanDerWaalsContact O-CG 3.24Å; R220-K224 WeakPolarHBondContact O-CG 3.49Å; R220-K224 PolarHBondContact O-N 3.19Å
221	E	86.8	Confident	85.3	Confident	132 Å²	132	112 Å²	112	62%	0.617	50%	0.5	S	S	*	.	H	α-helix	trans	-69.9	-45	174.2	-70.9	-174.7	168.2	0	0	112.2	E217 E218 K223 K224 E225	E217-E221 WeakPolarHBondContact O-CG 3.38Å; E217-E221 PolarHBondContact O-N 3.38Å; E218-E221 PolarHBondContact O-N 3.41Å; E221-K223 VanDerWaalsContact C-N 3.31Å; E221-K223 PolarHBondContact O-N 3.39Å; E221-K224 PolarHBondContact O-N 2.97Å; E221-E225 PolarHBondContact O-N 3.49Å
222	I	86.4	Confident	85.6	Confident	102 Å²	102	109.6 Å²	109.6	52%	0.523	50%	0.499	S	S	.	.	H	α-helix	trans	-58.4	-43.7	173.5	-70.2	164.5	0	0	0	110.7	E218 E225 I226	E218-I222 WeakPolarHBondContact O-CB 3.35Å; E218-I222 WeakPolarHBondContact O-CD1 3.4Å; E218-I222 VanDerWaalsContact O-CG1 3.23Å; E218-I222 WeakPolarHBondContact O-CG1 3.3Å; E218-I222 PolarHBondContact O-N 3.34Å; I222-E225 PolarHBondContact O-N 3.15Å; I222-I226 HydrophobicContact CG2-CD1 3.73Å; I222-I226 HydrophobicContact CG2-CG1 4.48Å; I222-I226 WeakPolarHBondContact O-CB 3.34Å; I222-I226 VanDerWaalsContact O-CG1 3.23Å; I222-I226 WeakPolarHBondContact O-CG1 3.23Å; I222-I226 PolarHBondContact O-N 2.99Å
223	K	86.5	Confident	86	Confident	108 Å²	108	109.6 Å²	109.6	47%	0.47	50%	0.497	S	S	.	.	H	α-helix	trans	-61.9	-47.1	175.6	-74.6	162.6	-168.6	163.3	0	111.7	Q219 E221 E225 I226 E227	Q219-K223 WeakPolarHBondContact O-CB 3.49Å; Q219-K223 VanDerWaalsContact O-CD 3.3Å; Q219-K223 WeakPolarHBondContact O-CD 3.29Å; Q219-K223 WeakPolarHBondContact O-CG 3.4Å; Q219-K223 PolarHBondContact O-N 3.08Å; E221-K223 VanDerWaalsContact C-N 3.31Å; E221-K223 PolarHBondContact O-N 3.39Å; K223-E225 PolarHBondContact O-N 2.89Å; K223-I226 PolarHBondContact O-N 3.4Å; K223-E227 WeakPolarHBondContact O-CB 3.28Å; K223-E227 WeakPolarHBondContact O-CG 3.48Å; K223-E227 PolarHBondContact O-N 2.87Å
224	K	88.9	Confident	86.5	Confident	140 Å²	140	108.8 Å²	108.8	61%	0.609	50%	0.495	S	S	*	.	H	α-helix	trans	-59.8	-42.8	176.1	-74.7	168.3	-178.8	178.3	0	112.9	R220 E221 E227 R228	R220-K224 WeakPolarHBondContact O-CB 3.34Å; R220-K224 VanDerWaalsContact O-CG 3.24Å; R220-K224 WeakPolarHBondContact O-CG 3.49Å; R220-K224 PolarHBondContact O-N 3.19Å; E221-K224 PolarHBondContact O-N 2.97Å; K224-E227 PolarHBondContact O-N 3.15Å; K224-R228 WeakPolarHBondContact O-CB 3.21Å; K224-R228 PolarHBondContact O-N 3.47Å
225	E	83.3	Confident	86.7	Confident	58 Å²	58	107.9 Å²	107.9	27%	0.271	50%	0.498	S	S	.	.	H	α-helix	trans	-70.8	-34.1	178.4	175.6	59.4	-175.5	0	0	111.9	E221 I222 K223 R228 R229	E221-E225 PolarHBondContact O-N 3.49Å; I222-E225 PolarHBondContact O-N 3.15Å; K223-E225 PolarHBondContact O-N 2.89Å; E225-R228 VanDerWaalsContact CD-NH2 3.32Å; E225-R228 IonicContact OE1-CZ 2.71Å; E225-R228 IonicContact OE1-NE 3.08Å; E225-R228 IonicContact OE1-NH2 2.68Å; E225-R228 PolarHBondContact OE1-NH2 3.37Å; E225-R228 IonicContact OE2-CZ 3.32Å; E225-R228 VanDerWaalsContact OE2-CZ 3.3Å; E225-R228 IonicContact OE2-NE 3.21Å; E225-R228 PolarHBondContact OE2-NE 2.95Å; E225-R228 IonicContact OE2-NH2 3.84Å; E225-R228 PolarHBondContact OE2-NH2 3.44Å; E225-R229 WeakPolarHBondContact O-CB 3.3Å; E225-R229 VanDerWaalsContact O-CG 3.24Å; E225-R229 WeakPolarHBondContact O-CG 3.2Å; E225-R229 PolarHBondContact O-N 2.92Å; E225-R229 IonicContact OE1-CZ 3.64Å; E225-R229 IonicContact OE1-NE 3.57Å; E225-R229 PolarHBondContact OE1-NE 2.87Å; E225-R229 IonicContact OE1-NH2 3.77Å; E225-R229 PolarHBondContact OE1-NH2 3.23Å
226	I	86.4	Confident	86.7	Confident	99 Å²	99	108.7 Å²	108.7	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-64.7	-44.3	170.1	-71.5	167.3	0	0	0	110.6	I222 K223 R229 K230	I222-I226 HydrophobicContact CG2-CD1 3.73Å; I222-I226 HydrophobicContact CG2-CG1 4.48Å; I222-I226 WeakPolarHBondContact O-CB 3.34Å; I222-I226 VanDerWaalsContact O-CG1 3.23Å; I222-I226 WeakPolarHBondContact O-CG1 3.23Å; I222-I226 PolarHBondContact O-N 2.99Å; K223-I226 PolarHBondContact O-N 3.4Å; I226-R229 PolarHBondContact O-N 3.13Å; I226-K230 WeakPolarHBondContact O-CB 3.43Å; I226-K230 PolarHBondContact O-N 2.81Å
227	E	86.2	Confident	87.1	Confident	119 Å²	119	106.4 Å²	106.4	56%	0.556	50%	0.497	S	S	*	.	H	α-helix	trans	-65	-40.1	177.2	-75	171.5	177.9	0	0	112.2	K223 K224 K230 T231	K223-E227 WeakPolarHBondContact O-CB 3.28Å; K223-E227 WeakPolarHBondContact O-CG 3.48Å; K223-E227 PolarHBondContact O-N 2.87Å; K224-E227 PolarHBondContact O-N 3.15Å; E227-K230 PolarHBondContact O-N 3.19Å; E227-T231 WeakPolarHBondContact O-CB 2.83Å; E227-T231 WeakPolarHBondContact O-CG2 3.3Å; E227-T231 PolarHBondContact O-N 2.93Å; E227-T231 PolarHBondContact O-OG1 3.35Å
228	R	89.9	Confident	87.6	Confident	147 Å²	147	107.6 Å²	107.6	56%	0.555	50%	0.498	S	S	*	.	H	α-helix	trans	-64	-40.6	173	-165.8	-165.2	65.5	77.6	2.8	112.3	K224 E225 T231 G232	K224-R228 WeakPolarHBondContact O-CB 3.21Å; K224-R228 PolarHBondContact O-N 3.47Å; E225-R228 VanDerWaalsContact CD-NH2 3.32Å; E225-R228 IonicContact OE1-CZ 2.71Å; E225-R228 IonicContact OE1-NE 3.08Å; E225-R228 IonicContact OE1-NH2 2.68Å; E225-R228 PolarHBondContact OE1-NH2 3.37Å; E225-R228 IonicContact OE2-CZ 3.32Å; E225-R228 VanDerWaalsContact OE2-CZ 3.3Å; E225-R228 IonicContact OE2-NE 3.21Å; E225-R228 PolarHBondContact OE2-NE 2.95Å; E225-R228 IonicContact OE2-NH2 3.84Å; E225-R228 PolarHBondContact OE2-NH2 3.44Å; R228-T231 WeakPolarHBondContact CA-OG1 3.18Å; R228-T231 PolarHBondContact O-OG1 2.99Å; R228-G232 PolarHBondContact O-N 2.81Å
229	R	83.6	Confident	87.8	Confident	161 Å²	161	108.6 Å²	108.6	61%	0.608	50%	0.501	S	S	*	.	H	α-helix	trans	-68.2	-39.7	173.7	-73.6	174.3	-168.3	-173.5	8.2	112.1	E225 I226 K233	E225-R229 WeakPolarHBondContact O-CB 3.3Å; E225-R229 VanDerWaalsContact O-CG 3.24Å; E225-R229 WeakPolarHBondContact O-CG 3.2Å; E225-R229 PolarHBondContact O-N 2.92Å; E225-R229 IonicContact OE1-CZ 3.64Å; E225-R229 IonicContact OE1-NE 3.57Å; E225-R229 PolarHBondContact OE1-NE 2.87Å; E225-R229 IonicContact OE1-NH2 3.77Å; E225-R229 PolarHBondContact OE1-NH2 3.23Å; I226-R229 PolarHBondContact O-N 3.13Å; R229-K233 VanDerWaalsContact O-CB 3.32Å; R229-K233 WeakPolarHBondContact O-CB 3.47Å; R229-K233 PolarHBondContact O-N 2.89Å
230	K	92.6	Very high	88.4	Confident	118 Å²	118	109.8 Å²	109.8	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-64.4	-53.9	178.6	179.6	-179.1	170	-174.2	0	110.7	I226 E227 G232 K233 E234	I226-K230 WeakPolarHBondContact O-CB 3.43Å; I226-K230 PolarHBondContact O-N 2.81Å; E227-K230 PolarHBondContact O-N 3.19Å; K230-G232 PolarHBondContact O-N 3.13Å; K230-K233 PolarHBondContact O-N 3.34Å; K230-K233 VanDerWaalsContact O-N 3.16Å; K230-E234 WeakPolarHBondContact CE-OE1 3.39Å; K230-E234 HydrophobicContact CG-CG 4.39Å; K230-E234 IonicContact NZ-OE1 2.72Å; K230-E234 WeakPolarHBondContact O-CB 3.35Å; K230-E234 WeakPolarHBondContact O-CG 3.45Å; K230-E234 PolarHBondContact O-N 3.5Å
231	T	87.6	Confident	88.7	Confident	83 Å²	83	110 Å²	110	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-60.1	-42.3	176.4	47.6	0	0	0	0	112.2	E227 R228 K233 E234 M235	E227-T231 WeakPolarHBondContact O-CB 2.83Å; E227-T231 WeakPolarHBondContact O-CG2 3.3Å; E227-T231 PolarHBondContact O-N 2.93Å; E227-T231 PolarHBondContact O-OG1 3.35Å; R228-T231 WeakPolarHBondContact CA-OG1 3.18Å; R228-T231 PolarHBondContact O-OG1 2.99Å; T231-K233 PolarHBondContact O-N 2.73Å; T231-E234 PolarHBondContact O-N 3.49Å; T231-M235 WeakPolarHBondContact O-CB 3.05Å; T231-M235 PolarHBondContact O-N 2.88Å
232	G	89.3	Confident	88.8	Confident	36 Å²	36	108.4 Å²	108.4	37%	0.371	50%	0.498	S	S	.	.	H	α-helix	trans	-60.7	-41.6	173.7	0	0	0	0	0	113.3	R228 K230 L236	R228-G232 PolarHBondContact O-N 2.81Å; K230-G232 PolarHBondContact O-N 3.13Å; G232-L236 WeakPolarHBondContact O-CG 3.31Å; G232-L236 PolarHBondContact O-N 2.78Å; G232-L236 VanDerWaalsContact O-N 3.14Å
233	K	92.3	Very high	89	Confident	133 Å²	133	108 Å²	108	58%	0.578	49%	0.494	S	S	*	.	H	α-helix	trans	-67.5	-46.5	174.8	-178.4	-179.6	175	-175.6	0	111.9	R229 K230 T231 M235 L236 D237	R229-K233 VanDerWaalsContact O-CB 3.32Å; R229-K233 WeakPolarHBondContact O-CB 3.47Å; R229-K233 PolarHBondContact O-N 2.89Å; K230-K233 PolarHBondContact O-N 3.34Å; K230-K233 VanDerWaalsContact O-N 3.16Å; T231-K233 PolarHBondContact O-N 2.73Å; K233-M235 VanDerWaalsContact C-N 3.26Å; K233-M235 PolarHBondContact O-N 2.89Å; K233-L236 PolarHBondContact O-N 2.7Å; K233-L236 VanDerWaalsContact O-N 3.16Å; K233-D237 WeakPolarHBondContact CE-OD2 3.39Å; K233-D237 WeakPolarHBondContact CG-OD2 3.43Å; K233-D237 WeakPolarHBondContact O-CB 3.34Å; K233-D237 PolarHBondContact O-N 2.77Å
234	E	91.1	Very high	89.2	Confident	102 Å²	102	107.9 Å²	107.9	48%	0.477	50%	0.495	S	S	.	.	H	α-helix	trans	-61.1	-36.2	179.1	-74.4	170.6	163.1	0	0	111.2	K230 T231 Y238	K230-E234 WeakPolarHBondContact CE-OE1 3.39Å; K230-E234 HydrophobicContact CG-CG 4.39Å; K230-E234 IonicContact NZ-OE1 2.72Å; K230-E234 WeakPolarHBondContact O-CB 3.35Å; K230-E234 WeakPolarHBondContact O-CG 3.45Å; K230-E234 PolarHBondContact O-N 3.5Å; T231-E234 PolarHBondContact O-N 3.49Å; E234-Y238 WeakPolarHBondContact O-CB 3.44Å; E234-Y238 PolarHBondContact O-N 3.24Å
235	M	86.8	Confident	89.4	Confident	115 Å²	115	106 Å²	106	57%	0.567	49%	0.488	S	S	*	.	H	α-helix	trans	-67.5	-42.2	173.3	-171.6	81.9	-76.7	0	0	112.7	T231 K233 Y238 K239	T231-M235 WeakPolarHBondContact O-CB 3.05Å; T231-M235 PolarHBondContact O-N 2.88Å; K233-M235 VanDerWaalsContact C-N 3.26Å; K233-M235 PolarHBondContact O-N 2.89Å; M235-Y238 HydrophobicContact CE-CD1 3.66Å; M235-Y238 HydrophobicContact CE-CE1 4.45Å; M235-Y238 HydrophobicContact CE-CG 4.18Å; M235-Y238 PolarHBondContact O-N 2.95Å; M235-K239 WeakPolarHBondContact O-CB 3.44Å; M235-K239 PolarHBondContact O-N 3Å
236	L	87.3	Confident	89.7	Confident	117 Å²	117	108.4 Å²	108.4	61%	0.613	50%	0.502	S	S	*	.	H	α-helix	trans	-66.7	-42.9	175.6	-73.3	170.1	0	0	0	112.3	G232 K233 Y238 K239 R240	G232-L236 WeakPolarHBondContact O-CG 3.31Å; G232-L236 PolarHBondContact O-N 2.78Å; G232-L236 VanDerWaalsContact O-N 3.14Å; K233-L236 PolarHBondContact O-N 2.7Å; K233-L236 VanDerWaalsContact O-N 3.16Å; L236-Y238 VanDerWaalsContact C-N 3.34Å; L236-K239 PolarHBondContact O-N 3.28Å; L236-R240 WeakPolarHBondContact O-CB 3.42Å; L236-R240 PolarHBondContact O-N 2.99Å
237	D	91.4	Very high	89.9	Confident	44 Å²	44	107.7 Å²	107.7	24%	0.235	50%	0.503	C	S	.	.	H	α-helix	trans	-70.7	-30	177.7	-71.7	-20.5	0	0	0	111.5	K233 R240 K241	K233-D237 WeakPolarHBondContact CE-OD2 3.39Å; K233-D237 WeakPolarHBondContact CG-OD2 3.43Å; K233-D237 WeakPolarHBondContact O-CB 3.34Å; K233-D237 PolarHBondContact O-N 2.77Å; D237-R240 IonicContact OD1-CZ 2.75Å; D237-R240 IonicContact OD1-NE 2.68Å; D237-R240 IonicContact OD1-NH2 3.25Å; D237-R240 PolarHBondContact OD1-NH2 3.38Å; D237-K241 WeakPolarHBondContact O-CB 3.47Å; D237-K241 VanDerWaalsContact O-CG 3.25Å; D237-K241 WeakPolarHBondContact O-CG 3.49Å; D237-K241 PolarHBondContact O-N 2.67Å; D237-K241 VanDerWaalsContact O-N 3.12Å
238	Y	91.1	Very high	90.3	Very high	128 Å²	128	108.5 Å²	108.5	50%	0.502	50%	0.504	S	S	.	.	H	α-helix	trans	-67.7	-48.7	170	-179	-92.7	0	0	0	112.1	E234 M235 L236 R240 K241 Q242	E234-Y238 WeakPolarHBondContact O-CB 3.44Å; E234-Y238 PolarHBondContact O-N 3.24Å; M235-Y238 HydrophobicContact CE-CD1 3.66Å; M235-Y238 HydrophobicContact CE-CE1 4.45Å; M235-Y238 HydrophobicContact CE-CG 4.18Å; M235-Y238 PolarHBondContact O-N 2.95Å; L236-Y238 VanDerWaalsContact C-N 3.34Å; Y238-R240 VanDerWaalsContact C-N 3.33Å; Y238-R240 PolarHBondContact O-N 3.48Å; Y238-K241 PolarHBondContact O-N 2.92Å; Y238-Q242 HydrophobicContact CD1-CG 4.49Å; Y238-Q242 HydrophobicContact CE1-CG 4.1Å; Y238-Q242 VanDerWaalsContact CE1-NE2 3.35Å; Y238-Q242 PolarHBondContact O-N 2.87Å; Y238-Q242 PolarHBondContact OH-NE2 3.27Å; Y238-Q242 VanDerWaalsContact OH-NE2 3.14Å
239	K	91.3	Very high	90.4	Very high	114 Å²	114	108.3 Å²	108.3	50%	0.496	50%	0.503	S	S	.	.	H	α-helix	trans	-59.4	-44.6	177.7	-173.8	175.1	-174	-78.3	0	111.4	M235 L236 K241 Q242 E243	M235-K239 WeakPolarHBondContact O-CB 3.44Å; M235-K239 PolarHBondContact O-N 3Å; L236-K239 PolarHBondContact O-N 3.28Å; K239-K241 PolarHBondContact O-N 3.41Å; K239-Q242 PolarHBondContact O-N 2.93Å; K239-E243 IonicContact NZ-OE1 3.5Å; K239-E243 PolarHBondContact NZ-OE1 2.91Å; K239-E243 PolarHBondContact O-N 2.85Å
240	R	92.1	Very high	90.6	Very high	127 Å²	127	106.3 Å²	106.3	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-59.5	-43.6	175.9	-162.8	-163.3	-42.8	-161.2	6	112.1	L236 D237 Y238 Q242 E243 E244	L236-R240 WeakPolarHBondContact O-CB 3.42Å; L236-R240 PolarHBondContact O-N 2.99Å; D237-R240 IonicContact OD1-CZ 2.75Å; D237-R240 IonicContact OD1-NE 2.68Å; D237-R240 IonicContact OD1-NH2 3.25Å; D237-R240 PolarHBondContact OD1-NH2 3.38Å; Y238-R240 VanDerWaalsContact C-N 3.33Å; Y238-R240 PolarHBondContact O-N 3.48Å; R240-Q242 VanDerWaalsContact C-N 3.33Å; R240-Q242 PolarHBondContact O-N 3.29Å; R240-E243 PolarHBondContact O-N 3.09Å; R240-E244 WeakPolarHBondContact CD-OE1 3.43Å; R240-E244 HydrophobicContact CG-CG 4.48Å; R240-E244 WeakPolarHBondContact CG-OE1 3.27Å; R240-E244 WeakPolarHBondContact O-CB 3.26Å; R240-E244 WeakPolarHBondContact O-CG 3.37Å; R240-E244 PolarHBondContact O-N 3.48Å
241	K	92.6	Very high	90.5	Very high	128 Å²	128	105.5 Å²	105.5	56%	0.557	50%	0.503	S	S	*	.	H	α-helix	trans	-62.3	-36.7	175.6	-77.6	171.3	-179.3	-179.8	0	112.9	D237 Y238 K239 E245	D237-K241 WeakPolarHBondContact O-CB 3.47Å; D237-K241 VanDerWaalsContact O-CG 3.25Å; D237-K241 WeakPolarHBondContact O-CG 3.49Å; D237-K241 PolarHBondContact O-N 2.67Å; D237-K241 VanDerWaalsContact O-N 3.12Å; Y238-K241 PolarHBondContact O-N 2.92Å; K239-K241 PolarHBondContact O-N 3.41Å; K241-E245 WeakPolarHBondContact O-CB 3.36Å; K241-E245 WeakPolarHBondContact O-CG 3.47Å; K241-E245 PolarHBondContact O-N 3.01Å
242	Q	88	Confident	90.7	Very high	97 Å²	97	107.3 Å²	107.3	45%	0.453	51%	0.506	S	S	.	.	H	α-helix	trans	-64.8	-42.4	173.1	-70.4	-170.1	-34.4	0	0	111.7	Y238 K239 R240 E245 L246	Y238-Q242 HydrophobicContact CD1-CG 4.49Å; Y238-Q242 HydrophobicContact CE1-CG 4.1Å; Y238-Q242 VanDerWaalsContact CE1-NE2 3.35Å; Y238-Q242 PolarHBondContact O-N 2.87Å; Y238-Q242 PolarHBondContact OH-NE2 3.27Å; Y238-Q242 VanDerWaalsContact OH-NE2 3.14Å; K239-Q242 PolarHBondContact O-N 2.93Å; R240-Q242 VanDerWaalsContact C-N 3.33Å; R240-Q242 PolarHBondContact O-N 3.29Å; Q242-E245 PolarHBondContact O-N 2.95Å; Q242-L246 WeakPolarHBondContact O-CB 3.32Å; Q242-L246 VanDerWaalsContact O-CG 3.26Å; Q242-L246 WeakPolarHBondContact O-CG 3.32Å; Q242-L246 PolarHBondContact O-N 3.41Å
243	E	90.5	Very high	90.8	Very high	94 Å²	94	111 Å²	111	44%	0.439	51%	0.513	S	S	.	.	H	α-helix	trans	-65.7	-41.8	176.7	-69.1	167.4	179.7	0	0	112	K239 R240 T247	K239-E243 IonicContact NZ-OE1 3.5Å; K239-E243 PolarHBondContact NZ-OE1 2.91Å; K239-E243 PolarHBondContact O-N 2.85Å; R240-E243 PolarHBondContact O-N 3.09Å; E243-T247 WeakPolarHBondContact O-CB 3.39Å; E243-T247 WeakPolarHBondContact O-CG2 3.21Å; E243-T247 PolarHBondContact O-N 2.8Å; E243-T247 PolarHBondContact O-OG1 3.24Å
244	E	91.1	Very high	90.6	Very high	105 Å²	105	112.1 Å²	112.1	49%	0.491	51%	0.514	S	S	.	.	H	α-helix	trans	-64.4	-41	173.4	-73.4	170.2	-168.3	0	0	112.2	R240 T247 K248	R240-E244 WeakPolarHBondContact CD-OE1 3.43Å; R240-E244 HydrophobicContact CG-CG 4.48Å; R240-E244 WeakPolarHBondContact CG-OE1 3.27Å; R240-E244 WeakPolarHBondContact O-CB 3.26Å; R240-E244 WeakPolarHBondContact O-CG 3.37Å; R240-E244 PolarHBondContact O-N 3.48Å; E244-T247 WeakPolarHBondContact CA-OG1 3.37Å; E244-T247 PolarHBondContact O-OG1 3.21Å; E244-T247 VanDerWaalsContact O-OG1 3.13Å; E244-K248 WeakPolarHBondContact O-CB 3.18Å; E244-K248 PolarHBondContact O-N 3.45Å
245	E	92.3	Very high	90.8	Very high	102 Å²	102	111 Å²	111	48%	0.477	51%	0.512	S	S	.	.	H	α-helix	trans	-67.9	-42.7	176.1	-84.2	-165	-139.4	0	0	112.7	K241 Q242 K248 R249	K241-E245 WeakPolarHBondContact O-CB 3.36Å; K241-E245 WeakPolarHBondContact O-CG 3.47Å; K241-E245 PolarHBondContact O-N 3.01Å; Q242-E245 PolarHBondContact O-N 2.95Å; E245-K248 PolarHBondContact O-N 2.89Å; E245-R249 WeakPolarHBondContact O-CB 3.49Å; E245-R249 VanDerWaalsContact O-CG 3.23Å; E245-R249 WeakPolarHBondContact O-CG 3.46Å; E245-R249 PolarHBondContact O-N 3.07Å; E245-R249 IonicContact OE2-CZ 3.94Å; E245-R249 IonicContact OE2-NE 3.3Å; E245-R249 IonicContact OE2-NH2 2.61Å; E245-R249 PolarHBondContact OE2-NH2 2.86Å
246	L	91.1	Very high	91.1	Very high	108 Å²	108	112.5 Å²	112.5	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-64.8	-45.5	178.4	-71.7	170.4	0	0	0	111.3	Q242 R249 M250	Q242-L246 WeakPolarHBondContact O-CB 3.32Å; Q242-L246 VanDerWaalsContact O-CG 3.26Å; Q242-L246 WeakPolarHBondContact O-CG 3.32Å; Q242-L246 PolarHBondContact O-N 3.41Å; L246-R249 PolarHBondContact O-N 3.16Å; L246-M250 WeakPolarHBondContact O-CG 3.25Å; L246-M250 PolarHBondContact O-N 3.23Å; L246-M250 VanDerWaalsContact O-N 3.1Å
247	T	89.5	Confident	91.3	Very high	84 Å²	84	113 Å²	113	52%	0.515	51%	0.51	S	S	.	.	H	α-helix	trans	-65.9	-38	176.4	50.6	0	0	0	0	112.4	E243 E244 M250 L251	E243-T247 WeakPolarHBondContact O-CB 3.39Å; E243-T247 WeakPolarHBondContact O-CG2 3.21Å; E243-T247 PolarHBondContact O-N 2.8Å; E243-T247 PolarHBondContact O-OG1 3.24Å; E244-T247 WeakPolarHBondContact CA-OG1 3.37Å; E244-T247 PolarHBondContact O-OG1 3.21Å; E244-T247 VanDerWaalsContact O-OG1 3.13Å; T247-M250 HydrophobicContact CG2-CE 4.23Å; T247-L251 WeakPolarHBondContact O-CB 3.44Å; T247-L251 PolarHBondContact O-N 2.88Å; T247-L251 VanDerWaalsContact O-N 3.08Å
248	K	94.1	Very high	91.4	Very high	136 Å²	136	115.4 Å²	115.4	59%	0.591	52%	0.518	S	S	*	.	H	α-helix	trans	-61.3	-47.7	172.8	-176	-174.1	174.9	-169.4	0	112.1	E244 E245 L251 E252	E244-K248 WeakPolarHBondContact O-CB 3.18Å; E244-K248 PolarHBondContact O-N 3.45Å; E245-K248 PolarHBondContact O-N 2.89Å; K248-L251 PolarHBondContact O-N 3.25Å; K248-E252 WeakPolarHBondContact O-CB 3.29Å; K248-E252 PolarHBondContact O-N 2.88Å
249	R	92.5	Very high	91.6	Very high	142 Å²	142	111.9 Å²	111.9	54%	0.536	52%	0.516	S	S	.	.	H	α-helix	trans	-60.4	-46.6	179.6	-70.8	170.6	-161.8	-151.6	8.3	111.4	E245 L246 L251 E252 E253	E245-R249 WeakPolarHBondContact O-CB 3.49Å; E245-R249 VanDerWaalsContact O-CG 3.23Å; E245-R249 WeakPolarHBondContact O-CG 3.46Å; E245-R249 PolarHBondContact O-N 3.07Å; E245-R249 IonicContact OE2-CZ 3.94Å; E245-R249 IonicContact OE2-NE 3.3Å; E245-R249 IonicContact OE2-NH2 2.61Å; E245-R249 PolarHBondContact OE2-NH2 2.86Å; L246-R249 PolarHBondContact O-N 3.16Å; R249-L251 VanDerWaalsContact C-N 3.3Å; R249-L251 PolarHBondContact O-N 2.65Å; R249-E252 PolarHBondContact O-N 2.88Å; R249-E253 WeakPolarHBondContact O-CG 3.26Å; R249-E253 PolarHBondContact O-N 3.13Å
250	M	88.2	Confident	91.7	Very high	120 Å²	120	112 Å²	112	59%	0.591	52%	0.518	S	S	*	.	H	α-helix	trans	-60.5	-36.9	175.3	-70.1	-170.5	-65.1	0	0	113	L246 T247 R254	L246-M250 WeakPolarHBondContact O-CG 3.25Å; L246-M250 PolarHBondContact O-N 3.23Å; L246-M250 VanDerWaalsContact O-N 3.1Å; T247-M250 HydrophobicContact CG2-CE 4.23Å; M250-R254 VanDerWaalsContact O-CB 3.24Å; M250-R254 WeakPolarHBondContact O-CB 3.3Å; M250-R254 PolarHBondContact O-N 2.77Å
251	L	89.8	Confident	91.7	Very high	100 Å²	100	109.2 Å²	109.2	52%	0.524	51%	0.513	S	S	.	.	H	α-helix	trans	-70.7	-38.5	176.1	-178.9	60.6	0	0	0	112.1	T247 K248 R249 N255	T247-L251 WeakPolarHBondContact O-CB 3.44Å; T247-L251 PolarHBondContact O-N 2.88Å; T247-L251 VanDerWaalsContact O-N 3.08Å; K248-L251 PolarHBondContact O-N 3.25Å; R249-L251 VanDerWaalsContact C-N 3.3Å; R249-L251 PolarHBondContact O-N 2.65Å; L251-N255 VanDerWaalsContact O-CB 3.29Å; L251-N255 WeakPolarHBondContact O-CB 3.39Å; L251-N255 PolarHBondContact O-N 3.01Å; L251-N255 PolarHBondContact O-ND2 3.23Å
252	E	92.4	Very high	91.8	Very high	122 Å²	122	110.7 Å²	110.7	57%	0.57	52%	0.515	S	S	*	.	H	α-helix	trans	-66.5	-46.8	177.8	-170.5	167.4	170.9	0	0	111.3	K248 R249 N255 R256	K248-E252 WeakPolarHBondContact O-CB 3.29Å; K248-E252 PolarHBondContact O-N 2.88Å; R249-E252 PolarHBondContact O-N 2.88Å; E252-N255 PolarHBondContact O-N 2.86Å; E252-R256 PolarHBondContact O-N 2.88Å
253	E	91.3	Very high	92.1	Very high	112 Å²	112	107.5 Å²	107.5	52%	0.523	51%	0.505	S	S	.	.	H	α-helix	trans	-61	-47.6	174.3	-70.9	-178	147.1	0	0	111.9	R249 N255 R256 E257	R249-E253 WeakPolarHBondContact O-CG 3.26Å; R249-E253 PolarHBondContact O-N 3.13Å; E253-N255 PolarHBondContact O-N 3.47Å; E253-R256 PolarHBondContact O-N 3.18Å; E253-R256 VanDerWaalsContact O-N 3.17Å; E253-E257 WeakPolarHBondContact O-CB 3.29Å; E253-E257 PolarHBondContact O-N 2.82Å
254	R	88.7	Confident	92.3	Very high	158 Å²	158	105 Å²	105	60%	0.596	50%	0.5	S	S	*	.	H	α-helix	trans	-63.5	-29.7	177.2	-170	177.2	-174.3	-171.3	4.4	112.8	M250 K258	M250-R254 VanDerWaalsContact O-CB 3.24Å; M250-R254 WeakPolarHBondContact O-CB 3.3Å; M250-R254 PolarHBondContact O-N 2.77Å; R254-K258 WeakPolarHBondContact O-CB 3.45Å; R254-K258 WeakPolarHBondContact O-CD 3.36Å; R254-K258 WeakPolarHBondContact O-CG 3.38Å; R254-K258 PolarHBondContact O-N 3.46Å
255	N	93.8	Very high	92.5	Very high	79 Å²	79	107.7 Å²	107.7	42%	0.422	51%	0.506	S	S	.	.	H	α-helix	trans	-80.2	-32.7	175.7	-73.8	-17.6	0	0	0	112.3	L251 E252 E253 K258 A259	L251-N255 VanDerWaalsContact O-CB 3.29Å; L251-N255 WeakPolarHBondContact O-CB 3.39Å; L251-N255 PolarHBondContact O-N 3.01Å; L251-N255 PolarHBondContact O-ND2 3.23Å; E252-N255 PolarHBondContact O-N 2.86Å; E253-N255 PolarHBondContact O-N 3.47Å; N255-K258 PolarHBondContact OD1-NZ 3.16Å; N255-A259 WeakPolarHBondContact O-CB 3.21Å; N255-A259 PolarHBondContact O-N 2.87Å; N255-A259 VanDerWaalsContact O-N 3.12Å
256	R	94.9	Very high	92.6	Very high	145 Å²	145	107.7 Å²	107.7	55%	0.547	51%	0.506	S	S	.	.	H	α-helix	trans	-63.6	-50.3	169.8	-173.2	-179.5	72.3	-141.8	-5.5	111	E252 E253 K258 A259 E260	E252-R256 PolarHBondContact O-N 2.88Å; E253-R256 PolarHBondContact O-N 3.18Å; E253-R256 VanDerWaalsContact O-N 3.17Å; R256-K258 PolarHBondContact O-N 2.91Å; R256-A259 WeakPolarHBondContact O-CB 3.29Å; R256-A259 PolarHBondContact O-N 3.1Å; R256-E260 WeakPolarHBondContact CD-OE1 3.44Å; R256-E260 HydrophobicContact CG-CG 4.48Å; R256-E260 WeakPolarHBondContact CG-OE1 3.29Å; R256-E260 IonicContact NE-OE1 2.67Å; R256-E260 WeakPolarHBondContact O-CG 3.3Å; R256-E260 PolarHBondContact O-N 3.41Å
257	E	90.1	Very high	92.8	Very high	128 Å²	128	110.5 Å²	110.5	60%	0.598	51%	0.509	S	S	*	.	H	α-helix	trans	-54.5	-49.1	176.3	-177.2	-171.1	-156.9	0	0	111.7	E253 A259 E260 D261	E253-E257 WeakPolarHBondContact O-CB 3.29Å; E253-E257 PolarHBondContact O-N 2.82Å; E257-A259 VanDerWaalsContact C-N 3.28Å; E257-A259 PolarHBondContact O-N 2.88Å; E257-E260 PolarHBondContact O-N 2.91Å; E257-D261 WeakPolarHBondContact O-CB 3.24Å; E257-D261 PolarHBondContact O-N 2.89Å
258	K	94.8	Very high	93.2	Very high	94 Å²	94	111.1 Å²	111.1	41%	0.409	51%	0.508	S	S	.	.	H	α-helix	trans	-59.6	-34.1	174.8	-75.5	167.8	-172.6	164.3	0	113.6	R254 N255 R256 R262	R254-K258 WeakPolarHBondContact O-CB 3.45Å; R254-K258 WeakPolarHBondContact O-CD 3.36Å; R254-K258 WeakPolarHBondContact O-CG 3.38Å; R254-K258 PolarHBondContact O-N 3.46Å; N255-K258 PolarHBondContact OD1-NZ 3.16Å; R256-K258 PolarHBondContact O-N 2.91Å; K258-R262 VanDerWaalsContact O-CB 3.22Å; K258-R262 WeakPolarHBondContact O-CB 3.38Å; K258-R262 PolarHBondContact O-N 2.84Å
259	A	94.1	Very high	93.2	Very high	55 Å²	55	112.5 Å²	112.5	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-74.9	-39.9	178.9	0	0	0	0	0	111.2	N255 R256 E257 A263	N255-A259 WeakPolarHBondContact O-CB 3.21Å; N255-A259 PolarHBondContact O-N 2.87Å; N255-A259 VanDerWaalsContact O-N 3.12Å; R256-A259 WeakPolarHBondContact O-CB 3.29Å; R256-A259 PolarHBondContact O-N 3.1Å; E257-A259 VanDerWaalsContact C-N 3.28Å; E257-A259 PolarHBondContact O-N 2.88Å; A259-A263 WeakPolarHBondContact O-CB 3.44Å; A259-A263 PolarHBondContact O-N 3.22Å
260	E	94.4	Very high	93.3	Very high	116 Å²	116	111.7 Å²	111.7	54%	0.542	52%	0.516	S	S	.	.	H	α-helix	trans	-66.5	-46.1	175.6	-71.3	170.6	-170.9	0	0	111.5	R256 E257 A263 A264	R256-E260 WeakPolarHBondContact CD-OE1 3.44Å; R256-E260 HydrophobicContact CG-CG 4.48Å; R256-E260 WeakPolarHBondContact CG-OE1 3.29Å; R256-E260 IonicContact NE-OE1 2.67Å; R256-E260 WeakPolarHBondContact O-CG 3.3Å; R256-E260 PolarHBondContact O-N 3.41Å; E257-E260 PolarHBondContact O-N 2.91Å; E260-A263 PolarHBondContact O-N 3.39Å; E260-A264 WeakPolarHBondContact O-CB 3.42Å; E260-A264 PolarHBondContact O-N 3.34Å
261	D	92.1	Very high	93.7	Very high	69 Å²	69	112.7 Å²	112.7	37%	0.369	52%	0.519	S	S	.	.	H	α-helix	trans	-60.2	-46	173.1	173.6	41.7	0	0	0	111.7	E257 A263 A264 R265	E257-D261 WeakPolarHBondContact O-CB 3.24Å; E257-D261 PolarHBondContact O-N 2.89Å; D261-A263 PolarHBondContact O-N 2.76Å; D261-A264 PolarHBondContact O-N 2.93Å; D261-R265 VanDerWaalsContact CG-NE 3.26Å; D261-R265 WeakPolarHBondContact O-CG 3.33Å; D261-R265 PolarHBondContact O-N 3.31Å; D261-R265 IonicContact OD1-CZ 2.61Å; D261-R265 IonicContact OD1-NE 3.12Å; D261-R265 PolarHBondContact OD1-NE 3.43Å; D261-R265 IonicContact OD1-NH2 2.69Å; D261-R265 PolarHBondContact OD1-NH2 2.92Å; D261-R265 IonicContact OD2-CZ 2.79Å; D261-R265 IonicContact OD2-NE 3.78Å; D261-R265 PolarHBondContact OD2-NE 3.26Å; D261-R265 VanDerWaalsContact OD2-NE 3.08Å; D261-R265 IonicContact OD2-NH2 3.05Å; D261-R265 PolarHBondContact OD2-NH2 2.93Å
262	R	93.4	Very high	93.8	Very high	159 Å²	159	112.9 Å²	112.9	60%	0.6	52%	0.52	S	S	*	.	H	α-helix	trans	-58.3	-48.4	173.8	-175.6	-175.5	-59.3	166.2	1.4	111.4	K258 A264 R265 E266	K258-R262 VanDerWaalsContact O-CB 3.22Å; K258-R262 WeakPolarHBondContact O-CB 3.38Å; K258-R262 PolarHBondContact O-N 2.84Å; R262-A264 VanDerWaalsContact C-N 3.28Å; R262-A264 PolarHBondContact O-N 2.86Å; R262-R265 PolarHBondContact O-N 3.05Å; R262-E266 WeakPolarHBondContact CD-OE1 3.46Å; R262-E266 HydrophobicContact CG-CG 4.35Å; R262-E266 WeakPolarHBondContact CG-OE1 3.37Å; R262-E266 WeakPolarHBondContact O-CB 3.29Å; R262-E266 WeakPolarHBondContact O-CG 3.2Å; R262-E266 PolarHBondContact O-N 3.43Å
263	A	95.3	Very high	94	Very high	29 Å²	29	109.8 Å²	109.8	24%	0.24	52%	0.515	C	S	.	.	H	α-helix	trans	-65.2	-29.5	178.9	0	0	0	0	0	112.8	A259 E260 D261 R267	A259-A263 WeakPolarHBondContact O-CB 3.44Å; A259-A263 PolarHBondContact O-N 3.22Å; E260-A263 PolarHBondContact O-N 3.39Å; D261-A263 PolarHBondContact O-N 2.76Å; A263-R267 VanDerWaalsContact O-CG 3.26Å; A263-R267 WeakPolarHBondContact O-CG 3.22Å; A263-R267 PolarHBondContact O-N 3.47Å; A263-R267 PolarHBondContact O-NH1 3.46Å
264	A	95.2	Very high	94.2	Very high	41 Å²	41	110.4 Å²	110.4	34%	0.339	52%	0.522	S	S	.	.	H	α-helix	trans	-69.8	-48.7	171.7	0	0	0	0	0	111.4	E260 D261 R262 E266 R267 I268	E260-A264 WeakPolarHBondContact O-CB 3.42Å; E260-A264 PolarHBondContact O-N 3.34Å; D261-A264 PolarHBondContact O-N 2.93Å; R262-A264 VanDerWaalsContact C-N 3.28Å; R262-A264 PolarHBondContact O-N 2.86Å; A264-E266 VanDerWaalsContact C-N 3.32Å; A264-E266 PolarHBondContact O-N 3.28Å; A264-R267 PolarHBondContact O-N 2.93Å; A264-I268 WeakPolarHBondContact O-CG1 3.34Å; A264-I268 PolarHBondContact O-N 2.8Å
265	R	93.9	Very high	94.6	Very high	163 Å²	163	106.3 Å²	106.3	62%	0.615	51%	0.512	S	S	*	.	H	α-helix	trans	-60.8	-38.8	176	-67.8	177.8	-162.1	-145.7	10.3	112.5	D261 R262 I268 K269	D261-R265 VanDerWaalsContact CG-NE 3.26Å; D261-R265 WeakPolarHBondContact O-CG 3.33Å; D261-R265 PolarHBondContact O-N 3.31Å; D261-R265 IonicContact OD1-CZ 2.61Å; D261-R265 IonicContact OD1-NE 3.12Å; D261-R265 PolarHBondContact OD1-NE 3.43Å; D261-R265 IonicContact OD1-NH2 2.69Å; D261-R265 PolarHBondContact OD1-NH2 2.92Å; D261-R265 IonicContact OD2-CZ 2.79Å; D261-R265 IonicContact OD2-NE 3.78Å; D261-R265 PolarHBondContact OD2-NE 3.26Å; D261-R265 VanDerWaalsContact OD2-NE 3.08Å; D261-R265 IonicContact OD2-NH2 3.05Å; D261-R265 PolarHBondContact OD2-NH2 2.93Å; R262-R265 PolarHBondContact O-N 3.05Å; R265-I268 PolarHBondContact O-N 3.36Å; R265-K269 VanDerWaalsContact O-CB 3.31Å; R265-K269 WeakPolarHBondContact O-CB 3.39Å; R265-K269 PolarHBondContact O-N 2.58Å
266	E	94.8	Very high	94.7	Very high	101 Å²	101	111.6 Å²	111.6	47%	0.472	53%	0.526	S	S	.	.	H	α-helix	trans	-65.5	-44.1	176.6	-77.2	172.4	-169.6	0	0	111.9	R262 A264 I268 K269 Q270	R262-E266 WeakPolarHBondContact CD-OE1 3.46Å; R262-E266 HydrophobicContact CG-CG 4.35Å; R262-E266 WeakPolarHBondContact CG-OE1 3.37Å; R262-E266 WeakPolarHBondContact O-CB 3.29Å; R262-E266 WeakPolarHBondContact O-CG 3.2Å; R262-E266 PolarHBondContact O-N 3.43Å; A264-E266 VanDerWaalsContact C-N 3.32Å; A264-E266 PolarHBondContact O-N 3.28Å; E266-I268 PolarHBondContact O-N 3.36Å; E266-K269 PolarHBondContact O-N 2.87Å; E266-Q270 WeakPolarHBondContact O-CB 3.41Å; E266-Q270 VanDerWaalsContact O-CG 3.28Å; E266-Q270 WeakPolarHBondContact O-CG 3.46Å; E266-Q270 PolarHBondContact O-N 3.24Å
267	R	96.3	Very high	94.7	Very high	167 Å²	167	107.4 Å²	107.4	63%	0.63	52%	0.522	S	S	*	.	H	α-helix	trans	-59.8	-44.6	172.8	-73	172.9	-173.2	116.6	-5.9	112	A263 A264 Q270 Q271	A263-R267 VanDerWaalsContact O-CG 3.26Å; A263-R267 WeakPolarHBondContact O-CG 3.22Å; A263-R267 PolarHBondContact O-N 3.47Å; A263-R267 PolarHBondContact O-NH1 3.46Å; A264-R267 PolarHBondContact O-N 2.93Å; R267-Q270 PolarHBondContact O-N 3.03Å; R267-Q271 WeakPolarHBondContact O-CB 3.39Å; R267-Q271 PolarHBondContact O-N 3.37Å
268	I	96.4	Very high	94.9	Very high	97 Å²	97	106 Å²	106	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-43.6	176.9	-67.2	166.1	0	0	0	110.7	A264 R265 E266 Q270 Q271 I272	A264-I268 WeakPolarHBondContact O-CG1 3.34Å; A264-I268 PolarHBondContact O-N 2.8Å; R265-I268 PolarHBondContact O-N 3.36Å; E266-I268 PolarHBondContact O-N 3.36Å; I268-Q270 VanDerWaalsContact C-N 3.34Å; I268-Q270 PolarHBondContact O-N 2.88Å; I268-Q271 PolarHBondContact O-N 2.67Å; I268-I272 HydrophobicContact CG2-CD1 3.74Å; I268-I272 HydrophobicContact CG2-CG1 4.42Å; I268-I272 VanDerWaalsContact O-CG1 3.31Å; I268-I272 WeakPolarHBondContact O-CG1 3.33Å; I268-I272 PolarHBondContact O-N 2.66Å
269	K	94.1	Very high	94.8	Very high	165 Å²	165	108.6 Å²	108.6	72%	0.717	52%	0.523	S	S	*	.	H	α-helix	trans	-61.6	-40.8	176.3	-173.3	175.9	179.6	179.9	0	111.7	R265 E266 A273	R265-K269 VanDerWaalsContact O-CB 3.31Å; R265-K269 WeakPolarHBondContact O-CB 3.39Å; R265-K269 PolarHBondContact O-N 2.58Å; E266-K269 PolarHBondContact O-N 2.87Å; K269-A273 WeakPolarHBondContact O-CB 3.21Å; K269-A273 PolarHBondContact O-N 2.84Å
270	Q	96.1	Very high	94.9	Very high	125 Å²	125	108.8 Å²	108.8	58%	0.584	52%	0.524	S	S	*	.	H	α-helix	trans	-64.4	-45.4	173.9	-72.8	170.7	5.8	0	0	111.7	E266 R267 I268 I272 A273 L274	E266-Q270 WeakPolarHBondContact O-CB 3.41Å; E266-Q270 VanDerWaalsContact O-CG 3.28Å; E266-Q270 WeakPolarHBondContact O-CG 3.46Å; E266-Q270 PolarHBondContact O-N 3.24Å; R267-Q270 PolarHBondContact O-N 3.03Å; I268-Q270 VanDerWaalsContact C-N 3.34Å; I268-Q270 PolarHBondContact O-N 2.88Å; Q270-I272 PolarHBondContact O-N 2.83Å; Q270-A273 WeakPolarHBondContact O-CB 3.37Å; Q270-A273 PolarHBondContact O-N 3.17Å; Q270-L274 WeakPolarHBondContact O-CG 3.43Å; Q270-L274 PolarHBondContact O-N 2.88Å
271	Q	94.8	Very high	94.9	Very high	141 Å²	141	106.2 Å²	106.2	66%	0.659	52%	0.523	S	S	*	.	H	α-helix	trans	-62.6	-41.9	178	-171.8	175.9	-0.6	0	0	112.2	R267 I268 L274 D275	R267-Q271 WeakPolarHBondContact O-CB 3.39Å; R267-Q271 PolarHBondContact O-N 3.37Å; I268-Q271 PolarHBondContact O-N 2.67Å; Q271-L274 PolarHBondContact O-N 3.2Å; Q271-D275 PolarHBondContact O-N 3.2Å
272	I	93.8	Very high	95	Very high	104 Å²	104	110.8 Å²	110.8	53%	0.533	54%	0.535	S	S	.	.	H	α-helix	trans	-65.5	-39.3	174.2	-68	168.2	0	0	0	111.2	I268 Q270 R276	I268-I272 HydrophobicContact CG2-CD1 3.74Å; I268-I272 HydrophobicContact CG2-CG1 4.42Å; I268-I272 VanDerWaalsContact O-CG1 3.31Å; I268-I272 WeakPolarHBondContact O-CG1 3.33Å; I268-I272 PolarHBondContact O-N 2.66Å; Q270-I272 PolarHBondContact O-N 2.83Å; I272-R276 WeakPolarHBondContact O-CB 3.48Å; I272-R276 PolarHBondContact O-N 3.16Å
273	A	95.9	Very high	95	Very high	57 Å²	57	110.5 Å²	110.5	47%	0.471	54%	0.538	S	S	.	.	H	α-helix	trans	-63.8	-40.4	175.7	0	0	0	0	0	111.9	K269 Q270 A277	K269-A273 WeakPolarHBondContact O-CB 3.21Å; K269-A273 PolarHBondContact O-N 2.84Å; Q270-A273 WeakPolarHBondContact O-CB 3.37Å; Q270-A273 PolarHBondContact O-N 3.17Å; A273-A277 VanDerWaalsContact O-CB 3.24Å; A273-A277 WeakPolarHBondContact O-CB 3.49Å; A273-A277 PolarHBondContact O-N 2.88Å
274	L	95.9	Very high	95	Very high	126 Å²	126	111.8 Å²	111.8	66%	0.66	55%	0.549	S	S	*	.	H	α-helix	trans	-67.4	-47.8	176.3	-70.1	171.9	0	0	0	112.3	Q270 Q271 R276 A277 E278	Q270-L274 WeakPolarHBondContact O-CG 3.43Å; Q270-L274 PolarHBondContact O-N 2.88Å; Q271-L274 PolarHBondContact O-N 3.2Å; L274-R276 VanDerWaalsContact C-N 3.32Å; L274-R276 PolarHBondContact O-N 3.41Å; L274-A277 PolarHBondContact O-N 3.01Å; L274-E278 WeakPolarHBondContact O-CB 3.19Å; L274-E278 PolarHBondContact O-N 3.08Å
275	D	95.8	Very high	94.9	Very high	72 Å²	72	115.6 Å²	115.6	39%	0.385	56%	0.558	S	S	.	*	H	α-helix	trans	-59.8	-41.4	175.1	171.4	72.2	0	0	0	111.9	Q271 E278 R279	Q271-D275 PolarHBondContact O-N 3.2Å; D275-E278 PolarHBondContact O-N 3.17Å; D275-R279 VanDerWaalsContact O-CB 3.27Å; D275-R279 WeakPolarHBondContact O-CB 3.28Å; D275-R279 PolarHBondContact O-N 2.7Å; D275-R279 IonicContact OD1-CZ 3.79Å; D275-R279 IonicContact OD1-NH1 2.71Å; D275-R279 IonicContact OD1-NH2 2.67Å; D275-R279 PolarHBondContact OD1-NH2 2.61Å; D275-R279 IonicContact OD2-CZ 3.83Å; D275-R279 VanDerWaalsContact OD2-CZ 3.25Å; D275-R279 IonicContact OD2-NH1 3.64Å; D275-R279 PolarHBondContact OD2-NH1 2.9Å; D275-R279 IonicContact OD2-NH2 2.7Å; D275-R279 PolarHBondContact OD2-NH2 3.48Å
276	R	95.8	Very high	94.9	Very high	190 Å²	190	111.6 Å²	111.6	72%	0.717	55%	0.551	S	S	*	*	H	α-helix	trans	-66.6	-40	176.3	-171.9	172.6	-177.6	168.4	-0.3	112.1	I272 L274 A280	I272-R276 WeakPolarHBondContact O-CB 3.48Å; I272-R276 PolarHBondContact O-N 3.16Å; L274-R276 VanDerWaalsContact C-N 3.32Å; L274-R276 PolarHBondContact O-N 3.41Å; R276-A280 VanDerWaalsContact O-CB 3.29Å; R276-A280 WeakPolarHBondContact O-CB 3.48Å; R276-A280 PolarHBondContact O-N 2.93Å
277	A	94.7	Very high	94.9	Very high	57 Å²	57	112 Å²	112	47%	0.471	55%	0.552	S	S	.	*	H	α-helix	trans	-67.4	-43.6	175.7	0	0	0	0	0	111.8	A273 L274 A280 A281	A273-A277 VanDerWaalsContact O-CB 3.24Å; A273-A277 WeakPolarHBondContact O-CB 3.49Å; A273-A277 PolarHBondContact O-N 2.88Å; L274-A277 PolarHBondContact O-N 3.01Å; A277-A280 PolarHBondContact O-N 3.44Å; A277-A281 WeakPolarHBondContact O-CB 3.5Å; A277-A281 PolarHBondContact O-N 3.42Å
278	E	94.4	Very high	94.8	Very high	98 Å²	98	110.7 Å²	110.7	46%	0.458	55%	0.553	S	S	.	*	H	α-helix	trans	-64.5	-45.4	177	-165	-167.6	156.9	0	0	111.2	L274 D275 A280 A281 R282	L274-E278 WeakPolarHBondContact O-CB 3.19Å; L274-E278 PolarHBondContact O-N 3.08Å; D275-E278 PolarHBondContact O-N 3.17Å; E278-A280 VanDerWaalsContact C-N 3.31Å; E278-A280 PolarHBondContact O-N 2.93Å; E278-A281 PolarHBondContact O-N 3.25Å; E278-R282 HydrophobicContact CG-CG 4.47Å; E278-R282 WeakPolarHBondContact O-CB 3.34Å; E278-R282 WeakPolarHBondContact O-CG 3.2Å; E278-R282 PolarHBondContact O-N 3.36Å; E278-R282 IonicContact OE1-CZ 2.68Å; E278-R282 IonicContact OE1-NE 2.64Å; E278-R282 PolarHBondContact OE1-NE 2.65Å; E278-R282 IonicContact OE1-NH2 3.78Å; E278-R282 PolarHBondContact OE1-NH2 3.42Å
279	R	93.9	Very high	94.6	Very high	149 Å²	149	110.6 Å²	110.6	56%	0.562	55%	0.55	S	S	*	*	H	α-helix	trans	-61.4	-40.1	176.6	-171.5	174.1	-63.8	106.4	15.1	111.7	D275 F283	D275-R279 VanDerWaalsContact O-CB 3.27Å; D275-R279 WeakPolarHBondContact O-CB 3.28Å; D275-R279 PolarHBondContact O-N 2.7Å; D275-R279 IonicContact OD1-CZ 3.79Å; D275-R279 IonicContact OD1-NH1 2.71Å; D275-R279 IonicContact OD1-NH2 2.67Å; D275-R279 PolarHBondContact OD1-NH2 2.61Å; D275-R279 IonicContact OD2-CZ 3.83Å; D275-R279 VanDerWaalsContact OD2-CZ 3.25Å; D275-R279 IonicContact OD2-NH1 3.64Å; D275-R279 PolarHBondContact OD2-NH1 2.9Å; D275-R279 IonicContact OD2-NH2 2.7Å; D275-R279 PolarHBondContact OD2-NH2 3.48Å; R279-F283 WeakPolarHBondContact O-CB 3.46Å; R279-F283 PolarHBondContact O-N 3.02Å
280	A	95	Very high	94.6	Very high	59 Å²	59	105.9 Å²	105.9	49%	0.488	54%	0.535	S	S	.	.	H	α-helix	trans	-65.8	-44.8	174.6	0	0	0	0	0	112.2	R276 A277 E278 F283 A284	R276-A280 VanDerWaalsContact O-CB 3.29Å; R276-A280 WeakPolarHBondContact O-CB 3.48Å; R276-A280 PolarHBondContact O-N 2.93Å; A277-A280 PolarHBondContact O-N 3.44Å; E278-A280 VanDerWaalsContact C-N 3.31Å; E278-A280 PolarHBondContact O-N 2.93Å; A280-F283 PolarHBondContact O-N 3.25Å; A280-A284 WeakPolarHBondContact O-CB 3.36Å; A280-A284 PolarHBondContact O-N 3.41Å
281	A	95.3	Very high	94.5	Very high	62 Å²	62	104.8 Å²	104.8	51%	0.512	53%	0.53	S	S	.	.	H	α-helix	trans	-65	-42.7	178.5	0	0	0	0	0	112.4	A277 E278 A284 K285	A277-A281 WeakPolarHBondContact O-CB 3.5Å; A277-A281 PolarHBondContact O-N 3.42Å; E278-A281 PolarHBondContact O-N 3.25Å; A281-A284 PolarHBondContact O-N 2.83Å; A281-K285 WeakPolarHBondContact O-CB 3.33Å; A281-K285 PolarHBondContact O-N 2.9Å
282	R	93.4	Very high	94.4	Very high	164 Å²	164	100.9 Å²	100.9	62%	0.619	52%	0.521	S	S	*	.	H	α-helix	trans	-59.5	-48.8	172.6	-74.4	-178.8	-178.3	-124.3	8.8	111.1	E278 A284 K285 T286	E278-R282 HydrophobicContact CG-CG 4.47Å; E278-R282 WeakPolarHBondContact O-CB 3.34Å; E278-R282 WeakPolarHBondContact O-CG 3.2Å; E278-R282 PolarHBondContact O-N 3.36Å; E278-R282 IonicContact OE1-CZ 2.68Å; E278-R282 IonicContact OE1-NE 2.64Å; E278-R282 PolarHBondContact OE1-NE 2.65Å; E278-R282 IonicContact OE1-NH2 3.78Å; E278-R282 PolarHBondContact OE1-NH2 3.42Å; R282-A284 PolarHBondContact O-N 2.86Å; R282-K285 PolarHBondContact O-N 3.02Å; R282-T286 PolarHBondContact O-N 3.06Å; R282-T286 PolarHBondContact O-OG1 3.49Å; R282-T286 VanDerWaalsContact O-OG1 3.13Å
283	F	94.6	Very high	94.5	Very high	153 Å²	153	98.8 Å²	98.8	67%	0.671	52%	0.52	S	S	*	.	H	α-helix	trans	-62.9	-41.5	179.1	-176.4	-97.1	0	0	0	112.5	R279 A280 K287	R279-F283 WeakPolarHBondContact O-CB 3.46Å; R279-F283 PolarHBondContact O-N 3.02Å; A280-F283 PolarHBondContact O-N 3.25Å; F283-K287 VanDerWaalsContact O-CB 3.32Å; F283-K287 WeakPolarHBondContact O-CB 3.46Å; F283-K287 PolarHBondContact O-N 2.82Å
284	A	94.9	Very high	94.4	Very high	56 Å²	56	102.1 Å²	102.1	46%	0.463	52%	0.524	S	S	.	.	H	α-helix	trans	-60.6	-47.8	174.7	0	0	0	0	0	111.6	A280 A281 R282 K287 E288	A280-A284 WeakPolarHBondContact O-CB 3.36Å; A280-A284 PolarHBondContact O-N 3.41Å; A281-A284 PolarHBondContact O-N 2.83Å; R282-A284 PolarHBondContact O-N 2.86Å; A284-K287 WeakPolarHBondContact O-CB 3.31Å; A284-K287 PolarHBondContact O-N 3.36Å; A284-E288 WeakPolarHBondContact O-CB 3.22Å; A284-E288 PolarHBondContact O-N 3.01Å
285	K	93.9	Very high	94.3	Very high	122 Å²	122	98.4 Å²	98.4	53%	0.53	51%	0.511	S	S	.	.	H	α-helix	trans	-62.2	-45.8	178.2	-172.8	172.1	-173.1	-71.8	0	112.4	A281 R282 K287 E288 E289	A281-K285 WeakPolarHBondContact O-CB 3.33Å; A281-K285 PolarHBondContact O-N 2.9Å; R282-K285 PolarHBondContact O-N 3.02Å; K285-K287 VanDerWaalsContact C-N 3.31Å; K285-K287 PolarHBondContact O-N 3.03Å; K285-E288 PolarHBondContact O-N 2.9Å; K285-E289 IonicContact NZ-OE1 3.01Å; K285-E289 PolarHBondContact NZ-OE1 3.13Å; K285-E289 WeakPolarHBondContact O-CB 3.27Å; K285-E289 VanDerWaalsContact O-CG 3.27Å; K285-E289 WeakPolarHBondContact O-CG 3.33Å; K285-E289 PolarHBondContact O-N 3.2Å
286	T	93.6	Very high	94.3	Very high	78 Å²	78	97.7 Å²	97.7	48%	0.479	52%	0.516	S	S	.	.	H	α-helix	trans	-65.8	-34.1	176.4	-55.8	0	0	0	0	112	R282 V290	R282-T286 PolarHBondContact O-N 3.06Å; R282-T286 PolarHBondContact O-OG1 3.49Å; R282-T286 VanDerWaalsContact O-OG1 3.13Å; T286-V290 WeakPolarHBondContact O-CB 3.41Å; T286-V290 VanDerWaalsContact O-CG2 3.25Å; T286-V290 WeakPolarHBondContact O-CG2 3.26Å; T286-V290 PolarHBondContact O-N 2.92Å
287	K	94.9	Very high	94.2	Very high	110 Å²	110	91.2 Å²	91.2	48%	0.478	50%	0.502	S	S	.	.	H	α-helix	trans	-64.7	-47.4	172.6	-176.2	-170.4	166.6	-167.7	0	111.2	F283 A284 K285 V290 E291	F283-K287 VanDerWaalsContact O-CB 3.32Å; F283-K287 WeakPolarHBondContact O-CB 3.46Å; F283-K287 PolarHBondContact O-N 2.82Å; A284-K287 WeakPolarHBondContact O-CB 3.31Å; A284-K287 PolarHBondContact O-N 3.36Å; K285-K287 VanDerWaalsContact C-N 3.31Å; K285-K287 PolarHBondContact O-N 3.03Å; K287-V290 PolarHBondContact O-N 2.91Å; K287-E291 VanDerWaalsContact CE-CD 3.41Å; K287-E291 WeakPolarHBondContact CE-OE1 3.46Å; K287-E291 WeakPolarHBondContact CE-OE2 3.29Å; K287-E291 IonicContact NZ-OE1 2.73Å; K287-E291 WeakPolarHBondContact O-CG 3.45Å; K287-E291 PolarHBondContact O-N 3.26Å
288	E	92.6	Very high	94.1	Very high	139 Å²	139	93.8 Å²	93.8	65%	0.65	51%	0.508	S	S	*	.	H	α-helix	trans	-61.2	-44.7	177.7	-174.1	177.5	-174.2	0	0	111.6	A284 K285 V290 E291 A292	A284-E288 WeakPolarHBondContact O-CB 3.22Å; A284-E288 PolarHBondContact O-N 3.01Å; K285-E288 PolarHBondContact O-N 2.9Å; E288-V290 VanDerWaalsContact C-N 3.33Å; E288-V290 PolarHBondContact O-N 2.82Å; E288-E291 PolarHBondContact O-N 3.46Å; E288-A292 VanDerWaalsContact O-CB 3.28Å; E288-A292 WeakPolarHBondContact O-CB 3.35Å; E288-A292 PolarHBondContact O-N 3.44Å
289	E	92.9	Very high	94.1	Very high	96 Å²	96	94.5 Å²	94.5	45%	0.449	51%	0.514	S	S	.	.	H	α-helix	trans	-58.6	-42.1	173.8	-74.3	167.6	169	0	0	112.2	K285 A293	K285-E289 IonicContact NZ-OE1 3.01Å; K285-E289 PolarHBondContact NZ-OE1 3.13Å; K285-E289 WeakPolarHBondContact O-CB 3.27Å; K285-E289 VanDerWaalsContact O-CG 3.27Å; K285-E289 WeakPolarHBondContact O-CG 3.33Å; K285-E289 PolarHBondContact O-N 3.2Å; E289-A293 WeakPolarHBondContact O-CB 3.31Å; E289-A293 PolarHBondContact O-N 2.86Å
290	V	94.3	Very high	94.1	Very high	66 Å²	66	90.2 Å²	90.2	40%	0.4	51%	0.51	S	S	.	.	H	α-helix	trans	-70.6	-35.3	177.2	166.6	0	0	0	0	112.3	T286 K287 E288 K294	T286-V290 WeakPolarHBondContact O-CB 3.41Å; T286-V290 VanDerWaalsContact O-CG2 3.25Å; T286-V290 WeakPolarHBondContact O-CG2 3.26Å; T286-V290 PolarHBondContact O-N 2.92Å; K287-V290 PolarHBondContact O-N 2.91Å; E288-V290 VanDerWaalsContact C-N 3.33Å; E288-V290 PolarHBondContact O-N 2.82Å; V290-K294 HydrophobicContact CG1-CD 4.18Å; V290-K294 WeakPolarHBondContact O-CB 3.35Å; V290-K294 WeakPolarHBondContact O-CD 3.44Å; V290-K294 WeakPolarHBondContact O-CG 3.17Å; V290-K294 PolarHBondContact O-N 3.22Å; V290-K294 VanDerWaalsContact O-N 3.07Å
291	E	93.3	Very high	94.1	Very high	102 Å²	102	93.8 Å²	93.8	48%	0.477	52%	0.515	S	S	.	.	H	α-helix	trans	-73.3	-40.2	176.2	-74.5	177.4	175	0	0	111.4	K287 E288 K294 A295	K287-E291 VanDerWaalsContact CE-CD 3.41Å; K287-E291 WeakPolarHBondContact CE-OE1 3.46Å; K287-E291 WeakPolarHBondContact CE-OE2 3.29Å; K287-E291 IonicContact NZ-OE1 2.73Å; K287-E291 WeakPolarHBondContact O-CG 3.45Å; K287-E291 PolarHBondContact O-N 3.26Å; E288-E291 PolarHBondContact O-N 3.46Å; E291-K294 PolarHBondContact O-N 2.69Å; E291-A295 WeakPolarHBondContact O-CB 3.32Å; E291-A295 PolarHBondContact O-N 3.14Å
292	A	94.2	Very high	94	Very high	58 Å²	58	96.3 Å²	96.3	48%	0.479	52%	0.516	S	S	.	.	H	α-helix	trans	-63.4	-44	171.8	0	0	0	0	0	112.2	E288 K294 A295 A296	E288-A292 VanDerWaalsContact O-CB 3.28Å; E288-A292 WeakPolarHBondContact O-CB 3.35Å; E288-A292 PolarHBondContact O-N 3.44Å; A292-K294 VanDerWaalsContact C-N 3.33Å; A292-K294 PolarHBondContact O-N 3.26Å; A292-A295 PolarHBondContact O-N 3.29Å; A292-A296 WeakPolarHBondContact O-CB 3.44Å; A292-A296 PolarHBondContact O-N 3.09Å
293	A	94.6	Very high	94	Very high	60 Å²	60	90.9 Å²	90.9	50%	0.496	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-38.8	175.6	0	0	0	0	0	112.2	E289 A297	E289-A293 WeakPolarHBondContact O-CB 3.31Å; E289-A293 PolarHBondContact O-N 2.86Å; A293-A297 VanDerWaalsContact O-CB 3.3Å; A293-A297 WeakPolarHBondContact O-CB 3.48Å; A293-A297 PolarHBondContact O-N 3.33Å
294	K	94.8	Very high	93.9	Very high	127 Å²	127	89.7 Å²	89.7	55%	0.552	50%	0.503	S	S	*	.	H	α-helix	trans	-65	-43.5	172.9	-75.3	165.9	-176.3	171.1	0	111.9	V290 E291 A292 A297 L298	V290-K294 HydrophobicContact CG1-CD 4.18Å; V290-K294 WeakPolarHBondContact O-CB 3.35Å; V290-K294 WeakPolarHBondContact O-CD 3.44Å; V290-K294 WeakPolarHBondContact O-CG 3.17Å; V290-K294 PolarHBondContact O-N 3.22Å; V290-K294 VanDerWaalsContact O-N 3.07Å; E291-K294 PolarHBondContact O-N 2.69Å; A292-K294 VanDerWaalsContact C-N 3.33Å; A292-K294 PolarHBondContact O-N 3.26Å; K294-A297 PolarHBondContact O-N 3.47Å; K294-L298 WeakPolarHBondContact O-CG 3.36Å; K294-L298 PolarHBondContact O-N 3.28Å
295	A	94.3	Very high	93.7	Very high	48 Å²	48	93 Å²	93	40%	0.397	51%	0.51	S	S	.	.	H	α-helix	trans	-62.3	-46	176.7	0	0	0	0	0	111.7	E291 A292 A297 L298 L299	E291-A295 WeakPolarHBondContact O-CB 3.32Å; E291-A295 PolarHBondContact O-N 3.14Å; A292-A295 PolarHBondContact O-N 3.29Å; A295-A297 PolarHBondContact O-N 3.39Å; A295-L298 PolarHBondContact O-N 2.79Å; A295-L299 WeakPolarHBondContact O-CG 3.43Å; A295-L299 PolarHBondContact O-N 2.81Å
296	A	94.1	Very high	93.6	Very high	58 Å²	58	93 Å²	93	48%	0.479	51%	0.512	S	S	.	.	H	α-helix	trans	-60.7	-42.7	175.2	0	0	0	0	0	112.2	A292 L298 L299 A300	A292-A296 WeakPolarHBondContact O-CB 3.44Å; A292-A296 PolarHBondContact O-N 3.09Å; A296-L298 VanDerWaalsContact C-N 3.33Å; A296-L298 PolarHBondContact O-N 3.33Å; A296-L299 PolarHBondContact O-N 3.15Å; A296-A300 WeakPolarHBondContact O-CB 3.33Å; A296-A300 PolarHBondContact O-N 3.02Å
297	A	94	Very high	93.6	Very high	53 Å²	53	93.7 Å²	93.7	44%	0.438	52%	0.516	S	S	.	.	H	α-helix	trans	-66.3	-31.4	176.7	0	0	0	0	0	113.4	A293 K294 A295 K301	A293-A297 VanDerWaalsContact O-CB 3.3Å; A293-A297 WeakPolarHBondContact O-CB 3.48Å; A293-A297 PolarHBondContact O-N 3.33Å; K294-A297 PolarHBondContact O-N 3.47Å; A295-A297 PolarHBondContact O-N 3.39Å; A297-K301 WeakPolarHBondContact O-CG 3.42Å; A297-K301 PolarHBondContact O-N 3.11Å
298	L	93.8	Very high	93.4	Very high	111 Å²	111	93.7 Å²	93.7	58%	0.581	52%	0.516	S	S	*	.	H	α-helix	trans	-70.6	-44.6	173	-73.3	170.5	0	0	0	111.6	K294 A295 A296 K301 Q302	K294-L298 WeakPolarHBondContact O-CG 3.36Å; K294-L298 PolarHBondContact O-N 3.28Å; A295-L298 PolarHBondContact O-N 2.79Å; A296-L298 VanDerWaalsContact C-N 3.33Å; A296-L298 PolarHBondContact O-N 3.33Å; L298-K301 PolarHBondContact O-N 3.02Å; L298-Q302 WeakPolarHBondContact O-CG 3.2Å; L298-Q302 PolarHBondContact O-N 2.82Å
299	L	94.8	Very high	93.2	Very high	113 Å²	113	96.3 Å²	96.3	59%	0.592	52%	0.52	S	S	*	.	H	α-helix	trans	-63.4	-42.6	176.1	-69.8	171.5	0	0	0	111.8	A295 A296 K301 Q302 A303	A295-L299 WeakPolarHBondContact O-CG 3.43Å; A295-L299 PolarHBondContact O-N 2.81Å; A296-L299 PolarHBondContact O-N 3.15Å; L299-K301 VanDerWaalsContact C-N 3.35Å; L299-K301 PolarHBondContact O-N 2.74Å; L299-Q302 PolarHBondContact O-N 3.49Å; L299-A303 PolarHBondContact O-N 3.43Å
300	A	94	Very high	93	Very high	59 Å²	59	97.9 Å²	97.9	49%	0.488	53%	0.528	S	S	.	.	H	α-helix	trans	-59.3	-43.7	175.2	0	0	0	0	0	112.1	A296 Q302 A303 E304	A296-A300 WeakPolarHBondContact O-CB 3.33Å; A296-A300 PolarHBondContact O-N 3.02Å; A300-Q302 PolarHBondContact O-N 3.07Å; A300-A303 PolarHBondContact O-N 3.18Å; A300-E304 WeakPolarHBondContact O-CB 3.48Å; A300-E304 PolarHBondContact O-N 2.88Å
301	K	94.4	Very high	92.6	Very high	134 Å²	134	97 Å²	97	58%	0.583	53%	0.525	S	S	*	.	H	α-helix	trans	-66.5	-33.9	175.2	-77	-177.4	175.7	-172.8	0	113.3	A297 L298 L299 M305	A297-K301 WeakPolarHBondContact O-CG 3.42Å; A297-K301 PolarHBondContact O-N 3.11Å; L298-K301 PolarHBondContact O-N 3.02Å; L299-K301 VanDerWaalsContact C-N 3.35Å; L299-K301 PolarHBondContact O-N 2.74Å; K301-M305 WeakPolarHBondContact O-CB 3.33Å; K301-M305 WeakPolarHBondContact O-CG 3.18Å; K301-M305 PolarHBondContact O-N 2.94Å
302	Q	92.4	Very high	92.2	Very high	115 Å²	115	97.5 Å²	97.5	54%	0.537	52%	0.523	S	S	.	.	H	α-helix	trans	-66.2	-46.9	174	-74.7	175	-8.7	0	0	110.9	L298 L299 A300 E304 M305 E306	L298-Q302 WeakPolarHBondContact O-CG 3.2Å; L298-Q302 PolarHBondContact O-N 2.82Å; L299-Q302 PolarHBondContact O-N 3.49Å; A300-Q302 PolarHBondContact O-N 3.07Å; Q302-E304 PolarHBondContact O-N 2.76Å; Q302-M305 PolarHBondContact O-N 3.47Å; Q302-E306 WeakPolarHBondContact O-CB 3.33Å; Q302-E306 PolarHBondContact O-N 3.2Å
303	A	93.2	Very high	91.7	Very high	51 Å²	51	97.5 Å²	97.5	42%	0.421	52%	0.523	S	S	.	.	H	α-helix	trans	-61.5	-41.7	175.7	0	0	0	0	0	112.6	L299 A300 E306 V307	L299-A303 PolarHBondContact O-N 3.43Å; A300-A303 PolarHBondContact O-N 3.18Å; A303-E306 PolarHBondContact O-N 2.91Å; A303-V307 WeakPolarHBondContact O-CG2 3.48Å; A303-V307 PolarHBondContact O-N 3.36Å
304	E	92.1	Very high	91.1	Very high	127 Å²	127	103.9 Å²	103.9	59%	0.593	53%	0.534	S	S	*	.	H	α-helix	trans	-61.5	-44.2	175.3	-167.9	-163.7	152.5	0	0	111.8	A300 Q302 E306 K308	A300-E304 WeakPolarHBondContact O-CB 3.48Å; A300-E304 PolarHBondContact O-N 2.88Å; Q302-E304 PolarHBondContact O-N 2.76Å; E304-E306 VanDerWaalsContact C-N 3.33Å; E304-E306 PolarHBondContact O-N 3.41Å; E304-K308 WeakPolarHBondContact O-CB 3.15Å; E304-K308 PolarHBondContact O-N 2.75Å
305	M	91.6	Very high	90.5	Very high	126 Å²	126	103.1 Å²	103.1	62%	0.621	53%	0.533	S	S	*	.	H	α-helix	trans	-66.2	-33.6	175.9	-74.1	-171.1	-62.4	0	0	112.8	K301 Q302 R309	K301-M305 WeakPolarHBondContact O-CB 3.33Å; K301-M305 WeakPolarHBondContact O-CG 3.18Å; K301-M305 PolarHBondContact O-N 2.94Å; Q302-M305 PolarHBondContact O-N 3.47Å; M305-R309 VanDerWaalsContact O-CB 3.28Å; M305-R309 WeakPolarHBondContact O-CB 3.44Å; M305-R309 PolarHBondContact O-N 3.45Å
306	E	92.1	Very high	89.9	Confident	121 Å²	121	109.1 Å²	109.1	57%	0.565	55%	0.545	S	S	*	.	H	α-helix	trans	-70.4	-51.2	176.8	-170.8	149	-122.3	0	0	111.2	Q302 A303 E304 K308 R309 E310	Q302-E306 WeakPolarHBondContact O-CB 3.33Å; Q302-E306 PolarHBondContact O-N 3.2Å; A303-E306 PolarHBondContact O-N 2.91Å; E304-E306 VanDerWaalsContact C-N 3.33Å; E304-E306 PolarHBondContact O-N 3.41Å; E306-K308 VanDerWaalsContact C-N 3.27Å; E306-K308 PolarHBondContact O-N 3.23Å; E306-R309 CarbonylContact O-C 3.58Å; E306-R309 WeakPolarHBondContact O-CA 3.43Å; E306-R309 WeakPolarHBondContact O-CB 3.25Å; E306-R309 PolarHBondContact O-N 2.94Å; E306-E310 WeakPolarHBondContact O-CG 3.47Å; E306-E310 PolarHBondContact O-N 2.68Å
307	V	92.3	Very high	89.3	Confident	94 Å²	94	108.3 Å²	108.3	57%	0.57	54%	0.536	S	S	*	.	H	α-helix	trans	-56.8	-40.5	174.3	171.3	0	0	0	0	111.6	A303 E310 S311	A303-V307 WeakPolarHBondContact O-CG2 3.48Å; A303-V307 PolarHBondContact O-N 3.36Å; V307-E310 PolarHBondContact O-N 2.98Å; V307-S311 PolarHBondContact O-N 2.67Å
308	K	91.3	Very high	89	Confident	109 Å²	109	109.3 Å²	109.3	47%	0.474	54%	0.537	S	S	.	.	H	α-helix	trans	-69.6	-30.6	175.8	-173.8	165.5	-176.2	167.8	0	113.1	E304 E306 S311 Y312	E304-K308 WeakPolarHBondContact O-CB 3.15Å; E304-K308 PolarHBondContact O-N 2.75Å; E306-K308 VanDerWaalsContact C-N 3.27Å; E306-K308 PolarHBondContact O-N 3.23Å; K308-S311 PolarHBondContact O-OG 2.96Å; K308-S311 VanDerWaalsContact O-OG 3.12Å; K308-Y312 HydrophobicContact CD-CE2 4.46Å; K308-Y312 HydrophobicContact CG-CD2 4.11Å; K308-Y312 HydrophobicContact CG-CE2 3.83Å; K308-Y312 WeakPolarHBondContact O-CD2 3.24Å; K308-Y312 PolarHBondContact O-N 2.72Å
309	R	89.8	Confident	88.9	Confident	195 Å²	195	106.7 Å²	106.7	74%	0.736	53%	0.525	S	S	*	.	H	α-helix	trans	-71.5	-40	172.4	-177.1	-178.1	-179.3	-174	-0.2	111.1	M305 E306 A313	M305-R309 VanDerWaalsContact O-CB 3.28Å; M305-R309 WeakPolarHBondContact O-CB 3.44Å; M305-R309 PolarHBondContact O-N 3.45Å; E306-R309 CarbonylContact O-C 3.58Å; E306-R309 WeakPolarHBondContact O-CA 3.43Å; E306-R309 WeakPolarHBondContact O-CB 3.25Å; E306-R309 PolarHBondContact O-N 2.94Å; R309-A313 WeakPolarHBondContact O-CB 3.48Å; R309-A313 PolarHBondContact O-N 2.95Å
310	E	88.6	Confident	88.9	Confident	129 Å²	129	101.3 Å²	101.3	60%	0.603	50%	0.497	S	S	*	.	H	α-helix	trans	-65.1	-42.1	174.2	-70.3	-172	154.9	0	0	111.9	E306 V307 A313 R314	E306-E310 WeakPolarHBondContact O-CG 3.47Å; E306-E310 PolarHBondContact O-N 2.68Å; V307-E310 PolarHBondContact O-N 2.98Å; E310-A313 PolarHBondContact O-N 2.68Å; E310-R314 WeakPolarHBondContact O-CB 3.41Å; E310-R314 PolarHBondContact O-N 3.3Å
311	S	85.5	Confident	88.9	Confident	48 Å²	48	105.4 Å²	105.4	34%	0.336	50%	0.499	S	S	.	.	H	α-helix	trans	-62.2	-47.6	176.1	78.4	0	0	0	0	111.3	V307 K308 A313 R314 E315	V307-S311 PolarHBondContact O-N 2.67Å; K308-S311 PolarHBondContact O-OG 2.96Å; K308-S311 VanDerWaalsContact O-OG 3.12Å; S311-A313 VanDerWaalsContact C-N 3.3Å; S311-A313 PolarHBondContact O-N 3.14Å; S311-R314 PolarHBondContact O-N 3.21Å; S311-R314 VanDerWaalsContact O-N 3.16Å; S311-E315 WeakPolarHBondContact O-CB 3.23Å; S311-E315 WeakPolarHBondContact O-CG 3.09Å; S311-E315 PolarHBondContact O-N 2.88Å
312	Y	84.6	Confident	88.9	Confident	112 Å²	112	99 Å²	99	44%	0.439	47%	0.472	S	S	.	.	H	α-helix	trans	-64.5	-30.3	174.5	-77.1	-50.2	0	0	0	113.8	K308 E315 R316	K308-Y312 HydrophobicContact CD-CE2 4.46Å; K308-Y312 HydrophobicContact CG-CD2 4.11Å; K308-Y312 HydrophobicContact CG-CE2 3.83Å; K308-Y312 WeakPolarHBondContact O-CD2 3.24Å; K308-Y312 PolarHBondContact O-N 2.72Å; Y312-E315 WeakPolarHBondContact CD1-OE2 3.43Å; Y312-R316 WeakPolarHBondContact O-CB 3.46Å; Y312-R316 VanDerWaalsContact O-CG 3.27Å; Y312-R316 WeakPolarHBondContact O-CG 3.36Å; Y312-R316 PolarHBondContact O-N 3Å; Y312-R316 VanDerWaalsContact O-N 3.1Å
313	A	82.9	Confident	89.1	Confident	58 Å²	58	96 Å²	96	48%	0.479	46%	0.458	S	S	.	.	H	α-helix	trans	-69.4	-41.9	172.8	0	0	0	0	0	111	R309 E310 S311 R316 S317	R309-A313 WeakPolarHBondContact O-CB 3.48Å; R309-A313 PolarHBondContact O-N 2.95Å; E310-A313 PolarHBondContact O-N 2.68Å; S311-A313 VanDerWaalsContact C-N 3.3Å; S311-A313 PolarHBondContact O-N 3.14Å; A313-R316 PolarHBondContact O-N 3.31Å; A313-S317 PolarHBondContact O-N 3.32Å
314	R	82.8	Confident	89.2	Confident	194 Å²	194	93.7 Å²	93.7	73%	0.732	44%	0.438	S	S	*	.	H	α-helix	trans	-66.4	-45.7	177.4	-167	174	-176.2	174.3	0.8	111.8	E310 S311 R316 S317 T318	E310-R314 WeakPolarHBondContact O-CB 3.41Å; E310-R314 PolarHBondContact O-N 3.3Å; S311-R314 PolarHBondContact O-N 3.21Å; S311-R314 VanDerWaalsContact O-N 3.16Å; R314-R316 VanDerWaalsContact C-N 3.32Å; R314-R316 PolarHBondContact O-N 3.3Å; R314-S317 WeakPolarHBondContact CA-OG 3.43Å; R314-S317 WeakPolarHBondContact O-CA 3.36Å; R314-S317 WeakPolarHBondContact O-CB 3.49Å; R314-S317 PolarHBondContact O-N 3.48Å; R314-S317 PolarHBondContact O-OG 2.83Å; R314-T318 PolarHBondContact O-N 3.41Å; R314-T318 VanDerWaalsContact O-N 3.17Å
315	E	83.1	Confident	89.3	Confident	111 Å²	111	92.7 Å²	92.7	52%	0.519	43%	0.429	S	S	.	.	H	α-helix	trans	-59.1	-39.9	173.2	-73.8	165.6	-156.1	0	0	112.2	S311 Y312 S317 T318	S311-E315 WeakPolarHBondContact O-CB 3.23Å; S311-E315 WeakPolarHBondContact O-CG 3.09Å; S311-E315 PolarHBondContact O-N 2.88Å; Y312-E315 WeakPolarHBondContact CD1-OE2 3.43Å; E315-S317 VanDerWaalsContact C-N 3.3Å; E315-S317 PolarHBondContact O-N 2.9Å; E315-T318 PolarHBondContact O-N 3.45Å; E315-T318 PolarHBondContact O-OG1 3.29Å
316	R	80.4	Confident	89.4	Confident	173 Å²	173	87.7 Å²	87.7	65%	0.653	41%	0.405	S	S	*	.	H	α-helix	trans	-67.7	-31.2	172.6	-75.7	173.1	178.7	141.5	3	112.4	Y312 A313 R314 V319 P387	Y312-R316 WeakPolarHBondContact O-CB 3.46Å; Y312-R316 VanDerWaalsContact O-CG 3.27Å; Y312-R316 WeakPolarHBondContact O-CG 3.36Å; Y312-R316 PolarHBondContact O-N 3Å; Y312-R316 VanDerWaalsContact O-N 3.1Å; A313-R316 PolarHBondContact O-N 3.31Å; R314-R316 VanDerWaalsContact C-N 3.32Å; R314-R316 PolarHBondContact O-N 3.3Å; R316-V319 VanDerWaalsContact O-O 3.11Å; R316-P387 HydrophobicContact CB-CB 4.34Å; R316-P387 WeakPolarHBondContact O-CB 3.38Å
317	S	81.3	Confident	89.3	Confident	41 Å²	41	85.1 Å²	85.1	29%	0.287	40%	0.398	S	S	.	.	H	α-helix	trans	-75.3	-17.8	179	76.6	0	0	0	0	114.6	A313 R314 E315 V319 S338	A313-S317 PolarHBondContact O-N 3.32Å; R314-S317 WeakPolarHBondContact CA-OG 3.43Å; R314-S317 WeakPolarHBondContact O-CA 3.36Å; R314-S317 WeakPolarHBondContact O-CB 3.49Å; R314-S317 PolarHBondContact O-N 3.48Å; R314-S317 PolarHBondContact O-OG 2.83Å; E315-S317 VanDerWaalsContact C-N 3.3Å; E315-S317 PolarHBondContact O-N 2.9Å; S317-V319 VanDerWaalsContact C-N 3.3Å; S317-V319 PolarHBondContact O-N 3.26Å; S317-S338 WeakPolarHBondContact O-CB 3.47Å; S317-S338 PolarHBondContact O-OG 3.35Å
318	T	89.4	Confident	89.1	Confident	75 Å²	75	85 Å²	85	46%	0.46	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.3	178.6	57.4	0	0	0	0	113.9	R314 E315 S338	R314-T318 PolarHBondContact O-N 3.41Å; R314-T318 VanDerWaalsContact O-N 3.17Å; E315-T318 PolarHBondContact O-N 3.45Å; E315-T318 PolarHBondContact O-OG1 3.29Å; T318-S338 WeakPolarHBondContact CA-OG 3.41Å; T318-S338 WeakPolarHBondContact O-CB 3.34Å; T318-S338 PolarHBondContact O-N 3.31Å; T318-S338 PolarHBondContact O-OG 3.01Å
319	V	91.4	Very high	89	Confident	55 Å²	55	83.2 Å²	83.2	33%	0.333	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.9	177.4	-177.9	0	0	0	0	109.7	R316 S317 Q335 F336	R316-V319 VanDerWaalsContact O-O 3.11Å; S317-V319 VanDerWaalsContact C-N 3.3Å; S317-V319 PolarHBondContact O-N 3.26Å; V319-Q335 HydrophobicContact CG1-CB 3.88Å; V319-Q335 HydrophobicContact CG1-CG 4.26Å; V319-F336 CarbonylContact C-O 3.58Å
320	A	93.8	Very high	89.1	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	112.3	175.3	0	0	0	0	0	110.4	I322 F336 L380 A386	A320-I322 HydrophobicContact CB-CD1 4.19Å; A320-F336 PolarHBondContact N-O 3.25Å; A320-F336 PolarHBondContact O-N 3.36Å; A320-L380 HydrophobicContact CB-CB 3.93Å; A320-L380 HydrophobicContact CB-CD1 3.81Å; A320-L380 HydrophobicContact CB-CG 4.49Å; A320-A386 HydrophobicContact CB-CB 4.03Å
321	R	94.5	Very high	89.4	Confident	145 Å²	145	73.4 Å²	73.4	55%	0.547	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	104.3	175.2	-177.2	178.9	169.5	-139.3	-6.7	110.4	T333 Q335 P387 S388 A389	R321-T333 HydrophobicContact CG-CG2 3.61Å; R321-Q335 HydrophobicContact CB-CG 4.39Å; R321-Q335 HydrophobicContact CG-CG 4.33Å; R321-P387 PolarHBondContact N-O 2.82Å; R321-S388 VanDerWaalsContact O-CA 3.28Å; R321-S388 WeakPolarHBondContact O-CA 3.49Å; R321-A389 PolarHBondContact O-N 3.05Å; R321-A389 VanDerWaalsContact O-N 3.1Å
322	I	94.9	Very high	89.9	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.005	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	117.3	-174.8	-50.7	-59.7	0	0	0	110.2	A320 F324 T333 N334 F336 L380 L385 A389 V391	A320-I322 HydrophobicContact CB-CD1 4.19Å; I322-F324 HydrophobicContact CB-CE2 4.12Å; I322-F324 HydrophobicContact CB-CZ 4.18Å; I322-F324 HydrophobicContact CG2-CD1 4.36Å; I322-F324 HydrophobicContact CG2-CD2 4.33Å; I322-F324 HydrophobicContact CG2-CE1 3.94Å; I322-F324 HydrophobicContact CG2-CE2 3.91Å; I322-F324 HydrophobicContact CG2-CZ 3.71Å; I322-T333 WeakPolarHBondContact O-CA 3.21Å; I322-N334 PolarHBondContact N-O 3.41Å; I322-N334 PolarHBondContact O-N 2.91Å; I322-N334 VanDerWaalsContact O-N 3.08Å; I322-F336 HydrophobicContact CB-CD2 4.22Å; I322-F336 HydrophobicContact CB-CE2 4.06Å; I322-F336 HydrophobicContact CG1-CD2 3.79Å; I322-F336 HydrophobicContact CG1-CE2 4.11Å; I322-L380 HydrophobicContact CD1-CD2 4.42Å; I322-L380 HydrophobicContact CG1-CD1 4.45Å; I322-L385 HydrophobicContact CD1-CB 3.87Å; I322-A389 HydrophobicContact CD1-CB 3.99Å; I322-V391 HydrophobicContact CG2-CB 4.34Å; I322-V391 HydrophobicContact CG2-CG2 3.91Å
323	Q	95.8	Very high	90.4	Very high	51 Å²	51	70.4 Å²	70.4	24%	0.238	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	115.2	169	-178.2	-172.6	28.3	0	0	109.9	S331 F332 A389 S390 V391	Q323-S331 PolarHBondContact NE2-OG 3Å; Q323-F332 CarbonylContact C-O 3.5Å; Q323-A389 PolarHBondContact N-O 2.91Å; Q323-S390 WeakPolarHBondContact O-CA 3.21Å; Q323-S390 PolarHBondContact OE1-OG 3.29Å; Q323-V391 PolarHBondContact O-N 2.81Å
324	F	95.5	Very high	91	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.009	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.5	173.3	-55.8	-91.5	0	0	0	109.8	I322 S331 F332 F336 A345 F348 A349 L362 V391	I322-F324 HydrophobicContact CB-CE2 4.12Å; I322-F324 HydrophobicContact CB-CZ 4.18Å; I322-F324 HydrophobicContact CG2-CD1 4.36Å; I322-F324 HydrophobicContact CG2-CD2 4.33Å; I322-F324 HydrophobicContact CG2-CE1 3.94Å; I322-F324 HydrophobicContact CG2-CE2 3.91Å; I322-F324 HydrophobicContact CG2-CZ 3.71Å; F324-S331 CarbonylContact O-C 3.52Å; F324-S331 WeakPolarHBondContact O-CA 3.45Å; F324-S331 WeakPolarHBondContact O-CB 3.46Å; F324-F332 HydrophobicContact CB-CD1 4.39Å; F324-F332 HydrophobicContact CB-CD2 3.95Å; F324-F332 HydrophobicContact CB-CE1 4.06Å; F324-F332 HydrophobicContact CB-CE2 3.58Å; F324-F332 HydrophobicContact CB-CG 4.34Å; F324-F332 HydrophobicContact CB-CZ 3.63Å; F324-F332 HydrophobicContact CD1-CE2 4.36Å; F324-F332 AromaticContact CD2-CD2 3.54Å; F324-F332 HydrophobicContact CD2-CD2 3.54Å; F324-F332 AromaticContact CD2-CE2 3.27Å; F324-F332 HydrophobicContact CD2-CE2 3.27Å; F324-F332 HydrophobicContact CD2-CZ 4.15Å; F324-F332 HydrophobicContact CE2-CD2 4.37Å; F324-F332 AromaticContact CE2-CE2 3.99Å; F324-F332 HydrophobicContact CE2-CE2 3.99Å; F324-F332 HydrophobicContact CG-CD2 4.05Å; F324-F332 AromaticContact CG-CE2 3.48Å; F324-F332 HydrophobicContact CG-CE2 3.48Å; F324-F332 VanDerWaalsContact CG-CE2 3.48Å; F324-F332 AromaticContact CG-CZ 3.9Å; F324-F332 HydrophobicContact CG-CZ 3.9Å; F324-F332 PolarHBondContact N-O 3.27Å; F324-F332 PolarHBondContact O-N 2.91Å; F324-F332 VanDerWaalsContact O-N 3.09Å; F324-F336 AromaticContact CE2-CE2 3.94Å; F324-F336 HydrophobicContact CE2-CE2 3.94Å; F324-F336 HydrophobicContact CE2-CZ 4.17Å; F324-F336 AromaticContact CZ-CE2 3.9Å; F324-F336 HydrophobicContact CZ-CE2 3.9Å; F324-F336 AromaticContact CZ-CZ 4Å; F324-F336 HydrophobicContact CZ-CZ 4Å; F324-A345 HydrophobicContact CE1-CB 4.27Å; F324-A345 VanDerWaalsContact CE1-O 3.31Å; F324-A345 WeakPolarHBondContact CE1-O 3.37Å; F324-A345 HydrophobicContact CZ-CB 3.91Å; F324-A345 VanDerWaalsContact CZ-O 3.3Å; F324-A345 WeakPolarHBondContact CZ-O 2.81Å; F324-F348 AromaticContact CE2-CD1 3.86Å; F324-F348 HydrophobicContact CE2-CD1 3.86Å; F324-F348 HydrophobicContact CE2-CE1 4.13Å; F324-F348 HydrophobicContact CZ-CD1 4.23Å; F324-A349 HydrophobicContact CD1-CB 3.87Å; F324-A349 HydrophobicContact CE1-CB 3.85Å; F324-A349 HydrophobicContact CZ-CB 4.48Å; F324-L362 HydrophobicContact CE1-CD1 4.46Å; F324-V391 CarbonylContact C-O 3.57Å; F324-V391 WeakPolarHBondContact CA-O 3.2Å
325	R	94.2	Very high	91.6	Very high	107 Å²	107	67.3 Å²	67.3	40%	0.404	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.3	174.9	-66.1	178.9	178.5	-95.8	-12.4	109.9	S390 V391 V392 L393	R325-S390 WeakPolarHBondContact CD-OG 3.42Å; R325-S390 PolarHBondContact NE-OG 2.89Å; R325-V391 PolarHBondContact N-O 3.44Å; R325-V392 HydrophobicContact CB-CG2 4.34Å; R325-L393 PolarHBondContact O-N 3.03Å
326	L	93.5	Very high	92.2	Very high	21 Å²	21	62.4 Å²	62.4	11%	0.11	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-100.2	155.9	-176.5	-68.7	173.9	0	0	0	112.4	D328 G329 S330 F332 V353 Y357 L393	L326-D328 VanDerWaalsContact CB-OD1 3.26Å; L326-D328 WeakPolarHBondContact CB-OD1 3.48Å; L326-D328 PolarHBondContact O-N 2.92Å; L326-G329 PolarHBondContact O-N 3.3Å; L326-S330 WeakPolarHBondContact CD1-OG 3.41Å; L326-S330 PolarHBondContact N-O 3.2Å; L326-F332 HydrophobicContact CD1-CD1 3.98Å; L326-F332 HydrophobicContact CD1-CE1 3.85Å; L326-F332 HydrophobicContact CD2-CE1 4.03Å; L326-F332 HydrophobicContact CG-CD1 4.4Å; L326-F332 HydrophobicContact CG-CE1 4.05Å; L326-V353 HydrophobicContact CD1-CG1 4.31Å; L326-V353 HydrophobicContact CD2-CG1 3.56Å; L326-Y357 HydrophobicContact CD2-CD2 4.34Å; L326-Y357 HydrophobicContact CD2-CE2 3.96Å; L326-L393 HydrophobicContact CD2-CB 4.06Å; L326-L393 HydrophobicContact CD2-CD1 3.88Å; L326-L393 HydrophobicContact CD2-CD2 4.36Å; L326-L393 HydrophobicContact CD2-CG 4.32Å
327	P	89.8	Confident	92.9	Very high	67 Å²	67	57.1 Å²	57.1	44%	0.435	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.3	175.1	-25.8	35.9	0	0	0	114.4	G329 Y357 L393 P395	P327-G329 PolarHBondContact O-N 3.12Å; P327-Y357 HydrophobicContact CB-CE1 3.9Å; P327-Y357 HydrophobicContact CG-CD1 4.01Å; P327-Y357 HydrophobicContact CG-CE1 3.67Å; P327-L393 HydrophobicContact CG-CD2 4.31Å; P327-P395 HydrophobicContact CG-CG 3.84Å
328	D	88.7	Confident	93.5	Very high	91 Å²	91	55.8 Å²	55.8	49%	0.487	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-4	172.4	56.1	47.6	0	0	0	114.1	L326 S330 Y357	L326-D328 VanDerWaalsContact CB-OD1 3.26Å; L326-D328 WeakPolarHBondContact CB-OD1 3.48Å; L326-D328 PolarHBondContact O-N 2.92Å; D328-S330 VanDerWaalsContact C-N 3.3Å; D328-S330 PolarHBondContact O-N 3.38Å; D328-S330 WeakPolarHBondContact OD1-CA 3.41Å; D328-S330 WeakPolarHBondContact OD1-CB 3.23Å; D328-S330 PolarHBondContact OD1-N 3.29Å; D328-S330 PolarHBondContact OD1-OG 2.86Å; D328-Y357 WeakPolarHBondContact CB-OH 3.33Å; D328-Y357 VanDerWaalsContact CG-OH 3.27Å; D328-Y357 PolarHBondContact N-OH 3.18Å; D328-Y357 PolarHBondContact OD2-OH 3.42Å
329	G	88.8	Confident	93.7	Very high	72 Å²	72	56.6 Å²	56.6	74%	0.742	31%	0.314	S	S	*	.	S	Bend	trans	86	-8.9	-179.5	0	0	0	0	0	114.7	L326 P327	L326-G329 PolarHBondContact O-N 3.3Å; P327-G329 PolarHBondContact O-N 3.12Å
330	S	92.7	Very high	93.8	Very high	60 Å²	60	54.3 Å²	54.3	42%	0.42	30%	0.301	S	S	.	.			trans	-75.5	169.8	172.4	78.2	0	0	0	0	111.8	L326 D328	L326-S330 WeakPolarHBondContact CD1-OG 3.41Å; L326-S330 PolarHBondContact N-O 3.2Å; D328-S330 VanDerWaalsContact C-N 3.3Å; D328-S330 PolarHBondContact O-N 3.38Å; D328-S330 WeakPolarHBondContact OD1-CA 3.41Å; D328-S330 WeakPolarHBondContact OD1-CB 3.23Å; D328-S330 PolarHBondContact OD1-N 3.29Å; D328-S330 PolarHBondContact OD1-OG 2.86Å
331	S	94.9	Very high	93.9	Very high	57 Å²	57	56.7 Å²	56.7	40%	0.399	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	142.3	175.2	72.4	0	0	0	0	111.9	Q323 F324	Q323-S331 PolarHBondContact NE2-OG 3Å; F324-S331 CarbonylContact O-C 3.52Å; F324-S331 WeakPolarHBondContact O-CA 3.45Å; F324-S331 WeakPolarHBondContact O-CB 3.46Å
332	F	95.4	Very high	94	Very high	37 Å²	37	49.9 Å²	49.9	16%	0.162	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	160.9	169.8	57.4	-92.5	0	0	0	109.9	Q323 F324 L326 F348 A349 T352 V353	Q323-F332 CarbonylContact C-O 3.5Å; F324-F332 HydrophobicContact CB-CD1 4.39Å; F324-F332 HydrophobicContact CB-CD2 3.95Å; F324-F332 HydrophobicContact CB-CE1 4.06Å; F324-F332 HydrophobicContact CB-CE2 3.58Å; F324-F332 HydrophobicContact CB-CG 4.34Å; F324-F332 HydrophobicContact CB-CZ 3.63Å; F324-F332 HydrophobicContact CD1-CE2 4.36Å; F324-F332 AromaticContact CD2-CD2 3.54Å; F324-F332 HydrophobicContact CD2-CD2 3.54Å; F324-F332 AromaticContact CD2-CE2 3.27Å; F324-F332 HydrophobicContact CD2-CE2 3.27Å; F324-F332 HydrophobicContact CD2-CZ 4.15Å; F324-F332 HydrophobicContact CE2-CD2 4.37Å; F324-F332 AromaticContact CE2-CE2 3.99Å; F324-F332 HydrophobicContact CE2-CE2 3.99Å; F324-F332 HydrophobicContact CG-CD2 4.05Å; F324-F332 AromaticContact CG-CE2 3.48Å; F324-F332 HydrophobicContact CG-CE2 3.48Å; F324-F332 VanDerWaalsContact CG-CE2 3.48Å; F324-F332 AromaticContact CG-CZ 3.9Å; F324-F332 HydrophobicContact CG-CZ 3.9Å; F324-F332 PolarHBondContact N-O 3.27Å; F324-F332 PolarHBondContact O-N 2.91Å; F324-F332 VanDerWaalsContact O-N 3.09Å; L326-F332 HydrophobicContact CD1-CD1 3.98Å; L326-F332 HydrophobicContact CD1-CE1 3.85Å; L326-F332 HydrophobicContact CD2-CE1 4.03Å; L326-F332 HydrophobicContact CG-CD1 4.4Å; L326-F332 HydrophobicContact CG-CE1 4.05Å; F332-F348 AromaticContact CD2-CE1 3.76Å; F332-F348 HydrophobicContact CD2-CE1 3.76Å; F332-F348 HydrophobicContact CE2-CD1 4.09Å; F332-F348 AromaticContact CE2-CE1 3.69Å; F332-F348 HydrophobicContact CE2-CE1 3.69Å; F332-A349 HydrophobicContact CE2-CB 4.41Å; F332-A349 HydrophobicContact CZ-CB 4.09Å; F332-T352 HydrophobicContact CD1-CG2 3.8Å; F332-T352 HydrophobicContact CD2-CG2 4Å; F332-T352 HydrophobicContact CE1-CG2 3.7Å; F332-T352 HydrophobicContact CE2-CG2 3.91Å; F332-T352 HydrophobicContact CG-CG2 3.95Å; F332-T352 HydrophobicContact CZ-CG2 3.77Å; F332-V353 HydrophobicContact CE1-CG1 3.94Å; F332-V353 HydrophobicContact CZ-CG1 4.27Å
333	T	95.8	Very high	93.9	Very high	60 Å²	60	54 Å²	54	37%	0.368	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.4	-177.1	-57.4	0	0	0	0	109.5	R321 I322	R321-T333 HydrophobicContact CG-CG2 3.61Å; I322-T333 WeakPolarHBondContact O-CA 3.21Å
334	N	95.3	Very high	93.9	Very high	54 Å²	54	55.6 Å²	55.6	29%	0.289	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	165.1	172.3	-165.1	17.9	0	0	0	111	I322 F336 F348	I322-N334 PolarHBondContact N-O 3.41Å; I322-N334 PolarHBondContact O-N 2.91Å; I322-N334 VanDerWaalsContact O-N 3.08Å; N334-F336 HydrophobicContact CB-CE2 3.79Å; N334-F336 HydrophobicContact CB-CZ 3.93Å; N334-F348 HydrophobicContact CB-CD1 3.98Å; N334-F348 HydrophobicContact CB-CE1 3.45Å; N334-F348 VanDerWaalsContact CB-CE1 3.45Å; N334-F348 HydrophobicContact CB-CE2 4.43Å; N334-F348 HydrophobicContact CB-CZ 3.71Å; N334-F348 WeakPolarHBondContact ND2-CE2 3.39Å
335	Q	95.4	Very high	93.8	Very high	134 Å²	134	55.5 Å²	55.5	63%	0.626	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.6	176.8	-68.1	177.5	95.6	0	0	108.9	V319 R321	V319-Q335 HydrophobicContact CG1-CB 3.88Å; V319-Q335 HydrophobicContact CG1-CG 4.26Å; R321-Q335 HydrophobicContact CB-CG 4.39Å; R321-Q335 HydrophobicContact CG-CG 4.33Å
336	F	94.9	Very high	93.8	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.035	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	150.5	176.8	-56.6	-90.5	0	0	0	108	V319 A320 I322 F324 N334 E344 A345 F348 L380	V319-F336 CarbonylContact C-O 3.58Å; A320-F336 PolarHBondContact N-O 3.25Å; A320-F336 PolarHBondContact O-N 3.36Å; I322-F336 HydrophobicContact CB-CD2 4.22Å; I322-F336 HydrophobicContact CB-CE2 4.06Å; I322-F336 HydrophobicContact CG1-CD2 3.79Å; I322-F336 HydrophobicContact CG1-CE2 4.11Å; F324-F336 AromaticContact CE2-CE2 3.94Å; F324-F336 HydrophobicContact CE2-CE2 3.94Å; F324-F336 HydrophobicContact CE2-CZ 4.17Å; F324-F336 AromaticContact CZ-CE2 3.9Å; F324-F336 HydrophobicContact CZ-CE2 3.9Å; F324-F336 AromaticContact CZ-CZ 4Å; F324-F336 HydrophobicContact CZ-CZ 4Å; N334-F336 HydrophobicContact CB-CE2 3.79Å; N334-F336 HydrophobicContact CB-CZ 3.93Å; F336-E344 HydrophobicContact CD1-CG 4.32Å; F336-E344 HydrophobicContact CE1-CG 4.46Å; F336-A345 HydrophobicContact CD2-CB 4.43Å; F336-A345 HydrophobicContact CE1-CB 4.28Å; F336-A345 HydrophobicContact CE2-CB 4.06Å; F336-A345 HydrophobicContact CZ-CB 3.98Å; F336-F348 HydrophobicContact CE1-CB 3.95Å; F336-F348 HydrophobicContact CE1-CG 4.28Å; F336-F348 HydrophobicContact CZ-CB 3.86Å; F336-F348 AromaticContact CZ-CD1 3.79Å; F336-F348 HydrophobicContact CZ-CD1 3.79Å; F336-F348 AromaticContact CZ-CG 3.9Å; F336-F348 HydrophobicContact CZ-CG 3.9Å; F336-L380 HydrophobicContact CB-CD1 3.49Å; F336-L380 VanDerWaalsContact CB-CD1 3.49Å; F336-L380 HydrophobicContact CD2-CD1 4.37Å; F336-L380 HydrophobicContact CG-CD1 4.09Å
337	P	94.9	Very high	93.8	Very high	62 Å²	62	57.5 Å²	57.5	40%	0.403	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	144.2	171.6	30.7	-32.8	0	0	0	108.9	D339 A340	P337-D339 PolarHBondContact O-N 3.03Å; P337-A340 HydrophobicContact CG-CB 3.94Å; P337-A340 WeakPolarHBondContact O-CB 3.24Å; P337-A340 PolarHBondContact O-N 3.4Å
338	S	93.8	Very high	94	Very high	13 Å²	13	57 Å²	57	9%	0.091	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.3	-170.8	61.5	0	0	0	0	114	S317 T318 L380 L381	S317-S338 WeakPolarHBondContact O-CB 3.47Å; S317-S338 PolarHBondContact O-OG 3.35Å; T318-S338 WeakPolarHBondContact CA-OG 3.41Å; T318-S338 WeakPolarHBondContact O-CB 3.34Å; T318-S338 PolarHBondContact O-N 3.31Å; T318-S338 PolarHBondContact O-OG 3.01Å; S338-L380 PolarHBondContact O-N 3.16Å; S338-L381 WeakPolarHBondContact O-CB 3.39Å; S338-L381 PolarHBondContact O-N 3.47Å
339	D	93.8	Very high	94.2	Very high	91 Å²	91	52.7 Å²	52.7	49%	0.487	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-1.7	-179	73.9	-43.8	0	0	0	114.3	P337 K379	P337-D339 PolarHBondContact O-N 3.03Å; D339-K379 HydrophobicContact CB-CD 3.99Å; D339-K379 WeakPolarHBondContact O-CD 3.37Å; D339-K379 WeakPolarHBondContact O-CE 3.44Å; D339-K379 WeakPolarHBondContact O-CG 3.44Å
340	A	94.1	Very high	94.3	Very high	7 Å²	7	50.9 Å²	50.9	6%	0.058	27%	0.274	C	S	.	.	S	Bend	trans	-63.5	148.7	168.5	0	0	0	0	0	111.6	P337 E344 K379 L380	P337-A340 HydrophobicContact CG-CB 3.94Å; P337-A340 WeakPolarHBondContact O-CB 3.24Å; P337-A340 PolarHBondContact O-N 3.4Å; A340-E344 WeakPolarHBondContact CB-OE2 3.39Å; A340-K379 CarbonylContact O-C 3.51Å; A340-K379 VanDerWaalsContact O-CA 3.28Å; A340-K379 WeakPolarHBondContact O-CA 3.47Å; A340-L380 HydrophobicContact CB-CD1 4.47Å; A340-L380 PolarHBondContact O-N 2.88Å
341	P	95.8	Very high	94.3	Very high	51 Å²	51	55.4 Å²	55.4	33%	0.331	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-71.3	148.4	172.9	31.3	-34.5	0	0	0	111.2	E343 E344 K378	P341-E343 PolarHBondContact O-N 2.77Å; P341-E343 VanDerWaalsContact O-N 3.08Å; P341-E344 HydrophobicContact CG-CB 4.45Å; P341-E344 WeakPolarHBondContact O-CB 3.32Å; P341-E344 PolarHBondContact O-N 3.21Å; P341-K378 WeakPolarHBondContact CA-O 3.46Å
342	L	95.3	Very high	94.1	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-57.1	-24.3	173.1	173.2	71.5	0	0	0	112.9	E344 A345 R346 F371 D375 Y376 K378 L380 L383 L385	L342-E344 VanDerWaalsContact C-N 3.28Å; L342-E344 PolarHBondContact O-N 2.7Å; L342-A345 HydrophobicContact CD1-CB 4.4Å; L342-A345 PolarHBondContact O-N 3.08Å; L342-R346 PolarHBondContact O-N 3.25Å; L342-F371 HydrophobicContact CD1-CD2 4.49Å; L342-F371 HydrophobicContact CD1-CE2 4.22Å; L342-F371 HydrophobicContact CD1-CZ 4.41Å; L342-F371 HydrophobicContact CD2-CB 3.79Å; L342-F371 HydrophobicContact CD2-CD1 3.49Å; L342-F371 VanDerWaalsContact CD2-CD1 3.49Å; L342-F371 HydrophobicContact CD2-CD2 3.68Å; L342-F371 HydrophobicContact CD2-CE1 3.86Å; L342-F371 HydrophobicContact CD2-CE2 4.04Å; L342-F371 HydrophobicContact CD2-CG 3.38Å; L342-F371 HydrophobicContact CD2-CZ 4.11Å; L342-D375 HydrophobicContact CD2-CB 4.4Å; L342-Y376 HydrophobicContact CB-CD1 4.38Å; L342-Y376 HydrophobicContact CD2-CD1 3.71Å; L342-Y376 HydrophobicContact CD2-CE1 3.82Å; L342-Y376 HydrophobicContact CD2-CG 4.42Å; L342-Y376 HydrophobicContact CG-CD1 3.72Å; L342-Y376 HydrophobicContact CG-CE1 3.98Å; L342-Y376 PolarHBondContact N-O 2.79Å; L342-K378 PolarHBondContact N-O 2.85Å; L342-L380 HydrophobicContact CB-CD2 4.17Å; L342-L380 HydrophobicContact CD1-CD2 3.95Å; L342-L383 HydrophobicContact CB-CD1 3.54Å; L342-L383 HydrophobicContact CD2-CD1 3.82Å; L342-L383 HydrophobicContact CG-CD1 4.15Å; L342-L385 HydrophobicContact CD1-CD1 3.9Å
343	E	94.5	Very high	93.8	Very high	88 Å²	88	54.8 Å²	54.8	41%	0.411	29%	0.285	S	S	.	.	H	α-helix	trans	-57.7	-35.9	173	-171.5	165.4	-176.8	0	0	113.4	P341 A345 R346 Q347 Y376	P341-E343 PolarHBondContact O-N 2.77Å; P341-E343 VanDerWaalsContact O-N 3.08Å; E343-A345 PolarHBondContact O-N 2.89Å; E343-R346 CarbonylContact O-C 3.6Å; E343-R346 WeakPolarHBondContact O-CA 3.17Å; E343-R346 WeakPolarHBondContact O-CB 3.5Å; E343-R346 PolarHBondContact O-N 3.43Å; E343-R346 VanDerWaalsContact O-N 3.1Å; E343-Q347 HydrophobicContact CG-CG 4.38Å; E343-Q347 WeakPolarHBondContact O-CG 3.38Å; E343-Q347 PolarHBondContact O-N 2.91Å; E343-Y376 WeakPolarHBondContact CB-O 3.49Å; E343-Y376 PolarHBondContact N-O 3.16Å
344	E	94.9	Very high	93.3	Very high	84 Å²	84	53.6 Å²	53.6	39%	0.393	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-43.6	178.1	-169.4	-176.8	146.8	0	0	111.1	F336 A340 P341 L342 R346 Q347 F348	F336-E344 HydrophobicContact CD1-CG 4.32Å; F336-E344 HydrophobicContact CE1-CG 4.46Å; A340-E344 WeakPolarHBondContact CB-OE2 3.39Å; P341-E344 HydrophobicContact CG-CB 4.45Å; P341-E344 WeakPolarHBondContact O-CB 3.32Å; P341-E344 PolarHBondContact O-N 3.21Å; L342-E344 VanDerWaalsContact C-N 3.28Å; L342-E344 PolarHBondContact O-N 2.7Å; E344-R346 VanDerWaalsContact C-N 3.27Å; E344-R346 PolarHBondContact O-N 2.92Å; E344-Q347 PolarHBondContact O-N 2.88Å; E344-F348 PolarHBondContact O-N 3.19Å
345	A	94.2	Very high	92.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-35.3	172.6	0	0	0	0	0	112.2	F324 F336 L342 E343 A349 L380	F324-A345 HydrophobicContact CE1-CB 4.27Å; F324-A345 VanDerWaalsContact CE1-O 3.31Å; F324-A345 WeakPolarHBondContact CE1-O 3.37Å; F324-A345 HydrophobicContact CZ-CB 3.91Å; F324-A345 VanDerWaalsContact CZ-O 3.3Å; F324-A345 WeakPolarHBondContact CZ-O 2.81Å; F336-A345 HydrophobicContact CD2-CB 4.43Å; F336-A345 HydrophobicContact CE1-CB 4.28Å; F336-A345 HydrophobicContact CE2-CB 4.06Å; F336-A345 HydrophobicContact CZ-CB 3.98Å; L342-A345 HydrophobicContact CD1-CB 4.4Å; L342-A345 PolarHBondContact O-N 3.08Å; E343-A345 PolarHBondContact O-N 2.89Å; A345-A349 WeakPolarHBondContact O-CB 3.27Å; A345-A349 PolarHBondContact O-N 2.96Å; A345-A349 VanDerWaalsContact O-N 3.1Å; A345-L380 HydrophobicContact CB-CD2 4.47Å
346	R	93.1	Very high	92.2	Very high	70 Å²	70	53.8 Å²	53.8	26%	0.264	29%	0.294	S	S	.	.	H	α-helix	trans	-68.8	-41.9	173	-171.4	-173.9	-179	-90.1	-8.9	112.3	L342 E343 E344 A349 A350 F360 L362 Y376	L342-R346 PolarHBondContact O-N 3.25Å; E343-R346 CarbonylContact O-C 3.6Å; E343-R346 WeakPolarHBondContact O-CA 3.17Å; E343-R346 WeakPolarHBondContact O-CB 3.5Å; E343-R346 PolarHBondContact O-N 3.43Å; E343-R346 VanDerWaalsContact O-N 3.1Å; E344-R346 VanDerWaalsContact C-N 3.27Å; E344-R346 PolarHBondContact O-N 2.92Å; R346-A349 PolarHBondContact O-N 3.35Å; R346-A350 WeakPolarHBondContact O-CB 3.3Å; R346-A350 PolarHBondContact O-N 3.08Å; R346-F360 HydrophobicContact CG-CE2 3.99Å; R346-F360 HydrophobicContact CG-CZ 4.4Å; R346-F360 PolarHBondContact NH2-O 3.42Å; R346-L362 HydrophobicContact CB-CD1 3.99Å; R346-L362 HydrophobicContact CG-CD1 4.25Å; R346-Y376 HydrophobicContact CB-CD1 4.27Å; R346-Y376 HydrophobicContact CB-CE1 3.99Å; R346-Y376 HydrophobicContact CG-CE1 4.15Å
347	Q	93.2	Very high	91.5	Very high	99 Å²	99	55.4 Å²	55.4	46%	0.463	30%	0.3	S	S	.	.	H	α-helix	trans	-64.9	-44.3	178.4	-70.7	178.7	19.6	0	0	111.2	E343 E344 A349 A350 Q351	E343-Q347 HydrophobicContact CG-CG 4.38Å; E343-Q347 WeakPolarHBondContact O-CG 3.38Å; E343-Q347 PolarHBondContact O-N 2.91Å; E344-Q347 PolarHBondContact O-N 2.88Å; Q347-A349 PolarHBondContact O-N 3.07Å; Q347-A350 WeakPolarHBondContact O-CB 3.15Å; Q347-A350 PolarHBondContact O-N 2.87Å; Q347-A350 VanDerWaalsContact O-N 3.15Å; Q347-Q351 WeakPolarHBondContact O-CG 3.34Å; Q347-Q351 PolarHBondContact O-N 2.74Å
348	F	94.6	Very high	91	Very high	58 Å²	58	53 Å²	53	25%	0.254	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-44.1	173.4	174.5	-98.1	0	0	0	112.4	F324 F332 N334 F336 E344 A350 Q351 T352	F324-F348 AromaticContact CE2-CD1 3.86Å; F324-F348 HydrophobicContact CE2-CD1 3.86Å; F324-F348 HydrophobicContact CE2-CE1 4.13Å; F324-F348 HydrophobicContact CZ-CD1 4.23Å; F332-F348 AromaticContact CD2-CE1 3.76Å; F332-F348 HydrophobicContact CD2-CE1 3.76Å; F332-F348 HydrophobicContact CE2-CD1 4.09Å; F332-F348 AromaticContact CE2-CE1 3.69Å; F332-F348 HydrophobicContact CE2-CE1 3.69Å; N334-F348 HydrophobicContact CB-CD1 3.98Å; N334-F348 HydrophobicContact CB-CE1 3.45Å; N334-F348 VanDerWaalsContact CB-CE1 3.45Å; N334-F348 HydrophobicContact CB-CE2 4.43Å; N334-F348 HydrophobicContact CB-CZ 3.71Å; N334-F348 WeakPolarHBondContact ND2-CE2 3.39Å; F336-F348 HydrophobicContact CE1-CB 3.95Å; F336-F348 HydrophobicContact CE1-CG 4.28Å; F336-F348 HydrophobicContact CZ-CB 3.86Å; F336-F348 AromaticContact CZ-CD1 3.79Å; F336-F348 HydrophobicContact CZ-CD1 3.79Å; F336-F348 AromaticContact CZ-CG 3.9Å; F336-F348 HydrophobicContact CZ-CG 3.9Å; E344-F348 PolarHBondContact O-N 3.19Å; F348-A350 VanDerWaalsContact C-N 3.32Å; F348-A350 PolarHBondContact O-N 3.17Å; F348-Q351 PolarHBondContact O-N 2.68Å; F348-T352 WeakPolarHBondContact O-CB 3.26Å; F348-T352 PolarHBondContact O-N 3.24Å; F348-T352 PolarHBondContact O-OG1 3.19Å
349	A	92.9	Very high	90.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-41.4	174.1	0	0	0	0	0	111.9	F324 F332 A345 R346 Q347 T352 V353 F360	F324-A349 HydrophobicContact CD1-CB 3.87Å; F324-A349 HydrophobicContact CE1-CB 3.85Å; F324-A349 HydrophobicContact CZ-CB 4.48Å; F332-A349 HydrophobicContact CE2-CB 4.41Å; F332-A349 HydrophobicContact CZ-CB 4.09Å; A345-A349 WeakPolarHBondContact O-CB 3.27Å; A345-A349 PolarHBondContact O-N 2.96Å; A345-A349 VanDerWaalsContact O-N 3.1Å; R346-A349 PolarHBondContact O-N 3.35Å; Q347-A349 PolarHBondContact O-N 3.07Å; A349-T352 PolarHBondContact O-N 3.12Å; A349-V353 WeakPolarHBondContact O-CG2 3.4Å; A349-V353 PolarHBondContact O-N 3.45Å; A349-F360 HydrophobicContact CB-CE2 4.19Å; A349-F360 HydrophobicContact CB-CZ 4.07Å
350	A	91.7	Very high	90.4	Very high	34 Å²	34	52.5 Å²	52.5	28%	0.281	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-39.8	179	0	0	0	0	0	112.7	R346 Q347 F348 T352 G354 F360	R346-A350 WeakPolarHBondContact O-CB 3.3Å; R346-A350 PolarHBondContact O-N 3.08Å; Q347-A350 WeakPolarHBondContact O-CB 3.15Å; Q347-A350 PolarHBondContact O-N 2.87Å; Q347-A350 VanDerWaalsContact O-N 3.15Å; F348-A350 VanDerWaalsContact C-N 3.32Å; F348-A350 PolarHBondContact O-N 3.17Å; A350-T352 VanDerWaalsContact C-N 3.34Å; A350-G354 WeakPolarHBondContact O-CA 3.21Å; A350-G354 PolarHBondContact O-N 3.29Å; A350-F360 HydrophobicContact CB-CE1 3.87Å; A350-F360 HydrophobicContact CB-CZ 3.76Å
351	Q	91.1	Very high	90.2	Very high	154 Å²	154	54 Å²	54	72%	0.72	29%	0.292	S	S	*	.	H	α-helix	trans	-64.9	-39.2	173.1	-69	173.5	9.7	0	0	111.6	Q347 F348	Q347-Q351 WeakPolarHBondContact O-CG 3.34Å; Q347-Q351 PolarHBondContact O-N 2.74Å; F348-Q351 PolarHBondContact O-N 2.68Å
352	T	91.6	Very high	90.1	Very high	68 Å²	68	51.5 Å²	51.5	42%	0.417	28%	0.276	S	S	.	.	H	α-helix	trans	-70.3	-38.6	-177.9	-54.7	0	0	0	0	112.8	F332 F348 A349 A350	F332-T352 HydrophobicContact CD1-CG2 3.8Å; F332-T352 HydrophobicContact CD2-CG2 4Å; F332-T352 HydrophobicContact CE1-CG2 3.7Å; F332-T352 HydrophobicContact CE2-CG2 3.91Å; F332-T352 HydrophobicContact CG-CG2 3.95Å; F332-T352 HydrophobicContact CZ-CG2 3.77Å; F348-T352 WeakPolarHBondContact O-CB 3.26Å; F348-T352 PolarHBondContact O-N 3.24Å; F348-T352 PolarHBondContact O-OG1 3.19Å; A349-T352 PolarHBondContact O-N 3.12Å; A350-T352 VanDerWaalsContact C-N 3.34Å
353	V	89.4	Confident	90	Very high	14 Å²	14	51.6 Å²	51.6	9%	0.085	28%	0.277	C	S	.	.	H	α-helix	trans	-94.3	-13.9	-179.9	-51.7	0	0	0	0	114.2	L326 F332 A349 T356 Y357 F360 L393	L326-V353 HydrophobicContact CD1-CG1 4.31Å; L326-V353 HydrophobicContact CD2-CG1 3.56Å; F332-V353 HydrophobicContact CE1-CG1 3.94Å; F332-V353 HydrophobicContact CZ-CG1 4.27Å; A349-V353 WeakPolarHBondContact O-CG2 3.4Å; A349-V353 PolarHBondContact O-N 3.45Å; V353-T356 VanDerWaalsContact O-CB 3.25Å; V353-T356 WeakPolarHBondContact O-CB 3.32Å; V353-T356 PolarHBondContact O-N 3.45Å; V353-T356 PolarHBondContact O-OG1 3.43Å; V353-Y357 HydrophobicContact CB-CD2 3.99Å; V353-Y357 HydrophobicContact CG1-CD2 4.24Å; V353-Y357 HydrophobicContact CG2-CD2 4.21Å; V353-F360 HydrophobicContact CG2-CD1 4.41Å; V353-F360 HydrophobicContact CG2-CE1 3.97Å; V353-L393 HydrophobicContact CG1-CD1 4.09Å; V353-L393 HydrophobicContact CG2-CD1 4.25Å
354	G	86	Confident	89.9	Confident	35 Å²	35	48.2 Å²	48.2	36%	0.361	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	54.9	-142.7	-172.1	0	0	0	0	0	112.5	A350 T356	A350-G354 WeakPolarHBondContact O-CA 3.21Å; A350-G354 PolarHBondContact O-N 3.29Å; G354-T356 VanDerWaalsContact C-N 3.28Å; G354-T356 PolarHBondContact O-N 3.2Å
355	N	82.7	Confident	89.4	Confident	80 Å²	80	48 Å²	48	43%	0.428	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-83.9	4.5	-179.7	-69.9	-38.9	0	0	0	114.4	Y357 G358 T400 S402	N355-Y357 PolarHBondContact O-N 2.82Å; N355-Y357 VanDerWaalsContact O-N 3.16Å; N355-G358 PolarHBondContact O-N 2.97Å; N355-G358 VanDerWaalsContact O-N 3.11Å; N355-T400 PolarHBondContact OD1-O 2.85Å; N355-S402 PolarHBondContact ND2-OG 2.98Å
356	T	83.1	Confident	88.8	Confident	112 Å²	112	56.8 Å²	56.8	69%	0.687	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-53.3	-38.7	-175.5	-50.8	0	0	0	0	113.3	V353 G354	V353-T356 VanDerWaalsContact O-CB 3.25Å; V353-T356 WeakPolarHBondContact O-CB 3.32Å; V353-T356 PolarHBondContact O-N 3.45Å; V353-T356 PolarHBondContact O-OG1 3.43Å; G354-T356 VanDerWaalsContact C-N 3.28Å; G354-T356 PolarHBondContact O-N 3.2Å
357	Y	81.8	Confident	88.5	Confident	42 Å²	42	58.5 Å²	58.5	17%	0.165	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-108.8	4.4	-177.8	-66.5	-65	0	0	0	113.9	L326 P327 D328 V353 N355 L393 P395	L326-Y357 HydrophobicContact CD2-CD2 4.34Å; L326-Y357 HydrophobicContact CD2-CE2 3.96Å; P327-Y357 HydrophobicContact CB-CE1 3.9Å; P327-Y357 HydrophobicContact CG-CD1 4.01Å; P327-Y357 HydrophobicContact CG-CE1 3.67Å; D328-Y357 WeakPolarHBondContact CB-OH 3.33Å; D328-Y357 VanDerWaalsContact CG-OH 3.27Å; D328-Y357 PolarHBondContact N-OH 3.18Å; D328-Y357 PolarHBondContact OD2-OH 3.42Å; V353-Y357 HydrophobicContact CB-CD2 3.99Å; V353-Y357 HydrophobicContact CG1-CD2 4.24Å; V353-Y357 HydrophobicContact CG2-CD2 4.21Å; N355-Y357 PolarHBondContact O-N 2.82Å; N355-Y357 VanDerWaalsContact O-N 3.16Å; Y357-L393 HydrophobicContact CD1-CD2 4.44Å; Y357-L393 HydrophobicContact CD2-CD2 3.92Å; Y357-L393 HydrophobicContact CG-CD2 3.78Å; Y357-P395 HydrophobicContact CD1-CB 4.05Å; Y357-P395 HydrophobicContact CD1-CG 4.47Å
358	G	82.7	Confident	88.2	Confident	11 Å²	11	62.9 Å²	62.9	11%	0.113	33%	0.333	C	S	.	.			trans	56.3	-139.1	-177.5	0	0	0	0	0	113.3	N355 F360	N355-G358 PolarHBondContact O-N 2.97Å; N355-G358 VanDerWaalsContact O-N 3.11Å; G358-F360 PolarHBondContact O-N 2.85Å
359	N	84.8	Confident	88.1	Confident	83 Å²	83	64.5 Å²	64.5	44%	0.444	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	112.2	169.2	-92.5	-25.3	0	0	0	110.2	A396 R398 T400	N359-A396 CarbonylContact O-C 3.48Å; N359-A396 WeakPolarHBondContact O-CA 3.4Å; N359-A396 VanDerWaalsContact O-CB 3.26Å; N359-A396 WeakPolarHBondContact O-CB 3.36Å; N359-A396 PolarHBondContact O-N 3.33Å; N359-A396 VanDerWaalsContact O-O 3.07Å; N359-R398 PolarHBondContact N-O 3.05Å; N359-T400 WeakPolarHBondContact ND2-CG2 3.21Å; N359-T400 WeakPolarHBondContact OD1-CG2 3.33Å
360	F	89.9	Confident	88.1	Confident	10 Å²	10	69.4 Å²	69.4	4%	0.044	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	151.9	172	64.7	-93.5	0	0	0	112.8	R346 A349 A350 V353 G358 L362 L393 L394	R346-F360 HydrophobicContact CG-CE2 3.99Å; R346-F360 HydrophobicContact CG-CZ 4.4Å; R346-F360 PolarHBondContact NH2-O 3.42Å; A349-F360 HydrophobicContact CB-CE2 4.19Å; A349-F360 HydrophobicContact CB-CZ 4.07Å; A350-F360 HydrophobicContact CB-CE1 3.87Å; A350-F360 HydrophobicContact CB-CZ 3.76Å; V353-F360 HydrophobicContact CG2-CD1 4.41Å; V353-F360 HydrophobicContact CG2-CE1 3.97Å; G358-F360 PolarHBondContact O-N 2.85Å; F360-L362 HydrophobicContact CD2-CD2 3.98Å; F360-L362 HydrophobicContact CD2-CG 4.46Å; F360-L362 HydrophobicContact CE2-CD2 3.92Å; F360-L362 HydrophobicContact CE2-CG 4.34Å; F360-L393 HydrophobicContact CB-CD1 4.36Å; F360-L393 HydrophobicContact CB-CD2 3.68Å; F360-L393 HydrophobicContact CB-CG 3.81Å; F360-L393 HydrophobicContact CD1-CD1 3.95Å; F360-L393 HydrophobicContact CD1-CD2 4.43Å; F360-L393 HydrophobicContact CD1-CG 4.33Å; F360-L393 HydrophobicContact CD2-CD1 3.56Å; F360-L393 HydrophobicContact CD2-CD2 4.37Å; F360-L393 HydrophobicContact CD2-CG 3.58Å; F360-L393 HydrophobicContact CE1-CD1 4.09Å; F360-L393 HydrophobicContact CE2-CD1 3.72Å; F360-L393 HydrophobicContact CE2-CG 4.22Å; F360-L393 HydrophobicContact CG-CD1 3.68Å; F360-L393 HydrophobicContact CG-CD2 3.92Å; F360-L393 HydrophobicContact CG-CG 3.64Å; F360-L393 HydrophobicContact CZ-CD1 3.98Å; F360-L394 CarbonylContact C-O 3.6Å; F360-L394 VanDerWaalsContact CA-O 3.25Å; F360-L394 WeakPolarHBondContact CA-O 3.49Å; F360-L394 WeakPolarHBondContact CB-O 3.37Å
361	S	91.4	Very high	88.2	Confident	38 Å²	38	68.2 Å²	68.2	27%	0.266	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	167.2	165.6	-168.2	0	0	0	0	110.1	L394	S361-L394 PolarHBondContact N-O 3.28Å; S361-L394 PolarHBondContact O-N 3.45Å
362	L	93.6	Very high	88.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.7	174.3	-66.3	-175.2	0	0	0	109.9	F324 R346 F360 F371 Y376 V391 V392 L393	F324-L362 HydrophobicContact CE1-CD1 4.46Å; R346-L362 HydrophobicContact CB-CD1 3.99Å; R346-L362 HydrophobicContact CG-CD1 4.25Å; F360-L362 HydrophobicContact CD2-CD2 3.98Å; F360-L362 HydrophobicContact CD2-CG 4.46Å; F360-L362 HydrophobicContact CE2-CD2 3.92Å; F360-L362 HydrophobicContact CE2-CG 4.34Å; L362-F371 HydrophobicContact CB-CD2 3.76Å; L362-F371 HydrophobicContact CB-CE2 4.38Å; L362-F371 VanDerWaalsContact O-CD2 3.31Å; L362-F371 WeakPolarHBondContact O-CD2 3.23Å; L362-F371 PolarHBondContact O-N 2.78Å; L362-Y376 HydrophobicContact CD1-CE1 4.27Å; L362-Y376 PolarHBondContact N-OH 3.13Å; L362-Y376 VanDerWaalsContact N-OH 3.16Å; L362-V391 HydrophobicContact CB-CG1 3.7Å; L362-V391 HydrophobicContact CD1-CG1 4.22Å; L362-V391 HydrophobicContact CD2-CG1 4.03Å; L362-V391 HydrophobicContact CG-CG1 4.19Å; L362-V392 WeakPolarHBondContact CA-O 3.42Å; L362-L393 HydrophobicContact CD2-CB 4.37Å
363	A	93.5	Very high	88.3	Confident	3 Å²	3	69.7 Å²	69.7	3%	0.025	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	147	177.5	0	0	0	0	0	112.9	R369 E370 V391 V392 L394	A363-R369 CarbonylContact C-O 3.59Å; A363-R369 VanDerWaalsContact CA-O 3.26Å; A363-R369 WeakPolarHBondContact CA-O 3.37Å; A363-R369 WeakPolarHBondContact CB-O 3.15Å; A363-E370 HydrophobicContact CB-CB 4.28Å; A363-E370 HydrophobicContact CB-CG 3.92Å; A363-V391 CarbonylContact O-C 3.51Å; A363-V391 WeakPolarHBondContact O-CA 3.44Å; A363-V392 PolarHBondContact N-O 3.14Å; A363-V392 PolarHBondContact O-N 3.07Å; A363-L394 HydrophobicContact CB-CD1 3.63Å; A363-L394 HydrophobicContact CB-CG 4.25Å
364	T	92.7	Very high	88.4	Confident	17 Å²	17	74 Å²	74	10%	0.104	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	152	170.8	53.2	0	0	0	0	111.4	P367 R368 R369 F371 L385	T364-P367 WeakPolarHBondContact CB-O 3.47Å; T364-P367 PolarHBondContact OG1-O 3.39Å; T364-R368 WeakPolarHBondContact O-CA 3.47Å; T364-R369 PolarHBondContact N-O 2.64Å; T364-R369 PolarHBondContact OG1-N 3.02Å; T364-R369 VanDerWaalsContact OG1-N 3.1Å; T364-R369 PolarHBondContact OG1-O 3.43Å; T364-F371 HydrophobicContact CG2-CE1 4.25Å; T364-F371 HydrophobicContact CG2-CE2 4.04Å; T364-F371 HydrophobicContact CG2-CZ 3.51Å; T364-L385 HydrophobicContact CG2-CD2 3.98Å
365	M	83.6	Confident	88.8	Confident	80 Å²	80	72.6 Å²	72.6	39%	0.394	36%	0.357	S	S	.	.	S	Bend	trans	-80.4	-47.6	174.3	-76.9	-66.6	-67.7	0	0	113.2	R368 V392	M365-R368 PolarHBondContact O-N 2.94Å; M365-V392 HydrophobicContact CG-CG2 3.75Å; M365-V392 HydrophobicContact SD-CG2 3.4Å; M365-V392 WeakPolarHBondContact SD-CG2 3.47Å
366	F	82	Confident	89.3	Confident	185 Å²	185	70.1 Å²	70.1	81%	0.811	34%	0.342	S	S	*	.	S	Bend	trans	-144	118.9	-175.1	-66	-76.5	0	0	0	110.1
367	P	85.7	Confident	89.8	Confident	105 Å²	105	71 Å²	71	68%	0.682	34%	0.336	S	S	*	.	S	Bend	cis	-57.7	149.1	-16.3	29	-35.5	0	0	0	110.5	T364 R369	T364-P367 WeakPolarHBondContact CB-O 3.47Å; T364-P367 PolarHBondContact OG1-O 3.39Å; P367-R369 PolarHBondContact O-N 3.1Å
368	R	88.2	Confident	90.5	Very high	191 Å²	191	72.9 Å²	72.9	72%	0.721	35%	0.346	S	S	*	.			trans	-76.9	107	-179.8	-172.1	179.6	171.7	-161.9	-8.2	110.4	T364 M365 E370	T364-R368 WeakPolarHBondContact O-CA 3.47Å; M365-R368 PolarHBondContact O-N 2.94Å; R368-E370 IonicContact NH2-OE1 3.45Å
369	R	92.3	Very high	91	Very high	92 Å²	92	76.7 Å²	76.7	35%	0.347	36%	0.359	S	S	.	.			trans	-138.2	129.5	-179.2	165.8	177.2	156.5	-144.2	-2	109.5	A363 T364 P367 D375 L383	A363-R369 CarbonylContact C-O 3.59Å; A363-R369 VanDerWaalsContact CA-O 3.26Å; A363-R369 WeakPolarHBondContact CA-O 3.37Å; A363-R369 WeakPolarHBondContact CB-O 3.15Å; T364-R369 PolarHBondContact N-O 2.64Å; T364-R369 PolarHBondContact OG1-N 3.02Å; T364-R369 VanDerWaalsContact OG1-N 3.1Å; T364-R369 PolarHBondContact OG1-O 3.43Å; P367-R369 PolarHBondContact O-N 3.1Å; R369-D375 IonicContact CZ-OD1 2.76Å; R369-D375 VanDerWaalsContact NH2-CG 3.33Å; R369-D375 IonicContact NH2-OD1 3.64Å; R369-D375 PolarHBondContact NH2-OD1 2.93Å; R369-D375 IonicContact NH2-OD2 3.96Å; R369-L383 VanDerWaalsContact NH2-CD2 3.31Å
370	E	93.1	Very high	91.5	Very high	104 Å²	104	72.7 Å²	72.7	49%	0.486	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-85.4	140.1	172.4	-51.6	-167.2	172.5	0	0	109.1	A363 R368 L394	A363-E370 HydrophobicContact CB-CB 4.28Å; A363-E370 HydrophobicContact CB-CG 3.92Å; R368-E370 IonicContact NH2-OE1 3.45Å; E370-L394 HydrophobicContact CG-CD1 4.12Å
371	F	93.5	Very high	91.6	Very high	9 Å²	9	76.4 Å²	76.4	4%	0.039	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-81.4	133	-175.7	-68.6	-65.8	0	0	0	112.1	L342 L362 T364 D375 Y376 L383 L385 V391	L342-F371 HydrophobicContact CD1-CD2 4.49Å; L342-F371 HydrophobicContact CD1-CE2 4.22Å; L342-F371 HydrophobicContact CD1-CZ 4.41Å; L342-F371 HydrophobicContact CD2-CB 3.79Å; L342-F371 HydrophobicContact CD2-CD1 3.49Å; L342-F371 VanDerWaalsContact CD2-CD1 3.49Å; L342-F371 HydrophobicContact CD2-CD2 3.68Å; L342-F371 HydrophobicContact CD2-CE1 3.86Å; L342-F371 HydrophobicContact CD2-CE2 4.04Å; L342-F371 HydrophobicContact CD2-CG 3.38Å; L342-F371 HydrophobicContact CD2-CZ 4.11Å; L362-F371 HydrophobicContact CB-CD2 3.76Å; L362-F371 HydrophobicContact CB-CE2 4.38Å; L362-F371 VanDerWaalsContact O-CD2 3.31Å; L362-F371 WeakPolarHBondContact O-CD2 3.23Å; L362-F371 PolarHBondContact O-N 2.78Å; T364-F371 HydrophobicContact CG2-CE1 4.25Å; T364-F371 HydrophobicContact CG2-CE2 4.04Å; T364-F371 HydrophobicContact CG2-CZ 3.51Å; F371-D375 HydrophobicContact CB-CB 4.19Å; F371-D375 HydrophobicContact CD1-CB 3.88Å; F371-Y376 HydrophobicContact CB-CE1 4.41Å; F371-Y376 HydrophobicContact CB-CE2 4.27Å; F371-L383 HydrophobicContact CE1-CD1 4.43Å; F371-L383 HydrophobicContact CE1-CD2 4.31Å; F371-L385 HydrophobicContact CE1-CD1 4.29Å; F371-L385 HydrophobicContact CZ-CD1 3.78Å; F371-L385 HydrophobicContact CZ-CD2 4.01Å; F371-L385 HydrophobicContact CZ-CG 4.47Å; F371-V391 HydrophobicContact CE2-CG1 4.09Å; F371-V391 HydrophobicContact CE2-CG2 4.28Å
372	T	92.9	Very high	91.6	Very high	73 Å²	73	79.1 Å²	79.1	45%	0.448	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-87.8	166.8	178.5	66.7	0	0	0	0	112.1	E374 D375 Y376	T372-E374 PolarHBondContact O-N 2.7Å; T372-E374 VanDerWaalsContact O-N 3.11Å; T372-D375 WeakPolarHBondContact CB-OD2 3.4Å; T372-D375 PolarHBondContact N-OD2 2.94Å; T372-D375 WeakPolarHBondContact O-CB 3.24Å; T372-D375 PolarHBondContact O-N 2.71Å; T372-D375 PolarHBondContact OG1-N 3.32Å; T372-D375 PolarHBondContact OG1-OD2 3.43Å; T372-Y376 WeakPolarHBondContact O-CD2 3.39Å; T372-Y376 PolarHBondContact O-N 3.04Å
373	K	90.4	Very high	91.5	Very high	180 Å²	180	79.3 Å²	79.3	78%	0.783	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-26.6	172.7	-70.1	-172.6	178.4	-177.7	0	113.8
374	E	92.5	Very high	91.4	Very high	104 Å²	104	86.9 Å²	86.9	49%	0.486	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-22.4	177	-56.7	-50.3	125.4	0	0	112.5	T372 K377 K378	T372-E374 PolarHBondContact O-N 2.7Å; T372-E374 VanDerWaalsContact O-N 3.11Å; E374-K377 IonicContact OE1-NZ 2.66Å; E374-K377 PolarHBondContact OE1-NZ 2.9Å; E374-K377 WeakPolarHBondContact OE2-CE 3.49Å; E374-K377 IonicContact OE2-NZ 2.74Å; E374-K377 PolarHBondContact OE2-NZ 3.36Å; E374-K378 WeakPolarHBondContact O-CE 3.37Å; E374-K378 WeakPolarHBondContact O-CG 3.39Å
375	D	93.4	Very high	91.3	Very high	6 Å²	6	86.3 Å²	86.3	3%	0.032	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-35	171.7	-64	-52.5	0	0	0	112	L342 R369 F371 T372 K377 K378 L383	L342-D375 HydrophobicContact CD2-CB 4.4Å; R369-D375 IonicContact CZ-OD1 2.76Å; R369-D375 VanDerWaalsContact NH2-CG 3.33Å; R369-D375 IonicContact NH2-OD1 3.64Å; R369-D375 PolarHBondContact NH2-OD1 2.93Å; R369-D375 IonicContact NH2-OD2 3.96Å; F371-D375 HydrophobicContact CB-CB 4.19Å; F371-D375 HydrophobicContact CD1-CB 3.88Å; T372-D375 WeakPolarHBondContact CB-OD2 3.4Å; T372-D375 PolarHBondContact N-OD2 2.94Å; T372-D375 WeakPolarHBondContact O-CB 3.24Å; T372-D375 PolarHBondContact O-N 2.71Å; T372-D375 PolarHBondContact OG1-N 3.32Å; T372-D375 PolarHBondContact OG1-OD2 3.43Å; D375-K377 PolarHBondContact O-N 3.35Å; D375-K377 VanDerWaalsContact O-N 3.12Å; D375-K378 WeakPolarHBondContact O-CB 3.43Å; D375-K378 PolarHBondContact O-N 2.91Å; D375-K378 IonicContact OD1-NZ 3.79Å; D375-K378 PolarHBondContact OD1-NZ 3.38Å; D375-L383 HydrophobicContact CB-CD2 3.93Å
376	Y	94	Very high	91.6	Very high	28 Å²	28	83.6 Å²	83.6	11%	0.11	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.2	176.8	-72.7	-64.2	0	0	0	113.9	L342 E343 R346 L362 F371 T372	L342-Y376 HydrophobicContact CB-CD1 4.38Å; L342-Y376 HydrophobicContact CD2-CD1 3.71Å; L342-Y376 HydrophobicContact CD2-CE1 3.82Å; L342-Y376 HydrophobicContact CD2-CG 4.42Å; L342-Y376 HydrophobicContact CG-CD1 3.72Å; L342-Y376 HydrophobicContact CG-CE1 3.98Å; L342-Y376 PolarHBondContact N-O 2.79Å; E343-Y376 WeakPolarHBondContact CB-O 3.49Å; E343-Y376 PolarHBondContact N-O 3.16Å; R346-Y376 HydrophobicContact CB-CD1 4.27Å; R346-Y376 HydrophobicContact CB-CE1 3.99Å; R346-Y376 HydrophobicContact CG-CE1 4.15Å; L362-Y376 HydrophobicContact CD1-CE1 4.27Å; L362-Y376 PolarHBondContact N-OH 3.13Å; L362-Y376 VanDerWaalsContact N-OH 3.16Å; F371-Y376 HydrophobicContact CB-CE1 4.41Å; F371-Y376 HydrophobicContact CB-CE2 4.27Å; T372-Y376 WeakPolarHBondContact O-CD2 3.39Å; T372-Y376 PolarHBondContact O-N 3.04Å
377	K	94.4	Very high	92.1	Very high	130 Å²	130	78 Å²	78	57%	0.565	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-15.4	176.7	-54.2	174.7	-162.3	164.3	0	113.8	E374 D375	E374-K377 IonicContact OE1-NZ 2.66Å; E374-K377 PolarHBondContact OE1-NZ 2.9Å; E374-K377 WeakPolarHBondContact OE2-CE 3.49Å; E374-K377 IonicContact OE2-NZ 2.74Å; E374-K377 PolarHBondContact OE2-NZ 3.36Å; D375-K377 PolarHBondContact O-N 3.35Å; D375-K377 VanDerWaalsContact O-N 3.12Å
378	K	95	Very high	92.4	Very high	82 Å²	82	76.9 Å²	76.9	36%	0.357	37%	0.368	S	S	.	.	S	Bend	trans	-83.6	155.2	-179.5	-65.8	172.3	-161.4	165.2	0	110.4	P341 L342 E374 D375 D382 L383	P341-K378 WeakPolarHBondContact CA-O 3.46Å; L342-K378 PolarHBondContact N-O 2.85Å; E374-K378 WeakPolarHBondContact O-CE 3.37Å; E374-K378 WeakPolarHBondContact O-CG 3.39Å; D375-K378 WeakPolarHBondContact O-CB 3.43Å; D375-K378 PolarHBondContact O-N 2.91Å; D375-K378 IonicContact OD1-NZ 3.79Å; D375-K378 PolarHBondContact OD1-NZ 3.38Å; K378-D382 HydrophobicContact CB-CB 4.27Å; K378-L383 HydrophobicContact CB-CD1 4.16Å; K378-L383 HydrophobicContact CB-CD2 4.09Å; K378-L383 HydrophobicContact CB-CG 3.9Å; K378-L383 HydrophobicContact CD-CD2 3.92Å
379	K	95.1	Very high	92.6	Very high	90 Å²	90	68.8 Å²	68.8	39%	0.391	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-71.5	153.2	178.9	-55.6	-176.5	162.6	-156.7	0	110.8	D339 A340 L381 D382 L383	D339-K379 HydrophobicContact CB-CD 3.99Å; D339-K379 WeakPolarHBondContact O-CD 3.37Å; D339-K379 WeakPolarHBondContact O-CE 3.44Å; D339-K379 WeakPolarHBondContact O-CG 3.44Å; A340-K379 CarbonylContact O-C 3.51Å; A340-K379 VanDerWaalsContact O-CA 3.28Å; A340-K379 WeakPolarHBondContact O-CA 3.47Å; K379-L381 PolarHBondContact O-N 2.82Å; K379-D382 HydrophobicContact CB-CB 4.38Å; K379-D382 VanDerWaalsContact CB-OD2 3.24Å; K379-D382 WeakPolarHBondContact CB-OD2 3.27Å; K379-D382 WeakPolarHBondContact CG-OD2 3.43Å; K379-D382 PolarHBondContact N-OD2 3.48Å; K379-D382 PolarHBondContact O-N 2.97Å; K379-D382 VanDerWaalsContact O-N 3.09Å; K379-L383 WeakPolarHBondContact O-CG 3.29Å; K379-L383 PolarHBondContact O-N 2.87Å
380	L	93.5	Very high	92.7	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-31.7	174.7	-65.7	174.4	0	0	0	111.9	A320 I322 F336 S338 A340 L342 A345 L385	A320-L380 HydrophobicContact CB-CB 3.93Å; A320-L380 HydrophobicContact CB-CD1 3.81Å; A320-L380 HydrophobicContact CB-CG 4.49Å; I322-L380 HydrophobicContact CD1-CD2 4.42Å; I322-L380 HydrophobicContact CG1-CD1 4.45Å; F336-L380 HydrophobicContact CB-CD1 3.49Å; F336-L380 VanDerWaalsContact CB-CD1 3.49Å; F336-L380 HydrophobicContact CD2-CD1 4.37Å; F336-L380 HydrophobicContact CG-CD1 4.09Å; S338-L380 PolarHBondContact O-N 3.16Å; A340-L380 HydrophobicContact CB-CD1 4.47Å; A340-L380 PolarHBondContact O-N 2.88Å; L342-L380 HydrophobicContact CB-CD2 4.17Å; L342-L380 HydrophobicContact CD1-CD2 3.95Å; A345-L380 HydrophobicContact CB-CD2 4.47Å; L380-L385 HydrophobicContact CB-CB 4.39Å; L380-L385 HydrophobicContact CD2-CB 4.41Å; L380-L385 HydrophobicContact CD2-CD1 3.73Å; L380-L385 WeakPolarHBondContact O-CA 3.29Å; L380-L385 WeakPolarHBondContact O-CB 3.44Å; L380-L385 PolarHBondContact O-N 2.77Å
381	L	92.3	Very high	92.7	Very high	88 Å²	88	61 Å²	61	46%	0.461	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-47.1	171.7	-171.4	146.2	0	0	0	112.9	S338 K379 L383 E384	S338-L381 WeakPolarHBondContact O-CB 3.39Å; S338-L381 PolarHBondContact O-N 3.47Å; K379-L381 PolarHBondContact O-N 2.82Å; L381-L383 PolarHBondContact O-N 3.18Å; L381-L383 VanDerWaalsContact O-N 3.09Å; L381-E384 PolarHBondContact O-N 3.14Å
382	D	92.6	Very high	92.8	Very high	94 Å²	94	62.1 Å²	62.1	50%	0.503	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-17	178.8	-49.6	-26.1	0	0	0	113.1	K378 K379	K378-D382 HydrophobicContact CB-CB 4.27Å; K379-D382 HydrophobicContact CB-CB 4.38Å; K379-D382 VanDerWaalsContact CB-OD2 3.24Å; K379-D382 WeakPolarHBondContact CB-OD2 3.27Å; K379-D382 WeakPolarHBondContact CG-OD2 3.43Å; K379-D382 PolarHBondContact N-OD2 3.48Å; K379-D382 PolarHBondContact O-N 2.97Å; K379-D382 VanDerWaalsContact O-N 3.09Å
383	L	91.4	Very high	92.8	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.026	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	4.6	179.7	-68	169.9	0	0	0	113.5	L342 R369 F371 D375 K378 K379 L381 L385	L342-L383 HydrophobicContact CB-CD1 3.54Å; L342-L383 HydrophobicContact CD2-CD1 3.82Å; L342-L383 HydrophobicContact CG-CD1 4.15Å; R369-L383 VanDerWaalsContact NH2-CD2 3.31Å; F371-L383 HydrophobicContact CE1-CD1 4.43Å; F371-L383 HydrophobicContact CE1-CD2 4.31Å; D375-L383 HydrophobicContact CB-CD2 3.93Å; K378-L383 HydrophobicContact CB-CD1 4.16Å; K378-L383 HydrophobicContact CB-CD2 4.09Å; K378-L383 HydrophobicContact CB-CG 3.9Å; K378-L383 HydrophobicContact CD-CD2 3.92Å; K379-L383 WeakPolarHBondContact O-CG 3.29Å; K379-L383 PolarHBondContact O-N 2.87Å; L381-L383 PolarHBondContact O-N 3.18Å; L381-L383 VanDerWaalsContact O-N 3.09Å; L383-L385 VanDerWaalsContact C-N 3.26Å; L383-L385 HydrophobicContact CB-CD1 3.76Å; L383-L385 HydrophobicContact CB-CG 3.73Å; L383-L385 HydrophobicContact CD1-CD1 4.03Å; L383-L385 PolarHBondContact O-N 3.05Å
384	E	91.1	Very high	92.9	Very high	162 Å²	162	52.4 Å²	52.4	76%	0.757	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	29.7	-177	-52.1	178.9	139.6	0	0	113.3	L381	L381-E384 PolarHBondContact O-N 3.14Å
385	L	90.8	Very high	92.6	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	27%	0.271	C	S	.	.			trans	-97.8	-14.5	-177.7	-51.6	175.1	0	0	0	113.9	I322 L342 T364 F371 L380 L383 S388 A389	I322-L385 HydrophobicContact CD1-CB 3.87Å; L342-L385 HydrophobicContact CD1-CD1 3.9Å; T364-L385 HydrophobicContact CG2-CD2 3.98Å; F371-L385 HydrophobicContact CE1-CD1 4.29Å; F371-L385 HydrophobicContact CZ-CD1 3.78Å; F371-L385 HydrophobicContact CZ-CD2 4.01Å; F371-L385 HydrophobicContact CZ-CG 4.47Å; L380-L385 HydrophobicContact CB-CB 4.39Å; L380-L385 HydrophobicContact CD2-CB 4.41Å; L380-L385 HydrophobicContact CD2-CD1 3.73Å; L380-L385 WeakPolarHBondContact O-CA 3.29Å; L380-L385 WeakPolarHBondContact O-CB 3.44Å; L380-L385 PolarHBondContact O-N 2.77Å; L383-L385 VanDerWaalsContact C-N 3.26Å; L383-L385 HydrophobicContact CB-CD1 3.76Å; L383-L385 HydrophobicContact CB-CG 3.73Å; L383-L385 HydrophobicContact CD1-CD1 4.03Å; L383-L385 PolarHBondContact O-N 3.05Å; L385-S388 CarbonylContact O-C 3.55Å; L385-S388 PolarHBondContact O-N 2.79Å; L385-A389 HydrophobicContact CB-CB 3.87Å; L385-A389 HydrophobicContact CD2-CB 3.66Å; L385-A389 HydrophobicContact CG-CB 4.36Å; L385-A389 PolarHBondContact O-N 2.61Å
386	A	90.2	Very high	91.7	Very high	22 Å²	22	53.1 Å²	53.1	18%	0.182	29%	0.293	C	S	.	.	S	Bend	trans	-85.7	143.2	165.8	0	0	0	0	0	110.1	A320	A320-A386 HydrophobicContact CB-CB 4.03Å
387	P	91.2	Very high	90	Very high	68 Å²	68	55.5 Å²	55.5	44%	0.442	33%	0.327	S	S	.	.	S	Bend	cis	-82.4	-15.5	0.8	35.4	-38.2	0	0	0	113.6	R316 R321	R316-P387 HydrophobicContact CB-CB 4.34Å; R316-P387 WeakPolarHBondContact O-CB 3.38Å; R321-P387 PolarHBondContact N-O 2.82Å
388	S	91.7	Very high	88.2	Confident	81 Å²	81	59.2 Å²	59.2	57%	0.566	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156	132.8	-178.4	61.9	0	0	0	0	112.7	R321 L385	R321-S388 VanDerWaalsContact O-CA 3.28Å; R321-S388 WeakPolarHBondContact O-CA 3.49Å; L385-S388 CarbonylContact O-C 3.55Å; L385-S388 PolarHBondContact O-N 2.79Å
389	A	92.7	Very high	86.2	Confident	22 Å²	22	60.5 Å²	60.5	18%	0.182	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	157.6	177.7	0	0	0	0	0	112.5	R321 I322 Q323 L385	R321-A389 PolarHBondContact O-N 3.05Å; R321-A389 VanDerWaalsContact O-N 3.1Å; I322-A389 HydrophobicContact CD1-CB 3.99Å; Q323-A389 PolarHBondContact N-O 2.91Å; L385-A389 HydrophobicContact CB-CB 3.87Å; L385-A389 HydrophobicContact CD2-CB 3.66Å; L385-A389 HydrophobicContact CG-CB 4.36Å; L385-A389 PolarHBondContact O-N 2.61Å
390	S	94.1	Very high	84.1	Confident	31 Å²	31	59 Å²	59	22%	0.217	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.8	170.1	-163.1	0	0	0	0	110.2	Q323 R325	Q323-S390 WeakPolarHBondContact O-CA 3.21Å; Q323-S390 PolarHBondContact OE1-OG 3.29Å; R325-S390 WeakPolarHBondContact CD-OG 3.42Å; R325-S390 PolarHBondContact NE-OG 2.89Å
391	V	94.6	Very high	81.9	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.006	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.7	-173.1	179.4	0	0	0	0	108.4	I322 Q323 F324 R325 L362 A363 F371	I322-V391 HydrophobicContact CG2-CB 4.34Å; I322-V391 HydrophobicContact CG2-CG2 3.91Å; Q323-V391 PolarHBondContact O-N 2.81Å; F324-V391 CarbonylContact C-O 3.57Å; F324-V391 WeakPolarHBondContact CA-O 3.2Å; R325-V391 PolarHBondContact N-O 3.44Å; L362-V391 HydrophobicContact CB-CG1 3.7Å; L362-V391 HydrophobicContact CD1-CG1 4.22Å; L362-V391 HydrophobicContact CD2-CG1 4.03Å; L362-V391 HydrophobicContact CG-CG1 4.19Å; A363-V391 CarbonylContact O-C 3.51Å; A363-V391 WeakPolarHBondContact O-CA 3.44Å; F371-V391 HydrophobicContact CE2-CG1 4.09Å; F371-V391 HydrophobicContact CE2-CG2 4.28Å
392	V	94.7	Very high	80	Confident	32 Å²	32	63 Å²	63	19%	0.194	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.8	175.8	-172.5	0	0	0	0	109.7	R325 L362 A363 M365 L394	R325-V392 HydrophobicContact CB-CG2 4.34Å; L362-V392 WeakPolarHBondContact CA-O 3.42Å; A363-V392 PolarHBondContact N-O 3.14Å; A363-V392 PolarHBondContact O-N 3.07Å; M365-V392 HydrophobicContact CG-CG2 3.75Å; M365-V392 HydrophobicContact SD-CG2 3.4Å; M365-V392 WeakPolarHBondContact SD-CG2 3.47Å; V392-L394 HydrophobicContact CG1-CD2 4.05Å
393	L	93.7	Very high	77.7	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.01	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.1	169	-172.4	146	0	0	0	109.5	R325 L326 P327 V353 Y357 F360 L362	R325-L393 PolarHBondContact O-N 3.03Å; L326-L393 HydrophobicContact CD2-CB 4.06Å; L326-L393 HydrophobicContact CD2-CD1 3.88Å; L326-L393 HydrophobicContact CD2-CD2 4.36Å; L326-L393 HydrophobicContact CD2-CG 4.32Å; P327-L393 HydrophobicContact CG-CD2 4.31Å; V353-L393 HydrophobicContact CG1-CD1 4.09Å; V353-L393 HydrophobicContact CG2-CD1 4.25Å; Y357-L393 HydrophobicContact CD1-CD2 4.44Å; Y357-L393 HydrophobicContact CD2-CD2 3.92Å; Y357-L393 HydrophobicContact CG-CD2 3.78Å; F360-L393 HydrophobicContact CB-CD1 4.36Å; F360-L393 HydrophobicContact CB-CD2 3.68Å; F360-L393 HydrophobicContact CB-CG 3.81Å; F360-L393 HydrophobicContact CD1-CD1 3.95Å; F360-L393 HydrophobicContact CD1-CD2 4.43Å; F360-L393 HydrophobicContact CD1-CG 4.33Å; F360-L393 HydrophobicContact CD2-CD1 3.56Å; F360-L393 HydrophobicContact CD2-CD2 4.37Å; F360-L393 HydrophobicContact CD2-CG 3.58Å; F360-L393 HydrophobicContact CE1-CD1 4.09Å; F360-L393 HydrophobicContact CE2-CD1 3.72Å; F360-L393 HydrophobicContact CE2-CG 4.22Å; F360-L393 HydrophobicContact CG-CD1 3.68Å; F360-L393 HydrophobicContact CG-CD2 3.92Å; F360-L393 HydrophobicContact CG-CG 3.64Å; F360-L393 HydrophobicContact CZ-CD1 3.98Å; L362-L393 HydrophobicContact CD2-CB 4.37Å
394	L	91.1	Very high	75.3	Confident	47 Å²	47	70.9 Å²	70.9	25%	0.246	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	107.9	-179.1	-62.7	179.6	0	0	0	109.7	F360 S361 A363 E370 V392 A396	F360-L394 CarbonylContact C-O 3.6Å; F360-L394 VanDerWaalsContact CA-O 3.25Å; F360-L394 WeakPolarHBondContact CA-O 3.49Å; F360-L394 WeakPolarHBondContact CB-O 3.37Å; S361-L394 PolarHBondContact N-O 3.28Å; S361-L394 PolarHBondContact O-N 3.45Å; A363-L394 HydrophobicContact CB-CD1 3.63Å; A363-L394 HydrophobicContact CB-CG 4.25Å; E370-L394 HydrophobicContact CG-CD1 4.12Å; V392-L394 HydrophobicContact CG1-CD2 4.05Å; L394-A396 PolarHBondContact O-N 2.86Å
395	P	86.8	Confident	73	Confident	64 Å²	64	71.1 Å²	71.1	42%	0.416	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.9	-177.9	29.9	-34.3	0	0	0	111.1	P327 Y357	P327-P395 HydrophobicContact CG-CG 3.84Å; Y357-P395 HydrophobicContact CD1-CB 4.05Å; Y357-P395 HydrophobicContact CD1-CG 4.47Å
396	A	74.8	Confident	70.4	Confident	61 Å²	61	76.4 Å²	76.4	50%	0.504	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	102.1	165.7	0	0	0	0	0	107.8	N359 L394 R398	N359-A396 CarbonylContact O-C 3.48Å; N359-A396 WeakPolarHBondContact O-CA 3.4Å; N359-A396 VanDerWaalsContact O-CB 3.26Å; N359-A396 WeakPolarHBondContact O-CB 3.36Å; N359-A396 PolarHBondContact O-N 3.33Å; N359-A396 VanDerWaalsContact O-O 3.07Å; L394-A396 PolarHBondContact O-N 2.86Å; A396-R398 VanDerWaalsContact C-N 3.28Å; A396-R398 PolarHBondContact O-N 3.45Å
397	G	57.9	Low	68.7	Low	79 Å²	79	80.8 Å²	80.8	81%	0.814	51%	0.507	S	S	*	.	S	Bend	trans	-64.8	63.2	-159.4	0	0	0	0	0	118.1
398	R	57.8	Low	66.8	Low	207 Å²	207	83.3 Å²	83.3	78%	0.781	53%	0.526	S	S	*	.			trans	-141.2	122.1	163	-64.9	-171.3	-179.1	-170.2	-0.2	109.2	N359 A396	N359-R398 PolarHBondContact N-O 3.05Å; A396-R398 VanDerWaalsContact C-N 3.28Å; A396-R398 PolarHBondContact O-N 3.45Å
399	P	51.8	Low	64.9	Low	109 Å²	109	82 Å²	82	71%	0.708	53%	0.525	S	S	*	.			trans	-71.8	137.4	177.1	29.5	-33.8	0	0	0	111.3
400	T	51.8	Low	63.1	Low	59 Å²	59	87.4 Å²	87.4	36%	0.362	55%	0.551	S	S	.	*			trans	-91	131.3	170.2	40.4	0	0	0	0	110.4	N355 N359 S402	N355-T400 PolarHBondContact OD1-O 2.85Å; N359-T400 WeakPolarHBondContact ND2-CG2 3.21Å; N359-T400 WeakPolarHBondContact OD1-CG2 3.33Å; T400-S402 PolarHBondContact O-N 2.95Å; T400-S402 VanDerWaalsContact O-N 3.16Å
401	A	47.9	Very low	61.3	Low	109 Å²	109	92.8 Å²	92.8	90%	0.901	58%	0.576	S	S	*	*			trans	-74.3	103.1	172.1	0	0	0	0	0	110.4
402	S	50.5	Low	59.2	Low	62 Å²	62	103 Å²	103	43%	0.434	61%	0.614	S	S	.	*			trans	-94.2	118.1	173.5	63.1	0	0	0	0	110.8	N355 T400 V404	N355-S402 PolarHBondContact ND2-OG 2.98Å; T400-S402 PolarHBondContact O-N 2.95Å; T400-S402 VanDerWaalsContact O-N 3.16Å; S402-V404 PolarHBondContact O-N 3.37Å
403	I	44.5	Very low	57.4	Low	144 Å²	144	105.9 Å²	105.9	74%	0.738	63%	0.632	S	S	*	*			trans	-76.4	116.3	170.4	-62.9	172.7	0	0	0	108.2	H405	I403-H405 PolarHBondContact O-N 3.38Å
404	V	42.3	Very low	55.5	Low	122 Å²	122	111.5 Å²	111.5	74%	0.739	66%	0.661	S	S	*	*			trans	-86.5	105.9	178	-177.7	0	0	0	0	109.2	S402 S406	S402-V404 PolarHBondContact O-N 3.37Å; V404-S406 PolarHBondContact O-N 2.87Å
405	H	42.2	Very low	53.8	Low	167 Å²	167	115 Å²	115	77%	0.773	68%	0.68	S	S	*	*			trans	-84.7	97.6	167.9	-70.5	134.7	0	0	0	110.2	I403 S407	I403-H405 PolarHBondContact O-N 3.38Å; H405-S407 PolarHBondContact O-N 3.01Å; H405-S407 VanDerWaalsContact O-N 3.08Å
406	S	35.9	Very low	52.1	Low	116 Å²	116	114.1 Å²	114.1	81%	0.811	68%	0.682	S	S	*	*			trans	-73.4	91.5	172.5	52.4	0	0	0	0	110.7	V404	V404-S406 PolarHBondContact O-N 2.87Å
407	S	55.3	Low	51.4	Low	114 Å²	114	116.1 Å²	116.1	80%	0.797	69%	0.688	S	S	*	*			trans	-107.1	37.7	-172.8	-172.1	0	0	0	0	114.5	H405	H405-S407 PolarHBondContact O-N 3.01Å; H405-S407 VanDerWaalsContact O-N 3.08Å
408	S	51.7	Low	51.5	Low	121 Å²	121	117.5 Å²	117.5	85%	0.846	68%	0.681	S	S	*	*	S	Bend	trans	-169.1	125.7	164.9	49	0	0	0	0	110.9
409	G	51.7	Low	51.4	Low	52 Å²	52	112.7 Å²	112.7	54%	0.536	67%	0.67	S	S	.	*			trans	174.6	-41.1	176.3	0	0	0	0	0	118.1	I411 W412	G409-I411 PolarHBondContact O-N 3.23Å; G409-W412 PolarHBondContact O-N 3.4Å
410	D	53.8	Low	51.8	Low	136 Å²	136	115.8 Å²	115.8	73%	0.727	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	9.8	-162	-70.6	-36.3	0	0	0	117.9
411	I	56.8	Low	52.1	Low	145 Å²	145	116.3 Å²	116.3	74%	0.744	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-33.1	179.9	-55.2	177.8	0	0	0	111.5	G409	G409-I411 PolarHBondContact O-N 3.23Å
412	W	50.8	Low	52.8	Low	215 Å²	215	118.5 Å²	118.5	81%	0.814	66%	0.662	S	S	*	*	H	α-helix	trans	-82.7	-27.8	-176	-88.6	86.9	0	0	0	114.2	G409 G416	G409-W412 PolarHBondContact O-N 3.4Å; W412-G416 PolarHBondContact O-N 2.89Å
413	T	55.9	Low	53.4	Low	92 Å²	92	120.3 Å²	120.3	56%	0.564	67%	0.666	S	S	*	*	H	α-helix	trans	-65.2	-47.9	177.7	45.4	0	0	0	0	111.7	L415 G416 T417	T413-L415 PolarHBondContact O-N 3.26Å; T413-G416 PolarHBondContact O-N 2.85Å; T413-T417 PolarHBondContact O-N 2.85Å; T413-T417 PolarHBondContact O-OG1 2.74Å
414	L	54.9	Low	54.1	Low	121 Å²	121	115.7 Å²	115.7	63%	0.634	65%	0.65	S	S	*	*	H	α-helix	trans	-65.4	-37.3	179.9	-70.2	170.7	0	0	0	113	T417	L414-T417 PolarHBondContact O-N 3.35Å; L414-T417 PolarHBondContact O-OG1 2.86Å
415	L	54.3	Low	55.2	Low	121 Å²	121	114.7 Å²	114.7	63%	0.634	64%	0.639	S	S	*	*	H	α-helix	trans	-71.1	-35.2	-179.3	-155.8	69.6	0	0	0	112	T413 T417 V418	T413-L415 PolarHBondContact O-N 3.26Å; L415-T417 PolarHBondContact O-N 3.45Å; L415-V418 PolarHBondContact O-N 3.14Å
416	G	50.8	Low	56.2	Low	45 Å²	45	116 Å²	116	46%	0.464	64%	0.638	S	S	.	*	H	α-helix	trans	-61.9	-39.3	174.7	0	0	0	0	0	113.4	W412 T413 V418 Y420	W412-G416 PolarHBondContact O-N 2.89Å; T413-G416 PolarHBondContact O-N 2.85Å; G416-V418 VanDerWaalsContact C-N 3.29Å; G416-V418 PolarHBondContact O-N 2.71Å; G416-Y420 PolarHBondContact O-N 3.16Å
417	T	60.5	Low	57.5	Low	102 Å²	102	118.9 Å²	118.9	63%	0.626	63%	0.631	S	S	*	*	H	α-helix	trans	-66.7	-24.2	-179.9	37.2	0	0	0	0	114.7	T413 L414 L415	T413-T417 PolarHBondContact O-N 2.85Å; T413-T417 PolarHBondContact O-OG1 2.74Å; L414-T417 PolarHBondContact O-N 3.35Å; L414-T417 PolarHBondContact O-OG1 2.86Å; L415-T417 PolarHBondContact O-N 3.45Å
418	V	60.3	Low	58	Low	109 Å²	109	119.9 Å²	119.9	66%	0.661	63%	0.626	S	S	*	*	H	α-helix	trans	-86.6	-33.5	-179.5	-179	0	0	0	0	112.2	L415 G416 P421	L415-V418 PolarHBondContact O-N 3.14Å; G416-V418 VanDerWaalsContact C-N 3.29Å; G416-V418 PolarHBondContact O-N 2.71Å; V418-P421 WeakPolarHBondContact O-CD 3.29Å
419	L	56.4	Low	58.7	Low	105 Å²	105	118.5 Å²	118.5	55%	0.55	61%	0.609	S	S	.	*	H	α-helix	trans	-90.3	-20.2	-173.7	-160.1	65.3	0	0	0	114.2	F422 L423	L419-F422 PolarHBondContact O-N 3.34Å; L419-L423 HydrophobicContact CD2-CD1 4.39Å; L419-L423 HydrophobicContact CG-CD1 4.27Å; L419-L423 HydrophobicContact CG-CG 4.41Å; L419-L423 PolarHBondContact O-N 2.97Å
420	Y	59.7	Low	58.9	Low	175 Å²	175	118.1 Å²	118.1	69%	0.686	60%	0.598	S	S	*	*	H	α-helix	trans	-51.6	-46.5	178.2	-167.8	-101	0	0	0	115.4	G416 F422 L423 A424	G416-Y420 PolarHBondContact O-N 3.16Å; Y420-F422 VanDerWaalsContact C-N 3.33Å; Y420-F422 PolarHBondContact O-N 3.08Å; Y420-L423 PolarHBondContact O-N 2.87Å; Y420-A424 PolarHBondContact O-N 2.85Å
421	P	58	Low	59	Low	69 Å²	69	117 Å²	117	45%	0.448	59%	0.592	S	S	.	*	H	α-helix	trans	-62.9	-35.4	179.7	23.2	-34.2	0	0	0	113.5	V418 A424 I425	V418-P421 WeakPolarHBondContact O-CD 3.29Å; P421-A424 PolarHBondContact O-N 3.12Å; P421-I425 WeakPolarHBondContact O-CG1 3.41Å; P421-I425 PolarHBondContact O-N 3.28Å; P421-I425 VanDerWaalsContact O-N 3.17Å
422	F	63.3	Low	59.3	Low	156 Å²	156	119.2 Å²	119.2	68%	0.684	60%	0.596	S	S	*	*	H	α-helix	trans	-66.5	-43.2	175.9	-100.6	-90.6	0	0	0	112	L419 Y420 A424 I425 W426	L419-F422 PolarHBondContact O-N 3.34Å; Y420-F422 VanDerWaalsContact C-N 3.33Å; Y420-F422 PolarHBondContact O-N 3.08Å; F422-A424 VanDerWaalsContact C-N 3.33Å; F422-A424 PolarHBondContact O-N 3.46Å; F422-I425 PolarHBondContact O-N 3.41Å; F422-W426 PolarHBondContact O-N 2.92Å
423	L	61.5	Low	59.8	Low	99 Å²	99	114.9 Å²	114.9	52%	0.518	59%	0.588	S	S	.	*	H	α-helix	trans	-67.4	-33.6	177.9	-66.9	171.4	0	0	0	112.3	L419 Y420 W426 R427	L419-L423 HydrophobicContact CD2-CD1 4.39Å; L419-L423 HydrophobicContact CG-CD1 4.27Å; L419-L423 HydrophobicContact CG-CG 4.41Å; L419-L423 PolarHBondContact O-N 2.97Å; Y420-L423 PolarHBondContact O-N 2.87Å; L423-W426 PolarHBondContact O-N 3.15Å; L423-R427 WeakPolarHBondContact O-CB 3.49Å; L423-R427 PolarHBondContact O-N 3.34Å
424	A	59.3	Low	59.8	Low	48 Å²	48	119.7 Å²	119.7	40%	0.397	60%	0.602	S	S	.	*	H	α-helix	trans	-64.9	-43.5	174.1	0	0	0	0	0	112.3	Y420 P421 F422 R427 L428	Y420-A424 PolarHBondContact O-N 2.85Å; P421-A424 PolarHBondContact O-N 3.12Å; F422-A424 VanDerWaalsContact C-N 3.33Å; F422-A424 PolarHBondContact O-N 3.46Å; A424-R427 PolarHBondContact O-N 3.41Å; A424-L428 PolarHBondContact O-N 3.41Å
425	I	66	Low	58.9	Low	100 Å²	100	118.8 Å²	118.8	51%	0.513	61%	0.606	S	S	.	*	H	α-helix	trans	-63.9	-44	175.9	-66.5	164.1	0	0	0	110.6	P421 F422 R427 L428 I429	P421-I425 WeakPolarHBondContact O-CG1 3.41Å; P421-I425 PolarHBondContact O-N 3.28Å; P421-I425 VanDerWaalsContact O-N 3.17Å; F422-I425 PolarHBondContact O-N 3.41Å; I425-R427 VanDerWaalsContact C-N 3.33Å; I425-R427 PolarHBondContact O-N 3.26Å; I425-L428 PolarHBondContact O-N 3.36Å; I425-L428 VanDerWaalsContact O-N 3.15Å; I425-I429 HydrophobicContact CG2-CD1 3.93Å; I425-I429 WeakPolarHBondContact O-CG1 3.23Å; I425-I429 PolarHBondContact O-N 2.94Å; I425-I429 VanDerWaalsContact O-N 3.08Å
426	W	64.1	Low	58.1	Low	196 Å²	196	120.5 Å²	120.5	74%	0.742	62%	0.615	S	S	*	*	H	α-helix	trans	-60.1	-41.7	176.4	-168.8	-94.1	0	0	0	112.3	F422 L423 L428 I429 S430	F422-W426 PolarHBondContact O-N 2.92Å; L423-W426 PolarHBondContact O-N 3.15Å; W426-L428 VanDerWaalsContact C-N 3.34Å; W426-L428 PolarHBondContact O-N 3.49Å; W426-I429 PolarHBondContact O-N 3.13Å; W426-S430 PolarHBondContact O-N 2.67Å; W426-S430 PolarHBondContact O-OG 2.7Å
427	R	63.3	Low	58.1	Low	176 Å²	176	123.5 Å²	123.5	66%	0.664	63%	0.627	S	S	*	*	H	α-helix	trans	-64.6	-32	174.4	-98.6	-73.4	-178.3	83.7	-2.5	113.9	L423 A424 I425 S430 N431	L423-R427 WeakPolarHBondContact O-CB 3.49Å; L423-R427 PolarHBondContact O-N 3.34Å; A424-R427 PolarHBondContact O-N 3.41Å; I425-R427 VanDerWaalsContact C-N 3.33Å; I425-R427 PolarHBondContact O-N 3.26Å; R427-S430 WeakPolarHBondContact CA-OG 3.37Å; R427-S430 PolarHBondContact O-OG 2.81Å; R427-S430 VanDerWaalsContact O-OG 3.06Å; R427-N431 PolarHBondContact O-N 3.08Å; R427-N431 PolarHBondContact O-OD1 2.9Å
428	L	66	Low	57.3	Low	134 Å²	134	124.4 Å²	124.4	70%	0.702	63%	0.634	S	S	*	*	H	α-helix	trans	-71.2	-42.5	176.4	-172.1	63.5	0	0	0	111	A424 I425 W426	A424-L428 PolarHBondContact O-N 3.41Å; I425-L428 PolarHBondContact O-N 3.36Å; I425-L428 VanDerWaalsContact O-N 3.15Å; W426-L428 VanDerWaalsContact C-N 3.34Å; W426-L428 PolarHBondContact O-N 3.49Å
429	I	64.7	Low	56.5	Low	93 Å²	93	124.9 Å²	124.9	48%	0.477	64%	0.64	S	S	.	*	H	α-helix	trans	-66.9	-44	177.9	-64.3	166.1	0	0	0	111	I425 W426 N431 F432 L433	I425-I429 HydrophobicContact CG2-CD1 3.93Å; I425-I429 WeakPolarHBondContact O-CG1 3.23Å; I425-I429 PolarHBondContact O-N 2.94Å; I425-I429 VanDerWaalsContact O-N 3.08Å; W426-I429 PolarHBondContact O-N 3.13Å; I429-N431 PolarHBondContact O-N 3.04Å; I429-F432 PolarHBondContact O-N 2.93Å; I429-F432 VanDerWaalsContact O-N 3.14Å; I429-L433 HydrophobicContact CG2-CD1 4Å
430	S	57	Low	55.5	Low	44 Å²	44	126.3 Å²	126.3	31%	0.308	65%	0.653	S	S	.	*	H	α-helix	trans	-59.9	-35.7	179.9	64.3	0	0	0	0	112.9	W426 R427 F432	W426-S430 PolarHBondContact O-N 2.67Å; W426-S430 PolarHBondContact O-OG 2.7Å; R427-S430 WeakPolarHBondContact CA-OG 3.37Å; R427-S430 PolarHBondContact O-OG 2.81Å; R427-S430 VanDerWaalsContact O-OG 3.06Å; S430-F432 VanDerWaalsContact C-N 3.31Å; S430-F432 PolarHBondContact O-N 2.79Å
431	N	55.4	Low	54.6	Low	113 Å²	113	127.1 Å²	127.1	60%	0.604	66%	0.663	S	S	*	*	H	α-helix	trans	-77.1	-14.6	-178.5	-69.7	3.3	0	0	0	113.5	R427 I429	R427-N431 PolarHBondContact O-N 3.08Å; R427-N431 PolarHBondContact O-OD1 2.9Å; I429-N431 PolarHBondContact O-N 3.04Å
432	F	64.1	Low	53.3	Low	190 Å²	190	130.9 Å²	130.9	83%	0.833	69%	0.685	S	S	*	*	H	α-helix	trans	-91.8	-18.6	178.9	-153.8	-94.4	0	0	0	113.2	I429 S430	I429-F432 PolarHBondContact O-N 2.93Å; I429-F432 VanDerWaalsContact O-N 3.14Å; S430-F432 VanDerWaalsContact C-N 3.31Å; S430-F432 PolarHBondContact O-N 2.79Å
433	L	60	Low	52.1	Low	124 Å²	124	128.8 Å²	128.8	65%	0.649	69%	0.69	S	S	*	*	H	α-helix	trans	-100.8	-18.3	-175.1	-80.4	159.1	0	0	0	114.7	I429	I429-L433 HydrophobicContact CG2-CD1 4Å
434	F	55.4	Low	50.6	Low	193 Å²	193	130.9 Å²	130.9	85%	0.846	71%	0.707	S	S	*	*	S	Bend	trans	-130.8	67.5	-178.7	-72.5	-83.6	0	0	0	111.8
435	S	36.6	Very low	49.2	Very low	102 Å²	102	139.3 Å²	139.3	71%	0.713	73%	0.728	S	S	*	*			trans	-105.1	124.2	174.8	-172.3	0	0	0	0	111.4
436	N	37.5	Very low	47.6	Very low	157 Å²	157	139.7 Å²	139.7	84%	0.84	74%	0.735	S	S	*	*			trans	-149.7	143.6	160.1	-116.3	-21.8	0	0	0	109
437	P	51.1	Low	46	Very low	109 Å²	109	136 Å²	136	71%	0.708	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-93	152.8	-159.1	34.9	-36.7	0	0	0	115.2
438	P	44	Very low	44.4	Very low	120 Å²	120	132.8 Å²	132.8	78%	0.779	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-91.9	143.7	169.3	35.4	-32.5	0	0	0	112.7
439	P	43.8	Very low	42.7	Very low	120 Å²	120	132.5 Å²	132.5	78%	0.779	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-83.4	121.7	172.5	31.5	-32.2	0	0	0	113.1
440	T	34.8	Very low	40.9	Very low	135 Å²	135	136.8 Å²	136.8	83%	0.828	77%	0.766	S	S	*	*			trans	28.9	117.6	144.3	56.3	0	0	0	0	120.4
441	Q	40.4	Very low	41	Very low	192 Å²	192	139.4 Å²	139.4	90%	0.897	78%	0.782	S	S	*	*			trans	-80.9	157.3	154.4	-59	175.2	18	0	0	111
442	T	30.6	Very low	40.3	Very low	148 Å²	148	140 Å²	140	91%	0.908	79%	0.791	S	S	*	*			trans	-122.4	148	155.2	41	0	0	0	0	110.4
443	S	38	Very low	38.9	Very low	111 Å²	111	138.2 Å²	138.2	78%	0.776	79%	0.791	S	S	*	*			trans	-106.9	155.4	-169.4	178.5	0	0	0	0	111.5
444	V	31.2	Very low	38.2	Very low	144 Å²	144	138.1 Å²	138.1	87%	0.873	80%	0.797	S	S	*	*				-171.7	167.2	127.1	142.3	0	0	0	0	110.3
445	R	29.5	Very low	36.9	Very low	224 Å²	224	132.7 Å²	132.7	85%	0.845	79%	0.789	S	S	*	*			trans	-131.9	171.4	-163.2	-179.9	-165.2	172.4	-169.3	-0.9	109.5
446	V	32	Very low	36.4	Very low	109 Å²	109	133 Å²	133	66%	0.661	79%	0.791	S	S	*	*			trans	108.8	93	152.9	-174.4	0	0	0	0	118.5
447	T	30.8	Very low	36.1	Very low	119 Å²	119	131 Å²	131	73%	0.73	79%	0.789	S	S	*	*			trans	58.6	130.6	133.2	68.7	0	0	0	0	126.2
448	S	29.4	Very low	35.1	Very low	107 Å²	107	130.8 Å²	130.8	75%	0.748	79%	0.79	S	S	*	*				69.8	122.1	126.4	68	0	0	0	0	123.7
449	S	29.6	Very low	34.4	Very low	128 Å²	128	135.4 Å²	135.4	90%	0.895	80%	0.798	S	S	*	*				-166.8	164.1	124	14.3	0	0	0	0	110.6
450	E	28.1	Very low	33.8	Very low	183 Å²	183	134.9 Å²	134.9	86%	0.855	80%	0.797	S	S	*	*			trans	-118.7	-165.8	-177.6	-142.4	-159.6	114.8	0	0	111.1
451	P	58.4	Low	33.6	Very low	100 Å²	100	135.5 Å²	135.5	65%	0.649	79%	0.79	S	S	*	*				-103.7	-172.6	-129.4	42.3	-25.8	0	0	0	113.6
452	P	41.9	Very low	33	Very low	124 Å²	124	134.1 Å²	134.1	81%	0.805	78%	0.781	S	S	*	*				-149.2	159.3	89.9	39.7	-22.5	0	0	0	117.1
453	N	33.6	Very low	33	Very low	154 Å²	154	137.1 Å²	137.1	82%	0.824	78%	0.776	S	S	*	*			trans	-82	170.3	157.5	-100.5	-40.1	0	0	0	109.7
454	P	45.5	Very low	32.7	Very low	121 Å²	121	138.7 Å²	138.7	79%	0.786	77%	0.771	S	S	*	*			cis	-136.9	-150.1	34.3	32.4	-4.8	0	0	0	112
455	A	27.2	Very low	33.8	Very low	80 Å²	80	137.1 Å²	137.1	66%	0.661	76%	0.764	S	S	*	*			cis	-160.6	151.4	12.7	0	0	0	0	0	116.4
456	S	28	Very low	33.7	Very low	109 Å²	109	131.8 Å²	131.8	76%	0.762	76%	0.756	S	S	*	*			trans	29.5	120.7	143.5	62.6	0	0	0	0	123
457	S	30.4	Very low	33.6	Very low	113 Å²	113	137.7 Å²	137.7	79%	0.79	77%	0.766	S	S	*	*				-169.9	129.3	106	42.2	0	0	0	0	109.3
458	S	29.3	Very low	33.9	Very low	105 Å²	105	140.9 Å²	140.9	73%	0.734	77%	0.77	S	S	*	*			cis	79.5	82.7	42.3	81.8	0	0	0	0	115.2
459	K	29.7	Very low	34	Very low	218 Å²	218	147.4 Å²	147.4	95%	0.948	78%	0.778	S	S	*	*			trans	-150.4	141.5	143.6	-111.9	164.6	-172.1	175.7	0	111.1
460	S	31.4	Very low	34.1	Very low	108 Å²	108	147.3 Å²	147.3	76%	0.755	77%	0.772	S	S	*	*			trans	-123.2	-168.2	-177.6	53.5	0	0	0	0	109.8
461	E	31	Very low	34.6	Very low	149 Å²	149	146.1 Å²	146.1	70%	0.696	77%	0.771	S	S	*	*			trans	83.2	141.9	-177.3	-49	-153.7	149.3	0	0	115.2
462	K	26.9	Very low	33.2	Very low	162 Å²	162	149.3 Å²	149.3	70%	0.704	78%	0.777	S	S	*	*			cis	-155.4	161.1	-8.3	-120.9	166.3	-166	149.7	0	112.7
463	R	30.9	Very low	33.5	Very low	211 Å²	211	153 Å²	153	80%	0.796	78%	0.78	S	S	*	*			trans	-53.4	162.4	161	-61.7	167	91.9	151.6	7.5	111.3
464	E	31.6	Very low	33.5	Very low	144 Å²	144	156 Å²	156	67%	0.673	78%	0.78	S	S	*	*			cis	-162.4	-168.5	1.7	-120.1	173.4	-134.2	0	0	108.7
465	P	54.8	Low	33	Very low	111 Å²	111	152.5 Å²	152.5	72%	0.721	77%	0.767	S	S	*	*			trans	-92.6	-137.9	-163.7	41	-41.3	0	0	0	115
466	V	27.3	Very low	34.1	Very low	112 Å²	112	156.1 Å²	156.1	68%	0.679	78%	0.775	S	S	*	*			trans	90.2	137.4	-179.5	-173.2	0	0	0	0	112.6
467	R	29.2	Very low	34.9	Very low	234 Å²	234	155.1 Å²	155.1	88%	0.883	76%	0.761	S	S	*	*			cis	-149.2	168.2	17.8	-141.9	151.9	-138.6	137.8	-0.5	113.3
468	K	37.8	Very low	35.7	Very low	186 Å²	186	155.8 Å²	155.8	81%	0.809	75%	0.75	S	S	*	*			trans	-81.1	145.2	163.1	-65.8	180	178.8	179.3	0	112.6
469	R	32.4	Very low	36.9	Very low	244 Å²	244	158.3 Å²	158.3	92%	0.921	75%	0.747	S	S	*	*			trans	-145.7	135.6	140.5	-64.7	-174.3	-172.8	148.2	1.4	105.6
470	V	30.8	Very low	37.7	Very low	125 Å²	125	154.3 Å²	154.3	76%	0.758	73%	0.73	S	S	*	*			cis	77	107	25.9	-171.8	0	0	0	0	114.1
471	L	37.5	Very low	38.6	Very low	159 Å²	159	155.4 Å²	155.4	83%	0.832	72%	0.723	S	S	*	*			trans	61.3	107	158.3	-157.7	78.7	0	0	0	118.7
472	E	30.3	Very low	40.4	Very low	167 Å²	167	151.1 Å²	151.1	78%	0.78	72%	0.719	S	S	*	*				-141.4	137.5	117.2	-145.7	-178.9	-172.6	0	0	109.9
473	K	47.7	Very low	41.9	Very low	201 Å²	201	153.4 Å²	153.4	87%	0.874	73%	0.729	S	S	*	*			trans	-116.9	113.4	-179.3	174.7	-168.3	177.1	-172.6	0	106.9
474	R	33	Very low	42.9	Very low	216 Å²	216	148.8 Å²	148.8	82%	0.815	72%	0.719	S	S	*	*			trans	-129.9	122.1	-168.6	-167.8	172.8	-175	122.3	1.2	113.5
475	G	36.6	Very low	44.2	Very low	49 Å²	49	148.7 Å²	148.7	51%	0.505	71%	0.714	S	S	.	*			trans	45.4	100.4	156.4	0	0	0	0	0	119.2	D477	G475-D477 VanDerWaalsContact C-N 3.27Å; G475-D477 WeakPolarHBondContact CA-OD2 3.45Å; G475-D477 PolarHBondContact O-N 2.9Å
476	D	48.5	Very low	44.7	Very low	155 Å²	155	153.2 Å²	153.2	83%	0.829	72%	0.716	S	S	*	*			trans	-93.9	55	169	-163.6	7	0	0	0	110.4
477	D	46.1	Very low	45.8	Very low	89 Å²	89	154.7 Å²	154.7	48%	0.476	72%	0.72	S	S	.	*			trans	-107.6	4.8	-163.6	-63.4	-65.8	0	0	0	114.1	G475	G475-D477 VanDerWaalsContact C-N 3.27Å; G475-D477 WeakPolarHBondContact CA-OD2 3.45Å; G475-D477 PolarHBondContact O-N 2.9Å
478	F	47.6	Very low	46.6	Very low	127 Å²	127	152.7 Å²	152.7	56%	0.557	71%	0.712	S	S	*	*			trans	-122.3	96.3	-175.1	-68.1	-77.1	0	0	0	112.9	K480 L487	F478-K480 PolarHBondContact O-N 2.81Å; F478-L487 HydrophobicContact CE1-CD1 4.18Å; F478-L487 HydrophobicContact CZ-CD1 4.36Å
479	K	52.9	Low	47.3	Very low	157 Å²	157	148.6 Å²	148.6	68%	0.683	70%	0.703	S	S	*	*			trans	-77.9	111.1	170.3	-149.6	-173.8	178.5	-135	0	109.4	E481	K479-E481 IonicContact NZ-OE1 3.72Å; K479-E481 PolarHBondContact NZ-OE1 3.28Å
480	K	48.5	Very low	47.9	Very low	135 Å²	135	146.5 Å²	146.5	59%	0.587	70%	0.704	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.6	109.8	-177	-176.9	-176.8	179.7	178.6	0	111.4	F478 G482 Y485	F478-K480 PolarHBondContact O-N 2.81Å; K480-G482 VanDerWaalsContact CE-O 3.3Å; K480-G482 WeakPolarHBondContact CE-O 3.22Å; K480-Y485 HydrophobicContact CB-CE1 4.08Å; K480-Y485 HydrophobicContact CD-CE1 4.01Å; K480-Y485 HydrophobicContact CG-CE1 3.86Å
481	E	49.8	Very low	48.8	Very low	130 Å²	130	147.9 Å²	147.9	61%	0.607	71%	0.707	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.9	99.8	173.5	-68.3	-179	-169.6	0	0	109	K479	K479-E481 IonicContact NZ-OE1 3.72Å; K479-E481 PolarHBondContact NZ-OE1 3.28Å
482	G	69.3	Low	49.4	Very low	60 Å²	60	147.6 Å²	147.6	62%	0.619	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.2	-126.6	-177.6	0	0	0	0	0	114.2	K480	K480-G482 VanDerWaalsContact CE-O 3.3Å; K480-G482 WeakPolarHBondContact CE-O 3.22Å
483	K	57.9	Low	50.5	Low	209 Å²	209	142.6 Å²	142.6	91%	0.909	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	1.5	-178.4	-76.8	-174.7	175.3	179.7	0	113.9
484	I	50.8	Low	50.6	Low	115 Å²	115	142.6 Å²	142.6	59%	0.59	70%	0.702	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.6	138	-176.6	-57.6	176.6	0	0	0	109.1	R486	I484-R486 HydrophobicContact CG2-CG 4.5Å
485	Y	60.3	Low	51.3	Low	141 Å²	141	137.9 Å²	137.9	55%	0.553	69%	0.693	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.1	133.7	168.1	-63.5	-84.5	0	0	0	108.7	K480	K480-Y485 HydrophobicContact CB-CE1 4.08Å; K480-Y485 HydrophobicContact CD-CE1 4.01Å; K480-Y485 HydrophobicContact CG-CE1 3.86Å
486	R	64.2	Low	52.1	Low	206 Å²	206	145.2 Å²	145.2	78%	0.777	72%	0.715	S	S	*	*			trans	-117.2	142.6	169.7	-75	-179.5	171.3	159.6	-4.1	108.9	I484	I484-R486 HydrophobicContact CG2-CG 4.5Å
487	L	50.3	Low	52.1	Low	144 Å²	144	143.1 Å²	143.1	75%	0.754	70%	0.703	S	S	*	*			trans	-79.1	144.1	171.6	-168.6	67.3	0	0	0	108.9	F478 T489	F478-L487 HydrophobicContact CE1-CD1 4.18Å; F478-L487 HydrophobicContact CZ-CD1 4.36Å; L487-T489 PolarHBondContact O-N 3.15Å
488	R	46.7	Very low	52.3	Low	192 Å²	192	145.8 Å²	145.8	73%	0.725	72%	0.717	S	S	*	*			trans	-89	100.7	-175.8	-166.2	178.8	-165.5	165.1	1.5	110.8
489	T	51.2	Low	52.3	Low	99 Å²	99	144.6 Å²	144.6	61%	0.607	72%	0.721	S	S	*	*			trans	-68.4	135.5	167	9.1	0	0	0	0	110.1	L487 D491	L487-T489 PolarHBondContact O-N 3.15Å; T489-D491 PolarHBondContact O-N 3.26Å; T489-D491 VanDerWaalsContact O-N 3.11Å
490	Q	46.9	Very low	52.3	Low	201 Å²	201	148.8 Å²	148.8	94%	0.939	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	52.6	-177	-165.4	-178.6	-11.1	0	0	111.3
491	D	49.6	Very low	52.1	Low	154 Å²	154	148.9 Å²	148.9	82%	0.824	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.4	-6.9	-180	-137.3	20.4	0	0	0	114.9	T489 G493	T489-D491 PolarHBondContact O-N 3.26Å; T489-D491 VanDerWaalsContact O-N 3.11Å; D491-G493 PolarHBondContact O-N 3.33Å
492	D	50.1	Low	52.2	Low	153 Å²	153	146 Å²	146	82%	0.818	75%	0.745	S	S	*	*			trans	-75.6	57.6	175.6	-68.5	-53.4	0	0	0	111.9
493	G	53.1	Low	50.9	Low	62 Å²	62	148.9 Å²	148.9	64%	0.639	75%	0.746	S	S	*	*			trans	-115.3	101.4	-177.8	0	0	0	0	0	113	D491	D491-G493 PolarHBondContact O-N 3.33Å
494	E	49.4	Very low	50.3	Low	200 Å²	200	144 Å²	144	94%	0.935	74%	0.738	S	S	*	*			trans	64.1	62.4	165.6	-58.8	-174.7	-151	0	0	117.2
495	D	47.7	Very low	50	Low	118 Å²	118	144.3 Å²	144.3	63%	0.631	75%	0.745	S	S	*	*			trans	-107	71.2	161.7	-160.2	-6.1	0	0	0	112.4	N497	D495-N497 PolarHBondContact O-N 3.36Å; D495-N497 PolarHBondContact OD1-N 2.83Å; D495-N497 VanDerWaalsContact OD1-N 3.16Å
496	E	53.3	Low	49.1	Very low	203 Å²	203	146 Å²	146	95%	0.949	76%	0.759	S	S	*	*			trans	-74.9	3.7	167.9	-75.1	-154.8	142.6	0	0	112.9
497	N	49.3	Very low	48	Very low	110 Å²	110	144.6 Å²	144.6	59%	0.588	76%	0.76	S	S	*	*			trans	-108.4	48.7	-174.8	-163.3	80	0	0	0	113.2	D495 T499	D495-N497 PolarHBondContact O-N 3.36Å; D495-N497 PolarHBondContact OD1-N 2.83Å; D495-N497 VanDerWaalsContact OD1-N 3.16Å; N497-T499 PolarHBondContact ND2-OG1 3.47Å; N497-T499 PolarHBondContact O-N 3.24Å
498	N	49.9	Very low	47.3	Very low	145 Å²	145	150.6 Å²	150.6	78%	0.775	79%	0.788	S	S	*	*			trans	-70.4	65.8	164.6	-94.8	-66.6	0	0	0	111.6	W500	N498-W500 PolarHBondContact O-N 2.75Å
499	T	48	Very low	47.3	Very low	103 Å²	103	148.5 Å²	148.5	63%	0.632	79%	0.791	S	S	*	*			trans	-71.7	97.7	175	45.3	0	0	0	0	110.5	N497 N501	N497-T499 PolarHBondContact ND2-OG1 3.47Å; N497-T499 PolarHBondContact O-N 3.24Å; T499-N501 PolarHBondContact O-N 3.05Å
500	W	53.2	Low	47.1	Very low	245 Å²	245	151.1 Å²	151.1	93%	0.928	80%	0.801	S	S	*	*			trans	-61	95.1	177.7	-173	-85.3	0	0	0	111.9	N498 G502	N498-W500 PolarHBondContact O-N 2.75Å; W500-G502 PolarHBondContact O-N 3.1Å
501	N	44.1	Very low	47.1	Very low	137 Å²	137	148.3 Å²	148.3	73%	0.733	79%	0.793	S	S	*	*			trans	-72.2	89.3	174.5	178.4	7.7	0	0	0	110.4	T499 N503	T499-N501 PolarHBondContact O-N 3.05Å; N501-N503 PolarHBondContact O-N 3.1Å
502	G	51	Low	47	Very low	69 Å²	69	148 Å²	148	71%	0.711	79%	0.791	S	S	*	*			trans	-75.2	50.9	179.7	0	0	0	0	0	114.9	W500	W500-G502 PolarHBondContact O-N 3.1Å
503	N	42	Very low	46.8	Very low	120 Å²	120	147.7 Å²	147.7	64%	0.642	79%	0.79	S	S	*	*			trans	-142.5	85.7	173.3	-170.5	17.7	0	0	0	112.6	N501	N501-N503 PolarHBondContact O-N 3.1Å
504	S	45.3	Very low	46.4	Very low	108 Å²	108	153.4 Å²	153.4	76%	0.755	80%	0.8	S	S	*	*			trans	-132.5	77.1	164.5	-169.6	0	0	0	0	109.9	Q506	S504-Q506 VanDerWaalsContact C-N 3.26Å; S504-Q506 PolarHBondContact O-N 2.72Å; S504-Q506 VanDerWaalsContact O-N 3.14Å
505	T	45.3	Very low	46.2	Very low	120 Å²	120	150.1 Å²	150.1	74%	0.736	79%	0.79	S	S	*	*			trans	-83.8	72.7	170.6	-50.5	0	0	0	0	109.1	Q507	T505-Q507 PolarHBondContact O-N 2.63Å
506	Q	40.8	Very low	46	Very low	178 Å²	178	152.5 Å²	152.5	83%	0.832	80%	0.802	S	S	*	*			trans	-79.2	108	175.1	-165.2	165.3	21.9	0	0	109.3	S504	S504-Q506 VanDerWaalsContact C-N 3.26Å; S504-Q506 PolarHBondContact O-N 2.72Å; S504-Q506 VanDerWaalsContact O-N 3.14Å
507	Q	41.4	Very low	45.4	Very low	175 Å²	175	148.3 Å²	148.3	82%	0.818	79%	0.79	S	S	*	*			trans	-73	142.2	179.9	-66.8	175	-22.2	0	0	111.7	T505	T505-Q507 PolarHBondContact O-N 2.63Å
508	M	35.1	Very low	45.1	Very low	270 Å²	270	151.8 Å²	151.8	100%	1.33	81%	0.808	S	S	*	*			trans	-127.9	0	148.4	-80.5	-166	167.6	0	0	107.9

Retrieved 508 of 508 residues in 563.8 ms (Link to these results)

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