A0A077Z1E7_TRITR Loading...

RWD and DUF1115 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1E7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 591 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	49.9	Very low	76.3	Confident	210 Å²	210	120.7 Å²	120.7	100%	1.034	62%	0.617	S	S	*	*				0	-41.3	0	-146.9	162.3	76.8	0	0	112.8	G3 L5	M1-G3 PolarHBondContact O-N 2.88Å; M1-L5 PolarHBondContact O-N 3.19Å
2	S	69.6	Low	76.9	Confident	102 Å²	102	116.2 Å²	116.2	71%	0.713	60%	0.604	S	S	*	*	H	α-helix	trans	-60.3	-39.3	179.9	55.8	0	0	0	0	114.9	L5 R6	S2-L5 PolarHBondContact O-N 3.44Å; S2-R6 VanDerWaalsContact O-CB 3.32Å; S2-R6 WeakPolarHBondContact O-CB 3.24Å; S2-R6 PolarHBondContact O-N 3.06Å
3	G	72.5	Confident	77.6	Confident	48 Å²	48	114.2 Å²	114.2	50%	0.495	60%	0.6	S	S	.	*	H	α-helix	trans	-64	-46.1	-178.6	0	0	0	0	0	113.9	M1 R6 Q7	M1-G3 PolarHBondContact O-N 2.88Å; G3-R6 PolarHBondContact O-N 3.46Å; G3-Q7 WeakPolarHBondContact O-CB 3.34Å; G3-Q7 PolarHBondContact O-N 3.35Å
4	I	80.1	Confident	78.4	Confident	133 Å²	133	113.4 Å²	113.4	68%	0.682	60%	0.596	S	S	*	*	H	α-helix	trans	-64.9	-43.7	178.3	-61.9	171.2	0	0	0	110.3	R6 Q7 A8	I4-R6 PolarHBondContact O-N 3.29Å; I4-Q7 PolarHBondContact O-N 2.96Å; I4-A8 WeakPolarHBondContact O-CB 3.36Å; I4-A8 PolarHBondContact O-N 2.8Å
5	L	75.8	Confident	79	Confident	117 Å²	117	113.5 Å²	113.5	61%	0.613	60%	0.596	S	S	*	*	H	α-helix	trans	-63.3	-43.1	178.4	-165.7	75.6	0	0	0	111.3	M1 S2 Q7 A8 M9	M1-L5 PolarHBondContact O-N 3.19Å; S2-L5 PolarHBondContact O-N 3.44Å; L5-Q7 VanDerWaalsContact C-N 3.35Å; L5-Q7 PolarHBondContact O-N 3.35Å; L5-A8 PolarHBondContact O-N 3.45Å; L5-M9 WeakPolarHBondContact O-CG 3.43Å; L5-M9 PolarHBondContact O-N 3.13Å
6	R	75.6	Confident	79.4	Confident	166 Å²	166	112 Å²	112	63%	0.626	60%	0.597	S	S	*	*	H	α-helix	trans	-61.6	-43.6	176	-174.9	-178.9	-73.8	-122.8	2.9	111.3	S2 G3 I4 A8 M9 H10	S2-R6 VanDerWaalsContact O-CB 3.32Å; S2-R6 WeakPolarHBondContact O-CB 3.24Å; S2-R6 PolarHBondContact O-N 3.06Å; G3-R6 PolarHBondContact O-N 3.46Å; I4-R6 PolarHBondContact O-N 3.29Å; R6-A8 VanDerWaalsContact C-N 3.35Å; R6-M9 PolarHBondContact O-N 3.27Å; R6-H10 PolarHBondContact O-CD2 2.88Å; R6-H10 PolarHBondContact O-N 2.76Å
7	Q	81.4	Confident	80	Confident	109 Å²	109	110.4 Å²	110.4	51%	0.509	59%	0.592	S	S	.	*	H	α-helix	trans	-65.7	-38.7	177.6	-164.9	173.7	16.1	0	0	112	G3 I4 L5 H10 R11	G3-Q7 WeakPolarHBondContact O-CB 3.34Å; G3-Q7 PolarHBondContact O-N 3.35Å; I4-Q7 PolarHBondContact O-N 2.96Å; L5-Q7 VanDerWaalsContact C-N 3.35Å; L5-Q7 PolarHBondContact O-N 3.35Å; Q7-H10 PolarHBondContact O-N 3.31Å; Q7-R11 WeakPolarHBondContact O-CG 3.47Å; Q7-R11 PolarHBondContact O-N 3.43Å; Q7-R11 VanDerWaalsContact O-N 3.07Å
8	A	82	Confident	80.6	Confident	47 Å²	47	109.8 Å²	109.8	39%	0.388	59%	0.588	S	S	.	*	H	α-helix	trans	-61.9	-45.9	172.7	0	0	0	0	0	111.3	I4 L5 R6 H10 R11 S12	I4-A8 WeakPolarHBondContact O-CB 3.36Å; I4-A8 PolarHBondContact O-N 2.8Å; L5-A8 PolarHBondContact O-N 3.45Å; R6-A8 VanDerWaalsContact C-N 3.35Å; A8-H10 PolarHBondContact O-N 3.01Å; A8-R11 PolarHBondContact O-N 3.48Å; A8-S12 PolarHBondContact O-N 3.27Å; A8-S12 PolarHBondContact O-OG 3.29Å; A8-S12 VanDerWaalsContact O-OG 3.06Å
9	M	81	Confident	81.1	Confident	115 Å²	115	109.1 Å²	109.1	57%	0.567	58%	0.579	S	S	*	*	H	α-helix	trans	-60.1	-44.9	176	-70.5	-163.3	-38.5	0	0	112.5	L5 R6 R11 S12 V13	L5-M9 WeakPolarHBondContact O-CG 3.43Å; L5-M9 PolarHBondContact O-N 3.13Å; R6-M9 PolarHBondContact O-N 3.27Å; M9-R11 VanDerWaalsContact C-N 3.3Å; M9-R11 PolarHBondContact O-N 3.44Å; M9-S12 PolarHBondContact O-N 3.42Å; M9-V13 WeakPolarHBondContact O-CG2 3.41Å; M9-V13 PolarHBondContact O-N 3.3Å
10	H	84	Confident	81.5	Confident	121 Å²	121	107 Å²	107	56%	0.56	57%	0.572	S	S	*	*	H	α-helix	trans	-60.9	-40.7	177.6	-78.5	-65.3	0	0	0	112.1	R6 Q7 A8 V13 L14	R6-H10 PolarHBondContact O-CD2 2.88Å; R6-H10 PolarHBondContact O-N 2.76Å; Q7-H10 PolarHBondContact O-N 3.31Å; A8-H10 PolarHBondContact O-N 3.01Å; H10-V13 PolarHBondContact O-N 3.23Å; H10-L14 WeakPolarHBondContact O-CB 3.37Å; H10-L14 PolarHBondContact O-N 3.12Å
11	R	87.5	Confident	82	Confident	160 Å²	160	105.8 Å²	105.8	60%	0.604	57%	0.568	S	S	*	*	H	α-helix	trans	-64.4	-42.6	174.6	-72.1	177.7	179	-174.2	0.8	111.5	Q7 A8 M9 L14 L15	Q7-R11 WeakPolarHBondContact O-CG 3.47Å; Q7-R11 PolarHBondContact O-N 3.43Å; Q7-R11 VanDerWaalsContact O-N 3.07Å; A8-R11 PolarHBondContact O-N 3.48Å; M9-R11 VanDerWaalsContact C-N 3.3Å; M9-R11 PolarHBondContact O-N 3.44Å; R11-L14 PolarHBondContact O-N 3.04Å; R11-L15 WeakPolarHBondContact O-CG 2.96Å; R11-L15 PolarHBondContact O-N 3.42Å
12	S	84.3	Confident	84	Confident	66 Å²	66	97.4 Å²	97.4	46%	0.462	54%	0.536	S	S	.	.	H	α-helix	trans	-61.5	-44.4	175.9	-59.5	0	0	0	0	111.9	A8 M9 L14 L15 C16	A8-S12 PolarHBondContact O-N 3.27Å; A8-S12 PolarHBondContact O-OG 3.29Å; A8-S12 VanDerWaalsContact O-OG 3.06Å; M9-S12 PolarHBondContact O-N 3.42Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.31Å; S12-L15 PolarHBondContact O-N 2.82Å; S12-C16 WeakPolarHBondContact O-CB 3.48Å; S12-C16 PolarHBondContact O-N 3.45Å; S12-C16 PolarHBondContact O-SG 3.45Å
13	V	85.5	Confident	85.1	Confident	91 Å²	91	93.7 Å²	93.7	55%	0.552	51%	0.508	S	S	*	.	H	α-helix	trans	-61.4	-44.1	176.4	171.9	0	0	0	0	110.9	M9 H10 L15 C16 V17	M9-V13 WeakPolarHBondContact O-CG2 3.41Å; M9-V13 PolarHBondContact O-N 3.3Å; H10-V13 PolarHBondContact O-N 3.23Å; V13-L15 PolarHBondContact O-N 2.93Å; V13-C16 PolarHBondContact O-N 3.27Å; V13-V17 WeakPolarHBondContact O-CG2 3.37Å; V13-V17 PolarHBondContact O-N 3.4Å
14	L	88.6	Confident	86	Confident	103 Å²	103	93.3 Å²	93.3	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-60.3	-45.7	177.1	-177.8	64	0	0	0	111.4	H10 R11 S12 C16 V17 L18	H10-L14 WeakPolarHBondContact O-CB 3.37Å; H10-L14 PolarHBondContact O-N 3.12Å; R11-L14 PolarHBondContact O-N 3.04Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.31Å; L14-C16 VanDerWaalsContact C-N 3.33Å; L14-C16 PolarHBondContact O-N 3.35Å; L14-V17 PolarHBondContact O-N 3Å; L14-V17 VanDerWaalsContact O-N 3.15Å; L14-L18 HydrophobicContact CD1-CD1 4.22Å; L14-L18 HydrophobicContact CD1-CG 4.29Å; L14-L18 HydrophobicContact CG-CD1 3.95Å; L14-L18 HydrophobicContact CG-CG 4.41Å; L14-L18 WeakPolarHBondContact O-CG 3.33Å; L14-L18 PolarHBondContact O-N 3.49Å
15	L	88.2	Confident	86.6	Confident	115 Å²	115	90 Å²	90	60%	0.602	49%	0.487	S	S	*	.	H	α-helix	trans	-61.6	-41.3	175.7	-70.6	171.5	0	0	0	111.9	R11 S12 V13 V17 L18 F19	R11-L15 WeakPolarHBondContact O-CG 2.96Å; R11-L15 PolarHBondContact O-N 3.42Å; S12-L15 PolarHBondContact O-N 2.82Å; V13-L15 PolarHBondContact O-N 2.93Å; L15-V17 PolarHBondContact O-N 3.34Å; L15-L18 PolarHBondContact O-N 3.49Å; L15-F19 VanDerWaalsContact O-CB 3.3Å; L15-F19 WeakPolarHBondContact O-CB 3.49Å; L15-F19 PolarHBondContact O-N 3.31Å
16	C	84.6	Confident	87.4	Confident	89 Å²	89	90.8 Å²	90.8	60%	0.601	48%	0.482	S	S	*	.	H	α-helix	trans	-65.2	-21.4	176	-70.1	0	0	0	0	113.7	S12 V13 L14 P20	S12-C16 WeakPolarHBondContact O-CB 3.48Å; S12-C16 PolarHBondContact O-N 3.45Å; S12-C16 PolarHBondContact O-SG 3.45Å; V13-C16 PolarHBondContact O-N 3.27Å; L14-C16 VanDerWaalsContact C-N 3.33Å; L14-C16 PolarHBondContact O-N 3.35Å; C16-P20 WeakPolarHBondContact O-CD 3.07Å; C16-P20 WeakPolarHBondContact O-CG 3.19Å
17	V	89	Confident	88.1	Confident	85 Å²	85	84.3 Å²	84.3	52%	0.515	46%	0.461	S	S	.	.	H	α-helix	trans	-89.1	-41.9	174.5	172.6	0	0	0	0	111.1	V13 L14 L15 F19 P20 V21	V13-V17 WeakPolarHBondContact O-CG2 3.37Å; V13-V17 PolarHBondContact O-N 3.4Å; L14-V17 PolarHBondContact O-N 3Å; L14-V17 VanDerWaalsContact O-N 3.15Å; L15-V17 PolarHBondContact O-N 3.34Å; V17-F19 VanDerWaalsContact C-N 3.31Å; V17-F19 PolarHBondContact O-N 2.87Å; V17-P20 WeakPolarHBondContact O-CD 3.41Å; V17-V21 VanDerWaalsContact O-CG2 3.26Å; V17-V21 WeakPolarHBondContact O-CG2 3.34Å; V17-V21 PolarHBondContact O-N 3.46Å
18	L	90.9	Very high	88.5	Confident	100 Å²	100	87.3 Å²	87.3	52%	0.524	47%	0.468	S	S	.	.	H	α-helix	trans	-66.6	-34.2	-179.8	-69.3	174.8	0	0	0	112.2	L14 L15 V21 G22	L14-L18 HydrophobicContact CD1-CD1 4.22Å; L14-L18 HydrophobicContact CD1-CG 4.29Å; L14-L18 HydrophobicContact CG-CD1 3.95Å; L14-L18 HydrophobicContact CG-CG 4.41Å; L14-L18 WeakPolarHBondContact O-CG 3.33Å; L14-L18 PolarHBondContact O-N 3.49Å; L15-L18 PolarHBondContact O-N 3.49Å; L18-V21 PolarHBondContact O-N 3.13Å; L18-G22 PolarHBondContact O-N 3.35Å
19	F	90	Very high	88.9	Confident	95 Å²	95	90.2 Å²	90.2	42%	0.417	48%	0.476	S	S	.	.	H	α-helix	trans	-64.4	-52.8	-177.9	179.1	-93.9	0	0	0	113.6	L15 V17 V21 G22 D23 V60	L15-F19 VanDerWaalsContact O-CB 3.3Å; L15-F19 WeakPolarHBondContact O-CB 3.49Å; L15-F19 PolarHBondContact O-N 3.31Å; V17-F19 VanDerWaalsContact C-N 3.31Å; V17-F19 PolarHBondContact O-N 2.87Å; F19-V21 VanDerWaalsContact C-N 3.28Å; F19-V21 PolarHBondContact O-N 3.29Å; F19-G22 PolarHBondContact O-N 2.82Å; F19-D23 PolarHBondContact O-N 3.3Å; F19-V60 HydrophobicContact CE1-CG1 3.82Å; F19-V60 HydrophobicContact CZ-CG1 3.42Å; F19-V60 VanDerWaalsContact CZ-CG1 3.42Å
20	P	89.3	Confident	89.3	Confident	68 Å²	68	85.5 Å²	85.5	44%	0.442	45%	0.454	S	S	.	.	H	α-helix	trans	-61.1	-33.6	173.7	-24.1	33.5	0	0	0	113.7	C16 V17 D23 A24	C16-P20 WeakPolarHBondContact O-CD 3.07Å; C16-P20 WeakPolarHBondContact O-CG 3.19Å; V17-P20 WeakPolarHBondContact O-CD 3.41Å; P20-D23 PolarHBondContact O-N 3.09Å; P20-A24 VanDerWaalsContact O-CB 3.25Å; P20-A24 WeakPolarHBondContact O-CB 3.16Å; P20-A24 PolarHBondContact O-N 2.6Å
21	V	92.3	Very high	89.4	Confident	81 Å²	81	81.7 Å²	81.7	49%	0.491	44%	0.444	S	S	.	.	H	α-helix	trans	-64.6	-46.2	175.3	172.6	0	0	0	0	109.9	V17 L18 F19 A24 T25	V17-V21 VanDerWaalsContact O-CG2 3.26Å; V17-V21 WeakPolarHBondContact O-CG2 3.34Å; V17-V21 PolarHBondContact O-N 3.46Å; L18-V21 PolarHBondContact O-N 3.13Å; F19-V21 VanDerWaalsContact C-N 3.28Å; F19-V21 PolarHBondContact O-N 3.29Å; V21-A24 PolarHBondContact O-N 2.99Å; V21-T25 HydrophobicContact CG1-CG2 4.48Å; V21-T25 VanDerWaalsContact O-CG2 3.27Å; V21-T25 WeakPolarHBondContact O-CG2 3.09Å; V21-T25 PolarHBondContact O-N 3.19Å; V21-T25 PolarHBondContact O-OG1 3.04Å
22	G	92.2	Very high	89.3	Confident	35 Å²	35	81.8 Å²	81.8	36%	0.361	45%	0.449	S	S	.	.	H	α-helix	trans	-58.8	-48.6	174.6	0	0	0	0	0	112.4	L18 F19 A24 T25 W26	L18-G22 PolarHBondContact O-N 3.35Å; F19-G22 PolarHBondContact O-N 2.82Å; G22-A24 PolarHBondContact O-N 3.07Å; G22-T25 WeakPolarHBondContact CA-OG1 3.4Å; G22-T25 PolarHBondContact O-N 3.4Å; G22-T25 PolarHBondContact O-OG1 2.76Å; G22-W26 PolarHBondContact O-N 2.99Å
23	D	92	Very high	89.3	Confident	24 Å²	24	83.3 Å²	83.3	13%	0.128	46%	0.459	C	S	.	.	H	α-helix	trans	-58.1	-48.1	176.8	-175	71.3	0	0	0	111.9	F19 P20 T25 W26 C27 Y53 Y56 H57	F19-D23 PolarHBondContact O-N 3.3Å; P20-D23 PolarHBondContact O-N 3.09Å; D23-T25 PolarHBondContact O-N 3.45Å; D23-W26 PolarHBondContact O-N 2.92Å; D23-C27 PolarHBondContact O-N 2.82Å; D23-Y53 PolarHBondContact O-OH 3.43Å; D23-Y53 PolarHBondContact OD1-OH 3.07Å; D23-Y53 PolarHBondContact OD2-OH 3.34Å; D23-Y56 WeakPolarHBondContact OD1-CE1 3.31Å; D23-H57 IonicContact OD1-ND1 3.31Å; D23-H57 PolarHBondContact OD1-ND1 2.94Å; D23-H57 VanDerWaalsContact OD1-ND1 3.14Å; D23-H57 IonicContact OD2-CE1 2.66Å; D23-H57 PolarHBondContact OD2-CE1 3.45Å; D23-H57 IonicContact OD2-ND1 3.07Å; D23-H57 PolarHBondContact OD2-ND1 2.98Å
24	A	91.7	Very high	89	Confident	39 Å²	39	81.4 Å²	81.4	32%	0.322	44%	0.444	S	S	.	.	H	α-helix	trans	-63	-39.9	176.6	0	0	0	0	0	112.8	P20 V21 G22 W26 C27 W28	P20-A24 VanDerWaalsContact O-CB 3.25Å; P20-A24 WeakPolarHBondContact O-CB 3.16Å; P20-A24 PolarHBondContact O-N 2.6Å; V21-A24 PolarHBondContact O-N 2.99Å; G22-A24 PolarHBondContact O-N 3.07Å; A24-W26 VanDerWaalsContact C-N 3.35Å; A24-C27 VanDerWaalsContact O-CB 3.27Å; A24-C27 WeakPolarHBondContact O-CB 3.21Å; A24-C27 PolarHBondContact O-N 3.11Å; A24-W28 PolarHBondContact O-N 3.11Å; A24-W28 VanDerWaalsContact O-N 3.08Å
25	T	92.5	Very high	88.2	Confident	65 Å²	65	82.3 Å²	82.3	40%	0.399	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-39.5	175.9	56.3	0	0	0	0	111.8	V21 G22 D23 W28 I29	V21-T25 HydrophobicContact CG1-CG2 4.48Å; V21-T25 VanDerWaalsContact O-CG2 3.27Å; V21-T25 WeakPolarHBondContact O-CG2 3.09Å; V21-T25 PolarHBondContact O-N 3.19Å; V21-T25 PolarHBondContact O-OG1 3.04Å; G22-T25 WeakPolarHBondContact CA-OG1 3.4Å; G22-T25 PolarHBondContact O-N 3.4Å; G22-T25 PolarHBondContact O-OG1 2.76Å; D23-T25 PolarHBondContact O-N 3.45Å; T25-W28 PolarHBondContact O-N 2.76Å; T25-I29 WeakPolarHBondContact O-CD1 3.19Å; T25-I29 VanDerWaalsContact O-CG1 3.25Å; T25-I29 WeakPolarHBondContact O-CG1 3.33Å; T25-I29 PolarHBondContact O-N 3.27Å
26	W	93	Very high	87.6	Confident	133 Å²	133	84.9 Å²	84.9	50%	0.504	46%	0.457	S	S	.	.	H	α-helix	trans	-63.9	-44.7	174	-169	-54.6	0	0	0	110.7	G22 D23 A24 W28 I29 S30 Y53	G22-W26 PolarHBondContact O-N 2.99Å; D23-W26 PolarHBondContact O-N 2.92Å; A24-W26 VanDerWaalsContact C-N 3.35Å; W26-W28 VanDerWaalsContact C-N 3.29Å; W26-W28 PolarHBondContact O-N 2.99Å; W26-I29 PolarHBondContact O-N 3.26Å; W26-S30 WeakPolarHBondContact O-CB 3.43Å; W26-S30 PolarHBondContact O-N 3.47Å; W26-Y53 HydrophobicContact CB-CD2 4.17Å; W26-Y53 HydrophobicContact CB-CE2 3.96Å; W26-Y53 AromaticContact CD1-CD2 2.97Å; W26-Y53 AromaticContact CD1-CE2 3.65Å; W26-Y53 AromaticContact CD1-CG 3.53Å; W26-Y53 HydrophobicContact CD2-CD2 4.42Å; W26-Y53 AromaticContact CG-CD2 3.63Å; W26-Y53 HydrophobicContact CG-CD2 3.63Å; W26-Y53 AromaticContact CG-CE2 3.94Å; W26-Y53 HydrophobicContact CG-CE2 3.94Å; W26-Y53 AromaticContact NE1-CD2 3.47Å; W26-Y53 AromaticContact NE1-CG 3.85Å
27	C	90.5	Very high	87.1	Confident	29 Å²	29	86.2 Å²	86.2	20%	0.196	46%	0.455	C	S	.	.	H	α-helix	trans	-49.3	-51.9	175.3	-168.4	0	0	0	0	111.5	D23 A24 S30 A31 Y53	D23-C27 PolarHBondContact O-N 2.82Å; A24-C27 VanDerWaalsContact O-CB 3.27Å; A24-C27 WeakPolarHBondContact O-CB 3.21Å; A24-C27 PolarHBondContact O-N 3.11Å; C27-S30 PolarHBondContact O-N 2.96Å; C27-A31 WeakPolarHBondContact O-CB 3.14Å; C27-A31 PolarHBondContact O-N 3.25Å; C27-Y53 HydrophobicContact CB-CE1 3.65Å; C27-Y53 HydrophobicContact CB-CE2 4.43Å; C27-Y53 VanDerWaalsContact CB-OH 3.29Å; C27-Y53 WeakPolarHBondContact CB-OH 3.28Å
28	W	89.5	Confident	86.5	Confident	173 Å²	173	94 Å²	94	66%	0.655	48%	0.475	S	S	*	.	H	α-helix	trans	-64.9	-46.4	179.9	-68.2	-11.8	0	0	0	112.6	A24 T25 W26 S30 A31 F32	A24-W28 PolarHBondContact O-N 3.11Å; A24-W28 VanDerWaalsContact O-N 3.08Å; T25-W28 PolarHBondContact O-N 2.76Å; W26-W28 VanDerWaalsContact C-N 3.29Å; W26-W28 PolarHBondContact O-N 2.99Å; W28-S30 PolarHBondContact O-N 2.79Å; W28-A31 PolarHBondContact O-N 3.28Å; W28-F32 HydrophobicContact CB-CD2 4.32Å; W28-F32 HydrophobicContact CB-CE2 4.15Å; W28-F32 WeakPolarHBondContact O-CD2 3.44Å; W28-F32 PolarHBondContact O-N 3.06Å
29	I	90.2	Very high	85.7	Confident	108 Å²	108	94.2 Å²	94.2	55%	0.554	48%	0.475	S	S	*	.	H	α-helix	trans	-57.5	-42.6	176.5	-68.1	164.6	0	0	0	110.4	T25 W26 F32 S33	T25-I29 WeakPolarHBondContact O-CD1 3.19Å; T25-I29 VanDerWaalsContact O-CG1 3.25Å; T25-I29 WeakPolarHBondContact O-CG1 3.33Å; T25-I29 PolarHBondContact O-N 3.27Å; W26-I29 PolarHBondContact O-N 3.26Å; I29-F32 PolarHBondContact O-N 3.22Å; I29-S33 WeakPolarHBondContact O-CB 3.19Å; I29-S33 PolarHBondContact O-N 2.88Å; I29-S33 PolarHBondContact O-OG 3.45Å
30	S	89.7	Confident	85	Confident	15 Å²	15	91.7 Å²	91.7	11%	0.105	47%	0.469	C	S	.	.	H	α-helix	trans	-67.2	-37.7	179.2	-171.3	0	0	0	0	112.8	W26 C27 W28 G50	W26-S30 WeakPolarHBondContact O-CB 3.43Å; W26-S30 PolarHBondContact O-N 3.47Å; C27-S30 PolarHBondContact O-N 2.96Å; W28-S30 PolarHBondContact O-N 2.79Å; S30-G50 WeakPolarHBondContact OG-CA 3.49Å; S30-G50 PolarHBondContact OG-N 3.48Å
31	A	87	Confident	84.5	Confident	42 Å²	42	96.4 Å²	96.4	35%	0.347	49%	0.489	S	S	.	.	H	α-helix	trans	-69.6	-43.8	176.1	0	0	0	0	0	111.6	C27 W28 S33 K34	C27-A31 WeakPolarHBondContact O-CB 3.14Å; C27-A31 PolarHBondContact O-N 3.25Å; W28-A31 PolarHBondContact O-N 3.28Å; A31-S33 PolarHBondContact O-N 3.02Å; A31-K34 PolarHBondContact O-N 2.87Å; A31-K34 VanDerWaalsContact O-N 3.1Å
32	F	85	Confident	83.6	Confident	162 Å²	162	99.9 Å²	99.9	71%	0.711	50%	0.504	S	S	*	.	H	α-helix	trans	-63.4	-31.1	175.8	-74.8	-58.6	0	0	0	112.8	W28 I29 K34 D35	W28-F32 HydrophobicContact CB-CD2 4.32Å; W28-F32 HydrophobicContact CB-CE2 4.15Å; W28-F32 WeakPolarHBondContact O-CD2 3.44Å; W28-F32 PolarHBondContact O-N 3.06Å; I29-F32 PolarHBondContact O-N 3.22Å; F32-K34 PolarHBondContact O-N 3.26Å; F32-D35 PolarHBondContact O-N 2.83Å
33	S	84.3	Confident	82.5	Confident	97 Å²	97	102.3 Å²	102.3	68%	0.678	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-14.4	176.8	-58.5	0	0	0	0	113.3	I29 A31	I29-S33 WeakPolarHBondContact O-CB 3.19Å; I29-S33 PolarHBondContact O-N 2.88Å; I29-S33 PolarHBondContact O-OG 3.45Å; A31-S33 PolarHBondContact O-N 3.02Å
34	K	78.5	Confident	81.5	Confident	52 Å²	52	104.9 Å²	104.9	23%	0.226	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	16.6	-178.9	-92.2	-169.2	162.2	-172.3	0	114.3	A31 F32 H36 E37 E47 V49	A31-K34 PolarHBondContact O-N 2.87Å; A31-K34 VanDerWaalsContact O-N 3.1Å; F32-K34 PolarHBondContact O-N 3.26Å; K34-H36 PolarHBondContact O-N 3.2Å; K34-E37 WeakPolarHBondContact CE-OE2 3.32Å; K34-E37 IonicContact NZ-OE2 3.15Å; K34-E37 PolarHBondContact O-N 3.11Å; K34-E47 PolarHBondContact NZ-O 3.41Å; K34-V49 WeakPolarHBondContact CE-O 3.31Å; K34-V49 PolarHBondContact NZ-O 3.16Å
35	D	72	Confident	80.6	Confident	121 Å²	121	106.7 Å²	106.7	65%	0.647	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-31.9	-172.9	115.5	35.4	0	0	0	114.3	F32 E37	F32-D35 PolarHBondContact O-N 2.83Å; D35-E37 PolarHBondContact O-N 2.98Å
36	H	74.6	Confident	79.7	Confident	169 Å²	169	106.5 Å²	106.5	78%	0.782	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.5	-173.7	-56.3	-31.3	0	0	0	115.1	K34	K34-H36 PolarHBondContact O-N 3.2Å
37	E	74.2	Confident	78.9	Confident	118 Å²	118	105.1 Å²	105.1	55%	0.551	52%	0.521	S	S	*	.	S	Bend	trans	-95.5	138.1	-179.5	-72	-176.8	170.1	0	0	112.1	K34 D35 I39	K34-E37 WeakPolarHBondContact CE-OE2 3.32Å; K34-E37 IonicContact NZ-OE2 3.15Å; K34-E37 PolarHBondContact O-N 3.11Å; D35-E37 PolarHBondContact O-N 2.98Å; E37-I39 PolarHBondContact O-N 2.73Å
38	R	76.6	Confident	78.4	Confident	248 Å²	248	105.3 Å²	105.3	94%	0.936	52%	0.522	S	S	*	.			trans	-73	115.5	175.7	-67.2	-176.4	-176.9	-174	1.2	109.3
39	I	75.6	Confident	78.3	Confident	104 Å²	104	97.2 Å²	97.2	53%	0.533	49%	0.491	S	S	.	.			trans	-80.5	134.9	177.1	-57.3	171.6	0	0	0	109.5	E37 T48	E37-I39 PolarHBondContact O-N 2.73Å; I39-T48 HydrophobicContact CD1-CG2 4.5Å; I39-T48 HydrophobicContact CG2-CG2 3.71Å
40	P	73.5	Confident	78	Confident	42 Å²	42	92.9 Å²	92.9	27%	0.273	47%	0.473	S	S	.	.			trans	-65.8	153.7	174.5	31	-40.3	0	0	0	111.7	L42 C43 E47	P40-L42 PolarHBondContact O-N 3.25Å; P40-L42 VanDerWaalsContact O-N 3.11Å; P40-C43 PolarHBondContact O-N 3.29Å; P40-E47 WeakPolarHBondContact CD-OE2 3.31Å; P40-E47 WeakPolarHBondContact CG-OE2 3.24Å
41	I	80.1	Confident	77.6	Confident	168 Å²	168	96.8 Å²	96.8	86%	0.862	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.6	178.2	-164.8	165.7	0	0	0	113.6	C43	I41-C43 PolarHBondContact O-N 2.61Å
42	L	73.5	Confident	77.5	Confident	154 Å²	154	101 Å²	101	81%	0.806	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-10.3	177	-65.7	172	0	0	0	112.6	P40 D44	P40-L42 PolarHBondContact O-N 3.25Å; P40-L42 VanDerWaalsContact O-N 3.11Å; L42-D44 VanDerWaalsContact C-N 3.29Å; L42-D44 PolarHBondContact O-N 3.41Å
43	C	68.4	Low	77.7	Confident	85 Å²	85	93.6 Å²	93.6	57%	0.574	48%	0.484	S	S	*	.			trans	47.8	49.8	-178.4	-64.3	0	0	0	0	112.3	P40 I41 Y45	P40-C43 PolarHBondContact O-N 3.29Å; I41-C43 PolarHBondContact O-N 2.61Å; C43-Y45 PolarHBondContact O-N 3.47Å
44	D	70.5	Confident	77.7	Confident	79 Å²	79	89.1 Å²	89.1	42%	0.422	45%	0.453	S	S	.	.			trans	-58.4	126	177.4	-172.1	-3.4	0	0	0	109.7	L42 M46 E47 T48	L42-D44 VanDerWaalsContact C-N 3.29Å; L42-D44 PolarHBondContact O-N 3.41Å; D44-M46 PolarHBondContact O-N 2.98Å; D44-M46 PolarHBondContact OD1-N 2.84Å; D44-E47 HydrophobicContact CB-CB 4.48Å; D44-E47 HydrophobicContact CB-CG 4.34Å; D44-E47 PolarHBondContact O-N 3.38Å; D44-T48 WeakPolarHBondContact O-CG2 3.47Å; D44-T48 PolarHBondContact O-N 3.41Å; D44-T48 VanDerWaalsContact O-N 3.09Å; D44-T48 PolarHBondContact O-OG1 2.9Å
45	Y	74.4	Confident	78.1	Confident	77 Å²	77	89.8 Å²	89.8	30%	0.302	46%	0.461	S	S	.	.	H	α-helix	trans	-54.2	-42.4	-178.1	172.6	-100.3	0	0	0	110.8	C43 E47 T48 V49 Y53 A54 H57	C43-Y45 PolarHBondContact O-N 3.47Å; Y45-E47 PolarHBondContact O-N 3.37Å; Y45-T48 PolarHBondContact O-N 3.25Å; Y45-T48 PolarHBondContact O-OG1 2.82Å; Y45-V49 HydrophobicContact CE1-CG2 4.27Å; Y45-V49 HydrophobicContact CE2-CG1 4.3Å; Y45-V49 HydrophobicContact CE2-CG2 4.3Å; Y45-V49 WeakPolarHBondContact O-CG2 3.1Å; Y45-V49 PolarHBondContact O-N 3.43Å; Y45-Y53 WeakPolarHBondContact OH-CE1 3.34Å; Y45-A54 HydrophobicContact CE1-CB 4.35Å; Y45-H57 PolarHBondContact OH-CD2 3.34Å; Y45-H57 VanDerWaalsContact OH-CD2 3.3Å
46	M	73.5	Confident	78.8	Confident	61 Å²	61	88 Å²	88	30%	0.3	45%	0.446	S	S	.	.	H	α-helix	trans	-63.3	-26.6	-179.1	-66.3	-62.3	-166.6	0	0	113.2	D44 A54 V58 E122 I126	D44-M46 PolarHBondContact O-N 2.98Å; D44-M46 PolarHBondContact OD1-N 2.84Å; M46-A54 HydrophobicContact SD-CB 3.78Å; M46-V58 HydrophobicContact CE-CG2 4.3Å; M46-E122 HydrophobicContact CE-CG 3.89Å; M46-I126 HydrophobicContact CE-CD1 3.87Å
47	E	75.3	Confident	79.5	Confident	103 Å²	103	82.1 Å²	82.1	48%	0.481	42%	0.419	S	S	.	.	H	α-helix	trans	-90.2	-30.2	179.6	-65.2	-168.5	-174.7	0	0	112.6	K34 P40 D44 Y45	K34-E47 PolarHBondContact NZ-O 3.41Å; P40-E47 WeakPolarHBondContact CD-OE2 3.31Å; P40-E47 WeakPolarHBondContact CG-OE2 3.24Å; D44-E47 HydrophobicContact CB-CB 4.48Å; D44-E47 HydrophobicContact CB-CG 4.34Å; D44-E47 PolarHBondContact O-N 3.38Å; Y45-E47 PolarHBondContact O-N 3.37Å
48	T	80.3	Confident	79.9	Confident	34 Å²	34	77 Å²	77	21%	0.209	40%	0.396	C	S	.	.	H	α-helix	trans	-74.6	-26.7	-177.6	57.2	0	0	0	0	114.6	I39 D44 Y45	I39-T48 HydrophobicContact CD1-CG2 4.5Å; I39-T48 HydrophobicContact CG2-CG2 3.71Å; D44-T48 WeakPolarHBondContact O-CG2 3.47Å; D44-T48 PolarHBondContact O-N 3.41Å; D44-T48 VanDerWaalsContact O-N 3.09Å; D44-T48 PolarHBondContact O-OG1 2.9Å; Y45-T48 PolarHBondContact O-N 3.25Å; Y45-T48 PolarHBondContact O-OG1 2.82Å
49	V	86.3	Confident	80.4	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.018	37%	0.365	C	S	.	.	S	Bend	trans	-113.9	165.3	-179.6	-57	0	0	0	0	111.5	K34 Y45 Y53 A54	K34-V49 WeakPolarHBondContact CE-O 3.31Å; K34-V49 PolarHBondContact NZ-O 3.16Å; Y45-V49 HydrophobicContact CE1-CG2 4.27Å; Y45-V49 HydrophobicContact CE2-CG1 4.3Å; Y45-V49 HydrophobicContact CE2-CG2 4.3Å; Y45-V49 WeakPolarHBondContact O-CG2 3.1Å; Y45-V49 PolarHBondContact O-N 3.43Å; V49-Y53 HydrophobicContact CB-CD1 3.92Å; V49-Y53 HydrophobicContact CG1-CD1 4.2Å; V49-Y53 HydrophobicContact CG1-CE1 4.47Å; V49-Y53 HydrophobicContact CG2-CD1 3.87Å; V49-A54 HydrophobicContact CG2-CB 3.96Å
50	G	84.1	Confident	80.9	Confident	17 Å²	17	63.6 Å²	63.6	18%	0.175	35%	0.347	C	S	.	.			trans	-66.5	142	176	0	0	0	0	0	110.9	S30 L52 Y53 A54	S30-G50 WeakPolarHBondContact OG-CA 3.49Å; S30-G50 PolarHBondContact OG-N 3.48Å; G50-L52 PolarHBondContact O-N 2.87Å; G50-Y53 PolarHBondContact O-N 3.04Å; G50-A54 PolarHBondContact O-N 3.21Å
51	S	81.9	Confident	81.4	Confident	96 Å²	96	63.4 Å²	63.4	67%	0.671	35%	0.345	S	S	*	.	H	α-helix	trans	-54.5	-39.2	-179.2	54.6	0	0	0	0	112.7	Y53 A54 V55	S51-Y53 PolarHBondContact O-N 2.75Å; S51-A54 PolarHBondContact O-N 2.94Å; S51-V55 WeakPolarHBondContact O-CG2 3.26Å; S51-V55 PolarHBondContact O-N 2.85Å
52	L	85.4	Confident	81.5	Confident	132 Å²	132	55.6 Å²	55.6	69%	0.691	31%	0.306	S	S	*	.	H	α-helix	trans	-60.9	-43	177.4	-175.6	66	0	0	0	112.2	G50 Y56	G50-L52 PolarHBondContact O-N 2.87Å; L52-Y56 WeakPolarHBondContact O-CB 3.49Å; L52-Y56 PolarHBondContact O-N 2.82Å; L52-Y56 VanDerWaalsContact O-N 3.09Å
53	Y	88.8	Confident	82.1	Confident	5 Å²	5	53.3 Å²	53.3	2%	0.02	29%	0.293	C	S	.	.	H	α-helix	trans	-69.8	-43.2	178.4	175.9	-109.8	0	0	0	111.4	D23 W26 C27 Y45 V49 G50 S51 V55 Y56 H57	D23-Y53 PolarHBondContact O-OH 3.43Å; D23-Y53 PolarHBondContact OD1-OH 3.07Å; D23-Y53 PolarHBondContact OD2-OH 3.34Å; W26-Y53 HydrophobicContact CB-CD2 4.17Å; W26-Y53 HydrophobicContact CB-CE2 3.96Å; W26-Y53 AromaticContact CD1-CD2 2.97Å; W26-Y53 AromaticContact CD1-CE2 3.65Å; W26-Y53 AromaticContact CD1-CG 3.53Å; W26-Y53 HydrophobicContact CD2-CD2 4.42Å; W26-Y53 AromaticContact CG-CD2 3.63Å; W26-Y53 HydrophobicContact CG-CD2 3.63Å; W26-Y53 AromaticContact CG-CE2 3.94Å; W26-Y53 HydrophobicContact CG-CE2 3.94Å; W26-Y53 AromaticContact NE1-CD2 3.47Å; W26-Y53 AromaticContact NE1-CG 3.85Å; C27-Y53 HydrophobicContact CB-CE1 3.65Å; C27-Y53 HydrophobicContact CB-CE2 4.43Å; C27-Y53 VanDerWaalsContact CB-OH 3.29Å; C27-Y53 WeakPolarHBondContact CB-OH 3.28Å; Y45-Y53 WeakPolarHBondContact OH-CE1 3.34Å; V49-Y53 HydrophobicContact CB-CD1 3.92Å; V49-Y53 HydrophobicContact CG1-CD1 4.2Å; V49-Y53 HydrophobicContact CG1-CE1 4.47Å; V49-Y53 HydrophobicContact CG2-CD1 3.87Å; G50-Y53 PolarHBondContact O-N 3.04Å; S51-Y53 PolarHBondContact O-N 2.75Å; Y53-V55 PolarHBondContact O-N 3.4Å; Y53-Y56 AromaticContact CD2-CD1 3.87Å; Y53-Y56 HydrophobicContact CD2-CD1 3.87Å; Y53-Y56 HydrophobicContact CD2-CE1 4.44Å; Y53-Y56 AromaticContact CE2-CD1 3.98Å; Y53-Y56 HydrophobicContact CE2-CD1 3.98Å; Y53-Y56 HydrophobicContact CE2-CE1 4.17Å; Y53-Y56 WeakPolarHBondContact O-CB 3.45Å; Y53-Y56 PolarHBondContact O-N 3.24Å; Y53-H57 HydrophobicContact CE1-CB 4.32Å; Y53-H57 HydrophobicContact CE2-CB 4.28Å; Y53-H57 WeakPolarHBondContact O-CB 3.33Å; Y53-H57 PolarHBondContact O-N 3.33Å; Y53-H57 PolarHBondContact OH-ND1 3.36Å
54	A	85.1	Confident	82.8	Confident	4 Å²	4	52.8 Å²	52.8	3%	0.033	29%	0.287	C	S	.	.	H	α-helix	trans	-57	-49	178.5	0	0	0	0	0	111.8	Y45 M46 V49 G50 S51 H57 V58	Y45-A54 HydrophobicContact CE1-CB 4.35Å; M46-A54 HydrophobicContact SD-CB 3.78Å; V49-A54 HydrophobicContact CG2-CB 3.96Å; G50-A54 PolarHBondContact O-N 3.21Å; S51-A54 PolarHBondContact O-N 2.94Å; A54-H57 PolarHBondContact O-N 3.24Å; A54-V58 WeakPolarHBondContact O-CB 3.39Å; A54-V58 WeakPolarHBondContact O-CG2 3.27Å; A54-V58 PolarHBondContact O-N 3.13Å
55	V	85.1	Confident	83.4	Confident	65 Å²	65	49.6 Å²	49.6	39%	0.394	27%	0.273	S	S	.	.	H	α-helix	trans	-62.5	-45.3	177.5	174.9	0	0	0	0	111	S51 Y53 H57 C59 I126	S51-V55 WeakPolarHBondContact O-CG2 3.26Å; S51-V55 PolarHBondContact O-N 2.85Å; Y53-V55 PolarHBondContact O-N 3.4Å; V55-H57 PolarHBondContact O-N 2.9Å; V55-C59 WeakPolarHBondContact O-CB 3.24Å; V55-C59 PolarHBondContact O-N 3.45Å; V55-C59 PolarHBondContact O-SG 3.18Å; V55-I126 HydrophobicContact CG2-CG2 4.31Å
56	Y	88.4	Confident	83.9	Confident	85 Å²	85	48 Å²	48	33%	0.333	28%	0.276	S	S	.	.	H	α-helix	trans	-56.2	-51.6	175.8	159.7	-95.1	0	0	0	111.6	D23 L52 Y53 C59 V60	D23-Y56 WeakPolarHBondContact OD1-CE1 3.31Å; L52-Y56 WeakPolarHBondContact O-CB 3.49Å; L52-Y56 PolarHBondContact O-N 2.82Å; L52-Y56 VanDerWaalsContact O-N 3.09Å; Y53-Y56 AromaticContact CD2-CD1 3.87Å; Y53-Y56 HydrophobicContact CD2-CD1 3.87Å; Y53-Y56 HydrophobicContact CD2-CE1 4.44Å; Y53-Y56 AromaticContact CE2-CD1 3.98Å; Y53-Y56 HydrophobicContact CE2-CD1 3.98Å; Y53-Y56 HydrophobicContact CE2-CE1 4.17Å; Y53-Y56 WeakPolarHBondContact O-CB 3.45Å; Y53-Y56 PolarHBondContact O-N 3.24Å; Y56-C59 PolarHBondContact O-N 3.41Å; Y56-V60 HydrophobicContact CD2-CG2 3.89Å; Y56-V60 HydrophobicContact CE1-CG2 4.33Å; Y56-V60 HydrophobicContact CE2-CG2 3.46Å; Y56-V60 VanDerWaalsContact CE2-CG2 3.46Å; Y56-V60 HydrophobicContact CG-CG2 4.49Å; Y56-V60 WeakPolarHBondContact O-CB 3.25Å; Y56-V60 WeakPolarHBondContact O-CG2 3.48Å; Y56-V60 PolarHBondContact O-N 2.97Å
57	H	88.1	Confident	84.4	Confident	45 Å²	45	49.1 Å²	49.1	21%	0.208	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-46.5	-174.2	-176.9	77.9	0	0	0	111.2	D23 Y45 Y53 A54 V55 C59 V60 V61	D23-H57 IonicContact OD1-ND1 3.31Å; D23-H57 PolarHBondContact OD1-ND1 2.94Å; D23-H57 VanDerWaalsContact OD1-ND1 3.14Å; D23-H57 IonicContact OD2-CE1 2.66Å; D23-H57 PolarHBondContact OD2-CE1 3.45Å; D23-H57 IonicContact OD2-ND1 3.07Å; D23-H57 PolarHBondContact OD2-ND1 2.98Å; Y45-H57 PolarHBondContact OH-CD2 3.34Å; Y45-H57 VanDerWaalsContact OH-CD2 3.3Å; Y53-H57 HydrophobicContact CE1-CB 4.32Å; Y53-H57 HydrophobicContact CE2-CB 4.28Å; Y53-H57 WeakPolarHBondContact O-CB 3.33Å; Y53-H57 PolarHBondContact O-N 3.33Å; Y53-H57 PolarHBondContact OH-ND1 3.36Å; A54-H57 PolarHBondContact O-N 3.24Å; V55-H57 PolarHBondContact O-N 2.9Å; H57-C59 VanDerWaalsContact C-N 3.35Å; H57-C59 PolarHBondContact O-N 2.9Å; H57-V60 PolarHBondContact O-N 2.93Å; H57-V61 WeakPolarHBondContact O-CB 3.05Å; H57-V61 WeakPolarHBondContact O-CG2 3.46Å; H57-V61 PolarHBondContact O-N 3.31Å
58	V	83.7	Confident	84.8	Confident	11 Å²	11	46.6 Å²	46.6	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-43.8	176.5	170.8	0	0	0	0	111.3	M46 A54 S62 M123	M46-V58 HydrophobicContact CE-CG2 4.3Å; A54-V58 WeakPolarHBondContact O-CB 3.39Å; A54-V58 WeakPolarHBondContact O-CG2 3.27Å; A54-V58 PolarHBondContact O-N 3.13Å; V58-S62 WeakPolarHBondContact O-CB 3.31Å; V58-S62 PolarHBondContact O-N 2.99Å; V58-S62 VanDerWaalsContact O-N 3.1Å; V58-S62 PolarHBondContact O-OG 3.42Å; V58-M123 HydrophobicContact CG1-CB 3.76Å; V58-M123 HydrophobicContact CG1-CG 4.36Å
59	C	85.7	Confident	85	Confident	42 Å²	42	46.3 Å²	46.3	28%	0.284	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-49.5	176	-70.6	0	0	0	0	111.6	V55 Y56 H57 S62 I63	V55-C59 WeakPolarHBondContact O-CB 3.24Å; V55-C59 PolarHBondContact O-N 3.45Å; V55-C59 PolarHBondContact O-SG 3.18Å; Y56-C59 PolarHBondContact O-N 3.41Å; H57-C59 VanDerWaalsContact C-N 3.35Å; H57-C59 PolarHBondContact O-N 2.9Å; C59-S62 PolarHBondContact O-N 3.46Å; C59-I63 WeakPolarHBondContact O-CB 3.42Å; C59-I63 WeakPolarHBondContact O-CD1 3.35Å; C59-I63 WeakPolarHBondContact O-CG1 3.44Å; C59-I63 PolarHBondContact O-N 3.44Å
60	V	86.8	Confident	84.9	Confident	28 Å²	28	49.1 Å²	49.1	17%	0.17	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-51.6	-178	157.4	0	0	0	0	111.7	F19 Y56 H57 S62 I63 V64	F19-V60 HydrophobicContact CE1-CG1 3.82Å; F19-V60 HydrophobicContact CZ-CG1 3.42Å; F19-V60 VanDerWaalsContact CZ-CG1 3.42Å; Y56-V60 HydrophobicContact CD2-CG2 3.89Å; Y56-V60 HydrophobicContact CE1-CG2 4.33Å; Y56-V60 HydrophobicContact CE2-CG2 3.46Å; Y56-V60 VanDerWaalsContact CE2-CG2 3.46Å; Y56-V60 HydrophobicContact CG-CG2 4.49Å; Y56-V60 WeakPolarHBondContact O-CB 3.25Å; Y56-V60 WeakPolarHBondContact O-CG2 3.48Å; Y56-V60 PolarHBondContact O-N 2.97Å; H57-V60 PolarHBondContact O-N 2.93Å; V60-S62 VanDerWaalsContact C-N 3.27Å; V60-S62 PolarHBondContact O-N 3.5Å; V60-I63 PolarHBondContact O-N 3.24Å; V60-V64 HydrophobicContact CG1-CG2 4.38Å; V60-V64 WeakPolarHBondContact O-CB 3.44Å; V60-V64 VanDerWaalsContact O-CG2 3.28Å; V60-V64 WeakPolarHBondContact O-CG2 3.47Å; V60-V64 PolarHBondContact O-N 3.37Å
61	V	84.1	Confident	85	Confident	38 Å²	38	52.8 Å²	52.8	23%	0.23	32%	0.319	C	S	.	.	H	α-helix	trans	-63.1	-38.6	-178	172.8	0	0	0	0	110.6	H57 G65 N119	H57-V61 WeakPolarHBondContact O-CB 3.05Å; H57-V61 WeakPolarHBondContact O-CG2 3.46Å; H57-V61 PolarHBondContact O-N 3.31Å; V61-G65 PolarHBondContact O-N 3.26Å; V61-N119 WeakPolarHBondContact CG1-ND2 3.3Å
62	S	82.3	Confident	85.1	Confident	4 Å²	4	52.4 Å²	52.4	3%	0.028	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-47.1	176.6	-62.5	0	0	0	0	112.1	V58 C59 V60 A66 N119 I120	V58-S62 WeakPolarHBondContact O-CB 3.31Å; V58-S62 PolarHBondContact O-N 2.99Å; V58-S62 VanDerWaalsContact O-N 3.1Å; V58-S62 PolarHBondContact O-OG 3.42Å; C59-S62 PolarHBondContact O-N 3.46Å; V60-S62 VanDerWaalsContact C-N 3.27Å; V60-S62 PolarHBondContact O-N 3.5Å; S62-A66 WeakPolarHBondContact O-CB 3.47Å; S62-A66 PolarHBondContact O-N 3.23Å; S62-N119 PolarHBondContact OG-O 3.16Å; S62-I120 PolarHBondContact OG-N 3.5Å
63	I	85.1	Confident	85.1	Confident	105 Å²	105	49 Å²	49	54%	0.538	29%	0.288	S	S	.	.	H	α-helix	trans	-65.9	-48.6	179.2	-68.3	165.8	0	0	0	110.9	C59 V60 G65 A66 V67	C59-I63 WeakPolarHBondContact O-CB 3.42Å; C59-I63 WeakPolarHBondContact O-CD1 3.35Å; C59-I63 WeakPolarHBondContact O-CG1 3.44Å; C59-I63 PolarHBondContact O-N 3.44Å; V60-I63 PolarHBondContact O-N 3.24Å; I63-G65 VanDerWaalsContact C-N 3.31Å; I63-G65 PolarHBondContact O-N 3.48Å; I63-A66 PolarHBondContact O-N 3.46Å; I63-V67 HydrophobicContact CG2-CG2 4.36Å; I63-V67 WeakPolarHBondContact O-CG2 3.3Å; I63-V67 PolarHBondContact O-N 3.5Å
64	V	84.8	Confident	85	Confident	74 Å²	74	51 Å²	51	45%	0.448	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-40.7	179.5	171.3	0	0	0	0	110.9	V60 S68	V60-V64 HydrophobicContact CG1-CG2 4.38Å; V60-V64 WeakPolarHBondContact O-CB 3.44Å; V60-V64 VanDerWaalsContact O-CG2 3.28Å; V60-V64 WeakPolarHBondContact O-CG2 3.47Å; V60-V64 PolarHBondContact O-N 3.37Å; V64-S68 WeakPolarHBondContact O-CB 3.41Å; V64-S68 PolarHBondContact O-N 3.09Å; V64-S68 PolarHBondContact O-OG 3.25Å
65	G	83.1	Confident	85	Confident	13 Å²	13	52.2 Å²	52.2	13%	0.134	32%	0.315	C	S	.	.	H	α-helix	trans	-58.7	-50.3	174	0	0	0	0	0	112.3	V61 I63 S68 I69	V61-G65 PolarHBondContact O-N 3.26Å; I63-G65 VanDerWaalsContact C-N 3.31Å; I63-G65 PolarHBondContact O-N 3.48Å; G65-S68 PolarHBondContact O-N 3.47Å; G65-I69 WeakPolarHBondContact O-CD1 3.5Å; G65-I69 PolarHBondContact O-N 2.93Å
66	A	82.9	Confident	84.9	Confident	44 Å²	44	50.8 Å²	50.8	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-45.8	179.2	0	0	0	0	0	112.9	S62 I63 S68 I69 A70	S62-A66 WeakPolarHBondContact O-CB 3.47Å; S62-A66 PolarHBondContact O-N 3.23Å; I63-A66 PolarHBondContact O-N 3.46Å; A66-S68 VanDerWaalsContact C-N 3.32Å; A66-S68 PolarHBondContact O-N 3.46Å; A66-I69 PolarHBondContact O-N 2.96Å; A66-A70 PolarHBondContact O-N 2.98Å; A66-A70 VanDerWaalsContact O-N 3.15Å
67	V	86	Confident	84.8	Confident	83 Å²	83	50.8 Å²	50.8	50%	0.503	31%	0.31	S	S	.	.	H	α-helix	trans	-61.4	-41.6	178.1	170.8	0	0	0	0	111.1	I63 I69 A70 V71	I63-V67 HydrophobicContact CG2-CG2 4.36Å; I63-V67 WeakPolarHBondContact O-CG2 3.3Å; I63-V67 PolarHBondContact O-N 3.5Å; V67-I69 VanDerWaalsContact C-N 3.33Å; V67-I69 PolarHBondContact O-N 3.02Å; V67-A70 PolarHBondContact O-N 3.36Å; V67-V71 HydrophobicContact CG1-CG2 4.39Å; V67-V71 WeakPolarHBondContact O-CG2 3.44Å; V67-V71 PolarHBondContact O-N 3.14Å
68	S	83.2	Confident	84.6	Confident	50 Å²	50	54.4 Å²	54.4	35%	0.35	33%	0.331	S	S	.	.	H	α-helix	trans	-57.2	-46.5	-180	-61.7	0	0	0	0	111.6	V64 G65 A66 V71 Y72	V64-S68 WeakPolarHBondContact O-CB 3.41Å; V64-S68 PolarHBondContact O-N 3.09Å; V64-S68 PolarHBondContact O-OG 3.25Å; G65-S68 PolarHBondContact O-N 3.47Å; A66-S68 VanDerWaalsContact C-N 3.32Å; A66-S68 PolarHBondContact O-N 3.46Å; S68-V71 PolarHBondContact O-N 3.04Å; S68-Y72 WeakPolarHBondContact O-CD2 3.46Å; S68-Y72 PolarHBondContact O-N 2.86Å
69	I	83.2	Confident	84.3	Confident	29 Å²	29	55.2 Å²	55.2	15%	0.149	33%	0.334	C	S	.	.	H	α-helix	trans	-67.5	-41.9	179.5	-62.2	141.2	0	0	0	111.4	G65 A66 V67 V71 Y72 V73 V108 F112	G65-I69 WeakPolarHBondContact O-CD1 3.5Å; G65-I69 PolarHBondContact O-N 2.93Å; A66-I69 PolarHBondContact O-N 2.96Å; V67-I69 VanDerWaalsContact C-N 3.33Å; V67-I69 PolarHBondContact O-N 3.02Å; I69-V71 PolarHBondContact O-N 3.49Å; I69-Y72 PolarHBondContact O-N 3.5Å; I69-Y72 VanDerWaalsContact O-N 3.14Å; I69-V73 HydrophobicContact CG2-CG2 3.97Å; I69-V73 WeakPolarHBondContact O-CB 3.5Å; I69-V73 WeakPolarHBondContact O-CG2 3.45Å; I69-V73 PolarHBondContact O-N 3.45Å; I69-V108 HydrophobicContact CG1-CG1 3.73Å; I69-F112 HydrophobicContact CD1-CB 3.37Å; I69-F112 HydrophobicContact CD1-CD1 4.04Å; I69-F112 HydrophobicContact CD1-CD2 2.91Å; I69-F112 HydrophobicContact CD1-CE1 4.5Å; I69-F112 HydrophobicContact CD1-CE2 3.5Å; I69-F112 HydrophobicContact CD1-CG 3.17Å; I69-F112 HydrophobicContact CD1-CZ 4.23Å; I69-F112 HydrophobicContact CG1-CB 4.06Å; I69-F112 HydrophobicContact CG1-CD2 4.3Å; I69-F112 HydrophobicContact CG1-CG 4.25Å
70	A	85.5	Confident	83.9	Confident	62 Å²	62	60.1 Å²	60.1	51%	0.512	36%	0.355	S	S	.	.	H	α-helix	trans	-56.8	-43.2	177.1	0	0	0	0	0	110.8	A66 V67 A74	A66-A70 PolarHBondContact O-N 2.98Å; A66-A70 VanDerWaalsContact O-N 3.15Å; V67-A70 PolarHBondContact O-N 3.36Å; A70-A74 WeakPolarHBondContact O-CB 3.38Å; A70-A74 PolarHBondContact O-N 2.93Å
71	V	86.6	Confident	83.6	Confident	93 Å²	93	68.5 Å²	68.5	56%	0.564	38%	0.383	S	S	*	.	H	α-helix	trans	-63.3	-45.6	175.1	173.1	0	0	0	0	111.6	V67 S68 I69 A74 A75	V67-V71 HydrophobicContact CG1-CG2 4.39Å; V67-V71 WeakPolarHBondContact O-CG2 3.44Å; V67-V71 PolarHBondContact O-N 3.14Å; S68-V71 PolarHBondContact O-N 3.04Å; I69-V71 PolarHBondContact O-N 3.49Å; V71-A74 PolarHBondContact O-N 3.35Å; V71-A75 VanDerWaalsContact O-CB 3.31Å; V71-A75 WeakPolarHBondContact O-CB 3.49Å; V71-A75 PolarHBondContact O-N 3.4Å
72	Y	84.2	Confident	83	Confident	88 Å²	88	73.1 Å²	73.1	35%	0.345	40%	0.397	S	S	.	.	H	α-helix	trans	-65.5	-42.7	179.2	-83.1	-68.6	0	0	0	113.3	S68 I69 A75 L76 V104 V108	S68-Y72 WeakPolarHBondContact O-CD2 3.46Å; S68-Y72 PolarHBondContact O-N 2.86Å; I69-Y72 PolarHBondContact O-N 3.5Å; I69-Y72 VanDerWaalsContact O-N 3.14Å; Y72-A75 PolarHBondContact O-N 2.9Å; Y72-L76 WeakPolarHBondContact O-CB 3.34Å; Y72-L76 PolarHBondContact O-N 3.03Å; Y72-V104 HydrophobicContact CD1-CG1 4.37Å; Y72-V104 HydrophobicContact CE1-CG1 3.57Å; Y72-V108 HydrophobicContact CD2-CB 4.21Å; Y72-V108 HydrophobicContact CD2-CG1 3.7Å; Y72-V108 HydrophobicContact CD2-CG2 3.62Å; Y72-V108 HydrophobicContact CE1-CG2 4.44Å; Y72-V108 HydrophobicContact CE2-CB 4.46Å; Y72-V108 HydrophobicContact CE2-CG1 4.24Å; Y72-V108 HydrophobicContact CE2-CG2 3.44Å; Y72-V108 VanDerWaalsContact CE2-CG2 3.44Å; Y72-V108 HydrophobicContact CG-CG1 4.37Å; Y72-V108 HydrophobicContact CG-CG2 4.22Å
73	V	84.2	Confident	82.1	Confident	62 Å²	62	82.3 Å²	82.3	38%	0.376	44%	0.436	S	S	.	.	H	α-helix	trans	-65.3	-43.9	176.7	172	0	0	0	0	110.1	I69 A75 L76 I77	I69-V73 HydrophobicContact CG2-CG2 3.97Å; I69-V73 WeakPolarHBondContact O-CB 3.5Å; I69-V73 WeakPolarHBondContact O-CG2 3.45Å; I69-V73 PolarHBondContact O-N 3.45Å; V73-A75 PolarHBondContact O-N 3.47Å; V73-L76 PolarHBondContact O-N 3.3Å; V73-I77 HydrophobicContact CG1-CD1 3.71Å; V73-I77 HydrophobicContact CG1-CG1 4.39Å; V73-I77 WeakPolarHBondContact O-CB 3.36Å; V73-I77 VanDerWaalsContact O-CG1 3.24Å; V73-I77 WeakPolarHBondContact O-CG1 3.3Å; V73-I77 PolarHBondContact O-N 2.67Å
74	A	87.5	Confident	81	Confident	46 Å²	46	79.3 Å²	79.3	38%	0.38	42%	0.424	S	S	.	.	H	α-helix	trans	-60.9	-44.6	174.7	0	0	0	0	0	111.8	A70 V71 L76 I77 L78	A70-A74 WeakPolarHBondContact O-CB 3.38Å; A70-A74 PolarHBondContact O-N 2.93Å; V71-A74 PolarHBondContact O-N 3.35Å; A74-L76 PolarHBondContact O-N 3.46Å; A74-I77 PolarHBondContact O-N 2.92Å; A74-L78 WeakPolarHBondContact O-CB 3.44Å; A74-L78 VanDerWaalsContact O-CG 3.23Å; A74-L78 WeakPolarHBondContact O-CG 3.45Å; A74-L78 PolarHBondContact O-N 3.03Å
75	A	85.4	Confident	79.7	Confident	30 Å²	30	81.7 Å²	81.7	25%	0.248	44%	0.444	C	S	.	.	H	α-helix	trans	-60.7	-43.8	176.6	0	0	0	0	0	111.8	V71 Y72 V73 L78 L79 M101	V71-A75 VanDerWaalsContact O-CB 3.31Å; V71-A75 WeakPolarHBondContact O-CB 3.49Å; V71-A75 PolarHBondContact O-N 3.4Å; Y72-A75 PolarHBondContact O-N 2.9Å; V73-A75 PolarHBondContact O-N 3.47Å; A75-L78 PolarHBondContact O-N 3.25Å; A75-L79 WeakPolarHBondContact O-CG 3.48Å; A75-L79 PolarHBondContact O-N 3.27Å; A75-M101 HydrophobicContact CB-CE 3.84Å; A75-M101 HydrophobicContact CB-SD 4.09Å
76	L	83	Confident	78.3	Confident	35 Å²	35	82.2 Å²	82.2	18%	0.183	45%	0.446	C	S	.	.	H	α-helix	trans	-64.6	-45	176.9	-176.1	66.8	0	0	0	111.4	Y72 V73 A74 L78 L79 M80 M101 L105	Y72-L76 WeakPolarHBondContact O-CB 3.34Å; Y72-L76 PolarHBondContact O-N 3.03Å; V73-L76 PolarHBondContact O-N 3.3Å; A74-L76 PolarHBondContact O-N 3.46Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 3.23Å; L76-L79 PolarHBondContact O-N 3.34Å; L76-M80 HydrophobicContact CD1-CG 4.33Å; L76-M80 HydrophobicContact CD1-SD 4.41Å; L76-M80 HydrophobicContact CD2-SD 4.39Å; L76-M80 HydrophobicContact CG-CG 4.34Å; L76-M80 HydrophobicContact CG-SD 4.05Å; L76-M80 WeakPolarHBondContact O-CB 3.32Å; L76-M80 VanDerWaalsContact O-CG 3.28Å; L76-M80 WeakPolarHBondContact O-CG 3.4Å; L76-M80 PolarHBondContact O-N 3.3Å; L76-M101 VanDerWaalsContact CA-SD 3.51Å; L76-M101 HydrophobicContact CB-SD 3.84Å; L76-M101 HydrophobicContact CD1-CG 4.34Å; L76-M101 HydrophobicContact CD1-SD 4.01Å; L76-M101 PolarHBondContact N-SD 3.45Å; L76-L105 HydrophobicContact CD2-CD2 3.58Å
77	I	84.6	Confident	77.3	Confident	84 Å²	84	81.2 Å²	81.2	43%	0.431	44%	0.436	S	S	.	.	H	α-helix	trans	-60.8	-43.2	176.3	-69	167.7	0	0	0	110.4	V73 A74 M80 R81	V73-I77 HydrophobicContact CG1-CD1 3.71Å; V73-I77 HydrophobicContact CG1-CG1 4.39Å; V73-I77 WeakPolarHBondContact O-CB 3.36Å; V73-I77 VanDerWaalsContact O-CG1 3.24Å; V73-I77 WeakPolarHBondContact O-CG1 3.3Å; V73-I77 PolarHBondContact O-N 2.67Å; A74-I77 PolarHBondContact O-N 2.92Å; I77-M80 PolarHBondContact O-N 3.17Å; I77-R81 HydrophobicContact CG2-CG 4.06Å; I77-R81 VanDerWaalsContact O-CB 3.28Å; I77-R81 WeakPolarHBondContact O-CB 3.31Å; I77-R81 VanDerWaalsContact O-CG 3.24Å; I77-R81 WeakPolarHBondContact O-CG 3.24Å; I77-R81 PolarHBondContact O-N 2.89Å
78	L	84	Confident	76.1	Confident	122 Å²	122	78.5 Å²	78.5	64%	0.639	43%	0.425	S	S	*	.	H	α-helix	trans	-63.1	-41.4	177.3	-73.1	173.1	0	0	0	111.7	A74 A75 L76 R82	A74-L78 WeakPolarHBondContact O-CB 3.44Å; A74-L78 VanDerWaalsContact O-CG 3.23Å; A74-L78 WeakPolarHBondContact O-CG 3.45Å; A74-L78 PolarHBondContact O-N 3.03Å; A75-L78 PolarHBondContact O-N 3.25Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 3.23Å; L78-R82 WeakPolarHBondContact O-CB 3.31Å; L78-R82 PolarHBondContact O-N 2.83Å; L78-R82 VanDerWaalsContact O-N 3.1Å
79	L	78.7	Confident	75	Confident	27 Å²	27	77.2 Å²	77.2	14%	0.141	42%	0.415	C	S	.	.	H	α-helix	trans	-64.3	-44.1	174	-75	-173.9	0	0	0	111.9	A75 L76 R82 E97 M101	A75-L79 WeakPolarHBondContact O-CG 3.48Å; A75-L79 PolarHBondContact O-N 3.27Å; L76-L79 PolarHBondContact O-N 3.34Å; L79-R82 WeakPolarHBondContact O-CB 3.41Å; L79-R82 PolarHBondContact O-N 2.92Å; L79-E97 HydrophobicContact CD1-CB 4.37Å; L79-M101 HydrophobicContact CD1-CE 3.29Å; L79-M101 HydrophobicContact CD1-SD 3.61Å; L79-M101 HydrophobicContact CG-CE 4.14Å; L79-M101 HydrophobicContact CG-SD 4.43Å
80	M	77.2	Confident	74.3	Confident	145 Å²	145	79.1 Å²	79.1	71%	0.714	42%	0.421	S	S	*	.	H	α-helix	trans	-69.4	-34.7	179.6	-70.9	-175.6	74.4	0	0	112.9	L76 I77 R82	L76-M80 HydrophobicContact CD1-CG 4.33Å; L76-M80 HydrophobicContact CD1-SD 4.41Å; L76-M80 HydrophobicContact CD2-SD 4.39Å; L76-M80 HydrophobicContact CG-CG 4.34Å; L76-M80 HydrophobicContact CG-SD 4.05Å; L76-M80 WeakPolarHBondContact O-CB 3.32Å; L76-M80 VanDerWaalsContact O-CG 3.28Å; L76-M80 WeakPolarHBondContact O-CG 3.4Å; L76-M80 PolarHBondContact O-N 3.3Å; I77-M80 PolarHBondContact O-N 3.17Å; M80-R82 VanDerWaalsContact C-N 3.3Å
81	R	79.6	Confident	73.4	Confident	204 Å²	204	77.3 Å²	77.3	77%	0.77	41%	0.406	S	S	*	.	H	α-helix	trans	-76.7	-18.1	176.6	-71.7	-176.2	85.5	176.6	7.6	112.6	I77 K83	I77-R81 HydrophobicContact CG2-CG 4.06Å; I77-R81 VanDerWaalsContact O-CB 3.28Å; I77-R81 WeakPolarHBondContact O-CB 3.31Å; I77-R81 VanDerWaalsContact O-CG 3.24Å; I77-R81 WeakPolarHBondContact O-CG 3.24Å; I77-R81 PolarHBondContact O-N 2.89Å; R81-K83 VanDerWaalsContact C-N 3.26Å; R81-K83 PolarHBondContact O-N 3.48Å
82	R	73	Confident	72.5	Confident	135 Å²	135	74 Å²	74	51%	0.509	39%	0.385	S	S	.	.			trans	-70.9	86.8	175.3	-157	177.3	-159.2	-166.9	5.5	108.8	L78 L79 M80 S84	L78-R82 WeakPolarHBondContact O-CB 3.31Å; L78-R82 PolarHBondContact O-N 2.83Å; L78-R82 VanDerWaalsContact O-N 3.1Å; L79-R82 WeakPolarHBondContact O-CB 3.41Å; L79-R82 PolarHBondContact O-N 2.92Å; M80-R82 VanDerWaalsContact C-N 3.3Å; R82-S84 PolarHBondContact O-N 3.23Å
83	K	61.9	Low	71.7	Confident	197 Å²	197	72.2 Å²	72.2	86%	0.857	38%	0.381	S	S	*	.			trans	-59.8	107.9	168.9	-155.3	175.4	-174.3	-178.7	0	106.5	R81 S85	R81-K83 VanDerWaalsContact C-N 3.26Å; R81-K83 PolarHBondContact O-N 3.48Å; K83-S85 VanDerWaalsContact C-N 3.34Å; K83-S85 PolarHBondContact O-N 3.24Å
84	S	62.2	Low	71.2	Confident	42 Å²	42	70.2 Å²	70.2	29%	0.294	37%	0.367	S	S	.	.			trans	-62.6	98.4	174.8	-179.8	0	0	0	0	107.6	R82 S86	R82-S84 PolarHBondContact O-N 3.23Å; S84-S86 PolarHBondContact OG-O 3.05Å; S84-S86 PolarHBondContact OG-OG 2.91Å
85	S	58.1	Low	70.7	Confident	124 Å²	124	77 Å²	77	87%	0.867	38%	0.383	S	S	*	.			trans	-81.6	-7.7	164.7	70.5	0	0	0	0	111.6	K83	K83-S85 VanDerWaalsContact C-N 3.34Å; K83-S85 PolarHBondContact O-N 3.24Å
86	S	54.2	Low	70.1	Confident	25 Å²	25	80.1 Å²	80.1	18%	0.175	39%	0.388	C	S	.	.	S	Bend	trans	-86.1	154.2	179.5	47.8	0	0	0	0	111	S84 R90	S84-S86 PolarHBondContact OG-O 3.05Å; S84-S86 PolarHBondContact OG-OG 2.91Å; S86-R90 VanDerWaalsContact CB-CD 3.49Å; S86-R90 WeakPolarHBondContact OG-CB 3.15Å; S86-R90 WeakPolarHBondContact OG-CD 3.45Å; S86-R90 WeakPolarHBondContact OG-CG 3.4Å; S86-R90 PolarHBondContact OG-NE 3.28Å
87	S	61	Low	69.9	Low	22 Å²	22	82 Å²	82	15%	0.154	40%	0.397	C	S	.	.			trans	-55.9	173.6	-172.7	-16.5	0	0	0	0	114.8	V89 R90 A91 G355 D421	S87-V89 VanDerWaalsContact C-N 3.28Å; S87-V89 PolarHBondContact O-N 3.47Å; S87-V89 VanDerWaalsContact O-N 3.11Å; S87-R90 PolarHBondContact O-N 2.84Å; S87-R90 VanDerWaalsContact O-N 3.09Å; S87-A91 PolarHBondContact O-N 2.75Å; S87-A91 VanDerWaalsContact O-N 3.14Å; S87-G355 WeakPolarHBondContact CB-O 3.39Å; S87-G355 PolarHBondContact OG-O 3.44Å; S87-D421 WeakPolarHBondContact CB-OD1 3.45Å; S87-D421 WeakPolarHBondContact CB-OD2 3.24Å; S87-D421 PolarHBondContact OG-OD1 3.29Å; S87-D421 PolarHBondContact OG-OD2 3.43Å
88	G	61.9	Low	69.7	Low	27 Å²	27	79.4 Å²	79.4	28%	0.278	39%	0.387	S	S	.	.	H	α-helix	trans	-47.6	-44	-171	0	0	0	0	0	114.6	R90 A91 V92 E354	G88-R90 PolarHBondContact O-N 2.97Å; G88-A91 WeakPolarHBondContact O-CB 3.32Å; G88-A91 PolarHBondContact O-N 3.17Å; G88-V92 VanDerWaalsContact O-CG2 3.32Å; G88-V92 WeakPolarHBondContact O-CG2 3.38Å; G88-V92 PolarHBondContact O-N 3.33Å; G88-E354 PolarHBondContact N-O 2.85Å
89	V	59.3	Low	69.3	Low	23 Å²	23	75.7 Å²	75.7	14%	0.139	37%	0.374	C	S	.	.	H	α-helix	trans	-60.4	-47.1	-178.1	-176	0	0	0	0	111.9	S87 V92 Q93 L353 Y414 L418	S87-V89 VanDerWaalsContact C-N 3.28Å; S87-V89 PolarHBondContact O-N 3.47Å; S87-V89 VanDerWaalsContact O-N 3.11Å; V89-V92 PolarHBondContact O-N 3.05Å; V89-Q93 PolarHBondContact O-N 2.82Å; V89-L353 HydrophobicContact CG2-CD2 3.53Å; V89-Y414 HydrophobicContact CG1-CE2 4.2Å; V89-L418 HydrophobicContact CG1-CD1 4.49Å
90	R	67.8	Low	69.3	Low	68 Å²	68	78.6 Å²	78.6	26%	0.257	39%	0.393	S	S	.	.	H	α-helix	trans	-72.6	-31.4	-179.3	-177	163.6	156.4	-161.4	-5.3	112.2	S86 S87 G88 V92 Q93 I94	S86-R90 VanDerWaalsContact CB-CD 3.49Å; S86-R90 WeakPolarHBondContact OG-CB 3.15Å; S86-R90 WeakPolarHBondContact OG-CD 3.45Å; S86-R90 WeakPolarHBondContact OG-CG 3.4Å; S86-R90 PolarHBondContact OG-NE 3.28Å; S87-R90 PolarHBondContact O-N 2.84Å; S87-R90 VanDerWaalsContact O-N 3.09Å; G88-R90 PolarHBondContact O-N 2.97Å; R90-V92 VanDerWaalsContact C-N 3.35Å; R90-Q93 PolarHBondContact O-N 2.82Å; R90-I94 HydrophobicContact CG-CD1 4.29Å; R90-I94 WeakPolarHBondContact O-CG1 3.27Å; R90-I94 PolarHBondContact O-N 2.66Å
91	A	67.8	Low	69.4	Low	24 Å²	24	73.5 Å²	73.5	20%	0.198	37%	0.368	C	S	.	.	H	α-helix	trans	-63	-43.5	171.4	0	0	0	0	0	111.3	S87 G88 I94 R95	S87-A91 PolarHBondContact O-N 2.75Å; S87-A91 VanDerWaalsContact O-N 3.14Å; G88-A91 WeakPolarHBondContact O-CB 3.32Å; G88-A91 PolarHBondContact O-N 3.17Å; A91-I94 PolarHBondContact O-N 3.31Å; A91-R95 WeakPolarHBondContact O-CG 3.41Å; A91-R95 PolarHBondContact O-N 3.1Å; A91-R95 VanDerWaalsContact O-N 3.1Å
92	V	66.7	Low	69.3	Low	23 Å²	23	71.3 Å²	71.3	14%	0.139	36%	0.364	C	S	.	.	H	α-helix	trans	-62.3	-42.3	174	172.2	0	0	0	0	111	G88 V89 R90 I94 R95 R96	G88-V92 VanDerWaalsContact O-CG2 3.32Å; G88-V92 WeakPolarHBondContact O-CG2 3.38Å; G88-V92 PolarHBondContact O-N 3.33Å; V89-V92 PolarHBondContact O-N 3.05Å; R90-V92 VanDerWaalsContact C-N 3.35Å; V92-I94 PolarHBondContact O-N 2.82Å; V92-R95 PolarHBondContact O-N 2.83Å; V92-R96 WeakPolarHBondContact O-CG 3.47Å; V92-R96 PolarHBondContact O-N 3.23Å
93	Q	67.6	Low	69.5	Low	52 Å²	52	70.6 Å²	70.6	24%	0.243	37%	0.366	C	S	.	.	H	α-helix	trans	-57.8	-50.4	174.8	-177.4	-174.8	-10.2	0	0	112.1	V89 R90 R95 R96 E97 Y414	V89-Q93 PolarHBondContact O-N 2.82Å; R90-Q93 PolarHBondContact O-N 2.82Å; Q93-R95 VanDerWaalsContact C-N 3.25Å; Q93-R95 PolarHBondContact O-N 3.25Å; Q93-R96 WeakPolarHBondContact O-CB 3.37Å; Q93-R96 PolarHBondContact O-N 2.78Å; Q93-R96 VanDerWaalsContact O-N 3.08Å; Q93-E97 HydrophobicContact CG-CG 4.38Å; Q93-E97 PolarHBondContact NE2-OE1 3.26Å; Q93-E97 WeakPolarHBondContact O-CG 3.36Å; Q93-E97 PolarHBondContact O-N 3.16Å; Q93-Y414 WeakPolarHBondContact CG-OH 3.2Å; Q93-Y414 PolarHBondContact OE1-OH 3.31Å
94	I	74.6	Confident	70.3	Confident	19 Å²	19	63.7 Å²	63.7	10%	0.097	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-37.8	-179	-69.3	167.5	0	0	0	110.7	R90 A91 V92 A98	R90-I94 HydrophobicContact CG-CD1 4.29Å; R90-I94 WeakPolarHBondContact O-CG1 3.27Å; R90-I94 PolarHBondContact O-N 2.66Å; A91-I94 PolarHBondContact O-N 3.31Å; V92-I94 PolarHBondContact O-N 2.82Å; I94-A98 VanDerWaalsContact O-CB 3.3Å; I94-A98 WeakPolarHBondContact O-CB 3.34Å; I94-A98 PolarHBondContact O-N 2.84Å
95	R	75.9	Confident	71.2	Confident	190 Å²	190	63.5 Å²	63.5	72%	0.717	34%	0.336	S	S	*	.	H	α-helix	trans	-63.7	-42	174.5	-71.3	176.4	-175.7	-173.9	4.1	112	A91 V92 Q93 A98 A99	A91-R95 WeakPolarHBondContact O-CG 3.41Å; A91-R95 PolarHBondContact O-N 3.1Å; A91-R95 VanDerWaalsContact O-N 3.1Å; V92-R95 PolarHBondContact O-N 2.83Å; Q93-R95 VanDerWaalsContact C-N 3.25Å; Q93-R95 PolarHBondContact O-N 3.25Å; R95-A98 PolarHBondContact O-N 2.78Å; R95-A99 WeakPolarHBondContact O-CB 3.4Å; R95-A99 PolarHBondContact O-N 3.38Å
96	R	72.7	Confident	72.2	Confident	94 Å²	94	60.5 Å²	60.5	36%	0.355	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-46.9	176.4	-70	174.3	-178.4	179.2	3.4	111.7	V92 Q93 A98 A99 V100 F314	V92-R96 WeakPolarHBondContact O-CG 3.47Å; V92-R96 PolarHBondContact O-N 3.23Å; Q93-R96 WeakPolarHBondContact O-CB 3.37Å; Q93-R96 PolarHBondContact O-N 2.78Å; Q93-R96 VanDerWaalsContact O-N 3.08Å; R96-A98 VanDerWaalsContact C-N 3.31Å; R96-A98 PolarHBondContact O-N 3.39Å; R96-A99 PolarHBondContact O-N 3.28Å; R96-V100 WeakPolarHBondContact O-CG2 3.43Å; R96-V100 PolarHBondContact O-N 2.76Å; R96-F314 PolarHBondContact NH2-O 3.27Å
97	E	79.2	Confident	73.3	Confident	76 Å²	76	63.3 Å²	63.3	36%	0.355	32%	0.319	S	S	.	.	H	α-helix	trans	-59.8	-42	176.2	-72.6	178.4	-175.2	0	0	111.4	L79 Q93 M101	L79-E97 HydrophobicContact CD1-CB 4.37Å; Q93-E97 HydrophobicContact CG-CG 4.38Å; Q93-E97 PolarHBondContact NE2-OE1 3.26Å; Q93-E97 WeakPolarHBondContact O-CG 3.36Å; Q93-E97 PolarHBondContact O-N 3.16Å; E97-M101 WeakPolarHBondContact O-CB 3.46Å; E97-M101 PolarHBondContact O-N 3.05Å
98	A	79.5	Confident	74.2	Confident	28 Å²	28	63.2 Å²	63.2	23%	0.231	32%	0.318	C	S	.	.	H	α-helix	trans	-64.9	-39	175.3	0	0	0	0	0	112.7	I94 R95 R96 M101 K102	I94-A98 VanDerWaalsContact O-CB 3.3Å; I94-A98 WeakPolarHBondContact O-CB 3.34Å; I94-A98 PolarHBondContact O-N 2.84Å; R95-A98 PolarHBondContact O-N 2.78Å; R96-A98 VanDerWaalsContact C-N 3.31Å; R96-A98 PolarHBondContact O-N 3.39Å; A98-M101 PolarHBondContact O-N 3.07Å; A98-K102 WeakPolarHBondContact O-CB 3.49Å; A98-K102 PolarHBondContact O-N 3.42Å
99	A	76.4	Confident	75.1	Confident	44 Å²	44	66 Å²	66	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-65.5	-46.4	177.1	0	0	0	0	0	111.9	R95 R96 M101 K102 Q103	R95-A99 WeakPolarHBondContact O-CB 3.4Å; R95-A99 PolarHBondContact O-N 3.38Å; R96-A99 PolarHBondContact O-N 3.28Å; A99-M101 VanDerWaalsContact C-N 3.35Å; A99-K102 WeakPolarHBondContact O-CB 3.28Å; A99-K102 PolarHBondContact O-N 3.15Å; A99-Q103 PolarHBondContact O-N 3.1Å
100	V	79	Confident	76.1	Confident	88 Å²	88	65.6 Å²	65.6	53%	0.533	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-44.4	174.5	175.9	0	0	0	0	110.2	R96 K102 Q103 V104	R96-V100 WeakPolarHBondContact O-CG2 3.43Å; R96-V100 PolarHBondContact O-N 2.76Å; V100-K102 VanDerWaalsContact C-N 3.31Å; V100-K102 PolarHBondContact O-N 3.04Å; V100-Q103 WeakPolarHBondContact O-CB 3.28Å; V100-Q103 PolarHBondContact O-N 2.92Å; V100-Q103 VanDerWaalsContact O-N 3.15Å; V100-V104 WeakPolarHBondContact O-CG2 3.31Å; V100-V104 PolarHBondContact O-N 2.94Å; V100-V104 VanDerWaalsContact O-N 3.09Å
101	M	78.6	Confident	76.6	Confident	39 Å²	39	64.5 Å²	64.5	19%	0.192	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-37.1	177.4	-172	175.2	-72.9	0	0	112.1	A75 L76 L79 E97 A98 A99 Q103 V104 L105	A75-M101 HydrophobicContact CB-CE 3.84Å; A75-M101 HydrophobicContact CB-SD 4.09Å; L76-M101 VanDerWaalsContact CA-SD 3.51Å; L76-M101 HydrophobicContact CB-SD 3.84Å; L76-M101 HydrophobicContact CD1-CG 4.34Å; L76-M101 HydrophobicContact CD1-SD 4.01Å; L76-M101 PolarHBondContact N-SD 3.45Å; L79-M101 HydrophobicContact CD1-CE 3.29Å; L79-M101 HydrophobicContact CD1-SD 3.61Å; L79-M101 HydrophobicContact CG-CE 4.14Å; L79-M101 HydrophobicContact CG-SD 4.43Å; E97-M101 WeakPolarHBondContact O-CB 3.46Å; E97-M101 PolarHBondContact O-N 3.05Å; A98-M101 PolarHBondContact O-N 3.07Å; A99-M101 VanDerWaalsContact C-N 3.35Å; M101-Q103 VanDerWaalsContact C-N 3.34Å; M101-Q103 PolarHBondContact O-N 3.08Å; M101-V104 PolarHBondContact O-N 3.15Å; M101-L105 VanDerWaalsContact O-CB 3.27Å; M101-L105 WeakPolarHBondContact O-CB 3.29Å; M101-L105 PolarHBondContact O-N 3.47Å
102	K	77.4	Confident	77.2	Confident	157 Å²	157	65.2 Å²	65.2	68%	0.683	32%	0.323	S	S	*	.	H	α-helix	trans	-62.6	-39.2	175.3	-173.2	-179.2	179	-176.2	0	112	A98 A99 V100 L105 F106	A98-K102 WeakPolarHBondContact O-CB 3.49Å; A98-K102 PolarHBondContact O-N 3.42Å; A99-K102 WeakPolarHBondContact O-CB 3.28Å; A99-K102 PolarHBondContact O-N 3.15Å; V100-K102 VanDerWaalsContact C-N 3.31Å; V100-K102 PolarHBondContact O-N 3.04Å; K102-L105 PolarHBondContact O-N 3.22Å; K102-F106 PolarHBondContact O-N 3.46Å
103	Q	78.4	Confident	77.8	Confident	121 Å²	121	68.3 Å²	68.3	57%	0.565	34%	0.339	S	S	*	.	H	α-helix	trans	-67.4	-38.7	176.1	-66.7	-177.2	-1.3	0	0	112.4	A99 V100 M101	A99-Q103 PolarHBondContact O-N 3.1Å; V100-Q103 WeakPolarHBondContact O-CB 3.28Å; V100-Q103 PolarHBondContact O-N 2.92Å; V100-Q103 VanDerWaalsContact O-N 3.15Å; M101-Q103 VanDerWaalsContact C-N 3.34Å; M101-Q103 PolarHBondContact O-N 3.08Å
104	V	79	Confident	78.3	Confident	52 Å²	52	67.8 Å²	67.8	32%	0.315	34%	0.336	S	S	.	.	H	α-helix	trans	-68.8	-42.5	174.7	177	0	0	0	0	110.5	Y72 V100 M101 F106 I107 V108	Y72-V104 HydrophobicContact CD1-CG1 4.37Å; Y72-V104 HydrophobicContact CE1-CG1 3.57Å; V100-V104 WeakPolarHBondContact O-CG2 3.31Å; V100-V104 PolarHBondContact O-N 2.94Å; V100-V104 VanDerWaalsContact O-N 3.09Å; M101-V104 PolarHBondContact O-N 3.15Å; V104-F106 VanDerWaalsContact C-N 3.27Å; V104-F106 PolarHBondContact O-N 3.46Å; V104-I107 WeakPolarHBondContact O-CB 3.38Å; V104-I107 PolarHBondContact O-N 3.4Å; V104-I107 VanDerWaalsContact O-N 3.09Å; V104-V108 HydrophobicContact CG1-CG2 4.23Å; V104-V108 WeakPolarHBondContact O-CG2 3.31Å; V104-V108 PolarHBondContact O-N 2.91Å
105	L	80.3	Confident	78.3	Confident	38 Å²	38	69.1 Å²	69.1	20%	0.199	34%	0.343	C	S	.	.	H	α-helix	trans	-59.4	-38.3	177.5	-179.9	64.1	0	0	0	111.7	L76 M101 K102 I107 V108 L109	L76-L105 HydrophobicContact CD2-CD2 3.58Å; M101-L105 VanDerWaalsContact O-CB 3.27Å; M101-L105 WeakPolarHBondContact O-CB 3.29Å; M101-L105 PolarHBondContact O-N 3.47Å; K102-L105 PolarHBondContact O-N 3.22Å; L105-I107 PolarHBondContact O-N 3.49Å; L105-V108 PolarHBondContact O-N 3.05Å; L105-L109 WeakPolarHBondContact O-CB 3.35Å; L105-L109 PolarHBondContact O-N 3.41Å
106	F	79.3	Confident	78.5	Confident	61 Å²	61	60.4 Å²	60.4	27%	0.268	31%	0.311	S	S	.	.	H	α-helix	trans	-58.9	-46.4	174.4	176.3	-94.5	0	0	0	112	K102 V104 L109 V110 Y152	K102-F106 PolarHBondContact O-N 3.46Å; V104-F106 VanDerWaalsContact C-N 3.27Å; V104-F106 PolarHBondContact O-N 3.46Å; F106-L109 PolarHBondContact O-N 2.91Å; F106-V110 HydrophobicContact CD1-CG2 4.33Å; F106-V110 HydrophobicContact CE1-CG2 3.86Å; F106-V110 HydrophobicContact CE2-CG2 4.16Å; F106-V110 HydrophobicContact CZ-CG2 3.78Å; F106-V110 WeakPolarHBondContact O-CB 3.43Å; F106-V110 VanDerWaalsContact O-CG2 3.32Å; F106-V110 WeakPolarHBondContact O-CG2 3.39Å; F106-V110 PolarHBondContact O-N 2.88Å; F106-Y152 HydrophobicContact CD1-CD1 4.02Å; F106-Y152 AromaticContact CD1-CE1 3.9Å; F106-Y152 HydrophobicContact CD1-CE1 3.9Å; F106-Y152 HydrophobicContact CD2-CE1 4.44Å; F106-Y152 AromaticContact CE1-CD1 3.21Å; F106-Y152 HydrophobicContact CE1-CD1 3.21Å; F106-Y152 AromaticContact CE1-CE1 3.52Å; F106-Y152 HydrophobicContact CE1-CE1 3.52Å; F106-Y152 HydrophobicContact CE1-CG 4.03Å; F106-Y152 HydrophobicContact CE2-CD1 4.22Å; F106-Y152 HydrophobicContact CE2-CE1 4.09Å; F106-Y152 HydrophobicContact CG-CE1 4.34Å; F106-Y152 AromaticContact CZ-CD1 3.33Å; F106-Y152 HydrophobicContact CZ-CD1 3.33Å; F106-Y152 HydrophobicContact CZ-CD2 4.36Å; F106-Y152 AromaticContact CZ-CE1 3.62Å; F106-Y152 HydrophobicContact CZ-CE1 3.62Å; F106-Y152 AromaticContact CZ-CG 3.73Å; F106-Y152 HydrophobicContact CZ-CG 3.73Å
107	I	77.2	Confident	78.8	Confident	83 Å²	83	59.4 Å²	59.4	43%	0.426	31%	0.311	S	S	.	.	H	α-helix	trans	-61.8	-47.5	177.7	-62.8	170	0	0	0	109.8	V104 L105 L109 V110 T111	V104-I107 WeakPolarHBondContact O-CB 3.38Å; V104-I107 PolarHBondContact O-N 3.4Å; V104-I107 VanDerWaalsContact O-N 3.09Å; L105-I107 PolarHBondContact O-N 3.49Å; I107-L109 VanDerWaalsContact C-N 3.33Å; I107-L109 PolarHBondContact O-N 3.34Å; I107-V110 PolarHBondContact O-N 3.21Å; I107-T111 PolarHBondContact O-N 2.99Å; I107-T111 PolarHBondContact O-OG1 3.47Å
108	V	80.5	Confident	78.9	Confident	21 Å²	21	56.2 Å²	56.2	13%	0.127	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-41.3	179.2	172.9	0	0	0	0	111.7	I69 Y72 V104 L105 T111 F112	I69-V108 HydrophobicContact CG1-CG1 3.73Å; Y72-V108 HydrophobicContact CD2-CB 4.21Å; Y72-V108 HydrophobicContact CD2-CG1 3.7Å; Y72-V108 HydrophobicContact CD2-CG2 3.62Å; Y72-V108 HydrophobicContact CE1-CG2 4.44Å; Y72-V108 HydrophobicContact CE2-CB 4.46Å; Y72-V108 HydrophobicContact CE2-CG1 4.24Å; Y72-V108 HydrophobicContact CE2-CG2 3.44Å; Y72-V108 VanDerWaalsContact CE2-CG2 3.44Å; Y72-V108 HydrophobicContact CG-CG1 4.37Å; Y72-V108 HydrophobicContact CG-CG2 4.22Å; V104-V108 HydrophobicContact CG1-CG2 4.23Å; V104-V108 WeakPolarHBondContact O-CG2 3.31Å; V104-V108 PolarHBondContact O-N 2.91Å; L105-V108 PolarHBondContact O-N 3.05Å; V108-T111 PolarHBondContact O-N 3.12Å; V108-F112 WeakPolarHBondContact O-CB 3.5Å; V108-F112 PolarHBondContact O-N 2.81Å
109	L	80.7	Confident	78.9	Confident	84 Å²	84	56.5 Å²	56.5	44%	0.44	30%	0.295	S	S	.	.	H	α-helix	trans	-65.1	-43.9	177.8	-178.6	68.7	0	0	0	111.4	L105 F106 I107 F112 L113	L105-L109 WeakPolarHBondContact O-CB 3.35Å; L105-L109 PolarHBondContact O-N 3.41Å; F106-L109 PolarHBondContact O-N 2.91Å; I107-L109 VanDerWaalsContact C-N 3.33Å; I107-L109 PolarHBondContact O-N 3.34Å; L109-F112 WeakPolarHBondContact O-CB 3.44Å; L109-F112 PolarHBondContact O-N 3Å; L109-L113 HydrophobicContact CD1-CD1 4.37Å; L109-L113 HydrophobicContact CG-CD1 4.1Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.38Å; L109-L113 PolarHBondContact O-N 3.41Å
110	V	80.4	Confident	79.1	Confident	15 Å²	15	56.2 Å²	56.2	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-60.6	-49.8	173.6	163.8	0	0	0	0	110.3	F106 I107 F112 L113 F114 A149	F106-V110 HydrophobicContact CD1-CG2 4.33Å; F106-V110 HydrophobicContact CE1-CG2 3.86Å; F106-V110 HydrophobicContact CE2-CG2 4.16Å; F106-V110 HydrophobicContact CZ-CG2 3.78Å; F106-V110 WeakPolarHBondContact O-CB 3.43Å; F106-V110 VanDerWaalsContact O-CG2 3.32Å; F106-V110 WeakPolarHBondContact O-CG2 3.39Å; F106-V110 PolarHBondContact O-N 2.88Å; I107-V110 PolarHBondContact O-N 3.21Å; V110-F112 PolarHBondContact O-N 2.54Å; V110-L113 PolarHBondContact O-N 2.83Å; V110-F114 HydrophobicContact CB-CD2 4.4Å; V110-F114 HydrophobicContact CG1-CD2 3.73Å; V110-F114 HydrophobicContact CG1-CE2 4.21Å; V110-F114 WeakPolarHBondContact O-CB 3.16Å; V110-F114 VanDerWaalsContact O-CD2 3.26Å; V110-F114 WeakPolarHBondContact O-CD2 3.36Å; V110-F114 PolarHBondContact O-N 3.38Å; V110-A149 HydrophobicContact CB-CB 4.38Å; V110-A149 HydrophobicContact CG1-CB 3.39Å; V110-A149 HydrophobicContact CG2-CB 4.29Å
111	T	78.7	Confident	79.2	Confident	46 Å²	46	53.7 Å²	53.7	28%	0.282	27%	0.27	S	S	.	.	H	α-helix	trans	-57.8	-40.6	177.6	-58.3	0	0	0	0	110.7	I107 V108 L115 S116	I107-T111 PolarHBondContact O-N 2.99Å; I107-T111 PolarHBondContact O-OG1 3.47Å; V108-T111 PolarHBondContact O-N 3.12Å; T111-L115 HydrophobicContact CG2-CB 4.16Å; T111-L115 HydrophobicContact CG2-CD2 3.89Å; T111-L115 WeakPolarHBondContact O-CA 3.34Å; T111-L115 WeakPolarHBondContact O-CB 3.09Å; T111-L115 PolarHBondContact O-N 3.46Å; T111-S116 PolarHBondContact O-N 3.21Å
112	F	79.5	Confident	79.1	Confident	38 Å²	38	54.5 Å²	54.5	17%	0.167	27%	0.273	C	S	.	.	I	π-helix	trans	-62	-53.5	175.2	178.7	-119.4	0	0	0	113	I69 V108 L109 V110 F114 S116 M117 I120	I69-F112 HydrophobicContact CD1-CB 3.37Å; I69-F112 HydrophobicContact CD1-CD1 4.04Å; I69-F112 HydrophobicContact CD1-CD2 2.91Å; I69-F112 HydrophobicContact CD1-CE1 4.5Å; I69-F112 HydrophobicContact CD1-CE2 3.5Å; I69-F112 HydrophobicContact CD1-CG 3.17Å; I69-F112 HydrophobicContact CD1-CZ 4.23Å; I69-F112 HydrophobicContact CG1-CB 4.06Å; I69-F112 HydrophobicContact CG1-CD2 4.3Å; I69-F112 HydrophobicContact CG1-CG 4.25Å; V108-F112 WeakPolarHBondContact O-CB 3.5Å; V108-F112 PolarHBondContact O-N 2.81Å; L109-F112 WeakPolarHBondContact O-CB 3.44Å; L109-F112 PolarHBondContact O-N 3Å; V110-F112 PolarHBondContact O-N 2.54Å; F112-F114 VanDerWaalsContact C-N 3.26Å; F112-F114 PolarHBondContact O-N 3.11Å; F112-S116 PolarHBondContact O-N 3.48Å; F112-S116 VanDerWaalsContact O-N 3.15Å; F112-M117 HydrophobicContact CD1-CG 4.13Å; F112-M117 HydrophobicContact CD2-CG 4.42Å; F112-M117 HydrophobicContact CE1-CE 3.52Å; F112-M117 HydrophobicContact CE1-CG 3.79Å; F112-M117 HydrophobicContact CE2-CE 4.03Å; F112-M117 HydrophobicContact CE2-CG 4.14Å; F112-M117 HydrophobicContact CG-CG 4.49Å; F112-M117 HydrophobicContact CZ-CE 3.15Å; F112-M117 HydrophobicContact CZ-CG 3.86Å; F112-M117 HydrophobicContact CZ-SD 4.29Å; F112-M117 WeakPolarHBondContact O-CB 3.39Å; F112-M117 PolarHBondContact O-N 3.43Å; F112-I120 HydrophobicContact CE2-CD1 4.18Å
113	L	78.8	Confident	79.1	Confident	89 Å²	89	49 Å²	49	47%	0.466	25%	0.251	S	S	.	.	I	π-helix	trans	-63.2	-34.7	-174.3	-71.1	172.5	0	0	0	112.1	L109 V110	L109-L113 HydrophobicContact CD1-CD1 4.37Å; L109-L113 HydrophobicContact CG-CD1 4.1Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.38Å; L109-L113 PolarHBondContact O-N 3.41Å; V110-L113 PolarHBondContact O-N 2.83Å
114	F	78.9	Confident	79.2	Confident	40 Å²	40	45.4 Å²	45.4	18%	0.175	24%	0.235	C	C	.	.	I	π-helix	trans	-107.9	-12.4	-172.6	-61.5	-64.6	0	0	0	114.9	V110 F112 M141 Q142 G145	V110-F114 HydrophobicContact CB-CD2 4.4Å; V110-F114 HydrophobicContact CG1-CD2 3.73Å; V110-F114 HydrophobicContact CG1-CE2 4.21Å; V110-F114 WeakPolarHBondContact O-CB 3.16Å; V110-F114 VanDerWaalsContact O-CD2 3.26Å; V110-F114 WeakPolarHBondContact O-CD2 3.36Å; V110-F114 PolarHBondContact O-N 3.38Å; F112-F114 VanDerWaalsContact C-N 3.26Å; F112-F114 PolarHBondContact O-N 3.11Å; F114-M141 HydrophobicContact CD1-CB 4.37Å; F114-M141 WeakPolarHBondContact CD1-O 3.43Å; F114-Q142 VanDerWaalsContact O-CA 3.22Å; F114-Q142 WeakPolarHBondContact O-CA 3.29Å; F114-Q142 VanDerWaalsContact O-CB 3.25Å; F114-Q142 WeakPolarHBondContact O-CB 3.27Å; F114-Q142 VanDerWaalsContact O-CG 3.28Å; F114-Q142 WeakPolarHBondContact O-CG 3.38Å; F114-G145 VanDerWaalsContact CD1-CA 3.4Å; F114-G145 VanDerWaalsContact CD2-CA 3.45Å
115	L	74.9	Confident	79.1	Confident	48 Å²	48	43.7 Å²	43.7	25%	0.251	23%	0.225	S	C	.	.	I	π-helix	trans	-120.4	-55	177.2	-175	66.4	0	0	0	111.5	T111 N119 Q142 F146	T111-L115 HydrophobicContact CG2-CB 4.16Å; T111-L115 HydrophobicContact CG2-CD2 3.89Å; T111-L115 WeakPolarHBondContact O-CA 3.34Å; T111-L115 WeakPolarHBondContact O-CB 3.09Å; T111-L115 PolarHBondContact O-N 3.46Å; L115-N119 PolarHBondContact O-N 3.43Å; L115-N119 PolarHBondContact O-ND2 3.07Å; L115-N119 VanDerWaalsContact O-ND2 3.1Å; L115-Q142 HydrophobicContact CD1-CG 4.42Å; L115-F146 HydrophobicContact CB-CZ 4.1Å; L115-F146 HydrophobicContact CD1-CZ 4.47Å; L115-F146 HydrophobicContact CD2-CZ 4.39Å
116	S	78.5	Confident	78.9	Confident	7 Å²	7	45.2 Å²	45.2	5%	0.049	23%	0.233	C	C	.	.	I	π-helix	trans	-75	-39.8	-174	-54.2	0	0	0	0	113.5	T111 F112 N119 I120	T111-S116 PolarHBondContact O-N 3.21Å; F112-S116 PolarHBondContact O-N 3.48Å; F112-S116 VanDerWaalsContact O-N 3.15Å; S116-N119 PolarHBondContact O-N 2.98Å; S116-I120 VanDerWaalsContact O-CG1 3.26Å; S116-I120 WeakPolarHBondContact O-CG1 3.29Å; S116-I120 PolarHBondContact O-N 3.28Å
117	M	80.9	Confident	78.8	Confident	72 Å²	72	47.3 Å²	47.3	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-48.2	178.6	-91.7	-75.2	164.6	0	0	112.5	F112 N119 I120 I121	F112-M117 HydrophobicContact CD1-CG 4.13Å; F112-M117 HydrophobicContact CD2-CG 4.42Å; F112-M117 HydrophobicContact CE1-CE 3.52Å; F112-M117 HydrophobicContact CE1-CG 3.79Å; F112-M117 HydrophobicContact CE2-CE 4.03Å; F112-M117 HydrophobicContact CE2-CG 4.14Å; F112-M117 HydrophobicContact CG-CG 4.49Å; F112-M117 HydrophobicContact CZ-CE 3.15Å; F112-M117 HydrophobicContact CZ-CG 3.86Å; F112-M117 HydrophobicContact CZ-SD 4.29Å; F112-M117 WeakPolarHBondContact O-CB 3.39Å; F112-M117 PolarHBondContact O-N 3.43Å; M117-N119 VanDerWaalsContact C-N 3.3Å; M117-N119 PolarHBondContact O-N 3.22Å; M117-I120 PolarHBondContact O-N 3.49Å; M117-I121 WeakPolarHBondContact O-CG1 3.48Å; M117-I121 PolarHBondContact O-N 3.25Å
118	P	80.7	Confident	78.5	Confident	10 Å²	10	52 Å²	52	7%	0.065	27%	0.266	C	S	.	.	H	α-helix	trans	-50.5	-47.6	168.5	-31.8	37.8	0	0	0	113.9	I120 I121 E122 V138	P118-I120 VanDerWaalsContact C-N 3.34Å; P118-I120 PolarHBondContact O-N 2.92Å; P118-I121 PolarHBondContact O-N 3.36Å; P118-E122 PolarHBondContact O-N 2.83Å; P118-V138 HydrophobicContact CB-CG1 3.57Å; P118-V138 HydrophobicContact CG-CG1 3.58Å
119	N	79.7	Confident	78	Confident	34 Å²	34	57.6 Å²	57.6	18%	0.182	29%	0.291	C	S	.	.	H	α-helix	trans	-66.2	-35.2	-179.7	-67.2	-19.7	0	0	0	112.7	V61 S62 L115 S116 M117 E122 M123	V61-N119 WeakPolarHBondContact CG1-ND2 3.3Å; S62-N119 PolarHBondContact OG-O 3.16Å; L115-N119 PolarHBondContact O-N 3.43Å; L115-N119 PolarHBondContact O-ND2 3.07Å; L115-N119 VanDerWaalsContact O-ND2 3.1Å; S116-N119 PolarHBondContact O-N 2.98Å; M117-N119 VanDerWaalsContact C-N 3.3Å; M117-N119 PolarHBondContact O-N 3.22Å; N119-E122 PolarHBondContact O-N 3.03Å; N119-M123 WeakPolarHBondContact O-CB 3.26Å; N119-M123 PolarHBondContact O-N 2.91Å
120	I	80.5	Confident	77.5	Confident	37 Å²	37	55.8 Å²	55.8	19%	0.19	28%	0.284	C	S	.	.	H	α-helix	trans	-66	-42.2	173.5	-68.9	162.1	0	0	0	110.3	S62 F112 S116 M117 P118 M123 L124	S62-I120 PolarHBondContact OG-N 3.5Å; F112-I120 HydrophobicContact CE2-CD1 4.18Å; S116-I120 VanDerWaalsContact O-CG1 3.26Å; S116-I120 WeakPolarHBondContact O-CG1 3.29Å; S116-I120 PolarHBondContact O-N 3.28Å; M117-I120 PolarHBondContact O-N 3.49Å; P118-I120 VanDerWaalsContact C-N 3.34Å; P118-I120 PolarHBondContact O-N 2.92Å; I120-M123 WeakPolarHBondContact O-CB 3.35Å; I120-M123 PolarHBondContact O-N 3.48Å; I120-L124 HydrophobicContact CG2-CD1 4.09Å; I120-L124 HydrophobicContact CG2-CG 4.44Å; I120-L124 VanDerWaalsContact O-CG 3.26Å; I120-L124 WeakPolarHBondContact O-CG 3.06Å; I120-L124 PolarHBondContact O-N 3.01Å
121	I	80.8	Confident	77.1	Confident	36 Å²	36	61.4 Å²	61.4	19%	0.185	31%	0.313	C	S	.	.	H	α-helix	trans	-64	-43.3	177.6	-69.8	167.5	0	0	0	110.4	M117 P118 L124 S125 L134 V138	M117-I121 WeakPolarHBondContact O-CG1 3.48Å; M117-I121 PolarHBondContact O-N 3.25Å; P118-I121 PolarHBondContact O-N 3.36Å; I121-L124 PolarHBondContact O-N 2.84Å; I121-S125 WeakPolarHBondContact O-CB 3.02Å; I121-S125 PolarHBondContact O-N 3.43Å; I121-L134 HydrophobicContact CD1-CD2 4.47Å; I121-L134 HydrophobicContact CG2-CD2 3.91Å; I121-V138 HydrophobicContact CD1-CG1 4.15Å; I121-V138 HydrophobicContact CD1-CG2 4.09Å
122	E	76.8	Confident	76.7	Confident	56 Å²	56	63.7 Å²	63.7	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-60.6	-44.5	174.4	-171.9	61.5	-142.7	0	0	111.4	M46 P118 N119 L124 S125 I126 S135	M46-E122 HydrophobicContact CE-CG 3.89Å; P118-E122 PolarHBondContact O-N 2.83Å; N119-E122 PolarHBondContact O-N 3.03Å; E122-L124 VanDerWaalsContact C-N 3.32Å; E122-L124 PolarHBondContact O-N 3.37Å; E122-S125 WeakPolarHBondContact O-CB 3.46Å; E122-S125 PolarHBondContact O-N 3.13Å; E122-I126 HydrophobicContact CG-CD1 4.43Å; E122-I126 WeakPolarHBondContact O-CG1 3.49Å; E122-I126 PolarHBondContact O-N 3.35Å; E122-S135 WeakPolarHBondContact OE2-CB 3.33Å; E122-S135 PolarHBondContact OE2-OG 2.77Å
123	M	77.4	Confident	76.2	Confident	42 Å²	42	65.4 Å²	65.4	21%	0.207	34%	0.343	C	S	.	.	H	α-helix	trans	-57.6	-43.9	174.1	-170.2	-167.6	72.4	0	0	111.9	V58 N119 I120 S125 I126 L127	V58-M123 HydrophobicContact CG1-CB 3.76Å; V58-M123 HydrophobicContact CG1-CG 4.36Å; N119-M123 WeakPolarHBondContact O-CB 3.26Å; N119-M123 PolarHBondContact O-N 2.91Å; I120-M123 WeakPolarHBondContact O-CB 3.35Å; I120-M123 PolarHBondContact O-N 3.48Å; M123-S125 VanDerWaalsContact C-N 3.34Å; M123-I126 PolarHBondContact O-N 3.45Å; M123-L127 WeakPolarHBondContact O-CG 3.22Å; M123-L127 PolarHBondContact O-N 2.91Å; M123-L127 VanDerWaalsContact O-N 3.11Å
124	L	80.2	Confident	75.7	Confident	45 Å²	45	65.4 Å²	65.4	24%	0.236	34%	0.343	C	S	.	.	H	α-helix	trans	-70	-31.8	178.4	-68.3	172.1	0	0	0	112.4	I120 I121 E122 L127 E128 Q129 V130	I120-L124 HydrophobicContact CG2-CD1 4.09Å; I120-L124 HydrophobicContact CG2-CG 4.44Å; I120-L124 VanDerWaalsContact O-CG 3.26Å; I120-L124 WeakPolarHBondContact O-CG 3.06Å; I120-L124 PolarHBondContact O-N 3.01Å; I121-L124 PolarHBondContact O-N 2.84Å; E122-L124 VanDerWaalsContact C-N 3.32Å; E122-L124 PolarHBondContact O-N 3.37Å; L124-L127 PolarHBondContact O-N 2.74Å; L124-E128 PolarHBondContact O-N 2.87Å; L124-Q129 VanDerWaalsContact CD2-OE1 3.3Å; L124-Q129 PolarHBondContact O-N 3.38Å; L124-V130 HydrophobicContact CB-CB 4.38Å; L124-V130 HydrophobicContact CB-CG2 3.7Å; L124-V130 HydrophobicContact CD1-CG2 4.34Å
125	S	77.2	Confident	75.3	Confident	16 Å²	16	64 Å²	64	11%	0.112	34%	0.338	C	S	.	.	H	α-helix	trans	-63.4	-46.4	171.7	-177.6	0	0	0	0	110.8	I121 E122 M123 L127 E128	I121-S125 WeakPolarHBondContact O-CB 3.02Å; I121-S125 PolarHBondContact O-N 3.43Å; E122-S125 WeakPolarHBondContact O-CB 3.46Å; E122-S125 PolarHBondContact O-N 3.13Å; M123-S125 VanDerWaalsContact C-N 3.34Å; S125-L127 VanDerWaalsContact C-N 3.28Å; S125-L127 PolarHBondContact O-N 2.85Å; S125-E128 WeakPolarHBondContact O-CA 3.25Å; S125-E128 PolarHBondContact O-N 3.28Å
126	I	74.9	Confident	75.1	Confident	69 Å²	69	68 Å²	68	35%	0.354	36%	0.356	S	S	.	.	H	α-helix	trans	-61.5	-35.1	175.9	-66.4	166.4	0	0	0	111.9	M46 V55 E122 M123 E128	M46-I126 HydrophobicContact CE-CD1 3.87Å; V55-I126 HydrophobicContact CG2-CG2 4.31Å; E122-I126 HydrophobicContact CG-CD1 4.43Å; E122-I126 WeakPolarHBondContact O-CG1 3.49Å; E122-I126 PolarHBondContact O-N 3.35Å; M123-I126 PolarHBondContact O-N 3.45Å; I126-E128 PolarHBondContact O-N 2.94Å
127	L	78	Confident	75	Confident	106 Å²	106	72.4 Å²	72.4	56%	0.555	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	9.8	175.1	-66.1	174.4	0	0	0	113.7	M123 L124 S125 Q129	M123-L127 WeakPolarHBondContact O-CG 3.22Å; M123-L127 PolarHBondContact O-N 2.91Å; M123-L127 VanDerWaalsContact O-N 3.11Å; L124-L127 PolarHBondContact O-N 2.74Å; S125-L127 VanDerWaalsContact C-N 3.28Å; S125-L127 PolarHBondContact O-N 2.85Å; L127-Q129 HydrophobicContact CB-CG 4.34Å; L127-Q129 PolarHBondContact O-N 2.77Å
128	E	69.8	Low	74.6	Confident	181 Å²	181	70.2 Å²	70.2	85%	0.846	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	21.8	-175.8	-63.7	-172.8	159.3	0	0	114.6	L124 S125 I126	L124-E128 PolarHBondContact O-N 2.87Å; S125-E128 WeakPolarHBondContact O-CA 3.25Å; S125-E128 PolarHBondContact O-N 3.28Å; I126-E128 PolarHBondContact O-N 2.94Å
129	Q	70.7	Confident	74.2	Confident	139 Å²	139	76.8 Å²	76.8	65%	0.65	39%	0.393	S	S	*	.	S	Bend	trans	-89.4	-16.7	-179.6	-68.6	-173.3	-10.2	0	0	113.3	L124 L127	L124-Q129 VanDerWaalsContact CD2-OE1 3.3Å; L124-Q129 PolarHBondContact O-N 3.38Å; L127-Q129 HydrophobicContact CB-CG 4.34Å; L127-Q129 PolarHBondContact O-N 2.77Å
130	V	69.9	Low	73.9	Confident	46 Å²	46	81.7 Å²	81.7	28%	0.279	41%	0.413	S	S	.	.	S	Bend	trans	-137.6	147.9	-172.2	179.9	0	0	0	0	111.3	L124 V132 L134	L124-V130 HydrophobicContact CB-CB 4.38Å; L124-V130 HydrophobicContact CB-CG2 3.7Å; L124-V130 HydrophobicContact CD1-CG2 4.34Å; V130-V132 PolarHBondContact O-N 2.85Å; V130-L134 HydrophobicContact CG1-CB 4.27Å; V130-L134 HydrophobicContact CG1-CD2 3.9Å
131	N	73.4	Confident	73.6	Confident	133 Å²	133	85.1 Å²	85.1	71%	0.711	43%	0.43	S	S	*	.			trans	-62.5	130.1	177.8	-75.1	-24.3	0	0	0	112.5	S133 L134	N131-S133 PolarHBondContact O-N 2.8Å; N131-S133 VanDerWaalsContact O-N 3.17Å; N131-L134 WeakPolarHBondContact O-CB 3.34Å; N131-L134 PolarHBondContact O-N 2.92Å
132	V	69.8	Low	73.4	Confident	94 Å²	94	85.3 Å²	85.3	57%	0.57	43%	0.43	S	S	*	.	H	α-helix	trans	-53	-37.6	178.2	-177.5	0	0	0	0	113	V130 L134 S135 E136	V130-V132 PolarHBondContact O-N 2.85Å; V132-L134 PolarHBondContact O-N 3.17Å; V132-S135 VanDerWaalsContact O-CB 3.25Å; V132-S135 WeakPolarHBondContact O-CB 3.33Å; V132-S135 PolarHBondContact O-N 3.33Å; V132-E136 PolarHBondContact O-N 3.02Å
133	S	69.1	Low	73.4	Confident	73 Å²	73	87.3 Å²	87.3	51%	0.51	44%	0.439	S	S	.	.	H	α-helix	trans	-63.4	-26.4	179.3	-178.4	0	0	0	0	113.6	N131 N137	N131-S133 PolarHBondContact O-N 2.8Å; N131-S133 VanDerWaalsContact O-N 3.17Å; S133-N137 PolarHBondContact O-ND2 3.4Å
134	L	68.4	Low	73.5	Confident	90 Å²	90	89.1 Å²	89.1	47%	0.471	45%	0.452	S	S	.	.	H	α-helix	trans	-68.6	-40	174.7	-159.2	90.7	0	0	0	110.2	I121 V130 N131 V132 N137 V138	I121-L134 HydrophobicContact CD1-CD2 4.47Å; I121-L134 HydrophobicContact CG2-CD2 3.91Å; V130-L134 HydrophobicContact CG1-CB 4.27Å; V130-L134 HydrophobicContact CG1-CD2 3.9Å; N131-L134 WeakPolarHBondContact O-CB 3.34Å; N131-L134 PolarHBondContact O-N 2.92Å; V132-L134 PolarHBondContact O-N 3.17Å; L134-N137 PolarHBondContact O-N 2.83Å; L134-V138 HydrophobicContact CG-CG2 4.42Å; L134-V138 WeakPolarHBondContact O-CG2 3.44Å; L134-V138 PolarHBondContact O-N 2.63Å
135	S	70.2	Confident	73.4	Confident	10 Å²	10	87 Å²	87	7%	0.07	44%	0.441	C	S	.	.	H	α-helix	trans	-57.9	-50.9	179.6	-117.6	0	0	0	0	112.4	E122 V132 N137 V138 W139	E122-S135 WeakPolarHBondContact OE2-CB 3.33Å; E122-S135 PolarHBondContact OE2-OG 2.77Å; V132-S135 VanDerWaalsContact O-CB 3.25Å; V132-S135 WeakPolarHBondContact O-CB 3.33Å; V132-S135 PolarHBondContact O-N 3.33Å; S135-N137 VanDerWaalsContact C-N 3.3Å; S135-N137 PolarHBondContact O-N 2.84Å; S135-V138 PolarHBondContact O-N 3.06Å; S135-V138 VanDerWaalsContact O-N 3.15Å; S135-W139 PolarHBondContact O-N 2.83Å
136	E	71.2	Confident	73.4	Confident	132 Å²	132	90.3 Å²	90.3	62%	0.617	45%	0.453	S	S	*	.	H	α-helix	trans	-59.2	-40.2	-177.2	-65.9	178.5	173.8	0	0	112.7	V132	V132-E136 PolarHBondContact O-N 3.02Å
137	N	74.6	Confident	73.7	Confident	99 Å²	99	90.5 Å²	90.5	53%	0.529	46%	0.461	S	S	.	.	H	α-helix	trans	-73.6	-31.5	-179.3	-73.5	-60.6	0	0	0	112.7	S133 L134 S135 W139 F140	S133-N137 PolarHBondContact O-ND2 3.4Å; L134-N137 PolarHBondContact O-N 2.83Å; S135-N137 VanDerWaalsContact C-N 3.3Å; S135-N137 PolarHBondContact O-N 2.84Å; N137-W139 VanDerWaalsContact C-N 3.29Å; N137-W139 PolarHBondContact O-N 2.85Å; N137-F140 PolarHBondContact O-N 2.88Å
138	V	73.6	Confident	73.9	Confident	26 Å²	26	90 Å²	90	16%	0.158	46%	0.458	C	S	.	.	H	α-helix	trans	-72.6	-25.7	-177.1	172.7	0	0	0	0	111.2	P118 I121 L134 S135 F140 M141	P118-V138 HydrophobicContact CB-CG1 3.57Å; P118-V138 HydrophobicContact CG-CG1 3.58Å; I121-V138 HydrophobicContact CD1-CG1 4.15Å; I121-V138 HydrophobicContact CD1-CG2 4.09Å; L134-V138 HydrophobicContact CG-CG2 4.42Å; L134-V138 WeakPolarHBondContact O-CG2 3.44Å; L134-V138 PolarHBondContact O-N 2.63Å; S135-V138 PolarHBondContact O-N 3.06Å; S135-V138 VanDerWaalsContact O-N 3.15Å; V138-F140 VanDerWaalsContact C-N 3.31Å; V138-F140 PolarHBondContact O-N 2.85Å; V138-M141 VanDerWaalsContact O-CB 3.22Å; V138-M141 WeakPolarHBondContact O-CB 3.18Å; V138-M141 PolarHBondContact O-N 2.76Å
139	W	71.3	Confident	74.3	Confident	149 Å²	149	82.1 Å²	82.1	56%	0.564	42%	0.424	S	S	*	.	H	α-helix	trans	-59.5	-38.5	175.7	-166.5	76.9	0	0	0	113.2	S135 N137 M141 Q142 H143	S135-W139 PolarHBondContact O-N 2.83Å; N137-W139 VanDerWaalsContact C-N 3.29Å; N137-W139 PolarHBondContact O-N 2.85Å; W139-M141 PolarHBondContact O-N 3.21Å; W139-Q142 WeakPolarHBondContact O-CB 3.46Å; W139-Q142 PolarHBondContact O-N 2.78Å; W139-Q142 VanDerWaalsContact O-N 3.1Å; W139-H143 AromaticContact CE2-NE2 3.96Å; W139-H143 AromaticContact CH2-NE2 3.35Å; W139-H143 VanDerWaalsContact CH2-NE2 3.35Å; W139-H143 WeakPolarHBondContact CH2-NE2 3.4Å; W139-H143 AromaticContact CZ2-NE2 3.46Å; W139-H143 WeakPolarHBondContact CZ2-NE2 3.38Å; W139-H143 AromaticContact CZ3-NE2 3.77Å
140	F	73.7	Confident	74.8	Confident	136 Å²	136	78 Å²	78	60%	0.596	41%	0.413	S	S	*	.	H	α-helix	trans	-61.7	-28.7	174.9	-75.7	-74.2	0	0	0	113.3	N137 V138 Q142 H143 V144	N137-F140 PolarHBondContact O-N 2.88Å; V138-F140 VanDerWaalsContact C-N 3.31Å; V138-F140 PolarHBondContact O-N 2.85Å; F140-Q142 PolarHBondContact O-N 2.94Å; F140-H143 PolarHBondContact O-N 3.07Å; F140-V144 WeakPolarHBondContact O-CG2 3.45Å; F140-V144 PolarHBondContact O-N 2.86Å
141	M	75.5	Confident	75.4	Confident	110 Å²	110	81.1 Å²	81.1	54%	0.542	43%	0.426	S	S	.	.	H	α-helix	trans	-62.7	-31.4	177.5	-65.4	-77.3	173.9	0	0	111.5	F114 V138 W139 G145	F114-M141 HydrophobicContact CD1-CB 4.37Å; F114-M141 WeakPolarHBondContact CD1-O 3.43Å; V138-M141 VanDerWaalsContact O-CB 3.22Å; V138-M141 WeakPolarHBondContact O-CB 3.18Å; V138-M141 PolarHBondContact O-N 2.76Å; W139-M141 PolarHBondContact O-N 3.21Å; M141-G145 PolarHBondContact O-N 3.2Å
142	Q	75	Confident	75.8	Confident	39 Å²	39	80.6 Å²	80.6	18%	0.182	42%	0.415	C	S	.	.	H	α-helix	trans	-62.8	-49.1	-178.9	-176.1	172.4	-10.1	0	0	112	F114 L115 W139 F140 G145 F146	F114-Q142 VanDerWaalsContact O-CA 3.22Å; F114-Q142 WeakPolarHBondContact O-CA 3.29Å; F114-Q142 VanDerWaalsContact O-CB 3.25Å; F114-Q142 WeakPolarHBondContact O-CB 3.27Å; F114-Q142 VanDerWaalsContact O-CG 3.28Å; F114-Q142 WeakPolarHBondContact O-CG 3.38Å; L115-Q142 HydrophobicContact CD1-CG 4.42Å; W139-Q142 WeakPolarHBondContact O-CB 3.46Å; W139-Q142 PolarHBondContact O-N 2.78Å; W139-Q142 VanDerWaalsContact O-N 3.1Å; F140-Q142 PolarHBondContact O-N 2.94Å; Q142-G145 PolarHBondContact O-N 3.16Å; Q142-F146 HydrophobicContact CG-CD2 4.19Å; Q142-F146 HydrophobicContact CG-CE2 3.74Å; Q142-F146 WeakPolarHBondContact O-CD2 3.18Å; Q142-F146 PolarHBondContact O-N 3.22Å
143	H	77.5	Confident	76.3	Confident	99 Å²	99	79.7 Å²	79.7	46%	0.458	40%	0.403	S	S	.	.	H	α-helix	trans	-67.8	-41.2	179.8	-68.1	-66.8	0	0	0	112.8	W139 F140 S147	W139-H143 AromaticContact CE2-NE2 3.96Å; W139-H143 AromaticContact CH2-NE2 3.35Å; W139-H143 VanDerWaalsContact CH2-NE2 3.35Å; W139-H143 WeakPolarHBondContact CH2-NE2 3.4Å; W139-H143 AromaticContact CZ2-NE2 3.46Å; W139-H143 WeakPolarHBondContact CZ2-NE2 3.38Å; W139-H143 AromaticContact CZ3-NE2 3.77Å; F140-H143 PolarHBondContact O-N 3.07Å; H143-S147 PolarHBondContact O-N 3.02Å; H143-S147 PolarHBondContact O-OG 3.46Å
144	V	79.7	Confident	76.8	Confident	80 Å²	80	79 Å²	79	49%	0.485	39%	0.394	S	S	.	.	H	α-helix	trans	-66.7	-42.3	178.4	174.4	0	0	0	0	110.5	F140 S147 I148	F140-V144 WeakPolarHBondContact O-CG2 3.45Å; F140-V144 PolarHBondContact O-N 2.86Å; V144-S147 WeakPolarHBondContact O-CB 3.46Å; V144-S147 PolarHBondContact O-N 2.87Å; V144-I148 HydrophobicContact CG1-CD1 3.71Å; V144-I148 HydrophobicContact CG1-CG1 4.33Å; V144-I148 WeakPolarHBondContact O-CG1 3.49Å; V144-I148 PolarHBondContact O-N 2.69Å
145	G	77.2	Confident	77.4	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-60.5	-47.9	-178.4	0	0	0	0	0	114.7	F114 M141 Q142 S147 I148 A149	F114-G145 VanDerWaalsContact CD1-CA 3.4Å; F114-G145 VanDerWaalsContact CD2-CA 3.45Å; M141-G145 PolarHBondContact O-N 3.2Å; Q142-G145 PolarHBondContact O-N 3.16Å; G145-S147 VanDerWaalsContact C-N 3.3Å; G145-S147 PolarHBondContact O-N 3.17Å; G145-I148 PolarHBondContact O-N 3.01Å; G145-A149 WeakPolarHBondContact O-CB 3.49Å; G145-A149 PolarHBondContact O-N 3.25Å
146	F	77.4	Confident	77.6	Confident	85 Å²	85	79.4 Å²	79.4	37%	0.373	40%	0.404	S	S	.	.	H	α-helix	trans	-63.9	-37.8	176.3	-72	-57.3	0	0	0	112.4	L115 Q142 A149 A150	L115-F146 HydrophobicContact CB-CZ 4.1Å; L115-F146 HydrophobicContact CD1-CZ 4.47Å; L115-F146 HydrophobicContact CD2-CZ 4.39Å; Q142-F146 HydrophobicContact CG-CD2 4.19Å; Q142-F146 HydrophobicContact CG-CE2 3.74Å; Q142-F146 WeakPolarHBondContact O-CD2 3.18Å; Q142-F146 PolarHBondContact O-N 3.22Å; F146-A149 PolarHBondContact O-N 2.94Å; F146-A150 WeakPolarHBondContact O-CB 3.32Å; F146-A150 PolarHBondContact O-N 3.08Å
147	S	82.7	Confident	78	Confident	74 Å²	74	76.7 Å²	76.7	52%	0.517	39%	0.393	S	S	.	.	H	α-helix	trans	-62.4	-44.3	175.4	-56.5	0	0	0	0	111.1	H143 V144 G145 M151	H143-S147 PolarHBondContact O-N 3.02Å; H143-S147 PolarHBondContact O-OG 3.46Å; V144-S147 WeakPolarHBondContact O-CB 3.46Å; V144-S147 PolarHBondContact O-N 2.87Å; G145-S147 VanDerWaalsContact C-N 3.3Å; G145-S147 PolarHBondContact O-N 3.17Å; S147-M151 WeakPolarHBondContact O-CB 2.86Å; S147-M151 WeakPolarHBondContact O-CG 3.33Å; S147-M151 PolarHBondContact O-N 2.84Å
148	I	80.7	Confident	78.1	Confident	96 Å²	96	75.5 Å²	75.5	49%	0.492	39%	0.386	S	S	.	.	H	α-helix	trans	-63	-43.5	176.2	-69.5	169.8	0	0	0	111.2	V144 G145 M151 Y152	V144-I148 HydrophobicContact CG1-CD1 3.71Å; V144-I148 HydrophobicContact CG1-CG1 4.33Å; V144-I148 WeakPolarHBondContact O-CG1 3.49Å; V144-I148 PolarHBondContact O-N 2.69Å; G145-I148 PolarHBondContact O-N 3.01Å; I148-M151 PolarHBondContact O-N 2.8Å; I148-Y152 WeakPolarHBondContact O-CB 3.22Å; I148-Y152 PolarHBondContact O-N 3.08Å
149	A	78.9	Confident	78.3	Confident	15 Å²	15	77.9 Å²	77.9	12%	0.124	40%	0.404	C	S	.	.	H	α-helix	trans	-66.3	-42.1	-179.2	0	0	0	0	0	112.8	V110 G145 F146 Y152 K153	V110-A149 HydrophobicContact CB-CB 4.38Å; V110-A149 HydrophobicContact CG1-CB 3.39Å; V110-A149 HydrophobicContact CG2-CB 4.29Å; G145-A149 WeakPolarHBondContact O-CB 3.49Å; G145-A149 PolarHBondContact O-N 3.25Å; F146-A149 PolarHBondContact O-N 2.94Å; A149-Y152 PolarHBondContact O-N 3.07Å; A149-K153 PolarHBondContact O-N 3.42Å
150	A	81.5	Confident	78.5	Confident	51 Å²	51	74 Å²	74	42%	0.421	39%	0.394	S	S	.	.	H	α-helix	trans	-60.6	-47.3	172.8	0	0	0	0	0	110.4	F146 Y152 K153 I154	F146-A150 WeakPolarHBondContact O-CB 3.32Å; F146-A150 PolarHBondContact O-N 3.08Å; A150-Y152 PolarHBondContact O-N 3.39Å; A150-K153 PolarHBondContact O-N 3.35Å; A150-I154 WeakPolarHBondContact O-CB 3.49Å; A150-I154 WeakPolarHBondContact O-CG1 3.38Å; A150-I154 PolarHBondContact O-N 3.17Å
151	M	82.2	Confident	78.6	Confident	112 Å²	112	71.5 Å²	71.5	55%	0.552	38%	0.381	S	S	*	.	H	α-helix	trans	-60	-43.8	176.3	-73.9	-61.9	-64.8	0	0	112.4	S147 I148 K153 I154 V155	S147-M151 WeakPolarHBondContact O-CB 2.86Å; S147-M151 WeakPolarHBondContact O-CG 3.33Å; S147-M151 PolarHBondContact O-N 2.84Å; I148-M151 PolarHBondContact O-N 2.8Å; M151-K153 PolarHBondContact O-N 2.73Å; M151-I154 PolarHBondContact O-N 3.48Å; M151-V155 WeakPolarHBondContact O-CB 3.34Å; M151-V155 VanDerWaalsContact O-CG2 3.28Å; M151-V155 WeakPolarHBondContact O-CG2 3.48Å; M151-V155 PolarHBondContact O-N 2.82Å
152	Y	82.1	Confident	78.7	Confident	122 Å²	122	71.3 Å²	71.3	48%	0.478	38%	0.378	S	S	.	.	H	α-helix	trans	-59	-47.3	175.8	172.3	-95.5	0	0	0	111.5	F106 I148 A149 A150 I154 V155 A156	F106-Y152 HydrophobicContact CD1-CD1 4.02Å; F106-Y152 AromaticContact CD1-CE1 3.9Å; F106-Y152 HydrophobicContact CD1-CE1 3.9Å; F106-Y152 HydrophobicContact CD2-CE1 4.44Å; F106-Y152 AromaticContact CE1-CD1 3.21Å; F106-Y152 HydrophobicContact CE1-CD1 3.21Å; F106-Y152 AromaticContact CE1-CE1 3.52Å; F106-Y152 HydrophobicContact CE1-CE1 3.52Å; F106-Y152 HydrophobicContact CE1-CG 4.03Å; F106-Y152 HydrophobicContact CE2-CD1 4.22Å; F106-Y152 HydrophobicContact CE2-CE1 4.09Å; F106-Y152 HydrophobicContact CG-CE1 4.34Å; F106-Y152 AromaticContact CZ-CD1 3.33Å; F106-Y152 HydrophobicContact CZ-CD1 3.33Å; F106-Y152 HydrophobicContact CZ-CD2 4.36Å; F106-Y152 AromaticContact CZ-CE1 3.62Å; F106-Y152 HydrophobicContact CZ-CE1 3.62Å; F106-Y152 AromaticContact CZ-CG 3.73Å; F106-Y152 HydrophobicContact CZ-CG 3.73Å; I148-Y152 WeakPolarHBondContact O-CB 3.22Å; I148-Y152 PolarHBondContact O-N 3.08Å; A149-Y152 PolarHBondContact O-N 3.07Å; A150-Y152 PolarHBondContact O-N 3.39Å; Y152-I154 VanDerWaalsContact C-N 3.33Å; Y152-I154 PolarHBondContact O-N 2.9Å; Y152-V155 PolarHBondContact O-N 3.04Å; Y152-A156 HydrophobicContact CE1-CB 4.44Å; Y152-A156 WeakPolarHBondContact O-CB 3.28Å; Y152-A156 PolarHBondContact O-N 2.88Å
153	K	79.2	Confident	78.8	Confident	76 Å²	76	71.2 Å²	71.2	33%	0.33	39%	0.385	S	S	.	.	H	α-helix	trans	-62.3	-41.5	177.6	-77	-71.6	-174.5	176.4	0	111.9	A149 A150 M151 V155 A156 D157	A149-K153 PolarHBondContact O-N 3.42Å; A150-K153 PolarHBondContact O-N 3.35Å; M151-K153 PolarHBondContact O-N 2.73Å; K153-V155 VanDerWaalsContact C-N 3.32Å; K153-V155 PolarHBondContact O-N 3.4Å; K153-A156 PolarHBondContact O-N 3.09Å; K153-D157 PolarHBondContact O-N 3.41Å; K153-D157 VanDerWaalsContact O-N 3.09Å
154	I	80.9	Confident	78.9	Confident	59 Å²	59	70 Å²	70	30%	0.303	38%	0.381	S	S	.	.	H	α-helix	trans	-62.6	-41.2	178.3	-70.7	166.4	0	0	0	111.4	A150 M151 Y152 L160 I164	A150-I154 WeakPolarHBondContact O-CB 3.49Å; A150-I154 WeakPolarHBondContact O-CG1 3.38Å; A150-I154 PolarHBondContact O-N 3.17Å; M151-I154 PolarHBondContact O-N 3.48Å; Y152-I154 VanDerWaalsContact C-N 3.33Å; Y152-I154 PolarHBondContact O-N 2.9Å; I154-L160 HydrophobicContact CB-CD2 3.96Å; I154-L160 HydrophobicContact CG1-CD2 3.79Å; I154-L160 HydrophobicContact CG2-CD2 3.72Å; I154-L160 HydrophobicContact CG2-CG 4.36Å; I154-I164 HydrophobicContact CG2-CD1 3.54Å
155	V	79.9	Confident	78.9	Confident	62 Å²	62	73.2 Å²	73.2	38%	0.376	38%	0.384	S	S	.	.	H	α-helix	trans	-74.5	-40.7	179.7	172.5	0	0	0	0	111.5	M151 Y152 K153 D157 R161 V193	M151-V155 WeakPolarHBondContact O-CB 3.34Å; M151-V155 VanDerWaalsContact O-CG2 3.28Å; M151-V155 WeakPolarHBondContact O-CG2 3.48Å; M151-V155 PolarHBondContact O-N 2.82Å; Y152-V155 PolarHBondContact O-N 3.04Å; K153-V155 VanDerWaalsContact C-N 3.32Å; K153-V155 PolarHBondContact O-N 3.4Å; V155-D157 VanDerWaalsContact C-N 3.31Å; V155-D157 PolarHBondContact O-N 2.89Å; V155-R161 PolarHBondContact O-NE 3.29Å; V155-R161 PolarHBondContact O-NH2 3.31Å; V155-V193 HydrophobicContact CG1-CG2 3.96Å
156	A	75.5	Confident	78.8	Confident	46 Å²	46	80.8 Å²	80.8	38%	0.38	41%	0.412	S	S	.	.	H	α-helix	trans	-63.3	-36.9	-179.8	0	0	0	0	0	111.8	Y152 K153 I158 R161	Y152-A156 HydrophobicContact CE1-CB 4.44Å; Y152-A156 WeakPolarHBondContact O-CB 3.28Å; Y152-A156 PolarHBondContact O-N 2.88Å; K153-A156 PolarHBondContact O-N 3.09Å; A156-I158 PolarHBondContact O-N 2.85Å; A156-R161 PolarHBondContact O-NH2 3.43Å
157	D	78.1	Confident	78.9	Confident	74 Å²	74	79.1 Å²	79.1	40%	0.396	42%	0.415	S	S	.	.			trans	-69.9	116.7	179.5	-167.8	-55.8	0	0	0	112.2	K153 V155 S159 L160 R161	K153-D157 PolarHBondContact O-N 3.41Å; K153-D157 VanDerWaalsContact O-N 3.09Å; V155-D157 VanDerWaalsContact C-N 3.31Å; V155-D157 PolarHBondContact O-N 2.89Å; D157-S159 WeakPolarHBondContact OD1-CA 3.07Å; D157-S159 WeakPolarHBondContact OD1-CB 3.44Å; D157-S159 PolarHBondContact OD1-N 3.13Å; D157-S159 PolarHBondContact OD1-OG 2.9Å; D157-L160 HydrophobicContact CB-CB 3.97Å; D157-L160 PolarHBondContact OD1-N 2.87Å; D157-R161 WeakPolarHBondContact O-CB 3.23Å; D157-R161 PolarHBondContact O-N 3.5Å
158	I	76.8	Confident	78.8	Confident	74 Å²	74	79.7 Å²	79.7	38%	0.379	42%	0.415	S	S	.	.	H	α-helix	trans	-65.9	-40.8	-179.4	-67.7	166.7	0	0	0	111.3	A156 R161 Q162	A156-I158 PolarHBondContact O-N 2.85Å; I158-R161 WeakPolarHBondContact O-CB 3.4Å; I158-R161 PolarHBondContact O-N 2.99Å; I158-Q162 WeakPolarHBondContact O-CG 3.38Å; I158-Q162 PolarHBondContact O-N 3.03Å
159	S	78.3	Confident	78.5	Confident	76 Å²	76	81.9 Å²	81.9	53%	0.531	42%	0.421	S	S	.	.	H	α-helix	trans	-67.1	-43.4	-177	75.3	0	0	0	0	111	D157 Q162 A163	D157-S159 WeakPolarHBondContact OD1-CA 3.07Å; D157-S159 WeakPolarHBondContact OD1-CB 3.44Å; D157-S159 PolarHBondContact OD1-N 3.13Å; D157-S159 PolarHBondContact OD1-OG 2.9Å; S159-Q162 PolarHBondContact O-N 3.31Å; S159-A163 WeakPolarHBondContact O-CB 3.4Å; S159-A163 PolarHBondContact O-N 2.82Å
160	L	74.7	Confident	78.3	Confident	68 Å²	68	86 Å²	86	36%	0.356	44%	0.44	S	S	.	.	H	α-helix	trans	-69.5	-39	176.6	-170.2	62.1	0	0	0	111	I154 D157 Q162 A163 I164	I154-L160 HydrophobicContact CB-CD2 3.96Å; I154-L160 HydrophobicContact CG1-CD2 3.79Å; I154-L160 HydrophobicContact CG2-CD2 3.72Å; I154-L160 HydrophobicContact CG2-CG 4.36Å; D157-L160 HydrophobicContact CB-CB 3.97Å; D157-L160 PolarHBondContact OD1-N 2.87Å; L160-Q162 VanDerWaalsContact C-N 3.28Å; L160-Q162 PolarHBondContact O-N 2.84Å; L160-A163 PolarHBondContact O-N 3.46Å; L160-A163 VanDerWaalsContact O-N 3.16Å; L160-I164 HydrophobicContact CD1-CD1 4.42Å; L160-I164 HydrophobicContact CD1-CG1 4.42Å; L160-I164 HydrophobicContact CD2-CD1 4.46Å; L160-I164 HydrophobicContact CG-CD1 3.9Å; L160-I164 HydrophobicContact CG-CG1 4.32Å; L160-I164 WeakPolarHBondContact O-CB 3.39Å; L160-I164 VanDerWaalsContact O-CG1 3.29Å; L160-I164 WeakPolarHBondContact O-CG1 3.17Å; L160-I164 PolarHBondContact O-N 2.88Å
161	R	76	Confident	78	Confident	84 Å²	84	87.5 Å²	87.5	32%	0.317	45%	0.445	S	S	.	.	H	α-helix	trans	-58.7	-40.7	173.1	-166.9	-171.7	-41.3	171.1	14.5	111.8	V155 A156 D157 I158 R165	V155-R161 PolarHBondContact O-NE 3.29Å; V155-R161 PolarHBondContact O-NH2 3.31Å; A156-R161 PolarHBondContact O-NH2 3.43Å; D157-R161 WeakPolarHBondContact O-CB 3.23Å; D157-R161 PolarHBondContact O-N 3.5Å; I158-R161 WeakPolarHBondContact O-CB 3.4Å; I158-R161 PolarHBondContact O-N 2.99Å; R161-R165 VanDerWaalsContact O-CB 3.31Å; R161-R165 WeakPolarHBondContact O-CB 3.42Å; R161-R165 WeakPolarHBondContact O-CG 3.25Å; R161-R165 PolarHBondContact O-N 3.01Å
162	Q	77.3	Confident	77.1	Confident	105 Å²	105	86.9 Å²	86.9	49%	0.491	44%	0.442	S	S	.	.	H	α-helix	trans	-70.1	-39.1	174.7	-72.2	177.9	4.8	0	0	112.3	I158 S159 L160 R165 R166	I158-Q162 WeakPolarHBondContact O-CG 3.38Å; I158-Q162 PolarHBondContact O-N 3.03Å; S159-Q162 PolarHBondContact O-N 3.31Å; L160-Q162 VanDerWaalsContact C-N 3.28Å; L160-Q162 PolarHBondContact O-N 2.84Å; Q162-R165 PolarHBondContact O-N 3.4Å; Q162-R166 WeakPolarHBondContact O-CG 3.31Å; Q162-R166 PolarHBondContact O-N 3.45Å
163	A	78.3	Confident	76.2	Confident	38 Å²	38	89.3 Å²	89.3	31%	0.314	46%	0.455	S	S	.	.	H	α-helix	trans	-63.8	-46.6	175.5	0	0	0	0	0	111.9	S159 L160 R165 R166 A167	S159-A163 WeakPolarHBondContact O-CB 3.4Å; S159-A163 PolarHBondContact O-N 2.82Å; L160-A163 PolarHBondContact O-N 3.46Å; L160-A163 VanDerWaalsContact O-N 3.16Å; A163-R165 PolarHBondContact O-N 3.32Å; A163-R166 WeakPolarHBondContact O-CB 3.47Å; A163-R166 PolarHBondContact O-N 3.01Å; A163-A167 PolarHBondContact O-N 2.99Å
164	I	79.4	Confident	75.5	Confident	74 Å²	74	92.3 Å²	92.3	38%	0.379	47%	0.474	S	S	.	.	H	α-helix	trans	-61.7	-44.6	174.7	-67.7	169.6	0	0	0	110	I154 L160 R166 A167 V168	I154-I164 HydrophobicContact CG2-CD1 3.54Å; L160-I164 HydrophobicContact CD1-CD1 4.42Å; L160-I164 HydrophobicContact CD1-CG1 4.42Å; L160-I164 HydrophobicContact CD2-CD1 4.46Å; L160-I164 HydrophobicContact CG-CD1 3.9Å; L160-I164 HydrophobicContact CG-CG1 4.32Å; L160-I164 WeakPolarHBondContact O-CB 3.39Å; L160-I164 VanDerWaalsContact O-CG1 3.29Å; L160-I164 WeakPolarHBondContact O-CG1 3.17Å; L160-I164 PolarHBondContact O-N 2.88Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 3.24Å; I164-A167 PolarHBondContact O-N 3.03Å; I164-V168 HydrophobicContact CG2-CG2 4.06Å; I164-V168 WeakPolarHBondContact O-CB 3.41Å; I164-V168 VanDerWaalsContact O-CG2 3.23Å; I164-V168 WeakPolarHBondContact O-CG2 3.37Å; I164-V168 PolarHBondContact O-N 2.96Å
165	R	79.2	Confident	74.5	Confident	147 Å²	147	92.7 Å²	92.7	56%	0.555	48%	0.475	S	S	*	.	H	α-helix	trans	-59.3	-38	175.5	-80.3	174.6	-178.2	177.5	0.6	112.5	R161 Q162 A163 K169	R161-R165 VanDerWaalsContact O-CB 3.31Å; R161-R165 WeakPolarHBondContact O-CB 3.42Å; R161-R165 WeakPolarHBondContact O-CG 3.25Å; R161-R165 PolarHBondContact O-N 3.01Å; Q162-R165 PolarHBondContact O-N 3.4Å; A163-R165 PolarHBondContact O-N 3.32Å; R165-K169 WeakPolarHBondContact O-CB 3.36Å; R165-K169 VanDerWaalsContact O-CG 3.27Å; R165-K169 WeakPolarHBondContact O-CG 3.35Å; R165-K169 PolarHBondContact O-N 2.99Å; R165-K169 VanDerWaalsContact O-N 3.11Å
166	R	75.9	Confident	73.2	Confident	158 Å²	158	93.3 Å²	93.3	60%	0.596	48%	0.481	S	S	*	.	H	α-helix	trans	-66.8	-52.5	174.3	-76.5	-176.5	-74.5	165.7	-4.4	111	Q162 A163 I164 V168 K169 D170	Q162-R166 WeakPolarHBondContact O-CG 3.31Å; Q162-R166 PolarHBondContact O-N 3.45Å; A163-R166 WeakPolarHBondContact O-CB 3.47Å; A163-R166 PolarHBondContact O-N 3.01Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 3.24Å; R166-V168 VanDerWaalsContact C-N 3.32Å; R166-V168 PolarHBondContact O-N 2.62Å; R166-K169 CarbonylContact O-C 3.5Å; R166-K169 WeakPolarHBondContact O-CA 3.33Å; R166-K169 WeakPolarHBondContact O-CB 3.07Å; R166-K169 PolarHBondContact O-N 3.34Å; R166-D170 VanDerWaalsContact O-CG 3.23Å; R166-D170 PolarHBondContact O-N 2.97Å
167	A	78.5	Confident	72.2	Confident	51 Å²	51	99.5 Å²	99.5	42%	0.421	50%	0.499	S	S	.	.	H	α-helix	trans	-57.3	-43.1	178.3	0	0	0	0	0	112.6	A163 I164 K169 D170 V171	A163-A167 PolarHBondContact O-N 2.99Å; I164-A167 PolarHBondContact O-N 3.03Å; A167-K169 VanDerWaalsContact C-N 3.35Å; A167-K169 PolarHBondContact O-N 2.94Å; A167-D170 PolarHBondContact O-N 3.14Å; A167-V171 WeakPolarHBondContact O-CB 3.32Å; A167-V171 VanDerWaalsContact O-CG2 3.23Å; A167-V171 WeakPolarHBondContact O-CG2 3.27Å; A167-V171 PolarHBondContact O-N 3.11Å
168	V	80.9	Confident	71	Confident	86 Å²	86	100.6 Å²	100.6	52%	0.521	51%	0.509	S	S	.	.	H	α-helix	trans	-63.6	-40.1	175.7	171.5	0	0	0	0	111.1	I164 R166 M172	I164-V168 HydrophobicContact CG2-CG2 4.06Å; I164-V168 WeakPolarHBondContact O-CB 3.41Å; I164-V168 VanDerWaalsContact O-CG2 3.23Å; I164-V168 WeakPolarHBondContact O-CG2 3.37Å; I164-V168 PolarHBondContact O-N 2.96Å; R166-V168 VanDerWaalsContact C-N 3.32Å; R166-V168 PolarHBondContact O-N 2.62Å; V168-M172 WeakPolarHBondContact O-CB 3.13Å; V168-M172 PolarHBondContact O-N 2.97Å
169	K	75	Confident	69.8	Low	142 Å²	142	101.3 Å²	101.3	62%	0.617	51%	0.512	S	S	*	.	H	α-helix	trans	-65.4	-42	174.9	-78.6	177.9	179.2	-174	0	112	R165 R166 A167 M172 F173	R165-K169 WeakPolarHBondContact O-CB 3.36Å; R165-K169 VanDerWaalsContact O-CG 3.27Å; R165-K169 WeakPolarHBondContact O-CG 3.35Å; R165-K169 PolarHBondContact O-N 2.99Å; R165-K169 VanDerWaalsContact O-N 3.11Å; R166-K169 CarbonylContact O-C 3.5Å; R166-K169 WeakPolarHBondContact O-CA 3.33Å; R166-K169 WeakPolarHBondContact O-CB 3.07Å; R166-K169 PolarHBondContact O-N 3.34Å; A167-K169 VanDerWaalsContact C-N 3.35Å; A167-K169 PolarHBondContact O-N 2.94Å; K169-M172 CarbonylContact O-C 3.53Å; K169-M172 PolarHBondContact O-N 3.31Å; K169-F173 WeakPolarHBondContact O-CB 3.13Å; K169-F173 PolarHBondContact O-N 3.25Å
170	D	74.9	Confident	68.1	Low	100 Å²	100	102.8 Å²	102.8	54%	0.535	51%	0.509	S	S	.	.	H	α-helix	trans	-66.4	-44.6	179.7	-62.7	-23.9	0	0	0	110.9	R166 A167 F173 L174	R166-D170 VanDerWaalsContact O-CG 3.23Å; R166-D170 PolarHBondContact O-N 2.97Å; A167-D170 PolarHBondContact O-N 3.14Å; D170-F173 WeakPolarHBondContact O-CB 2.86Å; D170-F173 PolarHBondContact O-N 3.41Å; D170-L174 WeakPolarHBondContact O-CG 3.34Å; D170-L174 PolarHBondContact O-N 3.09Å
171	V	75.1	Confident	66.5	Low	84 Å²	84	109.1 Å²	109.1	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-63.4	-42.8	173.4	173.7	0	0	0	0	110.8	A167 F173 L174 M175	A167-V171 WeakPolarHBondContact O-CB 3.32Å; A167-V171 VanDerWaalsContact O-CG2 3.23Å; A167-V171 WeakPolarHBondContact O-CG2 3.27Å; A167-V171 PolarHBondContact O-N 3.11Å; V171-F173 PolarHBondContact O-N 3Å; V171-L174 PolarHBondContact O-N 2.81Å; V171-M175 WeakPolarHBondContact O-CG 3.26Å; V171-M175 PolarHBondContact O-N 2.77Å
172	M	63.2	Low	65	Low	99 Å²	99	111.4 Å²	111.4	49%	0.488	55%	0.545	S	S	.	.	H	α-helix	trans	-65.9	-27.8	176.3	-169.8	177.4	76.5	0	0	112.4	V168 K169 K180	V168-M172 WeakPolarHBondContact O-CB 3.13Å; V168-M172 PolarHBondContact O-N 2.97Å; K169-M172 CarbonylContact O-C 3.53Å; K169-M172 PolarHBondContact O-N 3.31Å; M172-K180 WeakPolarHBondContact O-CE 3.5Å; M172-K180 PolarHBondContact O-NZ 2.83Å; M172-K180 VanDerWaalsContact O-NZ 3.12Å
173	F	62.5	Low	63.1	Low	172 Å²	172	112.5 Å²	112.5	75%	0.754	55%	0.55	S	S	*	.	H	α-helix	trans	-71.8	-41.2	172.5	-175.4	-98.8	0	0	0	111.5	K169 D170 V171 M175	K169-F173 WeakPolarHBondContact O-CB 3.13Å; K169-F173 PolarHBondContact O-N 3.25Å; D170-F173 WeakPolarHBondContact O-CB 2.86Å; D170-F173 PolarHBondContact O-N 3.41Å; V171-F173 PolarHBondContact O-N 3Å; F173-M175 VanDerWaalsContact C-N 3.31Å; F173-M175 PolarHBondContact O-N 2.8Å
174	L	65.7	Low	61	Low	139 Å²	139	119 Å²	119	73%	0.728	57%	0.566	S	S	*	*	H	α-helix	trans	-71.5	-19.3	177.1	-73.6	159	0	0	0	113.9	D170 V171 P176	D170-L174 WeakPolarHBondContact O-CG 3.34Å; D170-L174 PolarHBondContact O-N 3.09Å; V171-L174 PolarHBondContact O-N 2.81Å; L174-P176 WeakPolarHBondContact O-CD 3.32Å
175	M	59	Low	59	Low	67 Å²	67	125.7 Å²	125.7	33%	0.33	59%	0.588	S	S	.	*	S	Bend	trans	-70.5	126.7	-179.9	-79.9	-153.7	-91.6	0	0	112.6	V171 F173 I179	V171-M175 WeakPolarHBondContact O-CG 3.26Å; V171-M175 PolarHBondContact O-N 2.77Å; F173-M175 VanDerWaalsContact C-N 3.31Å; F173-M175 PolarHBondContact O-N 2.8Å; M175-I179 HydrophobicContact SD-CB 4.38Å; M175-I179 HydrophobicContact SD-CG2 3.56Å; M175-I179 VanDerWaalsContact SD-CG2 3.56Å
176	P	54.2	Low	56.8	Low	76 Å²	76	122.2 Å²	122.2	49%	0.494	60%	0.599	S	S	.	*			trans	-54.1	143.7	173.8	-24.7	32.2	0	0	0	112.5	L174 T178 I179 K180	L174-P176 WeakPolarHBondContact O-CD 3.32Å; P176-T178 PolarHBondContact O-N 2.84Å; P176-I179 PolarHBondContact O-N 3.26Å; P176-K180 PolarHBondContact O-N 3.24Å
177	K	53.9	Low	55	Low	175 Å²	175	118.5 Å²	118.5	76%	0.761	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-20.5	-177.2	-69.8	-178.6	178.9	176.1	0	114.4
178	T	52.9	Low	52.7	Low	98 Å²	98	122.6 Å²	122.6	60%	0.601	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-37.8	174.6	28.1	0	0	0	0	112.9	P176	P176-T178 PolarHBondContact O-N 2.84Å
179	I	52.1	Low	50.5	Low	88 Å²	88	122.6 Å²	122.6	45%	0.451	61%	0.605	S	S	.	*	H	α-helix	trans	-78.1	-32.2	178.1	-60.5	177.8	0	0	0	110.9	M175 P176 R181 I182	M175-I179 HydrophobicContact SD-CB 4.38Å; M175-I179 HydrophobicContact SD-CG2 3.56Å; M175-I179 VanDerWaalsContact SD-CG2 3.56Å; P176-I179 PolarHBondContact O-N 3.26Å; I179-R181 PolarHBondContact O-N 3.43Å; I179-R181 VanDerWaalsContact O-N 3.08Å; I179-I182 PolarHBondContact O-N 2.9Å
180	K	41.5	Very low	48.6	Very low	108 Å²	108	121 Å²	121	47%	0.47	61%	0.609	S	S	.	*	H	α-helix	trans	-54.6	-26.6	173.5	-88.8	-179.6	175.6	164	0	114.3	M172 P176	M172-K180 WeakPolarHBondContact O-CE 3.5Å; M172-K180 PolarHBondContact O-NZ 2.83Å; M172-K180 VanDerWaalsContact O-NZ 3.12Å; P176-K180 PolarHBondContact O-N 3.24Å
181	R	41.3	Very low	46.6	Very low	200 Å²	200	121.5 Å²	121.5	76%	0.755	61%	0.611	S	S	*	*	H	α-helix	trans	-94.5	-24.3	-176.4	-115.2	-173	-69.4	-165.7	0.1	114.4	I179	I179-R181 PolarHBondContact O-N 3.43Å; I179-R181 VanDerWaalsContact O-N 3.08Å
182	I	44.5	Very low	44.6	Very low	132 Å²	132	125.9 Å²	125.9	68%	0.677	63%	0.631	S	S	*	*	H	α-helix	trans	-99.7	-17.1	-165.3	-65.2	173.4	0	0	0	113	I179	I179-I182 PolarHBondContact O-N 2.9Å
183	H	36.8	Very low	43.4	Very low	128 Å²	128	124.6 Å²	124.6	59%	0.593	63%	0.628	S	S	*	*	S	Bend	trans	-135.3	27.2	-165.3	-114.2	59	0	0	0	118.4
184	W	35.8	Very low	41.7	Very low	174 Å²	174	124.8 Å²	124.8	66%	0.659	63%	0.625	S	S	*	*	S	Bend	trans	-136.4	11.7	167.8	-103.3	80	0	0	0	115.7	I187	W184-I187 VanDerWaalsContact CE3-O 3.32Å; W184-I187 VanDerWaalsContact CZ3-O 3.26Å; W184-I187 WeakPolarHBondContact CZ3-O 3.43Å
185	Y	35.6	Very low	40	Very low	215 Å²	215	121.5 Å²	121.5	84%	0.843	62%	0.624	S	S	*	*	S	Bend	trans	-82.4	-18.9	163.8	-80.8	-78.1	0	0	0	112.9
186	G	34.3	Very low	38.6	Very low	75 Å²	75	125.6 Å²	125.6	77%	0.773	65%	0.653	S	S	*	*	S	Bend	trans	-99.5	-11.5	-178	0	0	0	0	0	115.3
187	I	37.1	Very low	37.2	Very low	79 Å²	79	131.3 Å²	131.3	41%	0.405	67%	0.67	S	S	.	*			trans	-123.4	62.4	179.3	-53.9	179.5	0	0	0	107.3	W184 V189	W184-I187 VanDerWaalsContact CE3-O 3.32Å; W184-I187 VanDerWaalsContact CZ3-O 3.26Å; W184-I187 WeakPolarHBondContact CZ3-O 3.43Å; I187-V189 HydrophobicContact CG2-CB 4.18Å; I187-V189 HydrophobicContact CG2-CG2 3.21Å; I187-V189 PolarHBondContact O-N 3.41Å
188	N	30.1	Very low	35.9	Very low	137 Å²	137	131.4 Å²	131.4	73%	0.733	67%	0.673	S	S	*	*			trans	-64.6	83.5	140.6	-93.5	-41.7	0	0	0	104.8	P190	N188-P190 VanDerWaalsContact C-N 3.29Å; N188-P190 WeakPolarHBondContact O-CD 3.46Å
189	V	35.3	Very low	34.8	Very low	86 Å²	86	134.5 Å²	134.5	52%	0.521	69%	0.685	S	S	.	*			trans	-68.4	101.1	150.5	171.7	0	0	0	0	102.2	I187 L191	I187-V189 HydrophobicContact CG2-CB 4.18Å; I187-V189 HydrophobicContact CG2-CG2 3.21Å; I187-V189 PolarHBondContact O-N 3.41Å; V189-L191 VanDerWaalsContact C-N 3.33Å; V189-L191 PolarHBondContact O-N 3.34Å
190	P	34.7	Very low	33.4	Very low	108 Å²	108	141.1 Å²	141.1	70%	0.701	70%	0.704	S	S	*	*			trans	-62	113.8	167.6	-5.4	25.9	0	0	0	102.6	N188 L192	N188-P190 VanDerWaalsContact C-N 3.29Å; N188-P190 WeakPolarHBondContact O-CD 3.46Å; P190-L192 PolarHBondContact O-N 3.38Å
191	L	33.9	Very low	32.6	Very low	112 Å²	112	140.8 Å²	140.8	59%	0.586	71%	0.714	S	S	*	*			trans	-33.1	116.3	168	-104.6	72.9	0	0	0	107.6	V189 V193 Y194	V189-L191 VanDerWaalsContact C-N 3.33Å; V189-L191 PolarHBondContact O-N 3.34Å; L191-V193 HydrophobicContact CB-CB 4.12Å; L191-V193 HydrophobicContact CB-CG2 4.09Å; L191-V193 HydrophobicContact CD2-CB 4.2Å; L191-V193 HydrophobicContact CD2-CG2 3.94Å; L191-V193 HydrophobicContact CG-CG2 4.13Å; L191-V193 PolarHBondContact O-N 3.19Å; L191-Y194 PolarHBondContact O-N 3.49Å
192	L	33.2	Very low	31.9	Very low	176 Å²	176	137.3 Å²	137.3	92%	0.921	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	21.2	167.3	-105.5	150.9	0	0	0	112.7	P190	P190-L192 PolarHBondContact O-N 3.38Å
193	V	36.5	Very low	31	Very low	72 Å²	72	139.2 Å²	139.2	44%	0.436	73%	0.727	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.9	-13.9	-179	-176.5	0	0	0	0	111.4	V155 L191	V155-V193 HydrophobicContact CG1-CG2 3.96Å; L191-V193 HydrophobicContact CB-CB 4.12Å; L191-V193 HydrophobicContact CB-CG2 4.09Å; L191-V193 HydrophobicContact CD2-CB 4.2Å; L191-V193 HydrophobicContact CD2-CG2 3.94Å; L191-V193 HydrophobicContact CG-CG2 4.13Å; L191-V193 PolarHBondContact O-N 3.19Å
194	Y	28.5	Very low	30.4	Very low	176 Å²	176	136 Å²	136	69%	0.69	73%	0.728	S	S	*	*	S	Bend	trans	-111.5	116.1	175.1	-81	-79	0	0	0	112	L191	L191-Y194 PolarHBondContact O-N 3.49Å
195	G	28.1	Very low	30	Very low	69 Å²	69	137.6 Å²	137.6	71%	0.711	74%	0.74	S	S	*	*			trans	-59.3	160.4	-168.9	0	0	0	0	0	115.6	K197	G195-K197 PolarHBondContact O-N 3.45Å
196	V	31.5	Very low	29.6	Very low	154 Å²	154	135.4 Å²	135.4	93%	0.933	74%	0.742	S	S	*	*			trans	-37.2	91.2	168.8	-175.2	0	0	0	0	112
197	K	24.7	Very low	29	Very low	195 Å²	195	141.8 Å²	141.8	85%	0.848	75%	0.749	S	S	*	*			trans	-139.9	112.3	155.6	-94.6	-173.7	178.2	177.2	0	109.4	G195	G195-K197 PolarHBondContact O-N 3.45Å
198	Q	25.8	Very low	28.4	Very low	178 Å²	178	147.2 Å²	147.2	83%	0.832	77%	0.769	S	S	*	*			trans	70.8	77.9	154.1	-123.3	168	0.3	0	0	117.2	R200	Q198-R200 PolarHBondContact O-N 3.44Å; Q198-R200 VanDerWaalsContact O-N 3.08Å
199	I	28.7	Very low	28.2	Very low	163 Å²	163	145.6 Å²	145.6	84%	0.836	77%	0.769	S	S	*	*			trans	-67.9	100.8	157.6	-62.5	168.6	0	0	0	107.6
200	R	23	Very low	27.9	Very low	227 Å²	227	149 Å²	149	86%	0.857	78%	0.782	S	S	*	*			trans	-109.1	90.6	158.5	-134.3	176.9	-172.9	-179	1.4	106.3	Q198 P202	Q198-R200 PolarHBondContact O-N 3.44Å; Q198-R200 VanDerWaalsContact O-N 3.08Å; R200-P202 WeakPolarHBondContact O-CD 3.39Å
201	C	24.5	Very low	27.4	Very low	101 Å²	101	149.9 Å²	149.9	68%	0.682	79%	0.786	S	S	*	*			trans	-61.6	122.8	174.2	-88.6	0	0	0	0	110.3	I203	C201-I203 PolarHBondContact O-N 3.48Å
202	P	27.2	Very low	27	Very low	126 Å²	126	149.4 Å²	149.4	82%	0.818	79%	0.792	S	S	*	*			trans	-85.8	105.1	157.8	16.3	1.9	0	0	0	107.8	R200 G204	R200-P202 WeakPolarHBondContact O-CD 3.39Å; P202-G204 PolarHBondContact O-N 2.91Å
203	I	25.7	Very low	26.7	Very low	173 Å²	173	148 Å²	148	89%	0.887	79%	0.785	S	S	*	*			trans	-62.9	118.7	164.3	-68	164.7	0	0	0	107.4	C201	C201-I203 PolarHBondContact O-N 3.48Å
204	G	24.6	Very low	26.1	Very low	60 Å²	60	150.8 Å²	150.8	62%	0.619	81%	0.806	S	S	*	*			trans	133.1	80.7	163.2	0	0	0	0	0	113.5	P202	P202-G204 PolarHBondContact O-N 2.91Å
205	F	26.3	Very low	26	Very low	208 Å²	208	148.3 Å²	148.3	91%	0.912	81%	0.813	S	S	*	*	S	Bend	trans	179.3	84.7	139.9	-119.8	-95.5	0	0	0	108.4
206	L	27.4	Very low	25.8	Very low	169 Å²	169	152.4 Å²	152.4	89%	0.885	82%	0.819	S	S	*	*			trans	-175.3	58	155.4	-98.6	153.9	0	0	0	108.1
207	K	22.8	Very low	25.6	Very low	209 Å²	209	149.7 Å²	149.7	91%	0.909	81%	0.813	S	S	*	*			trans	-118.7	68.5	165	-154.6	-176.8	-167	-176.5	0	106.7
208	K	24.5	Very low	25.6	Very low	193 Å²	193	145.6 Å²	145.6	84%	0.839	81%	0.809	S	S	*	*	S	Bend	trans	175.6	128.8	160.7	-104.5	168.3	-178.4	-176.1	0	110.3
209	S	26.6	Very low	25.5	Very low	103 Å²	103	146 Å²	146	72%	0.72	81%	0.811	S	S	*	*	S	Bend	trans	70.3	102.1	176.2	-152.1	0	0	0	0	112.1
210	I	28.1	Very low	25.3	Very low	157 Å²	157	144.9 Å²	144.9	81%	0.805	81%	0.811	S	S	*	*				-147	102.8	63.9	-70.8	146.2	0	0	0	107.7
211	T	24.9	Very low	25.3	Very low	127 Å²	127	143 Å²	143	78%	0.779	81%	0.809	S	S	*	*			trans	-99.7	133.9	157	41.5	0	0	0	0	106.6
212	S	25.4	Very low	25.1	Very low	102 Å²	102	147.4 Å²	147.4	71%	0.713	82%	0.822	S	S	*	*	S	Bend	trans	53.8	100.2	173.9	72.9	0	0	0	0	116
213	D	25.3	Very low	24.9	Very low	146 Å²	146	150.1 Å²	150.1	78%	0.781	82%	0.824	S	S	*	*				-173.1	150.3	112.2	-83.9	-23.5	0	0	0	108.6
214	C	25.6	Very low	24.7	Very low	130 Å²	130	151 Å²	151	88%	0.878	82%	0.824	S	S	*	*			trans	89.4	40.5	-179.2	-52.8	0	0	0	0	117.3
215	C	24.6	Very low	24.6	Very low	124 Å²	124	153.6 Å²	153.6	84%	0.838	83%	0.833	S	S	*	*			trans	-87.6	95.2	134.3	-81.3	0	0	0	0	107.1
216	N	24.9	Very low	24.5	Very low	155 Å²	155	149 Å²	149	83%	0.829	82%	0.824	S	S	*	*			trans	166.3	87.2	153.3	-86.4	-16.8	0	0	0	109.8
217	A	27.8	Very low	24.2	Very low	97 Å²	97	150.4 Å²	150.4	80%	0.802	83%	0.826	S	S	*	*			trans	-155.6	50.4	157	0	0	0	0	0	109.7	Q219	A217-Q219 PolarHBondContact O-N 3.26Å
218	S	25	Very low	24.4	Very low	109 Å²	109	146.7 Å²	146.7	76%	0.762	82%	0.82	S	S	*	*			trans	-79.8	93.3	161.7	44.4	0	0	0	0	108.2
219	Q	23.1	Very low	24.3	Very low	188 Å²	188	148.2 Å²	148.2	88%	0.879	82%	0.821	S	S	*	*			trans	156.7	94	151.4	-91.2	-176.2	-2.7	0	0	108.3	A217	A217-Q219 PolarHBondContact O-N 3.26Å
220	V	25.2	Very low	24.1	Very low	138 Å²	138	148.7 Å²	148.7	84%	0.836	82%	0.824	S	S	*	*			trans	-120.1	106.1	158.9	-178.9	0	0	0	0	106.6
221	K	21.2	Very low	24	Very low	188 Å²	188	147.3 Å²	147.3	82%	0.817	82%	0.823	S	S	*	*			trans	-60.7	136.5	170.9	-121.6	173	175.6	-178.3	0	108.5	E223	K221-E223 PolarHBondContact O-N 2.65Å
222	M	20.5	Very low	24	Very low	194 Å²	194	147.3 Å²	147.3	96%	0.956	83%	0.825	S	S	*	*			trans	-62.7	109.8	167.9	-70.5	-172.9	-89.6	0	0	108.7
223	E	23	Very low	24.2	Very low	182 Å²	182	149.9 Å²	149.9	85%	0.85	83%	0.83	S	S	*	*			trans	-118.4	139.3	165.7	-102	177.6	177.7	0	0	109.3	K221	K221-E223 PolarHBondContact O-N 2.65Å
224	E	22.3	Very low	24.1	Very low	191 Å²	191	150.3 Å²	150.3	89%	0.893	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-61.6	143.7	-163.6	-66.4	170.6	142.7	0	0	113.6
225	S	21.7	Very low	24.2	Very low	116 Å²	116	152.2 Å²	152.2	81%	0.811	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-60.4	127.3	177	-69.9	0	0	0	0	111.6	Q227	S225-Q227 PolarHBondContact O-N 2.98Å
226	P	24.8	Very low	24.3	Very low	110 Å²	110	149.4 Å²	149.4	71%	0.714	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-77.4	128.5	174.9	30	-30.1	0	0	0	109.9	V228	P226-V228 PolarHBondContact O-N 3.19Å; P226-V228 VanDerWaalsContact O-N 3.11Å
227	Q	20.9	Very low	24.4	Very low	199 Å²	199	146.4 Å²	146.4	93%	0.93	82%	0.821	S	S	*	*			trans	-61	107.7	164.5	-68.7	-157.4	-14.8	0	0	109.7	S225	S225-Q227 PolarHBondContact O-N 2.98Å
228	V	27.2	Very low	24.5	Very low	131 Å²	131	149.9 Å²	149.9	79%	0.794	82%	0.824	S	S	*	*			trans	-101.2	108.7	170.2	-178.9	0	0	0	0	109.3	P226	P226-V228 PolarHBondContact O-N 3.19Å; P226-V228 VanDerWaalsContact O-N 3.11Å
229	R	21.8	Very low	24.5	Very low	226 Å²	226	154.5 Å²	154.5	85%	0.853	83%	0.834	S	S	*	*			trans	-53.1	133.9	174.6	-172.8	179.5	-82.3	-176.2	-7.6	111.6
230	S	23.4	Very low	24.6	Very low	112 Å²	112	148.4 Å²	148.4	78%	0.783	82%	0.821	S	S	*	*			trans	-55.9	126	172.2	50.5	0	0	0	0	112.8
231	T	26.3	Very low	24.5	Very low	128 Å²	128	145.9 Å²	145.9	79%	0.785	82%	0.823	S	S	*	*			trans	-113.7	139.7	159.8	40.8	0	0	0	0	110
232	P	25	Very low	24.9	Very low	127 Å²	127	144.9 Å²	144.9	83%	0.825	83%	0.825	S	S	*	*			trans	-83.7	137.3	-166.4	4.3	14.6	0	0	0	111.1	D234	P232-D234 PolarHBondContact O-N 3.06Å
233	I	28.2	Very low	25.2	Very low	157 Å²	157	140.7 Å²	140.7	81%	0.805	82%	0.815	S	S	*	*			trans	-78	111.7	172.5	-63.4	171.3	0	0	0	107.7
234	D	24.7	Very low	25.4	Very low	154 Å²	154	140 Å²	140	82%	0.824	82%	0.816	S	S	*	*			trans	-67.5	124.3	176.2	-168.8	0.8	0	0	0	110.7	P232 G236	P232-D234 PolarHBondContact O-N 3.06Å; D234-G236 VanDerWaalsContact C-N 3.34Å; D234-G236 PolarHBondContact O-N 3.31Å
235	L	27.6	Very low	25.7	Very low	171 Å²	171	139 Å²	139	90%	0.895	81%	0.812	S	S	*	*			trans	-96	28.8	-170.8	-112.4	130.1	0	0	0	112.4
236	G	26.5	Very low	26	Very low	65 Å²	65	141.8 Å²	141.8	67%	0.67	82%	0.816	S	S	*	*			trans	-97.1	6.5	-169.5	0	0	0	0	0	118.2	D234	D234-G236 VanDerWaalsContact C-N 3.34Å; D234-G236 PolarHBondContact O-N 3.31Å
237	A	26.6	Very low	26.1	Very low	91 Å²	91	143.8 Å²	143.8	75%	0.752	82%	0.82	S	S	*	*			trans	-137.5	50.8	-165.4	0	0	0	0	0	116.5
238	I	29.2	Very low	26.5	Very low	170 Å²	170	143.6 Å²	143.6	87%	0.872	82%	0.816	S	S	*	*			trans	-140.4	59.4	152.7	-46.1	177.9	0	0	0	109.7
239	Q	25	Very low	26.7	Very low	207 Å²	207	146 Å²	146	97%	0.967	82%	0.819	S	S	*	*			trans	-95.5	92.8	152.4	-87.2	-174	-23.1	0	0	107
240	G	25.4	Very low	27	Very low	60 Å²	60	137.6 Å²	137.6	62%	0.619	80%	0.803	S	S	*	*			trans	-147.1	88.2	177.7	0	0	0	0	0	109.1	I242	G240-I242 PolarHBondContact O-N 3.49Å
241	G	24	Very low	27.4	Very low	85 Å²	85	136.7 Å²	136.7	88%	0.876	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-59.1	129.4	177.5	0	0	0	0	0	111.8
242	I	29	Very low	27.7	Very low	167 Å²	167	134.4 Å²	134.4	86%	0.856	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-102.7	118.3	162.9	-64.4	176.6	0	0	0	106.5	G240	G240-I242 PolarHBondContact O-N 3.49Å
243	S	26.5	Very low	27.9	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-48.1	131.6	-174.7	-74.1	0	0	0	0	114.8	Q245	S243-Q245 VanDerWaalsContact C-N 3.27Å; S243-Q245 PolarHBondContact O-N 3.42Å; S243-Q245 VanDerWaalsContact O-N 3.07Å
244	L	27.8	Very low	28.1	Very low	169 Å²	169	134.7 Å²	134.7	89%	0.885	77%	0.774	S	S	*	*	S	Bend	trans	-84	51.4	-176.6	-141.9	154.4	0	0	0	111.7
245	Q	28.6	Very low	28.4	Very low	170 Å²	170	135.5 Å²	135.5	79%	0.794	77%	0.77	S	S	*	*			trans	-126.4	11.8	-170	-142.1	148.6	-13.2	0	0	116.5	S243	S243-Q245 VanDerWaalsContact C-N 3.27Å; S243-Q245 PolarHBondContact O-N 3.42Å; S243-Q245 VanDerWaalsContact O-N 3.07Å
246	L	27.9	Very low	28.6	Very low	174 Å²	174	131 Å²	131	91%	0.911	75%	0.752	S	S	*	*	S	Bend	trans	-111.3	10.6	175.6	-80.7	166.4	0	0	0	115.2
247	L	27.3	Very low	28.9	Very low	151 Å²	151	134.3 Å²	134.3	79%	0.791	75%	0.751	S	S	*	*	S	Bend	trans	-103.6	13.4	-177.8	-104.1	157.2	0	0	0	115.2
248	K	28.9	Very low	29.1	Very low	196 Å²	196	135.9 Å²	135.9	85%	0.852	74%	0.741	S	S	*	*	S	Bend	trans	-101.6	-9	179.5	-82.3	-170	176.2	-177.8	0	116.4
249	E	30.9	Very low	29.3	Very low	181 Å²	181	131.1 Å²	131.1	85%	0.846	73%	0.727	S	S	*	*	S	Bend	trans	-104.6	-3.9	-175.6	-68.2	-176.8	169.5	0	0	114.7
250	G	28.5	Very low	29.6	Very low	50 Å²	50	124.6 Å²	124.6	52%	0.515	70%	0.704	S	S	.	*	S	Bend	trans	-83.5	-17.3	179	0	0	0	0	0	116.3
251	T	32.4	Very low	29.7	Very low	92 Å²	92	131.5 Å²	131.5	56%	0.564	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-4.5	-166.9	48.9	0	0	0	0	115.5
252	A	32.7	Very low	30.1	Very low	81 Å²	81	130.4 Å²	130.4	67%	0.669	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-32.3	176.5	0	0	0	0	0	112.8
253	Q	29	Very low	30.5	Very low	147 Å²	147	125.8 Å²	125.8	69%	0.687	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-27.9	-174.2	-143.2	166.4	-15.5	0	0	112.6	K255 S256 Q257	Q253-K255 VanDerWaalsContact C-N 3.32Å; Q253-K255 PolarHBondContact O-N 3.42Å; Q253-S256 PolarHBondContact O-N 2.94Å; Q253-S256 PolarHBondContact O-OG 3.07Å; Q253-Q257 PolarHBondContact O-N 2.7Å
254	E	31.7	Very low	30.7	Very low	142 Å²	142	128.5 Å²	128.5	66%	0.664	67%	0.669	S	S	*	*	H	α-helix	trans	-68.7	-27.4	172.3	-85.4	-177	143.1	0	0	113.3	S256 F258	E254-S256 VanDerWaalsContact C-N 3.34Å; E254-S256 PolarHBondContact O-N 2.9Å; E254-F258 WeakPolarHBondContact O-CB 3.38Å; E254-F258 PolarHBondContact O-N 3.06Å; E254-F258 VanDerWaalsContact O-N 3.16Å
255	K	30.5	Very low	31	Very low	171 Å²	171	127.2 Å²	127.2	74%	0.743	66%	0.659	S	S	*	*	H	α-helix	trans	-70.4	-26.7	178.4	-77.2	-176.2	177.7	179.7	0	113.6	Q253	Q253-K255 VanDerWaalsContact C-N 3.32Å; Q253-K255 PolarHBondContact O-N 3.42Å
256	S	33.4	Very low	31.2	Very low	76 Å²	76	122.4 Å²	122.4	53%	0.531	64%	0.638	S	S	.	*	H	α-helix	trans	-87.8	-34.5	178.9	70.6	0	0	0	0	112.8	Q253 E254 A259	Q253-S256 PolarHBondContact O-N 2.94Å; Q253-S256 PolarHBondContact O-OG 3.07Å; E254-S256 VanDerWaalsContact C-N 3.34Å; E254-S256 PolarHBondContact O-N 2.9Å; S256-A259 PolarHBondContact O-N 2.92Å
257	Q	31.4	Very low	31.4	Very low	135 Å²	135	122 Å²	122	63%	0.631	63%	0.632	S	S	*	*	H	α-helix	trans	-74.6	-27	176	-83	-177.8	-19.4	0	0	113.5	Q253 A259 S260 R261	Q253-Q257 PolarHBondContact O-N 2.7Å; Q257-A259 VanDerWaalsContact C-N 3.28Å; Q257-A259 PolarHBondContact O-N 3.39Å; Q257-S260 PolarHBondContact O-OG 3.36Å; Q257-R261 PolarHBondContact O-N 3.5Å
258	F	32.3	Very low	31.7	Very low	124 Å²	124	119 Å²	119	54%	0.544	63%	0.629	S	S	.	*	H	α-helix	trans	-69.4	-26.3	173.6	-168.3	-99.3	0	0	0	112.7	E254	E254-F258 WeakPolarHBondContact O-CB 3.38Å; E254-F258 PolarHBondContact O-N 3.06Å; E254-F258 VanDerWaalsContact O-N 3.16Å
259	A	31.6	Very low	31.9	Very low	70 Å²	70	114.1 Å²	114.1	58%	0.579	61%	0.609	S	S	*	*	H	α-helix	trans	-75.6	-33.5	178.3	0	0	0	0	0	112.9	S256 Q257	S256-A259 PolarHBondContact O-N 2.92Å; Q257-A259 VanDerWaalsContact C-N 3.28Å; Q257-A259 PolarHBondContact O-N 3.39Å
260	S	31.2	Very low	32.2	Very low	70 Å²	70	112.3 Å²	112.3	49%	0.49	60%	0.604	S	S	.	*	H	α-helix	trans	-87.2	-19.4	-176	52.6	0	0	0	0	114.8	Q257 S263	Q257-S260 PolarHBondContact O-OG 3.36Å; S260-S263 PolarHBondContact O-OG 2.95Å
261	R	28.5	Very low	32.2	Very low	205 Å²	205	118.6 Å²	118.6	77%	0.774	62%	0.621	S	S	*	*	H	α-helix	trans	-83.2	-29.2	-179.3	-152.7	171.3	-177.6	166	-0.9	113.1	Q257	Q257-R261 PolarHBondContact O-N 3.5Å
262	N	31.6	Very low	31.9	Very low	62 Å²	62	118.8 Å²	118.8	33%	0.332	63%	0.631	S	S	.	*	G	3₁₀ helix	trans	-76.2	-20	175	-80.2	-30.8	0	0	0	113.4	Q264	N262-Q264 VanDerWaalsContact C-N 3.34Å; N262-Q264 PolarHBondContact O-N 2.83Å
263	S	37	Very low	31.7	Very low	71 Å²	71	119.4 Å²	119.4	50%	0.497	63%	0.631	S	S	.	*	G	3₁₀ helix	trans	-73.4	-21	-178.8	43.1	0	0	0	0	114.2	S260	S260-S263 PolarHBondContact O-OG 2.95Å
264	Q	32.3	Very low	31.7	Very low	162 Å²	162	117.8 Å²	117.8	76%	0.757	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-82.4	-19.9	-179.8	-74.6	-173.1	-48.9	0	0	113.9	N262	N262-Q264 VanDerWaalsContact C-N 3.34Å; N262-Q264 PolarHBondContact O-N 2.83Å
265	E	32.6	Very low	31.2	Very low	141 Å²	141	120 Å²	120	66%	0.659	64%	0.643	S	S	*	*	S	Bend	trans	-88.6	-11.8	-180	-72.2	-177.1	169.8	0	0	113.5
266	D	34.2	Very low	31	Very low	69 Å²	69	118.5 Å²	118.5	37%	0.369	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-90.6	-2.8	-174	-74.4	-26	0	0	0	114	A268 K514	D266-A268 VanDerWaalsContact C-N 3.31Å; D266-A268 PolarHBondContact O-N 3.49Å; D266-K514 IonicContact OD1-NZ 3.53Å; D266-K514 PolarHBondContact OD1-NZ 2.94Å
267	E	32.1	Very low	30.4	Very low	166 Å²	166	121.2 Å²	121.2	78%	0.776	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-72	-18.8	176.9	-79.8	-174.7	159.1	0	0	113.8
268	A	32.4	Very low	29.9	Very low	89 Å²	89	119.2 Å²	119.2	74%	0.736	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-83.7	-16.6	-171.1	0	0	0	0	0	116	D266	D266-A268 VanDerWaalsContact C-N 3.31Å; D266-A268 PolarHBondContact O-N 3.49Å
269	E	34.7	Very low	29.4	Very low	92 Å²	92	121.6 Å²	121.6	43%	0.43	68%	0.681	S	S	.	*	S	Bend	trans	-95.9	-8.8	-172.9	-151.8	176.6	166.9	0	0	114
270	L	36.4	Very low	28.9	Very low	143 Å²	143	125.6 Å²	125.6	75%	0.749	69%	0.691	S	S	*	*	S	Bend	trans	-92.7	-16.3	-179.2	-146.2	84.2	0	0	0	114.5	A272	L270-A272 VanDerWaalsContact C-N 3.31Å; L270-A272 PolarHBondContact O-N 3.31Å
271	E	28.4	Very low	28.5	Very low	183 Å²	183	130.8 Å²	130.8	86%	0.855	71%	0.705	S	S	*	*	S	Bend	trans	-82.7	-1.3	-179.1	-70.1	-139.1	148.5	0	0	114.6	S273	E271-S273 PolarHBondContact O-N 3.36Å
272	A	26.6	Very low	28.2	Very low	95 Å²	95	126.1 Å²	126.1	79%	0.785	70%	0.704	S	S	*	*			trans	-93.9	66.3	176.6	0	0	0	0	0	112.4	L270	L270-A272 VanDerWaalsContact C-N 3.31Å; L270-A272 PolarHBondContact O-N 3.31Å
273	S	28.6	Very low	27.8	Very low	94 Å²	94	130.2 Å²	130.2	66%	0.657	73%	0.726	S	S	*	*			trans	-149.8	123.5	157.6	-173.7	0	0	0	0	108.9	E271	E271-S273 PolarHBondContact O-N 3.36Å
274	P	27.2	Very low	27.4	Very low	114 Å²	114	132 Å²	132	74%	0.74	74%	0.735	S	S	*	*			trans	-77.2	156.4	178.5	32.5	-31.4	0	0	0	110.9
275	E	22.7	Very low	26.9	Very low	187 Å²	187	129.2 Å²	129.2	87%	0.874	73%	0.73	S	S	*	*			trans	90.2	105.3	173.2	-54.9	-176.1	164.5	0	0	117.1
276	T	24.9	Very low	26.7	Very low	141 Å²	141	129 Å²	129	87%	0.865	74%	0.738	S	S	*	*				-176.6	139.3	91.6	-54.4	0	0	0	0	110.3
277	V	20.8	Very low	26	Very low	132 Å²	132	132 Å²	132	80%	0.8	75%	0.754	S	S	*	*			trans	-77.6	150.1	-175.7	166.6	0	0	0	0	113.1
278	A	22.2	Very low	25.8	Very low	93 Å²	93	132.3 Å²	132.3	77%	0.769	76%	0.755	S	S	*	*			trans	70.4	136.7	165.1	0	0	0	0	0	116
279	E	22.1	Very low	25.3	Very low	175 Å²	175	132 Å²	132	82%	0.818	75%	0.753	S	S	*	*			cis	-163.1	148.6	49.9	-164.6	175.2	174.7	0	0	111.5
280	I	19.5	Very low	24.9	Very low	154 Å²	154	133.2 Å²	133.2	79%	0.79	77%	0.771	S	S	*	*			trans	-78.3	138.3	178.4	-65.9	161.8	0	0	0	110.8
281	K	23.6	Very low	24.1	Very low	179 Å²	179	132 Å²	132	78%	0.778	78%	0.775	S	S	*	*			trans	-173.8	100.2	148.3	-102.4	157.9	-171.6	171.2	0	108.1
282	S	23.1	Very low	24	Very low	106 Å²	106	127.9 Å²	127.9	74%	0.741	77%	0.766	S	S	*	*				94.5	112.7	87.3	65.9	0	0	0	0	112.2
283	D	22.5	Very low	23.8	Very low	149 Å²	149	131.6 Å²	131.6	80%	0.797	77%	0.767	S	S	*	*			trans	-29.3	155.2	158.2	-116.5	-35.7	0	0	0	115.5
284	P	29	Very low	23.4	Very low	107 Å²	107	135.9 Å²	135.9	70%	0.695	78%	0.777	S	S	*	*				-151.3	141.1	85.2	40.6	-21.5	0	0	0	118.2
285	T	22.1	Very low	23.2	Very low	104 Å²	104	135.6 Å²	135.6	64%	0.638	78%	0.784	S	S	*	*				60.9	117.9	128.2	61.8	0	0	0	0	121.4
286	T	27.4	Very low	23.2	Very low	138 Å²	138	130 Å²	130	85%	0.847	78%	0.777	S	S	*	*				-178.5	101	117.4	14.6	0	0	0	0	107.7
287	D	20.8	Very low	23.3	Very low	130 Å²	130	131.9 Å²	131.9	70%	0.695	78%	0.776	S	S	*	*				60.4	120.7	80.5	-87.7	-19.8	0	0	0	118.3
288	H	26	Very low	23.4	Very low	174 Å²	174	134.6 Å²	134.6	81%	0.806	78%	0.78	S	S	*	*			trans	69.6	149.3	154.4	-60	-55.4	0	0	0	118.8
289	A	22.3	Very low	23.7	Very low	82 Å²	82	137 Å²	137	68%	0.678	78%	0.78	S	S	*	*			cis	176.1	136.1	-19.8	0	0	0	0	0	103.5
290	S	26.3	Very low	23.8	Very low	117 Å²	117	134 Å²	134	82%	0.818	78%	0.778	S	S	*	*			trans	165.4	107.6	140.4	53.7	0	0	0	0	111.2
291	S	19.9	Very low	24.3	Very low	118 Å²	118	130.8 Å²	130.8	83%	0.825	77%	0.769	S	S	*	*			trans	-57.3	138.5	154.2	43.6	0	0	0	0	113.2
292	S	25.5	Very low	24.6	Very low	97 Å²	97	128.3 Å²	128.3	68%	0.678	77%	0.774	S	S	*	*			trans	-167.8	120	143.1	53.7	0	0	0	0	111.8
293	E	24	Very low	25	Very low	173 Å²	173	131.1 Å²	131.1	81%	0.808	78%	0.776	S	S	*	*			trans	64.7	108.2	136.2	-68.5	170.7	155.3	0	0	119.1
294	Q	20.7	Very low	25.3	Very low	183 Å²	183	130 Å²	130	86%	0.855	77%	0.765	S	S	*	*				82.3	129.2	81.6	-94.6	-167.9	-1.6	0	0	114.9
295	A	22.5	Very low	25.8	Very low	108 Å²	108	129.7 Å²	129.7	89%	0.893	76%	0.764	S	S	*	*			trans	80.8	118.5	156.7	0	0	0	0	0	118.2
296	G	22.5	Very low	26.4	Very low	71 Å²	71	132.3 Å²	132.3	73%	0.732	77%	0.769	S	S	*	*			trans	147.8	106.2	149.4	0	0	0	0	0	115.6
297	E	25.7	Very low	26.9	Very low	180 Å²	180	129.7 Å²	129.7	84%	0.841	76%	0.761	S	S	*	*			trans	88.4	95.6	142.9	-57.8	-175.9	161.3	0	0	119.1	N299	E297-N299 PolarHBondContact O-N 2.97Å
298	H	23.6	Very low	27.5	Very low	189 Å²	189	129.2 Å²	129.2	88%	0.875	75%	0.754	S	S	*	*			trans	-44.5	98.6	145.7	-78.7	-83	0	0	0	111.6	S300	H298-S300 PolarHBondContact O-N 3.35Å
299	N	28.9	Very low	28.2	Very low	144 Å²	144	124.3 Å²	124.3	77%	0.77	74%	0.736	S	S	*	*			trans	-85	91.6	160.1	-89.1	-25.2	0	0	0	109.8	E297 S301	E297-N299 PolarHBondContact O-N 2.97Å; N299-S301 PolarHBondContact O-N 2.93Å
300	S	24.1	Very low	28.7	Very low	112 Å²	112	125.5 Å²	125.5	78%	0.783	73%	0.728	S	S	*	*			trans	-69.6	102.7	154.1	52.1	0	0	0	0	109.3	H298	H298-S300 PolarHBondContact O-N 3.35Å
301	S	30.3	Very low	29.2	Very low	85 Å²	85	127.2 Å²	127.2	59%	0.594	72%	0.723	S	S	*	*			trans	-143.4	68.1	161.6	39	0	0	0	0	109.4	N299 E303	N299-S301 PolarHBondContact O-N 2.93Å; S301-E303 PolarHBondContact O-N 2.89Å
302	S	30.5	Very low	29.9	Very low	127 Å²	127	126.5 Å²	126.5	89%	0.888	71%	0.706	S	S	*	*			trans	-73	73.9	156.2	59.7	0	0	0	0	108.4
303	E	30.6	Very low	30.7	Very low	166 Å²	166	125.5 Å²	125.5	78%	0.776	69%	0.693	S	S	*	*			trans	-105	108.6	176.2	-80.7	-175	140.3	0	0	111	S301	S301-E303 PolarHBondContact O-N 2.89Å
304	Q	28.8	Very low	31.9	Very low	124 Å²	124	123.4 Å²	123.4	58%	0.579	68%	0.681	S	S	*	*			trans	58.3	97.5	151.4	-53.6	-153.3	-55.1	0	0	119.9	E306	Q304-E306 VanDerWaalsContact C-N 3.34Å
305	P	39.7	Very low	33.4	Very low	101 Å²	101	116.5 Å²	116.5	66%	0.656	65%	0.653	S	S	*	*	S	Bend	trans	-77	-9.9	166.2	-10.4	26.9	0	0	0	114.7	A307 H308 V309	P305-A307 PolarHBondContact O-N 3.29Å; P305-H308 PolarHBondContact O-N 2.92Å; P305-V309 VanDerWaalsContact O-CG2 3.24Å; P305-V309 WeakPolarHBondContact O-CG2 3.47Å; P305-V309 PolarHBondContact O-N 3.05Å
306	E	34.9	Very low	34.8	Very low	160 Å²	160	112.6 Å²	112.6	75%	0.748	62%	0.624	S	S	*	*	H	α-helix	trans	-72.2	-31	-164.2	-68.7	-167.6	167.5	0	0	115.2	Q304 V309	Q304-E306 VanDerWaalsContact C-N 3.34Å; E306-V309 PolarHBondContact O-N 2.83Å
307	A	38.2	Very low	36.2	Very low	82 Å²	82	117.8 Å²	117.8	68%	0.678	63%	0.629	S	S	*	*	H	α-helix	trans	-74.9	-30.7	178.3	0	0	0	0	0	112.6	P305 V309	P305-A307 PolarHBondContact O-N 3.29Å; A307-V309 VanDerWaalsContact C-N 3.33Å
308	H	32.5	Very low	38	Very low	120 Å²	120	111.2 Å²	111.2	56%	0.556	61%	0.609	S	S	*	*	H	α-helix	trans	-75.6	-23.6	176.2	-75.6	-64.2	0	0	0	112.6	P305 E310 E311 H312	P305-H308 PolarHBondContact O-N 2.92Å; H308-E310 VanDerWaalsContact C-N 3.28Å; H308-E310 PolarHBondContact O-N 3.32Å; H308-E311 PolarHBondContact O-N 3.33Å; H308-H312 PolarHBondContact O-CD2 3Å; H308-H312 PolarHBondContact O-N 3.4Å
309	V	40	Very low	40.1	Very low	71 Å²	71	104.8 Å²	104.8	43%	0.43	58%	0.58	S	S	.	*	H	α-helix	trans	-64.7	-30.6	-179.8	169.4	0	0	0	0	112	P305 E306 A307 H312 I313	P305-V309 VanDerWaalsContact O-CG2 3.24Å; P305-V309 WeakPolarHBondContact O-CG2 3.47Å; P305-V309 PolarHBondContact O-N 3.05Å; E306-V309 PolarHBondContact O-N 2.83Å; A307-V309 VanDerWaalsContact C-N 3.33Å; V309-H312 CarbonylContact O-C 3.59Å; V309-H312 PolarHBondContact O-N 2.79Å; V309-I313 HydrophobicContact CG1-CD1 3.68Å; V309-I313 HydrophobicContact CG1-CG1 4.07Å; V309-I313 WeakPolarHBondContact O-CB 3.47Å; V309-I313 WeakPolarHBondContact O-CD1 3.5Å; V309-I313 WeakPolarHBondContact O-CG1 3.26Å; V309-I313 PolarHBondContact O-N 3.49Å
310	E	32.8	Very low	42.5	Very low	107 Å²	107	99.9 Å²	99.9	50%	0.5	56%	0.555	S	S	.	*	H	α-helix	trans	-68.5	-44.6	179.7	-69.7	-172.8	169.5	0	0	112.6	H308 H312 I313 F314	H308-E310 VanDerWaalsContact C-N 3.28Å; H308-E310 PolarHBondContact O-N 3.32Å; E310-H312 VanDerWaalsContact C-N 3.31Å; E310-H312 PolarHBondContact O-N 3.1Å; E310-I313 PolarHBondContact O-N 3.39Å; E310-F314 WeakPolarHBondContact O-CD2 3.4Å
311	E	37.7	Very low	45.1	Very low	153 Å²	153	100 Å²	100	72%	0.715	54%	0.543	S	S	*	.	H	α-helix	trans	-65.1	-36.4	173.6	-74.3	-178.8	167.5	0	0	111.6	H308 I313 F314	H308-E311 PolarHBondContact O-N 3.33Å; E311-I313 VanDerWaalsContact C-N 3.33Å; E311-I313 PolarHBondContact O-N 3.35Å; E311-F314 PolarHBondContact O-N 2.93Å
312	H	34.9	Very low	47.5	Very low	103 Å²	103	98.6 Å²	98.6	48%	0.477	53%	0.528	S	S	.	.	H	α-helix	trans	-72.8	-16.6	175.7	-71.1	-55.7	0	0	0	114.9	H308 V309 E310	H308-H312 PolarHBondContact O-CD2 3Å; H308-H312 PolarHBondContact O-N 3.4Å; V309-H312 CarbonylContact O-C 3.59Å; V309-H312 PolarHBondContact O-N 2.79Å; E310-H312 VanDerWaalsContact C-N 3.31Å; E310-H312 PolarHBondContact O-N 3.1Å
313	I	42	Very low	49.7	Very low	77 Å²	77	95 Å²	95	40%	0.395	50%	0.499	S	S	.	.	H	α-helix	trans	-74.8	-30.8	174.9	-79.3	161.5	0	0	0	111.1	V309 E310 E311	V309-I313 HydrophobicContact CG1-CD1 3.68Å; V309-I313 HydrophobicContact CG1-CG1 4.07Å; V309-I313 WeakPolarHBondContact O-CB 3.47Å; V309-I313 WeakPolarHBondContact O-CD1 3.5Å; V309-I313 WeakPolarHBondContact O-CG1 3.26Å; V309-I313 PolarHBondContact O-N 3.49Å; E310-I313 PolarHBondContact O-N 3.39Å; E311-I313 VanDerWaalsContact C-N 3.33Å; E311-I313 PolarHBondContact O-N 3.35Å
314	F	49.6	Very low	52	Low	128 Å²	128	91.9 Å²	91.9	56%	0.561	49%	0.485	S	S	*	.	H	α-helix	trans	-89.3	-32	-171.4	-69.4	-69.6	0	0	0	113.5	R96 E310 E311	R96-F314 PolarHBondContact NH2-O 3.27Å; E310-F314 WeakPolarHBondContact O-CD2 3.4Å; E311-F314 PolarHBondContact O-N 2.93Å
315	S	50.9	Low	54.3	Low	38 Å²	38	90.9 Å²	90.9	27%	0.266	48%	0.483	S	S	.	.			trans	-152.3	137	175.6	-53.9	0	0	0	0	110.2	V320	S315-V320 VanDerWaalsContact OG-CG2 3.26Å; S315-V320 WeakPolarHBondContact OG-CG2 3.24Å
316	G	52.1	Low	56.1	Low	27 Å²	27	86.3 Å²	86.3	28%	0.278	45%	0.454	S	S	.	.			trans	-60.2	159	163.3	0	0	0	0	0	111.4	G318 E319	G316-G318 PolarHBondContact O-N 2.77Å; G316-G318 VanDerWaalsContact O-N 3.08Å; G316-E319 VanDerWaalsContact CA-CD 3.46Å; G316-E319 PolarHBondContact N-OE2 3.28Å; G316-E319 WeakPolarHBondContact O-CB 3.13Å; G316-E319 PolarHBondContact O-N 2.96Å
317	Q	51.9	Low	58.3	Low	179 Å²	179	80.1 Å²	80.1	84%	0.836	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	119	176.7	-76.5	-174.8	-23.7	0	0	109.9	E319	Q317-E319 VanDerWaalsContact C-N 3.34Å; Q317-E319 PolarHBondContact O-N 3.31Å
318	G	63.3	Low	60.3	Low	42 Å²	42	79.2 Å²	79.2	43%	0.433	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-5.7	179.2	0	0	0	0	0	116.3	G316 V320	G316-G318 PolarHBondContact O-N 2.77Å; G316-G318 VanDerWaalsContact O-N 3.08Å; G318-V320 VanDerWaalsContact C-N 3.29Å; G318-V320 PolarHBondContact O-N 3.44Å
319	E	68.8	Low	62.6	Low	54 Å²	54	75.2 Å²	75.2	25%	0.252	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-31.7	179.4	-73.9	-177.8	-176.4	0	0	112.6	G316 Q317 F351 H352	G316-E319 VanDerWaalsContact CA-CD 3.46Å; G316-E319 PolarHBondContact N-OE2 3.28Å; G316-E319 WeakPolarHBondContact O-CB 3.13Å; G316-E319 PolarHBondContact O-N 2.96Å; Q317-E319 VanDerWaalsContact C-N 3.34Å; Q317-E319 PolarHBondContact O-N 3.31Å; E319-F351 CarbonylContact O-C 3.57Å; E319-F351 WeakPolarHBondContact O-CA 3.47Å; E319-H352 PolarHBondContact O-N 3.21Å
320	V	79.2	Confident	64.6	Low	41 Å²	41	73.6 Å²	73.6	25%	0.248	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	121.3	179.1	-173.7	0	0	0	0	109	S315 G318 I322 I349 F350 F351	S315-V320 VanDerWaalsContact OG-CG2 3.26Å; S315-V320 WeakPolarHBondContact OG-CG2 3.24Å; G318-V320 VanDerWaalsContact C-N 3.29Å; G318-V320 PolarHBondContact O-N 3.44Å; V320-I322 HydrophobicContact CG1-CD1 4.14Å; V320-I322 HydrophobicContact CG1-CG1 3.98Å; V320-I349 HydrophobicContact CG1-CG2 3.61Å; V320-F350 CarbonylContact C-O 3.57Å; V320-F350 WeakPolarHBondContact CA-O 3.37Å; V320-F351 HydrophobicContact CG1-CD1 4.38Å; V320-F351 HydrophobicContact CG1-CE1 4.09Å; V320-F351 HydrophobicContact CG2-CD1 3.68Å; V320-F351 HydrophobicContact CG2-CE1 3.77Å
321	Q	77.6	Confident	67	Low	115 Å²	115	74.7 Å²	74.7	54%	0.537	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.8	174.2	-55.3	179.8	5	0	0	109.4	F350	Q321-F350 HydrophobicContact CB-CB 4.23Å; Q321-F350 PolarHBondContact N-O 3.17Å; Q321-F350 PolarHBondContact O-N 2.97Å
322	I	81.6	Confident	69.1	Low	56 Å²	56	73.4 Å²	73.4	29%	0.287	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.8	178.8	-54.1	178.3	0	0	0	107.3	V320 E324 L327 L347 I349	V320-I322 HydrophobicContact CG1-CD1 4.14Å; V320-I322 HydrophobicContact CG1-CG1 3.98Å; I322-E324 PolarHBondContact O-N 3.1Å; I322-L327 HydrophobicContact CG2-CB 4.18Å; I322-L327 HydrophobicContact CG2-CD2 4.31Å; I322-L347 HydrophobicContact CG2-CD1 3.61Å; I322-L347 HydrophobicContact CG2-CD2 4.25Å; I322-L347 HydrophobicContact CG2-CG 4.14Å; I322-I349 HydrophobicContact CD1-CG1 4.45Å; I322-I349 HydrophobicContact CD1-CG2 4.44Å; I322-I349 HydrophobicContact CG1-CB 4.48Å; I322-I349 HydrophobicContact CG1-CG1 4.2Å; I322-I349 HydrophobicContact CG1-CG2 3.97Å
323	D	76.3	Confident	71.2	Confident	52 Å²	52	72.4 Å²	72.4	28%	0.278	37%	0.371	S	S	.	.			trans	-66.6	101.5	169.5	-178.3	-9.5	0	0	0	109.4	N325 A326 L327 R515	D323-N325 PolarHBondContact O-N 3.06Å; D323-N325 WeakPolarHBondContact OD1-CB 3.31Å; D323-N325 PolarHBondContact OD1-N 3.31Å; D323-N325 VanDerWaalsContact OD1-N 3.08Å; D323-A326 HydrophobicContact CB-CB 3.92Å; D323-A326 WeakPolarHBondContact O-CB 3.43Å; D323-A326 PolarHBondContact O-N 2.94Å; D323-A326 PolarHBondContact OD1-N 2.99Å; D323-L327 PolarHBondContact O-N 3.08Å; D323-R515 IonicContact OD2-NH1 3.98Å; D323-R515 PolarHBondContact OD2-NH1 3.34Å; D323-R515 VanDerWaalsContact OD2-NH1 3.15Å
324	E	78.9	Confident	73	Confident	100 Å²	100	74.4 Å²	74.4	47%	0.467	38%	0.382	S	S	.	.	H	α-helix	trans	-57.1	-30.5	-179.1	-76.4	-59.7	146.4	0	0	112.8	I322 L327 N328 R331	I322-E324 PolarHBondContact O-N 3.1Å; E324-L327 PolarHBondContact O-N 2.87Å; E324-N328 VanDerWaalsContact O-CB 3.23Å; E324-N328 WeakPolarHBondContact O-CB 3.47Å; E324-N328 PolarHBondContact O-N 2.85Å; E324-N328 PolarHBondContact O-ND2 2.93Å; E324-R331 IonicContact OE2-NH1 3.57Å
325	N	77.6	Confident	74.5	Confident	102 Å²	102	72.6 Å²	72.6	55%	0.545	39%	0.39	S	S	.	.	H	α-helix	trans	-70.5	-41.8	176.9	-64.4	-46.5	0	0	0	111.1	D323 N328 S329	D323-N325 PolarHBondContact O-N 3.06Å; D323-N325 WeakPolarHBondContact OD1-CB 3.31Å; D323-N325 PolarHBondContact OD1-N 3.31Å; D323-N325 VanDerWaalsContact OD1-N 3.08Å; N325-N328 PolarHBondContact O-N 3.46Å; N325-S329 PolarHBondContact O-N 3.24Å
326	A	77.1	Confident	75.9	Confident	6 Å²	6	72.3 Å²	72.3	5%	0.05	39%	0.39	C	S	.	.	H	α-helix	trans	-63.9	-44.8	174.3	0	0	0	0	0	110.6	D323 N328 S329 V330 L347	D323-A326 HydrophobicContact CB-CB 3.92Å; D323-A326 WeakPolarHBondContact O-CB 3.43Å; D323-A326 PolarHBondContact O-N 2.94Å; D323-A326 PolarHBondContact OD1-N 2.99Å; A326-N328 PolarHBondContact O-N 2.98Å; A326-S329 PolarHBondContact O-N 3.25Å; A326-S329 PolarHBondContact O-OG 3.26Å; A326-V330 WeakPolarHBondContact O-CG2 3.44Å; A326-V330 PolarHBondContact O-N 2.97Å; A326-L347 HydrophobicContact CB-CD1 4.08Å
327	L	80.9	Confident	76.9	Confident	29 Å²	29	78.2 Å²	78.2	15%	0.152	42%	0.415	C	S	.	.	H	α-helix	trans	-61.5	-42.4	177.6	-175.1	58.4	0	0	0	112.2	I322 D323 E324 V330 R331 L347	I322-L327 HydrophobicContact CG2-CB 4.18Å; I322-L327 HydrophobicContact CG2-CD2 4.31Å; D323-L327 PolarHBondContact O-N 3.08Å; E324-L327 PolarHBondContact O-N 2.87Å; L327-V330 PolarHBondContact O-N 3.26Å; L327-R331 WeakPolarHBondContact O-CG 3.35Å; L327-R331 PolarHBondContact O-N 3.39Å; L327-L347 HydrophobicContact CB-CD1 4.35Å; L327-L347 HydrophobicContact CD1-CD2 4.49Å
328	N	80.7	Confident	77.7	Confident	64 Å²	64	71.3 Å²	71.3	34%	0.342	39%	0.392	S	S	.	.	H	α-helix	trans	-66.1	-36.3	175.9	-72.6	-28.3	0	0	0	112.3	E324 N325 A326 V330 R331 Q332	E324-N328 VanDerWaalsContact O-CB 3.23Å; E324-N328 WeakPolarHBondContact O-CB 3.47Å; E324-N328 PolarHBondContact O-N 2.85Å; E324-N328 PolarHBondContact O-ND2 2.93Å; N325-N328 PolarHBondContact O-N 3.46Å; A326-N328 PolarHBondContact O-N 2.98Å; N328-V330 VanDerWaalsContact C-N 3.32Å; N328-V330 PolarHBondContact O-N 2.85Å; N328-R331 PolarHBondContact O-N 3.4Å; N328-R331 PolarHBondContact OD1-NH1 3.33Å; N328-Q332 WeakPolarHBondContact O-CB 3.39Å; N328-Q332 VanDerWaalsContact O-CG 3.31Å; N328-Q332 WeakPolarHBondContact O-CG 3.21Å; N328-Q332 PolarHBondContact O-N 3.44Å
329	S	80	Confident	78	Confident	35 Å²	35	74.1 Å²	74.1	25%	0.245	41%	0.406	C	S	.	.	H	α-helix	trans	-62.6	-39.6	173.2	77.3	0	0	0	0	112.2	N325 A326 Q332 Y333	N325-S329 PolarHBondContact O-N 3.24Å; A326-S329 PolarHBondContact O-N 3.25Å; A326-S329 PolarHBondContact O-OG 3.26Å; S329-Q332 PolarHBondContact O-N 2.91Å; S329-Y333 WeakPolarHBondContact O-CB 3.37Å; S329-Y333 PolarHBondContact O-N 2.97Å
330	V	81.7	Confident	77.9	Confident	37 Å²	37	74.3 Å²	74.3	22%	0.224	41%	0.408	C	S	.	.	H	α-helix	trans	-66.2	-45.8	175	174.3	0	0	0	0	110.5	A326 L327 N328 Q332 Y333 I334 P344	A326-V330 WeakPolarHBondContact O-CG2 3.44Å; A326-V330 PolarHBondContact O-N 2.97Å; L327-V330 PolarHBondContact O-N 3.26Å; N328-V330 VanDerWaalsContact C-N 3.32Å; N328-V330 PolarHBondContact O-N 2.85Å; V330-Q332 VanDerWaalsContact C-N 3.31Å; V330-Q332 PolarHBondContact O-N 3.08Å; V330-Y333 PolarHBondContact O-N 3.45Å; V330-I334 HydrophobicContact CG1-CD1 3.78Å; V330-I334 HydrophobicContact CG1-CG1 4.45Å; V330-I334 VanDerWaalsContact O-CG1 3.29Å; V330-I334 WeakPolarHBondContact O-CG1 3.24Å; V330-I334 PolarHBondContact O-N 2.93Å; V330-P344 HydrophobicContact CG2-CB 3.91Å
331	R	83.6	Confident	76.9	Confident	131 Å²	131	78.3 Å²	78.3	49%	0.494	44%	0.435	S	S	.	.	H	α-helix	trans	-58.1	-42.6	176.2	-72.8	172	176.7	146.7	-2.8	111.8	E324 L327 N328 I334 A335	E324-R331 IonicContact OE2-NH1 3.57Å; L327-R331 WeakPolarHBondContact O-CG 3.35Å; L327-R331 PolarHBondContact O-N 3.39Å; N328-R331 PolarHBondContact O-N 3.4Å; N328-R331 PolarHBondContact OD1-NH1 3.33Å; R331-I334 PolarHBondContact O-N 2.83Å; R331-A335 VanDerWaalsContact O-CB 3.3Å; R331-A335 WeakPolarHBondContact O-CB 3.48Å; R331-A335 PolarHBondContact O-N 3.23Å
332	Q	81.9	Confident	76.3	Confident	126 Å²	126	80.2 Å²	80.2	59%	0.589	44%	0.443	S	S	*	.	H	α-helix	trans	-65.4	-44.9	177	-74.2	175.6	5.1	0	0	112	N328 S329 V330 I334 A335 A336 I340	N328-Q332 WeakPolarHBondContact O-CB 3.39Å; N328-Q332 VanDerWaalsContact O-CG 3.31Å; N328-Q332 WeakPolarHBondContact O-CG 3.21Å; N328-Q332 PolarHBondContact O-N 3.44Å; S329-Q332 PolarHBondContact O-N 2.91Å; V330-Q332 VanDerWaalsContact C-N 3.31Å; V330-Q332 PolarHBondContact O-N 3.08Å; Q332-I334 VanDerWaalsContact C-N 3.32Å; Q332-I334 PolarHBondContact O-N 3.33Å; Q332-A335 PolarHBondContact O-N 2.93Å; Q332-A336 WeakPolarHBondContact O-CB 3.34Å; Q332-A336 PolarHBondContact O-N 3.12Å; Q332-I340 HydrophobicContact CB-CD1 4.27Å; Q332-I340 WeakPolarHBondContact O-CD1 3.48Å
333	Y	80.5	Confident	75.7	Confident	81 Å²	81	82.6 Å²	82.6	32%	0.318	46%	0.461	S	S	.	.	H	α-helix	trans	-59.7	-42.5	177	-174.3	-96.6	0	0	0	112.3	S329 V330 N337 G338 P344	S329-Y333 WeakPolarHBondContact O-CB 3.37Å; S329-Y333 PolarHBondContact O-N 2.97Å; V330-Y333 PolarHBondContact O-N 3.45Å; Y333-N337 PolarHBondContact O-N 2.84Å; Y333-G338 PolarHBondContact O-N 3.18Å; Y333-G338 VanDerWaalsContact O-N 3.15Å; Y333-P344 HydrophobicContact CD1-CG 3.98Å; Y333-P344 HydrophobicContact CD2-CG 4.31Å; Y333-P344 HydrophobicContact CG-CG 3.85Å
334	I	79.9	Confident	75.5	Confident	119 Å²	119	80.9 Å²	80.9	61%	0.61	45%	0.453	S	S	*	.	H	α-helix	trans	-65.6	-46.9	175.2	-66.1	167.4	0	0	0	110.9	V330 R331 Q332 A336 N337	V330-I334 HydrophobicContact CG1-CD1 3.78Å; V330-I334 HydrophobicContact CG1-CG1 4.45Å; V330-I334 VanDerWaalsContact O-CG1 3.29Å; V330-I334 WeakPolarHBondContact O-CG1 3.24Å; V330-I334 PolarHBondContact O-N 2.93Å; R331-I334 PolarHBondContact O-N 2.83Å; Q332-I334 VanDerWaalsContact C-N 3.32Å; Q332-I334 PolarHBondContact O-N 3.33Å; I334-A336 PolarHBondContact O-N 3.44Å; I334-N337 PolarHBondContact O-N 2.91Å
335	A	79.6	Confident	75.2	Confident	90 Å²	90	81.2 Å²	81.2	74%	0.744	45%	0.452	S	S	*	.	H	α-helix	trans	-61	-32.7	-179.8	0	0	0	0	0	112.6	R331 Q332 N337	R331-A335 VanDerWaalsContact O-CB 3.3Å; R331-A335 WeakPolarHBondContact O-CB 3.48Å; R331-A335 PolarHBondContact O-N 3.23Å; Q332-A335 PolarHBondContact O-N 2.93Å; A335-N337 VanDerWaalsContact C-N 3.28Å
336	A	80.5	Confident	75.2	Confident	32 Å²	32	78.2 Å²	78.2	26%	0.264	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	3.5	175.4	0	0	0	0	0	114	Q332 I334 G338 S339 I340	Q332-A336 WeakPolarHBondContact O-CB 3.34Å; Q332-A336 PolarHBondContact O-N 3.12Å; I334-A336 PolarHBondContact O-N 3.44Å; A336-G338 PolarHBondContact O-N 3.26Å; A336-G338 VanDerWaalsContact O-N 3.15Å; A336-S339 WeakPolarHBondContact O-CB 3.24Å; A336-S339 PolarHBondContact O-N 2.77Å; A336-S339 PolarHBondContact O-OG 3.32Å; A336-I340 HydrophobicContact CB-CD1 3.57Å; A336-I340 HydrophobicContact CB-CG1 3.35Å
337	N	73.8	Confident	75.4	Confident	151 Å²	151	79.3 Å²	79.3	81%	0.807	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	36.3	-179.1	-159.3	40	0	0	0	113.2	Y333 I334 A335 S339	Y333-N337 PolarHBondContact O-N 2.84Å; I334-N337 PolarHBondContact O-N 2.91Å; A335-N337 VanDerWaalsContact C-N 3.28Å; N337-S339 PolarHBondContact O-N 2.93Å
338	G	68	Low	75.4	Confident	34 Å²	34	78.1 Å²	78.1	35%	0.351	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	7.7	-177.8	0	0	0	0	0	116	Y333 A336 I340	Y333-G338 PolarHBondContact O-N 3.18Å; Y333-G338 VanDerWaalsContact O-N 3.15Å; A336-G338 PolarHBondContact O-N 3.26Å; A336-G338 VanDerWaalsContact O-N 3.15Å; G338-I340 PolarHBondContact O-N 3.29Å
339	S	68.9	Low	75.8	Confident	102 Å²	102	75.7 Å²	75.7	71%	0.713	42%	0.424	S	S	*	.			trans	-74.2	-8.3	179.9	-49.3	0	0	0	0	114.1	A336 N337	A336-S339 WeakPolarHBondContact O-CB 3.24Å; A336-S339 PolarHBondContact O-N 2.77Å; A336-S339 PolarHBondContact O-OG 3.32Å; N337-S339 PolarHBondContact O-N 2.93Å
340	I	67.5	Low	76.1	Confident	57 Å²	57	75 Å²	75	29%	0.292	42%	0.417	S	S	.	.	S	Bend	trans	-88.1	128.2	177	-41.3	173.1	0	0	0	107.8	Q332 A336 G338 E342	Q332-I340 HydrophobicContact CB-CD1 4.27Å; Q332-I340 WeakPolarHBondContact O-CD1 3.48Å; A336-I340 HydrophobicContact CB-CD1 3.57Å; A336-I340 HydrophobicContact CB-CG1 3.35Å; G338-I340 PolarHBondContact O-N 3.29Å; I340-E342 HydrophobicContact CG2-CB 4.27Å; I340-E342 PolarHBondContact O-N 2.89Å
341	P	57.6	Low	76.3	Confident	126 Å²	126	74.9 Å²	74.9	82%	0.818	41%	0.413	S	S	*	.	S	Bend	trans	-67.3	-18.5	-179.9	24.7	-32.6	0	0	0	113.5	T343	P341-T343 PolarHBondContact O-N 3.42Å
342	E	65.5	Low	76.4	Confident	154 Å²	154	71.4 Å²	71.4	72%	0.72	40%	0.403	S	S	*	.	S	Bend	trans	-78.5	106.1	179.6	-67.4	178.4	-170.8	0	0	110.3	I340	I340-E342 HydrophobicContact CG2-CB 4.27Å; I340-E342 PolarHBondContact O-N 2.89Å
343	T	68.1	Low	76.4	Confident	106 Å²	106	65.9 Å²	65.9	65%	0.65	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-60.9	128.6	169.4	49.4	0	0	0	0	109.8	P341	P341-T343 PolarHBondContact O-N 3.42Å
344	P	73.4	Confident	76.2	Confident	17 Å²	17	67.9 Å²	67.9	11%	0.11	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-63.8	157	-178.6	23.7	-30.1	0	0	0	111	V330 Y333 L370	V330-P344 HydrophobicContact CG2-CB 3.91Å; Y333-P344 HydrophobicContact CD1-CG 3.98Å; Y333-P344 HydrophobicContact CD2-CG 4.31Å; Y333-P344 HydrophobicContact CG-CG 3.85Å; P344-L370 HydrophobicContact CB-CD2 4.43Å; P344-L370 HydrophobicContact CG-CD2 3.93Å; P344-L370 WeakPolarHBondContact O-CD1 3.36Å; P344-L370 WeakPolarHBondContact O-CD2 3.49Å
345	K	72.5	Confident	75.7	Confident	106 Å²	106	64.1 Å²	64.1	46%	0.461	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-74.4	147.2	175.8	-67.2	175.8	-177.8	174.5	0	109.8
346	P	76.8	Confident	75.3	Confident	40 Å²	40	59.9 Å²	59.9	26%	0.26	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-51.1	143.1	166.3	-25.6	34.6	0	0	0	111.1	L368	P346-L368 WeakPolarHBondContact CB-O 3.28Å
347	L	81.6	Confident	74.6	Confident	28 Å²	28	60.6 Å²	60.6	15%	0.147	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.3	-176.4	-168.6	69.4	0	0	0	109.8	I322 A326 L327 I349 L368	I322-L347 HydrophobicContact CG2-CD1 3.61Å; I322-L347 HydrophobicContact CG2-CD2 4.25Å; I322-L347 HydrophobicContact CG2-CG 4.14Å; A326-L347 HydrophobicContact CB-CD1 4.08Å; L327-L347 HydrophobicContact CB-CD1 4.35Å; L327-L347 HydrophobicContact CD1-CD2 4.49Å; L347-I349 HydrophobicContact CD2-CD1 3.94Å; L347-I349 HydrophobicContact CD2-CG1 4.01Å; L347-I349 HydrophobicContact CG-CG1 4.07Å; L347-L368 HydrophobicContact CB-CB 4.32Å; L347-L368 HydrophobicContact CD2-CD1 4.4Å; L347-L368 PolarHBondContact N-O 2.84Å; L347-L368 WeakPolarHBondContact O-CB 3.5Å; L347-L368 PolarHBondContact O-N 2.94Å
348	D	81.1	Confident	74.6	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.027	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.4	170.8	-62.1	-38.5	0	0	0	109.3	F350 V366 R515 L517	D348-F350 HydrophobicContact CB-CE2 4.47Å; D348-V366 CarbonylContact C-O 3.49Å; D348-V366 WeakPolarHBondContact CA-O 3.28Å; D348-R515 IonicContact OD2-CZ 3.47Å; D348-R515 IonicContact OD2-NE 3.83Å; D348-R515 PolarHBondContact OD2-NE 3.48Å; D348-R515 VanDerWaalsContact OD2-NE 3.07Å; D348-R515 IonicContact OD2-NH2 3.69Å; D348-R515 PolarHBondContact OD2-NH2 3.41Å; D348-L517 WeakPolarHBondContact OD1-CD2 3.28Å; D348-L517 WeakPolarHBondContact OD2-CD1 3.41Å
349	I	88.3	Confident	74.8	Confident	12 Å²	12	61.6 Å²	61.6	6%	0.062	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.6	179.1	-51.2	177.6	0	0	0	108.2	V320 I322 L347 F351 V366 L368	V320-I349 HydrophobicContact CG1-CG2 3.61Å; I322-I349 HydrophobicContact CD1-CG1 4.45Å; I322-I349 HydrophobicContact CD1-CG2 4.44Å; I322-I349 HydrophobicContact CG1-CB 4.48Å; I322-I349 HydrophobicContact CG1-CG1 4.2Å; I322-I349 HydrophobicContact CG1-CG2 3.97Å; L347-I349 HydrophobicContact CD2-CD1 3.94Å; L347-I349 HydrophobicContact CD2-CG1 4.01Å; L347-I349 HydrophobicContact CG-CG1 4.07Å; I349-F351 HydrophobicContact CB-CE2 3.93Å; I349-F351 HydrophobicContact CB-CZ 4.45Å; I349-F351 HydrophobicContact CG2-CD2 3.91Å; I349-F351 HydrophobicContact CG2-CE1 4.26Å; I349-F351 HydrophobicContact CG2-CE2 3.33Å; I349-F351 HydrophobicContact CG2-CZ 3.53Å; I349-V366 HydrophobicContact CB-CB 4.36Å; I349-V366 PolarHBondContact N-O 2.76Å; I349-V366 PolarHBondContact O-N 3.15Å; I349-L368 HydrophobicContact CD1-CD1 3.65Å; I349-L368 HydrophobicContact CD1-CG 4.31Å
350	F	86.7	Confident	75.3	Confident	22 Å²	22	58.2 Å²	58.2	10%	0.096	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.4	172.4	-60.5	-97.2	0	0	0	108.8	V320 Q321 D348 E363 Q365 R515	V320-F350 CarbonylContact C-O 3.57Å; V320-F350 WeakPolarHBondContact CA-O 3.37Å; Q321-F350 HydrophobicContact CB-CB 4.23Å; Q321-F350 PolarHBondContact N-O 3.17Å; Q321-F350 PolarHBondContact O-N 2.97Å; D348-F350 HydrophobicContact CB-CE2 4.47Å; F350-E363 WeakPolarHBondContact CD1-OE1 3.41Å; F350-Q365 HydrophobicContact CD1-CB 4.11Å; F350-Q365 HydrophobicContact CD1-CG 4.09Å; F350-Q365 HydrophobicContact CE1-CB 4.05Å; F350-Q365 HydrophobicContact CE1-CG 3.65Å; F350-Q365 HydrophobicContact CZ-CG 4.14Å; F350-R515 HydrophobicContact CZ-CB 4.41Å; F350-R515 HydrophobicContact CZ-CG 4.29Å
351	F	87.4	Confident	76.1	Confident	33 Å²	33	60.4 Å²	60.4	15%	0.145	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.4	173.2	-64.8	-91.4	0	0	0	109.3	E319 V320 I349 E363 V364 V366 L417	E319-F351 CarbonylContact O-C 3.57Å; E319-F351 WeakPolarHBondContact O-CA 3.47Å; V320-F351 HydrophobicContact CG1-CD1 4.38Å; V320-F351 HydrophobicContact CG1-CE1 4.09Å; V320-F351 HydrophobicContact CG2-CD1 3.68Å; V320-F351 HydrophobicContact CG2-CE1 3.77Å; I349-F351 HydrophobicContact CB-CE2 3.93Å; I349-F351 HydrophobicContact CB-CZ 4.45Å; I349-F351 HydrophobicContact CG2-CD2 3.91Å; I349-F351 HydrophobicContact CG2-CE1 4.26Å; I349-F351 HydrophobicContact CG2-CE2 3.33Å; I349-F351 HydrophobicContact CG2-CZ 3.53Å; F351-E363 CarbonylContact O-C 3.5Å; F351-E363 WeakPolarHBondContact O-CA 3.48Å; F351-V364 HydrophobicContact CB-CB 4.26Å; F351-V364 PolarHBondContact N-O 3.49Å; F351-V364 PolarHBondContact O-N 3.29Å; F351-V366 HydrophobicContact CD2-CB 4.45Å; F351-V366 HydrophobicContact CD2-CG2 3.65Å; F351-V366 HydrophobicContact CE2-CB 4.14Å; F351-V366 HydrophobicContact CE2-CG2 3.64Å; F351-L417 HydrophobicContact CB-CD2 4.22Å; F351-L417 HydrophobicContact CD1-CD1 3.64Å; F351-L417 HydrophobicContact CD2-CD1 4.08Å; F351-L417 HydrophobicContact CD2-CD2 4.33Å; F351-L417 HydrophobicContact CE1-CD1 3.72Å; F351-L417 HydrophobicContact CE2-CD1 4.13Å; F351-L417 HydrophobicContact CG-CD1 3.84Å; F351-L417 HydrophobicContact CG-CD2 4.19Å; F351-L417 HydrophobicContact CZ-CD1 3.96Å
352	H	84.5	Confident	77.5	Confident	59 Å²	59	54.4 Å²	54.4	27%	0.273	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113.6	170.3	-166.7	73.4	0	0	0	109.1	E319 E361	E319-H352 PolarHBondContact O-N 3.21Å; H352-E361 IonicContact CE1-OE2 2.63Å
353	L	82.2	Confident	78.6	Confident	10 Å²	10	49.8 Å²	49.8	5%	0.052	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111.3	177.9	-56.6	-176.7	0	0	0	109.1	V89 V356 M362 V364 L417 L420	V89-L353 HydrophobicContact CG2-CD2 3.53Å; L353-V356 HydrophobicContact CB-CG2 3.74Å; L353-V356 HydrophobicContact CD1-CG2 4.4Å; L353-M362 HydrophobicContact CB-CB 4.31Å; L353-M362 PolarHBondContact N-O 3.3Å; L353-M362 PolarHBondContact O-N 3.15Å; L353-V364 HydrophobicContact CD1-CG2 3.68Å; L353-V364 HydrophobicContact CG-CG2 4.15Å; L353-L417 HydrophobicContact CD1-CD2 4.35Å; L353-L420 HydrophobicContact CD1-CD2 4.19Å
354	E	77	Confident	79.7	Confident	122 Å²	122	44.8 Å²	44.8	57%	0.57	24%	0.243	S	C	*	.			trans	-87.2	135.4	173.1	-66.5	-175.6	-177.4	0	0	111.4	G88	G88-E354 PolarHBondContact N-O 2.85Å
355	G	69	Low	80.4	Confident	40 Å²	40	44 Å²	44	41%	0.412	24%	0.238	S	C	.	.			trans	73.3	36.9	167.5	0	0	0	0	0	114.6	S87 G357 G360	S87-G355 WeakPolarHBondContact CB-O 3.39Å; S87-G355 PolarHBondContact OG-O 3.44Å; G355-G357 PolarHBondContact O-N 3.42Å; G355-G360 PolarHBondContact N-O 3.33Å
356	V	70.2	Confident	81.3	Confident	1 Å²	1	39 Å²	39	1%	0.006	22%	0.216	C	C	.	.			trans	-66.6	83.5	174.2	-175.3	0	0	0	0	109.3	L353 K358 L359 G360 M362 A424	L353-V356 HydrophobicContact CB-CG2 3.74Å; L353-V356 HydrophobicContact CD1-CG2 4.4Å; V356-K358 PolarHBondContact O-N 3.5Å; V356-L359 HydrophobicContact CG1-CD1 4.28Å; V356-L359 VanDerWaalsContact O-CB 3.31Å; V356-L359 WeakPolarHBondContact O-CB 3.39Å; V356-L359 PolarHBondContact O-N 2.94Å; V356-G360 PolarHBondContact N-O 3.28Å; V356-M362 HydrophobicContact CG1-CE 4.24Å; V356-M362 HydrophobicContact CG2-CB 3.96Å; V356-M362 HydrophobicContact CG2-SD 4.48Å; V356-A424 HydrophobicContact CG1-CB 3.66Å
357	G	67.1	Low	81.7	Confident	47 Å²	47	39.1 Å²	39.1	49%	0.485	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-130.2	-174.4	0	0	0	0	0	112.9	G355 L359	G355-G357 PolarHBondContact O-N 3.42Å; G357-L359 VanDerWaalsContact C-N 3.34Å
358	K	72.1	Confident	82	Confident	183 Å²	183	38.9 Å²	38.9	80%	0.796	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.6	175.5	-64.9	-177.9	-178.2	174.5	0	114.4	V356	V356-K358 PolarHBondContact O-N 3.5Å
359	L	73.4	Confident	82.2	Confident	23 Å²	23	39.9 Å²	39.9	12%	0.12	22%	0.219	C	C	.	.	S	Bend	trans	-80.1	-20.8	-172.3	-55.6	174.7	0	0	0	112.8	V356 G357 M362 T386 L387 A424 Q425 L428	V356-L359 HydrophobicContact CG1-CD1 4.28Å; V356-L359 VanDerWaalsContact O-CB 3.31Å; V356-L359 WeakPolarHBondContact O-CB 3.39Å; V356-L359 PolarHBondContact O-N 2.94Å; G357-L359 VanDerWaalsContact C-N 3.34Å; L359-M362 HydrophobicContact CD1-CE 4.24Å; L359-T386 WeakPolarHBondContact O-CB 3.46Å; L359-T386 VanDerWaalsContact O-CG2 3.26Å; L359-T386 WeakPolarHBondContact O-CG2 3.29Å; L359-T386 PolarHBondContact O-OG1 2.85Å; L359-L387 HydrophobicContact CD2-CD2 3.93Å; L359-A424 HydrophobicContact CD1-CB 3.88Å; L359-Q425 HydrophobicContact CD1-CB 4.48Å; L359-L428 HydrophobicContact CD1-CD1 3.53Å; L359-L428 HydrophobicContact CD2-CD1 3.62Å; L359-L428 HydrophobicContact CG-CD1 4.22Å
360	G	80.2	Confident	81.8	Confident	32 Å²	32	44.2 Å²	44.2	33%	0.33	24%	0.241	S	C	.	.			trans	87.3	-138	-178.9	0	0	0	0	0	112.6	G355 V356	G355-G360 PolarHBondContact N-O 3.33Å; V356-G360 PolarHBondContact N-O 3.28Å
361	E	83.7	Confident	81.6	Confident	102 Å²	102	45.2 Å²	45.2	48%	0.477	25%	0.248	S	C	.	.			trans	-76.2	134.2	-180	-67.9	173.2	-166.2	0	0	112	H352 C384 K385	H352-E361 IonicContact CE1-OE2 2.63Å; E361-C384 PolarHBondContact O-SG 3.08Å; E361-K385 IonicContact OE2-NZ 3.06Å
362	M	86.4	Confident	81.5	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.5	175	-177.1	176.5	-68.5	0	0	110.4	L353 V356 L359 V364 A382 R383 C384 L395 L420 A424	L353-M362 HydrophobicContact CB-CB 4.31Å; L353-M362 PolarHBondContact N-O 3.3Å; L353-M362 PolarHBondContact O-N 3.15Å; V356-M362 HydrophobicContact CG1-CE 4.24Å; V356-M362 HydrophobicContact CG2-CB 3.96Å; V356-M362 HydrophobicContact CG2-SD 4.48Å; L359-M362 HydrophobicContact CD1-CE 4.24Å; M362-V364 HydrophobicContact CG-CG2 4.37Å; M362-A382 HydrophobicContact CG-CB 4.43Å; M362-A382 HydrophobicContact SD-CB 4.07Å; M362-R383 CarbonylContact C-O 3.46Å; M362-R383 WeakPolarHBondContact CA-O 3.37Å; M362-R383 WeakPolarHBondContact CG-O 3.06Å; M362-C384 HydrophobicContact CB-CB 4.49Å; M362-C384 HydrophobicContact CE-CB 4.09Å; M362-C384 HydrophobicContact CG-CB 4.36Å; M362-L395 HydrophobicContact CE-CD2 3.67Å; M362-L395 HydrophobicContact SD-CD2 4.3Å; M362-L420 HydrophobicContact SD-CD1 4.37Å; M362-L420 HydrophobicContact SD-CD2 3.8Å; M362-L420 HydrophobicContact SD-CG 4.01Å; M362-A424 HydrophobicContact CE-CB 4.1Å
363	E	88.4	Confident	81.4	Confident	57 Å²	57	44.1 Å²	44.1	27%	0.266	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.1	173.8	179.3	-172.1	-145	0	0	109.1	F350 F351 A382 R383	F350-E363 WeakPolarHBondContact CD1-OE1 3.41Å; F351-E363 CarbonylContact O-C 3.5Å; F351-E363 WeakPolarHBondContact O-CA 3.48Å; E363-A382 CarbonylContact O-C 3.56Å; E363-A382 WeakPolarHBondContact O-CA 3.44Å; E363-R383 HydrophobicContact CB-CB 4.39Å; E363-R383 PolarHBondContact N-O 3.33Å; E363-R383 PolarHBondContact O-N 3.46Å; E363-R383 IonicContact OE2-NH1 3.56Å; E363-R383 PolarHBondContact OE2-NH1 2.94Å
364	V	90.8	Very high	81.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	110.7	176.9	-172.9	0	0	0	0	109.2	F351 L353 M362 V366 M380 F381 A382 L417 L420	F351-V364 HydrophobicContact CB-CB 4.26Å; F351-V364 PolarHBondContact N-O 3.49Å; F351-V364 PolarHBondContact O-N 3.29Å; L353-V364 HydrophobicContact CD1-CG2 3.68Å; L353-V364 HydrophobicContact CG-CG2 4.15Å; M362-V364 HydrophobicContact CG-CG2 4.37Å; V364-V366 HydrophobicContact CG1-CG2 4.11Å; V364-M380 HydrophobicContact CG1-CE 3.77Å; V364-F381 WeakPolarHBondContact CA-O 3.41Å; V364-A382 HydrophobicContact CG2-CB 4.42Å; V364-L417 HydrophobicContact CB-CD2 4.1Å; V364-L417 HydrophobicContact CG1-CD2 4.02Å; V364-L417 HydrophobicContact CG2-CD2 4.17Å; V364-L420 HydrophobicContact CG1-CD2 4.49Å; V364-L420 HydrophobicContact CG2-CD2 3.51Å
365	Q	89.1	Confident	81.8	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.2	173.1	-176.4	-175.5	-5.3	0	0	109.5	F350 M380 F381 I516 L517	F350-Q365 HydrophobicContact CD1-CB 4.11Å; F350-Q365 HydrophobicContact CD1-CG 4.09Å; F350-Q365 HydrophobicContact CE1-CB 4.05Å; F350-Q365 HydrophobicContact CE1-CG 3.65Å; F350-Q365 HydrophobicContact CZ-CG 4.14Å; Q365-M380 CarbonylContact O-C 3.18Å; Q365-M380 VanDerWaalsContact O-CA 3.27Å; Q365-M380 WeakPolarHBondContact O-CA 3.49Å; Q365-F381 PolarHBondContact N-O 2.89Å; Q365-F381 PolarHBondContact O-N 2.96Å; Q365-I516 PolarHBondContact NE2-O 3.11Å; Q365-L517 VanDerWaalsContact NE2-CD2 3.34Å
366	V	91.2	Very high	82.6	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123	-179.6	-179.5	0	0	0	0	109.2	D348 I349 F351 V364 L368 P378 S379 M380 L413	D348-V366 CarbonylContact C-O 3.49Å; D348-V366 WeakPolarHBondContact CA-O 3.28Å; I349-V366 HydrophobicContact CB-CB 4.36Å; I349-V366 PolarHBondContact N-O 2.76Å; I349-V366 PolarHBondContact O-N 3.15Å; F351-V366 HydrophobicContact CD2-CB 4.45Å; F351-V366 HydrophobicContact CD2-CG2 3.65Å; F351-V366 HydrophobicContact CE2-CB 4.14Å; F351-V366 HydrophobicContact CE2-CG2 3.64Å; V364-V366 HydrophobicContact CG1-CG2 4.11Å; V366-L368 HydrophobicContact CG1-CD2 3.63Å; V366-L368 HydrophobicContact CG1-CG 4.21Å; V366-P378 HydrophobicContact CG1-CB 4.22Å; V366-S379 WeakPolarHBondContact CA-O 3.22Å; V366-M380 HydrophobicContact CG1-CG 4.25Å; V366-M380 HydrophobicContact CG2-CE 3.85Å; V366-M380 HydrophobicContact CG2-CG 4Å; V366-M380 HydrophobicContact CG2-SD 4.47Å; V366-L413 HydrophobicContact CG1-CD1 4.49Å; V366-L413 HydrophobicContact CG1-CD2 3.52Å
367	E	86	Confident	83.5	Confident	43 Å²	43	57.9 Å²	57.9	20%	0.201	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.6	170.6	176.6	179.5	-173	0	0	108.9	S379	E367-S379 PolarHBondContact N-O 2.71Å; E367-S379 PolarHBondContact O-N 3.03Å
368	L	88.2	Confident	84.7	Confident	24 Å²	24	55.9 Å²	55.9	13%	0.126	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.1	178.1	-58.9	-174.1	0	0	0	110.1	P346 L347 I349 V366 Y372 P378 L413	P346-L368 WeakPolarHBondContact CB-O 3.28Å; L347-L368 HydrophobicContact CB-CB 4.32Å; L347-L368 HydrophobicContact CD2-CD1 4.4Å; L347-L368 PolarHBondContact N-O 2.84Å; L347-L368 WeakPolarHBondContact O-CB 3.5Å; L347-L368 PolarHBondContact O-N 2.94Å; I349-L368 HydrophobicContact CD1-CD1 3.65Å; I349-L368 HydrophobicContact CD1-CG 4.31Å; V366-L368 HydrophobicContact CG1-CD2 3.63Å; V366-L368 HydrophobicContact CG1-CG 4.21Å; L368-Y372 HydrophobicContact CD2-CD1 4.24Å; L368-Y372 HydrophobicContact CD2-CE1 4.28Å; L368-Y372 HydrophobicContact CD2-CG 4.42Å; L368-P378 HydrophobicContact CD2-CB 3.77Å; L368-L413 HydrophobicContact CD1-CD1 4.28Å; L368-L413 HydrophobicContact CD2-CD1 4.01Å; L368-L413 HydrophobicContact CD2-CD2 4.02Å; L368-L413 HydrophobicContact CD2-CG 4.41Å
369	P	83.8	Confident	85.5	Confident	26 Å²	26	49.4 Å²	49.4	17%	0.169	26%	0.259	C	S	.	.			trans	-68.8	153.4	173.3	30.3	-34.1	0	0	0	110.4	N371 Y372 R376	P369-N371 WeakPolarHBondContact CB-OD1 3.48Å; P369-N371 PolarHBondContact O-N 3.27Å; P369-Y372 VanDerWaalsContact O-CB 3.22Å; P369-Y372 WeakPolarHBondContact O-CB 3.3Å; P369-Y372 PolarHBondContact O-N 2.92Å; P369-R376 HydrophobicContact CB-CB 4.41Å; P369-R376 HydrophobicContact CG-CB 3.79Å
370	L	81.1	Confident	86.4	Confident	102 Å²	102	48.6 Å²	48.6	53%	0.534	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.1	-177.2	-68.7	175.9	0	0	0	114.6	P344	P344-L370 HydrophobicContact CB-CD2 4.43Å; P344-L370 HydrophobicContact CG-CD2 3.93Å; P344-L370 WeakPolarHBondContact O-CD1 3.36Å; P344-L370 WeakPolarHBondContact O-CD2 3.49Å
371	N	82.3	Confident	86.9	Confident	44 Å²	44	47.5 Å²	47.5	24%	0.235	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	11	179.1	61.9	-11.4	0	0	0	113.3	P369 L374 L375	P369-N371 WeakPolarHBondContact CB-OD1 3.48Å; P369-N371 PolarHBondContact O-N 3.27Å; N371-L374 PolarHBondContact O-N 3.38Å; N371-L375 HydrophobicContact CB-CB 4.09Å; N371-L375 HydrophobicContact CB-CD1 4.22Å; N371-L375 WeakPolarHBondContact ND2-CB 3.47Å; N371-L375 PolarHBondContact O-N 3.43Å
372	Y	85	Confident	87.2	Confident	40 Å²	40	42.7 Å²	42.7	16%	0.157	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	142.7	166.5	176.2	-93	0	0	0	110	L368 P369 P378 F407 P411 V412	L368-Y372 HydrophobicContact CD2-CD1 4.24Å; L368-Y372 HydrophobicContact CD2-CE1 4.28Å; L368-Y372 HydrophobicContact CD2-CG 4.42Å; P369-Y372 VanDerWaalsContact O-CB 3.22Å; P369-Y372 WeakPolarHBondContact O-CB 3.3Å; P369-Y372 PolarHBondContact O-N 2.92Å; Y372-P378 HydrophobicContact CD2-CB 4.43Å; Y372-P378 HydrophobicContact CE2-CB 4.28Å; Y372-P378 HydrophobicContact CE2-CG 4Å; Y372-F407 HydrophobicContact CD2-CE2 4.43Å; Y372-F407 HydrophobicContact CE2-CE2 4.44Å; Y372-P411 WeakPolarHBondContact OH-CA 3.3Å; Y372-V412 PolarHBondContact OH-N 3.11Å
373	P	83.3	Confident	87.4	Confident	29 Å²	29	43.6 Å²	43.6	19%	0.188	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.6	-1	-3	36.2	-38.3	0	0	0	114.2	F407 Q409 P411	P373-F407 VanDerWaalsContact O-CE2 3.31Å; P373-F407 WeakPolarHBondContact O-CE2 3.5Å; P373-F407 WeakPolarHBondContact O-CZ 3.37Å; P373-Q409 CarbonylContact O-C 3.58Å; P373-Q409 WeakPolarHBondContact O-CA 3.49Å; P373-P411 HydrophobicContact CB-CG 4.25Å; P373-P411 HydrophobicContact CG-CG 3.95Å
374	L	82	Confident	87.3	Confident	119 Å²	119	41.4 Å²	41.4	62%	0.623	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-38.3	-163.5	-60.6	175	0	0	0	114.7	N371 Q409	N371-L374 PolarHBondContact O-N 3.38Å; L374-Q409 WeakPolarHBondContact O-CB 3.32Å; L374-Q409 VanDerWaalsContact O-CG 3.3Å; L374-Q409 WeakPolarHBondContact O-CG 3.04Å
375	L	83.8	Confident	86.9	Confident	127 Å²	127	49.8 Å²	49.8	67%	0.665	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.3	-34.9	-170.6	-69.4	176.6	0	0	0	114.7	N371	N371-L375 HydrophobicContact CB-CB 4.09Å; N371-L375 HydrophobicContact CB-CD1 4.22Å; N371-L375 WeakPolarHBondContact ND2-CB 3.47Å; N371-L375 PolarHBondContact O-N 3.43Å
376	R	86	Confident	86.7	Confident	157 Å²	157	54 Å²	54	59%	0.592	28%	0.275	S	S	*	.	S	Bend	trans	-126.6	140.6	-176.8	-69.2	-177.5	-170.6	169.9	2.6	111.7	P369 F407	P369-R376 HydrophobicContact CB-CB 4.41Å; P369-R376 HydrophobicContact CG-CB 3.79Å; R376-F407 WeakPolarHBondContact O-CZ 3.21Å
377	P	90	Very high	86.4	Confident	58 Å²	58	55 Å²	55	38%	0.377	28%	0.28	S	S	.	.			trans	-69	161.9	173.7	29.7	-34.5	0	0	0	111.4	I403 F407	P377-I403 HydrophobicContact CB-CG2 3.88Å; P377-F407 HydrophobicContact CB-CB 4.14Å; P377-F407 HydrophobicContact CB-CD1 3.86Å; P377-F407 HydrophobicContact CB-CD2 3.92Å; P377-F407 HydrophobicContact CB-CE1 4.21Å; P377-F407 HydrophobicContact CB-CE2 4.28Å; P377-F407 HydrophobicContact CB-CG 3.69Å; P377-F407 HydrophobicContact CB-CZ 4.41Å; P377-F407 HydrophobicContact CG-CD1 4.34Å
378	P	91.4	Very high	86.3	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.032	29%	0.294	C	S	.	.			trans	-72.4	144.7	172.5	32.1	-31.2	0	0	0	110.2	V366 L368 Y372 M380 I403 V412 L413	V366-P378 HydrophobicContact CG1-CB 4.22Å; L368-P378 HydrophobicContact CD2-CB 3.77Å; Y372-P378 HydrophobicContact CD2-CB 4.43Å; Y372-P378 HydrophobicContact CE2-CB 4.28Å; Y372-P378 HydrophobicContact CE2-CG 4Å; P378-M380 HydrophobicContact CB-CG 4.34Å; P378-M380 HydrophobicContact CG-CG 4.4Å; P378-M380 HydrophobicContact CG-SD 4.3Å; P378-I403 HydrophobicContact CG-CG2 4.44Å; P378-V412 HydrophobicContact CG-CG2 4.12Å; P378-L413 HydrophobicContact CB-CD2 3.87Å; P378-L413 HydrophobicContact CG-CD2 3.86Å
379	S	89	Confident	86	Confident	47 Å²	47	57.4 Å²	57.4	33%	0.329	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.4	171.4	167.3	0	0	0	0	108.4	V366 E367	V366-S379 WeakPolarHBondContact CA-O 3.22Å; E367-S379 PolarHBondContact N-O 2.71Å; E367-S379 PolarHBondContact O-N 3.03Å
380	M	92.2	Very high	86	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.03	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.3	-178.4	-51.6	179.1	58	0	0	111.2	V364 Q365 V366 P378 L399 I403 L413 I416 L417	V364-M380 HydrophobicContact CG1-CE 3.77Å; Q365-M380 CarbonylContact O-C 3.18Å; Q365-M380 VanDerWaalsContact O-CA 3.27Å; Q365-M380 WeakPolarHBondContact O-CA 3.49Å; V366-M380 HydrophobicContact CG1-CG 4.25Å; V366-M380 HydrophobicContact CG2-CE 3.85Å; V366-M380 HydrophobicContact CG2-CG 4Å; V366-M380 HydrophobicContact CG2-SD 4.47Å; P378-M380 HydrophobicContact CB-CG 4.34Å; P378-M380 HydrophobicContact CG-CG 4.4Å; P378-M380 HydrophobicContact CG-SD 4.3Å; M380-L399 HydrophobicContact CB-CD2 4.06Å; M380-L399 HydrophobicContact CB-CG 4.48Å; M380-I403 HydrophobicContact CB-CD1 3.62Å; M380-I403 HydrophobicContact CG-CD1 3.66Å; M380-I403 HydrophobicContact SD-CD1 3.69Å; M380-I403 HydrophobicContact SD-CG1 4.11Å; M380-L413 HydrophobicContact SD-CD2 4.2Å; M380-I416 HydrophobicContact CE-CB 4.13Å; M380-I416 HydrophobicContact CE-CG2 3.56Å; M380-I416 HydrophobicContact SD-CB 3.94Å; M380-I416 HydrophobicContact SD-CG1 4.4Å; M380-I416 HydrophobicContact SD-CG2 3.48Å; M380-I416 WeakPolarHBondContact SD-CG2 3.49Å; M380-L417 HydrophobicContact CE-CD2 4.03Å; M380-L417 HydrophobicContact CE-CG 4.29Å
381	F	90.9	Very high	86.3	Confident	10 Å²	10	59.5 Å²	59.5	4%	0.044	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	124.4	175.3	-173	-93.7	0	0	0	110.7	V364 Q365 R383 V392 N396 R509	V364-F381 WeakPolarHBondContact CA-O 3.41Å; Q365-F381 PolarHBondContact N-O 2.89Å; Q365-F381 PolarHBondContact O-N 2.96Å; F381-R383 HydrophobicContact CD1-CG 3.89Å; F381-R383 HydrophobicContact CE1-CG 3.63Å; F381-V392 HydrophobicContact CZ-CG1 4.19Å; F381-N396 VanDerWaalsContact CA-OD1 3.25Å; F381-N396 WeakPolarHBondContact CA-OD1 3.46Å; F381-N396 HydrophobicContact CD2-CB 4.26Å; F381-N396 VanDerWaalsContact CD2-OD1 3.22Å; F381-N396 WeakPolarHBondContact CD2-OD1 3.38Å; F381-N396 HydrophobicContact CE2-CB 4.22Å; F381-R509 HydrophobicContact CD1-CG 4.15Å; F381-R509 HydrophobicContact CD2-CG 4.34Å; F381-R509 HydrophobicContact CE1-CG 4.17Å; F381-R509 HydrophobicContact CE2-CG 4.36Å; F381-R509 HydrophobicContact CG-CG 4.24Å; F381-R509 HydrophobicContact CZ-CB 4.49Å; F381-R509 HydrophobicContact CZ-CG 4.28Å
382	A	91.5	Very high	86.6	Confident	1 Å²	1	58 Å²	58	1%	0.008	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.3	179	0	0	0	0	0	110.9	M362 E363 V364 L395 N396 L399 L420	M362-A382 HydrophobicContact CG-CB 4.43Å; M362-A382 HydrophobicContact SD-CB 4.07Å; E363-A382 CarbonylContact O-C 3.56Å; E363-A382 WeakPolarHBondContact O-CA 3.44Å; V364-A382 HydrophobicContact CG2-CB 4.42Å; A382-L395 HydrophobicContact CB-CD2 4.06Å; A382-N396 PolarHBondContact N-OD1 3.09Å; A382-N396 PolarHBondContact O-ND2 3.43Å; A382-L399 HydrophobicContact CB-CD2 4.19Å; A382-L420 HydrophobicContact CB-CD2 4.07Å
383	R	88.8	Confident	86.7	Confident	19 Å²	19	58.9 Å²	58.9	7%	0.072	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.3	171.4	-69.2	-178.2	-174.2	147.5	1.3	109.4	M362 E363 F381 R509 W511 W513	M362-R383 CarbonylContact C-O 3.46Å; M362-R383 WeakPolarHBondContact CA-O 3.37Å; M362-R383 WeakPolarHBondContact CG-O 3.06Å; E363-R383 HydrophobicContact CB-CB 4.39Å; E363-R383 PolarHBondContact N-O 3.33Å; E363-R383 PolarHBondContact O-N 3.46Å; E363-R383 IonicContact OE2-NH1 3.56Å; E363-R383 PolarHBondContact OE2-NH1 2.94Å; F381-R383 HydrophobicContact CD1-CG 3.89Å; F381-R383 HydrophobicContact CE1-CG 3.63Å; R383-R509 PolarHBondContact NE-O 3.04Å; R383-R509 PolarHBondContact NH2-O 3.28Å; R383-R509 VanDerWaalsContact NH2-O 3.17Å; R383-W511 PolarHBondContact NE-O 3.43Å; R383-W513 PolarHBondContact NH1-O 3.17Å
384	C	86.7	Confident	86.9	Confident	12 Å²	12	61.9 Å²	61.9	8%	0.081	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	124.8	175.3	-175.3	0	0	0	0	108.8	E361 M362 T386 L387	E361-C384 PolarHBondContact O-SG 3.08Å; M362-C384 HydrophobicContact CB-CB 4.49Å; M362-C384 HydrophobicContact CE-CB 4.09Å; M362-C384 HydrophobicContact CG-CB 4.36Å; C384-T386 PolarHBondContact O-N 3.2Å; C384-T386 PolarHBondContact SG-OG1 3.49Å; C384-L387 HydrophobicContact CB-CB 4.37Å; C384-L387 HydrophobicContact CB-CD1 3.7Å; C384-L387 HydrophobicContact CB-CG 3.74Å; C384-L387 PolarHBondContact O-N 3.37Å
385	K	83.1	Confident	87.4	Confident	175 Å²	175	56.3 Å²	56.3	76%	0.761	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.6	-173.1	-67.2	175.1	-177.2	162.9	0	113	E361 L387	E361-K385 IonicContact OE2-NZ 3.06Å; K385-L387 VanDerWaalsContact C-N 3.33Å
386	T	84.5	Confident	87.8	Confident	90 Å²	90	50.3 Å²	50.3	55%	0.552	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-9.5	-178.4	58.3	0	0	0	0	113.1	L359 C384	L359-T386 WeakPolarHBondContact O-CB 3.46Å; L359-T386 VanDerWaalsContact O-CG2 3.26Å; L359-T386 WeakPolarHBondContact O-CG2 3.29Å; L359-T386 PolarHBondContact O-OG1 2.85Å; C384-T386 PolarHBondContact O-N 3.2Å; C384-T386 PolarHBondContact SG-OG1 3.49Å
387	L	85.5	Confident	88	Confident	21 Å²	21	45 Å²	45	11%	0.11	25%	0.254	C	S	.	.	S	Bend	trans	-93.7	141.6	-177.6	-61.6	-174.2	0	0	0	112	L359 C384 K385 Q391 V392 L395 L428	L359-L387 HydrophobicContact CD2-CD2 3.93Å; C384-L387 HydrophobicContact CB-CB 4.37Å; C384-L387 HydrophobicContact CB-CD1 3.7Å; C384-L387 HydrophobicContact CB-CG 3.74Å; C384-L387 PolarHBondContact O-N 3.37Å; K385-L387 VanDerWaalsContact C-N 3.33Å; L387-Q391 HydrophobicContact CB-CB 4.08Å; L387-Q391 HydrophobicContact CD2-CB 4.27Å; L387-V392 HydrophobicContact CB-CG2 3.58Å; L387-V392 HydrophobicContact CD1-CG2 4.29Å; L387-L395 HydrophobicContact CD1-CD2 3.92Å; L387-L428 HydrophobicContact CD1-CD1 3.95Å; L387-L428 HydrophobicContact CD1-CD2 4.5Å; L387-L428 HydrophobicContact CD2-CD1 3.42Å; L387-L428 VanDerWaalsContact CD2-CD1 3.42Å; L387-L428 HydrophobicContact CD2-CD2 4.4Å; L387-L428 HydrophobicContact CG-CD1 4.35Å
388	T	84.3	Confident	88.2	Confident	80 Å²	80	43.1 Å²	43.1	49%	0.491	24%	0.243	S	C	.	.			trans	-70.4	158.3	167.9	63.4	0	0	0	0	111.2	N390 Q391 V392	T388-N390 PolarHBondContact O-N 2.98Å; T388-N390 VanDerWaalsContact O-N 3.14Å; T388-Q391 WeakPolarHBondContact O-CB 3.42Å; T388-Q391 PolarHBondContact O-N 2.92Å; T388-Q391 VanDerWaalsContact OG1-CG 3.3Å; T388-Q391 WeakPolarHBondContact OG1-CG 3.49Å; T388-Q391 PolarHBondContact OG1-N 3.33Å; T388-Q391 PolarHBondContact OG1-OE1 3.47Å; T388-V392 WeakPolarHBondContact O-CG2 3.3Å; T388-V392 PolarHBondContact O-N 3.32Å
389	G	81.3	Confident	88.3	Confident	37 Å²	37	42.9 Å²	42.9	38%	0.381	24%	0.241	S	C	.	.	H	α-helix	trans	-55.5	-33.9	179.1	0	0	0	0	0	114.3	S393	G389-S393 WeakPolarHBondContact O-CB 3.12Å; G389-S393 PolarHBondContact O-N 2.92Å
390	N	83.4	Confident	88.4	Confident	105 Å²	105	45.3 Å²	45.3	56%	0.561	24%	0.243	S	C	*	.	H	α-helix	trans	-70.6	-40.9	176.2	-69.1	-8.8	0	0	0	111.9	T388 S393 F394	T388-N390 PolarHBondContact O-N 2.98Å; T388-N390 VanDerWaalsContact O-N 3.14Å; N390-S393 PolarHBondContact O-N 2.95Å; N390-F394 PolarHBondContact O-N 3.43Å
391	Q	87.7	Confident	88.4	Confident	68 Å²	68	51.1 Å²	51.1	32%	0.318	27%	0.27	S	S	.	.	H	α-helix	trans	-64.9	-42.1	175.5	-75.2	170.2	-44.2	0	0	111.8	L387 T388 S393 F394 L395 L428	L387-Q391 HydrophobicContact CB-CB 4.08Å; L387-Q391 HydrophobicContact CD2-CB 4.27Å; T388-Q391 WeakPolarHBondContact O-CB 3.42Å; T388-Q391 PolarHBondContact O-N 2.92Å; T388-Q391 VanDerWaalsContact OG1-CG 3.3Å; T388-Q391 WeakPolarHBondContact OG1-CG 3.49Å; T388-Q391 PolarHBondContact OG1-N 3.33Å; T388-Q391 PolarHBondContact OG1-OE1 3.47Å; Q391-S393 VanDerWaalsContact C-N 3.34Å; Q391-S393 PolarHBondContact O-N 3.46Å; Q391-F394 PolarHBondContact O-N 3.46Å; Q391-L395 WeakPolarHBondContact O-CB 3.47Å; Q391-L395 PolarHBondContact O-N 3.36Å; Q391-L428 HydrophobicContact CB-CD2 3.66Å; Q391-L428 HydrophobicContact CG-CD2 3.95Å
392	V	88.4	Confident	88.6	Confident	13 Å²	13	52.1 Å²	52.1	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-44.1	174.6	174.5	0	0	0	0	110.8	F381 L387 T388 L395 N396	F381-V392 HydrophobicContact CZ-CG1 4.19Å; L387-V392 HydrophobicContact CB-CG2 3.58Å; L387-V392 HydrophobicContact CD1-CG2 4.29Å; T388-V392 WeakPolarHBondContact O-CG2 3.3Å; T388-V392 PolarHBondContact O-N 3.32Å; V392-L395 PolarHBondContact O-N 3.15Å; V392-N396 WeakPolarHBondContact CG1-ND2 3.37Å; V392-N396 WeakPolarHBondContact O-CB 3.35Å; V392-N396 PolarHBondContact O-N 3.46Å; V392-N396 PolarHBondContact O-ND2 2.81Å
393	S	86.1	Confident	88.6	Confident	57 Å²	57	52.5 Å²	52.5	40%	0.399	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-48.8	176.6	177.5	0	0	0	0	111.5	G389 N390 Q391 L395 N396 T397	G389-S393 WeakPolarHBondContact O-CB 3.12Å; G389-S393 PolarHBondContact O-N 2.92Å; N390-S393 PolarHBondContact O-N 2.95Å; Q391-S393 VanDerWaalsContact C-N 3.34Å; Q391-S393 PolarHBondContact O-N 3.46Å; S393-L395 PolarHBondContact O-N 3.05Å; S393-N396 PolarHBondContact O-N 3.3Å; S393-T397 PolarHBondContact O-N 2.77Å; S393-T397 PolarHBondContact O-OG1 3.46Å
394	F	88.8	Confident	88.7	Confident	93 Å²	93	55.2 Å²	55.2	41%	0.408	30%	0.303	S	S	.	.	H	α-helix	trans	-61	-46.3	179.1	-170.1	-96.5	0	0	0	112.4	N390 Q391 N396 T397 A398 I427 A431	N390-F394 PolarHBondContact O-N 3.43Å; Q391-F394 PolarHBondContact O-N 3.46Å; F394-N396 VanDerWaalsContact C-N 3.34Å; F394-N396 PolarHBondContact O-N 2.97Å; F394-T397 PolarHBondContact O-N 3.29Å; F394-A398 PolarHBondContact O-N 3.09Å; F394-I427 HydrophobicContact CD1-CG2 3.59Å; F394-I427 HydrophobicContact CE1-CG2 3.5Å; F394-I427 WeakPolarHBondContact CE1-O 3.31Å; F394-A431 HydrophobicContact CD1-CB 3.62Å; F394-A431 HydrophobicContact CD2-CB 4.41Å; F394-A431 HydrophobicContact CE1-CB 3.61Å; F394-A431 HydrophobicContact CE2-CB 4.41Å; F394-A431 HydrophobicContact CG-CB 4.04Å; F394-A431 HydrophobicContact CZ-CB 4.03Å
395	L	91.2	Very high	88.9	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-58.3	-46	176.3	-179	66.9	0	0	0	111.7	M362 A382 L387 Q391 V392 S393 T397 A398 L399 L420 A424 I427	M362-L395 HydrophobicContact CE-CD2 3.67Å; M362-L395 HydrophobicContact SD-CD2 4.3Å; A382-L395 HydrophobicContact CB-CD2 4.06Å; L387-L395 HydrophobicContact CD1-CD2 3.92Å; Q391-L395 WeakPolarHBondContact O-CB 3.47Å; Q391-L395 PolarHBondContact O-N 3.36Å; V392-L395 PolarHBondContact O-N 3.15Å; S393-L395 PolarHBondContact O-N 3.05Å; L395-T397 VanDerWaalsContact C-N 3.34Å; L395-T397 PolarHBondContact O-N 2.82Å; L395-A398 PolarHBondContact O-N 2.91Å; L395-L399 VanDerWaalsContact O-CB 3.31Å; L395-L399 WeakPolarHBondContact O-CB 3.2Å; L395-L399 PolarHBondContact O-N 3.44Å; L395-L420 HydrophobicContact CD1-CD1 3.81Å; L395-L420 HydrophobicContact CG-CD1 4.26Å; L395-A424 HydrophobicContact CD1-CB 3.97Å; L395-I427 HydrophobicContact CD1-CD1 4.34Å; L395-I427 HydrophobicContact CD1-CG2 4.33Å
396	N	93.1	Very high	89.1	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-70.5	-29.6	-179.8	-81.2	-75.1	0	0	0	113	F381 A382 V392 S393 F394 R400	F381-N396 VanDerWaalsContact CA-OD1 3.25Å; F381-N396 WeakPolarHBondContact CA-OD1 3.46Å; F381-N396 HydrophobicContact CD2-CB 4.26Å; F381-N396 VanDerWaalsContact CD2-OD1 3.22Å; F381-N396 WeakPolarHBondContact CD2-OD1 3.38Å; F381-N396 HydrophobicContact CE2-CB 4.22Å; A382-N396 PolarHBondContact N-OD1 3.09Å; A382-N396 PolarHBondContact O-ND2 3.43Å; V392-N396 WeakPolarHBondContact CG1-ND2 3.37Å; V392-N396 WeakPolarHBondContact O-CB 3.35Å; V392-N396 PolarHBondContact O-N 3.46Å; V392-N396 PolarHBondContact O-ND2 2.81Å; S393-N396 PolarHBondContact O-N 3.3Å; F394-N396 VanDerWaalsContact C-N 3.34Å; F394-N396 PolarHBondContact O-N 2.97Å; N396-R400 WeakPolarHBondContact O-CG 3.24Å; N396-R400 PolarHBondContact O-N 2.89Å; N396-R400 PolarHBondContact O-NH1 2.78Å
397	T	90.9	Very high	89.3	Confident	46 Å²	46	54.1 Å²	54.1	28%	0.282	29%	0.293	S	S	.	.	H	α-helix	trans	-65.5	-51.4	171.3	-61.9	0	0	0	0	110.7	S393 F394 L395 L399 R400 E401	S393-T397 PolarHBondContact O-N 2.77Å; S393-T397 PolarHBondContact O-OG1 3.46Å; F394-T397 PolarHBondContact O-N 3.29Å; L395-T397 VanDerWaalsContact C-N 3.34Å; L395-T397 PolarHBondContact O-N 2.82Å; T397-L399 VanDerWaalsContact C-N 3.26Å; T397-L399 PolarHBondContact O-N 2.98Å; T397-R400 PolarHBondContact O-N 3.45Å; T397-R400 VanDerWaalsContact O-N 3.13Å; T397-R400 PolarHBondContact OG1-NH2 3.37Å; T397-E401 WeakPolarHBondContact O-CG 3.46Å; T397-E401 PolarHBondContact O-N 2.94Å
398	A	92.8	Very high	89.3	Confident	18 Å²	18	57 Å²	57	15%	0.149	32%	0.315	C	S	.	.	H	α-helix	trans	-59.2	-38.4	175.7	0	0	0	0	0	112.1	F394 L395 E401 Q402 W419 I427	F394-A398 PolarHBondContact O-N 3.09Å; L395-A398 PolarHBondContact O-N 2.91Å; A398-E401 PolarHBondContact O-N 2.59Å; A398-Q402 WeakPolarHBondContact O-CB 3.45Å; A398-Q402 PolarHBondContact O-N 3.3Å; A398-W419 HydrophobicContact CB-CH2 4.1Å; A398-I427 HydrophobicContact CB-CD1 4.14Å; A398-I427 HydrophobicContact CB-CG2 4.02Å
399	L	93.6	Very high	89.3	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-45.9	174.9	177.7	60.3	0	0	0	112	M380 A382 L395 T397 E401 Q402 I403 I416 W419 L420	M380-L399 HydrophobicContact CB-CD2 4.06Å; M380-L399 HydrophobicContact CB-CG 4.48Å; A382-L399 HydrophobicContact CB-CD2 4.19Å; L395-L399 VanDerWaalsContact O-CB 3.31Å; L395-L399 WeakPolarHBondContact O-CB 3.2Å; L395-L399 PolarHBondContact O-N 3.44Å; T397-L399 VanDerWaalsContact C-N 3.26Å; T397-L399 PolarHBondContact O-N 2.98Å; L399-E401 PolarHBondContact O-N 2.95Å; L399-Q402 PolarHBondContact O-N 3.18Å; L399-I403 HydrophobicContact CD1-CD1 4.03Å; L399-I403 HydrophobicContact CD1-CG1 4.36Å; L399-I403 HydrophobicContact CG-CD1 3.94Å; L399-I403 WeakPolarHBondContact O-CD1 3.31Å; L399-I403 VanDerWaalsContact O-CG1 3.24Å; L399-I403 WeakPolarHBondContact O-CG1 3.14Å; L399-I403 PolarHBondContact O-N 2.95Å; L399-I416 HydrophobicContact CD1-CG2 3.4Å; L399-W419 HydrophobicContact CB-CZ3 4.31Å; L399-W419 HydrophobicContact CD1-CE3 4.38Å; L399-W419 HydrophobicContact CD1-CZ3 4.01Å; L399-L420 HydrophobicContact CD1-CD1 4.47Å
400	R	92.1	Very high	89.3	Confident	99 Å²	99	60.5 Å²	60.5	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-42.4	176.8	-75	-172.6	-58.3	-89.3	5.5	111.9	N396 T397 Q402 I403 A404	N396-R400 WeakPolarHBondContact O-CG 3.24Å; N396-R400 PolarHBondContact O-N 2.89Å; N396-R400 PolarHBondContact O-NH1 2.78Å; T397-R400 PolarHBondContact O-N 3.45Å; T397-R400 VanDerWaalsContact O-N 3.13Å; T397-R400 PolarHBondContact OG1-NH2 3.37Å; R400-Q402 VanDerWaalsContact C-N 3.34Å; R400-I403 PolarHBondContact O-N 3.43Å; R400-A404 WeakPolarHBondContact O-CB 3.41Å; R400-A404 PolarHBondContact O-N 2.83Å
401	E	92.8	Very high	89.4	Confident	128 Å²	128	60 Å²	60	60%	0.598	32%	0.324	S	S	*	.	H	α-helix	trans	-61.9	-42.9	176.3	-70.8	172.3	-175	0	0	111.6	T397 A398 L399 A404 K405	T397-E401 WeakPolarHBondContact O-CG 3.46Å; T397-E401 PolarHBondContact O-N 2.94Å; A398-E401 PolarHBondContact O-N 2.59Å; L399-E401 PolarHBondContact O-N 2.95Å; E401-A404 PolarHBondContact O-N 3.16Å; E401-K405 WeakPolarHBondContact O-CB 3.5Å; E401-K405 PolarHBondContact O-N 2.87Å
402	Q	93.5	Very high	89.4	Confident	31 Å²	31	56.9 Å²	56.9	15%	0.145	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-41.1	177.2	-176.8	68.6	-2.3	0	0	112.1	A398 L399 R400 A404 K405 V406 I416 W419	A398-Q402 WeakPolarHBondContact O-CB 3.45Å; A398-Q402 PolarHBondContact O-N 3.3Å; L399-Q402 PolarHBondContact O-N 3.18Å; R400-Q402 VanDerWaalsContact C-N 3.34Å; Q402-A404 VanDerWaalsContact C-N 3.35Å; Q402-K405 PolarHBondContact O-N 3.5Å; Q402-V406 HydrophobicContact CG-CG2 4.23Å; Q402-V406 WeakPolarHBondContact O-CG2 3.43Å; Q402-V406 PolarHBondContact O-N 3.34Å; Q402-I416 HydrophobicContact CG-CD1 3.83Å; Q402-W419 HydrophobicContact CB-CD2 4.08Å; Q402-W419 HydrophobicContact CB-CE3 4.08Å; Q402-W419 HydrophobicContact CB-CH2 3.84Å; Q402-W419 HydrophobicContact CB-CZ2 3.83Å; Q402-W419 HydrophobicContact CB-CZ3 3.98Å; Q402-W419 HydrophobicContact CG-CD2 3.5Å; Q402-W419 HydrophobicContact CG-CE3 3.84Å; Q402-W419 HydrophobicContact CG-CG 3.81Å; Q402-W419 HydrophobicContact CG-CH2 4.35Å; Q402-W419 HydrophobicContact CG-CZ2 4.06Å; Q402-W419 HydrophobicContact CG-CZ3 4.26Å
403	I	92.6	Very high	89.4	Confident	9 Å²	9	57.7 Å²	57.7	5%	0.046	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-47	175.3	-68.4	161.2	0	0	0	110.2	P377 P378 M380 L399 R400 K405 V406 F407 I416	P377-I403 HydrophobicContact CB-CG2 3.88Å; P378-I403 HydrophobicContact CG-CG2 4.44Å; M380-I403 HydrophobicContact CB-CD1 3.62Å; M380-I403 HydrophobicContact CG-CD1 3.66Å; M380-I403 HydrophobicContact SD-CD1 3.69Å; M380-I403 HydrophobicContact SD-CG1 4.11Å; L399-I403 HydrophobicContact CD1-CD1 4.03Å; L399-I403 HydrophobicContact CD1-CG1 4.36Å; L399-I403 HydrophobicContact CG-CD1 3.94Å; L399-I403 WeakPolarHBondContact O-CD1 3.31Å; L399-I403 VanDerWaalsContact O-CG1 3.24Å; L399-I403 WeakPolarHBondContact O-CG1 3.14Å; L399-I403 PolarHBondContact O-N 2.95Å; R400-I403 PolarHBondContact O-N 3.43Å; I403-K405 PolarHBondContact O-N 3.3Å; I403-V406 PolarHBondContact O-N 2.85Å; I403-F407 WeakPolarHBondContact O-CB 3.18Å; I403-F407 PolarHBondContact O-N 2.81Å; I403-I416 HydrophobicContact CB-CD1 4.43Å; I403-I416 HydrophobicContact CD1-CG2 4.35Å; I403-I416 HydrophobicContact CG1-CD1 3.84Å; I403-I416 HydrophobicContact CG1-CG1 3.97Å; I403-I416 HydrophobicContact CG1-CG2 3.88Å
404	A	90.7	Very high	89.3	Confident	75 Å²	75	59 Å²	59	62%	0.62	31%	0.311	S	S	*	.	H	α-helix	trans	-61.2	-35.3	177.8	0	0	0	0	0	112.4	R400 E401 Q402	R400-A404 WeakPolarHBondContact O-CB 3.41Å; R400-A404 PolarHBondContact O-N 2.83Å; E401-A404 PolarHBondContact O-N 3.16Å; Q402-A404 VanDerWaalsContact C-N 3.35Å
405	K	90	Very high	89.1	Confident	169 Å²	169	58.5 Å²	58.5	74%	0.735	31%	0.313	S	S	*	.	H	α-helix	trans	-72.8	-42.1	178.9	-179.8	-178.5	176.3	-177.2	0	113.5	E401 Q402 I403	E401-K405 WeakPolarHBondContact O-CB 3.5Å; E401-K405 PolarHBondContact O-N 2.87Å; Q402-K405 PolarHBondContact O-N 3.5Å; I403-K405 PolarHBondContact O-N 3.3Å
406	V	88	Confident	89.1	Confident	44 Å²	44	58.5 Å²	58.5	27%	0.267	31%	0.312	S	S	.	.	H	α-helix	trans	-87.5	-26.7	-173.7	177.9	0	0	0	0	111.8	Q402 I403 S408 V412 D415 I416	Q402-V406 HydrophobicContact CG-CG2 4.23Å; Q402-V406 WeakPolarHBondContact O-CG2 3.43Å; Q402-V406 PolarHBondContact O-N 3.34Å; I403-V406 PolarHBondContact O-N 2.85Å; V406-S408 PolarHBondContact O-N 3Å; V406-S408 VanDerWaalsContact O-N 3.08Å; V406-V412 HydrophobicContact CG1-CB 4.27Å; V406-V412 HydrophobicContact CG1-CG1 3.92Å; V406-D415 HydrophobicContact CG1-CB 4.32Å; V406-I416 HydrophobicContact CB-CD1 4.08Å; V406-I416 HydrophobicContact CG1-CD1 4.49Å; V406-I416 HydrophobicContact CG2-CD1 4.25Å
407	F	87.6	Confident	88.9	Confident	41 Å²	41	59 Å²	59	18%	0.18	32%	0.315	C	S	.	.			trans	-63.7	112.6	-177.6	-178.8	-108.7	0	0	0	112.3	Y372 P373 R376 P377 I403 Q409 V412	Y372-F407 HydrophobicContact CD2-CE2 4.43Å; Y372-F407 HydrophobicContact CE2-CE2 4.44Å; P373-F407 VanDerWaalsContact O-CE2 3.31Å; P373-F407 WeakPolarHBondContact O-CE2 3.5Å; P373-F407 WeakPolarHBondContact O-CZ 3.37Å; R376-F407 WeakPolarHBondContact O-CZ 3.21Å; P377-F407 HydrophobicContact CB-CB 4.14Å; P377-F407 HydrophobicContact CB-CD1 3.86Å; P377-F407 HydrophobicContact CB-CD2 3.92Å; P377-F407 HydrophobicContact CB-CE1 4.21Å; P377-F407 HydrophobicContact CB-CE2 4.28Å; P377-F407 HydrophobicContact CB-CG 3.69Å; P377-F407 HydrophobicContact CB-CZ 4.41Å; P377-F407 HydrophobicContact CG-CD1 4.34Å; I403-F407 WeakPolarHBondContact O-CB 3.18Å; I403-F407 PolarHBondContact O-N 2.81Å; F407-Q409 HydrophobicContact CE1-CG 4.48Å; F407-V412 HydrophobicContact CD2-CG2 4.27Å
408	S	86.1	Confident	88.6	Confident	82 Å²	82	58.2 Å²	58.2	57%	0.573	31%	0.309	S	S	*	.	S	Bend	trans	-125.4	40.1	-180	70.4	0	0	0	0	112.2	V406 C410	V406-S408 PolarHBondContact O-N 3Å; V406-S408 VanDerWaalsContact O-N 3.08Å; S408-C410 PolarHBondContact O-N 3.31Å
409	Q	84.3	Confident	88.4	Confident	126 Å²	126	59.2 Å²	59.2	59%	0.589	31%	0.309	S	S	*	.	S	Bend	trans	58.9	26	-174.6	-54.7	176.1	10.4	0	0	114.1	P373 L374 F407	P373-Q409 CarbonylContact O-C 3.58Å; P373-Q409 WeakPolarHBondContact O-CA 3.49Å; L374-Q409 WeakPolarHBondContact O-CB 3.32Å; L374-Q409 VanDerWaalsContact O-CG 3.3Å; L374-Q409 WeakPolarHBondContact O-CG 3.04Å; F407-Q409 HydrophobicContact CE1-CG 4.48Å
410	C	81.8	Confident	88.2	Confident	65 Å²	65	59.2 Å²	59.2	44%	0.439	31%	0.309	S	S	.	.	S	Bend	trans	-127.2	161.5	179.5	-70.5	0	0	0	0	109.6	S408 V412	S408-C410 PolarHBondContact O-N 3.31Å; C410-V412 WeakPolarHBondContact O-CG1 3.23Å; C410-V412 PolarHBondContact O-N 2.93Å
411	P	85.7	Confident	87.8	Confident	93 Å²	93	55.1 Å²	55.1	60%	0.604	29%	0.294	S	S	*	.			trans	-63.5	123.9	176	-20.6	31.8	0	0	0	111.8	Y372 P373	Y372-P411 WeakPolarHBondContact OH-CA 3.3Å; P373-P411 HydrophobicContact CB-CG 4.25Å; P373-P411 HydrophobicContact CG-CG 3.95Å
412	V	86.7	Confident	87.4	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.024	29%	0.291	C	S	.	.			trans	-121.4	-2.4	-174.4	-65.6	0	0	0	0	114.8	Y372 P378 V406 F407 C410 Y414 D415 I416	Y372-V412 PolarHBondContact OH-N 3.11Å; P378-V412 HydrophobicContact CG-CG2 4.12Å; V406-V412 HydrophobicContact CG1-CB 4.27Å; V406-V412 HydrophobicContact CG1-CG1 3.92Å; F407-V412 HydrophobicContact CD2-CG2 4.27Å; C410-V412 WeakPolarHBondContact O-CG1 3.23Å; C410-V412 PolarHBondContact O-N 2.93Å; V412-Y414 VanDerWaalsContact C-N 3.27Å; V412-Y414 PolarHBondContact O-N 2.84Å; V412-D415 PolarHBondContact O-N 3.33Å; V412-D415 VanDerWaalsContact O-N 3.12Å; V412-I416 HydrophobicContact CB-CG1 4.35Å; V412-I416 HydrophobicContact CG2-CG1 4.3Å; V412-I416 WeakPolarHBondContact O-CG1 3.31Å; V412-I416 PolarHBondContact O-N 2.82Å
413	L	88.8	Confident	87.1	Confident	29 Å²	29	54.9 Å²	54.9	15%	0.152	29%	0.294	C	S	.	.	H	α-helix	trans	-53	-44.4	-173.3	-64.8	179.4	0	0	0	113.1	V366 L368 P378 M380 I416 L417	V366-L413 HydrophobicContact CG1-CD1 4.49Å; V366-L413 HydrophobicContact CG1-CD2 3.52Å; L368-L413 HydrophobicContact CD1-CD1 4.28Å; L368-L413 HydrophobicContact CD2-CD1 4.01Å; L368-L413 HydrophobicContact CD2-CD2 4.02Å; L368-L413 HydrophobicContact CD2-CG 4.41Å; P378-L413 HydrophobicContact CB-CD2 3.87Å; P378-L413 HydrophobicContact CG-CD2 3.86Å; M380-L413 HydrophobicContact SD-CD2 4.2Å; L413-I416 PolarHBondContact O-N 3.48Å; L413-L417 WeakPolarHBondContact O-CB 3.12Å; L413-L417 VanDerWaalsContact O-CG 3.26Å; L413-L417 WeakPolarHBondContact O-CG 3.43Å; L413-L417 PolarHBondContact O-N 3.12Å
414	Y	83.7	Confident	86.8	Confident	85 Å²	85	54.4 Å²	54.4	33%	0.333	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-49.1	179.6	177.8	-98.6	0	0	0	112	V89 Q93 V412 I416 L417 L418	V89-Y414 HydrophobicContact CG1-CE2 4.2Å; Q93-Y414 WeakPolarHBondContact CG-OH 3.2Å; Q93-Y414 PolarHBondContact OE1-OH 3.31Å; V412-Y414 VanDerWaalsContact C-N 3.27Å; V412-Y414 PolarHBondContact O-N 2.84Å; Y414-I416 PolarHBondContact O-N 3.35Å; Y414-L417 PolarHBondContact O-N 3.08Å; Y414-L418 HydrophobicContact CE1-CD2 4.08Å; Y414-L418 WeakPolarHBondContact O-CB 3.27Å; Y414-L418 PolarHBondContact O-N 3.42Å
415	D	85.1	Confident	86.6	Confident	83 Å²	83	53.1 Å²	53.1	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-36.3	-178.9	-60.5	-51.6	0	0	0	111.5	V406 V412 W419	V406-D415 HydrophobicContact CG1-CB 4.32Å; V412-D415 PolarHBondContact O-N 3.33Å; V412-D415 VanDerWaalsContact O-N 3.12Å; D415-W419 WeakPolarHBondContact O-CB 3.48Å; D415-W419 PolarHBondContact O-N 2.93Å
416	I	90.9	Very high	86.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-73.1	-43.4	177.5	-59.1	-62.2	0	0	0	111.9	M380 L399 Q402 I403 V406 V412 L413 Y414 L418 W419 L420	M380-I416 HydrophobicContact CE-CB 4.13Å; M380-I416 HydrophobicContact CE-CG2 3.56Å; M380-I416 HydrophobicContact SD-CB 3.94Å; M380-I416 HydrophobicContact SD-CG1 4.4Å; M380-I416 HydrophobicContact SD-CG2 3.48Å; M380-I416 WeakPolarHBondContact SD-CG2 3.49Å; L399-I416 HydrophobicContact CD1-CG2 3.4Å; Q402-I416 HydrophobicContact CG-CD1 3.83Å; I403-I416 HydrophobicContact CB-CD1 4.43Å; I403-I416 HydrophobicContact CD1-CG2 4.35Å; I403-I416 HydrophobicContact CG1-CD1 3.84Å; I403-I416 HydrophobicContact CG1-CG1 3.97Å; I403-I416 HydrophobicContact CG1-CG2 3.88Å; V406-I416 HydrophobicContact CB-CD1 4.08Å; V406-I416 HydrophobicContact CG1-CD1 4.49Å; V406-I416 HydrophobicContact CG2-CD1 4.25Å; V412-I416 HydrophobicContact CB-CG1 4.35Å; V412-I416 HydrophobicContact CG2-CG1 4.3Å; V412-I416 WeakPolarHBondContact O-CG1 3.31Å; V412-I416 PolarHBondContact O-N 2.82Å; L413-I416 PolarHBondContact O-N 3.48Å; Y414-I416 PolarHBondContact O-N 3.35Å; I416-L418 VanDerWaalsContact C-N 3.35Å; I416-W419 PolarHBondContact O-N 3.48Å; I416-L420 VanDerWaalsContact O-CB 3.32Å; I416-L420 WeakPolarHBondContact O-CB 3.5Å; I416-L420 PolarHBondContact O-N 3.14Å
417	L	88.9	Confident	86.4	Confident	12 Å²	12	48.4 Å²	48.4	6%	0.063	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-41.3	177	-71.1	170.7	0	0	0	111.3	F351 L353 V364 M380 L413 Y414 L420 D421	F351-L417 HydrophobicContact CB-CD2 4.22Å; F351-L417 HydrophobicContact CD1-CD1 3.64Å; F351-L417 HydrophobicContact CD2-CD1 4.08Å; F351-L417 HydrophobicContact CD2-CD2 4.33Å; F351-L417 HydrophobicContact CE1-CD1 3.72Å; F351-L417 HydrophobicContact CE2-CD1 4.13Å; F351-L417 HydrophobicContact CG-CD1 3.84Å; F351-L417 HydrophobicContact CG-CD2 4.19Å; F351-L417 HydrophobicContact CZ-CD1 3.96Å; L353-L417 HydrophobicContact CD1-CD2 4.35Å; V364-L417 HydrophobicContact CB-CD2 4.1Å; V364-L417 HydrophobicContact CG1-CD2 4.02Å; V364-L417 HydrophobicContact CG2-CD2 4.17Å; M380-L417 HydrophobicContact CE-CD2 4.03Å; M380-L417 HydrophobicContact CE-CG 4.29Å; L413-L417 WeakPolarHBondContact O-CB 3.12Å; L413-L417 VanDerWaalsContact O-CG 3.26Å; L413-L417 WeakPolarHBondContact O-CG 3.43Å; L413-L417 PolarHBondContact O-N 3.12Å; Y414-L417 PolarHBondContact O-N 3.08Å; L417-L420 PolarHBondContact O-N 3.02Å; L417-D421 WeakPolarHBondContact O-CB 3.21Å; L417-D421 PolarHBondContact O-N 3.33Å
418	L	84.5	Confident	86.3	Confident	29 Å²	29	47 Å²	47	15%	0.152	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-45	174.4	-179	63.7	0	0	0	111.3	V89 Y414 I416 L420 D421 E422	V89-L418 HydrophobicContact CG1-CD1 4.49Å; Y414-L418 HydrophobicContact CE1-CD2 4.08Å; Y414-L418 WeakPolarHBondContact O-CB 3.27Å; Y414-L418 PolarHBondContact O-N 3.42Å; I416-L418 VanDerWaalsContact C-N 3.35Å; L418-L420 VanDerWaalsContact C-N 3.33Å; L418-L420 PolarHBondContact O-N 3.34Å; L418-D421 PolarHBondContact O-N 3Å; L418-E422 HydrophobicContact CD1-CG 4.36Å; L418-E422 WeakPolarHBondContact O-CG 3.43Å; L418-E422 PolarHBondContact O-N 3.24Å
419	W	89	Confident	86.3	Confident	40 Å²	40	47.5 Å²	47.5	15%	0.152	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-44.3	175.6	172.5	86.8	0	0	0	111.8	A398 L399 Q402 D415 I416 D421 E422 N423 I427	A398-W419 HydrophobicContact CB-CH2 4.1Å; L399-W419 HydrophobicContact CB-CZ3 4.31Å; L399-W419 HydrophobicContact CD1-CE3 4.38Å; L399-W419 HydrophobicContact CD1-CZ3 4.01Å; Q402-W419 HydrophobicContact CB-CD2 4.08Å; Q402-W419 HydrophobicContact CB-CE3 4.08Å; Q402-W419 HydrophobicContact CB-CH2 3.84Å; Q402-W419 HydrophobicContact CB-CZ2 3.83Å; Q402-W419 HydrophobicContact CB-CZ3 3.98Å; Q402-W419 HydrophobicContact CG-CD2 3.5Å; Q402-W419 HydrophobicContact CG-CE3 3.84Å; Q402-W419 HydrophobicContact CG-CG 3.81Å; Q402-W419 HydrophobicContact CG-CH2 4.35Å; Q402-W419 HydrophobicContact CG-CZ2 4.06Å; Q402-W419 HydrophobicContact CG-CZ3 4.26Å; D415-W419 WeakPolarHBondContact O-CB 3.48Å; D415-W419 PolarHBondContact O-N 2.93Å; I416-W419 PolarHBondContact O-N 3.48Å; W419-D421 VanDerWaalsContact C-N 3.33Å; W419-D421 PolarHBondContact O-N 3.32Å; W419-E422 PolarHBondContact O-N 3.15Å; W419-N423 HydrophobicContact CD2-CB 4.39Å; W419-N423 HydrophobicContact CZ2-CB 4.38Å; W419-N423 VanDerWaalsContact O-CB 3.25Å; W419-N423 WeakPolarHBondContact O-CB 3.18Å; W419-N423 PolarHBondContact O-N 3.09Å; W419-N423 PolarHBondContact O-ND2 2.96Å; W419-I427 HydrophobicContact CH2-CD1 3.37Å; W419-I427 HydrophobicContact CZ2-CD1 3.55Å; W419-I427 HydrophobicContact CZ3-CD1 4.16Å
420	L	89	Confident	86.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-44.6	-180	-175.9	65.8	0	0	0	110.4	L353 M362 V364 A382 L395 L399 I416 L417 L418 E422 N423 A424	L353-L420 HydrophobicContact CD1-CD2 4.19Å; M362-L420 HydrophobicContact SD-CD1 4.37Å; M362-L420 HydrophobicContact SD-CD2 3.8Å; M362-L420 HydrophobicContact SD-CG 4.01Å; V364-L420 HydrophobicContact CG1-CD2 4.49Å; V364-L420 HydrophobicContact CG2-CD2 3.51Å; A382-L420 HydrophobicContact CB-CD2 4.07Å; L395-L420 HydrophobicContact CD1-CD1 3.81Å; L395-L420 HydrophobicContact CG-CD1 4.26Å; L399-L420 HydrophobicContact CD1-CD1 4.47Å; I416-L420 VanDerWaalsContact O-CB 3.32Å; I416-L420 WeakPolarHBondContact O-CB 3.5Å; I416-L420 PolarHBondContact O-N 3.14Å; L417-L420 PolarHBondContact O-N 3.02Å; L418-L420 VanDerWaalsContact C-N 3.33Å; L418-L420 PolarHBondContact O-N 3.34Å; L420-E422 VanDerWaalsContact C-N 3.34Å; L420-E422 PolarHBondContact O-N 2.97Å; L420-N423 PolarHBondContact O-N 3.33Å; L420-A424 HydrophobicContact CD1-CB 4.35Å; L420-A424 WeakPolarHBondContact O-CB 3.42Å; L420-A424 PolarHBondContact O-N 2.96Å
421	D	83.6	Confident	86.1	Confident	12 Å²	12	43.1 Å²	43.1	6%	0.064	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-41.7	177	-171.8	43.3	0	0	0	112.7	S87 L417 L418 W419	S87-D421 WeakPolarHBondContact CB-OD1 3.45Å; S87-D421 WeakPolarHBondContact CB-OD2 3.24Å; S87-D421 PolarHBondContact OG-OD1 3.29Å; S87-D421 PolarHBondContact OG-OD2 3.43Å; L417-D421 WeakPolarHBondContact O-CB 3.21Å; L417-D421 PolarHBondContact O-N 3.33Å; L418-D421 PolarHBondContact O-N 3Å; W419-D421 VanDerWaalsContact C-N 3.33Å; W419-D421 PolarHBondContact O-N 3.32Å
422	E	84.2	Confident	85.6	Confident	114 Å²	114	42 Å²	42	53%	0.533	22%	0.217	S	C	.	.	H	α-helix	trans	-80.1	-30.5	-178.9	-69.3	-178.1	158.6	0	0	114.1	L418 W419 L420	L418-E422 HydrophobicContact CD1-CG 4.36Å; L418-E422 WeakPolarHBondContact O-CG 3.43Å; L418-E422 PolarHBondContact O-N 3.24Å; W419-E422 PolarHBondContact O-N 3.15Å; L420-E422 VanDerWaalsContact C-N 3.34Å; L420-E422 PolarHBondContact O-N 2.97Å
423	N	87.9	Confident	84.6	Confident	40 Å²	40	46.9 Å²	46.9	21%	0.214	25%	0.247	C	C	.	.	H	α-helix	trans	-111.5	-15.1	-168	-63.7	-92.7	0	0	0	113.8	W419 L420 Q425 L426 I427	W419-N423 HydrophobicContact CD2-CB 4.39Å; W419-N423 HydrophobicContact CZ2-CB 4.38Å; W419-N423 VanDerWaalsContact O-CB 3.25Å; W419-N423 WeakPolarHBondContact O-CB 3.18Å; W419-N423 PolarHBondContact O-N 3.09Å; W419-N423 PolarHBondContact O-ND2 2.96Å; L420-N423 PolarHBondContact O-N 3.33Å; N423-Q425 VanDerWaalsContact C-N 3.3Å; N423-Q425 PolarHBondContact O-N 3.32Å; N423-L426 PolarHBondContact O-N 3.36Å; N423-L426 VanDerWaalsContact O-N 3.09Å; N423-I427 HydrophobicContact CB-CD1 3.89Å; N423-I427 HydrophobicContact CB-CG1 4.29Å; N423-I427 WeakPolarHBondContact O-CB 3.47Å; N423-I427 WeakPolarHBondContact O-CD1 3.39Å; N423-I427 WeakPolarHBondContact O-CG1 3.35Å; N423-I427 PolarHBondContact O-N 3.29Å
424	A	87.1	Confident	83	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-53.6	-45.1	-175.9	0	0	0	0	0	112.8	V356 L359 M362 L395 L420 L428	V356-A424 HydrophobicContact CG1-CB 3.66Å; L359-A424 HydrophobicContact CD1-CB 3.88Å; M362-A424 HydrophobicContact CE-CB 4.1Å; L395-A424 HydrophobicContact CD1-CB 3.97Å; L420-A424 HydrophobicContact CD1-CB 4.35Å; L420-A424 WeakPolarHBondContact O-CB 3.42Å; L420-A424 PolarHBondContact O-N 2.96Å; A424-L428 VanDerWaalsContact O-CG 3.27Å; A424-L428 WeakPolarHBondContact O-CG 3.29Å; A424-L428 PolarHBondContact O-N 2.85Å
425	Q	86	Confident	81.5	Confident	48 Å²	48	50.3 Å²	50.3	22%	0.224	28%	0.276	C	S	.	.	H	α-helix	trans	-67.8	-43.3	178.6	-170.2	178.6	-23.3	0	0	112.1	L359 N423 I427 L428 E429	L359-Q425 HydrophobicContact CD1-CB 4.48Å; N423-Q425 VanDerWaalsContact C-N 3.3Å; N423-Q425 PolarHBondContact O-N 3.32Å; Q425-I427 VanDerWaalsContact C-N 3.33Å; Q425-I427 PolarHBondContact O-N 3.42Å; Q425-L428 PolarHBondContact O-N 3.39Å; Q425-E429 HydrophobicContact CG-CG 4.46Å; Q425-E429 WeakPolarHBondContact CG-OE1 3.4Å; Q425-E429 PolarHBondContact NE2-OE1 2.94Å; Q425-E429 WeakPolarHBondContact O-CG 3.49Å; Q425-E429 PolarHBondContact O-N 3.02Å
426	L	86.5	Confident	79.4	Confident	95 Å²	95	52 Å²	52	50%	0.497	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-40.4	178	178.5	65	0	0	0	112	N423 L428 E429 T430	N423-L426 PolarHBondContact O-N 3.36Å; N423-L426 VanDerWaalsContact O-N 3.09Å; L426-L428 VanDerWaalsContact C-N 3.3Å; L426-L428 PolarHBondContact O-N 3.34Å; L426-E429 PolarHBondContact O-N 2.86Å; L426-T430 WeakPolarHBondContact O-CB 3.19Å; L426-T430 PolarHBondContact O-N 2.8Å; L426-T430 PolarHBondContact O-OG1 2.79Å
427	I	86.6	Confident	77.3	Confident	19 Å²	19	58 Å²	58	10%	0.097	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-44.5	176.7	-70.9	163.6	0	0	0	109.8	F394 L395 A398 W419 N423 Q425 T430 A431	F394-I427 HydrophobicContact CD1-CG2 3.59Å; F394-I427 HydrophobicContact CE1-CG2 3.5Å; F394-I427 WeakPolarHBondContact CE1-O 3.31Å; L395-I427 HydrophobicContact CD1-CD1 4.34Å; L395-I427 HydrophobicContact CD1-CG2 4.33Å; A398-I427 HydrophobicContact CB-CD1 4.14Å; A398-I427 HydrophobicContact CB-CG2 4.02Å; W419-I427 HydrophobicContact CH2-CD1 3.37Å; W419-I427 HydrophobicContact CZ2-CD1 3.55Å; W419-I427 HydrophobicContact CZ3-CD1 4.16Å; N423-I427 HydrophobicContact CB-CD1 3.89Å; N423-I427 HydrophobicContact CB-CG1 4.29Å; N423-I427 WeakPolarHBondContact O-CB 3.47Å; N423-I427 WeakPolarHBondContact O-CD1 3.39Å; N423-I427 WeakPolarHBondContact O-CG1 3.35Å; N423-I427 PolarHBondContact O-N 3.29Å; Q425-I427 VanDerWaalsContact C-N 3.33Å; Q425-I427 PolarHBondContact O-N 3.42Å; I427-T430 PolarHBondContact O-N 3.32Å; I427-A431 PolarHBondContact O-N 3.48Å
428	L	86.5	Confident	74.7	Confident	11 Å²	11	62.5 Å²	62.5	6%	0.058	35%	0.354	C	S	.	.	H	α-helix	trans	-72.9	-36.3	-179.7	-66.6	170.5	0	0	0	113.2	L359 L387 Q391 A424 Q425 L426 T430 A431 S432	L359-L428 HydrophobicContact CD1-CD1 3.53Å; L359-L428 HydrophobicContact CD2-CD1 3.62Å; L359-L428 HydrophobicContact CG-CD1 4.22Å; L387-L428 HydrophobicContact CD1-CD1 3.95Å; L387-L428 HydrophobicContact CD1-CD2 4.5Å; L387-L428 HydrophobicContact CD2-CD1 3.42Å; L387-L428 VanDerWaalsContact CD2-CD1 3.42Å; L387-L428 HydrophobicContact CD2-CD2 4.4Å; L387-L428 HydrophobicContact CG-CD1 4.35Å; Q391-L428 HydrophobicContact CB-CD2 3.66Å; Q391-L428 HydrophobicContact CG-CD2 3.95Å; A424-L428 VanDerWaalsContact O-CG 3.27Å; A424-L428 WeakPolarHBondContact O-CG 3.29Å; A424-L428 PolarHBondContact O-N 2.85Å; Q425-L428 PolarHBondContact O-N 3.39Å; L426-L428 VanDerWaalsContact C-N 3.3Å; L426-L428 PolarHBondContact O-N 3.34Å; L428-T430 VanDerWaalsContact C-N 3.32Å; L428-A431 PolarHBondContact O-N 3.25Å; L428-S432 PolarHBondContact O-N 3.44Å; L428-S432 PolarHBondContact O-OG 3.38Å
429	E	85.2	Confident	72.1	Confident	93 Å²	93	70.6 Å²	70.6	44%	0.435	39%	0.388	S	S	.	.	H	α-helix	trans	-65.8	-36.7	172.4	-72.8	173.4	-174.9	0	0	111.4	Q425 L426 S432 V433	Q425-E429 HydrophobicContact CG-CG 4.46Å; Q425-E429 WeakPolarHBondContact CG-OE1 3.4Å; Q425-E429 PolarHBondContact NE2-OE1 2.94Å; Q425-E429 WeakPolarHBondContact O-CG 3.49Å; Q425-E429 PolarHBondContact O-N 3.02Å; L426-E429 PolarHBondContact O-N 2.86Å; E429-S432 PolarHBondContact O-N 3.49Å; E429-S432 PolarHBondContact O-OG 3.28Å; E429-V433 WeakPolarHBondContact O-CG2 3.23Å; E429-V433 PolarHBondContact O-N 3.33Å
430	T	83.2	Confident	69.5	Low	84 Å²	84	75.2 Å²	75.2	52%	0.515	42%	0.416	S	S	.	.	H	α-helix	trans	-66.8	-39.8	174.3	-54.5	0	0	0	0	111	L426 I427 L428 V433 G434	L426-T430 WeakPolarHBondContact O-CB 3.19Å; L426-T430 PolarHBondContact O-N 2.8Å; L426-T430 PolarHBondContact O-OG1 2.79Å; I427-T430 PolarHBondContact O-N 3.32Å; L428-T430 VanDerWaalsContact C-N 3.32Å; T430-V433 PolarHBondContact O-N 2.95Å; T430-G434 PolarHBondContact O-N 2.93Å
431	A	79	Confident	66.9	Low	14 Å²	14	83.4 Å²	83.4	12%	0.116	45%	0.454	C	S	.	.	H	α-helix	trans	-64.1	-39.8	177.2	0	0	0	0	0	112.7	F394 I427 L428 G434 Q435	F394-A431 HydrophobicContact CD1-CB 3.62Å; F394-A431 HydrophobicContact CD2-CB 4.41Å; F394-A431 HydrophobicContact CE1-CB 3.61Å; F394-A431 HydrophobicContact CE2-CB 4.41Å; F394-A431 HydrophobicContact CG-CB 4.04Å; F394-A431 HydrophobicContact CZ-CB 4.03Å; I427-A431 PolarHBondContact O-N 3.48Å; L428-A431 PolarHBondContact O-N 3.25Å; A431-G434 PolarHBondContact O-N 2.88Å; A431-Q435 WeakPolarHBondContact O-CG 3.36Å; A431-Q435 PolarHBondContact O-N 2.99Å; A431-Q435 VanDerWaalsContact O-N 3.12Å
432	S	74.9	Confident	64.6	Low	69 Å²	69	91.4 Å²	91.4	48%	0.483	49%	0.488	S	S	.	.	H	α-helix	trans	-70.2	-35.4	179.8	61.4	0	0	0	0	112.6	L428 E429	L428-S432 PolarHBondContact O-N 3.44Å; L428-S432 PolarHBondContact O-OG 3.38Å; E429-S432 PolarHBondContact O-N 3.49Å; E429-S432 PolarHBondContact O-OG 3.28Å
433	V	66.5	Low	62.4	Low	108 Å²	108	90.1 Å²	90.1	66%	0.655	49%	0.492	S	S	*	.	H	α-helix	trans	-71.6	-39.3	174.6	177.6	0	0	0	0	111.4	E429 T430 Q435 T436	E429-V433 WeakPolarHBondContact O-CG2 3.23Å; E429-V433 PolarHBondContact O-N 3.33Å; T430-V433 PolarHBondContact O-N 2.95Å; V433-Q435 VanDerWaalsContact C-N 3.34Å; V433-Q435 PolarHBondContact O-N 2.9Å; V433-T436 PolarHBondContact O-OG1 3.45Å
434	G	55.5	Low	59.6	Low	42 Å²	42	95.4 Å²	95.4	43%	0.433	52%	0.52	S	S	.	.	H	α-helix	trans	-69.5	-26	179.2	0	0	0	0	0	114.5	T430 A431 T436 V437	T430-G434 PolarHBondContact O-N 2.93Å; A431-G434 PolarHBondContact O-N 2.88Å; G434-T436 PolarHBondContact O-N 3.19Å; G434-V437 PolarHBondContact O-N 2.99Å
435	Q	51.7	Low	57.3	Low	144 Å²	144	100.8 Å²	100.8	67%	0.673	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-16.4	-179.6	-87.7	178.9	-10.3	0	0	114.3	A431 V433 V437	A431-Q435 WeakPolarHBondContact O-CG 3.36Å; A431-Q435 PolarHBondContact O-N 2.99Å; A431-Q435 VanDerWaalsContact O-N 3.12Å; V433-Q435 VanDerWaalsContact C-N 3.34Å; V433-Q435 PolarHBondContact O-N 2.9Å; Q435-V437 VanDerWaalsContact C-N 3.35Å; Q435-V437 PolarHBondContact O-N 2.98Å
436	T	41.8	Very low	54.8	Low	118 Å²	118	106.5 Å²	106.5	72%	0.724	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-10.5	177.7	8.6	0	0	0	0	115.3	V433 G434	V433-T436 PolarHBondContact O-OG1 3.45Å; G434-T436 PolarHBondContact O-N 3.19Å
437	V	45	Very low	52.9	Low	126 Å²	126	107.6 Å²	107.6	76%	0.764	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.8	-5.2	-171.9	-176.6	0	0	0	0	115.8	G434 Q435	G434-V437 PolarHBondContact O-N 2.99Å; Q435-V437 VanDerWaalsContact C-N 3.35Å; Q435-V437 PolarHBondContact O-N 2.98Å
438	V	35.7	Very low	51.4	Low	107 Å²	107	111.6 Å²	111.6	65%	0.648	62%	0.622	S	S	*	*			trans	-117.5	83	179.5	-165.1	0	0	0	0	111.7
439	K	28.4	Very low	50.5	Low	198 Å²	198	115.8 Å²	115.8	86%	0.861	65%	0.648	S	S	*	*	S	Bend	trans	-87	117.4	151.3	-94.4	-178.7	172.3	179.4	0	107.5
440	D	36.4	Very low	50.6	Low	138 Å²	138	113.7 Å²	113.7	74%	0.738	64%	0.64	S	S	*	*	S	Bend	trans	50.5	67.4	155.8	-74.7	-22.8	0	0	0	120.2
441	E	33.3	Very low	51	Low	172 Å²	172	111.9 Å²	111.9	80%	0.804	63%	0.627	S	S	*	*			trans	-131.5	12.4	158.9	-75.6	-165.4	162.1	0	0	116.2
442	F	34.7	Very low	51.8	Low	179 Å²	179	111.5 Å²	111.5	79%	0.785	62%	0.622	S	S	*	*			trans	-112	24.2	170.4	-81	-76.7	0	0	0	114.6	N444	F442-N444 VanDerWaalsContact C-N 3.3Å
443	S	38.1	Very low	52.8	Low	87 Å²	87	108.2 Å²	108.2	61%	0.608	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	0.3	171.5	43.4	0	0	0	0	114.4
444	N	29.9	Very low	54.3	Low	152 Å²	152	103.4 Å²	103.4	81%	0.813	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	35.3	180	-71.3	-32.6	0	0	0	114	F442 H446	F442-N444 VanDerWaalsContact C-N 3.3Å; N444-H446 PolarHBondContact O-N 3.19Å
445	V	38.7	Very low	56.3	Low	113 Å²	113	101.5 Å²	101.5	69%	0.685	55%	0.55	S	S	*	.	S	Bend	trans	-72.9	115.9	154.7	-177.4	0	0	0	0	105.3
446	H	34.4	Very low	58.4	Low	167 Å²	167	94.7 Å²	94.7	77%	0.773	52%	0.518	S	S	*	.			trans	-33.8	138.1	174.8	-81	-91.2	0	0	0	111.3	N444 S448	N444-H446 PolarHBondContact O-N 3.19Å; H446-S448 VanDerWaalsContact C-N 3.27Å; H446-S448 PolarHBondContact O-N 3.28Å
447	P	44.6	Very low	61	Low	119 Å²	119	89.1 Å²	89.1	77%	0.773	48%	0.483	S	S	*	.			trans	-61.6	97	175.6	26	-31.2	0	0	0	107.4	V449	P447-V449 PolarHBondContact O-N 3.36Å
448	S	56.1	Low	63.3	Low	103 Å²	103	85.4 Å²	85.4	72%	0.72	46%	0.456	S	S	*	.			trans	-53	116.8	154.9	53.7	0	0	0	0	104	H446 D450	H446-S448 VanDerWaalsContact C-N 3.27Å; H446-S448 PolarHBondContact O-N 3.28Å; S448-D450 PolarHBondContact O-N 2.92Å
449	V	68.2	Low	65.9	Low	98 Å²	98	80.4 Å²	80.4	59%	0.594	43%	0.426	S	S	*	.			trans	-43	107.3	179.7	177.7	0	0	0	0	107.5	P447 V526	P447-V449 PolarHBondContact O-N 3.36Å; V449-V526 HydrophobicContact CG1-CB 3.96Å; V449-V526 HydrophobicContact CG1-CG1 4.36Å
450	D	86.1	Confident	68.6	Low	50 Å²	50	72.6 Å²	72.6	27%	0.267	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-69.9	143.2	-179.9	-165.9	14.4	0	0	0	107.3	S448 S499 V526	S448-D450 PolarHBondContact O-N 2.92Å; D450-S499 PolarHBondContact OD1-N 3.27Å; D450-S499 WeakPolarHBondContact OD2-CB 3.22Å; D450-S499 PolarHBondContact OD2-N 2.94Å; D450-S499 VanDerWaalsContact OD2-N 3.11Å; D450-S499 PolarHBondContact OD2-OG 3.04Å; D450-V526 WeakPolarHBondContact O-CB 3.41Å; D450-V526 WeakPolarHBondContact O-CG2 3.47Å
451	N	92.7	Very high	71.1	Confident	46 Å²	46	67.5 Å²	67.5	25%	0.246	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-93.5	161.1	-179.5	-70.4	-43.6	0	0	0	109.4	R498 A524 V525	N451-R498 HydrophobicContact CB-CB 4.37Å; N451-R498 WeakPolarHBondContact O-CA 3.26Å; N451-R498 WeakPolarHBondContact O-CB 3.47Å; N451-R498 PolarHBondContact O-N 2.9Å; N451-A524 WeakPolarHBondContact CB-O 3.34Å; N451-V525 WeakPolarHBondContact OD1-CA 3.44Å
452	L	95.7	Very high	73.9	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.026	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	145.5	165.3	-66.3	169.4	0	0	0	109.4	G496 M497 L523 A524 V526 Q535 L536 F539	L452-G496 WeakPolarHBondContact CA-O 3.33Å; L452-M497 HydrophobicContact CD2-CE 3.29Å; L452-M497 HydrophobicContact CD2-SD 4.32Å; L452-M497 HydrophobicContact CG-CE 4.48Å; L452-L523 WeakPolarHBondContact O-CA 3.3Å; L452-A524 HydrophobicContact CB-CB 4.17Å; L452-A524 PolarHBondContact N-O 3.48Å; L452-A524 PolarHBondContact O-N 2.89Å; L452-V526 HydrophobicContact CD1-CG2 4.49Å; L452-V526 HydrophobicContact CG-CG2 3.94Å; L452-Q535 HydrophobicContact CD1-CB 4.11Å; L452-L536 HydrophobicContact CD2-CB 4.43Å; L452-L536 HydrophobicContact CD2-CD1 3.63Å; L452-F539 HydrophobicContact CB-CD1 3.97Å; L452-F539 HydrophobicContact CB-CD2 4.16Å; L452-F539 HydrophobicContact CB-CE1 4.12Å; L452-F539 HydrophobicContact CB-CE2 4.31Å; L452-F539 HydrophobicContact CB-CG 3.99Å; L452-F539 HydrophobicContact CB-CZ 4.29Å; L452-F539 HydrophobicContact CD1-CB 3.75Å; L452-F539 HydrophobicContact CD1-CD2 4.44Å; L452-F539 HydrophobicContact CD1-CG 4Å
453	G	96	Very high	76.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	137.2	-177.9	0	0	0	0	0	113.1	E495 G496 C501 E522	G453-E495 WeakPolarHBondContact O-CA 3.43Å; G453-G496 PolarHBondContact N-O 3.42Å; G453-G496 PolarHBondContact O-N 3.2Å; G453-C501 PolarHBondContact O-SG 3.47Å; G453-E522 WeakPolarHBondContact CA-O 3.27Å
454	R	97.4	Very high	79.1	Confident	8 Å²	8	53.7 Å²	53.7	3%	0.03	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.8	168	178.3	-177.1	-46.4	130.4	14.3	109.2	W456 V494 E495 H521 E522 F539	R454-W456 VanDerWaalsContact CD-CE2 3.48Å; R454-W456 HydrophobicContact CG-CZ2 4.27Å; R454-V494 CarbonylContact C-O 3.51Å; R454-V494 VanDerWaalsContact CA-O 3.27Å; R454-V494 WeakPolarHBondContact CA-O 3.19Å; R454-E495 HydrophobicContact CB-CG 4.02Å; R454-E495 WeakPolarHBondContact CD-OE1 3.09Å; R454-E495 HydrophobicContact CG-CG 3.65Å; R454-E495 IonicContact CZ-OE1 3.5Å; R454-E495 IonicContact NE-OE1 2.69Å; R454-E495 PolarHBondContact NE-OE1 2.93Å; R454-E495 IonicContact NH2-OE1 3.21Å; R454-H521 CarbonylContact O-C 3.56Å; R454-H521 WeakPolarHBondContact O-CA 3.41Å; R454-E522 HydrophobicContact CB-CB 4.27Å; R454-E522 IonicContact CZ-OE2 3.11Å; R454-E522 PolarHBondContact N-O 3.29Å; R454-E522 IonicContact NH1-OE1 2.96Å; R454-E522 PolarHBondContact NH1-OE1 3.29Å; R454-E522 IonicContact NH1-OE2 3.14Å; R454-E522 PolarHBondContact NH1-OE2 3.48Å; R454-E522 PolarHBondContact O-N 2.88Å; R454-F539 HydrophobicContact CB-CE1 4Å; R454-F539 HydrophobicContact CB-CZ 3.84Å; R454-F539 PolarHBondContact NH2-O 3.24Å
455	F	97.7	Very high	82	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.009	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129	-176.7	-79.1	29	0	0	0	110.1	C493 V494 C501 Q502 W505 L518 H521	F455-C493 WeakPolarHBondContact O-CA 3.41Å; F455-V494 HydrophobicContact CB-CG2 3.75Å; F455-V494 PolarHBondContact N-O 3.33Å; F455-V494 PolarHBondContact O-N 3.17Å; F455-C501 HydrophobicContact CD1-CB 3.85Å; F455-C501 HydrophobicContact CD2-CB 4.15Å; F455-C501 HydrophobicContact CE1-CB 3.92Å; F455-C501 HydrophobicContact CE2-CB 4.22Å; F455-C501 HydrophobicContact CG-CB 3.98Å; F455-C501 HydrophobicContact CZ-CB 4.1Å; F455-Q502 HydrophobicContact CE2-CB 4.46Å; F455-Q502 HydrophobicContact CZ-CB 4.42Å; F455-W505 HydrophobicContact CD2-CB 3.97Å; F455-W505 HydrophobicContact CD2-CG 4.46Å; F455-W505 HydrophobicContact CE2-CB 4.09Å; F455-L518 HydrophobicContact CB-CD1 3.62Å; F455-L518 HydrophobicContact CD2-CD1 3.61Å; F455-L518 HydrophobicContact CD2-CD2 3.8Å; F455-L518 HydrophobicContact CD2-CG 4.38Å; F455-L518 HydrophobicContact CE2-CD1 4.46Å; F455-L518 HydrophobicContact CE2-CD2 3.81Å; F455-L518 HydrophobicContact CG-CD1 3.73Å; F455-L518 HydrophobicContact CG-CD2 4.41Å; F455-L518 HydrophobicContact CZ-CD2 4.44Å; F455-H521 HydrophobicContact CD1-CB 3.75Å; F455-H521 HydrophobicContact CE1-CB 3.97Å; F455-H521 HydrophobicContact CG-CB 4.37Å
456	W	96.5	Very high	84.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	102.7	-179.5	-67.1	103.6	0	0	0	108.9	R454 F483 C493 K519 H520 E522 F542 L571 C576 I579 Y583	R454-W456 VanDerWaalsContact CD-CE2 3.48Å; R454-W456 HydrophobicContact CG-CZ2 4.27Å; W456-F483 HydrophobicContact CH2-CE1 4.27Å; W456-F483 AromaticContact CZ3-CE1 3.81Å; W456-F483 HydrophobicContact CZ3-CE1 3.81Å; W456-F483 AromaticContact CZ3-CZ 3.84Å; W456-F483 HydrophobicContact CZ3-CZ 3.84Å; W456-C493 HydrophobicContact CD2-CB 4.42Å; W456-C493 HydrophobicContact CE3-CB 3.67Å; W456-C493 HydrophobicContact CH2-CB 4.23Å; W456-C493 VanDerWaalsContact CH2-SG 3.6Å; W456-C493 HydrophobicContact CZ3-CB 3.58Å; W456-C493 VanDerWaalsContact CZ3-SG 3.52Å; W456-K519 WeakPolarHBondContact O-CA 3.22Å; W456-K519 WeakPolarHBondContact O-CB 3.11Å; W456-K519 PolarHBondContact O-N 3.17Å; W456-H520 HydrophobicContact CB-CB 3.98Å; W456-H520 WeakPolarHBondContact CB-O 3.35Å; W456-H520 AromaticContact CD1-CD2 3.71Å; W456-H520 HydrophobicContact CG-CB 4.33Å; W456-H520 PolarHBondContact N-O 3.38Å; W456-H520 PolarHBondContact O-N 3.2Å; W456-E522 PolarHBondContact NE1-OE1 2.89Å; W456-F542 HydrophobicContact CH2-CE2 4.24Å; W456-F542 HydrophobicContact CH2-CZ 4.35Å; W456-L571 HydrophobicContact CH2-CD2 4.14Å; W456-L571 HydrophobicContact CZ3-CD2 4.21Å; W456-C576 HydrophobicContact CH2-CB 3.95Å; W456-C576 HydrophobicContact CZ2-CB 4.14Å; W456-I579 HydrophobicContact CD2-CD1 4.25Å; W456-I579 HydrophobicContact CD2-CG1 4.18Å; W456-I579 HydrophobicContact CD2-CG2 3.79Å; W456-I579 HydrophobicContact CE3-CG2 3.8Å; W456-I579 HydrophobicContact CG-CD1 4.25Å; W456-I579 HydrophobicContact CG-CG2 4.26Å; W456-I579 HydrophobicContact CH2-CG1 4.22Å; W456-I579 HydrophobicContact CH2-CG2 4.4Å; W456-I579 HydrophobicContact CZ2-CB 4.43Å; W456-I579 HydrophobicContact CZ2-CD1 4.27Å; W456-I579 HydrophobicContact CZ2-CG1 3.64Å; W456-I579 HydrophobicContact CZ2-CG2 4.41Å; W456-I579 HydrophobicContact CZ3-CG2 4.1Å; W456-Y583 WeakPolarHBondContact CA-OH 3.03Å; W456-Y583 HydrophobicContact CB-CE2 4.44Å; W456-Y583 VanDerWaalsContact CB-OH 3.29Å; W456-Y583 WeakPolarHBondContact CB-OH 3.09Å; W456-Y583 HydrophobicContact CE3-CE2 4.04Å
457	I	95.4	Very high	87.5	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.8	-172.9	-60.8	160.8	0	0	0	109.4	I491 I492 F504 W505 I516 L517 L518 Y583	I457-I491 WeakPolarHBondContact O-CA 3.4Å; I457-I492 HydrophobicContact CB-CB 4.1Å; I457-I492 HydrophobicContact CG2-CD1 4.48Å; I457-I492 PolarHBondContact N-O 3.1Å; I457-I492 PolarHBondContact O-N 3.41Å; I457-F504 HydrophobicContact CD1-CD1 4.23Å; I457-F504 HydrophobicContact CD1-CE1 3.95Å; I457-W505 HydrophobicContact CD1-CE3 3.76Å; I457-W505 HydrophobicContact CD1-CZ3 4.38Å; I457-W505 HydrophobicContact CG1-CE3 3.93Å; I457-W505 HydrophobicContact CG1-CZ3 4.22Å; I457-W505 HydrophobicContact CG2-CE3 4.18Å; I457-W505 HydrophobicContact CG2-CZ3 3.68Å; I457-I516 HydrophobicContact CG2-CD1 3.91Å; I457-I516 HydrophobicContact CG2-CG1 3.77Å; I457-L517 CarbonylContact C-O 3.57Å; I457-L517 VanDerWaalsContact CA-O 3.28Å; I457-L517 WeakPolarHBondContact CA-O 3.21Å; I457-L517 WeakPolarHBondContact CG2-O 3.26Å; I457-L518 HydrophobicContact CG1-CD1 3.88Å; I457-Y583 PolarHBondContact N-OH 2.9Å; I457-Y583 PolarHBondContact O-OH 2.96Å
458	Y	92.9	Very high	89.9	Confident	48 Å²	48	46.5 Å²	46.5	19%	0.188	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.4	173.6	-177.7	-100.8	0	0	0	110.3	P489 I516 L517 Y583	Y458-P489 HydrophobicContact CD2-CB 4.22Å; Y458-P489 HydrophobicContact CE2-CB 3.37Å; Y458-P489 HydrophobicContact CE2-CG 4.14Å; Y458-I516 CarbonylContact O-C 3.55Å; Y458-I516 VanDerWaalsContact O-CA 3.28Å; Y458-I516 WeakPolarHBondContact O-CA 3.38Å; Y458-I516 WeakPolarHBondContact O-CG1 3.26Å; Y458-L517 HydrophobicContact CD1-CD1 4.31Å; Y458-L517 PolarHBondContact N-O 2.94Å; Y458-L517 PolarHBondContact O-N 3.39Å; Y458-Y583 AromaticContact CD2-CD1 3.72Å; Y458-Y583 HydrophobicContact CD2-CD1 3.72Å; Y458-Y583 HydrophobicContact CD2-CE1 4.06Å; Y458-Y583 HydrophobicContact CG-CD1 4.32Å; Y458-Y583 HydrophobicContact CG-CE1 4.4Å
459	S	91	Very high	91.8	Very high	2 Å²	2	49 Å²	49	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.6	165.2	176.9	0	0	0	0	110	H461 G490 W513 R515	S459-H461 PolarHBondContact O-N 2.88Å; S459-H461 PolarHBondContact OG-N 3.49Å; S459-H461 PolarHBondContact OG-O 3.39Å; S459-G490 PolarHBondContact N-O 3.48Å; S459-G490 PolarHBondContact O-N 3.49Å; S459-G490 VanDerWaalsContact O-O 3.09Å; S459-W513 VanDerWaalsContact OG-CE3 3.26Å; S459-W513 WeakPolarHBondContact OG-CZ3 3.45Å; S459-R515 VanDerWaalsContact CA-O 3.31Å; S459-R515 WeakPolarHBondContact CA-O 3.28Å; S459-R515 PolarHBondContact OG-O 3.29Å
460	H	85.1	Confident	93.1	Very high	35 Å²	35	45.2 Å²	45.2	16%	0.162	21%	0.21	C	C	.	.	S	Bend	trans	-55.9	-42.9	172.9	179.9	64.7	0	0	0	111.7	R515	H460-R515 HydrophobicContact CB-CB 4.05Å; H460-R515 PolarHBondContact N-O 2.97Å; H460-R515 VanDerWaalsContact N-O 3.1Å
461	H	89.3	Confident	93.7	Very high	30 Å²	30	42.9 Å²	42.9	14%	0.139	20%	0.197	C	C	.	.			trans	-158.8	160.7	167.8	57.9	-105.9	0	0	0	111.4	S459 Y463 G487 R488	S459-H461 PolarHBondContact O-N 2.88Å; S459-H461 PolarHBondContact OG-N 3.49Å; S459-H461 PolarHBondContact OG-O 3.39Å; H461-Y463 HydrophobicContact CB-CD2 3.8Å; H461-Y463 HydrophobicContact CB-CE2 3.52Å; H461-Y463 HydrophobicContact CB-CG 4.43Å; H461-Y463 AromaticContact CD2-CD2 3.31Å; H461-Y463 WeakPolarHBondContact CD2-CD2 3.12Å; H461-Y463 AromaticContact CD2-CE2 3.84Å; H461-Y463 AromaticContact CG-CD2 3.52Å; H461-Y463 AromaticContact CG-CE2 3.53Å; H461-Y463 AromaticContact NE2-CD2 3.97Å; H461-G487 CarbonylContact C-O 3.55Å; H461-G487 WeakPolarHBondContact CA-O 3.48Å; H461-G487 VanDerWaalsContact CB-O 3.31Å; H461-G487 WeakPolarHBondContact CB-O 3.26Å; H461-R488 HydrophobicContact CB-CB 4.33Å
462	I	91.6	Very high	93.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-128	89.5	168.7	-59	158.4	0	0	0	108.1	R468 I471 P486 G487 I492 W513	I462-R468 HydrophobicContact CG2-CG 3.8Å; I462-R468 PolarHBondContact O-NE 3.23Å; I462-R468 PolarHBondContact O-NH2 3.12Å; I462-I471 HydrophobicContact CD1-CD1 4.48Å; I462-I471 HydrophobicContact CG2-CD1 4.18Å; I462-P486 WeakPolarHBondContact O-CB 3.45Å; I462-G487 PolarHBondContact N-O 2.96Å; I462-G487 PolarHBondContact O-N 2.94Å; I462-G487 VanDerWaalsContact O-N 3.11Å; I462-I492 HydrophobicContact CD1-CD1 3.9Å; I462-I492 HydrophobicContact CD1-CG1 3.64Å; I462-W513 HydrophobicContact CG1-CH2 4.08Å; I462-W513 HydrophobicContact CG1-CZ3 3.77Å
463	Y	90.3	Very high	93.9	Very high	79 Å²	79	45.3 Å²	45.3	31%	0.31	22%	0.218	S	C	.	.			trans	-104.1	-42.9	178.4	-64.6	-48.7	0	0	0	113.3	H461 K465 R468 R488	H461-Y463 HydrophobicContact CB-CD2 3.8Å; H461-Y463 HydrophobicContact CB-CE2 3.52Å; H461-Y463 HydrophobicContact CB-CG 4.43Å; H461-Y463 AromaticContact CD2-CD2 3.31Å; H461-Y463 WeakPolarHBondContact CD2-CD2 3.12Å; H461-Y463 AromaticContact CD2-CE2 3.84Å; H461-Y463 AromaticContact CG-CD2 3.52Å; H461-Y463 AromaticContact CG-CE2 3.53Å; H461-Y463 AromaticContact NE2-CD2 3.97Å; Y463-K465 PolarHBondContact O-N 3.37Å; Y463-R468 PolarHBondContact O-NE 3.38Å; Y463-R468 VanDerWaalsContact O-NE 3.12Å; Y463-R468 PolarHBondContact O-NH2 3.43Å; Y463-R488 VanDerWaalsContact OH-CB 3.28Å; Y463-R488 WeakPolarHBondContact OH-CB 3.4Å
464	N	90.8	Very high	94	Very high	69 Å²	69	46.1 Å²	46.1	37%	0.369	22%	0.222	S	C	.	.			trans	-54.2	124.8	-175.3	177.7	-54.1	0	0	0	111.6	E466 K467 R468	N464-E466 VanDerWaalsContact C-N 3.34Å; N464-E466 PolarHBondContact O-N 3.03Å; N464-E466 WeakPolarHBondContact OD1-CA 3.39Å; N464-E466 VanDerWaalsContact OD1-CB 3.24Å; N464-E466 WeakPolarHBondContact OD1-CB 3.34Å; N464-E466 PolarHBondContact OD1-N 3.36Å; N464-K467 HydrophobicContact CB-CB 4.25Å; N464-K467 HydrophobicContact CB-CD 4.03Å; N464-K467 HydrophobicContact CB-CG 4.04Å; N464-K467 PolarHBondContact O-N 3.15Å; N464-K467 PolarHBondContact OD1-N 3.33Å; N464-R468 WeakPolarHBondContact O-CG 2.92Å; N464-R468 PolarHBondContact O-N 3.32Å; N464-R468 VanDerWaalsContact O-N 3.13Å
465	K	92	Very high	94	Very high	169 Å²	169	45.8 Å²	45.8	74%	0.735	22%	0.22	S	C	*	.	H	α-helix	trans	-65.3	-34.2	-176.8	-68.9	-178.9	-179.3	175.5	0	112.9	Y463 R468 K469	Y463-K465 PolarHBondContact O-N 3.37Å; K465-R468 PolarHBondContact O-N 3.38Å; K465-K469 WeakPolarHBondContact O-CG 3.32Å; K465-K469 PolarHBondContact O-N 2.75Å
466	E	93.5	Very high	93.9	Very high	148 Å²	148	53.4 Å²	53.4	69%	0.692	25%	0.254	S	S	*	.	H	α-helix	trans	-67.9	-44	177.1	-54.5	-179.3	152.7	0	0	110.8	N464 R468 K469 G470	N464-E466 VanDerWaalsContact C-N 3.34Å; N464-E466 PolarHBondContact O-N 3.03Å; N464-E466 WeakPolarHBondContact OD1-CA 3.39Å; N464-E466 VanDerWaalsContact OD1-CB 3.24Å; N464-E466 WeakPolarHBondContact OD1-CB 3.34Å; N464-E466 PolarHBondContact OD1-N 3.36Å; E466-R468 VanDerWaalsContact C-N 3.34Å; E466-R468 PolarHBondContact O-N 3.03Å; E466-K469 PolarHBondContact O-N 2.81Å; E466-G470 PolarHBondContact O-N 3.5Å
467	K	94.4	Very high	93.9	Very high	23 Å²	23	60.1 Å²	60.1	10%	0.1	29%	0.285	C	S	.	.	H	α-helix	trans	-59	-45	174	-68.5	-177	-175.2	165.4	0	111.4	N464 G470 I471 W511 T512 W513	N464-K467 HydrophobicContact CB-CB 4.25Å; N464-K467 HydrophobicContact CB-CD 4.03Å; N464-K467 HydrophobicContact CB-CG 4.04Å; N464-K467 PolarHBondContact O-N 3.15Å; N464-K467 PolarHBondContact OD1-N 3.33Å; K467-G470 PolarHBondContact O-N 2.95Å; K467-I471 WeakPolarHBondContact O-CB 3.49Å; K467-I471 WeakPolarHBondContact O-CD1 3.21Å; K467-I471 WeakPolarHBondContact O-CG1 3.29Å; K467-I471 PolarHBondContact O-N 3.31Å; K467-W511 HydrophobicContact CB-CE3 4.37Å; K467-W511 HydrophobicContact CB-CZ3 4.16Å; K467-W511 HydrophobicContact CG-CE3 4.07Å; K467-W511 HydrophobicContact CG-CZ3 4.33Å; K467-T512 WeakPolarHBondContact CE-O 3.12Å; K467-T512 PolarHBondContact NZ-O 3.24Å; K467-W513 HydrophobicContact CB-CH2 4.49Å; K467-W513 HydrophobicContact CD-CE3 4.34Å; K467-W513 HydrophobicContact CD-CH2 3.78Å; K467-W513 HydrophobicContact CD-CZ2 4.07Å; K467-W513 HydrophobicContact CD-CZ3 3.91Å
468	R	95.4	Very high	93.9	Very high	59 Å²	59	61.7 Å²	61.7	22%	0.223	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-49.3	176.9	-66.3	-179.4	-160.7	-155.8	8.7	111.8	I462 Y463 N464 K465 E466 G470 I471 L472 P486 E547	I462-R468 HydrophobicContact CG2-CG 3.8Å; I462-R468 PolarHBondContact O-NE 3.23Å; I462-R468 PolarHBondContact O-NH2 3.12Å; Y463-R468 PolarHBondContact O-NE 3.38Å; Y463-R468 VanDerWaalsContact O-NE 3.12Å; Y463-R468 PolarHBondContact O-NH2 3.43Å; N464-R468 WeakPolarHBondContact O-CG 2.92Å; N464-R468 PolarHBondContact O-N 3.32Å; N464-R468 VanDerWaalsContact O-N 3.13Å; K465-R468 PolarHBondContact O-N 3.38Å; E466-R468 VanDerWaalsContact C-N 3.34Å; E466-R468 PolarHBondContact O-N 3.03Å; R468-G470 VanDerWaalsContact C-N 3.33Å; R468-G470 PolarHBondContact O-N 3.26Å; R468-I471 PolarHBondContact O-N 3.27Å; R468-L472 WeakPolarHBondContact O-CG 3.48Å; R468-L472 PolarHBondContact O-N 3.3Å; R468-L472 VanDerWaalsContact O-N 3.13Å; R468-P486 VanDerWaalsContact CZ-CB 3.47Å; R468-E547 IonicContact NH1-OE1 3.04Å; R468-E547 PolarHBondContact NH1-OE1 2.81Å
469	K	95.8	Very high	94	Very high	155 Å²	155	64.6 Å²	64.6	67%	0.674	31%	0.311	S	S	*	.	H	α-helix	trans	-60.5	-42.9	175.7	-74	179	179.6	-177.1	0	111.9	K465 E466 L472 A473	K465-K469 WeakPolarHBondContact O-CG 3.32Å; K465-K469 PolarHBondContact O-N 2.75Å; E466-K469 PolarHBondContact O-N 2.81Å; K469-L472 PolarHBondContact O-N 2.97Å; K469-A473 WeakPolarHBondContact O-CB 3.32Å; K469-A473 PolarHBondContact O-N 2.84Å
470	G	96.3	Very high	94.4	Very high	20 Å²	20	64.9 Å²	64.9	21%	0.206	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-43.1	178.2	0	0	0	0	0	112.2	E466 K467 R468 L472 A473 M474	E466-G470 PolarHBondContact O-N 3.5Å; K467-G470 PolarHBondContact O-N 2.95Å; R468-G470 VanDerWaalsContact C-N 3.33Å; R468-G470 PolarHBondContact O-N 3.26Å; G470-L472 VanDerWaalsContact C-N 3.34Å; G470-L472 PolarHBondContact O-N 3.45Å; G470-A473 PolarHBondContact O-N 3.07Å; G470-M474 WeakPolarHBondContact O-CB 3.35Å; G470-M474 PolarHBondContact O-N 3.18Å
471	I	97.5	Very high	94.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.4	-47.2	175.4	-73.6	159	0	0	0	110.2	I462 K467 R468 M474 S475 C484 I492 F504 I508 W511 W513 F545	I462-I471 HydrophobicContact CD1-CD1 4.48Å; I462-I471 HydrophobicContact CG2-CD1 4.18Å; K467-I471 WeakPolarHBondContact O-CB 3.49Å; K467-I471 WeakPolarHBondContact O-CD1 3.21Å; K467-I471 WeakPolarHBondContact O-CG1 3.29Å; K467-I471 PolarHBondContact O-N 3.31Å; R468-I471 PolarHBondContact O-N 3.27Å; I471-M474 PolarHBondContact O-N 2.89Å; I471-S475 WeakPolarHBondContact O-CB 3.46Å; I471-S475 PolarHBondContact O-N 3.44Å; I471-S475 PolarHBondContact O-OG 3.38Å; I471-C484 HydrophobicContact CG2-CB 3.94Å; I471-I492 HydrophobicContact CD1-CD1 3.59Å; I471-I492 HydrophobicContact CD1-CG1 4.37Å; I471-I492 HydrophobicContact CG1-CD1 4.09Å; I471-I492 HydrophobicContact CG2-CG2 4.43Å; I471-F504 HydrophobicContact CG2-CZ 4.27Å; I471-I508 HydrophobicContact CG1-CD1 3.74Å; I471-W511 HydrophobicContact CG1-CH2 4.32Å; I471-W511 HydrophobicContact CG1-CZ3 3.92Å; I471-W513 HydrophobicContact CD1-CH2 4.35Å; I471-F545 HydrophobicContact CG2-CE1 3.69Å; I471-F545 HydrophobicContact CG2-CZ 3.57Å
472	L	96.8	Very high	95.3	Very high	44 Å²	44	62 Å²	62	23%	0.23	30%	0.299	C	S	.	.	H	α-helix	trans	-66.7	-37	178.1	-68	170.1	0	0	0	113.2	R468 K469 G470 S475 K476 F545	R468-L472 WeakPolarHBondContact O-CG 3.48Å; R468-L472 PolarHBondContact O-N 3.3Å; R468-L472 VanDerWaalsContact O-N 3.13Å; K469-L472 PolarHBondContact O-N 2.97Å; G470-L472 VanDerWaalsContact C-N 3.34Å; G470-L472 PolarHBondContact O-N 3.45Å; L472-S475 PolarHBondContact O-OG 3.32Å; L472-S475 VanDerWaalsContact O-OG 3.07Å; L472-K476 WeakPolarHBondContact O-CG 3.28Å; L472-K476 PolarHBondContact O-N 2.86Å; L472-F545 HydrophobicContact CD2-CD1 3.79Å; L472-F545 HydrophobicContact CD2-CE1 3.86Å
473	A	96.9	Very high	95.6	Very high	58 Å²	58	62 Å²	62	48%	0.479	30%	0.299	S	S	.	.	H	α-helix	trans	-70.1	-41.9	178.1	0	0	0	0	0	111	K469 G470 K476 E477	K469-A473 WeakPolarHBondContact O-CB 3.32Å; K469-A473 PolarHBondContact O-N 2.84Å; G470-A473 PolarHBondContact O-N 3.07Å; A473-K476 WeakPolarHBondContact O-CB 3.49Å; A473-K476 PolarHBondContact O-N 3.45Å; A473-E477 PolarHBondContact O-N 3.06Å
474	M	96.9	Very high	95.9	Very high	18 Å²	18	58.2 Å²	58.2	9%	0.089	29%	0.285	C	S	.	.	H	α-helix	trans	-74.3	-35.1	-176.8	-167.3	172.6	-63	0	0	113	G470 I471 K476 E477 F478 F504 R507 I508 W511	G470-M474 WeakPolarHBondContact O-CB 3.35Å; G470-M474 PolarHBondContact O-N 3.18Å; I471-M474 PolarHBondContact O-N 2.89Å; M474-K476 VanDerWaalsContact C-N 3.26Å; M474-K476 PolarHBondContact O-N 3.4Å; M474-E477 PolarHBondContact O-N 2.99Å; M474-F478 HydrophobicContact CG-CD2 3.67Å; M474-F478 HydrophobicContact CG-CE2 3.49Å; M474-F478 VanDerWaalsContact CG-CE2 3.49Å; M474-F478 VanDerWaalsContact O-CD2 3.27Å; M474-F478 WeakPolarHBondContact O-CD2 3.48Å; M474-F478 PolarHBondContact O-N 3.43Å; M474-F478 VanDerWaalsContact O-N 3.11Å; M474-F478 HydrophobicContact SD-CE2 4.16Å; M474-F504 HydrophobicContact CB-CD2 4.18Å; M474-F504 HydrophobicContact CB-CE2 4.09Å; M474-F504 HydrophobicContact CG-CD2 3.76Å; M474-F504 HydrophobicContact CG-CE2 4.15Å; M474-F504 HydrophobicContact SD-CD2 4.14Å; M474-F504 HydrophobicContact SD-CE2 4.47Å; M474-R507 HydrophobicContact CE-CB 4.06Å; M474-R507 HydrophobicContact CE-CG 3.27Å; M474-R507 HydrophobicContact SD-CB 3.6Å; M474-R507 HydrophobicContact SD-CG 3.55Å; M474-R507 VanDerWaalsContact SD-CG 3.55Å; M474-I508 HydrophobicContact CE-CD1 4.34Å; M474-I508 HydrophobicContact SD-CD1 3.77Å; M474-I508 HydrophobicContact SD-CG1 3.95Å; M474-W511 HydrophobicContact CE-CH2 4.2Å; M474-W511 HydrophobicContact CE-CZ2 3.47Å; M474-W511 VanDerWaalsContact CE-CZ2 3.47Å; M474-W511 HydrophobicContact SD-CZ2 4.5Å
475	S	97.2	Very high	96.1	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-37.9	171.9	59.1	0	0	0	0	111.3	I471 L472 D479 L480 F545	I471-S475 WeakPolarHBondContact O-CB 3.46Å; I471-S475 PolarHBondContact O-N 3.44Å; I471-S475 PolarHBondContact O-OG 3.38Å; L472-S475 PolarHBondContact O-OG 3.32Å; L472-S475 VanDerWaalsContact O-OG 3.07Å; S475-D479 PolarHBondContact O-N 2.88Å; S475-L480 PolarHBondContact O-N 2.96Å; S475-F545 WeakPolarHBondContact OG-CD1 3.48Å; S475-F545 WeakPolarHBondContact OG-CG 3.46Å
476	K	96.2	Very high	96.1	Very high	162 Å²	162	47 Å²	47	70%	0.704	23%	0.233	S	C	*	.	H	α-helix	trans	-68.5	-41.2	173.3	-68.5	174.8	-177.2	-175.9	0	112.8	L472 A473 M474 F478 D479	L472-K476 WeakPolarHBondContact O-CG 3.28Å; L472-K476 PolarHBondContact O-N 2.86Å; A473-K476 WeakPolarHBondContact O-CB 3.49Å; A473-K476 PolarHBondContact O-N 3.45Å; M474-K476 VanDerWaalsContact C-N 3.26Å; M474-K476 PolarHBondContact O-N 3.4Å; K476-F478 PolarHBondContact O-N 3.25Å; K476-D479 PolarHBondContact O-N 3.46Å
477	E	96.6	Very high	95.9	Very high	142 Å²	142	40 Å²	40	66%	0.664	20%	0.2	S	C	*	.	H	α-helix	trans	-56.9	-39.5	177.3	-176.2	-175.5	161.2	0	0	111.9	A473 M474	A473-E477 PolarHBondContact O-N 3.06Å; M474-E477 PolarHBondContact O-N 2.99Å
478	F	96	Very high	95.4	Very high	33 Å²	33	43 Å²	43	15%	0.145	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	12	-178.2	-68.2	-53	0	0	0	114.5	M474 K476 L480 D500 R503 F504	M474-F478 HydrophobicContact CG-CD2 3.67Å; M474-F478 HydrophobicContact CG-CE2 3.49Å; M474-F478 VanDerWaalsContact CG-CE2 3.49Å; M474-F478 VanDerWaalsContact O-CD2 3.27Å; M474-F478 WeakPolarHBondContact O-CD2 3.48Å; M474-F478 PolarHBondContact O-N 3.43Å; M474-F478 VanDerWaalsContact O-N 3.11Å; M474-F478 HydrophobicContact SD-CE2 4.16Å; K476-F478 PolarHBondContact O-N 3.25Å; F478-L480 HydrophobicContact CB-CD1 3.88Å; F478-L480 HydrophobicContact CB-CG 3.76Å; F478-L480 PolarHBondContact O-N 3.2Å; F478-D500 HydrophobicContact CB-CB 4.19Å; F478-R503 HydrophobicContact CE1-CB 4.02Å; F478-R503 HydrophobicContact CE2-CB 4.41Å; F478-R503 HydrophobicContact CZ-CB 3.94Å; F478-F504 HydrophobicContact CD2-CB 3.96Å; F478-F504 HydrophobicContact CD2-CD2 4.28Å; F478-F504 HydrophobicContact CE2-CB 4.37Å
479	D	95	Very high	95.2	Very high	109 Å²	109	40.9 Å²	40.9	58%	0.583	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.9	46	-173.2	-167.7	52.3	0	0	0	113.8	S475 K476 R540	S475-D479 PolarHBondContact O-N 2.88Å; K476-D479 PolarHBondContact O-N 3.46Å; D479-R540 PolarHBondContact O-NH2 3.14Å; D479-R540 IonicContact OD2-NH2 2.82Å; D479-R540 PolarHBondContact OD2-NH2 3.04Å
480	L	97.9	Very high	95	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.047	17%	0.172	C	C	.	.			trans	-95.9	138.5	177.8	-58	178.6	0	0	0	109.9	S475 F478 V494 E495 D500 F504 F545	S475-L480 PolarHBondContact O-N 2.96Å; F478-L480 HydrophobicContact CB-CD1 3.88Å; F478-L480 HydrophobicContact CB-CG 3.76Å; F478-L480 PolarHBondContact O-N 3.2Å; L480-V494 HydrophobicContact CB-CB 4.28Å; L480-V494 HydrophobicContact CB-CG1 4.38Å; L480-V494 HydrophobicContact CD1-CB 3.99Å; L480-V494 HydrophobicContact CD1-CG1 4.14Å; L480-V494 HydrophobicContact CD1-CG2 4.33Å; L480-E495 WeakPolarHBondContact CA-O 3.22Å; L480-D500 HydrophobicContact CD2-CB 3.99Å; L480-F504 HydrophobicContact CD1-CB 3.53Å; L480-F504 HydrophobicContact CD1-CD2 3.85Å; L480-F504 HydrophobicContact CD1-CG 3.75Å; L480-F545 WeakPolarHBondContact O-CB 3.38Å
481	S	97.6	Very high	95	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.014	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	170.7	167.2	73.1	0	0	0	0	110.7	V494 E495 R540 F542	S481-V494 CarbonylContact O-C 3.52Å; S481-V494 WeakPolarHBondContact O-CA 3.23Å; S481-E495 PolarHBondContact N-O 3.29Å; S481-E495 PolarHBondContact O-N 3.47Å; S481-E495 PolarHBondContact OG-OE2 2.86Å; S481-R540 VanDerWaalsContact OG-CD 3.24Å; S481-R540 WeakPolarHBondContact OG-CD 3.44Å; S481-R540 VanDerWaalsContact OG-CG 3.25Å; S481-R540 WeakPolarHBondContact OG-CG 3.4Å; S481-R540 PolarHBondContact OG-NE 3.37Å; S481-F542 WeakPolarHBondContact CB-O 3.47Å; S481-F542 PolarHBondContact OG-O 3.3Å
482	G	97.6	Very high	95	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.1	-145.4	179.7	0	0	0	0	0	113.1	C493 S544 F545 S546	G482-C493 CarbonylContact C-O 3.25Å; G482-C493 VanDerWaalsContact CA-O 3.31Å; G482-C493 WeakPolarHBondContact CA-O 3.47Å; G482-S544 PolarHBondContact N-O 2.72Å; G482-S544 VanDerWaalsContact N-O 3.09Å; G482-F545 WeakPolarHBondContact O-CA 3.47Å; G482-S546 PolarHBondContact O-N 3.21Å
483	F	97.5	Very high	95	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	158	178.3	67.1	-88.5	0	0	0	113.3	W456 L485 I491 I492 C493 F542 S546 V548 F567 F570 L571	W456-F483 HydrophobicContact CH2-CE1 4.27Å; W456-F483 AromaticContact CZ3-CE1 3.81Å; W456-F483 HydrophobicContact CZ3-CE1 3.81Å; W456-F483 AromaticContact CZ3-CZ 3.84Å; W456-F483 HydrophobicContact CZ3-CZ 3.84Å; F483-L485 HydrophobicContact CD2-CB 4.28Å; F483-L485 HydrophobicContact CE2-CB 4.18Å; F483-I491 HydrophobicContact CE2-CG2 4.04Å; F483-I491 HydrophobicContact CZ-CG2 4.31Å; F483-I492 WeakPolarHBondContact O-CA 3.43Å; F483-C493 HydrophobicContact CD1-CB 3.68Å; F483-C493 HydrophobicContact CE1-CB 3.39Å; F483-C493 HydrophobicContact CG-CB 4.37Å; F483-C493 HydrophobicContact CZ-CB 3.88Å; F483-C493 PolarHBondContact N-O 2.96Å; F483-C493 PolarHBondContact O-N 2.91Å; F483-F542 HydrophobicContact CD1-CD1 4.07Å; F483-F542 HydrophobicContact CD1-CD2 4.27Å; F483-F542 AromaticContact CD1-CE1 3.67Å; F483-F542 HydrophobicContact CD1-CE1 3.67Å; F483-F542 AromaticContact CD1-CE2 3.91Å; F483-F542 HydrophobicContact CD1-CE2 3.91Å; F483-F542 HydrophobicContact CD1-CG 4.36Å; F483-F542 AromaticContact CD1-CZ 3.6Å; F483-F542 HydrophobicContact CD1-CZ 3.6Å; F483-F542 AromaticContact CE1-CE1 3.89Å; F483-F542 HydrophobicContact CE1-CE1 3.89Å; F483-F542 AromaticContact CE1-CE2 3.87Å; F483-F542 HydrophobicContact CE1-CE2 3.87Å; F483-F542 AromaticContact CE1-CZ 3.44Å; F483-F542 HydrophobicContact CE1-CZ 3.44Å; F483-F542 VanDerWaalsContact CE1-CZ 3.44Å; F483-S546 CarbonylContact C-O 3.59Å; F483-S546 WeakPolarHBondContact CA-O 3.37Å; F483-S546 WeakPolarHBondContact CB-O 3.34Å; F483-V548 HydrophobicContact CB-CG2 3.82Å; F483-V548 HydrophobicContact CG-CG2 4.48Å; F483-F567 AromaticContact CE2-CE2 3.79Å; F483-F567 HydrophobicContact CE2-CE2 3.79Å; F483-F567 HydrophobicContact CE2-CZ 4.37Å; F483-F567 AromaticContact CZ-CE2 3.78Å; F483-F567 HydrophobicContact CZ-CE2 3.78Å; F483-F567 HydrophobicContact CZ-CZ 4.19Å; F483-F570 AromaticContact CD1-CE1 3.87Å; F483-F570 HydrophobicContact CD1-CE1 3.87Å; F483-F570 HydrophobicContact CD1-CZ 4.24Å; F483-F570 HydrophobicContact CD2-CE1 4.48Å; F483-F570 AromaticContact CE1-CE1 3.85Å; F483-F570 HydrophobicContact CE1-CE1 3.85Å; F483-F570 HydrophobicContact CE2-CE1 4.46Å; F483-F570 HydrophobicContact CG-CE1 4.2Å; F483-F570 HydrophobicContact CG-CZ 4.44Å; F483-F570 HydrophobicContact CZ-CE1 4.15Å; F483-L571 HydrophobicContact CZ-CD2 4.45Å
484	C	96.5	Very high	95.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.007	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.4	164.4	178.6	0	0	0	0	108.6	I471 P486 F545 S546 E547 V548	I471-C484 HydrophobicContact CG2-CB 3.94Å; C484-P486 VanDerWaalsContact O-CD 3.32Å; C484-P486 WeakPolarHBondContact O-CD 3.43Å; C484-F545 HydrophobicContact CB-CE1 3.99Å; C484-F545 HydrophobicContact CB-CZ 3.98Å; C484-S546 PolarHBondContact N-O 3.25Å; C484-E547 CarbonylContact O-C 3.58Å; C484-E547 WeakPolarHBondContact O-CA 3.36Å; C484-V548 PolarHBondContact O-N 3.42Å
485	L	94.5	Very high	95.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	101.2	168.5	-179.6	65.2	0	0	0	107.7	F483 G490 I491 V548 F550 M562 F567	F483-L485 HydrophobicContact CD2-CB 4.28Å; F483-L485 HydrophobicContact CE2-CB 4.18Å; L485-G490 WeakPolarHBondContact O-CA 3.39Å; L485-I491 HydrophobicContact CB-CB 4.1Å; L485-I491 HydrophobicContact CD2-CB 4.38Å; L485-I491 HydrophobicContact CD2-CD1 4.19Å; L485-I491 PolarHBondContact N-O 2.95Å; L485-I491 PolarHBondContact O-N 2.72Å; L485-V548 WeakPolarHBondContact CD1-O 3.25Å; L485-F550 HydrophobicContact CD1-CD2 3.71Å; L485-F550 HydrophobicContact CD1-CE2 3.94Å; L485-M562 HydrophobicContact CD1-CB 4.42Å; L485-M562 HydrophobicContact CD1-CE 4.28Å; L485-M562 HydrophobicContact CD1-CG 3.86Å; L485-M562 HydrophobicContact CD1-SD 4.05Å; L485-M562 HydrophobicContact CG-CG 4.25Å; L485-F567 HydrophobicContact CD2-CD1 4.44Å; L485-F567 HydrophobicContact CD2-CD2 3.85Å; L485-F567 HydrophobicContact CD2-CE2 4.05Å; L485-F567 HydrophobicContact CD2-CG 4.05Å; L485-F567 HydrophobicContact CD2-CZ 4.42Å
486	P	92.2	Very high	95.1	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.013	13%	0.125	C	C	.	.			trans	-71.8	168.4	175.1	36.3	-36.3	0	0	0	110	I462 R468 C484 E547 V548 M562	I462-P486 WeakPolarHBondContact O-CB 3.45Å; R468-P486 VanDerWaalsContact CZ-CB 3.47Å; C484-P486 VanDerWaalsContact O-CD 3.32Å; C484-P486 WeakPolarHBondContact O-CD 3.43Å; P486-E547 HydrophobicContact CG-CG 3.86Å; P486-E547 WeakPolarHBondContact CG-OE1 3.33Å; P486-V548 WeakPolarHBondContact CD-O 3.46Å; P486-M562 HydrophobicContact CG-CE 3.82Å; P486-M562 WeakPolarHBondContact O-CE 3.32Å; P486-M562 WeakPolarHBondContact O-CG 3.48Å
487	G	88.5	Confident	95.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	103.9	-157.9	179.9	0	0	0	0	0	113.4	H461 I462 P489 G490	H461-G487 CarbonylContact C-O 3.55Å; H461-G487 WeakPolarHBondContact CA-O 3.48Å; H461-G487 VanDerWaalsContact CB-O 3.31Å; H461-G487 WeakPolarHBondContact CB-O 3.26Å; I462-G487 PolarHBondContact N-O 2.96Å; I462-G487 PolarHBondContact O-N 2.94Å; I462-G487 VanDerWaalsContact O-N 3.11Å; G487-P489 CarbonylContact C-O 3.55Å; G487-P489 CarbonylContact O-C 3.59Å; G487-P489 VanDerWaalsContact O-C 3.25Å; G487-G490 PolarHBondContact O-N 3.39Å
488	R	85.6	Confident	95	Very high	86 Å²	86	18 Å²	18	33%	0.325	8%	0.083	S	C	.	.	B	Isolated β-bridge	trans	-119.6	115.7	178.2	179.8	175.6	-179.9	169.5	3	110.5	H461 Y463	H461-R488 HydrophobicContact CB-CB 4.33Å; Y463-R488 VanDerWaalsContact OH-CB 3.28Å; Y463-R488 WeakPolarHBondContact OH-CB 3.4Å
489	P	90.2	Very high	94.9	Very high	14 Å²	14	18.3 Å²	18.3	9%	0.091	9%	0.089	C	C	.	.	S	Bend	cis	-70.5	163.1	-6.5	34.5	-38.6	0	0	0	112.1	Y458 G487 I491 F584	Y458-P489 HydrophobicContact CD2-CB 4.22Å; Y458-P489 HydrophobicContact CE2-CB 3.37Å; Y458-P489 HydrophobicContact CE2-CG 4.14Å; G487-P489 CarbonylContact C-O 3.55Å; G487-P489 CarbonylContact O-C 3.59Å; G487-P489 VanDerWaalsContact O-C 3.25Å; P489-I491 HydrophobicContact CG-CD1 4.22Å; P489-I491 HydrophobicContact CG-CG1 4.3Å; P489-F584 HydrophobicContact CG-CE1 3.89Å; P489-F584 HydrophobicContact CG-CZ 4.09Å
490	G	92.1	Very high	95	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.9	166	0	0	0	0	0	109.9	S459 L485 G487	S459-G490 PolarHBondContact N-O 3.48Å; S459-G490 PolarHBondContact O-N 3.49Å; S459-G490 VanDerWaalsContact O-O 3.09Å; L485-G490 WeakPolarHBondContact O-CA 3.39Å; G487-G490 PolarHBondContact O-N 3.39Å
491	I	95	Very high	94.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.5	178.3	-62	176.5	0	0	0	109	I457 F483 L485 P489 F567 Y583 F584	I457-I491 WeakPolarHBondContact O-CA 3.4Å; F483-I491 HydrophobicContact CE2-CG2 4.04Å; F483-I491 HydrophobicContact CZ-CG2 4.31Å; L485-I491 HydrophobicContact CB-CB 4.1Å; L485-I491 HydrophobicContact CD2-CB 4.38Å; L485-I491 HydrophobicContact CD2-CD1 4.19Å; L485-I491 PolarHBondContact N-O 2.95Å; L485-I491 PolarHBondContact O-N 2.72Å; P489-I491 HydrophobicContact CG-CD1 4.22Å; P489-I491 HydrophobicContact CG-CG1 4.3Å; I491-F567 HydrophobicContact CD1-CD1 4.34Å; I491-F567 HydrophobicContact CD1-CE1 3.5Å; I491-F567 VanDerWaalsContact CD1-CE1 3.5Å; I491-F567 HydrophobicContact CD1-CZ 3.67Å; I491-F567 HydrophobicContact CG2-CZ 4.31Å; I491-Y583 HydrophobicContact CD1-CD2 4.38Å; I491-Y583 HydrophobicContact CD1-CE2 4.46Å; I491-Y583 HydrophobicContact CD1-CG 4.42Å; I491-Y583 HydrophobicContact CG1-CE1 4.43Å; I491-Y583 HydrophobicContact CG2-CE1 4.39Å; I491-Y583 HydrophobicContact CG2-CE2 4.02Å; I491-Y583 WeakPolarHBondContact CG2-OH 3.35Å; I491-F584 HydrophobicContact CD1-CZ 4.05Å
492	I	97.5	Very high	94.7	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.2	174.2	-51.1	167	0	0	0	107.6	I457 I462 I471 F483 V494 F504 I508 F545	I457-I492 HydrophobicContact CB-CB 4.1Å; I457-I492 HydrophobicContact CG2-CD1 4.48Å; I457-I492 PolarHBondContact N-O 3.1Å; I457-I492 PolarHBondContact O-N 3.41Å; I462-I492 HydrophobicContact CD1-CD1 3.9Å; I462-I492 HydrophobicContact CD1-CG1 3.64Å; I471-I492 HydrophobicContact CD1-CD1 3.59Å; I471-I492 HydrophobicContact CD1-CG1 4.37Å; I471-I492 HydrophobicContact CG1-CD1 4.09Å; I471-I492 HydrophobicContact CG2-CG2 4.43Å; F483-I492 WeakPolarHBondContact O-CA 3.43Å; I492-V494 HydrophobicContact CG2-CG1 4.26Å; I492-F504 HydrophobicContact CG2-CE1 4.05Å; I492-F504 HydrophobicContact CG2-CZ 4.09Å; I492-I508 HydrophobicContact CD1-CG2 4.36Å; I492-F545 HydrophobicContact CG2-CE2 4.28Å; I492-F545 HydrophobicContact CG2-CZ 4.07Å
493	C	97.9	Very high	94.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.3	169.1	-176.4	0	0	0	0	108.3	F455 W456 G482 F483 F545	F455-C493 WeakPolarHBondContact O-CA 3.41Å; W456-C493 HydrophobicContact CD2-CB 4.42Å; W456-C493 HydrophobicContact CE3-CB 3.67Å; W456-C493 HydrophobicContact CH2-CB 4.23Å; W456-C493 VanDerWaalsContact CH2-SG 3.6Å; W456-C493 HydrophobicContact CZ3-CB 3.58Å; W456-C493 VanDerWaalsContact CZ3-SG 3.52Å; G482-C493 CarbonylContact C-O 3.25Å; G482-C493 VanDerWaalsContact CA-O 3.31Å; G482-C493 WeakPolarHBondContact CA-O 3.47Å; F483-C493 HydrophobicContact CD1-CB 3.68Å; F483-C493 HydrophobicContact CE1-CB 3.39Å; F483-C493 HydrophobicContact CG-CB 4.37Å; F483-C493 HydrophobicContact CZ-CB 3.88Å; F483-C493 PolarHBondContact N-O 2.96Å; F483-C493 PolarHBondContact O-N 2.91Å; C493-F545 VanDerWaalsContact O-CE2 3.3Å; C493-F545 WeakPolarHBondContact O-CE2 3.48Å
494	V	98.3	Very high	94.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.5	172	-70.2	0	0	0	0	111	R454 F455 L480 S481 I492 C501 F504 F545	R454-V494 CarbonylContact C-O 3.51Å; R454-V494 VanDerWaalsContact CA-O 3.27Å; R454-V494 WeakPolarHBondContact CA-O 3.19Å; F455-V494 HydrophobicContact CB-CG2 3.75Å; F455-V494 PolarHBondContact N-O 3.33Å; F455-V494 PolarHBondContact O-N 3.17Å; L480-V494 HydrophobicContact CB-CB 4.28Å; L480-V494 HydrophobicContact CB-CG1 4.38Å; L480-V494 HydrophobicContact CD1-CB 3.99Å; L480-V494 HydrophobicContact CD1-CG1 4.14Å; L480-V494 HydrophobicContact CD1-CG2 4.33Å; S481-V494 CarbonylContact O-C 3.52Å; S481-V494 WeakPolarHBondContact O-CA 3.23Å; I492-V494 HydrophobicContact CG2-CG1 4.26Å; V494-C501 HydrophobicContact CG2-CB 4.42Å; V494-F504 HydrophobicContact CB-CD1 4.46Å; V494-F504 HydrophobicContact CG1-CD1 3.84Å; V494-F504 HydrophobicContact CG1-CD2 4.33Å; V494-F504 HydrophobicContact CG1-CE1 3.52Å; V494-F504 HydrophobicContact CG1-CE2 4.06Å; V494-F504 HydrophobicContact CG1-CG 4.24Å; V494-F504 HydrophobicContact CG1-CZ 3.65Å; V494-F504 HydrophobicContact CG2-CD1 3.88Å; V494-F504 HydrophobicContact CG2-CE1 4.19Å; V494-F545 HydrophobicContact CG1-CD2 4.1Å; V494-F545 HydrophobicContact CG1-CE2 3.54Å; V494-F545 HydrophobicContact CG1-CZ 4.5Å
495	E	97.5	Very high	94.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.4	-178.1	-63.4	176.9	148.1	0	0	110.2	G453 R454 L480 S481 R540 K541 F542	G453-E495 WeakPolarHBondContact O-CA 3.43Å; R454-E495 HydrophobicContact CB-CG 4.02Å; R454-E495 WeakPolarHBondContact CD-OE1 3.09Å; R454-E495 HydrophobicContact CG-CG 3.65Å; R454-E495 IonicContact CZ-OE1 3.5Å; R454-E495 IonicContact NE-OE1 2.69Å; R454-E495 PolarHBondContact NE-OE1 2.93Å; R454-E495 IonicContact NH2-OE1 3.21Å; L480-E495 WeakPolarHBondContact CA-O 3.22Å; S481-E495 PolarHBondContact N-O 3.29Å; S481-E495 PolarHBondContact O-N 3.47Å; S481-E495 PolarHBondContact OG-OE2 2.86Å; E495-R540 HydrophobicContact CB-CG 4.22Å; E495-R540 VanDerWaalsContact OE2-CA 3.32Å; E495-R540 WeakPolarHBondContact OE2-CA 3.22Å; E495-K541 VanDerWaalsContact CD-N 3.35Å; E495-K541 WeakPolarHBondContact OE1-CB 3.41Å; E495-K541 PolarHBondContact OE1-N 3.45Å; E495-K541 VanDerWaalsContact OE1-N 3.16Å; E495-K541 PolarHBondContact OE2-N 3.27Å; E495-F542 HydrophobicContact CG-CD2 4.48Å; E495-F542 WeakPolarHBondContact OE2-CD2 3.35Å; E495-F542 PolarHBondContact OE2-N 2.87Å
496	G	96.6	Very high	94.2	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-153.8	-179.8	0	0	0	0	0	112.9	L452 G453	L452-G496 WeakPolarHBondContact CA-O 3.33Å; G453-G496 PolarHBondContact N-O 3.42Å; G453-G496 PolarHBondContact O-N 3.2Å
497	M	95.8	Very high	94.1	Very high	31 Å²	31	32 Å²	32	15%	0.153	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	137.3	165.4	-67.5	-58.8	118.5	0	0	109.6	L452 S499 D500 C501 L532 L536	L452-M497 HydrophobicContact CD2-CE 3.29Å; L452-M497 HydrophobicContact CD2-SD 4.32Å; L452-M497 HydrophobicContact CG-CE 4.48Å; M497-S499 VanDerWaalsContact C-N 3.26Å; M497-S499 PolarHBondContact O-N 3.37Å; M497-D500 HydrophobicContact CB-CB 4.21Å; M497-D500 PolarHBondContact O-N 3.22Å; M497-D500 VanDerWaalsContact O-N 3.13Å; M497-C501 PolarHBondContact O-N 3.15Å; M497-L532 HydrophobicContact CE-CD1 3.5Å; M497-L532 HydrophobicContact CE-CD2 3.97Å; M497-L532 HydrophobicContact CE-CG 3.81Å; M497-L532 HydrophobicContact SD-CD1 4.15Å; M497-L532 HydrophobicContact SD-CD2 4.37Å; M497-L536 HydrophobicContact CE-CD1 4.18Å; M497-L536 HydrophobicContact CE-CD2 4.48Å
498	R	95.7	Very high	94.3	Very high	86 Å²	86	31.9 Å²	31.9	33%	0.325	14%	0.138	S	C	.	.	H	α-helix	trans	-59.7	-40.7	-179.3	172.2	-166.3	164.2	80.7	4.9	110.4	N451 D500 C501 Q502 L523	N451-R498 HydrophobicContact CB-CB 4.37Å; N451-R498 WeakPolarHBondContact O-CA 3.26Å; N451-R498 WeakPolarHBondContact O-CB 3.47Å; N451-R498 PolarHBondContact O-N 2.9Å; R498-D500 VanDerWaalsContact C-N 3.28Å; R498-D500 PolarHBondContact O-N 2.83Å; R498-C501 PolarHBondContact O-N 3.49Å; R498-Q502 VanDerWaalsContact O-CB 3.29Å; R498-Q502 WeakPolarHBondContact O-CB 3.35Å; R498-Q502 PolarHBondContact O-N 3.38Å; R498-L523 HydrophobicContact CG-CD2 4.05Å
499	S	93.9	Very high	94.5	Very high	39 Å²	39	28.8 Å²	28.8	27%	0.273	13%	0.126	S	C	.	.	H	α-helix	trans	-60.4	-39.4	177.4	61.2	0	0	0	0	112.3	D450 M497 Q502 R503	D450-S499 PolarHBondContact OD1-N 3.27Å; D450-S499 WeakPolarHBondContact OD2-CB 3.22Å; D450-S499 PolarHBondContact OD2-N 2.94Å; D450-S499 VanDerWaalsContact OD2-N 3.11Å; D450-S499 PolarHBondContact OD2-OG 3.04Å; M497-S499 VanDerWaalsContact C-N 3.26Å; M497-S499 PolarHBondContact O-N 3.37Å; S499-Q502 WeakPolarHBondContact O-CB 3.21Å; S499-Q502 PolarHBondContact O-N 3.1Å; S499-R503 VanDerWaalsContact O-CG 3.32Å; S499-R503 WeakPolarHBondContact O-CG 3.36Å; S499-R503 PolarHBondContact O-N 3.45Å
500	D	96.2	Very high	94.2	Very high	35 Å²	35	29.9 Å²	29.9	19%	0.187	13%	0.134	C	C	.	.	H	α-helix	trans	-75.4	-39.8	179.7	-67.8	-34.2	0	0	0	112.3	F478 L480 M497 R498 Q502 R503 F504	F478-D500 HydrophobicContact CB-CB 4.19Å; L480-D500 HydrophobicContact CD2-CB 3.99Å; M497-D500 HydrophobicContact CB-CB 4.21Å; M497-D500 PolarHBondContact O-N 3.22Å; M497-D500 VanDerWaalsContact O-N 3.13Å; R498-D500 VanDerWaalsContact C-N 3.28Å; R498-D500 PolarHBondContact O-N 2.83Å; D500-Q502 VanDerWaalsContact C-N 3.25Å; D500-Q502 PolarHBondContact O-N 3.19Å; D500-R503 PolarHBondContact O-N 3.29Å; D500-R503 IonicContact OD1-NH1 2.98Å; D500-R503 PolarHBondContact OD1-NH1 3.34Å; D500-F504 VanDerWaalsContact O-CB 3.31Å; D500-F504 WeakPolarHBondContact O-CB 3.45Å; D500-F504 PolarHBondContact O-N 3.1Å
501	C	96.9	Very high	94.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.3	-40.1	168.4	-73.6	0	0	0	0	111.9	G453 F455 V494 M497 R498 W505	G453-C501 PolarHBondContact O-SG 3.47Å; F455-C501 HydrophobicContact CD1-CB 3.85Å; F455-C501 HydrophobicContact CD2-CB 4.15Å; F455-C501 HydrophobicContact CE1-CB 3.92Å; F455-C501 HydrophobicContact CE2-CB 4.22Å; F455-C501 HydrophobicContact CG-CB 3.98Å; F455-C501 HydrophobicContact CZ-CB 4.1Å; V494-C501 HydrophobicContact CG2-CB 4.42Å; M497-C501 PolarHBondContact O-N 3.15Å; R498-C501 PolarHBondContact O-N 3.49Å; C501-W505 WeakPolarHBondContact O-CB 3.37Å; C501-W505 PolarHBondContact O-N 3.48Å
502	Q	93.4	Very high	93.6	Very high	59 Å²	59	37.3 Å²	37.3	28%	0.276	17%	0.173	S	C	.	.	H	α-helix	trans	-67.5	-45.9	177.6	-178	63.4	32.5	0	0	111.8	F455 R498 S499 D500 F504 W505 E506	F455-Q502 HydrophobicContact CE2-CB 4.46Å; F455-Q502 HydrophobicContact CZ-CB 4.42Å; R498-Q502 VanDerWaalsContact O-CB 3.29Å; R498-Q502 WeakPolarHBondContact O-CB 3.35Å; R498-Q502 PolarHBondContact O-N 3.38Å; S499-Q502 WeakPolarHBondContact O-CB 3.21Å; S499-Q502 PolarHBondContact O-N 3.1Å; D500-Q502 VanDerWaalsContact C-N 3.25Å; D500-Q502 PolarHBondContact O-N 3.19Å; Q502-F504 VanDerWaalsContact C-N 3.35Å; Q502-F504 PolarHBondContact O-N 3.36Å; Q502-W505 PolarHBondContact O-N 3.31Å; Q502-E506 PolarHBondContact NE2-OE1 2.94Å; Q502-E506 WeakPolarHBondContact O-CG 3.36Å; Q502-E506 PolarHBondContact O-N 3.36Å
503	R	93.6	Very high	93	Very high	134 Å²	134	37.8 Å²	37.8	51%	0.506	18%	0.175	S	C	.	.	H	α-helix	trans	-61.4	-42.9	175.5	-73.4	170.2	-179.5	155.1	-2.8	111.9	F478 S499 D500 E506 R507	F478-R503 HydrophobicContact CE1-CB 4.02Å; F478-R503 HydrophobicContact CE2-CB 4.41Å; F478-R503 HydrophobicContact CZ-CB 3.94Å; S499-R503 VanDerWaalsContact O-CG 3.32Å; S499-R503 WeakPolarHBondContact O-CG 3.36Å; S499-R503 PolarHBondContact O-N 3.45Å; D500-R503 PolarHBondContact O-N 3.29Å; D500-R503 IonicContact OD1-NH1 2.98Å; D500-R503 PolarHBondContact OD1-NH1 3.34Å; R503-E506 PolarHBondContact O-N 3.23Å; R503-R507 WeakPolarHBondContact O-CB 3.18Å; R503-R507 PolarHBondContact O-N 3.02Å
504	F	96.8	Very high	92.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.3	-50.4	173	177.2	-84.9	0	0	0	110.7	I457 I471 M474 F478 L480 I492 V494 D500 Q502 E506 R507 I508	I457-F504 HydrophobicContact CD1-CD1 4.23Å; I457-F504 HydrophobicContact CD1-CE1 3.95Å; I471-F504 HydrophobicContact CG2-CZ 4.27Å; M474-F504 HydrophobicContact CB-CD2 4.18Å; M474-F504 HydrophobicContact CB-CE2 4.09Å; M474-F504 HydrophobicContact CG-CD2 3.76Å; M474-F504 HydrophobicContact CG-CE2 4.15Å; M474-F504 HydrophobicContact SD-CD2 4.14Å; M474-F504 HydrophobicContact SD-CE2 4.47Å; F478-F504 HydrophobicContact CD2-CB 3.96Å; F478-F504 HydrophobicContact CD2-CD2 4.28Å; F478-F504 HydrophobicContact CE2-CB 4.37Å; L480-F504 HydrophobicContact CD1-CB 3.53Å; L480-F504 HydrophobicContact CD1-CD2 3.85Å; L480-F504 HydrophobicContact CD1-CG 3.75Å; I492-F504 HydrophobicContact CG2-CE1 4.05Å; I492-F504 HydrophobicContact CG2-CZ 4.09Å; V494-F504 HydrophobicContact CB-CD1 4.46Å; V494-F504 HydrophobicContact CG1-CD1 3.84Å; V494-F504 HydrophobicContact CG1-CD2 4.33Å; V494-F504 HydrophobicContact CG1-CE1 3.52Å; V494-F504 HydrophobicContact CG1-CE2 4.06Å; V494-F504 HydrophobicContact CG1-CG 4.24Å; V494-F504 HydrophobicContact CG1-CZ 3.65Å; V494-F504 HydrophobicContact CG2-CD1 3.88Å; V494-F504 HydrophobicContact CG2-CE1 4.19Å; D500-F504 VanDerWaalsContact O-CB 3.31Å; D500-F504 WeakPolarHBondContact O-CB 3.45Å; D500-F504 PolarHBondContact O-N 3.1Å; Q502-F504 VanDerWaalsContact C-N 3.35Å; Q502-F504 PolarHBondContact O-N 3.36Å; F504-E506 PolarHBondContact O-N 3.37Å; F504-R507 PolarHBondContact O-N 3.47Å; F504-I508 HydrophobicContact CD1-CG1 3.99Å; F504-I508 HydrophobicContact CD2-CG1 4.41Å; F504-I508 HydrophobicContact CE1-CG1 3.63Å; F504-I508 HydrophobicContact CE2-CD1 4.37Å; F504-I508 HydrophobicContact CE2-CG1 4.09Å; F504-I508 HydrophobicContact CG-CG1 4.36Å; F504-I508 HydrophobicContact CZ-CD1 4.14Å; F504-I508 HydrophobicContact CZ-CG1 3.67Å; F504-I508 WeakPolarHBondContact O-CB 3.38Å; F504-I508 VanDerWaalsContact O-CG1 3.31Å; F504-I508 WeakPolarHBondContact O-CG1 3.44Å; F504-I508 PolarHBondContact O-N 3.47Å
505	W	95	Very high	91.3	Very high	13 Å²	13	44.2 Å²	44.2	5%	0.049	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-47.5	179.2	170	-129.6	0	0	0	112.6	F455 I457 C501 Q502 R507 I508 R509 I516 L518	F455-W505 HydrophobicContact CD2-CB 3.97Å; F455-W505 HydrophobicContact CD2-CG 4.46Å; F455-W505 HydrophobicContact CE2-CB 4.09Å; I457-W505 HydrophobicContact CD1-CE3 3.76Å; I457-W505 HydrophobicContact CD1-CZ3 4.38Å; I457-W505 HydrophobicContact CG1-CE3 3.93Å; I457-W505 HydrophobicContact CG1-CZ3 4.22Å; I457-W505 HydrophobicContact CG2-CE3 4.18Å; I457-W505 HydrophobicContact CG2-CZ3 3.68Å; C501-W505 WeakPolarHBondContact O-CB 3.37Å; C501-W505 PolarHBondContact O-N 3.48Å; Q502-W505 PolarHBondContact O-N 3.31Å; W505-R507 VanDerWaalsContact C-N 3.27Å; W505-R507 PolarHBondContact O-N 3.22Å; W505-I508 PolarHBondContact O-N 3.15Å; W505-R509 HydrophobicContact CD2-CB 4.18Å; W505-R509 HydrophobicContact CE3-CB 4.04Å; W505-R509 HydrophobicContact CH2-CB 3.87Å; W505-R509 HydrophobicContact CH2-CG 3.73Å; W505-R509 HydrophobicContact CZ2-CB 4.03Å; W505-R509 HydrophobicContact CZ2-CG 3.77Å; W505-R509 HydrophobicContact CZ3-CB 3.87Å; W505-R509 HydrophobicContact CZ3-CG 4.24Å; W505-R509 WeakPolarHBondContact O-CB 3.35Å; W505-R509 PolarHBondContact O-N 2.89Å; W505-I516 HydrophobicContact CH2-CD1 4.48Å; W505-I516 HydrophobicContact CH2-CG1 4.02Å; W505-I516 HydrophobicContact CH2-CG2 4.15Å; W505-I516 HydrophobicContact CZ3-CD1 3.8Å; W505-I516 HydrophobicContact CZ3-CG1 3.76Å; W505-I516 HydrophobicContact CZ3-CG2 4.45Å; W505-L518 HydrophobicContact CD2-CB 4.25Å; W505-L518 HydrophobicContact CH2-CB 4.43Å; W505-L518 HydrophobicContact CZ2-CB 3.81Å
506	E	88.5	Confident	90.9	Very high	60 Å²	60	44.2 Å²	44.2	28%	0.28	20%	0.201	S	C	.	.	H	α-helix	trans	-58.6	-41.2	178.9	-74.8	173.9	-173.2	0	0	111.9	Q502 R503 F504 S510	Q502-E506 PolarHBondContact NE2-OE1 2.94Å; Q502-E506 WeakPolarHBondContact O-CG 3.36Å; Q502-E506 PolarHBondContact O-N 3.36Å; R503-E506 PolarHBondContact O-N 3.23Å; F504-E506 PolarHBondContact O-N 3.37Å; E506-S510 PolarHBondContact O-N 3.37Å
507	R	90.1	Very high	90.4	Very high	111 Å²	111	44.3 Å²	44.3	42%	0.419	20%	0.202	S	C	.	.	H	α-helix	trans	-71.5	-48.9	179.7	-168	68.5	63.8	172	2	111.8	M474 R503 F504 W505 R509 S510 W511	M474-R507 HydrophobicContact CE-CB 4.06Å; M474-R507 HydrophobicContact CE-CG 3.27Å; M474-R507 HydrophobicContact SD-CB 3.6Å; M474-R507 HydrophobicContact SD-CG 3.55Å; M474-R507 VanDerWaalsContact SD-CG 3.55Å; R503-R507 WeakPolarHBondContact O-CB 3.18Å; R503-R507 PolarHBondContact O-N 3.02Å; F504-R507 PolarHBondContact O-N 3.47Å; W505-R507 VanDerWaalsContact C-N 3.27Å; W505-R507 PolarHBondContact O-N 3.22Å; R507-R509 PolarHBondContact O-N 3.29Å; R507-S510 WeakPolarHBondContact O-CB 3.48Å; R507-S510 PolarHBondContact O-N 2.98Å; R507-S510 PolarHBondContact O-OG 2.89Å; R507-W511 PolarHBondContact O-NE1 3.04Å
508	I	93	Very high	90.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-44.2	177.7	-66.5	-61.2	0	0	0	110.8	I471 M474 I492 F504 W505 S510 W511 W513 I516	I471-I508 HydrophobicContact CG1-CD1 3.74Å; M474-I508 HydrophobicContact CE-CD1 4.34Å; M474-I508 HydrophobicContact SD-CD1 3.77Å; M474-I508 HydrophobicContact SD-CG1 3.95Å; I492-I508 HydrophobicContact CD1-CG2 4.36Å; F504-I508 HydrophobicContact CD1-CG1 3.99Å; F504-I508 HydrophobicContact CD2-CG1 4.41Å; F504-I508 HydrophobicContact CE1-CG1 3.63Å; F504-I508 HydrophobicContact CE2-CD1 4.37Å; F504-I508 HydrophobicContact CE2-CG1 4.09Å; F504-I508 HydrophobicContact CG-CG1 4.36Å; F504-I508 HydrophobicContact CZ-CD1 4.14Å; F504-I508 HydrophobicContact CZ-CG1 3.67Å; F504-I508 WeakPolarHBondContact O-CB 3.38Å; F504-I508 VanDerWaalsContact O-CG1 3.31Å; F504-I508 WeakPolarHBondContact O-CG1 3.44Å; F504-I508 PolarHBondContact O-N 3.47Å; W505-I508 PolarHBondContact O-N 3.15Å; I508-S510 PolarHBondContact O-N 3.11Å; I508-W511 HydrophobicContact CD1-CD2 4.32Å; I508-W511 HydrophobicContact CD1-CE3 3.91Å; I508-W511 HydrophobicContact CD1-CH2 3.15Å; I508-W511 HydrophobicContact CD1-CZ2 3.64Å; I508-W511 HydrophobicContact CD1-CZ3 3.32Å; I508-W511 WeakPolarHBondContact O-CB 3.22Å; I508-W511 PolarHBondContact O-N 3.28Å; I508-W511 VanDerWaalsContact O-N 3.16Å; I508-W513 HydrophobicContact CG2-CZ2 3.76Å; I508-W513 PolarHBondContact O-NE1 3.24Å; I508-I516 HydrophobicContact CG2-CD1 3.62Å
509	R	90.2	Very high	89.6	Confident	20 Å²	20	43.2 Å²	43.2	8%	0.075	20%	0.2	C	C	.	.	H	α-helix	trans	-61.3	-29.1	179.9	-169.2	-174.2	-169.3	175.5	0.4	112.9	F381 R383 W505 R507 W511 I516	F381-R509 HydrophobicContact CD1-CG 4.15Å; F381-R509 HydrophobicContact CD2-CG 4.34Å; F381-R509 HydrophobicContact CE1-CG 4.17Å; F381-R509 HydrophobicContact CE2-CG 4.36Å; F381-R509 HydrophobicContact CG-CG 4.24Å; F381-R509 HydrophobicContact CZ-CB 4.49Å; F381-R509 HydrophobicContact CZ-CG 4.28Å; R383-R509 PolarHBondContact NE-O 3.04Å; R383-R509 PolarHBondContact NH2-O 3.28Å; R383-R509 VanDerWaalsContact NH2-O 3.17Å; W505-R509 HydrophobicContact CD2-CB 4.18Å; W505-R509 HydrophobicContact CE3-CB 4.04Å; W505-R509 HydrophobicContact CH2-CB 3.87Å; W505-R509 HydrophobicContact CH2-CG 3.73Å; W505-R509 HydrophobicContact CZ2-CB 4.03Å; W505-R509 HydrophobicContact CZ2-CG 3.77Å; W505-R509 HydrophobicContact CZ3-CB 3.87Å; W505-R509 HydrophobicContact CZ3-CG 4.24Å; W505-R509 WeakPolarHBondContact O-CB 3.35Å; W505-R509 PolarHBondContact O-N 2.89Å; R507-R509 PolarHBondContact O-N 3.29Å; R509-W511 VanDerWaalsContact C-N 3.27Å; R509-W511 PolarHBondContact O-N 2.89Å; R509-I516 HydrophobicContact CG-CG2 4.16Å
510	S	85.2	Confident	89.4	Confident	37 Å²	37	44 Å²	44	26%	0.259	20%	0.199	S	C	.	.	H	α-helix	trans	-69.9	-19.8	179.3	78.6	0	0	0	0	114.3	E506 R507 I508	E506-S510 PolarHBondContact O-N 3.37Å; R507-S510 WeakPolarHBondContact O-CB 3.48Å; R507-S510 PolarHBondContact O-N 2.98Å; R507-S510 PolarHBondContact O-OG 2.89Å; I508-S510 PolarHBondContact O-N 3.11Å
511	W	89.5	Confident	89.2	Confident	60 Å²	60	46.5 Å²	46.5	23%	0.227	21%	0.21	C	C	.	.	S	Bend	trans	-69.6	165.6	175.6	-54.1	-15.8	0	0	0	111	R383 K467 I471 M474 R507 I508 R509 W513	R383-W511 PolarHBondContact NE-O 3.43Å; K467-W511 HydrophobicContact CB-CE3 4.37Å; K467-W511 HydrophobicContact CB-CZ3 4.16Å; K467-W511 HydrophobicContact CG-CE3 4.07Å; K467-W511 HydrophobicContact CG-CZ3 4.33Å; I471-W511 HydrophobicContact CG1-CH2 4.32Å; I471-W511 HydrophobicContact CG1-CZ3 3.92Å; M474-W511 HydrophobicContact CE-CH2 4.2Å; M474-W511 HydrophobicContact CE-CZ2 3.47Å; M474-W511 VanDerWaalsContact CE-CZ2 3.47Å; M474-W511 HydrophobicContact SD-CZ2 4.5Å; R507-W511 PolarHBondContact O-NE1 3.04Å; I508-W511 HydrophobicContact CD1-CD2 4.32Å; I508-W511 HydrophobicContact CD1-CE3 3.91Å; I508-W511 HydrophobicContact CD1-CH2 3.15Å; I508-W511 HydrophobicContact CD1-CZ2 3.64Å; I508-W511 HydrophobicContact CD1-CZ3 3.32Å; I508-W511 WeakPolarHBondContact O-CB 3.22Å; I508-W511 PolarHBondContact O-N 3.28Å; I508-W511 VanDerWaalsContact O-N 3.16Å; R509-W511 VanDerWaalsContact C-N 3.27Å; R509-W511 PolarHBondContact O-N 2.89Å; W511-W513 AromaticContact CE3-CZ2 3.77Å; W511-W513 HydrophobicContact CE3-CZ2 3.77Å; W511-W513 HydrophobicContact CZ3-CZ2 4.4Å; W511-W513 PolarHBondContact O-N 3.3Å
512	T	83.3	Confident	89.1	Confident	97 Å²	97	48.5 Å²	48.5	60%	0.595	22%	0.219	S	C	*	.			trans	-69.9	123.5	174.5	24	0	0	0	0	110.2	K467	K467-T512 WeakPolarHBondContact CE-O 3.12Å; K467-T512 PolarHBondContact NZ-O 3.24Å
513	W	84.8	Confident	89.1	Confident	10 Å²	10	49.8 Å²	49.8	4%	0.038	23%	0.227	C	C	.	.			trans	-140.6	135	176.5	-62	95.8	0	0	0	110.1	R383 S459 I462 K467 I471 I508 W511 R515 I516	R383-W513 PolarHBondContact NH1-O 3.17Å; S459-W513 VanDerWaalsContact OG-CE3 3.26Å; S459-W513 WeakPolarHBondContact OG-CZ3 3.45Å; I462-W513 HydrophobicContact CG1-CH2 4.08Å; I462-W513 HydrophobicContact CG1-CZ3 3.77Å; K467-W513 HydrophobicContact CB-CH2 4.49Å; K467-W513 HydrophobicContact CD-CE3 4.34Å; K467-W513 HydrophobicContact CD-CH2 3.78Å; K467-W513 HydrophobicContact CD-CZ2 4.07Å; K467-W513 HydrophobicContact CD-CZ3 3.91Å; I471-W513 HydrophobicContact CD1-CH2 4.35Å; I508-W513 HydrophobicContact CG2-CZ2 3.76Å; I508-W513 PolarHBondContact O-NE1 3.24Å; W511-W513 AromaticContact CE3-CZ2 3.77Å; W511-W513 HydrophobicContact CE3-CZ2 3.77Å; W511-W513 HydrophobicContact CZ3-CZ2 4.4Å; W511-W513 PolarHBondContact O-N 3.3Å; W513-R515 PolarHBondContact O-N 2.93Å; W513-I516 HydrophobicContact CB-CB 3.97Å; W513-I516 HydrophobicContact CB-CG2 3.96Å; W513-I516 HydrophobicContact CD2-CB 4.07Å; W513-I516 HydrophobicContact CD2-CD1 3.78Å; W513-I516 HydrophobicContact CD2-CG1 4.41Å; W513-I516 HydrophobicContact CD2-CG2 4.44Å; W513-I516 VanDerWaalsContact CE2-CD1 3.44Å; W513-I516 HydrophobicContact CE3-CD1 4.33Å; W513-I516 HydrophobicContact CG-CB 3.76Å; W513-I516 HydrophobicContact CG-CD1 4.16Å; W513-I516 HydrophobicContact CG-CG2 3.73Å; W513-I516 HydrophobicContact CH2-CD1 4.3Å; W513-I516 HydrophobicContact CZ2-CD1 3.75Å
514	K	80.3	Confident	89.1	Confident	85 Å²	85	44.9 Å²	44.9	37%	0.37	22%	0.216	S	C	.	.	S	Bend	trans	-54.7	-40	165.8	-175.7	159.6	176.6	169.4	0	111.5	D266	D266-K514 IonicContact OD1-NZ 3.53Å; D266-K514 PolarHBondContact OD1-NZ 2.94Å
515	R	81.4	Confident	88.8	Confident	50 Å²	50	50 Å²	50	19%	0.189	25%	0.247	C	C	.	.			trans	-162.1	134.8	169.2	-176.6	175.1	175.3	-177.2	-1	110	D323 D348 F350 S459 H460 W513 L517	D323-R515 IonicContact OD2-NH1 3.98Å; D323-R515 PolarHBondContact OD2-NH1 3.34Å; D323-R515 VanDerWaalsContact OD2-NH1 3.15Å; D348-R515 IonicContact OD2-CZ 3.47Å; D348-R515 IonicContact OD2-NE 3.83Å; D348-R515 PolarHBondContact OD2-NE 3.48Å; D348-R515 VanDerWaalsContact OD2-NE 3.07Å; D348-R515 IonicContact OD2-NH2 3.69Å; D348-R515 PolarHBondContact OD2-NH2 3.41Å; F350-R515 HydrophobicContact CZ-CB 4.41Å; F350-R515 HydrophobicContact CZ-CG 4.29Å; S459-R515 VanDerWaalsContact CA-O 3.31Å; S459-R515 WeakPolarHBondContact CA-O 3.28Å; S459-R515 PolarHBondContact OG-O 3.29Å; H460-R515 HydrophobicContact CB-CB 4.05Å; H460-R515 PolarHBondContact N-O 2.97Å; H460-R515 VanDerWaalsContact N-O 3.1Å; W513-R515 PolarHBondContact O-N 2.93Å; R515-L517 HydrophobicContact CG-CD1 4.46Å; R515-L517 HydrophobicContact CG-CG 4.47Å
516	I	89.6	Confident	88.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	138.4	171.6	-163.6	172.6	0	0	0	111.1	Q365 I457 Y458 W505 I508 R509 W513	Q365-I516 PolarHBondContact NE2-O 3.11Å; I457-I516 HydrophobicContact CG2-CD1 3.91Å; I457-I516 HydrophobicContact CG2-CG1 3.77Å; Y458-I516 CarbonylContact O-C 3.55Å; Y458-I516 VanDerWaalsContact O-CA 3.28Å; Y458-I516 WeakPolarHBondContact O-CA 3.38Å; Y458-I516 WeakPolarHBondContact O-CG1 3.26Å; W505-I516 HydrophobicContact CH2-CD1 4.48Å; W505-I516 HydrophobicContact CH2-CG1 4.02Å; W505-I516 HydrophobicContact CH2-CG2 4.15Å; W505-I516 HydrophobicContact CZ3-CD1 3.8Å; W505-I516 HydrophobicContact CZ3-CG1 3.76Å; W505-I516 HydrophobicContact CZ3-CG2 4.45Å; I508-I516 HydrophobicContact CG2-CD1 3.62Å; R509-I516 HydrophobicContact CG-CG2 4.16Å; W513-I516 HydrophobicContact CB-CB 3.97Å; W513-I516 HydrophobicContact CB-CG2 3.96Å; W513-I516 HydrophobicContact CD2-CB 4.07Å; W513-I516 HydrophobicContact CD2-CD1 3.78Å; W513-I516 HydrophobicContact CD2-CG1 4.41Å; W513-I516 HydrophobicContact CD2-CG2 4.44Å; W513-I516 VanDerWaalsContact CE2-CD1 3.44Å; W513-I516 HydrophobicContact CE3-CD1 4.33Å; W513-I516 HydrophobicContact CG-CB 3.76Å; W513-I516 HydrophobicContact CG-CD1 4.16Å; W513-I516 HydrophobicContact CG-CG2 3.73Å; W513-I516 HydrophobicContact CH2-CD1 4.3Å; W513-I516 HydrophobicContact CZ2-CD1 3.75Å
517	L	85.1	Confident	88.5	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	145.1	-173.6	-57.6	163.1	0	0	0	110.7	D348 Q365 I457 Y458 R515 K519	D348-L517 WeakPolarHBondContact OD1-CD2 3.28Å; D348-L517 WeakPolarHBondContact OD2-CD1 3.41Å; Q365-L517 VanDerWaalsContact NE2-CD2 3.34Å; I457-L517 CarbonylContact C-O 3.57Å; I457-L517 VanDerWaalsContact CA-O 3.28Å; I457-L517 WeakPolarHBondContact CA-O 3.21Å; I457-L517 WeakPolarHBondContact CG2-O 3.26Å; Y458-L517 HydrophobicContact CD1-CD1 4.31Å; Y458-L517 PolarHBondContact N-O 2.94Å; Y458-L517 PolarHBondContact O-N 3.39Å; R515-L517 HydrophobicContact CG-CD1 4.46Å; R515-L517 HydrophobicContact CG-CG 4.47Å; L517-K519 PolarHBondContact O-N 2.85Å
518	L	88.9	Confident	88.1	Confident	32 Å²	32	53.1 Å²	53.1	17%	0.168	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	93.2	162.6	-179.9	61.4	0	0	0	108	F455 I457 W505 H520	F455-L518 HydrophobicContact CB-CD1 3.62Å; F455-L518 HydrophobicContact CD2-CD1 3.61Å; F455-L518 HydrophobicContact CD2-CD2 3.8Å; F455-L518 HydrophobicContact CD2-CG 4.38Å; F455-L518 HydrophobicContact CE2-CD1 4.46Å; F455-L518 HydrophobicContact CE2-CD2 3.81Å; F455-L518 HydrophobicContact CG-CD1 3.73Å; F455-L518 HydrophobicContact CG-CD2 4.41Å; F455-L518 HydrophobicContact CZ-CD2 4.44Å; I457-L518 HydrophobicContact CG1-CD1 3.88Å; W505-L518 HydrophobicContact CD2-CB 4.25Å; W505-L518 HydrophobicContact CH2-CB 4.43Å; W505-L518 HydrophobicContact CZ2-CB 3.81Å; L518-H520 WeakPolarHBondContact CD1-O 3.25Å
519	K	86.7	Confident	87.8	Confident	61 Å²	61	61 Å²	61	27%	0.265	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-38.7	-171.2	-170.4	64.1	175.6	179.9	0	112.8	W456 L517 M582 Y583	W456-K519 WeakPolarHBondContact O-CA 3.22Å; W456-K519 WeakPolarHBondContact O-CB 3.11Å; W456-K519 PolarHBondContact O-N 3.17Å; L517-K519 PolarHBondContact O-N 2.85Å; K519-M582 WeakPolarHBondContact CE-O 3.11Å; K519-Y583 HydrophobicContact CB-CD1 4.21Å; K519-Y583 HydrophobicContact CB-CE1 3.77Å; K519-Y583 HydrophobicContact CG-CD1 3.84Å; K519-Y583 HydrophobicContact CG-CE1 3.92Å
520	H	89	Confident	87.6	Confident	57 Å²	57	63.8 Å²	63.8	26%	0.264	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156.8	178.2	-172	62.2	0	0	0	109.8	W456 L518 M582	W456-H520 HydrophobicContact CB-CB 3.98Å; W456-H520 WeakPolarHBondContact CB-O 3.35Å; W456-H520 AromaticContact CD1-CD2 3.71Å; W456-H520 HydrophobicContact CG-CB 4.33Å; W456-H520 PolarHBondContact N-O 3.38Å; W456-H520 PolarHBondContact O-N 3.2Å; L518-H520 WeakPolarHBondContact CD1-O 3.25Å; H520-M582 HydrophobicContact CB-SD 4.07Å
521	H	92.7	Very high	87.8	Confident	87 Å²	87	66.2 Å²	66.2	40%	0.403	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	145.7	168	66.8	-80	0	0	0	110	R454 F455	R454-H521 CarbonylContact O-C 3.56Å; R454-H521 WeakPolarHBondContact O-CA 3.41Å; F455-H521 HydrophobicContact CD1-CB 3.75Å; F455-H521 HydrophobicContact CE1-CB 3.97Å; F455-H521 HydrophobicContact CG-CB 4.37Å
522	E	93.8	Very high	87.7	Confident	42 Å²	42	66.8 Å²	66.8	20%	0.196	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.3	176.8	-56.5	171.5	-135.9	0	0	108.4	G453 R454 W456 H578	G453-E522 WeakPolarHBondContact CA-O 3.27Å; R454-E522 HydrophobicContact CB-CB 4.27Å; R454-E522 IonicContact CZ-OE2 3.11Å; R454-E522 PolarHBondContact N-O 3.29Å; R454-E522 IonicContact NH1-OE1 2.96Å; R454-E522 PolarHBondContact NH1-OE1 3.29Å; R454-E522 IonicContact NH1-OE2 3.14Å; R454-E522 PolarHBondContact NH1-OE2 3.48Å; R454-E522 PolarHBondContact O-N 2.88Å; W456-E522 PolarHBondContact NE1-OE1 2.89Å; E522-H578 IonicContact OE1-NE2 3.04Å
523	L	93.5	Very high	88	Confident	85 Å²	85	68.6 Å²	68.6	45%	0.445	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.6	-179	-56.4	175.1	0	0	0	109.8	L452 R498	L452-L523 WeakPolarHBondContact O-CA 3.3Å; R498-L523 HydrophobicContact CG-CD2 4.05Å
524	A	92.9	Very high	88.3	Confident	32 Å²	32	70.3 Å²	70.3	26%	0.264	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	137	170	0	0	0	0	0	109.7	N451 L452 F539	N451-A524 WeakPolarHBondContact CB-O 3.34Å; L452-A524 HydrophobicContact CB-CB 4.17Å; L452-A524 PolarHBondContact N-O 3.48Å; L452-A524 PolarHBondContact O-N 2.89Å; A524-F539 HydrophobicContact CB-CD2 3.65Å; A524-F539 HydrophobicContact CB-CE2 3.63Å
525	V	92	Very high	88.9	Confident	108 Å²	108	67.1 Å²	67.1	66%	0.655	37%	0.368	S	S	*	.			trans	-74.9	134.6	179.6	-179.3	0	0	0	0	109.1	N451 E527	N451-V525 WeakPolarHBondContact OD1-CA 3.44Å; V525-E527 PolarHBondContact O-N 3.17Å
526	V	89	Confident	89.4	Confident	27 Å²	27	65.7 Å²	65.7	16%	0.164	36%	0.364	C	S	.	.			trans	-77	114.3	171.9	171	0	0	0	0	108.1	V449 D450 L452 L532	V449-V526 HydrophobicContact CG1-CB 3.96Å; V449-V526 HydrophobicContact CG1-CG1 4.36Å; D450-V526 WeakPolarHBondContact O-CB 3.41Å; D450-V526 WeakPolarHBondContact O-CG2 3.47Å; L452-V526 HydrophobicContact CD1-CG2 4.49Å; L452-V526 HydrophobicContact CG-CG2 3.94Å; V526-L532 HydrophobicContact CG1-CD1 3.96Å; V526-L532 HydrophobicContact CG2-CD1 4.1Å
527	E	86.6	Confident	89.5	Confident	119 Å²	119	69.1 Å²	69.1	56%	0.556	39%	0.392	S	S	*	.			trans	-84.4	133.5	175.9	-50.2	177.2	163	0	0	110	V525 D529 I530 Q535	V525-E527 PolarHBondContact O-N 3.17Å; E527-D529 VanDerWaalsContact C-N 3.28Å; E527-D529 PolarHBondContact O-N 2.51Å; E527-I530 WeakPolarHBondContact OE2-CD1 3.42Å; E527-Q535 VanDerWaalsContact CB-NE2 3.29Å; E527-Q535 PolarHBondContact O-NE2 2.98Å; E527-Q535 PolarHBondContact O-OE1 3.05Å
528	A	82.8	Confident	89.9	Confident	103 Å²	103	72.6 Å²	72.6	85%	0.851	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.5	-173.5	0	0	0	0	0	114.7
529	D	86.1	Confident	90.2	Very high	164 Å²	164	72.2 Å²	72.2	88%	0.877	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-10	-173.6	-64	-31.2	0	0	0	113.7	E527	E527-D529 VanDerWaalsContact C-N 3.28Å; E527-D529 PolarHBondContact O-N 2.51Å
530	I	86.5	Confident	90.6	Very high	80 Å²	80	71.8 Å²	71.8	41%	0.41	42%	0.415	S	S	.	.	S	Bend	trans	-116.6	144.2	-177.4	-50.7	175.4	0	0	0	108.4	E527 A534 Q535	E527-I530 WeakPolarHBondContact OE2-CD1 3.42Å; I530-A534 HydrophobicContact CG2-CB 4.05Å; I530-Q535 HydrophobicContact CB-CG 3.76Å; I530-Q535 HydrophobicContact CG2-CG 3.62Å
531	T	89.3	Confident	90.9	Very high	87 Å²	87	72.8 Å²	72.8	53%	0.534	42%	0.419	S	S	.	.			trans	-63.5	141.3	175.6	65.5	0	0	0	0	110.9	E533 A534 Q535	T531-E533 PolarHBondContact O-N 3.19Å; T531-A534 PolarHBondContact O-N 2.91Å; T531-A534 VanDerWaalsContact O-N 3.09Å; T531-A534 VanDerWaalsContact OG1-CB 3.29Å; T531-A534 WeakPolarHBondContact OG1-CB 3.37Å; T531-A534 PolarHBondContact OG1-N 3.35Å; T531-Q535 PolarHBondContact O-N 3.41Å
532	L	88.3	Confident	91	Very high	72 Å²	72	69 Å²	69	38%	0.377	40%	0.402	S	S	.	.	H	α-helix	trans	-57.3	-39.3	-178.2	-172.9	64.8	0	0	0	111.5	M497 V526 A534 Q535 L536	M497-L532 HydrophobicContact CE-CD1 3.5Å; M497-L532 HydrophobicContact CE-CD2 3.97Å; M497-L532 HydrophobicContact CE-CG 3.81Å; M497-L532 HydrophobicContact SD-CD1 4.15Å; M497-L532 HydrophobicContact SD-CD2 4.37Å; V526-L532 HydrophobicContact CG1-CD1 3.96Å; V526-L532 HydrophobicContact CG2-CD1 4.1Å; L532-A534 VanDerWaalsContact C-N 3.35Å; L532-A534 PolarHBondContact O-N 3.44Å; L532-Q535 PolarHBondContact O-N 2.92Å; L532-L536 WeakPolarHBondContact O-CB 3.46Å; L532-L536 PolarHBondContact O-N 3.49Å
533	E	89.4	Confident	90.9	Very high	136 Å²	136	74.5 Å²	74.5	64%	0.636	43%	0.432	S	S	*	.	H	α-helix	trans	-64.5	-38.8	179.4	-61.7	76.5	-167.3	0	0	111.9	T531 A537	T531-E533 PolarHBondContact O-N 3.19Å; E533-A537 VanDerWaalsContact O-CB 3.24Å; E533-A537 WeakPolarHBondContact O-CB 2.9Å; E533-A537 PolarHBondContact O-N 3.36Å
534	A	91.4	Very high	90.9	Very high	45 Å²	45	74 Å²	74	37%	0.372	44%	0.436	S	S	.	.	H	α-helix	trans	-70.9	-40.4	178.3	0	0	0	0	0	111.2	I530 T531 L532 A537 A538	I530-A534 HydrophobicContact CG2-CB 4.05Å; T531-A534 PolarHBondContact O-N 2.91Å; T531-A534 VanDerWaalsContact O-N 3.09Å; T531-A534 VanDerWaalsContact OG1-CB 3.29Å; T531-A534 WeakPolarHBondContact OG1-CB 3.37Å; T531-A534 PolarHBondContact OG1-N 3.35Å; L532-A534 VanDerWaalsContact C-N 3.35Å; L532-A534 PolarHBondContact O-N 3.44Å; A534-A537 PolarHBondContact O-N 2.81Å; A534-A538 WeakPolarHBondContact O-CB 3.36Å; A534-A538 PolarHBondContact O-N 3.41Å
535	Q	92	Very high	91.1	Very high	19 Å²	19	73.4 Å²	73.4	9%	0.089	43%	0.428	C	S	.	.	H	α-helix	trans	-65.4	-43	174.8	-68.1	176.3	-44.1	0	0	111.9	L452 E527 I530 T531 L532 A538 F539	L452-Q535 HydrophobicContact CD1-CB 4.11Å; E527-Q535 VanDerWaalsContact CB-NE2 3.29Å; E527-Q535 PolarHBondContact O-NE2 2.98Å; E527-Q535 PolarHBondContact O-OE1 3.05Å; I530-Q535 HydrophobicContact CB-CG 3.76Å; I530-Q535 HydrophobicContact CG2-CG 3.62Å; T531-Q535 PolarHBondContact O-N 3.41Å; L532-Q535 PolarHBondContact O-N 2.92Å; Q535-A538 PolarHBondContact O-N 3.43Å; Q535-F539 VanDerWaalsContact O-CB 3.26Å; Q535-F539 WeakPolarHBondContact O-CB 3.42Å; Q535-F539 PolarHBondContact O-N 3.49Å
536	L	92.2	Very high	91.2	Very high	20 Å²	20	70.7 Å²	70.7	11%	0.105	41%	0.413	C	S	.	.	H	α-helix	trans	-62.8	-44.6	176.6	-175.8	62.1	0	0	0	111	L452 M497 L532 A538 F539 R540	L452-L536 HydrophobicContact CD2-CB 4.43Å; L452-L536 HydrophobicContact CD2-CD1 3.63Å; M497-L536 HydrophobicContact CE-CD1 4.18Å; M497-L536 HydrophobicContact CE-CD2 4.48Å; L532-L536 WeakPolarHBondContact O-CB 3.46Å; L532-L536 PolarHBondContact O-N 3.49Å; L536-A538 VanDerWaalsContact C-N 3.34Å; L536-A538 PolarHBondContact O-N 3.43Å; L536-F539 PolarHBondContact O-N 3.01Å; L536-R540 HydrophobicContact CD1-CG 4.2Å; L536-R540 HydrophobicContact CG-CG 4.42Å; L536-R540 WeakPolarHBondContact O-CB 3.38Å; L536-R540 VanDerWaalsContact O-CG 3.24Å; L536-R540 WeakPolarHBondContact O-CG 3.36Å; L536-R540 PolarHBondContact O-N 3.11Å
537	A	92.2	Very high	91.5	Very high	71 Å²	71	73.1 Å²	73.1	59%	0.587	42%	0.423	S	S	*	.	H	α-helix	trans	-63	-37.9	175.2	0	0	0	0	0	112.6	E533 A534	E533-A537 VanDerWaalsContact O-CB 3.24Å; E533-A537 WeakPolarHBondContact O-CB 2.9Å; E533-A537 PolarHBondContact O-N 3.36Å; A534-A537 PolarHBondContact O-N 2.81Å
538	A	92.8	Very high	91.8	Very high	78 Å²	78	68.5 Å²	68.5	65%	0.645	40%	0.403	S	S	*	.	H	α-helix	trans	-71.7	-31.8	176.3	0	0	0	0	0	113	A534 Q535 L536	A534-A538 WeakPolarHBondContact O-CB 3.36Å; A534-A538 PolarHBondContact O-N 3.41Å; Q535-A538 PolarHBondContact O-N 3.43Å; L536-A538 VanDerWaalsContact C-N 3.34Å; L536-A538 PolarHBondContact O-N 3.43Å
539	F	94.5	Very high	91.9	Very high	23 Å²	23	66.2 Å²	66.2	10%	0.101	38%	0.384	C	S	.	.	H	α-helix	trans	-79.5	-39.8	-179.6	-179.7	-98.4	0	0	0	113.2	L452 R454 A524 Q535 L536 K541	L452-F539 HydrophobicContact CB-CD1 3.97Å; L452-F539 HydrophobicContact CB-CD2 4.16Å; L452-F539 HydrophobicContact CB-CE1 4.12Å; L452-F539 HydrophobicContact CB-CE2 4.31Å; L452-F539 HydrophobicContact CB-CG 3.99Å; L452-F539 HydrophobicContact CB-CZ 4.29Å; L452-F539 HydrophobicContact CD1-CB 3.75Å; L452-F539 HydrophobicContact CD1-CD2 4.44Å; L452-F539 HydrophobicContact CD1-CG 4Å; R454-F539 HydrophobicContact CB-CE1 4Å; R454-F539 HydrophobicContact CB-CZ 3.84Å; R454-F539 PolarHBondContact NH2-O 3.24Å; A524-F539 HydrophobicContact CB-CD2 3.65Å; A524-F539 HydrophobicContact CB-CE2 3.63Å; Q535-F539 VanDerWaalsContact O-CB 3.26Å; Q535-F539 WeakPolarHBondContact O-CB 3.42Å; Q535-F539 PolarHBondContact O-N 3.49Å; L536-F539 PolarHBondContact O-N 3.01Å; F539-K541 PolarHBondContact O-N 3.09Å
540	R	95.5	Very high	91.8	Very high	52 Å²	52	60 Å²	60	20%	0.196	35%	0.349	C	S	.	.			trans	-62	127.3	179	-75.6	177.6	171.5	166	1.6	110.1	D479 S481 E495 L536	D479-R540 PolarHBondContact O-NH2 3.14Å; D479-R540 IonicContact OD2-NH2 2.82Å; D479-R540 PolarHBondContact OD2-NH2 3.04Å; S481-R540 VanDerWaalsContact OG-CD 3.24Å; S481-R540 WeakPolarHBondContact OG-CD 3.44Å; S481-R540 VanDerWaalsContact OG-CG 3.25Å; S481-R540 WeakPolarHBondContact OG-CG 3.4Å; S481-R540 PolarHBondContact OG-NE 3.37Å; E495-R540 HydrophobicContact CB-CG 4.22Å; E495-R540 VanDerWaalsContact OE2-CA 3.32Å; E495-R540 WeakPolarHBondContact OE2-CA 3.22Å; L536-R540 HydrophobicContact CD1-CG 4.2Å; L536-R540 HydrophobicContact CG-CG 4.42Å; L536-R540 WeakPolarHBondContact O-CB 3.38Å; L536-R540 VanDerWaalsContact O-CG 3.24Å; L536-R540 WeakPolarHBondContact O-CG 3.36Å; L536-R540 PolarHBondContact O-N 3.11Å
541	K	95.3	Very high	90.9	Very high	78 Å²	78	62.1 Å²	62.1	34%	0.339	36%	0.36	S	S	.	.	S	Bend	trans	-91.6	-23.5	169.5	-59.4	-59.8	-177.3	-169.9	0	111	E495 F539 H574	E495-K541 VanDerWaalsContact CD-N 3.35Å; E495-K541 WeakPolarHBondContact OE1-CB 3.41Å; E495-K541 PolarHBondContact OE1-N 3.45Å; E495-K541 VanDerWaalsContact OE1-N 3.16Å; E495-K541 PolarHBondContact OE2-N 3.27Å; F539-K541 PolarHBondContact O-N 3.09Å; K541-H574 PolarHBondContact O-CD2 3.45Å
542	F	95.3	Very high	89.7	Confident	8 Å²	8	60 Å²	60	4%	0.035	35%	0.349	C	S	.	.	S	Bend	trans	-113.7	126.7	178.6	-51.1	-79.4	0	0	0	109.5	W456 S481 F483 E495 S544 F570 H574	W456-F542 HydrophobicContact CH2-CE2 4.24Å; W456-F542 HydrophobicContact CH2-CZ 4.35Å; S481-F542 WeakPolarHBondContact CB-O 3.47Å; S481-F542 PolarHBondContact OG-O 3.3Å; F483-F542 HydrophobicContact CD1-CD1 4.07Å; F483-F542 HydrophobicContact CD1-CD2 4.27Å; F483-F542 AromaticContact CD1-CE1 3.67Å; F483-F542 HydrophobicContact CD1-CE1 3.67Å; F483-F542 AromaticContact CD1-CE2 3.91Å; F483-F542 HydrophobicContact CD1-CE2 3.91Å; F483-F542 HydrophobicContact CD1-CG 4.36Å; F483-F542 AromaticContact CD1-CZ 3.6Å; F483-F542 HydrophobicContact CD1-CZ 3.6Å; F483-F542 AromaticContact CE1-CE1 3.89Å; F483-F542 HydrophobicContact CE1-CE1 3.89Å; F483-F542 AromaticContact CE1-CE2 3.87Å; F483-F542 HydrophobicContact CE1-CE2 3.87Å; F483-F542 AromaticContact CE1-CZ 3.44Å; F483-F542 HydrophobicContact CE1-CZ 3.44Å; F483-F542 VanDerWaalsContact CE1-CZ 3.44Å; E495-F542 HydrophobicContact CG-CD2 4.48Å; E495-F542 WeakPolarHBondContact OE2-CD2 3.35Å; E495-F542 PolarHBondContact OE2-N 2.87Å; F542-S544 VanDerWaalsContact C-N 3.31Å; F542-S544 PolarHBondContact O-N 3.32Å; F542-F570 HydrophobicContact CD1-CZ 4.09Å; F542-F570 AromaticContact CE1-CE1 3.7Å; F542-F570 HydrophobicContact CE1-CE1 3.7Å; F542-F570 AromaticContact CE1-CZ 3.59Å; F542-F570 HydrophobicContact CE1-CZ 3.59Å; F542-F570 HydrophobicContact CZ-CE1 4.35Å; F542-H574 AromaticContact CD1-CD2 3.35Å; F542-H574 WeakPolarHBondContact CD1-CD2 3.38Å; F542-H574 AromaticContact CD1-NE2 3.77Å; F542-H574 HydrophobicContact CE1-CB 3.78Å; F542-H574 AromaticContact CE1-CD2 3.3Å; F542-H574 WeakPolarHBondContact CE1-CD2 3.27Å; F542-H574 AromaticContact CE1-CG 3.44Å; F542-H574 VanDerWaalsContact CE1-CG 3.44Å; F542-H574 AromaticContact CE1-NE2 3.89Å; F542-H574 HydrophobicContact CZ-CB 4.01Å
543	N	90.5	Very high	88.1	Confident	157 Å²	157	66 Å²	66	84%	0.84	37%	0.374	S	S	*	.	S	Bend	trans	-69.8	-27.3	-175.1	-68	-26.9	0	0	0	113.6
544	S	93.8	Very high	86.3	Confident	75 Å²	75	66.7 Å²	66.7	52%	0.524	38%	0.383	S	S	.	.	S	Bend	trans	-145.9	172.4	179.5	68	0	0	0	0	109.2	G482 F542	G482-S544 PolarHBondContact N-O 2.72Å; G482-S544 VanDerWaalsContact N-O 3.09Å; F542-S544 VanDerWaalsContact C-N 3.31Å; F542-S544 PolarHBondContact O-N 3.32Å
545	F	97.4	Very high	84.2	Confident	20 Å²	20	66.7 Å²	66.7	9%	0.088	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.8	171.4	-166	-79.2	0	0	0	111	I471 L472 S475 L480 G482 C484 I492 C493 V494	I471-F545 HydrophobicContact CG2-CE1 3.69Å; I471-F545 HydrophobicContact CG2-CZ 3.57Å; L472-F545 HydrophobicContact CD2-CD1 3.79Å; L472-F545 HydrophobicContact CD2-CE1 3.86Å; S475-F545 WeakPolarHBondContact OG-CD1 3.48Å; S475-F545 WeakPolarHBondContact OG-CG 3.46Å; L480-F545 WeakPolarHBondContact O-CB 3.38Å; G482-F545 WeakPolarHBondContact O-CA 3.47Å; C484-F545 HydrophobicContact CB-CE1 3.99Å; C484-F545 HydrophobicContact CB-CZ 3.98Å; I492-F545 HydrophobicContact CG2-CE2 4.28Å; I492-F545 HydrophobicContact CG2-CZ 4.07Å; C493-F545 VanDerWaalsContact O-CE2 3.3Å; C493-F545 WeakPolarHBondContact O-CE2 3.48Å; V494-F545 HydrophobicContact CG1-CD2 4.1Å; V494-F545 HydrophobicContact CG1-CE2 3.54Å; V494-F545 HydrophobicContact CG1-CZ 4.5Å
546	S	95.2	Very high	81.9	Confident	51 Å²	51	77.7 Å²	77.7	36%	0.357	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152.8	-178.3	57.6	0	0	0	0	113.9	G482 F483 C484	G482-S546 PolarHBondContact O-N 3.21Å; F483-S546 CarbonylContact C-O 3.59Å; F483-S546 WeakPolarHBondContact CA-O 3.37Å; F483-S546 WeakPolarHBondContact CB-O 3.34Å; C484-S546 PolarHBondContact N-O 3.25Å
547	E	94.4	Very high	80	Confident	77 Å²	77	79.8 Å²	79.8	36%	0.36	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.3	167.4	-170.6	170.1	148.4	0	0	109	R468 C484 P486	R468-E547 IonicContact NH1-OE1 3.04Å; R468-E547 PolarHBondContact NH1-OE1 2.81Å; C484-E547 CarbonylContact O-C 3.58Å; C484-E547 WeakPolarHBondContact O-CA 3.36Å; P486-E547 HydrophobicContact CG-CG 3.86Å; P486-E547 WeakPolarHBondContact CG-OE1 3.33Å
548	V	92.5	Very high	77.8	Confident	22 Å²	22	87.2 Å²	87.2	13%	0.133	47%	0.467	C	S	.	.			trans	-112.7	133.5	-178.6	-177.7	0	0	0	0	108.3	F483 C484 L485 P486 F550 F570	F483-V548 HydrophobicContact CB-CG2 3.82Å; F483-V548 HydrophobicContact CG-CG2 4.48Å; C484-V548 PolarHBondContact O-N 3.42Å; L485-V548 WeakPolarHBondContact CD1-O 3.25Å; P486-V548 WeakPolarHBondContact CD-O 3.46Å; V548-F550 HydrophobicContact CG1-CD2 4.4Å; V548-F550 HydrophobicContact CG1-CE1 3.93Å; V548-F550 HydrophobicContact CG1-CE2 3.53Å; V548-F550 HydrophobicContact CG1-CZ 3.25Å; V548-F570 HydrophobicContact CG1-CE2 4.37Å; V548-F570 HydrophobicContact CG2-CE2 4.43Å; V548-F570 HydrophobicContact CG2-CZ 4.13Å
549	A	86.5	Confident	75.9	Confident	56 Å²	56	90 Å²	90	46%	0.463	47%	0.467	S	S	.	.			trans	-134.7	128.7	-179.3	0	0	0	0	0	111.4	M562	A549-M562 HydrophobicContact CB-CE 3.77Å; A549-M562 HydrophobicContact CB-SD 4.41Å
550	F	82.7	Confident	74.1	Confident	33 Å²	33	91.5 Å²	91.5	15%	0.145	48%	0.478	C	S	.	.			trans	-112.9	79.5	177	-53.1	-73.1	0	0	0	109.2	L485 V548 S552 M562 N563 D566 F567 F570	L485-F550 HydrophobicContact CD1-CD2 3.71Å; L485-F550 HydrophobicContact CD1-CE2 3.94Å; V548-F550 HydrophobicContact CG1-CD2 4.4Å; V548-F550 HydrophobicContact CG1-CE1 3.93Å; V548-F550 HydrophobicContact CG1-CE2 3.53Å; V548-F550 HydrophobicContact CG1-CZ 3.25Å; F550-S552 PolarHBondContact O-N 2.89Å; F550-M562 HydrophobicContact CB-SD 4.47Å; F550-M562 PolarHBondContact N-SD 2.95Å; F550-M562 WeakPolarHBondContact O-CA 3.35Å; F550-N563 HydrophobicContact CB-CB 4.4Å; F550-N563 PolarHBondContact O-N 3.26Å; F550-D566 HydrophobicContact CB-CB 3.91Å; F550-D566 HydrophobicContact CD1-CB 3.68Å; F550-D566 HydrophobicContact CE1-CB 4.46Å; F550-D566 HydrophobicContact CG-CB 3.9Å; F550-F567 HydrophobicContact CD2-CB 3.99Å; F550-F567 HydrophobicContact CD2-CD2 4.47Å; F550-F567 HydrophobicContact CE2-CB 4.03Å; F550-F567 AromaticContact CE2-CD2 3.81Å; F550-F567 HydrophobicContact CE2-CD2 3.81Å; F550-F567 HydrophobicContact CE2-CG 4.41Å; F550-F570 HydrophobicContact CE1-CB 3.99Å; F550-F570 HydrophobicContact CE1-CG 4.37Å; F550-F570 HydrophobicContact CE2-CB 4.34Å; F550-F570 HydrophobicContact CE2-CG 4.43Å; F550-F570 HydrophobicContact CZ-CB 3.46Å; F550-F570 VanDerWaalsContact CZ-CB 3.46Å; F550-F570 HydrophobicContact CZ-CD1 4.09Å; F550-F570 AromaticContact CZ-CD2 3.93Å; F550-F570 HydrophobicContact CZ-CD2 3.93Å; F550-F570 AromaticContact CZ-CG 3.57Å; F550-F570 HydrophobicContact CZ-CG 3.57Å
551	I	68.4	Low	72.7	Confident	125 Å²	125	93.9 Å²	93.9	64%	0.641	49%	0.491	S	S	*	.	B	Isolated β-bridge	trans	-70.1	119.6	-174.9	-56.8	174.1	0	0	0	109.1	H553	I551-H553 PolarHBondContact O-N 3.49Å
552	S	62.7	Low	71.6	Confident	43 Å²	43	90.8 Å²	90.8	30%	0.301	48%	0.478	S	S	.	.			trans	-68	125	168	-177.4	0	0	0	0	109.5	F550 N554 G555	F550-S552 PolarHBondContact O-N 2.89Å; S552-N554 PolarHBondContact O-N 3.41Å; S552-G555 PolarHBondContact O-N 3.2Å
553	H	55	Low	70.9	Confident	196 Å²	196	92 Å²	92	91%	0.907	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-17.9	177	-104	-76.9	0	0	0	114.1	I551	I551-H553 PolarHBondContact O-N 3.49Å
554	N	51.9	Low	70.6	Confident	151 Å²	151	87.6 Å²	87.6	81%	0.807	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	1.4	-176.3	-67.7	-6.3	0	0	0	114.6	S552 R556	S552-N554 PolarHBondContact O-N 3.41Å; N554-R556 PolarHBondContact O-N 3.37Å
555	G	48.8	Very low	70.3	Confident	46 Å²	46	84.8 Å²	84.8	47%	0.474	44%	0.444	S	S	.	.			trans	-85.3	103.4	174.9	0	0	0	0	0	112.1	S552	S552-G555 PolarHBondContact O-N 3.2Å
556	R	42.7	Very low	69.9	Low	250 Å²	250	86.8 Å²	86.8	94%	0.943	46%	0.456	S	S	*	.			trans	-91.5	118.4	163.8	-86.5	-179.2	158.5	150.5	-4.5	108.9	N554	N554-R556 PolarHBondContact O-N 3.37Å
557	G	52	Low	69.7	Low	64 Å²	64	84.3 Å²	84.3	66%	0.66	44%	0.439	S	S	*	.	S	Bend	trans	103.4	-156.4	167.3	0	0	0	0	0	116.1	E559	G557-E559 PolarHBondContact O-N 3.45Å
558	R	46.6	Very low	69.6	Low	226 Å²	226	82.6 Å²	82.6	85%	0.853	43%	0.429	S	S	*	.	S	Bend	trans	-69.9	-7.4	-170.5	-61.8	-178.3	-157.4	164	6.3	114.2	V560	R558-V560 PolarHBondContact O-N 3.03Å
559	E	52.6	Low	69.6	Low	137 Å²	137	83.7 Å²	83.7	64%	0.64	44%	0.44	S	S	*	.			trans	-94.2	67.5	-179.6	-64.7	177.8	-178.5	0	0	111.1	G557 H561	G557-E559 PolarHBondContact O-N 3.45Å; E559-H561 PolarHBondContact O-N 3.31Å
560	V	57.7	Low	70	Confident	55 Å²	55	82.3 Å²	82.3	33%	0.333	42%	0.424	S	S	.	.			trans	-72.2	82.9	174.7	-174.4	0	0	0	0	108.9	R558 M562	R558-V560 PolarHBondContact O-N 3.03Å; V560-M562 HydrophobicContact CG1-CE 3.91Å; V560-M562 HydrophobicContact CG1-SD 4.25Å; V560-M562 PolarHBondContact O-N 3.01Å
561	H	65.1	Low	70.5	Confident	101 Å²	101	80.7 Å²	80.7	47%	0.468	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-74	117.4	165.1	-78.7	-76.8	0	0	0	108.9	E559	E559-H561 PolarHBondContact O-N 3.31Å
562	M	71.3	Confident	71.7	Confident	14 Å²	14	77.7 Å²	77.7	7%	0.069	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-72.3	137.2	174.9	-68	-61.3	-179.5	0	0	109.9	L485 P486 A549 F550 V560 L564	L485-M562 HydrophobicContact CD1-CB 4.42Å; L485-M562 HydrophobicContact CD1-CE 4.28Å; L485-M562 HydrophobicContact CD1-CG 3.86Å; L485-M562 HydrophobicContact CD1-SD 4.05Å; L485-M562 HydrophobicContact CG-CG 4.25Å; P486-M562 HydrophobicContact CG-CE 3.82Å; P486-M562 WeakPolarHBondContact O-CE 3.32Å; P486-M562 WeakPolarHBondContact O-CG 3.48Å; A549-M562 HydrophobicContact CB-CE 3.77Å; A549-M562 HydrophobicContact CB-SD 4.41Å; F550-M562 HydrophobicContact CB-SD 4.47Å; F550-M562 PolarHBondContact N-SD 2.95Å; F550-M562 WeakPolarHBondContact O-CA 3.35Å; V560-M562 HydrophobicContact CG1-CE 3.91Å; V560-M562 HydrophobicContact CG1-SD 4.25Å; V560-M562 PolarHBondContact O-N 3.01Å; M562-L564 PolarHBondContact O-N 2.89Å; M562-L564 VanDerWaalsContact O-N 3.11Å
563	N	81.7	Confident	73.2	Confident	32 Å²	32	82.7 Å²	82.7	17%	0.171	42%	0.423	C	S	.	.			trans	-70.7	106.4	174.9	-178.3	-5.5	0	0	0	109.9	F550 G565 D566 F567	F550-N563 HydrophobicContact CB-CB 4.4Å; F550-N563 PolarHBondContact O-N 3.26Å; N563-G565 PolarHBondContact O-N 3.23Å; N563-G565 PolarHBondContact OD1-N 3.22Å; N563-D566 HydrophobicContact CB-CB 4.22Å; N563-D566 WeakPolarHBondContact CB-OD2 3.36Å; N563-D566 VanDerWaalsContact CG-CG 3.46Å; N563-D566 VanDerWaalsContact CG-OD2 3.32Å; N563-D566 PolarHBondContact ND2-OD1 3.02Å; N563-D566 PolarHBondContact ND2-OD2 3.25Å; N563-D566 PolarHBondContact O-N 3.43Å; N563-F567 PolarHBondContact O-N 3.08Å
564	L	84.7	Confident	75.1	Confident	65 Å²	65	75.5 Å²	75.5	34%	0.34	39%	0.389	S	S	.	.	H	α-helix	trans	-63.2	-25.4	179.3	-64.7	-179.1	0	0	0	113.2	M562 Y568 F580 F584	M562-L564 PolarHBondContact O-N 2.89Å; M562-L564 VanDerWaalsContact O-N 3.11Å; L564-Y568 WeakPolarHBondContact O-CB 3.43Å; L564-Y568 PolarHBondContact O-N 2.95Å; L564-F580 HydrophobicContact CB-CE2 4.49Å; L564-F580 HydrophobicContact CB-CZ 4.32Å; L564-F580 WeakPolarHBondContact O-CE2 3.26Å; L564-F584 HydrophobicContact CD1-CE1 4.23Å; L564-F584 HydrophobicContact CD2-CE1 3.9Å; L564-F584 HydrophobicContact CD2-CE2 4.19Å; L564-F584 HydrophobicContact CD2-CZ 3.52Å
565	G	86.4	Confident	77.1	Confident	17 Å²	17	74.2 Å²	74.2	18%	0.175	38%	0.383	C	S	.	.	H	α-helix	trans	-68.9	-42.8	175.1	0	0	0	0	0	112.2	N563 F567 Y568 A569	N563-G565 PolarHBondContact O-N 3.23Å; N563-G565 PolarHBondContact OD1-N 3.22Å; G565-F567 VanDerWaalsContact C-N 3.33Å; G565-Y568 WeakPolarHBondContact O-CB 3.49Å; G565-Y568 PolarHBondContact O-N 3.22Å; G565-A569 PolarHBondContact O-N 3.31Å
566	D	89.2	Confident	79.3	Confident	61 Å²	61	72 Å²	72	33%	0.326	36%	0.36	S	S	.	.	H	α-helix	trans	-70.2	-36.2	177.2	-57.1	-10.2	0	0	0	110.3	F550 N563 Y568 A569 F570	F550-D566 HydrophobicContact CB-CB 3.91Å; F550-D566 HydrophobicContact CD1-CB 3.68Å; F550-D566 HydrophobicContact CE1-CB 4.46Å; F550-D566 HydrophobicContact CG-CB 3.9Å; N563-D566 HydrophobicContact CB-CB 4.22Å; N563-D566 WeakPolarHBondContact CB-OD2 3.36Å; N563-D566 VanDerWaalsContact CG-CG 3.46Å; N563-D566 VanDerWaalsContact CG-OD2 3.32Å; N563-D566 PolarHBondContact ND2-OD1 3.02Å; N563-D566 PolarHBondContact ND2-OD2 3.25Å; N563-D566 PolarHBondContact O-N 3.43Å; D566-Y568 VanDerWaalsContact C-N 3.34Å; D566-Y568 PolarHBondContact O-N 3.09Å; D566-A569 PolarHBondContact O-N 2.92Å; D566-F570 WeakPolarHBondContact O-CB 3.41Å; D566-F570 PolarHBondContact O-N 3.48Å
567	F	91.7	Very high	81.6	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.1	-40.8	171.3	178.6	-123.6	0	0	0	112.2	F483 L485 I491 F550 N563 G565 F570 L571 F580 F584	F483-F567 AromaticContact CE2-CE2 3.79Å; F483-F567 HydrophobicContact CE2-CE2 3.79Å; F483-F567 HydrophobicContact CE2-CZ 4.37Å; F483-F567 AromaticContact CZ-CE2 3.78Å; F483-F567 HydrophobicContact CZ-CE2 3.78Å; F483-F567 HydrophobicContact CZ-CZ 4.19Å; L485-F567 HydrophobicContact CD2-CD1 4.44Å; L485-F567 HydrophobicContact CD2-CD2 3.85Å; L485-F567 HydrophobicContact CD2-CE2 4.05Å; L485-F567 HydrophobicContact CD2-CG 4.05Å; L485-F567 HydrophobicContact CD2-CZ 4.42Å; I491-F567 HydrophobicContact CD1-CD1 4.34Å; I491-F567 HydrophobicContact CD1-CE1 3.5Å; I491-F567 VanDerWaalsContact CD1-CE1 3.5Å; I491-F567 HydrophobicContact CD1-CZ 3.67Å; I491-F567 HydrophobicContact CG2-CZ 4.31Å; F550-F567 HydrophobicContact CD2-CB 3.99Å; F550-F567 HydrophobicContact CD2-CD2 4.47Å; F550-F567 HydrophobicContact CE2-CB 4.03Å; F550-F567 AromaticContact CE2-CD2 3.81Å; F550-F567 HydrophobicContact CE2-CD2 3.81Å; F550-F567 HydrophobicContact CE2-CG 4.41Å; N563-F567 PolarHBondContact O-N 3.08Å; G565-F567 VanDerWaalsContact C-N 3.33Å; F567-F570 HydrophobicContact CD2-CD1 4.26Å; F567-F570 HydrophobicContact CE2-CD1 4.33Å; F567-F570 WeakPolarHBondContact O-CB 3.32Å; F567-F570 PolarHBondContact O-N 3.27Å; F567-L571 HydrophobicContact CD1-CD1 4.29Å; F567-L571 HydrophobicContact CD2-CG 4.41Å; F567-L571 HydrophobicContact CE1-CD1 3.75Å; F567-L571 HydrophobicContact CE1-CG 4.33Å; F567-L571 HydrophobicContact CE2-CD1 4.29Å; F567-L571 HydrophobicContact CE2-CD2 4.01Å; F567-L571 HydrophobicContact CE2-CG 4Å; F567-L571 HydrophobicContact CZ-CD1 3.75Å; F567-L571 HydrophobicContact CZ-CD2 3.99Å; F567-L571 HydrophobicContact CZ-CG 3.95Å; F567-L571 WeakPolarHBondContact O-CG 3.35Å; F567-L571 PolarHBondContact O-N 3.27Å; F567-F580 HydrophobicContact CD1-CD2 4.17Å; F567-F580 HydrophobicContact CD1-CE2 4.09Å; F567-F580 HydrophobicContact CE1-CD2 4.4Å; F567-F584 HydrophobicContact CD1-CE2 4.17Å; F567-F584 HydrophobicContact CE1-CE2 4.05Å; F567-F584 HydrophobicContact CE1-CZ 4.44Å
568	Y	92	Very high	83.3	Confident	41 Å²	41	62.5 Å²	62.5	16%	0.161	31%	0.314	C	S	.	.	H	α-helix	trans	-62.8	-44.7	174.4	-178.5	-113.1	0	0	0	111.7	L564 G565 D566 F570 L571 V572 A577 F580 G588	L564-Y568 WeakPolarHBondContact O-CB 3.43Å; L564-Y568 PolarHBondContact O-N 2.95Å; G565-Y568 WeakPolarHBondContact O-CB 3.49Å; G565-Y568 PolarHBondContact O-N 3.22Å; D566-Y568 VanDerWaalsContact C-N 3.34Å; D566-Y568 PolarHBondContact O-N 3.09Å; Y568-F570 VanDerWaalsContact C-N 3.31Å; Y568-F570 PolarHBondContact O-N 3.11Å; Y568-L571 WeakPolarHBondContact O-CB 3.22Å; Y568-L571 PolarHBondContact O-N 2.83Å; Y568-L571 VanDerWaalsContact O-N 3.13Å; Y568-V572 HydrophobicContact CD1-CG2 4.24Å; Y568-V572 HydrophobicContact CE1-CG2 3.85Å; Y568-V572 HydrophobicContact CE2-CG2 4.18Å; Y568-V572 WeakPolarHBondContact O-CG2 3.29Å; Y568-V572 PolarHBondContact O-N 3.32Å; Y568-A577 HydrophobicContact CE2-CB 4.08Å; Y568-F580 HydrophobicContact CD2-CB 3.71Å; Y568-F580 HydrophobicContact CD2-CD1 4.1Å; Y568-F580 AromaticContact CD2-CD2 3.7Å; Y568-F580 HydrophobicContact CD2-CD2 3.7Å; Y568-F580 HydrophobicContact CD2-CE2 4.31Å; Y568-F580 AromaticContact CD2-CG 3.57Å; Y568-F580 HydrophobicContact CD2-CG 3.57Å; Y568-F580 HydrophobicContact CE2-CB 4.04Å; Y568-F580 HydrophobicContact CE2-CG 4.25Å; Y568-F580 HydrophobicContact CG-CD2 4.24Å; Y568-F580 HydrophobicContact CG-CE2 4.44Å; Y568-F580 HydrophobicContact CG-CG 4.43Å; Y568-G588 VanDerWaalsContact CE1-C 3.44Å; Y568-G588 PolarHBondContact OH-O 3.5Å
569	A	92.4	Very high	85.4	Confident	45 Å²	45	51.8 Å²	51.8	37%	0.372	27%	0.273	S	S	.	.	H	α-helix	trans	-58.7	-42.7	175.5	0	0	0	0	0	111.9	G565 D566 L571 V572 E573	G565-A569 PolarHBondContact O-N 3.31Å; D566-A569 PolarHBondContact O-N 2.92Å; A569-L571 PolarHBondContact O-N 3.32Å; A569-V572 WeakPolarHBondContact O-CB 3.25Å; A569-V572 PolarHBondContact O-N 3.46Å; A569-E573 PolarHBondContact O-N 3.11Å
570	F	94.1	Very high	87.1	Confident	26 Å²	26	45.8 Å²	45.8	11%	0.114	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-42.3	173.7	173.5	-99.5	0	0	0	112.5	F483 F542 V548 F550 D566 F567 Y568 E573 H574	F483-F570 AromaticContact CD1-CE1 3.87Å; F483-F570 HydrophobicContact CD1-CE1 3.87Å; F483-F570 HydrophobicContact CD1-CZ 4.24Å; F483-F570 HydrophobicContact CD2-CE1 4.48Å; F483-F570 AromaticContact CE1-CE1 3.85Å; F483-F570 HydrophobicContact CE1-CE1 3.85Å; F483-F570 HydrophobicContact CE2-CE1 4.46Å; F483-F570 HydrophobicContact CG-CE1 4.2Å; F483-F570 HydrophobicContact CG-CZ 4.44Å; F483-F570 HydrophobicContact CZ-CE1 4.15Å; F542-F570 HydrophobicContact CD1-CZ 4.09Å; F542-F570 AromaticContact CE1-CE1 3.7Å; F542-F570 HydrophobicContact CE1-CE1 3.7Å; F542-F570 AromaticContact CE1-CZ 3.59Å; F542-F570 HydrophobicContact CE1-CZ 3.59Å; F542-F570 HydrophobicContact CZ-CE1 4.35Å; V548-F570 HydrophobicContact CG1-CE2 4.37Å; V548-F570 HydrophobicContact CG2-CE2 4.43Å; V548-F570 HydrophobicContact CG2-CZ 4.13Å; F550-F570 HydrophobicContact CE1-CB 3.99Å; F550-F570 HydrophobicContact CE1-CG 4.37Å; F550-F570 HydrophobicContact CE2-CB 4.34Å; F550-F570 HydrophobicContact CE2-CG 4.43Å; F550-F570 HydrophobicContact CZ-CB 3.46Å; F550-F570 VanDerWaalsContact CZ-CB 3.46Å; F550-F570 HydrophobicContact CZ-CD1 4.09Å; F550-F570 AromaticContact CZ-CD2 3.93Å; F550-F570 HydrophobicContact CZ-CD2 3.93Å; F550-F570 AromaticContact CZ-CG 3.57Å; F550-F570 HydrophobicContact CZ-CG 3.57Å; D566-F570 WeakPolarHBondContact O-CB 3.41Å; D566-F570 PolarHBondContact O-N 3.48Å; F567-F570 HydrophobicContact CD2-CD1 4.26Å; F567-F570 HydrophobicContact CE2-CD1 4.33Å; F567-F570 WeakPolarHBondContact O-CB 3.32Å; F567-F570 PolarHBondContact O-N 3.27Å; Y568-F570 VanDerWaalsContact C-N 3.31Å; Y568-F570 PolarHBondContact O-N 3.11Å; F570-E573 PolarHBondContact O-N 2.86Å; F570-H574 AromaticContact CD2-CE1 3.6Å; F570-H574 AromaticContact CD2-ND1 3.8Å; F570-H574 AromaticContact CE2-CE1 3.24Å; F570-H574 WeakPolarHBondContact CE2-CE1 3.27Å; F570-H574 AromaticContact CE2-ND1 3.72Å; F570-H574 AromaticContact CE2-NE2 3.92Å; F570-H574 AromaticContact CZ-CE1 3.8Å; F570-H574 PolarHBondContact O-N 3.22Å; F570-H574 PolarHBondContact O-ND1 3.41Å
571	L	94.5	Very high	88.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-38.2	175	-69.4	178.7	0	0	0	112.2	W456 F483 F567 Y568 A569 H574 N575 C576 A577 F580	W456-L571 HydrophobicContact CH2-CD2 4.14Å; W456-L571 HydrophobicContact CZ3-CD2 4.21Å; F483-L571 HydrophobicContact CZ-CD2 4.45Å; F567-L571 HydrophobicContact CD1-CD1 4.29Å; F567-L571 HydrophobicContact CD2-CG 4.41Å; F567-L571 HydrophobicContact CE1-CD1 3.75Å; F567-L571 HydrophobicContact CE1-CG 4.33Å; F567-L571 HydrophobicContact CE2-CD1 4.29Å; F567-L571 HydrophobicContact CE2-CD2 4.01Å; F567-L571 HydrophobicContact CE2-CG 4Å; F567-L571 HydrophobicContact CZ-CD1 3.75Å; F567-L571 HydrophobicContact CZ-CD2 3.99Å; F567-L571 HydrophobicContact CZ-CG 3.95Å; F567-L571 WeakPolarHBondContact O-CG 3.35Å; F567-L571 PolarHBondContact O-N 3.27Å; Y568-L571 WeakPolarHBondContact O-CB 3.22Å; Y568-L571 PolarHBondContact O-N 2.83Å; Y568-L571 VanDerWaalsContact O-N 3.13Å; A569-L571 PolarHBondContact O-N 3.32Å; L571-H574 CarbonylContact O-C 3.52Å; L571-H574 PolarHBondContact O-N 3.31Å; L571-N575 PolarHBondContact O-N 2.79Å; L571-C576 HydrophobicContact CB-CB 4.39Å; L571-C576 HydrophobicContact CD2-CB 3.94Å; L571-C576 CarbonylContact O-C 3.57Å; L571-C576 WeakPolarHBondContact O-CA 3.47Å; L571-C576 PolarHBondContact O-N 2.93Å; L571-A577 PolarHBondContact O-N 2.73Å; L571-F580 HydrophobicContact CD1-CB 4.03Å; L571-F580 HydrophobicContact CD1-CD2 4.04Å
572	V	93.3	Very high	88.9	Confident	61 Å²	61	43.4 Å²	43.4	37%	0.37	24%	0.235	S	C	.	.	H	α-helix	trans	-62.5	-46.1	176.1	171.7	0	0	0	0	110.7	Y568 A569 H574 N575 A577	Y568-V572 HydrophobicContact CD1-CG2 4.24Å; Y568-V572 HydrophobicContact CE1-CG2 3.85Å; Y568-V572 HydrophobicContact CE2-CG2 4.18Å; Y568-V572 WeakPolarHBondContact O-CG2 3.29Å; Y568-V572 PolarHBondContact O-N 3.32Å; A569-V572 WeakPolarHBondContact O-CB 3.25Å; A569-V572 PolarHBondContact O-N 3.46Å; V572-H574 PolarHBondContact O-N 3.01Å; V572-N575 PolarHBondContact O-N 3.42Å; V572-A577 HydrophobicContact CG2-CB 3.76Å
573	E	94.7	Very high	89.3	Confident	149 Å²	149	43.4 Å²	43.4	70%	0.696	23%	0.234	S	C	*	.	H	α-helix	trans	-56.6	-35.9	177.3	-174.4	179.2	-174.6	0	0	112.3	A569 F570	A569-E573 PolarHBondContact O-N 3.11Å; F570-E573 PolarHBondContact O-N 2.86Å
574	H	94.9	Very high	89.3	Confident	44 Å²	44	43.8 Å²	43.8	20%	0.204	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	13.4	-179.8	-64.7	77.3	0	0	0	113.7	K541 F542 F570 L571 V572 C576	K541-H574 PolarHBondContact O-CD2 3.45Å; F542-H574 AromaticContact CD1-CD2 3.35Å; F542-H574 WeakPolarHBondContact CD1-CD2 3.38Å; F542-H574 AromaticContact CD1-NE2 3.77Å; F542-H574 HydrophobicContact CE1-CB 3.78Å; F542-H574 AromaticContact CE1-CD2 3.3Å; F542-H574 WeakPolarHBondContact CE1-CD2 3.27Å; F542-H574 AromaticContact CE1-CG 3.44Å; F542-H574 VanDerWaalsContact CE1-CG 3.44Å; F542-H574 AromaticContact CE1-NE2 3.89Å; F542-H574 HydrophobicContact CZ-CB 4.01Å; F570-H574 AromaticContact CD2-CE1 3.6Å; F570-H574 AromaticContact CD2-ND1 3.8Å; F570-H574 AromaticContact CE2-CE1 3.24Å; F570-H574 WeakPolarHBondContact CE2-CE1 3.27Å; F570-H574 AromaticContact CE2-ND1 3.72Å; F570-H574 AromaticContact CE2-NE2 3.92Å; F570-H574 AromaticContact CZ-CE1 3.8Å; F570-H574 PolarHBondContact O-N 3.22Å; F570-H574 PolarHBondContact O-ND1 3.41Å; L571-H574 CarbonylContact O-C 3.52Å; L571-H574 PolarHBondContact O-N 3.31Å; V572-H574 PolarHBondContact O-N 3.01Å; H574-C576 PolarHBondContact O-N 3.18Å; H574-C576 PolarHBondContact O-SG 3.17Å
575	N	93.3	Very high	88.7	Confident	125 Å²	125	43.5 Å²	43.5	67%	0.668	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	35.7	-176.8	-63.8	-67.2	0	0	0	114	L571 V572	L571-N575 PolarHBondContact O-N 2.79Å; V572-N575 PolarHBondContact O-N 3.42Å
576	C	94.4	Very high	88.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.263	C	S	.	.			trans	-119.5	17.7	-178	-67.3	0	0	0	0	113.1	W456 L571 H574 H578 I579	W456-C576 HydrophobicContact CH2-CB 3.95Å; W456-C576 HydrophobicContact CZ2-CB 4.14Å; L571-C576 HydrophobicContact CB-CB 4.39Å; L571-C576 HydrophobicContact CD2-CB 3.94Å; L571-C576 CarbonylContact O-C 3.57Å; L571-C576 WeakPolarHBondContact O-CA 3.47Å; L571-C576 PolarHBondContact O-N 2.93Å; H574-C576 PolarHBondContact O-N 3.18Å; H574-C576 PolarHBondContact O-SG 3.17Å; C576-H578 PolarHBondContact O-N 2.87Å; C576-H578 VanDerWaalsContact O-N 3.15Å; C576-I579 WeakPolarHBondContact O-CB 3.42Å; C576-I579 PolarHBondContact O-N 2.79Å; C576-I579 VanDerWaalsContact O-N 3.1Å
577	A	91	Very high	87.7	Confident	28 Å²	28	51.8 Å²	51.8	23%	0.231	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.1	-176.2	0	0	0	0	0	113.8	Y568 L571 V572 I579 F580	Y568-A577 HydrophobicContact CE2-CB 4.08Å; L571-A577 PolarHBondContact O-N 2.73Å; V572-A577 HydrophobicContact CG2-CB 3.76Å; A577-I579 PolarHBondContact O-N 3.01Å; A577-I579 VanDerWaalsContact O-N 3.17Å; A577-F580 WeakPolarHBondContact O-CB 3.48Å; A577-F580 PolarHBondContact O-N 3.42Å
578	H	88.7	Confident	86.9	Confident	85 Å²	85	52.4 Å²	52.4	39%	0.394	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.2	178.3	63.1	-66.4	0	0	0	113.5	E522 C576 P581 M582	E522-H578 IonicContact OE1-NE2 3.04Å; C576-H578 PolarHBondContact O-N 2.87Å; C576-H578 VanDerWaalsContact O-N 3.15Å; H578-P581 WeakPolarHBondContact O-CD 3.37Å; H578-P581 WeakPolarHBondContact O-CG 3.45Å; H578-M582 WeakPolarHBondContact O-CE 3.25Å
579	I	90.2	Very high	85.9	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-78	-26.1	-179.1	-62.2	-63.3	0	0	0	112.5	W456 C576 A577 M582 Y583	W456-I579 HydrophobicContact CD2-CD1 4.25Å; W456-I579 HydrophobicContact CD2-CG1 4.18Å; W456-I579 HydrophobicContact CD2-CG2 3.79Å; W456-I579 HydrophobicContact CE3-CG2 3.8Å; W456-I579 HydrophobicContact CG-CD1 4.25Å; W456-I579 HydrophobicContact CG-CG2 4.26Å; W456-I579 HydrophobicContact CH2-CG1 4.22Å; W456-I579 HydrophobicContact CH2-CG2 4.4Å; W456-I579 HydrophobicContact CZ2-CB 4.43Å; W456-I579 HydrophobicContact CZ2-CD1 4.27Å; W456-I579 HydrophobicContact CZ2-CG1 3.64Å; W456-I579 HydrophobicContact CZ2-CG2 4.41Å; W456-I579 HydrophobicContact CZ3-CG2 4.1Å; C576-I579 WeakPolarHBondContact O-CB 3.42Å; C576-I579 PolarHBondContact O-N 2.79Å; C576-I579 VanDerWaalsContact O-N 3.1Å; A577-I579 PolarHBondContact O-N 3.01Å; A577-I579 VanDerWaalsContact O-N 3.17Å; I579-M582 HydrophobicContact CD1-CE 3.81Å; I579-M582 HydrophobicContact CD1-SD 3.89Å; I579-M582 WeakPolarHBondContact O-CA 3.19Å; I579-M582 WeakPolarHBondContact O-CB 3.47Å; I579-M582 PolarHBondContact O-N 3.49Å; I579-Y583 HydrophobicContact CG2-CD2 3.53Å; I579-Y583 HydrophobicContact CG2-CE2 3.33Å; I579-Y583 PolarHBondContact O-N 3.1Å; I579-Y583 VanDerWaalsContact O-N 3.16Å
580	F	88.1	Confident	84.7	Confident	12 Å²	12	59.6 Å²	59.6	5%	0.053	33%	0.325	C	S	.	.	H	α-helix	trans	-56.7	-52	-178.7	-166.1	-88.6	0	0	0	113.4	L564 F567 Y568 L571 A577 M582 Y583 F584 V586	L564-F580 HydrophobicContact CB-CE2 4.49Å; L564-F580 HydrophobicContact CB-CZ 4.32Å; L564-F580 WeakPolarHBondContact O-CE2 3.26Å; F567-F580 HydrophobicContact CD1-CD2 4.17Å; F567-F580 HydrophobicContact CD1-CE2 4.09Å; F567-F580 HydrophobicContact CE1-CD2 4.4Å; Y568-F580 HydrophobicContact CD2-CB 3.71Å; Y568-F580 HydrophobicContact CD2-CD1 4.1Å; Y568-F580 AromaticContact CD2-CD2 3.7Å; Y568-F580 HydrophobicContact CD2-CD2 3.7Å; Y568-F580 HydrophobicContact CD2-CE2 4.31Å; Y568-F580 AromaticContact CD2-CG 3.57Å; Y568-F580 HydrophobicContact CD2-CG 3.57Å; Y568-F580 HydrophobicContact CE2-CB 4.04Å; Y568-F580 HydrophobicContact CE2-CG 4.25Å; Y568-F580 HydrophobicContact CG-CD2 4.24Å; Y568-F580 HydrophobicContact CG-CE2 4.44Å; Y568-F580 HydrophobicContact CG-CG 4.43Å; L571-F580 HydrophobicContact CD1-CB 4.03Å; L571-F580 HydrophobicContact CD1-CD2 4.04Å; A577-F580 WeakPolarHBondContact O-CB 3.48Å; A577-F580 PolarHBondContact O-N 3.42Å; F580-M582 PolarHBondContact O-N 3.19Å; F580-Y583 PolarHBondContact O-N 3.33Å; F580-F584 AromaticContact CD1-CD2 3.95Å; F580-F584 HydrophobicContact CD1-CD2 3.95Å; F580-F584 AromaticContact CD2-CD2 3.85Å; F580-F584 HydrophobicContact CD2-CD2 3.85Å; F580-F584 AromaticContact CD2-CE2 3.82Å; F580-F584 HydrophobicContact CD2-CE2 3.82Å; F580-F584 AromaticContact CE1-CD2 3.81Å; F580-F584 HydrophobicContact CE1-CD2 3.81Å; F580-F584 HydrophobicContact CE1-CG 4.48Å; F580-F584 AromaticContact CE2-CD2 3.71Å; F580-F584 HydrophobicContact CE2-CD2 3.71Å; F580-F584 AromaticContact CE2-CE2 3.62Å; F580-F584 HydrophobicContact CE2-CE2 3.62Å; F580-F584 AromaticContact CG-CD2 3.98Å; F580-F584 HydrophobicContact CG-CD2 3.98Å; F580-F584 HydrophobicContact CG-CE2 4.39Å; F580-F584 AromaticContact CZ-CD2 3.7Å; F580-F584 HydrophobicContact CZ-CD2 3.7Å; F580-F584 HydrophobicContact CZ-CE2 4.02Å; F580-F584 VanDerWaalsContact O-CD2 3.31Å; F580-F584 WeakPolarHBondContact O-CD2 3.08Å; F580-F584 PolarHBondContact O-N 3.05Å; F580-F584 VanDerWaalsContact O-N 3.08Å; F580-V586 HydrophobicContact CE1-CG2 4.26Å
581	P	80.9	Confident	83.1	Confident	36 Å²	36	69.1 Å²	69.1	23%	0.234	37%	0.367	C	S	.	.	H	α-helix	trans	-63.4	-25.6	174.9	25.6	-35.3	0	0	0	113	H578 G585 V586	H578-P581 WeakPolarHBondContact O-CD 3.37Å; H578-P581 WeakPolarHBondContact O-CG 3.45Å; P581-G585 WeakPolarHBondContact O-CA 3.46Å; P581-G585 PolarHBondContact O-N 3.27Å; P581-V586 VanDerWaalsContact CA-O 3.28Å; P581-V586 WeakPolarHBondContact CA-O 3.33Å
582	M	79.9	Confident	82.5	Confident	70 Å²	70	72.6 Å²	72.6	35%	0.345	39%	0.385	S	S	.	.	H	α-helix	trans	-67.7	-37.9	176	-57	-171.2	-154.2	0	0	112.2	K519 H520 H578 I579 F580	K519-M582 WeakPolarHBondContact CE-O 3.11Å; H520-M582 HydrophobicContact CB-SD 4.07Å; H578-M582 WeakPolarHBondContact O-CE 3.25Å; I579-M582 HydrophobicContact CD1-CE 3.81Å; I579-M582 HydrophobicContact CD1-SD 3.89Å; I579-M582 WeakPolarHBondContact O-CA 3.19Å; I579-M582 WeakPolarHBondContact O-CB 3.47Å; I579-M582 PolarHBondContact O-N 3.49Å; F580-M582 PolarHBondContact O-N 3.19Å
583	Y	80	Confident	81.9	Confident	13 Å²	13	73.2 Å²	73.2	5%	0.051	39%	0.386	C	S	.	.	H	α-helix	trans	-73.3	-47.5	175.1	-80.8	-67.1	0	0	0	112.4	W456 I457 Y458 I491 K519 I579 F580	W456-Y583 WeakPolarHBondContact CA-OH 3.03Å; W456-Y583 HydrophobicContact CB-CE2 4.44Å; W456-Y583 VanDerWaalsContact CB-OH 3.29Å; W456-Y583 WeakPolarHBondContact CB-OH 3.09Å; W456-Y583 HydrophobicContact CE3-CE2 4.04Å; I457-Y583 PolarHBondContact N-OH 2.9Å; I457-Y583 PolarHBondContact O-OH 2.96Å; Y458-Y583 AromaticContact CD2-CD1 3.72Å; Y458-Y583 HydrophobicContact CD2-CD1 3.72Å; Y458-Y583 HydrophobicContact CD2-CE1 4.06Å; Y458-Y583 HydrophobicContact CG-CD1 4.32Å; Y458-Y583 HydrophobicContact CG-CE1 4.4Å; I491-Y583 HydrophobicContact CD1-CD2 4.38Å; I491-Y583 HydrophobicContact CD1-CE2 4.46Å; I491-Y583 HydrophobicContact CD1-CG 4.42Å; I491-Y583 HydrophobicContact CG1-CE1 4.43Å; I491-Y583 HydrophobicContact CG2-CE1 4.39Å; I491-Y583 HydrophobicContact CG2-CE2 4.02Å; I491-Y583 WeakPolarHBondContact CG2-OH 3.35Å; K519-Y583 HydrophobicContact CB-CD1 4.21Å; K519-Y583 HydrophobicContact CB-CE1 3.77Å; K519-Y583 HydrophobicContact CG-CD1 3.84Å; K519-Y583 HydrophobicContact CG-CE1 3.92Å; I579-Y583 HydrophobicContact CG2-CD2 3.53Å; I579-Y583 HydrophobicContact CG2-CE2 3.33Å; I579-Y583 PolarHBondContact O-N 3.1Å; I579-Y583 VanDerWaalsContact O-N 3.16Å; F580-Y583 PolarHBondContact O-N 3.33Å
584	F	81.4	Confident	81.2	Confident	41 Å²	41	69 Å²	69	18%	0.18	37%	0.369	C	S	.	.	H	α-helix	trans	-105.1	-15.5	-164.1	-58.3	-68	0	0	0	114.7	P489 I491 L564 F567 F580 V586	P489-F584 HydrophobicContact CG-CE1 3.89Å; P489-F584 HydrophobicContact CG-CZ 4.09Å; I491-F584 HydrophobicContact CD1-CZ 4.05Å; L564-F584 HydrophobicContact CD1-CE1 4.23Å; L564-F584 HydrophobicContact CD2-CE1 3.9Å; L564-F584 HydrophobicContact CD2-CE2 4.19Å; L564-F584 HydrophobicContact CD2-CZ 3.52Å; F567-F584 HydrophobicContact CD1-CE2 4.17Å; F567-F584 HydrophobicContact CE1-CE2 4.05Å; F567-F584 HydrophobicContact CE1-CZ 4.44Å; F580-F584 AromaticContact CD1-CD2 3.95Å; F580-F584 HydrophobicContact CD1-CD2 3.95Å; F580-F584 AromaticContact CD2-CD2 3.85Å; F580-F584 HydrophobicContact CD2-CD2 3.85Å; F580-F584 AromaticContact CD2-CE2 3.82Å; F580-F584 HydrophobicContact CD2-CE2 3.82Å; F580-F584 AromaticContact CE1-CD2 3.81Å; F580-F584 HydrophobicContact CE1-CD2 3.81Å; F580-F584 HydrophobicContact CE1-CG 4.48Å; F580-F584 AromaticContact CE2-CD2 3.71Å; F580-F584 HydrophobicContact CE2-CD2 3.71Å; F580-F584 AromaticContact CE2-CE2 3.62Å; F580-F584 HydrophobicContact CE2-CE2 3.62Å; F580-F584 AromaticContact CG-CD2 3.98Å; F580-F584 HydrophobicContact CG-CD2 3.98Å; F580-F584 HydrophobicContact CG-CE2 4.39Å; F580-F584 AromaticContact CZ-CD2 3.7Å; F580-F584 HydrophobicContact CZ-CD2 3.7Å; F580-F584 HydrophobicContact CZ-CE2 4.02Å; F580-F584 VanDerWaalsContact O-CD2 3.31Å; F580-F584 WeakPolarHBondContact O-CD2 3.08Å; F580-F584 PolarHBondContact O-N 3.05Å; F580-F584 VanDerWaalsContact O-N 3.08Å; F584-V586 HydrophobicContact CB-CG2 3.82Å; F584-V586 PolarHBondContact O-N 3.5Å
585	G	72	Confident	80.4	Confident	59 Å²	59	70.5 Å²	70.5	61%	0.608	38%	0.378	S	S	*	.	S	Bend	trans	73.4	8.1	-174.3	0	0	0	0	0	114	P581	P581-G585 WeakPolarHBondContact O-CA 3.46Å; P581-G585 PolarHBondContact O-N 3.27Å
586	V	76	Confident	79.6	Confident	86 Å²	86	67.1 Å²	67.1	52%	0.521	36%	0.36	S	S	.	.	S	Bend	trans	-128.3	145.4	-179.6	-64.2	0	0	0	0	110.2	F580 P581 F584	F580-V586 HydrophobicContact CE1-CG2 4.26Å; P581-V586 VanDerWaalsContact CA-O 3.28Å; P581-V586 WeakPolarHBondContact CA-O 3.33Å; F584-V586 HydrophobicContact CB-CG2 3.82Å; F584-V586 PolarHBondContact O-N 3.5Å
587	H	79.1	Confident	78.6	Confident	165 Å²	165	71.5 Å²	71.5	76%	0.764	38%	0.384	S	S	*	.			trans	-69	132.8	171.9	-67.9	-68.8	0	0	0	110
588	G	73.5	Confident	77.7	Confident	14 Å²	14	74.6 Å²	74.6	14%	0.144	40%	0.395	C	S	.	.			trans	-72.5	149.7	176.8	0	0	0	0	0	111.6	Y568	Y568-G588 VanDerWaalsContact CE1-C 3.44Å; Y568-G588 PolarHBondContact OH-O 3.5Å
589	Q	71.2	Confident	76.9	Confident	166 Å²	166	73.8 Å²	73.8	78%	0.776	40%	0.395	S	S	*	.			trans	-126.6	128.9	171.2	-67.6	-179.9	-3.3	0	0	107.7
590	C	68.6	Low	75.8	Confident	70 Å²	70	79.9 Å²	79.9	47%	0.473	43%	0.428	S	S	.	.			trans	-68	144.1	165.8	-65.2	0	0	0	0	108.1
591	K	58.7	Low	74.7	Confident	227 Å²	227	86.1 Å²	86.1	99%	0.987	46%	0.462	S	S	*	.			trans	-66.4	0	170.9	-81.5	-175.3	178.2	171.9	0	111.7

Retrieved 591 of 591 residues in 1903.3 ms (Link to these results)

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