A0A087YKR6_POEFO Loading...

F-box/LRR-repeat protein 5

AlphaFold DB , UniProt , Accession A0A087YKR6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 698 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	35.2	Very low	74.2	Confident	223 Å²	223	63.5 Å²	63.5	100%	1.099	35%	0.354	S	S	*	.				0	125.2	0	-70.7	177.5	82.4	0	0	106.6
2	A	43.5	Very low	75.1	Confident	57 Å²	57	63.3 Å²	63.3	47%	0.471	36%	0.356	S	S	.	.			trans	-62.7	132.8	-178.4	0	0	0	0	0	109.6	F4	A2-F4 PolarHBondContact O-N 3.29Å
3	P	65	Low	75.6	Confident	113 Å²	113	60.6 Å²	60.6	73%	0.734	35%	0.351	S	S	*	.	S	Bend	trans	-73.1	-6	-172.7	24.8	-29.9	0	0	0	114.4
4	F	74.8	Confident	76.5	Confident	52 Å²	52	56.6 Å²	56.6	23%	0.228	33%	0.328	C	S	.	.	S	Bend	trans	-126.8	151.9	-175.9	-55.6	-71.8	0	0	0	112.1	A2 D6 Q135 P136 M139	A2-F4 PolarHBondContact O-N 3.29Å; F4-D6 PolarHBondContact O-N 3.46Å; F4-Q135 HydrophobicContact CB-CG 4.47Å; F4-Q135 HydrophobicContact CD2-CB 4.24Å; F4-Q135 HydrophobicContact CD2-CG 3.38Å; F4-Q135 HydrophobicContact CE2-CB 4.03Å; F4-Q135 HydrophobicContact CE2-CG 3.64Å; F4-Q135 HydrophobicContact CG-CG 3.89Å; F4-Q135 HydrophobicContact CZ-CG 4.34Å; F4-P136 HydrophobicContact CE1-CB 4.44Å; F4-P136 HydrophobicContact CZ-CB 3.94Å; F4-P136 HydrophobicContact CZ-CG 4.01Å; F4-M139 HydrophobicContact CD1-CG 4.42Å
5	P	83.3	Confident	77.4	Confident	62 Å²	62	52.9 Å²	52.9	40%	0.403	31%	0.306	S	S	.	.			trans	-62.2	134.1	176.8	-20.5	32.2	0	0	0	111.8	E7 V8 D9 Y144	P5-E7 HydrophobicContact CB-CG 4.35Å; P5-E7 PolarHBondContact O-N 3.07Å; P5-V8 HydrophobicContact CB-CG2 4.15Å; P5-V8 HydrophobicContact CG-CG2 4.31Å; P5-V8 VanDerWaalsContact O-CG2 3.29Å; P5-V8 WeakPolarHBondContact O-CG2 3.18Å; P5-V8 PolarHBondContact O-N 2.75Å; P5-D9 PolarHBondContact O-N 3.41Å; P5-Y144 VanDerWaalsContact CB-OH 3.29Å; P5-Y144 WeakPolarHBondContact CB-OH 3.3Å; P5-Y144 HydrophobicContact CG-CE2 4.23Å
6	D	77.8	Confident	77.9	Confident	86 Å²	86	55.4 Å²	55.4	46%	0.46	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-53.4	-33.3	-176.9	-70.2	-20.5	0	0	0	112.7	F4 V8 D9 K151	F4-D6 PolarHBondContact O-N 3.46Å; D6-V8 PolarHBondContact O-N 3.39Å; D6-D9 PolarHBondContact O-N 2.72Å; D6-K151 WeakPolarHBondContact O-CE 3.42Å; D6-K151 PolarHBondContact O-NZ 2.8Å
7	E	80.7	Confident	78.4	Confident	97 Å²	97	56.2 Å²	56.2	45%	0.453	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-69.8	-14.6	-176.8	58	-177.6	172.5	0	0	115	P5 Y144 K148 K151	P5-E7 HydrophobicContact CB-CG 4.35Å; P5-E7 PolarHBondContact O-N 3.07Å; E7-Y144 HydrophobicContact CG-CE1 4.03Å; E7-Y144 WeakPolarHBondContact CG-OH 3.14Å; E7-Y144 WeakPolarHBondContact OE1-CE1 3.43Å; E7-Y144 VanDerWaalsContact OE1-CZ 3.23Å; E7-Y144 PolarHBondContact OE1-OH 2.7Å; E7-K148 IonicContact OE1-NZ 3.87Å; E7-K148 WeakPolarHBondContact OE2-CE 3.47Å; E7-K148 IonicContact OE2-NZ 2.81Å; E7-K148 PolarHBondContact OE2-NZ 2.96Å; E7-K151 WeakPolarHBondContact O-CD 3.33Å
8	V	86.9	Confident	79.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-119.4	-1.2	178	-66.5	0	0	0	0	113.7	P5 D6 V10 Q135 M139 Y144 L147 K148	P5-V8 HydrophobicContact CB-CG2 4.15Å; P5-V8 HydrophobicContact CG-CG2 4.31Å; P5-V8 VanDerWaalsContact O-CG2 3.29Å; P5-V8 WeakPolarHBondContact O-CG2 3.18Å; P5-V8 PolarHBondContact O-N 2.75Å; D6-V8 PolarHBondContact O-N 3.39Å; V8-V10 PolarHBondContact O-N 2.72Å; V8-Q135 PolarHBondContact O-NE2 2.93Å; V8-M139 HydrophobicContact CB-SD 4.4Å; V8-M139 HydrophobicContact CG2-SD 3.82Å; V8-Y144 HydrophobicContact CB-CE2 4.25Å; V8-Y144 HydrophobicContact CG1-CD1 4.12Å; V8-Y144 HydrophobicContact CG1-CD2 3.65Å; V8-Y144 HydrophobicContact CG1-CE1 4.02Å; V8-Y144 HydrophobicContact CG1-CE2 3.5Å; V8-Y144 HydrophobicContact CG1-CG 3.95Å; V8-Y144 HydrophobicContact CG2-CD2 4.34Å; V8-Y144 HydrophobicContact CG2-CE2 3.71Å; V8-L147 HydrophobicContact CB-CB 3.95Å; V8-L147 HydrophobicContact CB-CD1 4.24Å; V8-L147 HydrophobicContact CG1-CB 3.91Å; V8-K148 HydrophobicContact CG1-CG 3.98Å
9	D	87.4	Confident	79.5	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.043	29%	0.293	C	S	.	.			trans	-74.8	112	174.3	-173.5	-31.3	0	0	0	110.5	P5 D6 F11 T12 K151	P5-D9 PolarHBondContact O-N 3.41Å; D6-D9 PolarHBondContact O-N 2.72Å; D9-F11 PolarHBondContact OD1-N 2.9Å; D9-T12 VanDerWaalsContact CG-OG1 3.26Å; D9-T12 WeakPolarHBondContact OD1-CB 3.23Å; D9-T12 PolarHBondContact OD1-N 2.96Å; D9-T12 PolarHBondContact OD1-OG1 3.28Å; D9-T12 WeakPolarHBondContact OD2-CB 3.4Å; D9-T12 PolarHBondContact OD2-OG1 3.34Å; D9-K151 VanDerWaalsContact O-CD 3.26Å; D9-K151 WeakPolarHBondContact O-CD 3.4Å; D9-K151 WeakPolarHBondContact O-CE 3.38Å; D9-K151 PolarHBondContact O-NZ 3.23Å
10	V	89.8	Confident	79.7	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	30%	0.296	C	S	.	.	S	Bend	trans	-94	-11.5	-176.7	-59.6	0	0	0	0	113.5	V8 I65 L138 I150 K151	V8-V10 PolarHBondContact O-N 2.72Å; V10-I65 HydrophobicContact CB-CD1 4.02Å; V10-I65 HydrophobicContact CG2-CD1 3.75Å; V10-I65 HydrophobicContact CG2-CG1 4.36Å; V10-I65 HydrophobicContact CG2-CG2 4.35Å; V10-L138 HydrophobicContact CG2-CD1 3.52Å; V10-I150 HydrophobicContact CG1-CG2 4.05Å; V10-K151 HydrophobicContact CG1-CB 3.94Å
11	F	91.6	Very high	80.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-109.8	-42.2	-169.1	-69.1	-65.5	0	0	0	113.6	D9 G13 P14 H15 E61 I65 E130 E131 F134 Q135 L138	D9-F11 PolarHBondContact OD1-N 2.9Å; F11-G13 VanDerWaalsContact C-N 3.29Å; F11-G13 PolarHBondContact O-N 2.91Å; F11-G13 VanDerWaalsContact O-N 3.16Å; F11-P14 VanDerWaalsContact O-CD 3.28Å; F11-P14 WeakPolarHBondContact O-CD 3.48Å; F11-H15 AromaticContact CD1-CE1 3.77Å; F11-H15 AromaticContact CD1-NE2 3.64Å; F11-H15 AromaticContact CG-CE1 3.99Å; F11-H15 WeakPolarHBondContact O-CB 3.24Å; F11-H15 PolarHBondContact O-CD2 3.02Å; F11-H15 PolarHBondContact O-N 3.03Å; F11-E61 WeakPolarHBondContact CD1-OE1 3.46Å; F11-I65 HydrophobicContact CD1-CD1 4.37Å; F11-I65 HydrophobicContact CE1-CD1 3.86Å; F11-I65 HydrophobicContact CE1-CG2 4.4Å; F11-I65 HydrophobicContact CZ-CD1 4.22Å; F11-I65 HydrophobicContact CZ-CG2 3.83Å; F11-E130 HydrophobicContact CD1-CB 3.91Å; F11-E130 HydrophobicContact CE1-CB 3.85Å; F11-E130 HydrophobicContact CE1-CG 4.16Å; F11-E130 WeakPolarHBondContact CE2-O 3.37Å; F11-E130 HydrophobicContact CG-CB 4.3Å; F11-E130 HydrophobicContact CZ-CB 4.16Å; F11-E131 HydrophobicContact CB-CG 4.09Å; F11-F134 HydrophobicContact CE2-CB 3.87Å; F11-F134 HydrophobicContact CZ-CB 3.87Å; F11-Q135 HydrophobicContact CD2-CB 4.07Å; F11-Q135 HydrophobicContact CE2-CB 4.34Å; F11-L138 HydrophobicContact CE2-CD1 3.74Å; F11-L138 HydrophobicContact CZ-CD1 4.21Å
12	T	85.8	Confident	82.6	Confident	61 Å²	61	43.4 Å²	43.4	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-58.1	-39.3	-170.8	-66	0	0	0	0	113.1	D9 W16	D9-T12 VanDerWaalsContact CG-OG1 3.26Å; D9-T12 WeakPolarHBondContact OD1-CB 3.23Å; D9-T12 PolarHBondContact OD1-N 2.96Å; D9-T12 PolarHBondContact OD1-OG1 3.28Å; D9-T12 WeakPolarHBondContact OD2-CB 3.4Å; D9-T12 PolarHBondContact OD2-OG1 3.34Å; T12-W16 WeakPolarHBondContact O-CB 3.49Å; T12-W16 PolarHBondContact O-N 3.37Å
13	G	81.3	Confident	84.2	Confident	28 Å²	28	42.7 Å²	42.7	29%	0.289	23%	0.233	S	C	.	.	H	α-helix	trans	-64.6	-59.8	177.8	0	0	0	0	0	112.7	F11 H15 W16 R17	F11-G13 VanDerWaalsContact C-N 3.29Å; F11-G13 PolarHBondContact O-N 2.91Å; F11-G13 VanDerWaalsContact O-N 3.16Å; G13-H15 PolarHBondContact O-N 2.68Å; G13-W16 WeakPolarHBondContact O-CB 3.49Å; G13-W16 PolarHBondContact O-N 3.17Å; G13-R17 PolarHBondContact O-N 3.26Å
14	P	87.9	Confident	85.1	Confident	5 Å²	5	41.7 Å²	41.7	3%	0.032	22%	0.221	C	C	.	.	H	α-helix	trans	-52.4	-46.5	172.5	-30.5	37.3	0	0	0	113.9	F11 W16 R17 M18 V154 I155	F11-P14 VanDerWaalsContact O-CD 3.28Å; F11-P14 WeakPolarHBondContact O-CD 3.48Å; P14-W16 VanDerWaalsContact C-N 3.32Å; P14-W16 PolarHBondContact O-N 3.05Å; P14-R17 WeakPolarHBondContact O-CB 3.47Å; P14-R17 PolarHBondContact O-N 3.36Å; P14-R17 VanDerWaalsContact O-N 3.08Å; P14-M18 WeakPolarHBondContact O-CG 3.01Å; P14-M18 PolarHBondContact O-N 3.14Å; P14-M18 VanDerWaalsContact O-N 3.1Å; P14-V154 HydrophobicContact CG-CG1 3.99Å; P14-I155 HydrophobicContact CG-CD1 4.46Å
15	H	90.8	Very high	85.7	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.8	-32.5	-177.6	-67.6	-178.6	0	0	0	113.1	F11 G13 R17 M18 K19 H57 E61 M127 E130 E131	F11-H15 AromaticContact CD1-CE1 3.77Å; F11-H15 AromaticContact CD1-NE2 3.64Å; F11-H15 AromaticContact CG-CE1 3.99Å; F11-H15 WeakPolarHBondContact O-CB 3.24Å; F11-H15 PolarHBondContact O-CD2 3.02Å; F11-H15 PolarHBondContact O-N 3.03Å; G13-H15 PolarHBondContact O-N 2.68Å; H15-R17 VanDerWaalsContact C-N 3.29Å; H15-R17 PolarHBondContact O-N 3.05Å; H15-M18 PolarHBondContact O-N 3.28Å; H15-K19 WeakPolarHBondContact O-CB 3.39Å; H15-K19 VanDerWaalsContact O-CG 3.25Å; H15-K19 WeakPolarHBondContact O-CG 3.19Å; H15-K19 PolarHBondContact O-N 3.11Å; H15-H57 AromaticContact CD2-CE1 3.44Å; H15-H57 PolarHBondContact CD2-CE1 2.81Å; H15-H57 VanDerWaalsContact CD2-CE1 3.44Å; H15-H57 AromaticContact CD2-NE2 3.32Å; H15-H57 PolarHBondContact CD2-NE2 3.02Å; H15-H57 VanDerWaalsContact CD2-NE2 3.32Å; H15-H57 AromaticContact NE2-CE1 3.73Å; H15-H57 AromaticContact NE2-NE2 3.66Å; H15-E61 IonicContact NE2-OE1 3.89Å; H15-E61 PolarHBondContact NE2-OE1 3.02Å; H15-M127 HydrophobicContact CB-SD 3.93Å; H15-M127 PolarHBondContact CE1-O 2.74Å; H15-M127 PolarHBondContact ND1-O 2.95Å; H15-E130 IonicContact CE1-OE2 2.79Å; H15-E130 PolarHBondContact CE1-OE2 2.7Å; H15-E130 VanDerWaalsContact CE1-OE2 3.23Å; H15-E130 IonicContact NE2-OE2 2.7Å; H15-E130 PolarHBondContact NE2-OE2 3.19Å; H15-E130 VanDerWaalsContact NE2-OE2 3.16Å; H15-E131 WeakPolarHBondContact CB-OE1 3.41Å; H15-E131 IonicContact CE1-OE1 3.34Å; H15-E131 IonicContact CG-OE1 3.46Å; H15-E131 WeakPolarHBondContact ND1-CG 3.48Å; H15-E131 IonicContact ND1-OE1 3.35Å; H15-E131 PolarHBondContact ND1-OE1 2.91Å
16	W	84.4	Confident	85.7	Confident	93 Å²	93	39 Å²	39	35%	0.352	21%	0.209	S	C	.	.	H	α-helix	trans	-57.9	-45.1	172.1	176.4	91	0	0	0	111.1	T12 G13 P14 M18 K19 Q20	T12-W16 WeakPolarHBondContact O-CB 3.49Å; T12-W16 PolarHBondContact O-N 3.37Å; G13-W16 WeakPolarHBondContact O-CB 3.49Å; G13-W16 PolarHBondContact O-N 3.17Å; P14-W16 VanDerWaalsContact C-N 3.32Å; P14-W16 PolarHBondContact O-N 3.05Å; W16-M18 VanDerWaalsContact C-N 3.34Å; W16-M18 PolarHBondContact O-N 3.31Å; W16-K19 PolarHBondContact O-N 3Å; W16-Q20 HydrophobicContact CD2-CG 4.2Å; W16-Q20 HydrophobicContact CE3-CG 4.34Å; W16-Q20 HydrophobicContact CH2-CG 4.43Å; W16-Q20 VanDerWaalsContact CZ2-CD 3.47Å; W16-Q20 HydrophobicContact CZ2-CG 4.28Å; W16-Q20 HydrophobicContact CZ3-CG 4.43Å; W16-Q20 WeakPolarHBondContact O-CG 3.25Å; W16-Q20 PolarHBondContact O-N 2.88Å
17	R	87	Confident	85.9	Confident	70 Å²	70	38.2 Å²	38.2	26%	0.264	21%	0.205	S	C	.	.	H	α-helix	trans	-63.6	-40.8	176.8	173.3	59.1	-179.9	179.3	1.3	111.3	G13 P14 H15 Q20 L21 E53	G13-R17 PolarHBondContact O-N 3.26Å; P14-R17 WeakPolarHBondContact O-CB 3.47Å; P14-R17 PolarHBondContact O-N 3.36Å; P14-R17 VanDerWaalsContact O-N 3.08Å; H15-R17 VanDerWaalsContact C-N 3.29Å; H15-R17 PolarHBondContact O-N 3.05Å; R17-Q20 WeakPolarHBondContact O-CB 3.42Å; R17-Q20 PolarHBondContact O-N 3.27Å; R17-L21 HydrophobicContact CG-CD1 4.43Å; R17-L21 WeakPolarHBondContact O-CG 3.4Å; R17-L21 PolarHBondContact O-N 3.09Å; R17-E53 WeakPolarHBondContact CG-OE1 3.33Å; R17-E53 IonicContact CZ-OE1 3.23Å; R17-E53 IonicContact CZ-OE2 3.95Å; R17-E53 IonicContact NE-OE1 2.82Å; R17-E53 PolarHBondContact NE-OE1 3.5Å; R17-E53 IonicContact NE-OE2 3.37Å; R17-E53 IonicContact NH2-OE1 2.62Å; R17-E53 PolarHBondContact NH2-OE1 3.17Å; R17-E53 IonicContact NH2-OE2 2.91Å; R17-E53 PolarHBondContact NH2-OE2 3.31Å
18	M	91	Very high	86.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-46.1	177.1	-58.6	-43.8	124.6	0	0	112.1	P14 H15 W16 Q20 L21 V22 F54 H57 F123 M127	P14-M18 WeakPolarHBondContact O-CG 3.01Å; P14-M18 PolarHBondContact O-N 3.14Å; P14-M18 VanDerWaalsContact O-N 3.1Å; H15-M18 PolarHBondContact O-N 3.28Å; W16-M18 VanDerWaalsContact C-N 3.34Å; W16-M18 PolarHBondContact O-N 3.31Å; M18-Q20 VanDerWaalsContact C-N 3.29Å; M18-Q20 PolarHBondContact O-N 3.07Å; M18-L21 WeakPolarHBondContact O-CB 3.48Å; M18-L21 PolarHBondContact O-N 2.58Å; M18-L21 VanDerWaalsContact O-N 3.15Å; M18-L21 HydrophobicContact SD-CD1 4.32Å; M18-V22 WeakPolarHBondContact O-CG2 3.38Å; M18-V22 PolarHBondContact O-N 3.45Å; M18-F54 HydrophobicContact CB-CD1 4.45Å; M18-F54 HydrophobicContact CB-CE1 4.11Å; M18-F54 HydrophobicContact CG-CD1 4.39Å; M18-F54 HydrophobicContact SD-CD1 3.5Å; M18-F54 VanDerWaalsContact SD-CD1 3.5Å; M18-F54 HydrophobicContact SD-CE1 3.88Å; M18-H57 HydrophobicContact CE-CB 3.94Å; M18-H57 VanDerWaalsContact CG-CD2 3.43Å; M18-H57 WeakPolarHBondContact CG-CD2 3.03Å; M18-H57 HydrophobicContact SD-CB 3.91Å; M18-F123 HydrophobicContact CB-CE1 4.11Å; M18-F123 HydrophobicContact CB-CZ 4.32Å; M18-F123 HydrophobicContact CG-CZ 4.43Å; M18-M127 HydrophobicContact CB-CE 4.2Å; M18-M127 HydrophobicContact CB-SD 3.5Å; M18-M127 WeakPolarHBondContact CB-SD 3.09Å; M18-M127 HydrophobicContact CG-SD 4.1Å
19	K	86.6	Confident	86.1	Confident	84 Å²	84	39.1 Å²	39.1	37%	0.365	21%	0.208	S	C	.	.	H	α-helix	trans	-60.6	-36.9	175.1	-70.3	165.9	-174	163.6	0	111.6	H15 W16 V22 G23 L124 M127 E131	H15-K19 WeakPolarHBondContact O-CB 3.39Å; H15-K19 VanDerWaalsContact O-CG 3.25Å; H15-K19 WeakPolarHBondContact O-CG 3.19Å; H15-K19 PolarHBondContact O-N 3.11Å; W16-K19 PolarHBondContact O-N 3Å; K19-V22 PolarHBondContact O-N 3.01Å; K19-G23 PolarHBondContact O-N 3.24Å; K19-L124 HydrophobicContact CG-CD2 4.15Å; K19-M127 HydrophobicContact CG-CE 3.95Å; K19-E131 IonicContact NZ-OE1 3Å; K19-E131 PolarHBondContact NZ-OE1 2.73Å; K19-E131 IonicContact NZ-OE2 3.95Å
20	Q	83.8	Confident	86	Confident	75 Å²	75	43.2 Å²	43.2	35%	0.35	24%	0.238	S	C	.	.	H	α-helix	trans	-63.6	-46.3	172.3	-77.5	-160.1	-25	0	0	112.9	W16 R17 M18 V22 G23 L24	W16-Q20 HydrophobicContact CD2-CG 4.2Å; W16-Q20 HydrophobicContact CE3-CG 4.34Å; W16-Q20 HydrophobicContact CH2-CG 4.43Å; W16-Q20 VanDerWaalsContact CZ2-CD 3.47Å; W16-Q20 HydrophobicContact CZ2-CG 4.28Å; W16-Q20 HydrophobicContact CZ3-CG 4.43Å; W16-Q20 WeakPolarHBondContact O-CG 3.25Å; W16-Q20 PolarHBondContact O-N 2.88Å; R17-Q20 WeakPolarHBondContact O-CB 3.42Å; R17-Q20 PolarHBondContact O-N 3.27Å; M18-Q20 VanDerWaalsContact C-N 3.29Å; M18-Q20 PolarHBondContact O-N 3.07Å; Q20-V22 VanDerWaalsContact C-N 3.27Å; Q20-V22 PolarHBondContact O-N 3.19Å; Q20-G23 PolarHBondContact O-N 3.44Å; Q20-G23 VanDerWaalsContact O-N 3.15Å; Q20-L24 WeakPolarHBondContact O-CG 3.35Å; Q20-L24 PolarHBondContact O-N 3.45Å
21	L	86.8	Confident	85.9	Confident	8 Å²	8	50 Å²	50	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-37.4	177.5	-73.4	171.1	0	0	0	111.9	R17 M18 L24 Y25 T50 E53 F54	R17-L21 HydrophobicContact CG-CD1 4.43Å; R17-L21 WeakPolarHBondContact O-CG 3.4Å; R17-L21 PolarHBondContact O-N 3.09Å; M18-L21 WeakPolarHBondContact O-CB 3.48Å; M18-L21 PolarHBondContact O-N 2.58Å; M18-L21 VanDerWaalsContact O-N 3.15Å; M18-L21 HydrophobicContact SD-CD1 4.32Å; L21-L24 HydrophobicContact CD2-CD1 4.41Å; L21-L24 PolarHBondContact O-N 3.37Å; L21-Y25 WeakPolarHBondContact O-CD1 3.43Å; L21-Y25 PolarHBondContact O-N 3.17Å; L21-T50 HydrophobicContact CB-CG2 3.8Å; L21-T50 HydrophobicContact CD1-CG2 4.38Å; L21-T50 HydrophobicContact CD2-CG2 4.35Å; L21-T50 HydrophobicContact CG-CG2 4.41Å; L21-E53 HydrophobicContact CD1-CB 4.09Å; L21-E53 VanDerWaalsContact CD1-CD 3.48Å; L21-E53 HydrophobicContact CD1-CG 3.99Å; L21-E53 WeakPolarHBondContact CD1-OE2 3.26Å; L21-F54 HydrophobicContact CB-CE1 3.75Å; L21-F54 HydrophobicContact CB-CZ 3.92Å; L21-F54 HydrophobicContact CD1-CD1 4.33Å; L21-F54 HydrophobicContact CD1-CE1 3.87Å; L21-F54 HydrophobicContact CG-CE1 4.49Å
22	V	87.8	Confident	85.9	Confident	12 Å²	12	51.3 Å²	51.3	7%	0.073	28%	0.275	C	S	.	.	H	α-helix	trans	-57.5	-51.8	170.4	172.5	0	0	0	0	111.3	M18 K19 Q20 L24 Y25 C26 F54 T120 F123 L124	M18-V22 WeakPolarHBondContact O-CG2 3.38Å; M18-V22 PolarHBondContact O-N 3.45Å; K19-V22 PolarHBondContact O-N 3.01Å; Q20-V22 VanDerWaalsContact C-N 3.27Å; Q20-V22 PolarHBondContact O-N 3.19Å; V22-L24 VanDerWaalsContact C-N 3.3Å; V22-L24 PolarHBondContact O-N 3.48Å; V22-Y25 HydrophobicContact CB-CE1 4.03Å; V22-Y25 HydrophobicContact CG1-CE1 4.35Å; V22-Y25 HydrophobicContact CG2-CE1 3.85Å; V22-Y25 PolarHBondContact O-N 2.83Å; V22-C26 WeakPolarHBondContact O-CB 3.19Å; V22-C26 PolarHBondContact O-N 2.83Å; V22-C26 PolarHBondContact O-SG 3.34Å; V22-F54 HydrophobicContact CG2-CZ 3.85Å; V22-T120 HydrophobicContact CG1-CG2 3.63Å; V22-F123 HydrophobicContact CG2-CD1 4.19Å; V22-F123 HydrophobicContact CG2-CE1 4.42Å; V22-L124 HydrophobicContact CG2-CD2 4.48Å
23	G	79	Confident	86.2	Confident	41 Å²	41	52.5 Å²	52.5	42%	0.423	28%	0.279	S	S	.	.	H	α-helix	trans	-56.7	-43.5	175.7	0	0	0	0	0	112.8	K19 Q20 C26 D27	K19-G23 PolarHBondContact O-N 3.24Å; Q20-G23 PolarHBondContact O-N 3.44Å; Q20-G23 VanDerWaalsContact O-N 3.15Å; G23-C26 PolarHBondContact O-N 3.14Å; G23-D27 WeakPolarHBondContact O-CB 3.46Å; G23-D27 PolarHBondContact O-N 3.43Å
24	L	82.5	Confident	86.8	Confident	92 Å²	92	52.7 Å²	52.7	48%	0.482	27%	0.272	S	S	.	.	H	α-helix	trans	-64.8	-44.3	-179.1	-73.6	171.6	0	0	0	112.9	Q20 L21 V22 K28	Q20-L24 WeakPolarHBondContact O-CG 3.35Å; Q20-L24 PolarHBondContact O-N 3.45Å; L21-L24 HydrophobicContact CD2-CD1 4.41Å; L21-L24 PolarHBondContact O-N 3.37Å; V22-L24 VanDerWaalsContact C-N 3.3Å; V22-L24 PolarHBondContact O-N 3.48Å; L24-K28 WeakPolarHBondContact O-CB 3.04Å; L24-K28 WeakPolarHBondContact O-CG 3.49Å; L24-K28 PolarHBondContact O-N 2.97Å
25	Y	87.9	Confident	86.9	Confident	3 Å²	3	54.5 Å²	54.5	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-74.4	-31.5	178.2	75.3	-115.5	0	0	0	112.5	L21 V22 K28 L29 L47 T50 F51 F54 L116 T120	L21-Y25 WeakPolarHBondContact O-CD1 3.43Å; L21-Y25 PolarHBondContact O-N 3.17Å; V22-Y25 HydrophobicContact CB-CE1 4.03Å; V22-Y25 HydrophobicContact CG1-CE1 4.35Å; V22-Y25 HydrophobicContact CG2-CE1 3.85Å; V22-Y25 PolarHBondContact O-N 2.83Å; Y25-K28 PolarHBondContact O-N 3.08Å; Y25-L29 WeakPolarHBondContact O-CB 3.38Å; Y25-L29 PolarHBondContact O-N 2.84Å; Y25-L47 HydrophobicContact CD1-CD2 4.47Å; Y25-L47 HydrophobicContact CD2-CD2 4.29Å; Y25-L47 HydrophobicContact CG-CD2 3.93Å; Y25-T50 HydrophobicContact CD1-CG2 3.96Å; Y25-T50 HydrophobicContact CE1-CG2 4.5Å; Y25-F51 HydrophobicContact CD1-CE2 4.48Å; Y25-F51 HydrophobicContact CE1-CE2 4.25Å; Y25-F54 AromaticContact CE1-CE2 3.93Å; Y25-F54 HydrophobicContact CE1-CE2 3.93Å; Y25-F54 HydrophobicContact CE1-CZ 4.01Å; Y25-L116 HydrophobicContact CE2-CD2 4.41Å; Y25-T120 PolarHBondContact OH-OG1 3.36Å
26	C	82.9	Confident	87.1	Confident	55 Å²	55	57.4 Å²	57.4	37%	0.372	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-43.6	173.6	-75.2	0	0	0	0	111.3	V22 G23 L29 S30	V22-C26 WeakPolarHBondContact O-CB 3.19Å; V22-C26 PolarHBondContact O-N 2.83Å; V22-C26 PolarHBondContact O-SG 3.34Å; G23-C26 PolarHBondContact O-N 3.14Å; C26-L29 WeakPolarHBondContact O-CB 3.36Å; C26-L29 PolarHBondContact O-N 3.26Å; C26-S30 PolarHBondContact O-N 2.93Å; C26-S30 VanDerWaalsContact O-N 3.12Å
27	D	81.6	Confident	87.4	Confident	70 Å²	70	55.9 Å²	55.9	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-48.7	174.7	-176.5	69	0	0	0	111.1	G23 L29 S30 K31	G23-D27 WeakPolarHBondContact O-CB 3.46Å; G23-D27 PolarHBondContact O-N 3.43Å; D27-L29 VanDerWaalsContact C-N 3.33Å; D27-L29 PolarHBondContact O-N 3.2Å; D27-S30 PolarHBondContact O-N 3.1Å; D27-S30 PolarHBondContact O-OG 3.26Å; D27-K31 PolarHBondContact O-N 3.21Å; D27-K31 WeakPolarHBondContact OD1-CE 3.35Å; D27-K31 IonicContact OD1-NZ 3.01Å; D27-K31 PolarHBondContact OD1-NZ 3.24Å; D27-K31 WeakPolarHBondContact OD2-CE 3.17Å; D27-K31 IonicContact OD2-NZ 3.75Å; D27-K31 PolarHBondContact OD2-NZ 2.98Å
28	K	84.7	Confident	87.6	Confident	89 Å²	89	58.4 Å²	58.4	39%	0.387	32%	0.318	S	S	.	.	H	α-helix	trans	-60.8	-40.1	175.5	-75.1	-174.2	-178.2	-169	0	112.4	L24 Y25 S30 K31 T32 F43 S46	L24-K28 WeakPolarHBondContact O-CB 3.04Å; L24-K28 WeakPolarHBondContact O-CG 3.49Å; L24-K28 PolarHBondContact O-N 2.97Å; Y25-K28 PolarHBondContact O-N 3.08Å; K28-S30 VanDerWaalsContact C-N 3.28Å; K28-S30 PolarHBondContact O-N 3.31Å; K28-K31 PolarHBondContact O-N 3.03Å; K28-K31 VanDerWaalsContact O-N 3.17Å; K28-T32 WeakPolarHBondContact O-CB 3.16Å; K28-T32 PolarHBondContact O-N 3.23Å; K28-T32 PolarHBondContact O-OG1 2.91Å; K28-F43 HydrophobicContact CB-CD2 3.79Å; K28-F43 HydrophobicContact CB-CE2 3.71Å; K28-S46 PolarHBondContact NZ-OG 3.24Å
29	L	87.6	Confident	87.6	Confident	26 Å²	26	61.8 Å²	61.8	14%	0.136	34%	0.336	C	S	.	.	H	α-helix	trans	-58.2	-42.1	177.7	178.7	60	0	0	0	111.1	Y25 C26 D27 K31 F34 F43 K113 L116	Y25-L29 WeakPolarHBondContact O-CB 3.38Å; Y25-L29 PolarHBondContact O-N 2.84Å; C26-L29 WeakPolarHBondContact O-CB 3.36Å; C26-L29 PolarHBondContact O-N 3.26Å; D27-L29 VanDerWaalsContact C-N 3.33Å; D27-L29 PolarHBondContact O-N 3.2Å; L29-K31 VanDerWaalsContact C-N 3.32Å; L29-K31 PolarHBondContact O-N 3.05Å; L29-F34 HydrophobicContact CD1-CE2 4.11Å; L29-F34 HydrophobicContact CD1-CZ 3.71Å; L29-F43 HydrophobicContact CB-CE1 4.44Å; L29-F43 HydrophobicContact CB-CE2 4.16Å; L29-F43 HydrophobicContact CB-CZ 3.65Å; L29-F43 HydrophobicContact CD1-CE1 3.68Å; L29-F43 HydrophobicContact CD1-CZ 3.72Å; L29-F43 HydrophobicContact CG-CZ 4.25Å; L29-K113 HydrophobicContact CD2-CG 4.34Å; L29-L116 HydrophobicContact CD1-CD1 4.44Å; L29-L116 HydrophobicContact CD2-CD1 4.24Å
30	S	84.9	Confident	88	Confident	94 Å²	94	57.8 Å²	57.8	66%	0.657	32%	0.319	S	S	*	.	H	α-helix	trans	-70.2	-26.4	179.4	75.7	0	0	0	0	113.9	C26 D27 K28	C26-S30 PolarHBondContact O-N 2.93Å; C26-S30 VanDerWaalsContact O-N 3.12Å; D27-S30 PolarHBondContact O-N 3.1Å; D27-S30 PolarHBondContact O-OG 3.26Å; K28-S30 VanDerWaalsContact C-N 3.28Å; K28-S30 PolarHBondContact O-N 3.31Å
31	K	87.3	Confident	88.4	Confident	144 Å²	144	57.7 Å²	57.7	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-101.2	-13.9	-175.3	-66.8	172.8	-174.8	166.1	0	113.9	D27 K28 L29 N33	D27-K31 PolarHBondContact O-N 3.21Å; D27-K31 WeakPolarHBondContact OD1-CE 3.35Å; D27-K31 IonicContact OD1-NZ 3.01Å; D27-K31 PolarHBondContact OD1-NZ 3.24Å; D27-K31 WeakPolarHBondContact OD2-CE 3.17Å; D27-K31 IonicContact OD2-NZ 3.75Å; D27-K31 PolarHBondContact OD2-NZ 2.98Å; K28-K31 PolarHBondContact O-N 3.03Å; K28-K31 VanDerWaalsContact O-N 3.17Å; L29-K31 VanDerWaalsContact C-N 3.32Å; L29-K31 PolarHBondContact O-N 3.05Å; K31-N33 PolarHBondContact O-N 3.4Å
32	T	92.7	Very high	88.8	Confident	27 Å²	27	60.6 Å²	60.6	17%	0.166	34%	0.336	C	S	.	.			trans	-72.1	125.9	-176.3	-64.4	0	0	0	0	110.4	K28 F34 D39 F43	K28-T32 WeakPolarHBondContact O-CB 3.16Å; K28-T32 PolarHBondContact O-N 3.23Å; K28-T32 PolarHBondContact O-OG1 2.91Å; T32-F34 HydrophobicContact CG2-CD1 4.28Å; T32-F34 HydrophobicContact CG2-CD2 4.4Å; T32-F34 HydrophobicContact CG2-CE1 4.02Å; T32-F34 HydrophobicContact CG2-CE2 4.15Å; T32-F34 HydrophobicContact CG2-CG 4.46Å; T32-F34 HydrophobicContact CG2-CZ 3.93Å; T32-F34 VanDerWaalsContact O-CD2 3.31Å; T32-F34 WeakPolarHBondContact O-CD2 3.25Å; T32-F34 PolarHBondContact O-N 2.83Å; T32-D39 HydrophobicContact CG2-CB 4.24Å; T32-F43 HydrophobicContact CG2-CB 3.78Å; T32-F43 HydrophobicContact CG2-CD1 4.34Å; T32-F43 HydrophobicContact CG2-CG 4.12Å
33	N	92.5	Very high	89.1	Confident	86 Å²	86	60.2 Å²	60.2	46%	0.46	33%	0.334	S	S	.	.			trans	-82.3	100.6	170.8	-176.7	-7.3	0	0	0	110.4	K31 S35 N36	K31-N33 PolarHBondContact O-N 3.4Å; N33-S35 PolarHBondContact O-N 2.92Å; N33-S35 PolarHBondContact OD1-N 3.35Å; N33-S35 VanDerWaalsContact OD1-N 3.11Å; N33-N36 HydrophobicContact CB-CB 4.29Å; N33-N36 PolarHBondContact O-N 3.08Å
34	F	92.8	Very high	89.8	Confident	32 Å²	32	58.2 Å²	58.2	14%	0.14	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-11	-177.4	-71.6	-78.6	0	0	0	115.3	L29 T32 N36 F40 F43 Q105 L106 A109 L112	L29-F34 HydrophobicContact CD1-CE2 4.11Å; L29-F34 HydrophobicContact CD1-CZ 3.71Å; T32-F34 HydrophobicContact CG2-CD1 4.28Å; T32-F34 HydrophobicContact CG2-CD2 4.4Å; T32-F34 HydrophobicContact CG2-CE1 4.02Å; T32-F34 HydrophobicContact CG2-CE2 4.15Å; T32-F34 HydrophobicContact CG2-CG 4.46Å; T32-F34 HydrophobicContact CG2-CZ 3.93Å; T32-F34 VanDerWaalsContact O-CD2 3.31Å; T32-F34 WeakPolarHBondContact O-CD2 3.25Å; T32-F34 PolarHBondContact O-N 2.83Å; F34-N36 VanDerWaalsContact C-N 3.35Å; F34-F40 AromaticContact CD1-CD2 3.86Å; F34-F40 HydrophobicContact CD1-CD2 3.86Å; F34-F40 HydrophobicContact CD1-CE2 4.44Å; F34-F40 HydrophobicContact CE1-CD2 4.29Å; F34-F43 AromaticContact CE1-CD1 3.87Å; F34-F43 HydrophobicContact CE1-CD1 3.87Å; F34-F43 HydrophobicContact CE1-CE1 4.2Å; F34-F43 AromaticContact CZ-CD1 3.84Å; F34-F43 HydrophobicContact CZ-CD1 3.84Å; F34-F43 AromaticContact CZ-CE1 3.85Å; F34-F43 HydrophobicContact CZ-CE1 3.85Å; F34-Q105 VanDerWaalsContact O-CB 3.32Å; F34-Q105 WeakPolarHBondContact O-CB 3.43Å; F34-Q105 PolarHBondContact O-OE1 3.48Å; F34-L106 HydrophobicContact CB-CD2 4Å; F34-A109 HydrophobicContact CB-CB 3.86Å; F34-A109 HydrophobicContact CD1-CB 3.26Å; F34-A109 HydrophobicContact CD2-CB 4.09Å; F34-A109 HydrophobicContact CE1-CB 3.79Å; F34-A109 HydrophobicContact CG-CB 3.46Å; F34-A109 VanDerWaalsContact CG-CB 3.46Å; F34-A109 HydrophobicContact CZ-CB 4.39Å; F34-L112 HydrophobicContact CE1-CD2 4.31Å
35	S	90.8	Very high	90.3	Very high	44 Å²	44	59.6 Å²	59.6	31%	0.308	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.9	169.2	-78.7	0	0	0	0	112.4	N33 E102	N33-S35 PolarHBondContact O-N 2.92Å; N33-S35 PolarHBondContact OD1-N 3.35Å; N33-S35 VanDerWaalsContact OD1-N 3.11Å; S35-E102 VanDerWaalsContact CB-OE1 3.25Å; S35-E102 WeakPolarHBondContact CB-OE1 3.22Å; S35-E102 PolarHBondContact OG-OE1 2.96Å
36	N	93.6	Very high	90.6	Very high	61 Å²	61	60.7 Å²	60.7	33%	0.326	33%	0.325	S	S	.	.	S	Bend	trans	-92.5	119.3	179.1	-174.6	-47.1	0	0	0	110.6	N33 F34 N38 D39 F40	N33-N36 HydrophobicContact CB-CB 4.29Å; N33-N36 PolarHBondContact O-N 3.08Å; F34-N36 VanDerWaalsContact C-N 3.35Å; N36-N38 VanDerWaalsContact C-N 3.32Å; N36-N38 PolarHBondContact O-N 3.35Å; N36-N38 WeakPolarHBondContact OD1-CB 3.5Å; N36-N38 PolarHBondContact OD1-N 2.79Å; N36-D39 HydrophobicContact CB-CB 4.09Å; N36-D39 PolarHBondContact O-N 3.4Å; N36-D39 PolarHBondContact OD1-N 3.44Å; N36-F40 WeakPolarHBondContact O-CB 3.22Å; N36-F40 PolarHBondContact O-N 2.8Å
37	N	91.3	Very high	91.1	Very high	61 Å²	61	58 Å²	58	33%	0.326	31%	0.307	S	S	.	.	H	α-helix	trans	-62	-36	-177.2	-171.5	-104.5	0	0	0	113.6	R41 Q105	N37-R41 WeakPolarHBondContact O-CB 3.29Å; N37-R41 WeakPolarHBondContact O-CG 3.38Å; N37-R41 PolarHBondContact O-N 3Å; N37-Q105 PolarHBondContact ND2-NE2 2.99Å
38	N	92.1	Very high	91.6	Very high	123 Å²	123	55.3 Å²	55.3	66%	0.658	29%	0.294	S	S	*	.	H	α-helix	trans	-69.3	-43.6	179.6	-67.8	-31.1	0	0	0	110.8	N36 R41 S42	N36-N38 VanDerWaalsContact C-N 3.32Å; N36-N38 PolarHBondContact O-N 3.35Å; N36-N38 WeakPolarHBondContact OD1-CB 3.5Å; N36-N38 PolarHBondContact OD1-N 2.79Å; N38-R41 PolarHBondContact O-N 3.32Å; N38-S42 WeakPolarHBondContact O-CB 3.42Å; N38-S42 PolarHBondContact O-N 3.02Å
39	D	91.3	Very high	91.9	Very high	71 Å²	71	54 Å²	54	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-65.7	-42.6	177.6	-64.3	-19.8	0	0	0	110.7	T32 N36 S42 F43	T32-D39 HydrophobicContact CG2-CB 4.24Å; N36-D39 HydrophobicContact CB-CB 4.09Å; N36-D39 PolarHBondContact O-N 3.4Å; N36-D39 PolarHBondContact OD1-N 3.44Å; D39-S42 PolarHBondContact O-N 3.19Å; D39-F43 VanDerWaalsContact O-CB 3.32Å; D39-F43 WeakPolarHBondContact O-CB 3.2Å; D39-F43 PolarHBondContact O-N 3.42Å
40	F	93.4	Very high	92.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.2	-51.4	173.9	175.7	-106.2	0	0	0	112.6	F34 N36 F43 L44 V99 Q105 Y108	F34-F40 AromaticContact CD1-CD2 3.86Å; F34-F40 HydrophobicContact CD1-CD2 3.86Å; F34-F40 HydrophobicContact CD1-CE2 4.44Å; F34-F40 HydrophobicContact CE1-CD2 4.29Å; N36-F40 WeakPolarHBondContact O-CB 3.22Å; N36-F40 PolarHBondContact O-N 2.8Å; F40-F43 PolarHBondContact O-N 3.15Å; F40-L44 HydrophobicContact CD1-CD1 4.28Å; F40-L44 HydrophobicContact CE1-CD1 3.59Å; F40-L44 HydrophobicContact CE2-CD1 4Å; F40-L44 HydrophobicContact CE2-CG 4.35Å; F40-L44 HydrophobicContact CZ-CD1 3.45Å; F40-L44 VanDerWaalsContact CZ-CD1 3.45Å; F40-L44 HydrophobicContact CZ-CG 4.27Å; F40-L44 WeakPolarHBondContact O-CG 3.28Å; F40-L44 PolarHBondContact O-N 2.63Å; F40-V99 HydrophobicContact CE1-CB 4.05Å; F40-V99 HydrophobicContact CE1-CG1 3.88Å; F40-V99 HydrophobicContact CZ-CB 4.23Å; F40-V99 HydrophobicContact CZ-CG1 3.99Å; F40-V99 HydrophobicContact CZ-CG2 4.39Å; F40-Q105 HydrophobicContact CD1-CG 3.9Å; F40-Q105 HydrophobicContact CD2-CB 4.41Å; F40-Q105 HydrophobicContact CD2-CG 4.39Å; F40-Q105 HydrophobicContact CE1-CG 4.09Å; F40-Q105 HydrophobicContact CG-CB 4.49Å; F40-Q105 HydrophobicContact CG-CG 4.05Å; F40-Q105 HydrophobicContact CZ-CG 4.39Å; F40-Y108 AromaticContact CE2-CD1 3.62Å; F40-Y108 HydrophobicContact CE2-CD1 3.62Å; F40-Y108 HydrophobicContact CE2-CE1 4.18Å; F40-Y108 HydrophobicContact CE2-CG 4.43Å; F40-Y108 AromaticContact CZ-CD1 3.61Å; F40-Y108 HydrophobicContact CZ-CD1 3.61Å; F40-Y108 HydrophobicContact CZ-CE1 4.06Å; F40-Y108 HydrophobicContact CZ-CG 4.15Å
41	R	92.7	Very high	92.6	Very high	72 Å²	72	48.7 Å²	48.7	27%	0.272	26%	0.264	S	S	.	.	H	α-helix	trans	-67.4	-40.3	-179.1	-67.2	-66.6	179.7	99.6	-7.2	111.6	N37 N38 L44 Q45 L96 V99	N37-R41 WeakPolarHBondContact O-CB 3.29Å; N37-R41 WeakPolarHBondContact O-CG 3.38Å; N37-R41 PolarHBondContact O-N 3Å; N38-R41 PolarHBondContact O-N 3.32Å; R41-L44 PolarHBondContact O-N 3.24Å; R41-Q45 WeakPolarHBondContact O-CB 3.25Å; R41-Q45 VanDerWaalsContact O-CG 3.28Å; R41-Q45 WeakPolarHBondContact O-CG 3.49Å; R41-Q45 PolarHBondContact O-N 3.13Å; R41-L96 HydrophobicContact CB-CD2 4.44Å; R41-L96 PolarHBondContact NH1-O 3.29Å; R41-L96 VanDerWaalsContact NH1-O 3.15Å; R41-L96 PolarHBondContact NH2-O 3.22Å; R41-V99 PolarHBondContact NH2-O 3.23Å
42	S	94.4	Very high	92.8	Very high	69 Å²	69	47.7 Å²	47.7	48%	0.483	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-43.8	175.6	-179.4	0	0	0	0	111.6	N38 D39 Q45 S46	N38-S42 WeakPolarHBondContact O-CB 3.42Å; N38-S42 PolarHBondContact O-N 3.02Å; D39-S42 PolarHBondContact O-N 3.19Å; S42-Q45 PolarHBondContact O-N 3.48Å; S42-S46 WeakPolarHBondContact O-CB 3.48Å; S42-S46 PolarHBondContact O-N 3.19Å
43	F	94.9	Very high	92.8	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-46	176.7	-178.8	-120.6	0	0	0	112.1	K28 L29 T32 F34 D39 F40 Q45 S46 L47 L112 L116	K28-F43 HydrophobicContact CB-CD2 3.79Å; K28-F43 HydrophobicContact CB-CE2 3.71Å; L29-F43 HydrophobicContact CB-CE1 4.44Å; L29-F43 HydrophobicContact CB-CE2 4.16Å; L29-F43 HydrophobicContact CB-CZ 3.65Å; L29-F43 HydrophobicContact CD1-CE1 3.68Å; L29-F43 HydrophobicContact CD1-CZ 3.72Å; L29-F43 HydrophobicContact CG-CZ 4.25Å; T32-F43 HydrophobicContact CG2-CB 3.78Å; T32-F43 HydrophobicContact CG2-CD1 4.34Å; T32-F43 HydrophobicContact CG2-CG 4.12Å; F34-F43 AromaticContact CE1-CD1 3.87Å; F34-F43 HydrophobicContact CE1-CD1 3.87Å; F34-F43 HydrophobicContact CE1-CE1 4.2Å; F34-F43 AromaticContact CZ-CD1 3.84Å; F34-F43 HydrophobicContact CZ-CD1 3.84Å; F34-F43 AromaticContact CZ-CE1 3.85Å; F34-F43 HydrophobicContact CZ-CE1 3.85Å; D39-F43 VanDerWaalsContact O-CB 3.32Å; D39-F43 WeakPolarHBondContact O-CB 3.2Å; D39-F43 PolarHBondContact O-N 3.42Å; F40-F43 PolarHBondContact O-N 3.15Å; F43-Q45 PolarHBondContact O-N 2.88Å; F43-S46 WeakPolarHBondContact O-CB 3.18Å; F43-S46 PolarHBondContact O-N 3.48Å; F43-L47 HydrophobicContact CD1-CD1 4.03Å; F43-L47 HydrophobicContact CE1-CD1 3.53Å; F43-L47 HydrophobicContact CE1-CG 4.28Å; F43-L47 HydrophobicContact CE2-CD1 4.26Å; F43-L47 HydrophobicContact CE2-CD2 4.35Å; F43-L47 HydrophobicContact CE2-CG 4.13Å; F43-L47 HydrophobicContact CZ-CD1 3.64Å; F43-L47 HydrophobicContact CZ-CD2 4.16Å; F43-L47 HydrophobicContact CZ-CG 3.97Å; F43-L47 PolarHBondContact O-N 3.06Å; F43-L112 HydrophobicContact CD1-CD2 4.1Å; F43-L112 HydrophobicContact CE1-CD2 3.73Å; F43-L116 HydrophobicContact CE1-CD1 4.45Å; F43-L116 HydrophobicContact CZ-CD1 4.25Å
44	L	94.4	Very high	92.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-39.3	175.8	-72.5	-173.2	0	0	0	113.2	F40 R41 S46 L47 C48 F92 L96 Y108 L112	F40-L44 HydrophobicContact CD1-CD1 4.28Å; F40-L44 HydrophobicContact CE1-CD1 3.59Å; F40-L44 HydrophobicContact CE2-CD1 4Å; F40-L44 HydrophobicContact CE2-CG 4.35Å; F40-L44 HydrophobicContact CZ-CD1 3.45Å; F40-L44 VanDerWaalsContact CZ-CD1 3.45Å; F40-L44 HydrophobicContact CZ-CG 4.27Å; F40-L44 WeakPolarHBondContact O-CG 3.28Å; F40-L44 PolarHBondContact O-N 2.63Å; R41-L44 PolarHBondContact O-N 3.24Å; L44-S46 VanDerWaalsContact C-N 3.33Å; L44-L47 HydrophobicContact CD2-CD1 4.21Å; L44-L47 PolarHBondContact O-N 3.37Å; L44-C48 PolarHBondContact O-N 3.45Å; L44-C48 PolarHBondContact O-SG 3.1Å; L44-F92 HydrophobicContact CD2-CD1 4.38Å; L44-L96 HydrophobicContact CB-CD1 4.5Å; L44-L96 HydrophobicContact CB-CD2 3.71Å; L44-L96 HydrophobicContact CB-CG 3.94Å; L44-L96 HydrophobicContact CD1-CD2 4.18Å; L44-L96 HydrophobicContact CD1-CG 4.13Å; L44-Y108 HydrophobicContact CD1-CE1 4.19Å; L44-Y108 HydrophobicContact CD2-CE1 3.97Å; L44-L112 HydrophobicContact CD2-CD1 4.21Å; L44-L112 HydrophobicContact CD2-CD2 3.69Å
45	Q	92.8	Very high	92.7	Very high	121 Å²	121	45.2 Å²	45.2	57%	0.565	24%	0.243	S	C	*	.	H	α-helix	trans	-63.6	-40.2	174	-74.9	172	-13.6	0	0	111.7	R41 S42 F43 C48 A49 L96	R41-Q45 WeakPolarHBondContact O-CB 3.25Å; R41-Q45 VanDerWaalsContact O-CG 3.28Å; R41-Q45 WeakPolarHBondContact O-CG 3.49Å; R41-Q45 PolarHBondContact O-N 3.13Å; S42-Q45 PolarHBondContact O-N 3.48Å; F43-Q45 PolarHBondContact O-N 2.88Å; Q45-C48 PolarHBondContact O-N 3.41Å; Q45-A49 PolarHBondContact O-N 2.83Å; Q45-L96 HydrophobicContact CG-CD1 4.42Å; Q45-L96 HydrophobicContact CG-CD2 4.15Å
46	S	93.7	Very high	92.6	Very high	25 Å²	25	44.5 Å²	44.5	18%	0.175	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-44.1	173.8	-168.2	0	0	0	0	111.4	K28 S42 F43 L44 A49 T50	K28-S46 PolarHBondContact NZ-OG 3.24Å; S42-S46 WeakPolarHBondContact O-CB 3.48Å; S42-S46 PolarHBondContact O-N 3.19Å; F43-S46 WeakPolarHBondContact O-CB 3.18Å; F43-S46 PolarHBondContact O-N 3.48Å; L44-S46 VanDerWaalsContact C-N 3.33Å; S46-A49 PolarHBondContact O-N 3.29Å; S46-T50 PolarHBondContact O-N 2.82Å; S46-T50 PolarHBondContact O-OG1 2.78Å; S46-T50 VanDerWaalsContact O-OG1 3.13Å
47	L	93.3	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-41.9	176.3	-73.9	173.7	0	0	0	112.1	Y25 F43 L44 A49 T50 F51 F92 L112 L116	Y25-L47 HydrophobicContact CD1-CD2 4.47Å; Y25-L47 HydrophobicContact CD2-CD2 4.29Å; Y25-L47 HydrophobicContact CG-CD2 3.93Å; F43-L47 HydrophobicContact CD1-CD1 4.03Å; F43-L47 HydrophobicContact CE1-CD1 3.53Å; F43-L47 HydrophobicContact CE1-CG 4.28Å; F43-L47 HydrophobicContact CE2-CD1 4.26Å; F43-L47 HydrophobicContact CE2-CD2 4.35Å; F43-L47 HydrophobicContact CE2-CG 4.13Å; F43-L47 HydrophobicContact CZ-CD1 3.64Å; F43-L47 HydrophobicContact CZ-CD2 4.16Å; F43-L47 HydrophobicContact CZ-CG 3.97Å; F43-L47 PolarHBondContact O-N 3.06Å; L44-L47 HydrophobicContact CD2-CD1 4.21Å; L44-L47 PolarHBondContact O-N 3.37Å; L47-A49 VanDerWaalsContact C-N 3.3Å; L47-A49 PolarHBondContact O-N 2.89Å; L47-T50 PolarHBondContact O-N 2.69Å; L47-F51 HydrophobicContact CD2-CE2 4.08Å; L47-F51 WeakPolarHBondContact O-CB 3.5Å; L47-F51 WeakPolarHBondContact O-CD2 3.4Å; L47-F51 PolarHBondContact O-N 3.08Å; L47-F92 HydrophobicContact CB-CD1 4.49Å; L47-F92 HydrophobicContact CB-CD2 3.99Å; L47-F92 HydrophobicContact CB-CE1 4.39Å; L47-F92 HydrophobicContact CB-CE2 3.87Å; L47-F92 HydrophobicContact CB-CG 4.3Å; L47-F92 HydrophobicContact CB-CZ 4.07Å; L47-F92 HydrophobicContact CD1-CD1 4.36Å; L47-F92 HydrophobicContact CD1-CE1 4.08Å; L47-F92 HydrophobicContact CD1-CZ 4.35Å; L47-L112 HydrophobicContact CD1-CD1 4.08Å; L47-L112 HydrophobicContact CD1-CD2 4.08Å; L47-L112 HydrophobicContact CD1-CG 4.43Å; L47-L116 HydrophobicContact CD1-CD1 3.83Å; L47-L116 HydrophobicContact CD1-CD2 4.4Å; L47-L116 HydrophobicContact CD2-CD1 4.14Å; L47-L116 HydrophobicContact CD2-CD2 3.86Å
48	C	93.2	Very high	92.5	Very high	13 Å²	13	39 Å²	39	9%	0.088	21%	0.205	C	C	.	.	H	α-helix	trans	-58.3	-42	174.1	-73.6	0	0	0	0	112.1	L44 Q45 K52 F92	L44-C48 PolarHBondContact O-N 3.45Å; L44-C48 PolarHBondContact O-SG 3.1Å; Q45-C48 PolarHBondContact O-N 3.41Å; C48-K52 WeakPolarHBondContact O-CB 3.4Å; C48-K52 WeakPolarHBondContact O-CD 3.41Å; C48-K52 WeakPolarHBondContact O-CG 3.42Å; C48-K52 PolarHBondContact O-N 3.09Å; C48-K52 VanDerWaalsContact O-N 3.13Å; C48-F92 WeakPolarHBondContact SG-CB 3.42Å
49	A	91	Very high	92.4	Very high	60 Å²	60	38.3 Å²	38.3	50%	0.496	20%	0.198	S	C	.	.	H	α-helix	trans	-65.7	-46.9	176.9	0	0	0	0	0	111.3	Q45 S46 L47 K52 E53	Q45-A49 PolarHBondContact O-N 2.83Å; S46-A49 PolarHBondContact O-N 3.29Å; L47-A49 VanDerWaalsContact C-N 3.3Å; L47-A49 PolarHBondContact O-N 2.89Å; A49-K52 PolarHBondContact O-N 2.88Å; A49-E53 PolarHBondContact O-N 3.11Å; A49-E53 VanDerWaalsContact O-N 3.13Å
50	T	92.3	Very high	92.3	Very high	10 Å²	10	35.3 Å²	35.3	6%	0.061	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-47.8	178.6	-63.8	0	0	0	0	112.7	L21 Y25 S46 L47 K52 E53 F54	L21-T50 HydrophobicContact CB-CG2 3.8Å; L21-T50 HydrophobicContact CD1-CG2 4.38Å; L21-T50 HydrophobicContact CD2-CG2 4.35Å; L21-T50 HydrophobicContact CG-CG2 4.41Å; Y25-T50 HydrophobicContact CD1-CG2 3.96Å; Y25-T50 HydrophobicContact CE1-CG2 4.5Å; S46-T50 PolarHBondContact O-N 2.82Å; S46-T50 PolarHBondContact O-OG1 2.78Å; S46-T50 VanDerWaalsContact O-OG1 3.13Å; L47-T50 PolarHBondContact O-N 2.69Å; T50-K52 VanDerWaalsContact C-N 3.3Å; T50-K52 PolarHBondContact O-N 3.48Å; T50-E53 WeakPolarHBondContact O-CA 3.46Å; T50-E53 WeakPolarHBondContact O-CB 3.45Å; T50-E53 PolarHBondContact O-N 3.44Å; T50-F54 HydrophobicContact CG2-CD2 4.29Å; T50-F54 HydrophobicContact CG2-CE1 4.05Å; T50-F54 HydrophobicContact CG2-CE2 3.67Å; T50-F54 HydrophobicContact CG2-CZ 3.53Å; T50-F54 PolarHBondContact O-N 2.76Å
51	F	94.1	Very high	92.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-74.4	-21.1	-177.9	-81.7	-113	0	0	0	113	Y25 L47 F54 K55 L85 M88 L89 F92 L116 F119	Y25-F51 HydrophobicContact CD1-CE2 4.48Å; Y25-F51 HydrophobicContact CE1-CE2 4.25Å; L47-F51 HydrophobicContact CD2-CE2 4.08Å; L47-F51 WeakPolarHBondContact O-CB 3.5Å; L47-F51 WeakPolarHBondContact O-CD2 3.4Å; L47-F51 PolarHBondContact O-N 3.08Å; F51-F54 HydrophobicContact CD1-CD2 4.17Å; F51-F54 HydrophobicContact CD2-CD2 4.14Å; F51-F54 HydrophobicContact CD2-CE2 4.18Å; F51-F54 HydrophobicContact CE1-CD2 4.38Å; F51-F54 HydrophobicContact CE2-CD2 4.36Å; F51-F54 HydrophobicContact CE2-CE2 4.07Å; F51-F54 HydrophobicContact CG-CD2 4.04Å; F51-F54 HydrophobicContact CZ-CD2 4.47Å; F51-F54 HydrophobicContact CZ-CE2 4.31Å; F51-K55 WeakPolarHBondContact O-CB 3.46Å; F51-K55 PolarHBondContact O-N 3.29Å; F51-L85 HydrophobicContact CD1-CD2 3.8Å; F51-L85 HydrophobicContact CE1-CD2 4.36Å; F51-M88 HydrophobicContact CD1-CB 3.59Å; F51-M88 HydrophobicContact CD1-CG 4.24Å; F51-M88 HydrophobicContact CE1-CB 3.6Å; F51-M88 HydrophobicContact CE1-CE 3.96Å; F51-M88 HydrophobicContact CE1-CG 3.77Å; F51-M88 HydrophobicContact CZ-CE 4Å; F51-L89 HydrophobicContact CB-CD2 3.76Å; F51-L89 HydrophobicContact CB-CG 4.11Å; F51-F92 HydrophobicContact CB-CE2 3.91Å; F51-F92 AromaticContact CD1-CE2 3.93Å; F51-F92 HydrophobicContact CD1-CE2 3.93Å; F51-F92 HydrophobicContact CD1-CZ 4.18Å; F51-F92 AromaticContact CD2-CE2 3.54Å; F51-F92 HydrophobicContact CD2-CE2 3.54Å; F51-F92 AromaticContact CD2-CZ 3.87Å; F51-F92 HydrophobicContact CD2-CZ 3.87Å; F51-F92 HydrophobicContact CE1-CE2 4.34Å; F51-F92 HydrophobicContact CE1-CZ 4.13Å; F51-F92 AromaticContact CE2-CE2 3.99Å; F51-F92 HydrophobicContact CE2-CE2 3.99Å; F51-F92 AromaticContact CE2-CZ 3.81Å; F51-F92 HydrophobicContact CE2-CZ 3.81Å; F51-F92 AromaticContact CG-CE2 3.51Å; F51-F92 HydrophobicContact CG-CE2 3.51Å; F51-F92 HydrophobicContact CG-CZ 4.06Å; F51-F92 HydrophobicContact CZ-CE2 4.37Å; F51-F92 AromaticContact CZ-CZ 3.94Å; F51-F92 HydrophobicContact CZ-CZ 3.94Å; F51-L116 HydrophobicContact CE2-CD2 3.75Å; F51-L116 HydrophobicContact CZ-CD2 3.6Å; F51-F119 HydrophobicContact CD1-CE1 4.44Å; F51-F119 HydrophobicContact CD1-CE2 4.45Å; F51-F119 HydrophobicContact CD1-CZ 4.28Å; F51-F119 AromaticContact CE1-CD1 3.55Å; F51-F119 HydrophobicContact CE1-CD1 3.55Å; F51-F119 AromaticContact CE1-CD2 3.84Å; F51-F119 HydrophobicContact CE1-CD2 3.84Å; F51-F119 AromaticContact CE1-CE1 3.54Å; F51-F119 HydrophobicContact CE1-CE1 3.54Å; F51-F119 AromaticContact CE1-CE2 3.83Å; F51-F119 HydrophobicContact CE1-CE2 3.83Å; F51-F119 AromaticContact CE1-CG 3.72Å; F51-F119 HydrophobicContact CE1-CG 3.72Å; F51-F119 AromaticContact CE1-CZ 3.68Å; F51-F119 HydrophobicContact CE1-CZ 3.68Å; F51-F119 AromaticContact CZ-CD1 3.47Å; F51-F119 HydrophobicContact CZ-CD1 3.47Å; F51-F119 VanDerWaalsContact CZ-CD1 3.47Å; F51-F119 AromaticContact CZ-CE1 3.62Å; F51-F119 HydrophobicContact CZ-CE1 3.62Å; F51-F119 AromaticContact CZ-CG 3.98Å; F51-F119 HydrophobicContact CZ-CG 3.98Å; F51-F119 HydrophobicContact CZ-CZ 4.25Å
52	K	90.9	Very high	92	Very high	123 Å²	123	34.6 Å²	34.6	54%	0.535	18%	0.184	S	C	.	.	H	α-helix	trans	-67.8	-38.2	165.6	-77.7	172.8	-177.1	-176.4	0	111.5	C48 A49 T50 K55 M56 L89	C48-K52 WeakPolarHBondContact O-CB 3.4Å; C48-K52 WeakPolarHBondContact O-CD 3.41Å; C48-K52 WeakPolarHBondContact O-CG 3.42Å; C48-K52 PolarHBondContact O-N 3.09Å; C48-K52 VanDerWaalsContact O-N 3.13Å; A49-K52 PolarHBondContact O-N 2.88Å; T50-K52 VanDerWaalsContact C-N 3.3Å; T50-K52 PolarHBondContact O-N 3.48Å; K52-K55 PolarHBondContact O-N 2.81Å; K52-M56 WeakPolarHBondContact O-CB 3.39Å; K52-M56 PolarHBondContact O-N 2.98Å; K52-L89 HydrophobicContact CG-CD1 4.44Å; K52-L89 HydrophobicContact CG-CD2 4.02Å
53	E	92.5	Very high	91.7	Very high	35 Å²	35	37.5 Å²	37.5	16%	0.164	19%	0.19	C	C	.	.	H	α-helix	trans	-67.2	-41.2	174.9	-161.9	172.8	160.9	0	0	111.2	R17 L21 A49 T50 K55 M56 H57 Q162	R17-E53 WeakPolarHBondContact CG-OE1 3.33Å; R17-E53 IonicContact CZ-OE1 3.23Å; R17-E53 IonicContact CZ-OE2 3.95Å; R17-E53 IonicContact NE-OE1 2.82Å; R17-E53 PolarHBondContact NE-OE1 3.5Å; R17-E53 IonicContact NE-OE2 3.37Å; R17-E53 IonicContact NH2-OE1 2.62Å; R17-E53 PolarHBondContact NH2-OE1 3.17Å; R17-E53 IonicContact NH2-OE2 2.91Å; R17-E53 PolarHBondContact NH2-OE2 3.31Å; L21-E53 HydrophobicContact CD1-CB 4.09Å; L21-E53 VanDerWaalsContact CD1-CD 3.48Å; L21-E53 HydrophobicContact CD1-CG 3.99Å; L21-E53 WeakPolarHBondContact CD1-OE2 3.26Å; A49-E53 PolarHBondContact O-N 3.11Å; A49-E53 VanDerWaalsContact O-N 3.13Å; T50-E53 WeakPolarHBondContact O-CA 3.46Å; T50-E53 WeakPolarHBondContact O-CB 3.45Å; T50-E53 PolarHBondContact O-N 3.44Å; E53-K55 VanDerWaalsContact C-N 3.35Å; E53-K55 PolarHBondContact O-N 3.46Å; E53-M56 HydrophobicContact CG-CE 4.31Å; E53-M56 PolarHBondContact O-N 2.95Å; E53-H57 PolarHBondContact O-N 3.14Å; E53-Q162 PolarHBondContact OE1-NE2 2.75Å
54	F	93.1	Very high	91.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.6	-43.5	170.8	-63.6	-20.8	0	0	0	112.3	M18 L21 V22 Y25 T50 F51 M56 H57 E58 L85 F119 F123	M18-F54 HydrophobicContact CB-CD1 4.45Å; M18-F54 HydrophobicContact CB-CE1 4.11Å; M18-F54 HydrophobicContact CG-CD1 4.39Å; M18-F54 HydrophobicContact SD-CD1 3.5Å; M18-F54 VanDerWaalsContact SD-CD1 3.5Å; M18-F54 HydrophobicContact SD-CE1 3.88Å; L21-F54 HydrophobicContact CB-CE1 3.75Å; L21-F54 HydrophobicContact CB-CZ 3.92Å; L21-F54 HydrophobicContact CD1-CD1 4.33Å; L21-F54 HydrophobicContact CD1-CE1 3.87Å; L21-F54 HydrophobicContact CG-CE1 4.49Å; V22-F54 HydrophobicContact CG2-CZ 3.85Å; Y25-F54 AromaticContact CE1-CE2 3.93Å; Y25-F54 HydrophobicContact CE1-CE2 3.93Å; Y25-F54 HydrophobicContact CE1-CZ 4.01Å; T50-F54 HydrophobicContact CG2-CD2 4.29Å; T50-F54 HydrophobicContact CG2-CE1 4.05Å; T50-F54 HydrophobicContact CG2-CE2 3.67Å; T50-F54 HydrophobicContact CG2-CZ 3.53Å; T50-F54 PolarHBondContact O-N 2.76Å; F51-F54 HydrophobicContact CD1-CD2 4.17Å; F51-F54 HydrophobicContact CD2-CD2 4.14Å; F51-F54 HydrophobicContact CD2-CE2 4.18Å; F51-F54 HydrophobicContact CE1-CD2 4.38Å; F51-F54 HydrophobicContact CE2-CD2 4.36Å; F51-F54 HydrophobicContact CE2-CE2 4.07Å; F51-F54 HydrophobicContact CG-CD2 4.04Å; F51-F54 HydrophobicContact CZ-CD2 4.47Å; F51-F54 HydrophobicContact CZ-CE2 4.31Å; F54-M56 VanDerWaalsContact C-N 3.32Å; F54-M56 PolarHBondContact O-N 2.99Å; F54-H57 WeakPolarHBondContact O-CB 3.32Å; F54-H57 PolarHBondContact O-N 3.42Å; F54-E58 WeakPolarHBondContact O-CG 3.32Å; F54-E58 PolarHBondContact O-N 2.96Å; F54-E58 VanDerWaalsContact O-N 3.1Å; F54-L85 HydrophobicContact CB-CD1 4.28Å; F54-L85 HydrophobicContact CB-CD2 3.64Å; F54-L85 HydrophobicContact CD2-CD2 4.22Å; F54-L85 HydrophobicContact CG-CD2 4.44Å; F54-F119 AromaticContact CD2-CE1 3.81Å; F54-F119 HydrophobicContact CD2-CE1 3.81Å; F54-F119 AromaticContact CD2-CZ 3.79Å; F54-F119 HydrophobicContact CD2-CZ 3.79Å; F54-F119 AromaticContact CE2-CE1 3.73Å; F54-F119 HydrophobicContact CE2-CE1 3.73Å; F54-F119 HydrophobicContact CE2-CZ 4.2Å; F54-F123 HydrophobicContact CB-CZ 4.13Å; F54-F123 AromaticContact CD1-CE1 3.8Å; F54-F123 HydrophobicContact CD1-CE1 3.8Å; F54-F123 AromaticContact CD1-CZ 3.76Å; F54-F123 HydrophobicContact CD1-CZ 3.76Å; F54-F123 HydrophobicContact CD2-CE1 4.08Å; F54-F123 HydrophobicContact CD2-CZ 4.23Å; F54-F123 AromaticContact CE1-CE1 3.72Å; F54-F123 HydrophobicContact CE1-CE1 3.72Å; F54-F123 HydrophobicContact CE1-CZ 4.16Å; F54-F123 HydrophobicContact CE2-CD1 4.44Å; F54-F123 HydrophobicContact CE2-CE1 4.02Å; F54-F123 AromaticContact CG-CE1 3.99Å; F54-F123 HydrophobicContact CG-CE1 3.99Å; F54-F123 AromaticContact CG-CZ 3.8Å; F54-F123 HydrophobicContact CG-CZ 3.8Å; F54-F123 HydrophobicContact CZ-CD1 4.48Å; F54-F123 AromaticContact CZ-CE1 3.83Å; F54-F123 HydrophobicContact CZ-CE1 3.83Å
55	K	90.4	Very high	91.4	Very high	57 Å²	57	39.8 Å²	39.8	25%	0.248	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-38.5	177.3	-172.7	168.5	-176.1	167.4	0	112.7	F51 K52 E53 Q59 D82 L85 S86 L89	F51-K55 WeakPolarHBondContact O-CB 3.46Å; F51-K55 PolarHBondContact O-N 3.29Å; K52-K55 PolarHBondContact O-N 2.81Å; E53-K55 VanDerWaalsContact C-N 3.35Å; E53-K55 PolarHBondContact O-N 3.46Å; K55-Q59 WeakPolarHBondContact O-CG 3.42Å; K55-Q59 PolarHBondContact O-N 3.35Å; K55-Q59 VanDerWaalsContact O-N 3.14Å; K55-D82 IonicContact NZ-OD1 3.21Å; K55-L85 HydrophobicContact CB-CB 4.49Å; K55-L85 HydrophobicContact CB-CD1 4.24Å; K55-S86 PolarHBondContact NZ-OG 2.81Å; K55-L89 HydrophobicContact CD-CD1 4.03Å
56	M	89.7	Confident	91.2	Very high	29 Å²	29	34 Å²	34	14%	0.143	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-41.4	174	-177.5	-163.8	72.9	0	0	111.3	K52 E53 F54 Q59 I60	K52-M56 WeakPolarHBondContact O-CB 3.39Å; K52-M56 PolarHBondContact O-N 2.98Å; E53-M56 HydrophobicContact CG-CE 4.31Å; E53-M56 PolarHBondContact O-N 2.95Å; F54-M56 VanDerWaalsContact C-N 3.32Å; F54-M56 PolarHBondContact O-N 2.99Å; M56-Q59 WeakPolarHBondContact O-CB 3.01Å; M56-Q59 PolarHBondContact O-N 3.34Å; M56-I60 HydrophobicContact CE-CD1 4.01Å; M56-I60 HydrophobicContact CG-CD1 3.91Å; M56-I60 HydrophobicContact CG-CG1 4.45Å; M56-I60 VanDerWaalsContact O-CG1 3.3Å; M56-I60 WeakPolarHBondContact O-CG1 3.35Å; M56-I60 PolarHBondContact O-N 2.76Å; M56-I60 HydrophobicContact SD-CD1 4.34Å
57	H	92.3	Very high	90.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.1	-53.9	177.2	172.2	50	0	0	0	112	H15 M18 E53 F54 Q59 I60 E61 H158	H15-H57 AromaticContact CD2-CE1 3.44Å; H15-H57 PolarHBondContact CD2-CE1 2.81Å; H15-H57 VanDerWaalsContact CD2-CE1 3.44Å; H15-H57 AromaticContact CD2-NE2 3.32Å; H15-H57 PolarHBondContact CD2-NE2 3.02Å; H15-H57 VanDerWaalsContact CD2-NE2 3.32Å; H15-H57 AromaticContact NE2-CE1 3.73Å; H15-H57 AromaticContact NE2-NE2 3.66Å; M18-H57 HydrophobicContact CE-CB 3.94Å; M18-H57 VanDerWaalsContact CG-CD2 3.43Å; M18-H57 WeakPolarHBondContact CG-CD2 3.03Å; M18-H57 HydrophobicContact SD-CB 3.91Å; E53-H57 PolarHBondContact O-N 3.14Å; F54-H57 WeakPolarHBondContact O-CB 3.32Å; F54-H57 PolarHBondContact O-N 3.42Å; H57-Q59 PolarHBondContact O-N 3.32Å; H57-I60 WeakPolarHBondContact O-CB 3.45Å; H57-I60 PolarHBondContact O-N 3.18Å; H57-E61 IonicContact CD2-OE2 3.51Å; H57-E61 IonicContact CE1-OE1 3.46Å; H57-E61 PolarHBondContact CE1-OE1 2.82Å; H57-E61 IonicContact CE1-OE2 3Å; H57-E61 PolarHBondContact CE1-OE2 2.98Å; H57-E61 IonicContact ND1-OE1 3.86Å; H57-E61 IonicContact ND1-OE2 3.48Å; H57-E61 IonicContact NE2-OE1 3.58Å; H57-E61 IonicContact NE2-OE2 3.82Å; H57-E61 WeakPolarHBondContact O-CG 3.43Å; H57-E61 PolarHBondContact O-N 3.08Å; H57-H158 AromaticContact CG-CE1 3.74Å; H57-H158 AromaticContact ND1-CE1 3.19Å; H57-H158 PolarHBondContact ND1-CE1 3.26Å; H57-H158 AromaticContact ND1-NE2 3.32Å; H57-H158 PolarHBondContact ND1-NE2 3.33Å
58	E	90.2	Very high	90.7	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.028	19%	0.187	C	C	.	.	H	α-helix	trans	-59.3	-35.3	176.9	-63.7	-77.9	170.4	0	0	111.8	F54 N62 H80 N83 L85 H126	F54-E58 WeakPolarHBondContact O-CG 3.32Å; F54-E58 PolarHBondContact O-N 2.96Å; F54-E58 VanDerWaalsContact O-N 3.1Å; E58-N62 VanDerWaalsContact O-CB 3.27Å; E58-N62 WeakPolarHBondContact O-CB 3.33Å; E58-N62 VanDerWaalsContact O-CG 3.27Å; E58-N62 PolarHBondContact O-N 3.02Å; E58-N62 PolarHBondContact O-ND2 3.1Å; E58-H80 IonicContact OE2-CG 3.51Å; E58-H80 IonicContact OE2-ND1 3.43Å; E58-H80 PolarHBondContact OE2-ND1 3.24Å; E58-N83 PolarHBondContact OE1-ND2 3.49Å; E58-N83 PolarHBondContact OE2-ND2 3.46Å; E58-L85 HydrophobicContact CG-CD1 3.75Å; E58-H126 IonicContact OE1-CD2 2.76Å; E58-H126 IonicContact OE1-NE2 3.31Å; E58-H126 PolarHBondContact OE1-NE2 2.83Å; E58-H126 IonicContact OE2-NE2 2.76Å
59	Q	88.9	Confident	90.5	Very high	109 Å²	109	35.7 Å²	35.7	51%	0.509	18%	0.182	S	C	.	.	H	α-helix	trans	-65.5	-42.9	175.9	-76.4	172.4	-13.1	0	0	112.2	K55 M56 H57 N62 E63	K55-Q59 WeakPolarHBondContact O-CG 3.42Å; K55-Q59 PolarHBondContact O-N 3.35Å; K55-Q59 VanDerWaalsContact O-N 3.14Å; M56-Q59 WeakPolarHBondContact O-CB 3.01Å; M56-Q59 PolarHBondContact O-N 3.34Å; H57-Q59 PolarHBondContact O-N 3.32Å; Q59-N62 PolarHBondContact O-N 3.24Å; Q59-E63 WeakPolarHBondContact O-CB 3.3Å; Q59-E63 PolarHBondContact O-N 3.46Å
60	I	90.3	Very high	90.3	Very high	9 Å²	9	36.2 Å²	36.2	5%	0.046	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-45.1	177.3	-68.1	164.4	0	0	0	109.8	M56 H57 E63 Y64 V154 Q157	M56-I60 HydrophobicContact CE-CD1 4.01Å; M56-I60 HydrophobicContact CG-CD1 3.91Å; M56-I60 HydrophobicContact CG-CG1 4.45Å; M56-I60 VanDerWaalsContact O-CG1 3.3Å; M56-I60 WeakPolarHBondContact O-CG1 3.35Å; M56-I60 PolarHBondContact O-N 2.76Å; M56-I60 HydrophobicContact SD-CD1 4.34Å; H57-I60 WeakPolarHBondContact O-CB 3.45Å; H57-I60 PolarHBondContact O-N 3.18Å; I60-E63 PolarHBondContact O-N 2.96Å; I60-Y64 HydrophobicContact CG2-CD2 4.14Å; I60-Y64 WeakPolarHBondContact O-CB 3.43Å; I60-Y64 WeakPolarHBondContact O-CD2 3.16Å; I60-Y64 PolarHBondContact O-N 2.91Å; I60-V154 HydrophobicContact CG2-CG1 4.2Å; I60-V154 HydrophobicContact CG2-CG2 4.49Å; I60-Q157 HydrophobicContact CD1-CB 3.64Å; I60-Q157 HydrophobicContact CG1-CB 3.8Å; I60-Q157 HydrophobicContact CG2-CB 4.04Å
61	E	91.6	Very high	89.9	Confident	1 Å²	1	43 Å²	43	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-44.2	179.4	-65.9	179	134.3	0	0	111.5	F11 H15 H57 E63 I65 I66	F11-E61 WeakPolarHBondContact CD1-OE1 3.46Å; H15-E61 IonicContact NE2-OE1 3.89Å; H15-E61 PolarHBondContact NE2-OE1 3.02Å; H57-E61 IonicContact CD2-OE2 3.51Å; H57-E61 IonicContact CE1-OE1 3.46Å; H57-E61 PolarHBondContact CE1-OE1 2.82Å; H57-E61 IonicContact CE1-OE2 3Å; H57-E61 PolarHBondContact CE1-OE2 2.98Å; H57-E61 IonicContact ND1-OE1 3.86Å; H57-E61 IonicContact ND1-OE2 3.48Å; H57-E61 IonicContact NE2-OE1 3.58Å; H57-E61 IonicContact NE2-OE2 3.82Å; H57-E61 WeakPolarHBondContact O-CG 3.43Å; H57-E61 PolarHBondContact O-N 3.08Å; E61-E63 PolarHBondContact O-N 3.4Å; E61-I65 HydrophobicContact CB-CD1 4.46Å; E61-I65 HydrophobicContact CG-CD1 4.14Å; E61-I65 CarbonylContact O-C 3.2Å; E61-I65 WeakPolarHBondContact O-CA 3.13Å; E61-I65 WeakPolarHBondContact O-CB 3.26Å; E61-I65 PolarHBondContact O-N 3.13Å; E61-I66 WeakPolarHBondContact O-CG1 3.28Å; E61-I66 PolarHBondContact O-N 3.29Å
62	N	87.8	Confident	89.5	Confident	55 Å²	55	48.2 Å²	48.2	29%	0.294	23%	0.225	S	C	.	.	I	π-helix	trans	-59.1	-45.4	176.2	-82.7	-52.2	0	0	0	113	E58 Q59 G67 H80	E58-N62 VanDerWaalsContact O-CB 3.27Å; E58-N62 WeakPolarHBondContact O-CB 3.33Å; E58-N62 VanDerWaalsContact O-CG 3.27Å; E58-N62 PolarHBondContact O-N 3.02Å; E58-N62 PolarHBondContact O-ND2 3.1Å; Q59-N62 PolarHBondContact O-N 3.24Å; N62-G67 WeakPolarHBondContact O-CA 3.42Å; N62-G67 PolarHBondContact O-N 2.73Å; N62-H80 WeakPolarHBondContact ND2-CB 3.42Å; N62-H80 VanDerWaalsContact OD1-CB 3.27Å; N62-H80 WeakPolarHBondContact OD1-CB 3.3Å; N62-H80 PolarHBondContact OD1-CD2 3.44Å
63	E	89.4	Confident	88.8	Confident	131 Å²	131	42.9 Å²	42.9	61%	0.612	20%	0.203	S	C	*	.	I	π-helix	trans	-79	-43.7	-175.1	-173.1	175.5	-174.3	0	0	112.7	Q59 I60 E61	Q59-E63 WeakPolarHBondContact O-CB 3.3Å; Q59-E63 PolarHBondContact O-N 3.46Å; I60-E63 PolarHBondContact O-N 2.96Å; E61-E63 PolarHBondContact O-N 3.4Å
64	Y	90.9	Very high	87.4	Confident	50 Å²	50	45.6 Å²	45.6	20%	0.196	23%	0.225	C	C	.	.	I	π-helix	trans	-103.3	-13.5	-168.3	-65.1	-90.3	0	0	0	114.5	I60 L68 Q153 Q157	I60-Y64 HydrophobicContact CG2-CD2 4.14Å; I60-Y64 WeakPolarHBondContact O-CB 3.43Å; I60-Y64 WeakPolarHBondContact O-CD2 3.16Å; I60-Y64 PolarHBondContact O-N 2.91Å; Y64-L68 VanDerWaalsContact O-CD1 3.29Å; Y64-L68 WeakPolarHBondContact O-CD1 3.42Å; Y64-Q153 HydrophobicContact CD1-CB 4.14Å; Y64-Q157 HydrophobicContact CD2-CG 4.29Å; Y64-Q157 HydrophobicContact CE1-CG 4.42Å; Y64-Q157 HydrophobicContact CE2-CG 3.86Å
65	I	92.1	Very high	86	Confident	1 Å²	1	50 Å²	50	1%	0.005	25%	0.252	C	S	.	.	I	π-helix	trans	-120.4	-64.9	-179.4	-57.3	173	0	0	0	110.1	V10 F11 E61 L68 L69 L138 I150 V154	V10-I65 HydrophobicContact CB-CD1 4.02Å; V10-I65 HydrophobicContact CG2-CD1 3.75Å; V10-I65 HydrophobicContact CG2-CG1 4.36Å; V10-I65 HydrophobicContact CG2-CG2 4.35Å; F11-I65 HydrophobicContact CD1-CD1 4.37Å; F11-I65 HydrophobicContact CE1-CD1 3.86Å; F11-I65 HydrophobicContact CE1-CG2 4.4Å; F11-I65 HydrophobicContact CZ-CD1 4.22Å; F11-I65 HydrophobicContact CZ-CG2 3.83Å; E61-I65 HydrophobicContact CB-CD1 4.46Å; E61-I65 HydrophobicContact CG-CD1 4.14Å; E61-I65 CarbonylContact O-C 3.2Å; E61-I65 WeakPolarHBondContact O-CA 3.13Å; E61-I65 WeakPolarHBondContact O-CB 3.26Å; E61-I65 PolarHBondContact O-N 3.13Å; I65-L68 PolarHBondContact O-N 2.62Å; I65-L69 PolarHBondContact O-N 2.93Å; I65-L138 HydrophobicContact CG2-CD1 3.64Å; I65-L138 HydrophobicContact CG2-CD2 4.01Å; I65-L138 HydrophobicContact CG2-CG 4.35Å; I65-I150 HydrophobicContact CG1-CG2 4.24Å; I65-V154 HydrophobicContact CD1-CG1 4.36Å; I65-V154 HydrophobicContact CD1-CG2 3.78Å; I65-V154 HydrophobicContact CG1-CG2 3.62Å
66	I	88	Confident	84.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.247	C	C	.	.	I	π-helix	trans	-72.5	-40.9	-168	-54.3	-66.4	0	0	0	111	E61 L68 L69 Q70 V79 H80 F134	E61-I66 WeakPolarHBondContact O-CG1 3.28Å; E61-I66 PolarHBondContact O-N 3.29Å; I66-L68 VanDerWaalsContact C-N 3.27Å; I66-L68 PolarHBondContact O-N 3.32Å; I66-L69 PolarHBondContact O-N 3Å; I66-Q70 HydrophobicContact CG2-CG 4.26Å; I66-Q70 WeakPolarHBondContact O-CB 3.37Å; I66-Q70 WeakPolarHBondContact O-CG 3.5Å; I66-Q70 PolarHBondContact O-N 3.31Å; I66-V79 HydrophobicContact CG2-CB 4.17Å; I66-H80 WeakPolarHBondContact CG1-NE2 3.45Å; I66-F134 HydrophobicContact CD1-CD2 3.91Å; I66-F134 HydrophobicContact CD1-CE2 4.29Å; I66-F134 HydrophobicContact CD1-CG 4.19Å
67	G	86.3	Confident	82.8	Confident	21 Å²	21	56.1 Å²	56.1	22%	0.216	28%	0.276	C	S	.	.	H	α-helix	trans	-58.5	-39.1	174.5	0	0	0	0	0	112.7	N62 Q71	N62-G67 WeakPolarHBondContact O-CA 3.42Å; N62-G67 PolarHBondContact O-N 2.73Å; G67-Q71 WeakPolarHBondContact O-CG 3.3Å; G67-Q71 PolarHBondContact O-N 2.87Å
68	L	89.9	Confident	81.1	Confident	52 Å²	52	63.9 Å²	63.9	27%	0.272	32%	0.318	S	S	.	.	H	α-helix	trans	-70.4	-42.2	175	-61.9	-178.9	0	0	0	111.6	Y64 I65 I66 Q71 R72 F142 I150	Y64-L68 VanDerWaalsContact O-CD1 3.29Å; Y64-L68 WeakPolarHBondContact O-CD1 3.42Å; I65-L68 PolarHBondContact O-N 2.62Å; I66-L68 VanDerWaalsContact C-N 3.27Å; I66-L68 PolarHBondContact O-N 3.32Å; L68-Q71 PolarHBondContact O-N 3Å; L68-R72 PolarHBondContact O-N 3.49Å; L68-F142 HydrophobicContact CB-CE1 4.21Å; L68-F142 HydrophobicContact CB-CZ 3.8Å; L68-I150 HydrophobicContact CD1-CD1 4.09Å; L68-I150 HydrophobicContact CD1-CG1 4.05Å
69	L	89.3	Confident	79.3	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-41.8	178.9	-179	60.4	0	0	0	111.8	I65 I66 Q71 R72 C73 F134 M137 L138 Y141 F142	I65-L69 PolarHBondContact O-N 2.93Å; I66-L69 PolarHBondContact O-N 3Å; L69-Q71 VanDerWaalsContact C-N 3.32Å; L69-Q71 PolarHBondContact O-N 3.2Å; L69-R72 PolarHBondContact O-N 2.76Å; L69-R72 VanDerWaalsContact O-N 3.09Å; L69-C73 PolarHBondContact O-N 3.32Å; L69-C73 PolarHBondContact O-SG 3.18Å; L69-F134 HydrophobicContact CD2-CD1 4.22Å; L69-M137 HydrophobicContact CD1-CB 4.42Å; L69-M137 HydrophobicContact CD2-CB 4.24Å; L69-L138 HydrophobicContact CB-CD2 4.18Å; L69-L138 HydrophobicContact CD1-CD2 4.26Å; L69-L138 HydrophobicContact CD2-CD2 4.31Å; L69-L138 HydrophobicContact CD2-CG 4.46Å; L69-L138 HydrophobicContact CG-CD2 4.49Å; L69-Y141 HydrophobicContact CD1-CD2 3.93Å; L69-Y141 HydrophobicContact CD1-CG 4.32Å; L69-F142 HydrophobicContact CB-CE2 4.3Å; L69-F142 HydrophobicContact CD1-CE2 4.02Å
70	Q	86.4	Confident	77.8	Confident	71 Å²	71	61.2 Å²	61.2	33%	0.332	31%	0.307	S	S	.	.	H	α-helix	trans	-60.6	-39.1	176.5	-76.7	176.3	-1.9	0	0	112.3	I66 R72 C74 V76	I66-Q70 HydrophobicContact CG2-CG 4.26Å; I66-Q70 WeakPolarHBondContact O-CB 3.37Å; I66-Q70 WeakPolarHBondContact O-CG 3.5Å; I66-Q70 PolarHBondContact O-N 3.31Å; Q70-R72 PolarHBondContact O-N 3.46Å; Q70-C74 PolarHBondContact O-N 3.38Å; Q70-V76 HydrophobicContact CG-CB 4.03Å; Q70-V76 HydrophobicContact CG-CG1 3.76Å
71	Q	84.5	Confident	76.3	Confident	152 Å²	152	65.2 Å²	65.2	71%	0.71	34%	0.336	S	S	*	.	H	α-helix	trans	-61.8	-26.8	175.9	-73.6	175.3	5.9	0	0	113.1	G67 L68 L69	G67-Q71 WeakPolarHBondContact O-CG 3.3Å; G67-Q71 PolarHBondContact O-N 2.87Å; L68-Q71 PolarHBondContact O-N 3Å; L69-Q71 VanDerWaalsContact C-N 3.32Å; L69-Q71 PolarHBondContact O-N 3.2Å
72	R	85.3	Confident	75.1	Confident	111 Å²	111	68.2 Å²	68.2	42%	0.419	35%	0.352	S	S	.	.	H	α-helix	trans	-98	-35.5	-177.3	-68.8	-161	174.7	-179.6	2.9	114.5	L68 L69 Q70 Y141 F142 E146	L68-R72 PolarHBondContact O-N 3.49Å; L69-R72 PolarHBondContact O-N 2.76Å; L69-R72 VanDerWaalsContact O-N 3.09Å; Q70-R72 PolarHBondContact O-N 3.46Å; R72-Y141 HydrophobicContact CB-CD1 4.47Å; R72-Y141 VanDerWaalsContact CD-O 3.28Å; R72-Y141 WeakPolarHBondContact CD-O 3.43Å; R72-Y141 PolarHBondContact NH1-O 3.19Å; R72-F142 HydrophobicContact CG-CZ 4.4Å; R72-E146 IonicContact CZ-OE1 2.72Å; R72-E146 IonicContact CZ-OE2 3.37Å; R72-E146 IonicContact NH1-OE1 2.95Å; R72-E146 PolarHBondContact NH1-OE1 2.89Å; R72-E146 IonicContact NH1-OE2 2.77Å; R72-E146 PolarHBondContact NH1-OE2 3.28Å; R72-E146 IonicContact NH2-OE1 3.53Å; R72-E146 PolarHBondContact NH2-OE1 3.02Å; R72-E146 IonicContact NH2-OE2 3.93Å
73	C	77.1	Confident	74.2	Confident	10 Å²	10	67.4 Å²	67.4	7%	0.068	35%	0.347	C	S	.	.	H	α-helix	trans	-95.5	-20.3	-170.7	70.5	0	0	0	0	115	L69 T75 V76 Y141	L69-C73 PolarHBondContact O-N 3.32Å; L69-C73 PolarHBondContact O-SG 3.18Å; C73-T75 WeakPolarHBondContact O-CG2 3.26Å; C73-T75 PolarHBondContact O-N 3.26Å; C73-T75 PolarHBondContact O-OG1 3.26Å; C73-V76 WeakPolarHBondContact SG-CG2 3.23Å; C73-Y141 HydrophobicContact CB-CD1 4.28Å; C73-Y141 HydrophobicContact CB-CD2 4.12Å; C73-Y141 HydrophobicContact CB-CE1 3.94Å; C73-Y141 HydrophobicContact CB-CE2 3.82Å; C73-Y141 HydrophobicContact CB-CG 4.38Å
74	C	62.5	Low	73.8	Confident	92 Å²	92	66.9 Å²	66.9	62%	0.622	34%	0.343	S	S	*	.	S	Bend	trans	50.3	7.3	-178.5	-64.7	0	0	0	0	116.7	Q70 Y77	Q70-C74 PolarHBondContact O-N 3.38Å; C74-Y77 WeakPolarHBondContact O-CE2 2.99Å; C74-Y77 PolarHBondContact O-OH 3.43Å
75	T	62.5	Low	73.7	Confident	94 Å²	94	64.6 Å²	64.6	58%	0.577	33%	0.334	S	S	*	.			trans	-114.6	-14.1	-175.2	48.2	0	0	0	0	112.8	C73 Y77	C73-T75 WeakPolarHBondContact O-CG2 3.26Å; C73-T75 PolarHBondContact O-N 3.26Å; C73-T75 PolarHBondContact O-OG1 3.26Å; T75-Y77 PolarHBondContact O-N 3.21Å
76	V	60	Low	73.4	Confident	21 Å²	21	66.7 Å²	66.7	13%	0.127	35%	0.349	C	S	.	.			trans	-87.7	94.7	179.6	175.3	0	0	0	0	108.6	Q70 C73 V79 M137	Q70-V76 HydrophobicContact CG-CB 4.03Å; Q70-V76 HydrophobicContact CG-CG1 3.76Å; C73-V76 WeakPolarHBondContact SG-CG2 3.23Å; V76-V79 HydrophobicContact CG1-CB 4.16Å; V76-V79 HydrophobicContact CG1-CG2 3.19Å; V76-M137 HydrophobicContact CG2-CE 3.64Å
77	Y	52.8	Low	73.5	Confident	192 Å²	192	71 Å²	71	75%	0.753	37%	0.369	S	S	*	.			trans	-101.5	122.6	174.5	-69.1	-85.7	0	0	0	110.4	C74 T75	C74-Y77 WeakPolarHBondContact O-CE2 2.99Å; C74-Y77 PolarHBondContact O-OH 3.43Å; T75-Y77 PolarHBondContact O-N 3.21Å
78	N	58.3	Low	73.8	Confident	164 Å²	164	70.4 Å²	70.4	88%	0.877	36%	0.361	S	S	*	.	S	Bend	trans	66.9	63.8	168.1	-147.1	31.3	0	0	0	114.4
79	V	52.5	Low	73.9	Confident	32 Å²	32	68.7 Å²	68.7	19%	0.194	35%	0.352	C	S	.	.			trans	-106.2	130.8	175.2	-162.6	0	0	0	0	109.1	I66 V76 F134	I66-V79 HydrophobicContact CG2-CB 4.17Å; V76-V79 HydrophobicContact CG1-CB 4.16Å; V76-V79 HydrophobicContact CG1-CG2 3.19Å; V79-F134 HydrophobicContact CB-CZ 4.43Å; V79-F134 HydrophobicContact CG1-CE1 4.37Å; V79-F134 HydrophobicContact CG1-CE2 3.66Å; V79-F134 HydrophobicContact CG1-CZ 3.38Å; V79-F134 HydrophobicContact CG2-CZ 4.23Å
80	H	56.6	Low	74	Confident	27 Å²	27	71.7 Å²	71.7	13%	0.125	37%	0.373	C	S	.	.			trans	73.9	76.6	-178.7	-47.3	-76.6	0	0	0	115.9	E58 N62 I66 H126 E130 F134	E58-H80 IonicContact OE2-CG 3.51Å; E58-H80 IonicContact OE2-ND1 3.43Å; E58-H80 PolarHBondContact OE2-ND1 3.24Å; N62-H80 WeakPolarHBondContact ND2-CB 3.42Å; N62-H80 VanDerWaalsContact OD1-CB 3.27Å; N62-H80 WeakPolarHBondContact OD1-CB 3.3Å; N62-H80 PolarHBondContact OD1-CD2 3.44Å; I66-H80 WeakPolarHBondContact CG1-NE2 3.45Å; H80-H126 AromaticContact CE1-CE1 3.38Å; H80-H126 PolarHBondContact CE1-CE1 2.7Å; H80-H126 AromaticContact CE1-NE2 3.66Å; H80-H126 AromaticContact ND1-CE1 3.18Å; H80-H126 PolarHBondContact ND1-CE1 3Å; H80-H126 AromaticContact ND1-NE2 3.49Å; H80-H126 PolarHBondContact ND1-NE2 2.87Å; H80-E130 IonicContact CE1-OE1 3.8Å; H80-E130 PolarHBondContact CE1-OE1 3.24Å; H80-E130 IonicContact ND1-OE1 3.8Å; H80-E130 IonicContact NE2-OE1 3.46Å; H80-F134 AromaticContact NE2-CE2 3.93Å
81	S	57.6	Low	74.2	Confident	92 Å²	92	69.5 Å²	69.5	64%	0.643	36%	0.364	S	S	*	.			trans	-58.4	153.6	145	54.1	0	0	0	0	109.7	N83	S81-N83 PolarHBondContact O-N 3.35Å
82	D	67.1	Low	74.7	Confident	65 Å²	65	62.3 Å²	62.3	35%	0.348	33%	0.33	S	S	.	.			trans	-55.7	14.9	179.9	178.1	67	0	0	0	115.7	K55 K84 L85 S86	K55-D82 IonicContact NZ-OD1 3.21Å; D82-K84 PolarHBondContact O-N 2.92Å; D82-L85 WeakPolarHBondContact O-CB 3.49Å; D82-L85 VanDerWaalsContact O-CG 3.3Å; D82-L85 WeakPolarHBondContact O-CG 3.49Å; D82-L85 PolarHBondContact O-N 2.98Å; D82-S86 VanDerWaalsContact CG-OG 3.25Å; D82-S86 PolarHBondContact OD1-OG 2.98Å; D82-S86 WeakPolarHBondContact OD2-CA 3.48Å; D82-S86 WeakPolarHBondContact OD2-CB 3.42Å; D82-S86 PolarHBondContact OD2-N 3.42Å; D82-S86 PolarHBondContact OD2-OG 3.09Å
83	N	69.4	Low	75	Confident	37 Å²	37	61.4 Å²	61.4	20%	0.198	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	31.7	177.3	-79.9	-16.9	0	0	0	114	E58 S81 L85 F119 H126	E58-N83 PolarHBondContact OE1-ND2 3.49Å; E58-N83 PolarHBondContact OE2-ND2 3.46Å; S81-N83 PolarHBondContact O-N 3.35Å; N83-L85 HydrophobicContact CB-CD1 4.33Å; N83-L85 HydrophobicContact CB-CG 4.23Å; N83-L85 PolarHBondContact O-N 3.26Å; N83-F119 WeakPolarHBondContact O-CE2 3.18Å; N83-H126 PolarHBondContact ND2-CD2 3.47Å; N83-H126 PolarHBondContact ND2-CE1 3.03Å; N83-H126 PolarHBondContact ND2-ND1 3.31Å; N83-H126 PolarHBondContact ND2-NE2 2.83Å
84	K	81.3	Confident	75.6	Confident	121 Å²	121	67.4 Å²	67.4	53%	0.526	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	17.8	-172.2	-51.5	169.1	-170.6	151.1	0	113.3	D82 S86 E87 M88 D122	D82-K84 PolarHBondContact O-N 2.92Å; K84-S86 VanDerWaalsContact C-N 3.35Å; K84-S86 PolarHBondContact O-N 3.26Å; K84-E87 HydrophobicContact CB-CB 4.31Å; K84-E87 WeakPolarHBondContact O-CA 3.46Å; K84-E87 WeakPolarHBondContact O-CB 3.42Å; K84-E87 PolarHBondContact O-N 3.07Å; K84-M88 WeakPolarHBondContact O-CG 3.48Å; K84-M88 PolarHBondContact O-N 2.79Å; K84-D122 IonicContact NZ-OD2 3.75Å; K84-D122 PolarHBondContact NZ-OD2 2.99Å; K84-D122 VanDerWaalsContact NZ-OD2 3.15Å
85	L	87.3	Confident	76.9	Confident	1 Å²	1	63 Å²	63	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-61.2	-41.1	-179.7	-69	168.2	0	0	0	111.6	F51 F54 K55 E58 D82 N83 E87 M88 L89 F119	F51-L85 HydrophobicContact CD1-CD2 3.8Å; F51-L85 HydrophobicContact CE1-CD2 4.36Å; F54-L85 HydrophobicContact CB-CD1 4.28Å; F54-L85 HydrophobicContact CB-CD2 3.64Å; F54-L85 HydrophobicContact CD2-CD2 4.22Å; F54-L85 HydrophobicContact CG-CD2 4.44Å; K55-L85 HydrophobicContact CB-CB 4.49Å; K55-L85 HydrophobicContact CB-CD1 4.24Å; E58-L85 HydrophobicContact CG-CD1 3.75Å; D82-L85 WeakPolarHBondContact O-CB 3.49Å; D82-L85 VanDerWaalsContact O-CG 3.3Å; D82-L85 WeakPolarHBondContact O-CG 3.49Å; D82-L85 PolarHBondContact O-N 2.98Å; N83-L85 HydrophobicContact CB-CD1 4.33Å; N83-L85 HydrophobicContact CB-CG 4.23Å; N83-L85 PolarHBondContact O-N 3.26Å; L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.34Å; L85-M88 PolarHBondContact O-N 3.41Å; L85-L89 WeakPolarHBondContact O-CB 3.4Å; L85-L89 VanDerWaalsContact O-CG 3.31Å; L85-L89 WeakPolarHBondContact O-CG 3.25Å; L85-L89 PolarHBondContact O-N 3.28Å; L85-F119 HydrophobicContact CD2-CE2 3.48Å; L85-F119 VanDerWaalsContact CD2-CE2 3.48Å; L85-F119 HydrophobicContact CD2-CZ 3.52Å; L85-F119 HydrophobicContact CG-CE2 4.19Å
86	S	87.4	Confident	78.3	Confident	46 Å²	46	60.3 Å²	60.3	32%	0.322	31%	0.307	S	S	.	.	H	α-helix	trans	-67.2	-33.3	174.2	-56.7	0	0	0	0	112.4	K55 D82 K84 S90	K55-S86 PolarHBondContact NZ-OG 2.81Å; D82-S86 VanDerWaalsContact CG-OG 3.25Å; D82-S86 PolarHBondContact OD1-OG 2.98Å; D82-S86 WeakPolarHBondContact OD2-CA 3.48Å; D82-S86 WeakPolarHBondContact OD2-CB 3.42Å; D82-S86 PolarHBondContact OD2-N 3.42Å; D82-S86 PolarHBondContact OD2-OG 3.09Å; K84-S86 VanDerWaalsContact C-N 3.35Å; K84-S86 PolarHBondContact O-N 3.26Å; S86-S90 WeakPolarHBondContact O-CB 3.5Å; S86-S90 PolarHBondContact O-N 2.96Å
87	E	88.7	Confident	79.6	Confident	90 Å²	90	66.4 Å²	66.4	42%	0.421	33%	0.334	S	S	.	.	H	α-helix	trans	-65.7	-46.6	173.7	-169.6	-171.2	157.9	0	0	110.4	K84 L85 L89 S90 L91 R115	K84-E87 HydrophobicContact CB-CB 4.31Å; K84-E87 WeakPolarHBondContact O-CA 3.46Å; K84-E87 WeakPolarHBondContact O-CB 3.42Å; K84-E87 PolarHBondContact O-N 3.07Å; L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.34Å; E87-L89 PolarHBondContact O-N 3.16Å; E87-S90 PolarHBondContact O-N 3.14Å; E87-S90 PolarHBondContact O-OG 3.43Å; E87-L91 PolarHBondContact O-N 3.33Å; E87-R115 IonicContact OE1-CZ 2.77Å; E87-R115 IonicContact OE1-NH1 3.95Å; E87-R115 PolarHBondContact OE1-NH1 3.37Å
88	M	92.5	Very high	81.1	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.039	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-42.9	178	-68.2	-62	-74	0	0	112.1	F51 K84 L85 S90 L91 F92 R115 L116 F119	F51-M88 HydrophobicContact CD1-CB 3.59Å; F51-M88 HydrophobicContact CD1-CG 4.24Å; F51-M88 HydrophobicContact CE1-CB 3.6Å; F51-M88 HydrophobicContact CE1-CE 3.96Å; F51-M88 HydrophobicContact CE1-CG 3.77Å; F51-M88 HydrophobicContact CZ-CE 4Å; K84-M88 WeakPolarHBondContact O-CG 3.48Å; K84-M88 PolarHBondContact O-N 2.79Å; L85-M88 PolarHBondContact O-N 3.41Å; M88-S90 PolarHBondContact O-N 3.09Å; M88-L91 WeakPolarHBondContact O-CB 3.32Å; M88-L91 PolarHBondContact O-N 2.67Å; M88-L91 HydrophobicContact SD-CD2 4.37Å; M88-F92 HydrophobicContact CB-CE2 4.18Å; M88-F92 HydrophobicContact CB-CZ 3.97Å; M88-F92 HydrophobicContact CE-CE1 3.94Å; M88-F92 HydrophobicContact CE-CZ 3.77Å; M88-F92 VanDerWaalsContact O-CD1 3.32Å; M88-F92 WeakPolarHBondContact O-CD1 3.43Å; M88-F92 WeakPolarHBondContact O-CD2 3.45Å; M88-F92 WeakPolarHBondContact O-CE2 3.38Å; M88-F92 WeakPolarHBondContact O-CG 3.3Å; M88-F92 PolarHBondContact O-N 3.17Å; M88-R115 HydrophobicContact CE-CB 4.1Å; M88-R115 HydrophobicContact SD-CB 4.02Å; M88-L116 HydrophobicContact CE-CD2 3.69Å; M88-L116 HydrophobicContact CE-CG 4.14Å; M88-F119 HydrophobicContact CE-CB 4.08Å; M88-F119 HydrophobicContact CG-CD2 4.18Å; M88-F119 HydrophobicContact SD-CB 4.5Å
89	L	92.4	Very high	82.6	Confident	16 Å²	16	52.7 Å²	52.7	8%	0.084	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-43.9	173.2	-73.7	169.5	0	0	0	111.7	F51 K52 K55 L85 E87 L91 F92 E93	F51-L89 HydrophobicContact CB-CD2 3.76Å; F51-L89 HydrophobicContact CB-CG 4.11Å; K52-L89 HydrophobicContact CG-CD1 4.44Å; K52-L89 HydrophobicContact CG-CD2 4.02Å; K55-L89 HydrophobicContact CD-CD1 4.03Å; L85-L89 WeakPolarHBondContact O-CB 3.4Å; L85-L89 VanDerWaalsContact O-CG 3.31Å; L85-L89 WeakPolarHBondContact O-CG 3.25Å; L85-L89 PolarHBondContact O-N 3.28Å; E87-L89 PolarHBondContact O-N 3.16Å; L89-L91 VanDerWaalsContact C-N 3.29Å; L89-L91 PolarHBondContact O-N 3.44Å; L89-F92 HydrophobicContact CD2-CD2 4.46Å; L89-F92 PolarHBondContact O-N 3.4Å; L89-E93 WeakPolarHBondContact O-CG 3.24Å; L89-E93 PolarHBondContact O-N 2.77Å
90	S	91.1	Very high	84.2	Confident	64 Å²	64	59.3 Å²	59.3	45%	0.448	31%	0.306	S	S	.	.	H	α-helix	trans	-63.4	-35.9	176.9	79.6	0	0	0	0	112.5	S86 E87 M88 K94	S86-S90 WeakPolarHBondContact O-CB 3.5Å; S86-S90 PolarHBondContact O-N 2.96Å; E87-S90 PolarHBondContact O-N 3.14Å; E87-S90 PolarHBondContact O-OG 3.43Å; M88-S90 PolarHBondContact O-N 3.09Å; S90-K94 VanDerWaalsContact O-CB 3.29Å; S90-K94 WeakPolarHBondContact O-CB 3.28Å; S90-K94 PolarHBondContact O-N 3.23Å
91	L	91.6	Very high	85.8	Confident	25 Å²	25	60.3 Å²	60.3	13%	0.131	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-53.2	174.3	176.2	63.9	0	0	0	109.2	E87 M88 L89 E93 K94 G95 Y108 L112 R115	E87-L91 PolarHBondContact O-N 3.33Å; M88-L91 WeakPolarHBondContact O-CB 3.32Å; M88-L91 PolarHBondContact O-N 2.67Å; M88-L91 HydrophobicContact SD-CD2 4.37Å; L89-L91 VanDerWaalsContact C-N 3.29Å; L89-L91 PolarHBondContact O-N 3.44Å; L91-E93 PolarHBondContact O-N 3.32Å; L91-K94 WeakPolarHBondContact O-CB 3.18Å; L91-K94 PolarHBondContact O-N 3.36Å; L91-K94 VanDerWaalsContact O-N 3.16Å; L91-G95 PolarHBondContact O-N 3.45Å; L91-Y108 HydrophobicContact CD1-CE2 4.03Å; L91-Y108 PolarHBondContact O-OH 2.56Å; L91-L112 HydrophobicContact CD2-CD1 4.36Å; L91-R115 HydrophobicContact CD2-CB 3.85Å; L91-R115 HydrophobicContact CD2-CG 3.89Å
92	F	94.3	Very high	87.4	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-42.5	-178.7	-49.3	-30	0	0	0	112.8	L44 L47 C48 F51 M88 L89 K94 G95 L96 L112 L116	L44-F92 HydrophobicContact CD2-CD1 4.38Å; L47-F92 HydrophobicContact CB-CD1 4.49Å; L47-F92 HydrophobicContact CB-CD2 3.99Å; L47-F92 HydrophobicContact CB-CE1 4.39Å; L47-F92 HydrophobicContact CB-CE2 3.87Å; L47-F92 HydrophobicContact CB-CG 4.3Å; L47-F92 HydrophobicContact CB-CZ 4.07Å; L47-F92 HydrophobicContact CD1-CD1 4.36Å; L47-F92 HydrophobicContact CD1-CE1 4.08Å; L47-F92 HydrophobicContact CD1-CZ 4.35Å; C48-F92 WeakPolarHBondContact SG-CB 3.42Å; F51-F92 HydrophobicContact CB-CE2 3.91Å; F51-F92 AromaticContact CD1-CE2 3.93Å; F51-F92 HydrophobicContact CD1-CE2 3.93Å; F51-F92 HydrophobicContact CD1-CZ 4.18Å; F51-F92 AromaticContact CD2-CE2 3.54Å; F51-F92 HydrophobicContact CD2-CE2 3.54Å; F51-F92 AromaticContact CD2-CZ 3.87Å; F51-F92 HydrophobicContact CD2-CZ 3.87Å; F51-F92 HydrophobicContact CE1-CE2 4.34Å; F51-F92 HydrophobicContact CE1-CZ 4.13Å; F51-F92 AromaticContact CE2-CE2 3.99Å; F51-F92 HydrophobicContact CE2-CE2 3.99Å; F51-F92 AromaticContact CE2-CZ 3.81Å; F51-F92 HydrophobicContact CE2-CZ 3.81Å; F51-F92 AromaticContact CG-CE2 3.51Å; F51-F92 HydrophobicContact CG-CE2 3.51Å; F51-F92 HydrophobicContact CG-CZ 4.06Å; F51-F92 HydrophobicContact CZ-CE2 4.37Å; F51-F92 AromaticContact CZ-CZ 3.94Å; F51-F92 HydrophobicContact CZ-CZ 3.94Å; M88-F92 HydrophobicContact CB-CE2 4.18Å; M88-F92 HydrophobicContact CB-CZ 3.97Å; M88-F92 HydrophobicContact CE-CE1 3.94Å; M88-F92 HydrophobicContact CE-CZ 3.77Å; M88-F92 VanDerWaalsContact O-CD1 3.32Å; M88-F92 WeakPolarHBondContact O-CD1 3.43Å; M88-F92 WeakPolarHBondContact O-CD2 3.45Å; M88-F92 WeakPolarHBondContact O-CE2 3.38Å; M88-F92 WeakPolarHBondContact O-CG 3.3Å; M88-F92 PolarHBondContact O-N 3.17Å; L89-F92 HydrophobicContact CD2-CD2 4.46Å; L89-F92 PolarHBondContact O-N 3.4Å; F92-K94 VanDerWaalsContact C-N 3.31Å; F92-K94 PolarHBondContact O-N 3.02Å; F92-G95 WeakPolarHBondContact O-CA 3.48Å; F92-G95 PolarHBondContact O-N 2.83Å; F92-G95 VanDerWaalsContact O-N 3.15Å; F92-L96 WeakPolarHBondContact O-CG 3.29Å; F92-L96 PolarHBondContact O-N 3.01Å; F92-L112 HydrophobicContact CD1-CD1 3.67Å; F92-L112 HydrophobicContact CE1-CD1 3.49Å; F92-L112 VanDerWaalsContact CE1-CD1 3.49Å; F92-L116 HydrophobicContact CE1-CD2 4.23Å; F92-L116 HydrophobicContact CZ-CD2 3.97Å
93	E	92.1	Very high	88.4	Confident	92 Å²	92	66.7 Å²	66.7	43%	0.43	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-40.8	175.5	-73.6	179.3	177.5	0	0	111.7	L89 L91 L96 Q97	L89-E93 WeakPolarHBondContact O-CG 3.24Å; L89-E93 PolarHBondContact O-N 2.77Å; L91-E93 PolarHBondContact O-N 3.32Å; E93-L96 PolarHBondContact O-N 2.94Å; E93-Q97 WeakPolarHBondContact O-CB 2.9Å; E93-Q97 WeakPolarHBondContact O-CG 3.39Å; E93-Q97 PolarHBondContact O-N 3.36Å
94	K	90.1	Very high	89.4	Confident	136 Å²	136	69 Å²	69	59%	0.591	34%	0.336	S	S	*	.	H	α-helix	trans	-61.4	-45.1	172.6	-173	178.7	-179.5	-177.9	0	110.9	S90 L91 F92 L96 Q97 S98	S90-K94 VanDerWaalsContact O-CB 3.29Å; S90-K94 WeakPolarHBondContact O-CB 3.28Å; S90-K94 PolarHBondContact O-N 3.23Å; L91-K94 WeakPolarHBondContact O-CB 3.18Å; L91-K94 PolarHBondContact O-N 3.36Å; L91-K94 VanDerWaalsContact O-N 3.16Å; F92-K94 VanDerWaalsContact C-N 3.31Å; F92-K94 PolarHBondContact O-N 3.02Å; K94-L96 VanDerWaalsContact C-N 3.31Å; K94-L96 PolarHBondContact O-N 2.94Å; K94-Q97 PolarHBondContact O-N 3.32Å; K94-S98 WeakPolarHBondContact O-CB 3.47Å; K94-S98 PolarHBondContact O-N 2.94Å; K94-S98 PolarHBondContact O-OG 3.13Å
95	G	89.5	Confident	89.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.8	-40.7	173.8	0	0	0	0	0	113.6	L91 F92 V99 Y108	L91-G95 PolarHBondContact O-N 3.45Å; F92-G95 WeakPolarHBondContact O-CA 3.48Å; F92-G95 PolarHBondContact O-N 2.83Å; F92-G95 VanDerWaalsContact O-N 3.15Å; G95-V99 WeakPolarHBondContact O-CB 3.46Å; G95-Y108 VanDerWaalsContact CA-CE2 3.43Å; G95-Y108 VanDerWaalsContact CA-CZ 3.47Å
96	L	90.9	Very high	89.8	Confident	37 Å²	37	67.1 Å²	67.1	19%	0.194	33%	0.332	C	S	.	.	H	α-helix	trans	-70.1	-32.2	177.8	-71.5	170.3	0	0	0	113.2	R41 L44 Q45 F92 E93 K94	R41-L96 HydrophobicContact CB-CD2 4.44Å; R41-L96 PolarHBondContact NH1-O 3.29Å; R41-L96 VanDerWaalsContact NH1-O 3.15Å; R41-L96 PolarHBondContact NH2-O 3.22Å; L44-L96 HydrophobicContact CB-CD1 4.5Å; L44-L96 HydrophobicContact CB-CD2 3.71Å; L44-L96 HydrophobicContact CB-CG 3.94Å; L44-L96 HydrophobicContact CD1-CD2 4.18Å; L44-L96 HydrophobicContact CD1-CG 4.13Å; Q45-L96 HydrophobicContact CG-CD1 4.42Å; Q45-L96 HydrophobicContact CG-CD2 4.15Å; F92-L96 WeakPolarHBondContact O-CG 3.29Å; F92-L96 PolarHBondContact O-N 3.01Å; E93-L96 PolarHBondContact O-N 2.94Å; K94-L96 VanDerWaalsContact C-N 3.31Å; K94-L96 PolarHBondContact O-N 2.94Å
97	Q	89.1	Confident	89.8	Confident	149 Å²	149	68.7 Å²	68.7	70%	0.696	34%	0.336	S	S	*	.	H	α-helix	trans	-93.6	-42	-175.1	-67.9	176.7	11.6	0	0	113.8	E93 K94	E93-Q97 WeakPolarHBondContact O-CB 2.9Å; E93-Q97 WeakPolarHBondContact O-CG 3.39Å; E93-Q97 PolarHBondContact O-N 3.36Å; K94-Q97 PolarHBondContact O-N 3.32Å
98	S	84.3	Confident	90	Very high	62 Å²	62	65.2 Å²	65.2	43%	0.434	32%	0.319	S	S	.	.	H	α-helix	trans	-98.3	-25	-166.8	71	0	0	0	0	114.8	K94	K94-S98 WeakPolarHBondContact O-CB 3.47Å; K94-S98 PolarHBondContact O-N 2.94Å; K94-S98 PolarHBondContact O-OG 3.13Å
99	V	89.7	Confident	89.8	Confident	7 Å²	7	65.3 Å²	65.3	4%	0.042	32%	0.321	C	S	.	.			trans	-86	118.5	-175.4	177.6	0	0	0	0	110.3	F40 R41 G95 E104 Q105 Y108	F40-V99 HydrophobicContact CE1-CB 4.05Å; F40-V99 HydrophobicContact CE1-CG1 3.88Å; F40-V99 HydrophobicContact CZ-CB 4.23Å; F40-V99 HydrophobicContact CZ-CG1 3.99Å; F40-V99 HydrophobicContact CZ-CG2 4.39Å; R41-V99 PolarHBondContact NH2-O 3.23Å; G95-V99 WeakPolarHBondContact O-CB 3.46Å; V99-E104 HydrophobicContact CG1-CB 3.85Å; V99-Q105 HydrophobicContact CG1-CB 4.17Å; V99-Q105 HydrophobicContact CG1-CG 3.44Å; V99-Q105 VanDerWaalsContact CG1-CG 3.44Å; V99-Y108 HydrophobicContact CG2-CD2 3.74Å; V99-Y108 HydrophobicContact CG2-CE2 4.46Å; V99-Y108 HydrophobicContact CG2-CG 3.95Å
100	K	84.9	Confident	89.4	Confident	171 Å²	171	70.5 Å²	70.5	74%	0.743	35%	0.345	S	S	*	.			trans	-124.4	-29.4	-173.6	-64.4	-177.8	-177.6	178.1	0	113.9	E104	K100-E104 PolarHBondContact N-OE2 2.73Å
101	S	90.8	Very high	89.1	Confident	48 Å²	48	71.9 Å²	71.9	34%	0.336	34%	0.344	S	S	.	.	S	Bend	trans	-101.5	159.7	-179.7	67.2	0	0	0	0	113	Y103 E104 Q105	S101-Y103 VanDerWaalsContact C-N 3.34Å; S101-E104 PolarHBondContact N-OE2 2.85Å; S101-E104 PolarHBondContact O-N 2.84Å; S101-E104 WeakPolarHBondContact OG-CB 3.39Å; S101-E104 WeakPolarHBondContact OG-CG 3.33Å; S101-E104 PolarHBondContact OG-N 3.12Å; S101-E104 PolarHBondContact OG-OE2 2.8Å; S101-Q105 VanDerWaalsContact O-CG 3.3Å; S101-Q105 WeakPolarHBondContact O-CG 3.24Å; S101-Q105 PolarHBondContact O-N 3.16Å; S101-Q105 PolarHBondContact O-NE2 3.45Å
102	E	90.6	Very high	89	Confident	109 Å²	109	70.7 Å²	70.7	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-60.3	-42.9	175	-176	-177.8	176.5	0	0	111.8	S35 E104 Q105 L106	S35-E102 VanDerWaalsContact CB-OE1 3.25Å; S35-E102 WeakPolarHBondContact CB-OE1 3.22Å; S35-E102 PolarHBondContact OG-OE1 2.96Å; E102-E104 VanDerWaalsContact C-N 3.34Å; E102-E104 PolarHBondContact O-N 2.95Å; E102-Q105 WeakPolarHBondContact O-CB 3.46Å; E102-Q105 PolarHBondContact O-N 3.34Å; E102-Q105 VanDerWaalsContact O-N 3.11Å; E102-L106 PolarHBondContact O-N 3.03Å
103	Y	88.9	Confident	88.6	Confident	182 Å²	182	75.8 Å²	75.8	71%	0.714	36%	0.36	S	S	*	.	H	α-helix	trans	-60.5	-42.7	177.7	179.5	-100	0	0	0	112.3	S101 Q105 L106 N107	S101-Y103 VanDerWaalsContact C-N 3.34Å; Y103-Q105 VanDerWaalsContact C-N 3.34Å; Y103-L106 PolarHBondContact O-N 2.79Å; Y103-N107 PolarHBondContact O-N 2.78Å; Y103-N107 VanDerWaalsContact O-N 3.17Å
104	E	89.4	Confident	88.3	Confident	84 Å²	84	76.1 Å²	76.1	39%	0.393	36%	0.362	S	S	.	.	H	α-helix	trans	-66.4	-35.1	174.7	-70.5	165.6	159.5	0	0	112.2	V99 K100 S101 E102 Y108	V99-E104 HydrophobicContact CG1-CB 3.85Å; K100-E104 PolarHBondContact N-OE2 2.73Å; S101-E104 PolarHBondContact N-OE2 2.85Å; S101-E104 PolarHBondContact O-N 2.84Å; S101-E104 WeakPolarHBondContact OG-CB 3.39Å; S101-E104 WeakPolarHBondContact OG-CG 3.33Å; S101-E104 PolarHBondContact OG-N 3.12Å; S101-E104 PolarHBondContact OG-OE2 2.8Å; E102-E104 VanDerWaalsContact C-N 3.34Å; E102-E104 PolarHBondContact O-N 2.95Å; E104-Y108 WeakPolarHBondContact O-CB 3.15Å; E104-Y108 PolarHBondContact O-N 3.19Å
105	Q	90.3	Very high	88.1	Confident	5 Å²	5	74.9 Å²	74.9	2%	0.023	35%	0.354	C	S	.	.	H	α-helix	trans	-63	-45.8	176.8	-71.5	168.1	47.7	0	0	111.3	F34 N37 F40 V99 S101 E102 Y103 Y108 A109	F34-Q105 VanDerWaalsContact O-CB 3.32Å; F34-Q105 WeakPolarHBondContact O-CB 3.43Å; F34-Q105 PolarHBondContact O-OE1 3.48Å; N37-Q105 PolarHBondContact ND2-NE2 2.99Å; F40-Q105 HydrophobicContact CD1-CG 3.9Å; F40-Q105 HydrophobicContact CD2-CB 4.41Å; F40-Q105 HydrophobicContact CD2-CG 4.39Å; F40-Q105 HydrophobicContact CE1-CG 4.09Å; F40-Q105 HydrophobicContact CG-CB 4.49Å; F40-Q105 HydrophobicContact CG-CG 4.05Å; F40-Q105 HydrophobicContact CZ-CG 4.39Å; V99-Q105 HydrophobicContact CG1-CB 4.17Å; V99-Q105 HydrophobicContact CG1-CG 3.44Å; V99-Q105 VanDerWaalsContact CG1-CG 3.44Å; S101-Q105 VanDerWaalsContact O-CG 3.3Å; S101-Q105 WeakPolarHBondContact O-CG 3.24Å; S101-Q105 PolarHBondContact O-N 3.16Å; S101-Q105 PolarHBondContact O-NE2 3.45Å; E102-Q105 WeakPolarHBondContact O-CB 3.46Å; E102-Q105 PolarHBondContact O-N 3.34Å; E102-Q105 VanDerWaalsContact O-N 3.11Å; Y103-Q105 VanDerWaalsContact C-N 3.34Å; Q105-Y108 PolarHBondContact O-N 3.42Å; Q105-A109 VanDerWaalsContact O-CB 3.26Å; Q105-A109 WeakPolarHBondContact O-CB 3.26Å; Q105-A109 PolarHBondContact O-N 2.78Å
106	L	87.6	Confident	88	Confident	79 Å²	79	75 Å²	75	41%	0.414	35%	0.354	S	S	.	.	H	α-helix	trans	-65.7	-42.6	179.4	-66.9	173.9	0	0	0	112.2	F34 E102 Y103 A109 Q110	F34-L106 HydrophobicContact CB-CD2 4Å; E102-L106 PolarHBondContact O-N 3.03Å; Y103-L106 PolarHBondContact O-N 2.79Å; L106-A109 WeakPolarHBondContact O-CB 3.38Å; L106-A109 PolarHBondContact O-N 3.16Å; L106-Q110 PolarHBondContact O-N 2.99Å
107	N	87.8	Confident	87.6	Confident	78 Å²	78	77.4 Å²	77.4	42%	0.417	36%	0.364	S	S	.	.	H	α-helix	trans	-66.4	-40.5	176.3	-174	25.6	0	0	0	111.8	Y103 A109 Q110 Q111	Y103-N107 PolarHBondContact O-N 2.78Å; Y103-N107 VanDerWaalsContact O-N 3.17Å; N107-A109 VanDerWaalsContact C-N 3.34Å; N107-Q110 PolarHBondContact O-N 3.26Å; N107-Q111 PolarHBondContact O-N 2.95Å
108	Y	92.4	Very high	87.2	Confident	18 Å²	18	72.4 Å²	72.4	7%	0.071	35%	0.349	C	S	.	.	H	α-helix	trans	-64.8	-39.8	174.6	-176.8	-79.4	0	0	0	111.3	F40 L44 L91 G95 V99 E104 Q105 Q110 Q111 L112	F40-Y108 AromaticContact CE2-CD1 3.62Å; F40-Y108 HydrophobicContact CE2-CD1 3.62Å; F40-Y108 HydrophobicContact CE2-CE1 4.18Å; F40-Y108 HydrophobicContact CE2-CG 4.43Å; F40-Y108 AromaticContact CZ-CD1 3.61Å; F40-Y108 HydrophobicContact CZ-CD1 3.61Å; F40-Y108 HydrophobicContact CZ-CE1 4.06Å; F40-Y108 HydrophobicContact CZ-CG 4.15Å; L44-Y108 HydrophobicContact CD1-CE1 4.19Å; L44-Y108 HydrophobicContact CD2-CE1 3.97Å; L91-Y108 HydrophobicContact CD1-CE2 4.03Å; L91-Y108 PolarHBondContact O-OH 2.56Å; G95-Y108 VanDerWaalsContact CA-CE2 3.43Å; G95-Y108 VanDerWaalsContact CA-CZ 3.47Å; V99-Y108 HydrophobicContact CG2-CD2 3.74Å; V99-Y108 HydrophobicContact CG2-CE2 4.46Å; V99-Y108 HydrophobicContact CG2-CG 3.95Å; E104-Y108 WeakPolarHBondContact O-CB 3.15Å; E104-Y108 PolarHBondContact O-N 3.19Å; Q105-Y108 PolarHBondContact O-N 3.42Å; Y108-Q110 VanDerWaalsContact C-N 3.31Å; Y108-Q110 PolarHBondContact O-N 3.46Å; Y108-Q111 PolarHBondContact O-N 2.61Å; Y108-L112 HydrophobicContact CD1-CB 4.19Å; Y108-L112 HydrophobicContact CE1-CB 3.94Å; Y108-L112 HydrophobicContact CE1-CD1 4.17Å; Y108-L112 HydrophobicContact CE1-CD2 4.08Å; Y108-L112 HydrophobicContact CE1-CG 4.29Å; Y108-L112 VanDerWaalsContact O-CB 3.28Å; Y108-L112 WeakPolarHBondContact O-CB 3.27Å; Y108-L112 PolarHBondContact O-N 3.32Å
109	A	87.8	Confident	87.5	Confident	10 Å²	10	70 Å²	70	8%	0.083	33%	0.331	C	S	.	.	H	α-helix	trans	-60.7	-39	179.1	0	0	0	0	0	112.6	F34 Q105 L106 N107 L112 K113	F34-A109 HydrophobicContact CB-CB 3.86Å; F34-A109 HydrophobicContact CD1-CB 3.26Å; F34-A109 HydrophobicContact CD2-CB 4.09Å; F34-A109 HydrophobicContact CE1-CB 3.79Å; F34-A109 HydrophobicContact CG-CB 3.46Å; F34-A109 VanDerWaalsContact CG-CB 3.46Å; F34-A109 HydrophobicContact CZ-CB 4.39Å; Q105-A109 VanDerWaalsContact O-CB 3.26Å; Q105-A109 WeakPolarHBondContact O-CB 3.26Å; Q105-A109 PolarHBondContact O-N 2.78Å; L106-A109 WeakPolarHBondContact O-CB 3.38Å; L106-A109 PolarHBondContact O-N 3.16Å; N107-A109 VanDerWaalsContact C-N 3.34Å; A109-L112 PolarHBondContact O-N 3.04Å; A109-K113 WeakPolarHBondContact O-CB 3.32Å; A109-K113 PolarHBondContact O-N 3.46Å
110	Q	83.4	Confident	87.3	Confident	124 Å²	124	70.8 Å²	70.8	58%	0.579	34%	0.335	S	S	*	.	H	α-helix	trans	-62.2	-48.1	175.5	-175.2	173	-2.7	0	0	111.4	L106 N107 Y108 L112 K113 E114	L106-Q110 PolarHBondContact O-N 2.99Å; N107-Q110 PolarHBondContact O-N 3.26Å; Y108-Q110 VanDerWaalsContact C-N 3.31Å; Y108-Q110 PolarHBondContact O-N 3.46Å; Q110-L112 PolarHBondContact O-N 3.29Å; Q110-K113 PolarHBondContact O-N 3.08Å; Q110-E114 WeakPolarHBondContact O-CG 3.27Å; Q110-E114 PolarHBondContact O-N 3.43Å; Q110-E114 VanDerWaalsContact O-N 3.16Å
111	Q	86.6	Confident	87.1	Confident	93 Å²	93	69.5 Å²	69.5	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-40.8	177	-67.9	173.3	54.1	0	0	111.7	N107 Y108 K113 E114 R115	N107-Q111 PolarHBondContact O-N 2.95Å; Y108-Q111 PolarHBondContact O-N 2.61Å; Q111-K113 VanDerWaalsContact C-N 3.33Å; Q111-K113 PolarHBondContact O-N 3.2Å; Q111-E114 PolarHBondContact O-N 3.21Å; Q111-R115 WeakPolarHBondContact O-CB 3.46Å; Q111-R115 WeakPolarHBondContact O-CG 3.32Å; Q111-R115 PolarHBondContact O-N 3.4Å
112	L	88.2	Confident	86.7	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-44.7	177.2	-179.8	67.3	0	0	0	111.3	F34 F43 L44 L47 L91 F92 Y108 A109 Q110 R115 L116	F34-L112 HydrophobicContact CE1-CD2 4.31Å; F43-L112 HydrophobicContact CD1-CD2 4.1Å; F43-L112 HydrophobicContact CE1-CD2 3.73Å; L44-L112 HydrophobicContact CD2-CD1 4.21Å; L44-L112 HydrophobicContact CD2-CD2 3.69Å; L47-L112 HydrophobicContact CD1-CD1 4.08Å; L47-L112 HydrophobicContact CD1-CD2 4.08Å; L47-L112 HydrophobicContact CD1-CG 4.43Å; L91-L112 HydrophobicContact CD2-CD1 4.36Å; F92-L112 HydrophobicContact CD1-CD1 3.67Å; F92-L112 HydrophobicContact CE1-CD1 3.49Å; F92-L112 VanDerWaalsContact CE1-CD1 3.49Å; Y108-L112 HydrophobicContact CD1-CB 4.19Å; Y108-L112 HydrophobicContact CE1-CB 3.94Å; Y108-L112 HydrophobicContact CE1-CD1 4.17Å; Y108-L112 HydrophobicContact CE1-CD2 4.08Å; Y108-L112 HydrophobicContact CE1-CG 4.29Å; Y108-L112 VanDerWaalsContact O-CB 3.28Å; Y108-L112 WeakPolarHBondContact O-CB 3.27Å; Y108-L112 PolarHBondContact O-N 3.32Å; A109-L112 PolarHBondContact O-N 3.04Å; Q110-L112 PolarHBondContact O-N 3.29Å; L112-R115 PolarHBondContact O-N 3.13Å; L112-L116 HydrophobicContact CD1-CD1 4.13Å; L112-L116 HydrophobicContact CD1-CG 4.31Å; L112-L116 HydrophobicContact CG-CD1 3.89Å; L112-L116 HydrophobicContact CG-CG 4.45Å; L112-L116 WeakPolarHBondContact O-CB 3.41Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.44Å; L112-L116 PolarHBondContact O-N 3.12Å
113	K	86.7	Confident	86.4	Confident	107 Å²	107	66.4 Å²	66.4	47%	0.465	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-51	178	179.3	173.7	175.6	-178.1	0	111.3	L29 A109 Q110 Q111 R115 L116 E117	L29-K113 HydrophobicContact CD2-CG 4.34Å; A109-K113 WeakPolarHBondContact O-CB 3.32Å; A109-K113 PolarHBondContact O-N 3.46Å; Q110-K113 PolarHBondContact O-N 3.08Å; Q111-K113 VanDerWaalsContact C-N 3.33Å; Q111-K113 PolarHBondContact O-N 3.2Å; K113-R115 VanDerWaalsContact C-N 3.27Å; K113-R115 PolarHBondContact O-N 3.1Å; K113-L116 PolarHBondContact O-N 3.31Å; K113-E117 WeakPolarHBondContact CE-OE1 3.37Å; K113-E117 HydrophobicContact CG-CG 4.5Å; K113-E117 WeakPolarHBondContact CG-OE1 3.21Å; K113-E117 IonicContact NZ-OE1 2.74Å; K113-E117 WeakPolarHBondContact O-CB 3.44Å; K113-E117 WeakPolarHBondContact O-CG 3.23Å; K113-E117 PolarHBondContact O-N 2.75Å
114	E	84.9	Confident	86.3	Confident	99 Å²	99	61 Å²	61	46%	0.463	30%	0.298	S	S	.	.	H	α-helix	trans	-58.7	-39.7	178.3	-69.7	176.8	-175.5	0	0	111.9	Q110 Q111 A118	Q110-E114 WeakPolarHBondContact O-CG 3.27Å; Q110-E114 PolarHBondContact O-N 3.43Å; Q110-E114 VanDerWaalsContact O-N 3.16Å; Q111-E114 PolarHBondContact O-N 3.21Å; E114-A118 WeakPolarHBondContact O-CB 3.42Å; E114-A118 PolarHBondContact O-N 3.3Å
115	R	86.4	Confident	86	Confident	111 Å²	111	60.7 Å²	60.7	42%	0.419	30%	0.304	S	S	.	.	H	α-helix	trans	-71.8	-38.4	178.5	-67	-59.3	-173.8	95.7	-3.5	113.3	E87 M88 L91 Q111 L112 K113 F119	E87-R115 IonicContact OE1-CZ 2.77Å; E87-R115 IonicContact OE1-NH1 3.95Å; E87-R115 PolarHBondContact OE1-NH1 3.37Å; M88-R115 HydrophobicContact CE-CB 4.1Å; M88-R115 HydrophobicContact SD-CB 4.02Å; L91-R115 HydrophobicContact CD2-CB 3.85Å; L91-R115 HydrophobicContact CD2-CG 3.89Å; Q111-R115 WeakPolarHBondContact O-CB 3.46Å; Q111-R115 WeakPolarHBondContact O-CG 3.32Å; Q111-R115 PolarHBondContact O-N 3.4Å; L112-R115 PolarHBondContact O-N 3.13Å; K113-R115 VanDerWaalsContact C-N 3.27Å; K113-R115 PolarHBondContact O-N 3.1Å; R115-F119 WeakPolarHBondContact O-CB 3.49Å; R115-F119 PolarHBondContact O-N 3.17Å
116	L	86.8	Confident	85.7	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-67.9	-40	175.1	-74	169.9	0	0	0	111.7	Y25 L29 F43 L47 F51 M88 F92 L112 K113 F119 T120	Y25-L116 HydrophobicContact CE2-CD2 4.41Å; L29-L116 HydrophobicContact CD1-CD1 4.44Å; L29-L116 HydrophobicContact CD2-CD1 4.24Å; F43-L116 HydrophobicContact CE1-CD1 4.45Å; F43-L116 HydrophobicContact CZ-CD1 4.25Å; L47-L116 HydrophobicContact CD1-CD1 3.83Å; L47-L116 HydrophobicContact CD1-CD2 4.4Å; L47-L116 HydrophobicContact CD2-CD1 4.14Å; L47-L116 HydrophobicContact CD2-CD2 3.86Å; F51-L116 HydrophobicContact CE2-CD2 3.75Å; F51-L116 HydrophobicContact CZ-CD2 3.6Å; M88-L116 HydrophobicContact CE-CD2 3.69Å; M88-L116 HydrophobicContact CE-CG 4.14Å; F92-L116 HydrophobicContact CE1-CD2 4.23Å; F92-L116 HydrophobicContact CZ-CD2 3.97Å; L112-L116 HydrophobicContact CD1-CD1 4.13Å; L112-L116 HydrophobicContact CD1-CG 4.31Å; L112-L116 HydrophobicContact CG-CD1 3.89Å; L112-L116 HydrophobicContact CG-CG 4.45Å; L112-L116 WeakPolarHBondContact O-CB 3.41Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.44Å; L112-L116 PolarHBondContact O-N 3.12Å; K113-L116 PolarHBondContact O-N 3.31Å; L116-F119 PolarHBondContact O-N 3.01Å; L116-T120 WeakPolarHBondContact O-CB 3.35Å; L116-T120 PolarHBondContact O-N 3.34Å; L116-T120 PolarHBondContact O-OG1 3.05Å
117	E	83.3	Confident	85.7	Confident	88 Å²	88	58 Å²	58	41%	0.411	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-48.7	175.2	-75.2	173.3	-178.7	0	0	110.9	K113 F119 T120 Q121	K113-E117 WeakPolarHBondContact CE-OE1 3.37Å; K113-E117 HydrophobicContact CG-CG 4.5Å; K113-E117 WeakPolarHBondContact CG-OE1 3.21Å; K113-E117 IonicContact NZ-OE1 2.74Å; K113-E117 WeakPolarHBondContact O-CB 3.44Å; K113-E117 WeakPolarHBondContact O-CG 3.23Å; K113-E117 PolarHBondContact O-N 2.75Å; E117-F119 PolarHBondContact O-N 2.95Å; E117-T120 PolarHBondContact O-N 3.48Å; E117-Q121 WeakPolarHBondContact O-CG 3.31Å; E117-Q121 PolarHBondContact O-N 3.49Å
118	A	81.4	Confident	85.6	Confident	45 Å²	45	59.4 Å²	59.4	37%	0.372	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-44.9	175.9	0	0	0	0	0	112.1	E114 T120 Q121 D122	E114-A118 WeakPolarHBondContact O-CB 3.42Å; E114-A118 PolarHBondContact O-N 3.3Å; A118-T120 PolarHBondContact O-N 3.3Å; A118-Q121 PolarHBondContact O-N 2.94Å; A118-D122 PolarHBondContact O-N 3.34Å
119	F	88.6	Confident	85.3	Confident	12 Å²	12	63.7 Å²	63.7	5%	0.053	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-45.3	175.7	173.5	-93.5	0	0	0	111.8	F51 F54 N83 L85 M88 R115 L116 E117 Q121 D122 F123	F51-F119 HydrophobicContact CD1-CE1 4.44Å; F51-F119 HydrophobicContact CD1-CE2 4.45Å; F51-F119 HydrophobicContact CD1-CZ 4.28Å; F51-F119 AromaticContact CE1-CD1 3.55Å; F51-F119 HydrophobicContact CE1-CD1 3.55Å; F51-F119 AromaticContact CE1-CD2 3.84Å; F51-F119 HydrophobicContact CE1-CD2 3.84Å; F51-F119 AromaticContact CE1-CE1 3.54Å; F51-F119 HydrophobicContact CE1-CE1 3.54Å; F51-F119 AromaticContact CE1-CE2 3.83Å; F51-F119 HydrophobicContact CE1-CE2 3.83Å; F51-F119 AromaticContact CE1-CG 3.72Å; F51-F119 HydrophobicContact CE1-CG 3.72Å; F51-F119 AromaticContact CE1-CZ 3.68Å; F51-F119 HydrophobicContact CE1-CZ 3.68Å; F51-F119 AromaticContact CZ-CD1 3.47Å; F51-F119 HydrophobicContact CZ-CD1 3.47Å; F51-F119 VanDerWaalsContact CZ-CD1 3.47Å; F51-F119 AromaticContact CZ-CE1 3.62Å; F51-F119 HydrophobicContact CZ-CE1 3.62Å; F51-F119 AromaticContact CZ-CG 3.98Å; F51-F119 HydrophobicContact CZ-CG 3.98Å; F51-F119 HydrophobicContact CZ-CZ 4.25Å; F54-F119 AromaticContact CD2-CE1 3.81Å; F54-F119 HydrophobicContact CD2-CE1 3.81Å; F54-F119 AromaticContact CD2-CZ 3.79Å; F54-F119 HydrophobicContact CD2-CZ 3.79Å; F54-F119 AromaticContact CE2-CE1 3.73Å; F54-F119 HydrophobicContact CE2-CE1 3.73Å; F54-F119 HydrophobicContact CE2-CZ 4.2Å; N83-F119 WeakPolarHBondContact O-CE2 3.18Å; L85-F119 HydrophobicContact CD2-CE2 3.48Å; L85-F119 VanDerWaalsContact CD2-CE2 3.48Å; L85-F119 HydrophobicContact CD2-CZ 3.52Å; L85-F119 HydrophobicContact CG-CE2 4.19Å; M88-F119 HydrophobicContact CE-CB 4.08Å; M88-F119 HydrophobicContact CG-CD2 4.18Å; M88-F119 HydrophobicContact SD-CB 4.5Å; R115-F119 WeakPolarHBondContact O-CB 3.49Å; R115-F119 PolarHBondContact O-N 3.17Å; L116-F119 PolarHBondContact O-N 3.01Å; E117-F119 PolarHBondContact O-N 2.95Å; F119-Q121 VanDerWaalsContact C-N 3.32Å; F119-Q121 PolarHBondContact O-N 2.96Å; F119-D122 PolarHBondContact O-N 3.18Å; F119-F123 HydrophobicContact CD1-CB 4.25Å; F119-F123 HydrophobicContact CE1-CB 3.77Å; F119-F123 AromaticContact CE1-CD1 3.78Å; F119-F123 HydrophobicContact CE1-CD1 3.78Å; F119-F123 HydrophobicContact CE1-CD2 4.31Å; F119-F123 HydrophobicContact CE1-CE1 4.44Å; F119-F123 AromaticContact CE1-CG 3.7Å; F119-F123 HydrophobicContact CE1-CG 3.7Å; F119-F123 HydrophobicContact CE2-CB 4.34Å; F119-F123 HydrophobicContact CE2-CD2 4.32Å; F119-F123 HydrophobicContact CE2-CG 4.38Å; F119-F123 HydrophobicContact CZ-CB 3.82Å; F119-F123 AromaticContact CZ-CD1 3.95Å; F119-F123 HydrophobicContact CZ-CD1 3.95Å; F119-F123 AromaticContact CZ-CD2 3.68Å; F119-F123 HydrophobicContact CZ-CD2 3.68Å; F119-F123 HydrophobicContact CZ-CE1 4.43Å; F119-F123 HydrophobicContact CZ-CE2 4.2Å; F119-F123 AromaticContact CZ-CG 3.55Å; F119-F123 HydrophobicContact CZ-CG 3.55Å; F119-F123 VanDerWaalsContact O-CB 3.22Å; F119-F123 WeakPolarHBondContact O-CB 2.93Å; F119-F123 PolarHBondContact O-N 3.11Å
120	T	86.3	Confident	85.4	Confident	22 Å²	22	63.2 Å²	63.2	14%	0.135	31%	0.308	C	S	.	.	H	α-helix	trans	-65.6	-35.9	-178.3	-47.5	0	0	0	0	112	V22 Y25 L116 E117 A118 D122 L124	V22-T120 HydrophobicContact CG1-CG2 3.63Å; Y25-T120 PolarHBondContact OH-OG1 3.36Å; L116-T120 WeakPolarHBondContact O-CB 3.35Å; L116-T120 PolarHBondContact O-N 3.34Å; L116-T120 PolarHBondContact O-OG1 3.05Å; E117-T120 PolarHBondContact O-N 3.48Å; A118-T120 PolarHBondContact O-N 3.3Å; T120-D122 VanDerWaalsContact C-N 3.28Å; T120-D122 PolarHBondContact O-N 3.35Å; T120-L124 HydrophobicContact CG2-CD1 3.96Å; T120-L124 HydrophobicContact CG2-CG 4.15Å; T120-L124 PolarHBondContact O-N 3.3Å
121	Q	80.8	Confident	85.6	Confident	144 Å²	144	59.5 Å²	59.5	67%	0.673	29%	0.291	S	S	*	.	H	α-helix	trans	-65.2	-30.8	176.7	-75	177.8	6	0	0	112.7	E117 A118 F119 P125	E117-Q121 WeakPolarHBondContact O-CG 3.31Å; E117-Q121 PolarHBondContact O-N 3.49Å; A118-Q121 PolarHBondContact O-N 2.94Å; F119-Q121 VanDerWaalsContact C-N 3.32Å; F119-Q121 PolarHBondContact O-N 2.96Å; Q121-P125 WeakPolarHBondContact O-CD 3.31Å; Q121-P125 WeakPolarHBondContact O-CG 3.34Å
122	D	82.3	Confident	85.7	Confident	91 Å²	91	60.8 Å²	60.8	49%	0.487	30%	0.297	S	S	.	.	H	α-helix	trans	-85.9	-39.6	176	-67.3	-11.4	0	0	0	111.4	K84 A118 F119 T120 P125 H126	K84-D122 IonicContact NZ-OD2 3.75Å; K84-D122 PolarHBondContact NZ-OD2 2.99Å; K84-D122 VanDerWaalsContact NZ-OD2 3.15Å; A118-D122 PolarHBondContact O-N 3.34Å; F119-D122 PolarHBondContact O-N 3.18Å; T120-D122 VanDerWaalsContact C-N 3.28Å; T120-D122 PolarHBondContact O-N 3.35Å; D122-P125 WeakPolarHBondContact O-CD 3.46Å; D122-H126 WeakPolarHBondContact O-CB 3.29Å; D122-H126 PolarHBondContact O-N 3.16Å
123	F	85.4	Confident	85.7	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.009	32%	0.315	C	S	.	.	H	α-helix	trans	-74.2	-33.5	-170.8	-170.2	-120.9	0	0	0	114.4	M18 V22 F54 F119 M127	M18-F123 HydrophobicContact CB-CE1 4.11Å; M18-F123 HydrophobicContact CB-CZ 4.32Å; M18-F123 HydrophobicContact CG-CZ 4.43Å; V22-F123 HydrophobicContact CG2-CD1 4.19Å; V22-F123 HydrophobicContact CG2-CE1 4.42Å; F54-F123 HydrophobicContact CB-CZ 4.13Å; F54-F123 AromaticContact CD1-CE1 3.8Å; F54-F123 HydrophobicContact CD1-CE1 3.8Å; F54-F123 AromaticContact CD1-CZ 3.76Å; F54-F123 HydrophobicContact CD1-CZ 3.76Å; F54-F123 HydrophobicContact CD2-CE1 4.08Å; F54-F123 HydrophobicContact CD2-CZ 4.23Å; F54-F123 AromaticContact CE1-CE1 3.72Å; F54-F123 HydrophobicContact CE1-CE1 3.72Å; F54-F123 HydrophobicContact CE1-CZ 4.16Å; F54-F123 HydrophobicContact CE2-CD1 4.44Å; F54-F123 HydrophobicContact CE2-CE1 4.02Å; F54-F123 AromaticContact CG-CE1 3.99Å; F54-F123 HydrophobicContact CG-CE1 3.99Å; F54-F123 AromaticContact CG-CZ 3.8Å; F54-F123 HydrophobicContact CG-CZ 3.8Å; F54-F123 HydrophobicContact CZ-CD1 4.48Å; F54-F123 AromaticContact CZ-CE1 3.83Å; F54-F123 HydrophobicContact CZ-CE1 3.83Å; F119-F123 HydrophobicContact CD1-CB 4.25Å; F119-F123 HydrophobicContact CE1-CB 3.77Å; F119-F123 AromaticContact CE1-CD1 3.78Å; F119-F123 HydrophobicContact CE1-CD1 3.78Å; F119-F123 HydrophobicContact CE1-CD2 4.31Å; F119-F123 HydrophobicContact CE1-CE1 4.44Å; F119-F123 AromaticContact CE1-CG 3.7Å; F119-F123 HydrophobicContact CE1-CG 3.7Å; F119-F123 HydrophobicContact CE2-CB 4.34Å; F119-F123 HydrophobicContact CE2-CD2 4.32Å; F119-F123 HydrophobicContact CE2-CG 4.38Å; F119-F123 HydrophobicContact CZ-CB 3.82Å; F119-F123 AromaticContact CZ-CD1 3.95Å; F119-F123 HydrophobicContact CZ-CD1 3.95Å; F119-F123 AromaticContact CZ-CD2 3.68Å; F119-F123 HydrophobicContact CZ-CD2 3.68Å; F119-F123 HydrophobicContact CZ-CE1 4.43Å; F119-F123 HydrophobicContact CZ-CE2 4.2Å; F119-F123 AromaticContact CZ-CG 3.55Å; F119-F123 HydrophobicContact CZ-CG 3.55Å; F119-F123 VanDerWaalsContact O-CB 3.22Å; F119-F123 WeakPolarHBondContact O-CB 2.93Å; F119-F123 PolarHBondContact O-N 3.11Å; F123-M127 HydrophobicContact CD1-CE 3.94Å; F123-M127 HydrophobicContact CE1-CE 3.9Å; F123-M127 HydrophobicContact CE1-SD 4.3Å; F123-M127 HydrophobicContact CZ-SD 4.41Å; F123-M127 PolarHBondContact O-N 3.01Å
124	L	85.3	Confident	85.9	Confident	69 Å²	69	59.4 Å²	59.4	36%	0.361	30%	0.296	S	S	.	.	H	α-helix	trans	-72.3	-44	178.2	-64.4	178.6	0	0	0	113.2	K19 V22 T120 H126 M127 K128	K19-L124 HydrophobicContact CG-CD2 4.15Å; V22-L124 HydrophobicContact CG2-CD2 4.48Å; T120-L124 HydrophobicContact CG2-CD1 3.96Å; T120-L124 HydrophobicContact CG2-CG 4.15Å; T120-L124 PolarHBondContact O-N 3.3Å; L124-H126 VanDerWaalsContact C-N 3.32Å; L124-M127 HydrophobicContact CD2-CE 3.59Å; L124-K128 PolarHBondContact O-N 3.29Å
125	P	84.1	Confident	86.2	Confident	77 Å²	77	54.7 Å²	54.7	50%	0.5	27%	0.274	S	S	.	.	H	α-helix	trans	-63.9	-34.9	172.4	-25	36.7	0	0	0	113.4	Q121 D122 K128 E129	Q121-P125 WeakPolarHBondContact O-CD 3.31Å; Q121-P125 WeakPolarHBondContact O-CG 3.34Å; D122-P125 WeakPolarHBondContact O-CD 3.46Å; P125-K128 WeakPolarHBondContact O-CB 3.41Å; P125-K128 PolarHBondContact O-N 2.77Å; P125-K128 VanDerWaalsContact O-N 3.11Å; P125-E129 PolarHBondContact O-N 2.84Å
126	H	84.6	Confident	86.4	Confident	27 Å²	27	51.8 Å²	51.8	13%	0.125	27%	0.269	C	S	.	.	H	α-helix	trans	-54.1	-54.2	173.9	175.8	78.9	0	0	0	111.9	E58 H80 N83 D122 L124 K128 E129 E130	E58-H126 IonicContact OE1-CD2 2.76Å; E58-H126 IonicContact OE1-NE2 3.31Å; E58-H126 PolarHBondContact OE1-NE2 2.83Å; E58-H126 IonicContact OE2-NE2 2.76Å; H80-H126 AromaticContact CE1-CE1 3.38Å; H80-H126 PolarHBondContact CE1-CE1 2.7Å; H80-H126 AromaticContact CE1-NE2 3.66Å; H80-H126 AromaticContact ND1-CE1 3.18Å; H80-H126 PolarHBondContact ND1-CE1 3Å; H80-H126 AromaticContact ND1-NE2 3.49Å; H80-H126 PolarHBondContact ND1-NE2 2.87Å; N83-H126 PolarHBondContact ND2-CD2 3.47Å; N83-H126 PolarHBondContact ND2-CE1 3.03Å; N83-H126 PolarHBondContact ND2-ND1 3.31Å; N83-H126 PolarHBondContact ND2-NE2 2.83Å; D122-H126 WeakPolarHBondContact O-CB 3.29Å; D122-H126 PolarHBondContact O-N 3.16Å; L124-H126 VanDerWaalsContact C-N 3.32Å; H126-K128 PolarHBondContact O-N 3.27Å; H126-E129 WeakPolarHBondContact O-CB 3.4Å; H126-E129 PolarHBondContact O-N 3.09Å; H126-E129 VanDerWaalsContact O-N 3.1Å; H126-E130 IonicContact CD2-OE1 3.48Å; H126-E130 IonicContact CD2-OE2 3.15Å; H126-E130 IonicContact CE1-OE1 2.79Å; H126-E130 PolarHBondContact CE1-OE1 2.82Å; H126-E130 VanDerWaalsContact NE2-CD 3.31Å; H126-E130 IonicContact NE2-OE1 3.16Å; H126-E130 PolarHBondContact NE2-OE1 2.89Å; H126-E130 IonicContact NE2-OE2 3.95Å; H126-E130 PolarHBondContact O-N 2.87Å
127	M	87.6	Confident	86.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-30.9	175.4	-75.5	-174.3	-68.9	0	0	113.9	H15 M18 K19 F123 L124 E130 E131	H15-M127 HydrophobicContact CB-SD 3.93Å; H15-M127 PolarHBondContact CE1-O 2.74Å; H15-M127 PolarHBondContact ND1-O 2.95Å; M18-M127 HydrophobicContact CB-CE 4.2Å; M18-M127 HydrophobicContact CB-SD 3.5Å; M18-M127 WeakPolarHBondContact CB-SD 3.09Å; M18-M127 HydrophobicContact CG-SD 4.1Å; K19-M127 HydrophobicContact CG-CE 3.95Å; F123-M127 HydrophobicContact CD1-CE 3.94Å; F123-M127 HydrophobicContact CE1-CE 3.9Å; F123-M127 HydrophobicContact CE1-SD 4.3Å; F123-M127 HydrophobicContact CZ-SD 4.41Å; F123-M127 PolarHBondContact O-N 3.01Å; L124-M127 HydrophobicContact CD2-CE 3.59Å; M127-E130 VanDerWaalsContact CA-OE2 3.26Å; M127-E130 WeakPolarHBondContact CA-OE2 3.38Å; M127-E131 WeakPolarHBondContact O-CG 3.4Å; M127-E131 PolarHBondContact O-N 3.23Å
128	K	84.2	Confident	87	Confident	107 Å²	107	49.4 Å²	49.4	47%	0.465	26%	0.258	S	S	.	.	H	α-helix	trans	-72.9	-37.7	178	-170.5	-178.9	173.8	-169.2	0	111.5	L124 P125 H126 E130 E131 E132	L124-K128 PolarHBondContact O-N 3.29Å; P125-K128 WeakPolarHBondContact O-CB 3.41Å; P125-K128 PolarHBondContact O-N 2.77Å; P125-K128 VanDerWaalsContact O-N 3.11Å; H126-K128 PolarHBondContact O-N 3.27Å; K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E131 PolarHBondContact O-N 2.92Å; K128-E132 WeakPolarHBondContact CE-OE1 3.42Å; K128-E132 VanDerWaalsContact CE-OE2 3.29Å; K128-E132 WeakPolarHBondContact CE-OE2 3.49Å; K128-E132 HydrophobicContact CG-CG 4.34Å; K128-E132 IonicContact NZ-OE1 2.86Å; K128-E132 PolarHBondContact NZ-OE1 3.29Å; K128-E132 IonicContact NZ-OE2 2.8Å; K128-E132 WeakPolarHBondContact O-CB 3.36Å; K128-E132 WeakPolarHBondContact O-CG 3.16Å; K128-E132 PolarHBondContact O-N 3.38Å
129	E	87.6	Confident	87.5	Confident	108 Å²	108	50 Å²	50	51%	0.505	25%	0.254	S	S	.	.	H	α-helix	trans	-62.1	-41.7	174.4	-175.5	176.5	179.8	0	0	111.1	P125 H126 E131 E132 V133	P125-E129 PolarHBondContact O-N 2.84Å; H126-E129 WeakPolarHBondContact O-CB 3.4Å; H126-E129 PolarHBondContact O-N 3.09Å; H126-E129 VanDerWaalsContact O-N 3.1Å; E129-E131 PolarHBondContact O-N 3.49Å; E129-E132 PolarHBondContact O-N 3.01Å; E129-V133 HydrophobicContact CG-CB 4.35Å; E129-V133 HydrophobicContact CG-CG2 3.98Å; E129-V133 WeakPolarHBondContact O-CA 3.26Å; E129-V133 WeakPolarHBondContact O-CB 3.38Å; E129-V133 WeakPolarHBondContact O-CG2 3.32Å; E129-V133 PolarHBondContact O-N 2.97Å
130	E	89.1	Confident	87.6	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	28%	0.283	C	S	.	.	I	π-helix	trans	-59.5	-45.8	174.5	-74	162	161.3	0	0	112.4	F11 H15 H80 H126 M127 K128 F134 Q135	F11-E130 HydrophobicContact CD1-CB 3.91Å; F11-E130 HydrophobicContact CE1-CB 3.85Å; F11-E130 HydrophobicContact CE1-CG 4.16Å; F11-E130 WeakPolarHBondContact CE2-O 3.37Å; F11-E130 HydrophobicContact CG-CB 4.3Å; F11-E130 HydrophobicContact CZ-CB 4.16Å; H15-E130 IonicContact CE1-OE2 2.79Å; H15-E130 PolarHBondContact CE1-OE2 2.7Å; H15-E130 VanDerWaalsContact CE1-OE2 3.23Å; H15-E130 IonicContact NE2-OE2 2.7Å; H15-E130 PolarHBondContact NE2-OE2 3.19Å; H15-E130 VanDerWaalsContact NE2-OE2 3.16Å; H80-E130 IonicContact CE1-OE1 3.8Å; H80-E130 PolarHBondContact CE1-OE1 3.24Å; H80-E130 IonicContact ND1-OE1 3.8Å; H80-E130 IonicContact NE2-OE1 3.46Å; H126-E130 IonicContact CD2-OE1 3.48Å; H126-E130 IonicContact CD2-OE2 3.15Å; H126-E130 IonicContact CE1-OE1 2.79Å; H126-E130 PolarHBondContact CE1-OE1 2.82Å; H126-E130 VanDerWaalsContact NE2-CD 3.31Å; H126-E130 IonicContact NE2-OE1 3.16Å; H126-E130 PolarHBondContact NE2-OE1 2.89Å; H126-E130 IonicContact NE2-OE2 3.95Å; H126-E130 PolarHBondContact O-N 2.87Å; M127-E130 VanDerWaalsContact CA-OE2 3.26Å; M127-E130 WeakPolarHBondContact CA-OE2 3.38Å; K128-E130 VanDerWaalsContact C-N 3.33Å; E130-F134 HydrophobicContact CB-CD2 4.14Å; E130-F134 HydrophobicContact CG-CD2 3.72Å; E130-F134 HydrophobicContact CG-CE2 4.08Å; E130-F134 WeakPolarHBondContact O-CB 3.27Å; E130-F134 PolarHBondContact O-N 2.99Å; E130-F134 VanDerWaalsContact O-N 3.14Å; E130-Q135 PolarHBondContact O-N 3.15Å
131	E	88.4	Confident	87.9	Confident	46 Å²	46	58.7 Å²	58.7	22%	0.215	29%	0.291	C	S	.	.	I	π-helix	trans	-64.9	-41.2	177.1	-70.9	167.5	-160.1	0	0	112.6	F11 H15 K19 M127 K128 E129 Q135	F11-E131 HydrophobicContact CB-CG 4.09Å; H15-E131 WeakPolarHBondContact CB-OE1 3.41Å; H15-E131 IonicContact CE1-OE1 3.34Å; H15-E131 IonicContact CG-OE1 3.46Å; H15-E131 WeakPolarHBondContact ND1-CG 3.48Å; H15-E131 IonicContact ND1-OE1 3.35Å; H15-E131 PolarHBondContact ND1-OE1 2.91Å; K19-E131 IonicContact NZ-OE1 3Å; K19-E131 PolarHBondContact NZ-OE1 2.73Å; K19-E131 IonicContact NZ-OE2 3.95Å; M127-E131 WeakPolarHBondContact O-CG 3.4Å; M127-E131 PolarHBondContact O-N 3.23Å; K128-E131 PolarHBondContact O-N 2.92Å; E129-E131 PolarHBondContact O-N 3.49Å; E131-Q135 WeakPolarHBondContact O-CB 3.27Å
132	E	87.5	Confident	88.5	Confident	120 Å²	120	52.5 Å²	52.5	56%	0.561	26%	0.262	S	S	*	.	I	π-helix	trans	-92.5	-24	-171.8	-69.2	-176.1	167.1	0	0	114	K128 E129 P136	K128-E132 WeakPolarHBondContact CE-OE1 3.42Å; K128-E132 VanDerWaalsContact CE-OE2 3.29Å; K128-E132 WeakPolarHBondContact CE-OE2 3.49Å; K128-E132 HydrophobicContact CG-CG 4.34Å; K128-E132 IonicContact NZ-OE1 2.86Å; K128-E132 PolarHBondContact NZ-OE1 3.29Å; K128-E132 IonicContact NZ-OE2 2.8Å; K128-E132 WeakPolarHBondContact O-CB 3.36Å; K128-E132 WeakPolarHBondContact O-CG 3.16Å; K128-E132 PolarHBondContact O-N 3.38Å; E129-E132 PolarHBondContact O-N 3.01Å; E132-P136 WeakPolarHBondContact O-CG 3.46Å
133	V	88.8	Confident	89.1	Confident	64 Å²	64	52.1 Å²	52.1	39%	0.388	26%	0.263	S	S	.	.	I	π-helix	trans	-112.1	-54.2	-175.7	-175.4	0	0	0	0	111	E129 P136 M137	E129-V133 HydrophobicContact CG-CB 4.35Å; E129-V133 HydrophobicContact CG-CG2 3.98Å; E129-V133 WeakPolarHBondContact O-CA 3.26Å; E129-V133 WeakPolarHBondContact O-CB 3.38Å; E129-V133 WeakPolarHBondContact O-CG2 3.32Å; E129-V133 PolarHBondContact O-N 2.97Å; V133-P136 WeakPolarHBondContact O-CD 3.42Å; V133-P136 WeakPolarHBondContact O-CG 3.49Å; V133-M137 HydrophobicContact CG1-SD 4.23Å; V133-M137 WeakPolarHBondContact O-CG 3.36Å; V133-M137 PolarHBondContact O-N 3.17Å
134	F	90.4	Very high	89.4	Confident	13 Å²	13	55.8 Å²	55.8	6%	0.057	28%	0.277	C	S	.	.	I	π-helix	trans	-75.5	-35.7	-174.1	-62	-42.8	0	0	0	112.9	F11 I66 L69 V79 H80 E130 M137 L138	F11-F134 HydrophobicContact CE2-CB 3.87Å; F11-F134 HydrophobicContact CZ-CB 3.87Å; I66-F134 HydrophobicContact CD1-CD2 3.91Å; I66-F134 HydrophobicContact CD1-CE2 4.29Å; I66-F134 HydrophobicContact CD1-CG 4.19Å; L69-F134 HydrophobicContact CD2-CD1 4.22Å; V79-F134 HydrophobicContact CB-CZ 4.43Å; V79-F134 HydrophobicContact CG1-CE1 4.37Å; V79-F134 HydrophobicContact CG1-CE2 3.66Å; V79-F134 HydrophobicContact CG1-CZ 3.38Å; V79-F134 HydrophobicContact CG2-CZ 4.23Å; H80-F134 AromaticContact NE2-CE2 3.93Å; E130-F134 HydrophobicContact CB-CD2 4.14Å; E130-F134 HydrophobicContact CG-CD2 3.72Å; E130-F134 HydrophobicContact CG-CE2 4.08Å; E130-F134 WeakPolarHBondContact O-CB 3.27Å; E130-F134 PolarHBondContact O-N 2.99Å; E130-F134 VanDerWaalsContact O-N 3.14Å; F134-M137 HydrophobicContact CD1-SD 4.15Å; F134-M137 PolarHBondContact O-N 2.78Å; F134-L138 WeakPolarHBondContact O-CB 3.42Å; F134-L138 VanDerWaalsContact O-CG 3.26Å; F134-L138 WeakPolarHBondContact O-CG 3.47Å; F134-L138 PolarHBondContact O-N 2.81Å
135	Q	92	Very high	89.8	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-58	-48.3	174.7	-172.3	64.2	40.8	0	0	113.1	F4 V8 F11 E130 E131 L138 M139	F4-Q135 HydrophobicContact CB-CG 4.47Å; F4-Q135 HydrophobicContact CD2-CB 4.24Å; F4-Q135 HydrophobicContact CD2-CG 3.38Å; F4-Q135 HydrophobicContact CE2-CB 4.03Å; F4-Q135 HydrophobicContact CE2-CG 3.64Å; F4-Q135 HydrophobicContact CG-CG 3.89Å; F4-Q135 HydrophobicContact CZ-CG 4.34Å; V8-Q135 PolarHBondContact O-NE2 2.93Å; F11-Q135 HydrophobicContact CD2-CB 4.07Å; F11-Q135 HydrophobicContact CE2-CB 4.34Å; E130-Q135 PolarHBondContact O-N 3.15Å; E131-Q135 WeakPolarHBondContact O-CB 3.27Å; Q135-L138 WeakPolarHBondContact O-CB 3.11Å; Q135-L138 PolarHBondContact O-N 3.42Å; Q135-M139 WeakPolarHBondContact O-CG 3.29Å; Q135-M139 PolarHBondContact O-N 2.56Å; Q135-M139 VanDerWaalsContact O-N 3.11Å
136	P	90.8	Very high	90.3	Very high	50 Å²	50	57 Å²	57	33%	0.325	27%	0.274	S	S	.	.	H	α-helix	trans	-65.9	-34.3	173.4	11.5	-18.6	0	0	0	113.8	F4 E132 V133 M139 Q140	F4-P136 HydrophobicContact CE1-CB 4.44Å; F4-P136 HydrophobicContact CZ-CB 3.94Å; F4-P136 HydrophobicContact CZ-CG 4.01Å; E132-P136 WeakPolarHBondContact O-CG 3.46Å; V133-P136 WeakPolarHBondContact O-CD 3.42Å; V133-P136 WeakPolarHBondContact O-CG 3.49Å; P136-M139 PolarHBondContact O-N 2.78Å; P136-Q140 PolarHBondContact O-N 3.26Å; P136-Q140 VanDerWaalsContact O-N 3.11Å
137	M	90.3	Very high	90.8	Very high	38 Å²	38	55.8 Å²	55.8	19%	0.187	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-43.6	173.3	-73	-175.8	69.7	0	0	111.9	L69 V76 V133 F134 M139 Q140 Y141	L69-M137 HydrophobicContact CD1-CB 4.42Å; L69-M137 HydrophobicContact CD2-CB 4.24Å; V76-M137 HydrophobicContact CG2-CE 3.64Å; V133-M137 HydrophobicContact CG1-SD 4.23Å; V133-M137 WeakPolarHBondContact O-CG 3.36Å; V133-M137 PolarHBondContact O-N 3.17Å; F134-M137 HydrophobicContact CD1-SD 4.15Å; F134-M137 PolarHBondContact O-N 2.78Å; M137-M139 PolarHBondContact O-N 3.19Å; M137-Q140 WeakPolarHBondContact O-CB 3.49Å; M137-Q140 PolarHBondContact O-N 3.15Å; M137-Y141 HydrophobicContact CE-CE2 4.29Å; M137-Y141 VanDerWaalsContact O-CD2 3.22Å; M137-Y141 WeakPolarHBondContact O-CD2 3.32Å; M137-Y141 PolarHBondContact O-N 3.11Å
138	L	92.1	Very high	90.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56.8	-40.2	174.3	-75	170.7	0	0	0	110.9	V10 F11 I65 L69 F134 Q135 Q140 Y141 F142 L147	V10-L138 HydrophobicContact CG2-CD1 3.52Å; F11-L138 HydrophobicContact CE2-CD1 3.74Å; F11-L138 HydrophobicContact CZ-CD1 4.21Å; I65-L138 HydrophobicContact CG2-CD1 3.64Å; I65-L138 HydrophobicContact CG2-CD2 4.01Å; I65-L138 HydrophobicContact CG2-CG 4.35Å; L69-L138 HydrophobicContact CB-CD2 4.18Å; L69-L138 HydrophobicContact CD1-CD2 4.26Å; L69-L138 HydrophobicContact CD2-CD2 4.31Å; L69-L138 HydrophobicContact CD2-CG 4.46Å; L69-L138 HydrophobicContact CG-CD2 4.49Å; F134-L138 WeakPolarHBondContact O-CB 3.42Å; F134-L138 VanDerWaalsContact O-CG 3.26Å; F134-L138 WeakPolarHBondContact O-CG 3.47Å; F134-L138 PolarHBondContact O-N 2.81Å; Q135-L138 WeakPolarHBondContact O-CB 3.11Å; Q135-L138 PolarHBondContact O-N 3.42Å; L138-Q140 PolarHBondContact O-N 2.85Å; L138-Y141 PolarHBondContact O-N 3.48Å; L138-F142 HydrophobicContact CD2-CD2 3.79Å; L138-F142 HydrophobicContact CD2-CE2 3.67Å; L138-F142 WeakPolarHBondContact O-CB 3.4Å; L138-F142 PolarHBondContact O-N 2.98Å; L138-L147 HydrophobicContact CB-CD1 4.26Å; L138-L147 HydrophobicContact CB-CD2 3.91Å; L138-L147 HydrophobicContact CD2-CD2 4.31Å
139	M	91.2	Very high	91.2	Very high	57 Å²	57	56.3 Å²	56.3	28%	0.281	27%	0.274	S	S	.	.	H	α-helix	trans	-68.7	-21.5	176.6	-68.4	-86.9	36	0	0	114.5	F4 V8 Q135 P136 M137 Y144 L147	F4-M139 HydrophobicContact CD1-CG 4.42Å; V8-M139 HydrophobicContact CB-SD 4.4Å; V8-M139 HydrophobicContact CG2-SD 3.82Å; Q135-M139 WeakPolarHBondContact O-CG 3.29Å; Q135-M139 PolarHBondContact O-N 2.56Å; Q135-M139 VanDerWaalsContact O-N 3.11Å; P136-M139 PolarHBondContact O-N 2.78Å; M137-M139 PolarHBondContact O-N 3.19Å; M139-Y144 HydrophobicContact CE-CD2 4.26Å; M139-L147 HydrophobicContact CE-CD1 3.38Å; M139-L147 HydrophobicContact CE-CG 4.45Å; M139-L147 HydrophobicContact CG-CD1 3.94Å; M139-L147 HydrophobicContact SD-CD1 3.66Å
140	Q	91.9	Very high	91.5	Very high	142 Å²	142	51.7 Å²	51.7	66%	0.664	25%	0.253	S	S	*	.	H	α-helix	trans	-82.7	-37.3	174.5	-173.6	179.9	3.7	0	0	112.6	P136 M137 L138	P136-Q140 PolarHBondContact O-N 3.26Å; P136-Q140 VanDerWaalsContact O-N 3.11Å; M137-Q140 WeakPolarHBondContact O-CB 3.49Å; M137-Q140 PolarHBondContact O-N 3.15Å; L138-Q140 PolarHBondContact O-N 2.85Å
141	Y	91.9	Very high	91.6	Very high	75 Å²	75	53.8 Å²	53.8	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-103.1	-10.2	-170.7	-68.8	-77.4	0	0	0	114.9	L69 R72 C73 M137 L138	L69-Y141 HydrophobicContact CD1-CD2 3.93Å; L69-Y141 HydrophobicContact CD1-CG 4.32Å; R72-Y141 HydrophobicContact CB-CD1 4.47Å; R72-Y141 VanDerWaalsContact CD-O 3.28Å; R72-Y141 WeakPolarHBondContact CD-O 3.43Å; R72-Y141 PolarHBondContact NH1-O 3.19Å; C73-Y141 HydrophobicContact CB-CD1 4.28Å; C73-Y141 HydrophobicContact CB-CD2 4.12Å; C73-Y141 HydrophobicContact CB-CE1 3.94Å; C73-Y141 HydrophobicContact CB-CE2 3.82Å; C73-Y141 HydrophobicContact CB-CG 4.38Å; M137-Y141 HydrophobicContact CE-CE2 4.29Å; M137-Y141 VanDerWaalsContact O-CD2 3.22Å; M137-Y141 WeakPolarHBondContact O-CD2 3.32Å; M137-Y141 PolarHBondContact O-N 3.11Å; L138-Y141 PolarHBondContact O-N 3.48Å
142	F	94.1	Very high	91.5	Very high	15 Å²	15	57.7 Å²	57.7	7%	0.066	28%	0.279	C	S	.	.	S	Bend	trans	-124.4	146.1	177.7	-64.7	-94.1	0	0	0	111.2	L68 L69 R72 L138 E146 L147 I150	L68-F142 HydrophobicContact CB-CE1 4.21Å; L68-F142 HydrophobicContact CB-CZ 3.8Å; L69-F142 HydrophobicContact CB-CE2 4.3Å; L69-F142 HydrophobicContact CD1-CE2 4.02Å; R72-F142 HydrophobicContact CG-CZ 4.4Å; L138-F142 HydrophobicContact CD2-CD2 3.79Å; L138-F142 HydrophobicContact CD2-CE2 3.67Å; L138-F142 WeakPolarHBondContact O-CB 3.4Å; L138-F142 PolarHBondContact O-N 2.98Å; F142-E146 HydrophobicContact CB-CB 4.29Å; F142-E146 HydrophobicContact CD1-CB 4.25Å; F142-L147 HydrophobicContact CB-CD2 3.52Å; F142-L147 HydrophobicContact CB-CG 3.74Å; F142-L147 HydrophobicContact CD2-CD2 4.17Å; F142-L147 HydrophobicContact CG-CD2 3.9Å; F142-I150 HydrophobicContact CD1-CD1 3.68Å; F142-I150 HydrophobicContact CE1-CD1 3.79Å; F142-I150 HydrophobicContact CG-CD1 4.22Å; F142-I150 HydrophobicContact CZ-CD1 4.41Å
143	T	94.6	Very high	91.5	Very high	82 Å²	82	56.4 Å²	56.4	50%	0.503	27%	0.273	S	S	.	.			trans	-71	159.6	171	64.3	0	0	0	0	110.6	E145 E146 L147	T143-E145 VanDerWaalsContact C-N 3.29Å; T143-E145 PolarHBondContact O-N 2.68Å; T143-E146 PolarHBondContact N-OE2 3.47Å; T143-E146 PolarHBondContact O-N 3.01Å; T143-E146 WeakPolarHBondContact OG1-CB 3.37Å; T143-E146 VanDerWaalsContact OG1-CD 3.31Å; T143-E146 WeakPolarHBondContact OG1-CG 3.39Å; T143-E146 PolarHBondContact OG1-N 3.42Å; T143-E146 PolarHBondContact OG1-OE2 3.12Å; T143-L147 PolarHBondContact O-N 3.27Å
144	Y	92.1	Very high	91.6	Very high	80 Å²	80	53.4 Å²	53.4	31%	0.314	26%	0.255	S	S	.	.	H	α-helix	trans	-57.4	-40	-179.5	-160.9	-100.9	0	0	0	113.2	P5 E7 V8 M139 L147 K148	P5-Y144 VanDerWaalsContact CB-OH 3.29Å; P5-Y144 WeakPolarHBondContact CB-OH 3.3Å; P5-Y144 HydrophobicContact CG-CE2 4.23Å; E7-Y144 HydrophobicContact CG-CE1 4.03Å; E7-Y144 WeakPolarHBondContact CG-OH 3.14Å; E7-Y144 WeakPolarHBondContact OE1-CE1 3.43Å; E7-Y144 VanDerWaalsContact OE1-CZ 3.23Å; E7-Y144 PolarHBondContact OE1-OH 2.7Å; V8-Y144 HydrophobicContact CB-CE2 4.25Å; V8-Y144 HydrophobicContact CG1-CD1 4.12Å; V8-Y144 HydrophobicContact CG1-CD2 3.65Å; V8-Y144 HydrophobicContact CG1-CE1 4.02Å; V8-Y144 HydrophobicContact CG1-CE2 3.5Å; V8-Y144 HydrophobicContact CG1-CG 3.95Å; V8-Y144 HydrophobicContact CG2-CD2 4.34Å; V8-Y144 HydrophobicContact CG2-CE2 3.71Å; M139-Y144 HydrophobicContact CE-CD2 4.26Å; Y144-L147 PolarHBondContact O-N 2.82Å; Y144-K148 HydrophobicContact CD1-CD 4.33Å; Y144-K148 HydrophobicContact CE1-CD 4.41Å; Y144-K148 WeakPolarHBondContact O-CG 3.49Å; Y144-K148 PolarHBondContact O-N 3.45Å; Y144-K148 VanDerWaalsContact O-N 3.12Å
145	E	92.1	Very high	91.3	Very high	108 Å²	108	55.6 Å²	55.6	51%	0.505	27%	0.266	S	S	.	.	H	α-helix	trans	-73	-35.6	177.9	-66.7	-58	137.1	0	0	112.5	T143 L147 K148 D149	T143-E145 VanDerWaalsContact C-N 3.29Å; T143-E145 PolarHBondContact O-N 2.68Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-L147 PolarHBondContact O-N 2.62Å; E145-K148 WeakPolarHBondContact O-CB 3.34Å; E145-K148 PolarHBondContact O-N 3.37Å; E145-K148 IonicContact OE1-NZ 3.75Å; E145-K148 PolarHBondContact OE1-NZ 2.82Å; E145-D149 PolarHBondContact O-N 3.43Å; E145-D149 VanDerWaalsContact O-N 3.12Å
146	E	94.8	Very high	91	Very high	64 Å²	64	57.8 Å²	57.8	30%	0.299	29%	0.285	S	S	.	.	H	α-helix	trans	-62.2	-42.1	172.4	-73.5	171.7	135.4	0	0	111.5	R72 F142 T143 D149 I150	R72-E146 IonicContact CZ-OE1 2.72Å; R72-E146 IonicContact CZ-OE2 3.37Å; R72-E146 IonicContact NH1-OE1 2.95Å; R72-E146 PolarHBondContact NH1-OE1 2.89Å; R72-E146 IonicContact NH1-OE2 2.77Å; R72-E146 PolarHBondContact NH1-OE2 3.28Å; R72-E146 IonicContact NH2-OE1 3.53Å; R72-E146 PolarHBondContact NH2-OE1 3.02Å; R72-E146 IonicContact NH2-OE2 3.93Å; F142-E146 HydrophobicContact CB-CB 4.29Å; F142-E146 HydrophobicContact CD1-CB 4.25Å; T143-E146 PolarHBondContact N-OE2 3.47Å; T143-E146 PolarHBondContact O-N 3.01Å; T143-E146 WeakPolarHBondContact OG1-CB 3.37Å; T143-E146 VanDerWaalsContact OG1-CD 3.31Å; T143-E146 WeakPolarHBondContact OG1-CG 3.39Å; T143-E146 PolarHBondContact OG1-N 3.42Å; T143-E146 PolarHBondContact OG1-OE2 3.12Å; E146-D149 PolarHBondContact O-N 3.12Å; E146-I150 VanDerWaalsContact O-CG1 3.31Å; E146-I150 WeakPolarHBondContact O-CG1 3.06Å; E146-I150 PolarHBondContact O-N 3.38Å
147	L	94.4	Very high	90.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-34.8	176.6	-71.5	-167.9	0	0	0	113.2	V8 L138 M139 F142 T143 Y144 E145 D149 I150 K151	V8-L147 HydrophobicContact CB-CB 3.95Å; V8-L147 HydrophobicContact CB-CD1 4.24Å; V8-L147 HydrophobicContact CG1-CB 3.91Å; L138-L147 HydrophobicContact CB-CD1 4.26Å; L138-L147 HydrophobicContact CB-CD2 3.91Å; L138-L147 HydrophobicContact CD2-CD2 4.31Å; M139-L147 HydrophobicContact CE-CD1 3.38Å; M139-L147 HydrophobicContact CE-CG 4.45Å; M139-L147 HydrophobicContact CG-CD1 3.94Å; M139-L147 HydrophobicContact SD-CD1 3.66Å; F142-L147 HydrophobicContact CB-CD2 3.52Å; F142-L147 HydrophobicContact CB-CG 3.74Å; F142-L147 HydrophobicContact CD2-CD2 4.17Å; F142-L147 HydrophobicContact CG-CD2 3.9Å; T143-L147 PolarHBondContact O-N 3.27Å; Y144-L147 PolarHBondContact O-N 2.82Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-L147 PolarHBondContact O-N 2.62Å; L147-D149 VanDerWaalsContact C-N 3.28Å; L147-D149 PolarHBondContact O-N 3.48Å; L147-I150 HydrophobicContact CD2-CD1 4.03Å; L147-I150 PolarHBondContact O-N 3Å; L147-K151 WeakPolarHBondContact O-CB 3.34Å; L147-K151 PolarHBondContact O-N 2.81Å
148	K	89.6	Confident	90.4	Very high	38 Å²	38	57.6 Å²	57.6	17%	0.165	28%	0.279	C	S	.	.	H	α-helix	trans	-59.6	-42.4	171.3	-77.6	175.6	173.3	178.6	0	111.6	E7 V8 Y144 E145 K151 K152	E7-K148 IonicContact OE1-NZ 3.87Å; E7-K148 WeakPolarHBondContact OE2-CE 3.47Å; E7-K148 IonicContact OE2-NZ 2.81Å; E7-K148 PolarHBondContact OE2-NZ 2.96Å; V8-K148 HydrophobicContact CG1-CG 3.98Å; Y144-K148 HydrophobicContact CD1-CD 4.33Å; Y144-K148 HydrophobicContact CE1-CD 4.41Å; Y144-K148 WeakPolarHBondContact O-CG 3.49Å; Y144-K148 PolarHBondContact O-N 3.45Å; Y144-K148 VanDerWaalsContact O-N 3.12Å; E145-K148 WeakPolarHBondContact O-CB 3.34Å; E145-K148 PolarHBondContact O-N 3.37Å; E145-K148 IonicContact OE1-NZ 3.75Å; E145-K148 PolarHBondContact OE1-NZ 2.82Å; K148-K151 PolarHBondContact O-N 2.96Å; K148-K152 VanDerWaalsContact O-CG 3.3Å; K148-K152 WeakPolarHBondContact O-CG 3.49Å; K148-K152 PolarHBondContact O-N 3.22Å
149	D	91.9	Very high	89.5	Confident	80 Å²	80	60.7 Å²	60.7	43%	0.428	30%	0.299	S	S	.	.	H	α-helix	trans	-72.2	-38.9	-180	-73.1	-18.1	0	0	0	112	E145 E146 L147 K152 Q153	E145-D149 PolarHBondContact O-N 3.43Å; E145-D149 VanDerWaalsContact O-N 3.12Å; E146-D149 PolarHBondContact O-N 3.12Å; L147-D149 VanDerWaalsContact C-N 3.28Å; L147-D149 PolarHBondContact O-N 3.48Å; D149-K152 PolarHBondContact O-N 2.88Å; D149-K152 IonicContact OD1-NZ 2.78Å; D149-K152 PolarHBondContact OD1-NZ 2.8Å; D149-Q153 WeakPolarHBondContact O-CG 3.38Å; D149-Q153 PolarHBondContact O-N 2.85Å
150	I	93.3	Very high	88.1	Confident	11 Å²	11	64.2 Å²	64.2	6%	0.056	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-48.5	170.5	-69	163.4	0	0	0	110.1	V10 I65 L68 F142 E146 L147 K152 Q153 V154	V10-I150 HydrophobicContact CG1-CG2 4.05Å; I65-I150 HydrophobicContact CG1-CG2 4.24Å; L68-I150 HydrophobicContact CD1-CD1 4.09Å; L68-I150 HydrophobicContact CD1-CG1 4.05Å; F142-I150 HydrophobicContact CD1-CD1 3.68Å; F142-I150 HydrophobicContact CE1-CD1 3.79Å; F142-I150 HydrophobicContact CG-CD1 4.22Å; F142-I150 HydrophobicContact CZ-CD1 4.41Å; E146-I150 VanDerWaalsContact O-CG1 3.31Å; E146-I150 WeakPolarHBondContact O-CG1 3.06Å; E146-I150 PolarHBondContact O-N 3.38Å; L147-I150 HydrophobicContact CD2-CD1 4.03Å; L147-I150 PolarHBondContact O-N 3Å; I150-K152 VanDerWaalsContact C-N 3.34Å; I150-K152 PolarHBondContact O-N 3.37Å; I150-Q153 PolarHBondContact O-N 3.2Å; I150-Q153 VanDerWaalsContact O-N 3.11Å; I150-V154 HydrophobicContact CG2-CG2 4.19Å; I150-V154 VanDerWaalsContact O-CG2 3.32Å; I150-V154 WeakPolarHBondContact O-CG2 3.35Å; I150-V154 PolarHBondContact O-N 3.43Å
151	K	90.7	Very high	86.3	Confident	45 Å²	45	65 Å²	65	20%	0.196	32%	0.323	C	S	.	.	H	α-helix	trans	-56.2	-47.1	175.9	-176.7	-179.5	176.1	125	0	111.6	D6 E7 D9 V10 L147 K148 Q153 V154 I155	D6-K151 WeakPolarHBondContact O-CE 3.42Å; D6-K151 PolarHBondContact O-NZ 2.8Å; E7-K151 WeakPolarHBondContact O-CD 3.33Å; D9-K151 VanDerWaalsContact O-CD 3.26Å; D9-K151 WeakPolarHBondContact O-CD 3.4Å; D9-K151 WeakPolarHBondContact O-CE 3.38Å; D9-K151 PolarHBondContact O-NZ 3.23Å; V10-K151 HydrophobicContact CG1-CB 3.94Å; L147-K151 WeakPolarHBondContact O-CB 3.34Å; L147-K151 PolarHBondContact O-N 2.81Å; K148-K151 PolarHBondContact O-N 2.96Å; K151-Q153 VanDerWaalsContact C-N 3.28Å; K151-Q153 PolarHBondContact O-N 3.48Å; K151-V154 PolarHBondContact O-N 3.11Å; K151-I155 HydrophobicContact CG-CG1 4.05Å; K151-I155 WeakPolarHBondContact O-CB 3.3Å; K151-I155 VanDerWaalsContact O-CG1 3.24Å; K151-I155 WeakPolarHBondContact O-CG1 3.31Å; K151-I155 PolarHBondContact O-N 3.21Å
152	K	86.3	Confident	84.3	Confident	128 Å²	128	64.8 Å²	64.8	56%	0.557	33%	0.325	S	S	*	.	H	α-helix	trans	-58.2	-41.8	177.8	-73.3	170.7	-159.2	154.8	0	111.5	K148 D149 I150 A156	K148-K152 VanDerWaalsContact O-CG 3.3Å; K148-K152 WeakPolarHBondContact O-CG 3.49Å; K148-K152 PolarHBondContact O-N 3.22Å; D149-K152 PolarHBondContact O-N 2.88Å; D149-K152 IonicContact OD1-NZ 2.78Å; D149-K152 PolarHBondContact OD1-NZ 2.8Å; I150-K152 VanDerWaalsContact C-N 3.34Å; I150-K152 PolarHBondContact O-N 3.37Å; K152-A156 WeakPolarHBondContact O-CB 2.98Å; K152-A156 PolarHBondContact O-N 2.87Å
153	Q	89.3	Confident	81.7	Confident	94 Å²	94	72 Å²	72	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-66.4	-47.6	177.6	-70.5	179.2	-5.6	0	0	111.7	Y64 D149 I150 K151 I155 A156 Q157	Y64-Q153 HydrophobicContact CD1-CB 4.14Å; D149-Q153 WeakPolarHBondContact O-CG 3.38Å; D149-Q153 PolarHBondContact O-N 2.85Å; I150-Q153 PolarHBondContact O-N 3.2Å; I150-Q153 VanDerWaalsContact O-N 3.11Å; K151-Q153 VanDerWaalsContact C-N 3.28Å; K151-Q153 PolarHBondContact O-N 3.48Å; Q153-I155 PolarHBondContact O-N 2.91Å; Q153-A156 WeakPolarHBondContact O-CB 3.28Å; Q153-A156 PolarHBondContact O-N 3.11Å; Q153-Q157 WeakPolarHBondContact O-CG 3.17Å; Q153-Q157 PolarHBondContact O-N 3.15Å
154	V	90.3	Very high	78.8	Confident	1 Å²	1	74 Å²	74	1%	0.006	37%	0.373	C	S	.	.	H	α-helix	trans	-58.8	-50.4	178.2	170.9	0	0	0	0	110.9	P14 I60 I65 I150 K151 A156 Q157 H158	P14-V154 HydrophobicContact CG-CG1 3.99Å; I60-V154 HydrophobicContact CG2-CG1 4.2Å; I60-V154 HydrophobicContact CG2-CG2 4.49Å; I65-V154 HydrophobicContact CD1-CG1 4.36Å; I65-V154 HydrophobicContact CD1-CG2 3.78Å; I65-V154 HydrophobicContact CG1-CG2 3.62Å; I150-V154 HydrophobicContact CG2-CG2 4.19Å; I150-V154 VanDerWaalsContact O-CG2 3.32Å; I150-V154 WeakPolarHBondContact O-CG2 3.35Å; I150-V154 PolarHBondContact O-N 3.43Å; K151-V154 PolarHBondContact O-N 3.11Å; V154-A156 VanDerWaalsContact C-N 3.33Å; V154-A156 PolarHBondContact O-N 2.97Å; V154-Q157 PolarHBondContact O-N 2.83Å; V154-H158 PolarHBondContact O-CD2 3.31Å; V154-H158 VanDerWaalsContact O-CD2 3.29Å; V154-H158 PolarHBondContact O-N 3.35Å
155	I	84.7	Confident	76	Confident	59 Å²	59	76.7 Å²	76.7	30%	0.303	39%	0.393	S	S	.	.	H	α-helix	trans	-62.6	-41.6	178	-64	-62.3	0	0	0	110.9	P14 K151 Q153 Q157 H158 C159	P14-I155 HydrophobicContact CG-CD1 4.46Å; K151-I155 HydrophobicContact CG-CG1 4.05Å; K151-I155 WeakPolarHBondContact O-CB 3.3Å; K151-I155 VanDerWaalsContact O-CG1 3.24Å; K151-I155 WeakPolarHBondContact O-CG1 3.31Å; K151-I155 PolarHBondContact O-N 3.21Å; Q153-I155 PolarHBondContact O-N 2.91Å; I155-Q157 PolarHBondContact O-N 2.72Å; I155-H158 PolarHBondContact O-N 3.43Å; I155-C159 WeakPolarHBondContact O-CB 3.28Å; I155-C159 PolarHBondContact O-N 2.66Å; I155-C159 PolarHBondContact O-SG 3.2Å
156	A	83.8	Confident	73.6	Confident	47 Å²	47	73.9 Å²	73.9	39%	0.388	39%	0.385	S	S	.	.	H	α-helix	trans	-58.6	-46.9	175.7	0	0	0	0	0	111.2	K152 Q153 V154 H158 C159 N160	K152-A156 WeakPolarHBondContact O-CB 2.98Å; K152-A156 PolarHBondContact O-N 2.87Å; Q153-A156 WeakPolarHBondContact O-CB 3.28Å; Q153-A156 PolarHBondContact O-N 3.11Å; V154-A156 VanDerWaalsContact C-N 3.33Å; V154-A156 PolarHBondContact O-N 2.97Å; A156-H158 PolarHBondContact O-N 2.93Å; A156-C159 PolarHBondContact O-N 3.08Å; A156-N160 WeakPolarHBondContact O-CB 3.5Å; A156-N160 PolarHBondContact O-N 3.12Å
157	Q	85.1	Confident	71	Confident	66 Å²	66	74.6 Å²	74.6	31%	0.308	40%	0.401	S	S	.	.	H	α-helix	trans	-63.8	-38.6	179.1	-64	-55.6	-28.7	0	0	112.8	I60 Y64 Q153 V154 I155 C159	I60-Q157 HydrophobicContact CD1-CB 3.64Å; I60-Q157 HydrophobicContact CG1-CB 3.8Å; I60-Q157 HydrophobicContact CG2-CB 4.04Å; Y64-Q157 HydrophobicContact CD2-CG 4.29Å; Y64-Q157 HydrophobicContact CE1-CG 4.42Å; Y64-Q157 HydrophobicContact CE2-CG 3.86Å; Q153-Q157 WeakPolarHBondContact O-CG 3.17Å; Q153-Q157 PolarHBondContact O-N 3.15Å; V154-Q157 PolarHBondContact O-N 2.83Å; I155-Q157 PolarHBondContact O-N 2.72Å; Q157-C159 VanDerWaalsContact C-N 3.33Å; Q157-C159 PolarHBondContact O-N 3.14Å
158	H	83.9	Confident	68.4	Low	17 Å²	17	77.6 Å²	77.6	8%	0.079	43%	0.427	C	S	.	.	H	α-helix	trans	-67.7	-30.4	174.8	-83.8	-75.1	0	0	0	113.5	H57 V154 I155 A156	H57-H158 AromaticContact CG-CE1 3.74Å; H57-H158 AromaticContact ND1-CE1 3.19Å; H57-H158 PolarHBondContact ND1-CE1 3.26Å; H57-H158 AromaticContact ND1-NE2 3.32Å; H57-H158 PolarHBondContact ND1-NE2 3.33Å; V154-H158 PolarHBondContact O-CD2 3.31Å; V154-H158 VanDerWaalsContact O-CD2 3.29Å; V154-H158 PolarHBondContact O-N 3.35Å; I155-H158 PolarHBondContact O-N 3.43Å; A156-H158 PolarHBondContact O-N 2.93Å
159	C	74.5	Confident	66.3	Low	65 Å²	65	81.8 Å²	81.8	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-93.8	-26.3	-177.8	-66.1	0	0	0	0	114.6	I155 A156 Q157 Q161 Q162	I155-C159 WeakPolarHBondContact O-CB 3.28Å; I155-C159 PolarHBondContact O-N 2.66Å; I155-C159 PolarHBondContact O-SG 3.2Å; A156-C159 PolarHBondContact O-N 3.08Å; Q157-C159 VanDerWaalsContact C-N 3.33Å; Q157-C159 PolarHBondContact O-N 3.14Å; C159-Q161 PolarHBondContact O-N 3.08Å; C159-Q161 VanDerWaalsContact O-N 3.1Å; C159-Q162 PolarHBondContact O-N 3.24Å; C159-Q162 VanDerWaalsContact O-N 3.13Å
160	N	61.2	Low	64	Low	132 Å²	132	81.3 Å²	81.3	71%	0.706	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.2	-171.3	-148.8	7.3	0	0	0	114.1	A156	A156-N160 WeakPolarHBondContact O-CB 3.5Å; A156-N160 PolarHBondContact O-N 3.12Å
161	Q	53.2	Low	61.6	Low	158 Å²	158	87.2 Å²	87.2	74%	0.738	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	1.5	175.4	-65.1	-165.7	0.6	0	0	114	C159	C159-Q161 PolarHBondContact O-N 3.08Å; C159-Q161 VanDerWaalsContact O-N 3.1Å
162	Q	50.8	Low	59.3	Low	70 Å²	70	92.4 Å²	92.4	33%	0.327	50%	0.5	S	S	.	.	S	Bend	trans	-99.8	141	174.9	-67.4	-173.1	-2.5	0	0	110.7	E53 C159	E53-Q162 PolarHBondContact OE1-NE2 2.75Å; C159-Q162 PolarHBondContact O-N 3.24Å; C159-Q162 VanDerWaalsContact O-N 3.13Å
163	Q	38.4	Very low	57.2	Low	167 Å²	167	87.5 Å²	87.5	78%	0.78	49%	0.486	S	S	*	.			trans	-55.7	154.8	174.7	-77.8	-162.7	-3.9	0	0	112.1	D165	Q163-D165 PolarHBondContact O-N 2.92Å
164	P	33.6	Very low	54.7	Low	123 Å²	123	89.8 Å²	89.8	80%	0.799	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	12.9	-162.3	-18.8	32.7	0	0	0	118.4
165	D	34.5	Very low	52.2	Low	138 Å²	138	94.2 Å²	94.2	74%	0.738	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-6.8	-173.2	-72.5	-28.7	0	0	0	114.9	Q163	Q163-D165 PolarHBondContact O-N 2.92Å
166	C	41.8	Very low	50.2	Low	49 Å²	49	97.1 Å²	97.1	33%	0.331	54%	0.541	S	S	.	.			trans	-98.4	-2.1	-172.6	-78.2	0	0	0	0	116.5	A168 E169	C166-A168 PolarHBondContact O-N 2.98Å; C166-E169 PolarHBondContact O-N 3Å
167	A	39.6	Very low	48.2	Very low	78 Å²	78	103.1 Å²	103.1	65%	0.645	55%	0.554	S	S	*	*	H	α-helix	trans	-65	-25	177.4	0	0	0	0	0	112.6
168	A	40	Very low	46.1	Very low	64 Å²	64	105.8 Å²	105.8	53%	0.529	58%	0.575	S	S	.	*	H	α-helix	trans	-83.5	-19.4	178.3	0	0	0	0	0	114	C166 K172	C166-A168 PolarHBondContact O-N 2.98Å; A168-K172 PolarHBondContact O-N 3.02Å
169	E	44.8	Very low	43.9	Very low	126 Å²	126	111.7 Å²	111.7	59%	0.589	60%	0.602	S	S	*	*	H	α-helix	trans	-85.6	-33.5	-179	-69.5	-166.7	155.6	0	0	112.5	C166 L171 K172 G173	C166-E169 PolarHBondContact O-N 3Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.16Å; E169-K172 PolarHBondContact O-N 3.44Å; E169-G173 PolarHBondContact O-N 3.16Å
170	V	44.9	Very low	42.4	Very low	70 Å²	70	111.5 Å²	111.5	42%	0.424	61%	0.605	S	S	.	*	H	α-helix	trans	-65.3	-33.5	176.3	179.2	0	0	0	0	111.5
171	L	43.3	Very low	41.5	Very low	135 Å²	135	110.8 Å²	110.8	71%	0.707	60%	0.598	S	S	*	*	H	α-helix	trans	-80.6	-22.8	174.8	-73.5	167.8	0	0	0	113.6	E169 G173	E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.16Å; L171-G173 VanDerWaalsContact C-N 3.33Å
172	K	41.6	Very low	40.9	Very low	153 Å²	153	110.3 Å²	110.3	67%	0.665	60%	0.595	S	S	*	*	H	α-helix	trans	-78.9	-14.5	174	-86.7	179.7	176.8	176.3	0	113.7	A168 E169 F174 S175	A168-K172 PolarHBondContact O-N 3.02Å; E169-K172 PolarHBondContact O-N 3.44Å; K172-F174 PolarHBondContact O-N 3.21Å; K172-S175 PolarHBondContact O-N 3.32Å; K172-S175 PolarHBondContact O-OG 3.13Å
173	G	41.2	Very low	40.4	Very low	25 Å²	25	112.7 Å²	112.7	26%	0.258	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-64.2	-15.8	175.9	0	0	0	0	0	114.8	E169 L171 S175	E169-G173 PolarHBondContact O-N 3.16Å; L171-G173 VanDerWaalsContact C-N 3.33Å; G173-S175 VanDerWaalsContact C-N 3.32Å; G173-S175 PolarHBondContact O-N 2.84Å
174	F	38.1	Very low	40.6	Very low	143 Å²	143	112.2 Å²	112.2	63%	0.627	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-74.4	-13.5	-179.8	-84.6	-86.9	0	0	0	114.7	K172	K172-F174 PolarHBondContact O-N 3.21Å
175	S	38.1	Very low	40.9	Very low	93 Å²	93	114.6 Å²	114.6	65%	0.65	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-106.3	5.3	-176.6	70.3	0	0	0	0	115.7	K172 G173	K172-S175 PolarHBondContact O-N 3.32Å; K172-S175 PolarHBondContact O-OG 3.13Å; G173-S175 VanDerWaalsContact C-N 3.32Å; G173-S175 PolarHBondContact O-N 2.84Å
176	L	41.3	Very low	41	Very low	120 Å²	120	111 Å²	111	63%	0.628	60%	0.595	S	S	*	*			trans	-124.3	29.1	-176.1	-76	167.7	0	0	0	113.4	T178	L176-T178 VanDerWaalsContact C-N 3.3Å; L176-T178 PolarHBondContact O-N 2.94Å
177	W	41.7	Very low	40.6	Very low	174 Å²	174	117.5 Å²	117.5	66%	0.659	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	25	178.5	-143.6	73.1	0	0	0	114.3
178	T	40.8	Very low	40.5	Very low	122 Å²	122	122.4 Å²	122.4	75%	0.748	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	-2.5	177	9.4	0	0	0	0	114.2	L176	L176-T178 VanDerWaalsContact C-N 3.3Å; L176-T178 PolarHBondContact O-N 2.94Å
179	Q	38.1	Very low	40.3	Very low	140 Å²	140	129.6 Å²	129.6	65%	0.654	64%	0.64	S	S	*	*	S	Bend	trans	-116.4	-15.1	-175.1	-134.3	170.2	15.6	0	0	114.4
180	A	42.4	Very low	39.8	Very low	61 Å²	61	127.4 Å²	127.4	50%	0.504	64%	0.643	S	S	.	*	H	α-helix	trans	-85.3	-24.7	179.1	0	0	0	0	0	113.6	E182 L183 Q184	A180-E182 VanDerWaalsContact C-N 3.27Å; A180-E182 PolarHBondContact O-N 2.97Å; A180-L183 PolarHBondContact O-N 3Å; A180-Q184 PolarHBondContact O-N 2.9Å
181	E	43.1	Very low	39.2	Very low	117 Å²	117	131.6 Å²	131.6	55%	0.547	66%	0.663	S	S	.	*	H	α-helix	trans	-67.4	-26.6	174.3	-85.1	-172	146	0	0	112.7
182	E	41.3	Very low	38.9	Very low	148 Å²	148	134.5 Å²	134.5	69%	0.692	67%	0.673	S	S	*	*	H	α-helix	trans	-73	-30.2	175.9	-69	-157.5	144	0	0	112.7	A180	A180-E182 VanDerWaalsContact C-N 3.27Å; A180-E182 PolarHBondContact O-N 2.97Å
183	L	40	Very low	38.9	Very low	121 Å²	121	135.6 Å²	135.6	63%	0.634	68%	0.68	S	S	*	*	H	α-helix	trans	-79.2	-26.3	179.6	-75.5	168.8	0	0	0	113.4	A180 A186	A180-L183 PolarHBondContact O-N 3Å; L183-A186 PolarHBondContact O-N 2.86Å
184	Q	41.6	Very low	38.8	Very low	157 Å²	157	143.3 Å²	143.3	73%	0.734	71%	0.707	S	S	*	*	H	α-helix	trans	-71.8	-27.9	173.4	-99.2	-177	-15.5	0	0	113.1	A180 A186	A180-Q184 PolarHBondContact O-N 2.9Å; Q184-A186 VanDerWaalsContact C-N 3.32Å
185	K	41.4	Very low	38.6	Very low	172 Å²	172	143.2 Å²	143.2	75%	0.748	72%	0.718	S	S	*	*	H	α-helix	trans	-71.1	-26.9	173.4	-80.4	177.9	179.1	170.4	0	112.9
186	A	35.2	Very low	38.7	Very low	64 Å²	64	144.8 Å²	144.8	53%	0.529	72%	0.719	S	S	.	*	H	α-helix	trans	-76	-26.5	179.8	0	0	0	0	0	113.9	L183 Q184	L183-A186 PolarHBondContact O-N 2.86Å; Q184-A186 VanDerWaalsContact C-N 3.32Å
187	F	34.8	Very low	38.5	Very low	184 Å²	184	149.7 Å²	149.7	81%	0.807	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-10.9	-179	-95	-83.8	0	0	0	114.9	Y189	F187-Y189 VanDerWaalsContact C-N 3.34Å
188	K	38	Very low	38.3	Very low	182 Å²	182	149.2 Å²	149.2	79%	0.791	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-6.1	-179.1	-136.6	176	-175.9	178.9	0	113.8
189	Y	35.5	Very low	38.1	Very low	215 Å²	215	150.5 Å²	150.5	84%	0.843	74%	0.742	S	S	*	*	S	Bend	trans	-135.3	63.8	177.9	-72.5	-81.8	0	0	0	111.5	F187	F187-Y189 VanDerWaalsContact C-N 3.34Å
190	A	33	Very low	38	Very low	79 Å²	79	152.3 Å²	152.3	65%	0.653	75%	0.751	S	S	*	*	S	Bend	trans	-151.2	127.2	156.2	0	0	0	0	0	108.9
191	D	32.3	Very low	37.8	Very low	158 Å²	158	158.3 Å²	158.3	85%	0.845	77%	0.768	S	S	*	*			trans	77.7	65.1	173.5	-64.1	-13.6	0	0	0	118.8
192	H	37.3	Very low	37.5	Very low	196 Å²	196	164 Å²	164	91%	0.907	79%	0.785	S	S	*	*				-109	98.8	127.4	-95.5	-63	0	0	0	108.4
193	E	42.5	Very low	37.5	Very low	177 Å²	177	168.1 Å²	168.1	83%	0.827	79%	0.794	S	S	*	*			trans	-162.4	131.9	142.9	-110.8	-179.8	-154.8	0	0	110.6
194	K	39.5	Very low	37.5	Very low	187 Å²	187	167.5 Å²	167.5	81%	0.813	80%	0.8	S	S	*	*	S	Bend	trans	72.6	96.9	169	-78.3	174.8	176.2	163	0	118.5
195	T	33.8	Very low	37.6	Very low	140 Å²	140	165.5 Å²	165.5	86%	0.859	80%	0.804	S	S	*	*				168.6	87.5	92.4	27.3	0	0	0	0	108.4
196	D	39	Very low	38.1	Very low	126 Å²	126	162.9 Å²	162.9	67%	0.674	81%	0.807	S	S	*	*			trans	-109.4	79.5	175	-155.2	13	0	0	0	108.2
197	Y	37.3	Very low	38.6	Very low	224 Å²	224	164.1 Å²	164.1	88%	0.878	81%	0.812	S	S	*	*	S	Bend	trans	-164.9	76.1	168	-102	-80	0	0	0	106.3
198	D	37.2	Very low	39.9	Very low	163 Å²	163	161.4 Å²	161.4	87%	0.872	81%	0.81	S	S	*	*	S	Bend	trans	175.1	-6.9	152.3	-89.9	-17.8	0	0	0	114.4
199	L	37.8	Very low	41.7	Very low	149 Å²	149	157.9 Å²	157.9	78%	0.78	80%	0.796	S	S	*	*	S	Bend	trans	-91.7	-6.9	-176.4	-82.1	162.4	0	0	0	116.1	Q201	L199-Q201 PolarHBondContact O-N 3.13Å
200	E	36.3	Very low	43.9	Very low	178 Å²	178	150.3 Å²	150.3	83%	0.832	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-2.5	-174.5	-74.1	-165.5	143.9	0	0	115.8
201	Q	36.8	Very low	46	Very low	187 Å²	187	150 Å²	150	87%	0.874	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	2.9	-176.1	-88.6	-173.6	7.1	0	0	116.8	L199	L199-Q201 PolarHBondContact O-N 3.13Å
202	R	37.7	Very low	48.4	Very low	238 Å²	238	148.2 Å²	148.2	90%	0.898	75%	0.752	S	S	*	*	S	Bend	trans	-126.4	-0.7	-177.5	-74.7	-169.4	-179.6	-174.1	2.1	117.9	S204	R202-S204 PolarHBondContact O-N 3.1Å
203	R	39.8	Very low	50.8	Low	233 Å²	233	142.5 Å²	142.5	88%	0.879	73%	0.728	S	S	*	*			trans	-99.2	67.6	177.1	-73.3	-173.5	177	-173.6	-1.2	112.6
204	S	41.6	Very low	53.1	Low	109 Å²	109	137.4 Å²	137.4	76%	0.762	71%	0.71	S	S	*	*			trans	-106.8	81	160.9	62.1	0	0	0	0	109.7	R202	R202-S204 PolarHBondContact O-N 3.1Å
205	S	43.7	Very low	55.5	Low	115 Å²	115	130.5 Å²	130.5	80%	0.804	69%	0.688	S	S	*	*	S	Bend	trans	-179.9	109.6	146.1	25.1	0	0	0	0	111.2
206	S	50.3	Low	58.2	Low	116 Å²	116	129.9 Å²	129.9	81%	0.811	68%	0.675	S	S	*	*			trans	61	60.3	163.7	77.5	0	0	0	0	120.3
207	S	47.5	Very low	60.8	Low	91 Å²	91	127.2 Å²	127.2	64%	0.636	66%	0.66	S	S	*	*			trans	-81.1	120.3	151.8	166.8	0	0	0	0	108.3	H209 Q212	S207-H209 PolarHBondContact O-N 2.86Å; S207-Q212 PolarHBondContact O-NE2 2.83Å
208	T	60.2	Low	63.5	Low	126 Å²	126	116.9 Å²	116.9	77%	0.773	62%	0.62	S	S	*	*			trans	-75.3	79.8	172.8	47.1	0	0	0	0	109.7
209	H	75.9	Confident	66.1	Low	108 Å²	108	110.7 Å²	110.7	50%	0.5	59%	0.587	S	S	.	*			trans	-71.8	147.2	177.5	-165.8	-103.2	0	0	0	110.1	S207 S211 Q212	S207-H209 PolarHBondContact O-N 2.86Å; H209-S211 PolarHBondContact CE1-OG 3.22Å; H209-S211 VanDerWaalsContact ND1-CB 3.31Å; H209-S211 WeakPolarHBondContact ND1-CB 3.3Å; H209-S211 PolarHBondContact ND1-N 3.02Å; H209-S211 PolarHBondContact ND1-OG 3.32Å; H209-S211 PolarHBondContact O-N 3.14Å; H209-Q212 VanDerWaalsContact O-CB 3.28Å; H209-Q212 WeakPolarHBondContact O-CB 3.45Å; H209-Q212 PolarHBondContact O-N 2.98Å
210	V	82	Confident	68.7	Low	56 Å²	56	112.1 Å²	112.1	34%	0.339	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-51.8	-27.3	175.5	66.8	0	0	0	0	112.8	Q212 L213 M218 W240	V210-Q212 PolarHBondContact O-N 3.45Å; V210-Q212 VanDerWaalsContact O-N 3.12Å; V210-L213 HydrophobicContact CG2-CD1 3.95Å; V210-L213 WeakPolarHBondContact O-CB 3.45Å; V210-L213 PolarHBondContact O-N 3.49Å; V210-M218 HydrophobicContact CG2-CE 4.18Å; V210-M218 HydrophobicContact CG2-SD 3.75Å; V210-W240 HydrophobicContact CG1-CZ2 3.79Å; V210-W240 HydrophobicContact CG2-CZ2 4.05Å
211	S	77.3	Confident	71.4	Confident	74 Å²	74	107.9 Å²	107.9	52%	0.517	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-64.2	-9.8	172.8	-52.9	0	0	0	0	115	H209	H209-S211 PolarHBondContact CE1-OG 3.22Å; H209-S211 VanDerWaalsContact ND1-CB 3.31Å; H209-S211 WeakPolarHBondContact ND1-CB 3.3Å; H209-S211 PolarHBondContact ND1-N 3.02Å; H209-S211 PolarHBondContact ND1-OG 3.32Å; H209-S211 PolarHBondContact O-N 3.14Å
212	Q	82.8	Confident	74.2	Confident	120 Å²	120	99.4 Å²	99.4	56%	0.561	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-87.9	-10.7	174	-62.9	179.3	6.3	0	0	112.4	S207 H209 V210	S207-Q212 PolarHBondContact O-NE2 2.83Å; H209-Q212 VanDerWaalsContact O-CB 3.28Å; H209-Q212 WeakPolarHBondContact O-CB 3.45Å; H209-Q212 PolarHBondContact O-N 2.98Å; V210-Q212 PolarHBondContact O-N 3.45Å; V210-Q212 VanDerWaalsContact O-N 3.12Å
213	L	87.3	Confident	76.8	Confident	76 Å²	76	94 Å²	94	40%	0.398	51%	0.51	S	S	.	.	S	Bend	trans	-68.2	139.6	173.4	-66.4	177.6	0	0	0	110.2	V210 M218 L221	V210-L213 HydrophobicContact CG2-CD1 3.95Å; V210-L213 WeakPolarHBondContact O-CB 3.45Å; V210-L213 PolarHBondContact O-N 3.49Å; L213-M218 HydrophobicContact CB-CG 4.09Å; L213-M218 HydrophobicContact CB-SD 4.09Å; L213-M218 HydrophobicContact CD1-SD 3.9Å; L213-L221 HydrophobicContact CD1-CD1 4.4Å
214	P	91.2	Very high	79.3	Confident	70 Å²	70	92.3 Å²	92.3	46%	0.455	51%	0.505	S	S	.	.			trans	-57.4	146.8	171.4	-22.8	32.9	0	0	0	111.7	E216 I217 M218	P214-E216 VanDerWaalsContact CB-OE2 3.28Å; P214-E216 WeakPolarHBondContact CB-OE2 3.48Å; P214-E216 PolarHBondContact O-N 2.77Å; P214-E216 VanDerWaalsContact O-N 3.16Å; P214-I217 HydrophobicContact CB-CG1 4.33Å; P214-I217 HydrophobicContact CG-CG1 4.35Å; P214-I217 PolarHBondContact O-N 3.03Å; P214-M218 PolarHBondContact O-N 2.93Å; P214-M218 VanDerWaalsContact O-N 3.14Å
215	A	89.2	Confident	81.7	Confident	42 Å²	42	89.8 Å²	89.8	35%	0.347	48%	0.482	S	S	.	.	H	α-helix	trans	-53.6	-36.5	179.3	0	0	0	0	0	112.3	I217 M218 L219 L243	A215-I217 VanDerWaalsContact C-N 3.33Å; A215-I217 PolarHBondContact O-N 3.16Å; A215-M218 PolarHBondContact O-N 3.38Å; A215-L219 WeakPolarHBondContact O-CB 3.47Å; A215-L219 VanDerWaalsContact O-CG 3.25Å; A215-L219 WeakPolarHBondContact O-CG 3.29Å; A215-L219 PolarHBondContact O-N 3.32Å; A215-L243 HydrophobicContact CB-CD2 3.66Å
216	E	92.4	Very high	83.9	Confident	126 Å²	126	85.2 Å²	85.2	59%	0.589	45%	0.454	S	S	*	.	H	α-helix	trans	-65.1	-36.5	-179.3	-59.3	76.5	-168.9	0	0	112.2	P214 R220	P214-E216 VanDerWaalsContact CB-OE2 3.28Å; P214-E216 WeakPolarHBondContact CB-OE2 3.48Å; P214-E216 PolarHBondContact O-N 2.77Å; P214-E216 VanDerWaalsContact O-N 3.16Å; E216-R220 WeakPolarHBondContact O-CG 3.36Å; E216-R220 PolarHBondContact O-N 3.49Å; E216-R220 VanDerWaalsContact O-N 3.14Å
217	I	92.8	Very high	85.9	Confident	70 Å²	70	80.1 Å²	80.1	36%	0.359	42%	0.417	S	S	.	.	H	α-helix	trans	-72.7	-44.4	176.6	-56.3	-56.5	0	0	0	109.5	P214 A215 L219 R220 L221	P214-I217 HydrophobicContact CB-CG1 4.33Å; P214-I217 HydrophobicContact CG-CG1 4.35Å; P214-I217 PolarHBondContact O-N 3.03Å; A215-I217 VanDerWaalsContact C-N 3.33Å; A215-I217 PolarHBondContact O-N 3.16Å; I217-L219 VanDerWaalsContact C-N 3.27Å; I217-L219 PolarHBondContact O-N 3.4Å; I217-R220 WeakPolarHBondContact O-CB 3.43Å; I217-R220 PolarHBondContact O-N 2.53Å; I217-R220 VanDerWaalsContact O-N 3.13Å; I217-L221 WeakPolarHBondContact O-CG 3.23Å; I217-L221 PolarHBondContact O-N 3.44Å
218	M	93.4	Very high	88	Confident	7 Å²	7	77.9 Å²	77.9	3%	0.034	40%	0.4	C	S	.	.	H	α-helix	trans	-57.6	-41.2	174.7	-69.6	-62.1	-59	0	0	112	V210 L213 P214 A215 L221 F222 W240 L243	V210-M218 HydrophobicContact CG2-CE 4.18Å; V210-M218 HydrophobicContact CG2-SD 3.75Å; L213-M218 HydrophobicContact CB-CG 4.09Å; L213-M218 HydrophobicContact CB-SD 4.09Å; L213-M218 HydrophobicContact CD1-SD 3.9Å; P214-M218 PolarHBondContact O-N 2.93Å; P214-M218 VanDerWaalsContact O-N 3.14Å; A215-M218 PolarHBondContact O-N 3.38Å; M218-L221 WeakPolarHBondContact O-CB 3.29Å; M218-L221 PolarHBondContact O-N 3.22Å; M218-L221 HydrophobicContact SD-CD1 4.33Å; M218-F222 HydrophobicContact CE-CE1 3.92Å; M218-F222 HydrophobicContact CE-CE2 4.28Å; M218-F222 HydrophobicContact CE-CZ 3.58Å; M218-F222 VanDerWaalsContact O-CG 3.28Å; M218-F222 WeakPolarHBondContact O-CG 3.45Å; M218-F222 PolarHBondContact O-N 2.77Å; M218-W240 HydrophobicContact CE-CD2 4.28Å; M218-W240 VanDerWaalsContact CE-CE2 3.49Å; M218-W240 HydrophobicContact CE-CH2 4.45Å; M218-W240 HydrophobicContact CE-CZ2 3.61Å; M218-L243 HydrophobicContact CB-CD1 3.83Å; M218-L243 HydrophobicContact CG-CD1 4.26Å
219	L	92.3	Very high	89.6	Confident	34 Å²	34	74.9 Å²	74.9	18%	0.178	38%	0.379	C	S	.	.	H	α-helix	trans	-65.4	-38.3	176.3	-73.6	172.3	0	0	0	112.8	A215 I217 L221 F222 H223 L243 T246 L249	A215-L219 WeakPolarHBondContact O-CB 3.47Å; A215-L219 VanDerWaalsContact O-CG 3.25Å; A215-L219 WeakPolarHBondContact O-CG 3.29Å; A215-L219 PolarHBondContact O-N 3.32Å; I217-L219 VanDerWaalsContact C-N 3.27Å; I217-L219 PolarHBondContact O-N 3.4Å; L219-L221 VanDerWaalsContact C-N 3.33Å; L219-F222 PolarHBondContact O-N 3.43Å; L219-H223 PolarHBondContact O-N 2.94Å; L219-L243 HydrophobicContact CD1-CD2 4.42Å; L219-L243 HydrophobicContact CD2-CB 4.42Å; L219-L243 HydrophobicContact CD2-CD2 4.2Å; L219-L243 WeakPolarHBondContact CD2-O 3.42Å; L219-L243 HydrophobicContact CG-CD2 4.05Å; L219-T246 HydrophobicContact CD1-CG2 4.01Å; L219-T246 HydrophobicContact CD2-CG2 4.01Å; L219-T246 WeakPolarHBondContact CD2-OG1 3.28Å; L219-L249 HydrophobicContact CD2-CD1 3.97Å; L219-L249 HydrophobicContact CD2-CG 4.42Å
220	R	92.4	Very high	90.5	Very high	178 Å²	178	70 Å²	70	67%	0.672	36%	0.357	S	S	*	.	H	α-helix	trans	-64	-39.1	173.7	-73.7	178.2	-176.9	-173.9	1.3	111.8	E216 I217 H223 Y224	E216-R220 WeakPolarHBondContact O-CG 3.36Å; E216-R220 PolarHBondContact O-N 3.49Å; E216-R220 VanDerWaalsContact O-N 3.14Å; I217-R220 WeakPolarHBondContact O-CB 3.43Å; I217-R220 PolarHBondContact O-N 2.53Å; I217-R220 VanDerWaalsContact O-N 3.13Å; R220-H223 WeakPolarHBondContact O-CB 3.36Å; R220-H223 PolarHBondContact O-N 2.94Å; R220-Y224 VanDerWaalsContact O-CD2 3.29Å; R220-Y224 WeakPolarHBondContact O-CD2 3.47Å; R220-Y224 WeakPolarHBondContact O-CE2 3.25Å
221	L	93.7	Very high	91	Very high	90 Å²	90	70.2 Å²	70.2	47%	0.471	36%	0.36	S	S	.	.	H	α-helix	trans	-64.6	-46.3	174.6	-66.2	172.7	0	0	0	111.1	L213 I217 M218 L219 H223 Y224	L213-L221 HydrophobicContact CD1-CD1 4.4Å; I217-L221 WeakPolarHBondContact O-CG 3.23Å; I217-L221 PolarHBondContact O-N 3.44Å; M218-L221 WeakPolarHBondContact O-CB 3.29Å; M218-L221 PolarHBondContact O-N 3.22Å; M218-L221 HydrophobicContact SD-CD1 4.33Å; L219-L221 VanDerWaalsContact C-N 3.33Å; L221-H223 PolarHBondContact O-N 3.23Å; L221-Y224 PolarHBondContact O-N 3.5Å
222	F	94.9	Very high	91.9	Very high	8 Å²	8	74.1 Å²	74.1	4%	0.035	36%	0.364	C	S	.	.	H	α-helix	trans	-64.5	-21.8	178	-68.2	-16.5	0	0	0	113.6	M218 L219 Y224 L225 L230 C233 W240 L243 V244 L249	M218-F222 HydrophobicContact CE-CE1 3.92Å; M218-F222 HydrophobicContact CE-CE2 4.28Å; M218-F222 HydrophobicContact CE-CZ 3.58Å; M218-F222 VanDerWaalsContact O-CG 3.28Å; M218-F222 WeakPolarHBondContact O-CG 3.45Å; M218-F222 PolarHBondContact O-N 2.77Å; L219-F222 PolarHBondContact O-N 3.43Å; F222-Y224 PolarHBondContact O-N 2.88Å; F222-L225 HydrophobicContact CD1-CD1 3.69Å; F222-L225 HydrophobicContact CE1-CD1 4.36Å; F222-L225 WeakPolarHBondContact O-CB 3.42Å; F222-L225 PolarHBondContact O-N 3.36Å; F222-L230 HydrophobicContact CB-CD2 3.84Å; F222-L230 HydrophobicContact CG-CD2 4.35Å; F222-C233 HydrophobicContact CE1-CB 4.3Å; F222-C233 HydrophobicContact CZ-CB 4.44Å; F222-W240 HydrophobicContact CE1-CD2 4.48Å; F222-W240 HydrophobicContact CE1-CE3 4.21Å; F222-W240 HydrophobicContact CE1-CZ3 4.35Å; F222-W240 HydrophobicContact CZ-CB 4.34Å; F222-W240 AromaticContact CZ-CD2 3.78Å; F222-W240 HydrophobicContact CZ-CD2 3.78Å; F222-W240 AromaticContact CZ-CE3 3.87Å; F222-W240 HydrophobicContact CZ-CE3 3.87Å; F222-W240 AromaticContact CZ-CG 4Å; F222-W240 HydrophobicContact CZ-CG 4Å; F222-W240 HydrophobicContact CZ-CZ3 4.43Å; F222-L243 HydrophobicContact CD2-CB 4.25Å; F222-L243 HydrophobicContact CE2-CB 3.79Å; F222-L243 HydrophobicContact CE2-CD1 4.42Å; F222-V244 HydrophobicContact CD2-CG2 3.92Å; F222-V244 HydrophobicContact CE2-CG2 3.81Å; F222-V244 HydrophobicContact CZ-CG2 4.34Å; F222-L249 HydrophobicContact CB-CD1 3.75Å; F222-L249 HydrophobicContact CB-CD2 3.96Å; F222-L249 HydrophobicContact CD2-CD1 4.29Å
223	H	91.6	Very high	92.4	Very high	125 Å²	125	69.4 Å²	69.4	58%	0.579	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.3	176.5	-166.7	66.1	0	0	0	113.6	L219 R220 L221 L225 L249	L219-H223 PolarHBondContact O-N 2.94Å; R220-H223 WeakPolarHBondContact O-CB 3.36Å; R220-H223 PolarHBondContact O-N 2.94Å; L221-H223 PolarHBondContact O-N 3.23Å; H223-L225 VanDerWaalsContact C-N 3.31Å; H223-L249 HydrophobicContact CB-CD2 4.17Å
224	Y	92.1	Very high	92.8	Very high	198 Å²	198	67 Å²	67	78%	0.776	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-3.6	176.4	-61.5	-74.5	0	0	0	113.5	R220 L221 F222	R220-Y224 VanDerWaalsContact O-CD2 3.29Å; R220-Y224 WeakPolarHBondContact O-CD2 3.47Å; R220-Y224 WeakPolarHBondContact O-CE2 3.25Å; L221-Y224 PolarHBondContact O-N 3.5Å; F222-Y224 PolarHBondContact O-N 2.88Å
225	L	92.9	Very high	92.9	Very high	55 Å²	55	71.1 Å²	71.1	29%	0.288	35%	0.346	S	S	.	.	S	Bend	trans	-93.7	137.9	-177.9	-59.2	-178.4	0	0	0	110.9	F222 H223 D229 L230 C233	F222-L225 HydrophobicContact CD1-CD1 3.69Å; F222-L225 HydrophobicContact CE1-CD1 4.36Å; F222-L225 WeakPolarHBondContact O-CB 3.42Å; F222-L225 PolarHBondContact O-N 3.36Å; H223-L225 VanDerWaalsContact C-N 3.31Å; L225-D229 HydrophobicContact CB-CB 4.23Å; L225-D229 HydrophobicContact CD2-CB 4.47Å; L225-L230 HydrophobicContact CB-CD2 3.95Å; L225-L230 HydrophobicContact CB-CG 4Å; L225-L230 HydrophobicContact CD1-CD2 4.34Å; L225-C233 VanDerWaalsContact CD1-SG 3.58Å
226	G	89.6	Confident	93.2	Very high	20 Å²	20	73.4 Å²	73.4	21%	0.206	36%	0.356	C	S	.	.			trans	-68.3	163.6	170.8	0	0	0	0	0	112.4	V228 D229 L230	G226-V228 PolarHBondContact O-N 3.11Å; G226-V228 VanDerWaalsContact O-N 3.14Å; G226-D229 PolarHBondContact O-N 3.37Å; G226-L230 WeakPolarHBondContact O-CG 3.43Å; G226-L230 PolarHBondContact O-N 3.31Å
227	P	91.8	Very high	93.2	Very high	8 Å²	8	69.7 Å²	69.7	5%	0.052	34%	0.343	C	S	.	.	H	α-helix	trans	-54.8	-35.1	-178.1	21.5	-35.7	0	0	0	114	C231 W250 W258 Y263	P227-C231 PolarHBondContact O-N 3.46Å; P227-C231 PolarHBondContact O-SG 3.34Å; P227-W250 HydrophobicContact CB-CH2 3.92Å; P227-W250 HydrophobicContact CB-CZ3 3.67Å; P227-W258 HydrophobicContact CB-CD2 4.37Å; P227-W258 HydrophobicContact CB-CE3 4.43Å; P227-W258 HydrophobicContact CB-CH2 4.09Å; P227-W258 HydrophobicContact CB-CZ2 4.09Å; P227-W258 HydrophobicContact CB-CZ3 4.29Å; P227-W258 HydrophobicContact CG-CD2 4Å; P227-W258 HydrophobicContact CG-CG 4.34Å; P227-W258 HydrophobicContact CG-CH2 4.44Å; P227-W258 HydrophobicContact CG-CZ2 3.96Å; P227-Y263 WeakPolarHBondContact CD-O 3.31Å; P227-Y263 HydrophobicContact CG-CD1 4.24Å
228	V	92.1	Very high	93.2	Very high	44 Å²	44	71 Å²	71	27%	0.267	36%	0.358	S	S	.	.	H	α-helix	trans	-67	-46.3	176.7	176.7	0	0	0	0	111.5	G226 L230 C231 R232 Y263	G226-V228 PolarHBondContact O-N 3.11Å; G226-V228 VanDerWaalsContact O-N 3.14Å; V228-L230 VanDerWaalsContact C-N 3.34Å; V228-C231 WeakPolarHBondContact O-CB 3.05Å; V228-C231 PolarHBondContact O-N 2.62Å; V228-R232 WeakPolarHBondContact O-CG 3.2Å; V228-R232 PolarHBondContact O-N 2.91Å; V228-Y263 HydrophobicContact CG2-CD1 3.56Å; V228-Y263 HydrophobicContact CG2-CD2 4.3Å; V228-Y263 HydrophobicContact CG2-CE1 3.26Å; V228-Y263 HydrophobicContact CG2-CE2 4.04Å; V228-Y263 HydrophobicContact CG2-CG 4.08Å
229	D	94.6	Very high	93.1	Very high	64 Å²	64	73 Å²	73	34%	0.342	38%	0.376	S	S	.	.	H	α-helix	trans	-72.2	-32.4	-178.9	-64.9	-39.4	0	0	0	111.7	L225 G226 R232 C233	L225-D229 HydrophobicContact CB-CB 4.23Å; L225-D229 HydrophobicContact CD2-CB 4.47Å; G226-D229 PolarHBondContact O-N 3.37Å; D229-R232 WeakPolarHBondContact O-CB 3.15Å; D229-R232 PolarHBondContact O-N 3.23Å; D229-R232 IonicContact OD1-CZ 2.71Å; D229-R232 IonicContact OD1-NH1 2.74Å; D229-R232 PolarHBondContact OD1-NH1 2.92Å; D229-C233 WeakPolarHBondContact O-CB 3.39Å; D229-C233 PolarHBondContact O-N 3.45Å; D229-C233 PolarHBondContact O-SG 2.96Å
230	L	94.9	Very high	93.2	Very high	5 Å²	5	73.5 Å²	73.5	3%	0.026	38%	0.376	C	S	.	.	H	α-helix	trans	-57	-48.5	166.5	-73.4	177.7	0	0	0	111.1	F222 L225 G226 V228 R232 C233 S234 V244 L249 W250	F222-L230 HydrophobicContact CB-CD2 3.84Å; F222-L230 HydrophobicContact CG-CD2 4.35Å; L225-L230 HydrophobicContact CB-CD2 3.95Å; L225-L230 HydrophobicContact CB-CG 4Å; L225-L230 HydrophobicContact CD1-CD2 4.34Å; G226-L230 WeakPolarHBondContact O-CG 3.43Å; G226-L230 PolarHBondContact O-N 3.31Å; V228-L230 VanDerWaalsContact C-N 3.34Å; L230-R232 VanDerWaalsContact C-N 3.28Å; L230-R232 PolarHBondContact O-N 3.23Å; L230-C233 WeakPolarHBondContact O-CB 3.22Å; L230-C233 PolarHBondContact O-N 3.05Å; L230-C233 VanDerWaalsContact O-N 3.15Å; L230-S234 PolarHBondContact O-N 3.03Å; L230-V244 HydrophobicContact CB-CG1 3.84Å; L230-V244 HydrophobicContact CD2-CG1 4.29Å; L230-V244 HydrophobicContact CD2-CG2 4.24Å; L230-V244 WeakPolarHBondContact O-CG1 3.3Å; L230-L249 HydrophobicContact CD1-CB 4.2Å; L230-L249 HydrophobicContact CD2-CD1 4.06Å; L230-W250 HydrophobicContact CB-CH2 4.22Å; L230-W250 HydrophobicContact CB-CZ2 3.83Å; L230-W250 HydrophobicContact CD1-CH2 4.31Å; L230-W250 HydrophobicContact CD1-CZ2 3.93Å
231	C	92.4	Very high	93.3	Very high	61 Å²	61	66.2 Å²	66.2	41%	0.412	35%	0.352	S	S	.	.	H	α-helix	trans	-62.9	-33.6	177.5	-68.5	0	0	0	0	112.6	P227 V228 S234 Q235	P227-C231 PolarHBondContact O-N 3.46Å; P227-C231 PolarHBondContact O-SG 3.34Å; V228-C231 WeakPolarHBondContact O-CB 3.05Å; V228-C231 PolarHBondContact O-N 2.62Å; C231-S234 PolarHBondContact O-N 3.14Å; C231-S234 PolarHBondContact O-OG 2.72Å; C231-Q235 PolarHBondContact O-NE2 3.3Å
232	R	95.1	Very high	93.2	Very high	156 Å²	156	67.3 Å²	67.3	59%	0.589	36%	0.358	S	S	*	.	H	α-helix	trans	-68.1	-44.9	172	-68.8	170.8	176.7	158.2	-5.1	111.6	V228 D229 L230 S234 Q235	V228-R232 WeakPolarHBondContact O-CG 3.2Å; V228-R232 PolarHBondContact O-N 2.91Å; D229-R232 WeakPolarHBondContact O-CB 3.15Å; D229-R232 PolarHBondContact O-N 3.23Å; D229-R232 IonicContact OD1-CZ 2.71Å; D229-R232 IonicContact OD1-NH1 2.74Å; D229-R232 PolarHBondContact OD1-NH1 2.92Å; L230-R232 VanDerWaalsContact C-N 3.28Å; L230-R232 PolarHBondContact O-N 3.23Å; R232-S234 PolarHBondContact O-N 2.99Å; R232-Q235 WeakPolarHBondContact O-CB 3.49Å; R232-Q235 PolarHBondContact O-N 3.05Å
233	C	94.8	Very high	93.2	Very high	20 Å²	20	68.2 Å²	68.2	14%	0.135	36%	0.363	C	S	.	.	H	α-helix	trans	-58.9	-33.8	175.7	-69.7	0	0	0	0	111.8	F222 L225 D229 L230 Q235 V236 W240 V244	F222-C233 HydrophobicContact CE1-CB 4.3Å; F222-C233 HydrophobicContact CZ-CB 4.44Å; L225-C233 VanDerWaalsContact CD1-SG 3.58Å; D229-C233 WeakPolarHBondContact O-CB 3.39Å; D229-C233 PolarHBondContact O-N 3.45Å; D229-C233 PolarHBondContact O-SG 2.96Å; L230-C233 WeakPolarHBondContact O-CB 3.22Å; L230-C233 PolarHBondContact O-N 3.05Å; L230-C233 VanDerWaalsContact O-N 3.15Å; C233-Q235 PolarHBondContact O-N 3.06Å; C233-Q235 VanDerWaalsContact O-N 3.09Å; C233-V236 WeakPolarHBondContact O-CB 3.4Å; C233-V236 PolarHBondContact O-N 2.77Å; C233-V236 VanDerWaalsContact O-N 3.15Å; C233-W240 HydrophobicContact CB-CE3 4.04Å; C233-W240 HydrophobicContact CB-CZ3 4.47Å; C233-W240 WeakPolarHBondContact O-CB 3.34Å; C233-V244 HydrophobicContact CB-CG2 3.83Å
234	S	93.8	Very high	93.3	Very high	26 Å²	26	62.4 Å²	62.4	18%	0.182	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.3	178	83.6	0	0	0	0	114.6	L230 C231 R232 S241	L230-S234 PolarHBondContact O-N 3.03Å; C231-S234 PolarHBondContact O-N 3.14Å; C231-S234 PolarHBondContact O-OG 2.72Å; R232-S234 PolarHBondContact O-N 2.99Å; S234-S241 WeakPolarHBondContact O-CB 3.24Å; S234-S241 PolarHBondContact O-OG 2.94Å
235	Q	94.7	Very high	93.3	Very high	156 Å²	156	56.6 Å²	56.6	73%	0.729	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-2.6	-178.8	-62.5	170.3	62.1	0	0	113	C231 R232 C233	C231-Q235 PolarHBondContact O-NE2 3.3Å; R232-Q235 WeakPolarHBondContact O-CB 3.49Å; R232-Q235 PolarHBondContact O-N 3.05Å; C233-Q235 PolarHBondContact O-N 3.06Å; C233-Q235 VanDerWaalsContact O-N 3.09Å
236	V	94.4	Very high	93.3	Very high	91 Å²	91	56.2 Å²	56.2	55%	0.552	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-50.5	-176.7	175.2	0	0	0	0	111.4	C233 W240	C233-V236 WeakPolarHBondContact O-CB 3.4Å; C233-V236 PolarHBondContact O-N 2.77Å; C233-V236 VanDerWaalsContact O-N 3.15Å; V236-W240 HydrophobicContact CB-CD2 4.17Å; V236-W240 HydrophobicContact CB-CE3 3.65Å; V236-W240 HydrophobicContact CB-CZ3 4.19Å; V236-W240 HydrophobicContact CG1-CD2 4.13Å; V236-W240 HydrophobicContact CG1-CE3 3.83Å; V236-W240 HydrophobicContact CG1-CZ3 4.07Å; V236-W240 HydrophobicContact CG2-CE3 3.76Å; V236-W240 HydrophobicContact CG2-CZ3 3.95Å
237	C	92.4	Very high	93.3	Very high	48 Å²	48	55.6 Å²	55.6	32%	0.324	31%	0.309	S	S	.	.			trans	-157.6	167.8	175.2	69.5	0	0	0	0	110.8	A239 W240 S241	C237-A239 VanDerWaalsContact C-N 3.34Å; C237-A239 PolarHBondContact O-N 3.45Å; C237-W240 PolarHBondContact O-N 3.38Å; C237-W240 VanDerWaalsContact SG-CG 3.58Å; C237-W240 PolarHBondContact SG-N 3.2Å; C237-S241 PolarHBondContact O-N 2.93Å
238	S	92.9	Very high	93.3	Very high	96 Å²	96	58 Å²	58	67%	0.671	33%	0.326	S	S	*	.	H	α-helix	trans	-57.7	-44.2	179.6	51.5	0	0	0	0	112.7	W240 S241 D242	S238-W240 VanDerWaalsContact C-N 3.32Å; S238-W240 PolarHBondContact O-N 3.14Å; S238-S241 VanDerWaalsContact O-CB 3.3Å; S238-S241 WeakPolarHBondContact O-CB 3.26Å; S238-S241 PolarHBondContact O-N 3.48Å; S238-S241 VanDerWaalsContact O-N 3.15Å; S238-D242 PolarHBondContact O-N 2.99Å
239	A	92.3	Very high	93.4	Very high	50 Å²	50	56.8 Å²	56.8	41%	0.413	32%	0.318	S	S	.	.	H	α-helix	trans	-60.3	-41	178.9	0	0	0	0	0	112.4	C237 D242 L243	C237-A239 VanDerWaalsContact C-N 3.34Å; C237-A239 PolarHBondContact O-N 3.45Å; A239-D242 PolarHBondContact O-N 2.91Å; A239-L243 WeakPolarHBondContact O-CB 3.29Å; A239-L243 VanDerWaalsContact O-CG 3.25Å; A239-L243 WeakPolarHBondContact O-CG 3.3Å; A239-L243 PolarHBondContact O-N 3.45Å
240	W	94.5	Very high	93.5	Very high	45 Å²	45	54.1 Å²	54.1	17%	0.17	30%	0.303	C	S	.	.	H	α-helix	trans	-72.5	-35.7	176.7	-72	24.7	0	0	0	111.6	V210 M218 F222 C233 V236 C237 S238 D242 L243 V244	V210-W240 HydrophobicContact CG1-CZ2 3.79Å; V210-W240 HydrophobicContact CG2-CZ2 4.05Å; M218-W240 HydrophobicContact CE-CD2 4.28Å; M218-W240 VanDerWaalsContact CE-CE2 3.49Å; M218-W240 HydrophobicContact CE-CH2 4.45Å; M218-W240 HydrophobicContact CE-CZ2 3.61Å; F222-W240 HydrophobicContact CE1-CD2 4.48Å; F222-W240 HydrophobicContact CE1-CE3 4.21Å; F222-W240 HydrophobicContact CE1-CZ3 4.35Å; F222-W240 HydrophobicContact CZ-CB 4.34Å; F222-W240 AromaticContact CZ-CD2 3.78Å; F222-W240 HydrophobicContact CZ-CD2 3.78Å; F222-W240 AromaticContact CZ-CE3 3.87Å; F222-W240 HydrophobicContact CZ-CE3 3.87Å; F222-W240 AromaticContact CZ-CG 4Å; F222-W240 HydrophobicContact CZ-CG 4Å; F222-W240 HydrophobicContact CZ-CZ3 4.43Å; C233-W240 HydrophobicContact CB-CE3 4.04Å; C233-W240 HydrophobicContact CB-CZ3 4.47Å; C233-W240 WeakPolarHBondContact O-CB 3.34Å; V236-W240 HydrophobicContact CB-CD2 4.17Å; V236-W240 HydrophobicContact CB-CE3 3.65Å; V236-W240 HydrophobicContact CB-CZ3 4.19Å; V236-W240 HydrophobicContact CG1-CD2 4.13Å; V236-W240 HydrophobicContact CG1-CE3 3.83Å; V236-W240 HydrophobicContact CG1-CZ3 4.07Å; V236-W240 HydrophobicContact CG2-CE3 3.76Å; V236-W240 HydrophobicContact CG2-CZ3 3.95Å; C237-W240 PolarHBondContact O-N 3.38Å; C237-W240 VanDerWaalsContact SG-CG 3.58Å; C237-W240 PolarHBondContact SG-N 3.2Å; S238-W240 VanDerWaalsContact C-N 3.32Å; S238-W240 PolarHBondContact O-N 3.14Å; W240-D242 VanDerWaalsContact C-N 3.29Å; W240-D242 PolarHBondContact O-N 2.81Å; W240-L243 PolarHBondContact O-N 3.37Å; W240-V244 WeakPolarHBondContact O-CB 3.4Å; W240-V244 VanDerWaalsContact O-CG2 3.3Å; W240-V244 WeakPolarHBondContact O-CG2 3.49Å; W240-V244 PolarHBondContact O-N 3.17Å
241	S	93.4	Very high	93.5	Very high	25 Å²	25	60 Å²	60	18%	0.175	33%	0.325	C	S	.	.	H	α-helix	trans	-57.5	-43.3	172.8	-150.1	0	0	0	0	111.9	S234 C237 S238 K245	S234-S241 WeakPolarHBondContact O-CB 3.24Å; S234-S241 PolarHBondContact O-OG 2.94Å; C237-S241 PolarHBondContact O-N 2.93Å; S238-S241 VanDerWaalsContact O-CB 3.3Å; S238-S241 WeakPolarHBondContact O-CB 3.26Å; S238-S241 PolarHBondContact O-N 3.48Å; S238-S241 VanDerWaalsContact O-N 3.15Å; S241-K245 WeakPolarHBondContact O-CD 3.47Å; S241-K245 WeakPolarHBondContact O-CG 3.44Å; S241-K245 PolarHBondContact O-N 3.42Å
242	D	92	Very high	93.7	Very high	113 Å²	113	58.4 Å²	58.4	60%	0.604	31%	0.312	S	S	*	.	H	α-helix	trans	-70.3	-44.1	177.4	-65.6	-24.6	0	0	0	111.3	S238 A239 W240 K245	S238-D242 PolarHBondContact O-N 2.99Å; A239-D242 PolarHBondContact O-N 2.91Å; W240-D242 VanDerWaalsContact C-N 3.29Å; W240-D242 PolarHBondContact O-N 2.81Å; D242-K245 PolarHBondContact O-N 2.98Å
243	L	93.9	Very high	93.8	Very high	26 Å²	26	51 Å²	51	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-44.3	-179.9	-76.2	169.6	0	0	0	113	A215 M218 L219 F222 A239 W240 K245 T246	A215-L243 HydrophobicContact CB-CD2 3.66Å; M218-L243 HydrophobicContact CB-CD1 3.83Å; M218-L243 HydrophobicContact CG-CD1 4.26Å; L219-L243 HydrophobicContact CD1-CD2 4.42Å; L219-L243 HydrophobicContact CD2-CB 4.42Å; L219-L243 HydrophobicContact CD2-CD2 4.2Å; L219-L243 WeakPolarHBondContact CD2-O 3.42Å; L219-L243 HydrophobicContact CG-CD2 4.05Å; F222-L243 HydrophobicContact CD2-CB 4.25Å; F222-L243 HydrophobicContact CE2-CB 3.79Å; F222-L243 HydrophobicContact CE2-CD1 4.42Å; A239-L243 WeakPolarHBondContact O-CB 3.29Å; A239-L243 VanDerWaalsContact O-CG 3.25Å; A239-L243 WeakPolarHBondContact O-CG 3.3Å; A239-L243 PolarHBondContact O-N 3.45Å; W240-L243 PolarHBondContact O-N 3.37Å; L243-K245 PolarHBondContact O-N 2.67Å; L243-T246 WeakPolarHBondContact O-CB 3.37Å; L243-T246 PolarHBondContact O-N 3.49Å; L243-T246 PolarHBondContact O-OG1 3.18Å
244	V	94.6	Very high	93.8	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-31.8	177.5	166.3	0	0	0	0	111	F222 L230 C233 W240 T246 W250	F222-V244 HydrophobicContact CD2-CG2 3.92Å; F222-V244 HydrophobicContact CE2-CG2 3.81Å; F222-V244 HydrophobicContact CZ-CG2 4.34Å; L230-V244 HydrophobicContact CB-CG1 3.84Å; L230-V244 HydrophobicContact CD2-CG1 4.29Å; L230-V244 HydrophobicContact CD2-CG2 4.24Å; L230-V244 WeakPolarHBondContact O-CG1 3.3Å; C233-V244 HydrophobicContact CB-CG2 3.83Å; W240-V244 WeakPolarHBondContact O-CB 3.4Å; W240-V244 VanDerWaalsContact O-CG2 3.3Å; W240-V244 WeakPolarHBondContact O-CG2 3.49Å; W240-V244 PolarHBondContact O-N 3.17Å; V244-T246 PolarHBondContact O-N 3.04Å; V244-W250 HydrophobicContact CG1-CZ2 4.2Å; V244-W250 PolarHBondContact O-NE1 3.37Å
245	K	91.9	Very high	93.8	Very high	77 Å²	77	49.3 Å²	49.3	34%	0.335	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	14.7	175	-66.6	171.7	-173.4	165.3	0	112.9	S241 D242 L243 G247 T334 V335	S241-K245 WeakPolarHBondContact O-CD 3.47Å; S241-K245 WeakPolarHBondContact O-CG 3.44Å; S241-K245 PolarHBondContact O-N 3.42Å; D242-K245 PolarHBondContact O-N 2.98Å; L243-K245 PolarHBondContact O-N 2.67Å; K245-G247 PolarHBondContact O-N 3.34Å; K245-T334 HydrophobicContact CB-CG2 3.9Å; K245-T334 HydrophobicContact CD-CG2 4.37Å; K245-V335 HydrophobicContact CB-CG1 4.4Å; K245-V335 VanDerWaalsContact O-CG1 3.31Å; K245-V335 WeakPolarHBondContact O-CG1 3.38Å
246	T	93.1	Very high	93.6	Very high	46 Å²	46	42.1 Å²	42.1	28%	0.282	24%	0.237	S	C	.	.			trans	-73.9	123.9	168.1	-54.5	0	0	0	0	108.9	L219 L243 V244 S248 L249	L219-T246 HydrophobicContact CD1-CG2 4.01Å; L219-T246 HydrophobicContact CD2-CG2 4.01Å; L219-T246 WeakPolarHBondContact CD2-OG1 3.28Å; L243-T246 WeakPolarHBondContact O-CB 3.37Å; L243-T246 PolarHBondContact O-N 3.49Å; L243-T246 PolarHBondContact O-OG1 3.18Å; V244-T246 PolarHBondContact O-N 3.04Å; T246-S248 WeakPolarHBondContact CG2-OG 3.43Å; T246-S248 PolarHBondContact O-N 3.46Å; T246-L249 PolarHBondContact O-N 3.26Å; T246-L249 VanDerWaalsContact O-N 3.08Å
247	G	88.8	Confident	93.4	Very high	8 Å²	8	41.6 Å²	41.6	8%	0.082	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-62.7	-16	-171.6	0	0	0	0	0	115.7	K245 L249 W250 S338	K245-G247 PolarHBondContact O-N 3.34Å; G247-L249 PolarHBondContact O-N 2.66Å; G247-W250 PolarHBondContact O-N 2.75Å; G247-W250 VanDerWaalsContact O-N 3.12Å; G247-S338 VanDerWaalsContact C-CB 3.46Å; G247-S338 VanDerWaalsContact CA-CB 3.42Å; G247-S338 WeakPolarHBondContact CA-OG 3.33Å; G247-S338 VanDerWaalsContact O-CB 3.3Å; G247-S338 WeakPolarHBondContact O-CB 3.2Å
248	S	92.1	Very high	93.4	Very high	58 Å²	58	40 Å²	40	41%	0.406	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-61.5	-24.1	173.2	56.7	0	0	0	0	113.7	T246	T246-S248 WeakPolarHBondContact CG2-OG 3.43Å; T246-S248 PolarHBondContact O-N 3.46Å
249	L	94.7	Very high	93.2	Very high	18 Å²	18	35.5 Å²	35.5	9%	0.094	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-85	-13.6	178.2	-60.2	173	0	0	0	113	L219 F222 H223 L230 T246 G247	L219-L249 HydrophobicContact CD2-CD1 3.97Å; L219-L249 HydrophobicContact CD2-CG 4.42Å; F222-L249 HydrophobicContact CB-CD1 3.75Å; F222-L249 HydrophobicContact CB-CD2 3.96Å; F222-L249 HydrophobicContact CD2-CD1 4.29Å; H223-L249 HydrophobicContact CB-CD2 4.17Å; L230-L249 HydrophobicContact CD1-CB 4.2Å; L230-L249 HydrophobicContact CD2-CD1 4.06Å; T246-L249 PolarHBondContact O-N 3.26Å; T246-L249 VanDerWaalsContact O-N 3.08Å; G247-L249 PolarHBondContact O-N 2.66Å
250	W	96.1	Very high	92.9	Very high	9 Å²	9	36.2 Å²	36.2	3%	0.034	17%	0.173	C	C	.	.			trans	-123.6	42.3	-171.9	-59.6	96	0	0	0	111.4	P227 L230 V244 G247 L253 W258 L331 V335 V339	P227-W250 HydrophobicContact CB-CH2 3.92Å; P227-W250 HydrophobicContact CB-CZ3 3.67Å; L230-W250 HydrophobicContact CB-CH2 4.22Å; L230-W250 HydrophobicContact CB-CZ2 3.83Å; L230-W250 HydrophobicContact CD1-CH2 4.31Å; L230-W250 HydrophobicContact CD1-CZ2 3.93Å; V244-W250 HydrophobicContact CG1-CZ2 4.2Å; V244-W250 PolarHBondContact O-NE1 3.37Å; G247-W250 PolarHBondContact O-N 2.75Å; G247-W250 VanDerWaalsContact O-N 3.12Å; W250-L253 HydrophobicContact CB-CD1 4.25Å; W250-L253 WeakPolarHBondContact O-CD1 3.2Å; W250-W258 HydrophobicContact CE3-CH2 4.16Å; W250-W258 AromaticContact CZ3-CH2 3.99Å; W250-W258 HydrophobicContact CZ3-CH2 3.99Å; W250-W258 HydrophobicContact CZ3-CZ3 4.22Å; W250-L331 HydrophobicContact CD2-CD1 3.83Å; W250-L331 HydrophobicContact CD2-CD2 3.87Å; W250-L331 HydrophobicContact CD2-CG 4.39Å; W250-L331 HydrophobicContact CE3-CD1 4.3Å; W250-L331 HydrophobicContact CE3-CD2 3.49Å; W250-L331 VanDerWaalsContact CE3-CD2 3.49Å; W250-L331 HydrophobicContact CE3-CG 4.47Å; W250-L331 HydrophobicContact CG-CD1 4.16Å; W250-L331 HydrophobicContact CH2-CD1 4.46Å; W250-L331 HydrophobicContact CH2-CD2 4.16Å; W250-L331 HydrophobicContact CZ2-CD1 4.03Å; W250-L331 HydrophobicContact CZ3-CD2 3.64Å; W250-V335 HydrophobicContact CB-CB 4.15Å; W250-V335 HydrophobicContact CB-CG2 3.77Å; W250-V335 HydrophobicContact CG-CB 4.39Å; W250-V335 HydrophobicContact CG-CG1 4.33Å; W250-V335 HydrophobicContact CG-CG2 4.07Å; W250-V339 WeakPolarHBondContact O-CG2 3.43Å
251	R	95.8	Very high	92.6	Very high	127 Å²	127	35.8 Å²	35.8	48%	0.479	18%	0.183	S	C	.	.	S	Bend	trans	-76	-33.4	-178.1	-68.3	179.3	66.6	172.7	-0.8	112.6	K340 S341	R251-K340 HydrophobicContact CB-CG 4.47Å; R251-K340 WeakPolarHBondContact O-CA 3.29Å; R251-K340 WeakPolarHBondContact O-CB 3.4Å; R251-K340 PolarHBondContact O-N 2.86Å; R251-S341 PolarHBondContact O-N 3.15Å
252	H	96.3	Very high	92.3	Very high	29 Å²	29	37.9 Å²	37.9	13%	0.134	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	118.4	-174.9	-50.5	-71.4	0	0	0	109.6	Y254 G266 S341	H252-Y254 HydrophobicContact CB-CE2 3.78Å; H252-G266 WeakPolarHBondContact CB-O 3.25Å; H252-G266 VanDerWaalsContact CG-O 3.31Å; H252-S341 WeakPolarHBondContact ND1-CB 3.49Å; H252-S341 PolarHBondContact ND1-OG 2.89Å
253	L	96.5	Very high	92.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.1	-174.6	-82	63.6	0	0	0	109.6	W250 P255 W258 I327 L332 V339 S341 M342 I343	W250-L253 HydrophobicContact CB-CD1 4.25Å; W250-L253 WeakPolarHBondContact O-CD1 3.2Å; L253-P255 VanDerWaalsContact C-CD 3.48Å; L253-W258 HydrophobicContact CB-CH2 4.04Å; L253-W258 HydrophobicContact CB-CZ3 4.46Å; L253-W258 HydrophobicContact CD1-CH2 4.44Å; L253-W258 HydrophobicContact CG-CH2 3.69Å; L253-W258 HydrophobicContact CG-CZ3 4.13Å; L253-I327 HydrophobicContact CD2-CG2 4.09Å; L253-L332 HydrophobicContact CD2-CD2 3.79Å; L253-V339 HydrophobicContact CD1-CG1 4.19Å; L253-V339 HydrophobicContact CD1-CG2 4.03Å; L253-V339 HydrophobicContact CD2-CG2 4.33Å; L253-S341 PolarHBondContact N-O 3.33Å; L253-M342 HydrophobicContact CB-CE 3.95Å; L253-M342 HydrophobicContact CB-SD 4.09Å; L253-M342 HydrophobicContact CD2-CE 3.59Å; L253-M342 HydrophobicContact CG-CE 4.38Å; L253-I343 PolarHBondContact O-N 3.36Å
254	Y	95.5	Very high	92	Very high	10 Å²	10	39 Å²	39	4%	0.039	19%	0.187	C	C	.	.			trans	-126.9	61.2	177.3	-58.8	-99.3	0	0	0	111.2	H252 V256 R257 W258 Y264 G266 P268 I343	H252-Y254 HydrophobicContact CB-CE2 3.78Å; Y254-V256 PolarHBondContact O-N 3.07Å; Y254-R257 PolarHBondContact O-N 3.22Å; Y254-W258 VanDerWaalsContact O-CD1 3.28Å; Y254-W258 PolarHBondContact O-N 3.25Å; Y254-Y264 HydrophobicContact CD1-CD1 4.48Å; Y254-Y264 AromaticContact CD2-CD1 3.87Å; Y254-Y264 HydrophobicContact CD2-CD1 3.87Å; Y254-Y264 WeakPolarHBondContact CD2-O 3.41Å; Y254-Y264 HydrophobicContact CE1-CD1 4.14Å; Y254-Y264 HydrophobicContact CE1-CE1 4.34Å; Y254-Y264 AromaticContact CE2-CD1 3.52Å; Y254-Y264 HydrophobicContact CE2-CD1 3.52Å; Y254-Y264 AromaticContact CE2-CE1 3.79Å; Y254-Y264 HydrophobicContact CE2-CE1 3.79Å; Y254-Y264 HydrophobicContact CG-CD1 4.37Å; Y254-Y264 AromaticContact CZ-CD1 3.69Å; Y254-Y264 AromaticContact CZ-CE1 3.67Å; Y254-G266 WeakPolarHBondContact CE2-O 3.42Å; Y254-G266 PolarHBondContact OH-O 2.72Å; Y254-P268 VanDerWaalsContact OH-CA 3.24Å; Y254-P268 WeakPolarHBondContact OH-CA 3.49Å; Y254-P268 VanDerWaalsContact OH-N 3.07Å; Y254-I343 HydrophobicContact CD1-CB 3.6Å; Y254-I343 HydrophobicContact CD1-CG1 3.75Å; Y254-I343 HydrophobicContact CD1-CG2 3.98Å; Y254-I343 HydrophobicContact CE1-CB 3.83Å; Y254-I343 HydrophobicContact CE1-CG1 3.42Å; Y254-I343 VanDerWaalsContact CE1-CG1 3.42Å; Y254-I343 HydrophobicContact CE1-CG2 4.2Å; Y254-I343 HydrophobicContact CG-CB 4.39Å
255	P	94.1	Very high	91.6	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-54	-35.6	-171.8	-26.3	36.4	0	0	0	113.7	L253 W258 A259 L323 L324 I327 M342 I343 L344	L253-P255 VanDerWaalsContact C-CD 3.48Å; P255-W258 PolarHBondContact O-N 3.42Å; P255-A259 VanDerWaalsContact O-CB 3.29Å; P255-A259 WeakPolarHBondContact O-CB 3.26Å; P255-A259 PolarHBondContact O-N 2.77Å; P255-L323 WeakPolarHBondContact O-CD2 3.46Å; P255-L324 HydrophobicContact CB-CD2 3.48Å; P255-L324 VanDerWaalsContact CB-CD2 3.48Å; P255-L324 HydrophobicContact CB-CG 4.01Å; P255-L324 HydrophobicContact CG-CD2 3.82Å; P255-I327 HydrophobicContact CB-CD1 4Å; P255-I327 HydrophobicContact CG-CD1 3.91Å; P255-M342 HydrophobicContact CG-SD 4.11Å; P255-I343 WeakPolarHBondContact CD-O 3.41Å; P255-L344 HydrophobicContact CB-CD2 4.17Å; P255-L344 HydrophobicContact CG-CD2 3.85Å
256	V	90.8	Very high	91.4	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.024	20%	0.198	C	C	.	.	H	α-helix	trans	-69.9	-37.8	-178.2	-172.7	0	0	0	0	112	Y254 R260 L344	Y254-V256 PolarHBondContact O-N 3.07Å; V256-R260 PolarHBondContact O-NH1 3.05Å; V256-L344 HydrophobicContact CG2-CD2 4.18Å
257	R	90.1	Very high	91.2	Very high	81 Å²	81	40.2 Å²	40.2	31%	0.306	21%	0.209	S	C	.	.	H	α-helix	trans	-71.5	-43.7	172.5	-67.7	177.4	67.7	178.2	1	111.1	Y254 A259 R260 G261 D262	Y254-R257 PolarHBondContact O-N 3.22Å; R257-A259 VanDerWaalsContact C-N 3.29Å; R257-A259 PolarHBondContact O-N 3.23Å; R257-R260 CarbonylContact O-C 3.53Å; R257-R260 WeakPolarHBondContact O-CA 3.4Å; R257-R260 WeakPolarHBondContact O-CB 3.43Å; R257-R260 PolarHBondContact O-N 2.93Å; R257-G261 PolarHBondContact O-N 2.99Å; R257-D262 CarbonylContact C-O 3.56Å; R257-D262 HydrophobicContact CB-CB 4.23Å; R257-D262 IonicContact CZ-OD1 3.36Å; R257-D262 IonicContact CZ-OD2 3.55Å; R257-D262 IonicContact NE-OD1 3.23Å; R257-D262 IonicContact NE-OD2 3.93Å; R257-D262 PolarHBondContact NE-OD2 3.34Å; R257-D262 IonicContact NH2-OD1 3.54Å; R257-D262 PolarHBondContact NH2-OD1 3.14Å; R257-D262 IonicContact NH2-OD2 3.33Å; R257-D262 PolarHBondContact NH2-OD2 3.02Å; R257-D262 PolarHBondContact O-N 2.9Å
258	W	92.4	Very high	91	Very high	14 Å²	14	41.6 Å²	41.6	5%	0.053	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-39.1	179.6	-63.8	-5.3	0	0	0	112.1	P227 W250 L253 Y254 P255 R260 G261 D262 Y263 Y264 L323 I327	P227-W258 HydrophobicContact CB-CD2 4.37Å; P227-W258 HydrophobicContact CB-CE3 4.43Å; P227-W258 HydrophobicContact CB-CH2 4.09Å; P227-W258 HydrophobicContact CB-CZ2 4.09Å; P227-W258 HydrophobicContact CB-CZ3 4.29Å; P227-W258 HydrophobicContact CG-CD2 4Å; P227-W258 HydrophobicContact CG-CG 4.34Å; P227-W258 HydrophobicContact CG-CH2 4.44Å; P227-W258 HydrophobicContact CG-CZ2 3.96Å; W250-W258 HydrophobicContact CE3-CH2 4.16Å; W250-W258 AromaticContact CZ3-CH2 3.99Å; W250-W258 HydrophobicContact CZ3-CH2 3.99Å; W250-W258 HydrophobicContact CZ3-CZ3 4.22Å; L253-W258 HydrophobicContact CB-CH2 4.04Å; L253-W258 HydrophobicContact CB-CZ3 4.46Å; L253-W258 HydrophobicContact CD1-CH2 4.44Å; L253-W258 HydrophobicContact CG-CH2 3.69Å; L253-W258 HydrophobicContact CG-CZ3 4.13Å; Y254-W258 VanDerWaalsContact O-CD1 3.28Å; Y254-W258 PolarHBondContact O-N 3.25Å; P255-W258 PolarHBondContact O-N 3.42Å; W258-R260 PolarHBondContact O-N 3.03Å; W258-R260 VanDerWaalsContact O-N 3.13Å; W258-G261 PolarHBondContact O-N 3.13Å; W258-G261 VanDerWaalsContact O-N 3.14Å; W258-D262 WeakPolarHBondContact CA-O 3.44Å; W258-D262 VanDerWaalsContact CD1-O 3.25Å; W258-D262 PolarHBondContact N-O 3.31Å; W258-Y263 HydrophobicContact CB-CD1 4.26Å; W258-Y263 HydrophobicContact CG-CD1 4.44Å; W258-Y263 WeakPolarHBondContact O-CE1 3.29Å; W258-Y264 PolarHBondContact NE1-O 2.89Å; W258-L323 HydrophobicContact CB-CD2 3.61Å; W258-I327 HydrophobicContact CE3-CD1 3.92Å; W258-I327 HydrophobicContact CZ3-CD1 3.84Å
259	A	89.3	Confident	89.9	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.008	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-6.8	173.4	0	0	0	0	0	113.6	P255 R257 R319 E320 L323	P255-A259 VanDerWaalsContact O-CB 3.29Å; P255-A259 WeakPolarHBondContact O-CB 3.26Å; P255-A259 PolarHBondContact O-N 2.77Å; R257-A259 VanDerWaalsContact C-N 3.29Å; R257-A259 PolarHBondContact O-N 3.23Å; A259-R319 PolarHBondContact O-NE 3.25Å; A259-R319 PolarHBondContact O-NH2 2.92Å; A259-E320 VanDerWaalsContact CB-CA 3.48Å; A259-E320 HydrophobicContact CB-CB 3.73Å; A259-E320 HydrophobicContact CB-CG 4.06Å; A259-L323 HydrophobicContact CB-CD2 4.05Å
260	R	85.4	Confident	87.9	Confident	65 Å²	65	51.4 Å²	51.4	25%	0.245	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	5	176	-69.8	173.7	177.4	72.5	0.6	112.8	V256 R257 W258 E286 T316 E320	V256-R260 PolarHBondContact O-NH1 3.05Å; R257-R260 CarbonylContact O-C 3.53Å; R257-R260 WeakPolarHBondContact O-CA 3.4Å; R257-R260 WeakPolarHBondContact O-CB 3.43Å; R257-R260 PolarHBondContact O-N 2.93Å; W258-R260 PolarHBondContact O-N 3.03Å; W258-R260 VanDerWaalsContact O-N 3.13Å; R260-E286 IonicContact CZ-OE2 3.8Å; R260-E286 IonicContact NE-OE2 3.51Å; R260-E286 PolarHBondContact NE-OE2 3.31Å; R260-E286 IonicContact NH2-OE2 3.83Å; R260-E286 PolarHBondContact NH2-OE2 2.74Å; R260-T316 HydrophobicContact CG-CG2 3.7Å; R260-E320 IonicContact CZ-OE2 3.88Å; R260-E320 IonicContact NH1-OE2 3.01Å; R260-E320 PolarHBondContact NH1-OE2 3.3Å; R260-E320 IonicContact NH2-OE2 3.47Å; R260-E320 PolarHBondContact NH2-OE2 3.27Å
261	G	86.9	Confident	85.4	Confident	37 Å²	37	56.4 Å²	56.4	38%	0.381	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-0.1	177.2	0	0	0	0	0	114.6	R257 W258 Y263	R257-G261 PolarHBondContact O-N 2.99Å; W258-G261 PolarHBondContact O-N 3.13Å; W258-G261 VanDerWaalsContact O-N 3.14Å; G261-Y263 WeakPolarHBondContact O-CD2 3.41Å; G261-Y263 WeakPolarHBondContact O-CE2 3.38Å
262	D	87.3	Confident	82.9	Confident	68 Å²	68	55.9 Å²	55.9	36%	0.364	29%	0.294	S	S	.	.			trans	-91.6	106.4	171.9	174.7	1.1	0	0	0	108.8	R257 W258 Y264	R257-D262 CarbonylContact C-O 3.56Å; R257-D262 HydrophobicContact CB-CB 4.23Å; R257-D262 IonicContact CZ-OD1 3.36Å; R257-D262 IonicContact CZ-OD2 3.55Å; R257-D262 IonicContact NE-OD1 3.23Å; R257-D262 IonicContact NE-OD2 3.93Å; R257-D262 PolarHBondContact NE-OD2 3.34Å; R257-D262 IonicContact NH2-OD1 3.54Å; R257-D262 PolarHBondContact NH2-OD1 3.14Å; R257-D262 IonicContact NH2-OD2 3.33Å; R257-D262 PolarHBondContact NH2-OD2 3.02Å; R257-D262 PolarHBondContact O-N 2.9Å; W258-D262 WeakPolarHBondContact CA-O 3.44Å; W258-D262 VanDerWaalsContact CD1-O 3.25Å; W258-D262 PolarHBondContact N-O 3.31Å; D262-Y264 PolarHBondContact O-N 3.38Å; D262-Y264 PolarHBondContact OD1-N 3.22Å
263	Y	90.6	Very high	80.6	Confident	109 Å²	109	62.2 Å²	62.2	43%	0.427	32%	0.323	S	S	.	.			trans	-96.9	30.3	-171.5	-57.3	-60.3	0	0	0	114.1	P227 V228 W258 G261 S265	P227-Y263 WeakPolarHBondContact CD-O 3.31Å; P227-Y263 HydrophobicContact CG-CD1 4.24Å; V228-Y263 HydrophobicContact CG2-CD1 3.56Å; V228-Y263 HydrophobicContact CG2-CD2 4.3Å; V228-Y263 HydrophobicContact CG2-CE1 3.26Å; V228-Y263 HydrophobicContact CG2-CE2 4.04Å; V228-Y263 HydrophobicContact CG2-CG 4.08Å; W258-Y263 HydrophobicContact CB-CD1 4.26Å; W258-Y263 HydrophobicContact CG-CD1 4.44Å; W258-Y263 WeakPolarHBondContact O-CE1 3.29Å; G261-Y263 WeakPolarHBondContact O-CD2 3.41Å; G261-Y263 WeakPolarHBondContact O-CE2 3.38Å; Y263-S265 PolarHBondContact O-N 2.77Å
264	Y	88.9	Confident	78.6	Confident	55 Å²	55	66.6 Å²	66.6	22%	0.216	35%	0.347	C	S	.	.			trans	-52.7	133.4	174.3	-174.4	-95.9	0	0	0	112.5	Y254 W258 D262 G266 P267	Y254-Y264 HydrophobicContact CD1-CD1 4.48Å; Y254-Y264 AromaticContact CD2-CD1 3.87Å; Y254-Y264 HydrophobicContact CD2-CD1 3.87Å; Y254-Y264 WeakPolarHBondContact CD2-O 3.41Å; Y254-Y264 HydrophobicContact CE1-CD1 4.14Å; Y254-Y264 HydrophobicContact CE1-CE1 4.34Å; Y254-Y264 AromaticContact CE2-CD1 3.52Å; Y254-Y264 HydrophobicContact CE2-CD1 3.52Å; Y254-Y264 AromaticContact CE2-CE1 3.79Å; Y254-Y264 HydrophobicContact CE2-CE1 3.79Å; Y254-Y264 HydrophobicContact CG-CD1 4.37Å; Y254-Y264 AromaticContact CZ-CD1 3.69Å; Y254-Y264 AromaticContact CZ-CE1 3.67Å; W258-Y264 PolarHBondContact NE1-O 2.89Å; D262-Y264 PolarHBondContact O-N 3.38Å; D262-Y264 PolarHBondContact OD1-N 3.22Å; Y264-G266 WeakPolarHBondContact CE1-O 3.39Å; Y264-P267 PolarHBondContact OH-O 3.04Å
265	S	87	Confident	77	Confident	51 Å²	51	68 Å²	68	36%	0.357	36%	0.357	S	S	.	.			trans	-138.2	12.9	-178.8	52.6	0	0	0	0	113.2	Y263	Y263-S265 PolarHBondContact O-N 2.77Å
266	G	87.8	Confident	75.5	Confident	21 Å²	21	73.1 Å²	73.1	22%	0.216	38%	0.384	C	S	.	.	S	Bend	trans	-74.9	176.6	174.7	0	0	0	0	0	113	H252 Y254 Y264	H252-G266 WeakPolarHBondContact CB-O 3.25Å; H252-G266 VanDerWaalsContact CG-O 3.31Å; Y254-G266 WeakPolarHBondContact CE2-O 3.42Å; Y254-G266 PolarHBondContact OH-O 2.72Å; Y264-G266 WeakPolarHBondContact CE1-O 3.39Å
267	P	89	Confident	74.3	Confident	78 Å²	78	77 Å²	77	51%	0.506	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-62.2	154.2	172.8	29.1	-34.5	0	0	0	111.2	Y264 E269	Y264-P267 PolarHBondContact OH-O 3.04Å; P267-E269 PolarHBondContact O-N 3.43Å
268	P	84.8	Confident	73.1	Confident	37 Å²	37	78.4 Å²	78.4	24%	0.24	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-54.7	130	171.6	-20.8	31.9	0	0	0	110.1	Y254 S341 I343 H367	Y254-P268 VanDerWaalsContact OH-CA 3.24Å; Y254-P268 WeakPolarHBondContact OH-CA 3.49Å; Y254-P268 VanDerWaalsContact OH-N 3.07Å; P268-S341 VanDerWaalsContact CD-OG 3.32Å; P268-S341 WeakPolarHBondContact CD-OG 3.03Å; P268-S341 VanDerWaalsContact CG-OG 3.27Å; P268-S341 WeakPolarHBondContact CG-OG 3.28Å; P268-I343 HydrophobicContact CG-CD1 4.47Å; P268-H367 HydrophobicContact CG-CB 4.25Å
269	E	68.3	Low	72.1	Confident	119 Å²	119	83.1 Å²	83.1	56%	0.556	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-77.5	143.4	171.1	-68.9	175.6	-173.7	0	0	108.7	P267 L271	P267-E269 PolarHBondContact O-N 3.43Å; E269-L271 HydrophobicContact CB-CD1 4.08Å; E269-L271 HydrophobicContact CB-CG 3.84Å; E269-L271 PolarHBondContact O-N 2.85Å
270	D	52.1	Low	71.1	Confident	164 Å²	164	83.3 Å²	83.3	88%	0.877	44%	0.438	S	S	*	.			trans	-70.8	73	172.2	-64.2	-36.9	0	0	0	108.8
271	L	43.9	Very low	70.3	Confident	113 Å²	113	84.7 Å²	84.7	59%	0.592	45%	0.446	S	S	*	.			trans	-103.5	85.6	177.2	-65.3	175.3	0	0	0	108.6	E269 Q273	E269-L271 HydrophobicContact CB-CD1 4.08Å; E269-L271 HydrophobicContact CB-CG 3.84Å; E269-L271 PolarHBondContact O-N 2.85Å; L271-Q273 PolarHBondContact O-N 2.91Å
272	D	44.8	Very low	69.6	Low	116 Å²	116	85.8 Å²	85.8	62%	0.62	45%	0.447	S	S	*	.			trans	-68.2	14.5	162.9	-66.4	-38.5	0	0	0	112.3	D274	D272-D274 PolarHBondContact O-N 2.72Å
273	Q	47.3	Very low	68.7	Low	162 Å²	162	83.7 Å²	83.7	76%	0.757	43%	0.434	S	S	*	.			trans	-89.6	106	174.1	-70.4	-175.1	17.9	0	0	108.4	L271	L271-Q273 PolarHBondContact O-N 2.91Å
274	D	53.8	Low	67.7	Low	93 Å²	93	81.3 Å²	81.3	50%	0.497	43%	0.427	S	S	.	.			trans	-47.8	126.7	161.3	-83.3	-39	0	0	0	108.3	D272 R691	D272-D274 PolarHBondContact O-N 2.72Å; D274-R691 IonicContact OD1-CZ 2.88Å; D274-R691 IonicContact OD1-NH1 3.56Å; D274-R691 PolarHBondContact OD1-NH1 3.26Å; D274-R691 IonicContact OD1-NH2 3.76Å; D274-R691 PolarHBondContact OD1-NH2 3.23Å; D274-R691 IonicContact OD2-CZ 3.14Å; D274-R691 IonicContact OD2-NH1 3.25Å; D274-R691 IonicContact OD2-NH2 2.82Å; D274-R691 PolarHBondContact OD2-NH2 3.25Å
275	P	62.1	Low	66.7	Low	38 Å²	38	82.7 Å²	82.7	25%	0.247	44%	0.438	C	S	.	.			trans	-60.1	145.8	179.4	21.7	-29.8	0	0	0	110	D277 W279 V280 Y346	P275-D277 PolarHBondContact O-N 3.1Å; P275-W279 HydrophobicContact CB-CD2 4.14Å; P275-W279 HydrophobicContact CB-CE3 3.54Å; P275-W279 HydrophobicContact CB-CH2 4.24Å; P275-W279 HydrophobicContact CB-CZ3 3.63Å; P275-W279 HydrophobicContact CG-CE3 3.9Å; P275-W279 HydrophobicContact CG-CH2 4.34Å; P275-W279 HydrophobicContact CG-CZ3 3.59Å; P275-V280 HydrophobicContact CB-CG2 4.26Å; P275-V280 HydrophobicContact CG-CG2 3.81Å; P275-Y346 VanDerWaalsContact CD-OH 3.3Å; P275-Y346 WeakPolarHBondContact CD-OH 3.25Å; P275-Y346 HydrophobicContact CG-CE1 4.3Å; P275-Y346 HydrophobicContact CG-CE2 3.73Å; P275-Y346 VanDerWaalsContact CG-CZ 3.48Å; P275-Y346 WeakPolarHBondContact CG-OH 3.1Å
276	D	62.8	Low	65.9	Low	109 Å²	109	81.9 Å²	81.9	58%	0.583	43%	0.429	S	S	*	.			trans	-45.1	135.2	-179.2	-171.2	-18	0	0	0	111.7	D278 W279 V280	D276-D278 PolarHBondContact O-N 2.77Å; D276-D278 VanDerWaalsContact O-N 3.11Å; D276-D278 PolarHBondContact OD1-N 3.25Å; D276-W279 HydrophobicContact CB-CB 4.32Å; D276-W279 WeakPolarHBondContact O-CA 3.46Å; D276-W279 VanDerWaalsContact O-CB 3.29Å; D276-W279 WeakPolarHBondContact O-CB 3.12Å; D276-W279 PolarHBondContact O-N 3.23Å; D276-V280 PolarHBondContact O-N 3.45Å
277	D	65.2	Low	64.9	Low	86 Å²	86	81.3 Å²	81.3	46%	0.46	42%	0.422	S	S	.	.	H	α-helix	trans	-51.3	-35.5	179.5	-82.3	-15.3	0	0	0	112.3	P275 V280 K281 F690	P275-D277 PolarHBondContact O-N 3.1Å; D277-V280 PolarHBondContact O-N 3.15Å; D277-K281 WeakPolarHBondContact O-CB 3.25Å; D277-K281 VanDerWaalsContact O-CG 3.26Å; D277-K281 WeakPolarHBondContact O-CG 3.32Å; D277-K281 PolarHBondContact O-N 3.44Å; D277-F690 WeakPolarHBondContact OD1-CE2 3.46Å
278	D	66.3	Low	63.9	Low	111 Å²	111	83.4 Å²	83.4	59%	0.594	42%	0.42	S	S	*	.	H	α-helix	trans	-68.6	-37.7	177.6	-76.8	-14.2	0	0	0	111.8	D276 S282	D276-D278 PolarHBondContact O-N 2.77Å; D276-D278 VanDerWaalsContact O-N 3.11Å; D276-D278 PolarHBondContact OD1-N 3.25Å; D278-S282 WeakPolarHBondContact O-CB 3.48Å; D278-S282 PolarHBondContact O-N 2.89Å
279	W	70.4	Confident	63	Low	112 Å²	112	82.8 Å²	82.8	42%	0.424	42%	0.418	S	S	.	.	H	α-helix	trans	-68.2	-40.9	174.9	-176.4	100.8	0	0	0	111.5	P275 D276 S282 R283 Y346	P275-W279 HydrophobicContact CB-CD2 4.14Å; P275-W279 HydrophobicContact CB-CE3 3.54Å; P275-W279 HydrophobicContact CB-CH2 4.24Å; P275-W279 HydrophobicContact CB-CZ3 3.63Å; P275-W279 HydrophobicContact CG-CE3 3.9Å; P275-W279 HydrophobicContact CG-CH2 4.34Å; P275-W279 HydrophobicContact CG-CZ3 3.59Å; D276-W279 HydrophobicContact CB-CB 4.32Å; D276-W279 WeakPolarHBondContact O-CA 3.46Å; D276-W279 VanDerWaalsContact O-CB 3.29Å; D276-W279 WeakPolarHBondContact O-CB 3.12Å; D276-W279 PolarHBondContact O-N 3.23Å; W279-S282 WeakPolarHBondContact O-CB 3.31Å; W279-S282 PolarHBondContact O-N 3.47Å; W279-R283 HydrophobicContact CD2-CG 4.15Å; W279-R283 HydrophobicContact CE3-CG 3.79Å; W279-R283 HydrophobicContact CH2-CG 4.33Å; W279-R283 VanDerWaalsContact CZ2-CZ 3.46Å; W279-R283 HydrophobicContact CZ3-CG 3.86Å; W279-R283 VanDerWaalsContact O-CG 3.31Å; W279-R283 WeakPolarHBondContact O-CG 3.32Å; W279-R283 PolarHBondContact O-N 2.97Å; W279-Y346 AromaticContact CH2-CD2 3.87Å; W279-Y346 HydrophobicContact CH2-CD2 3.87Å; W279-Y346 HydrophobicContact CH2-CE2 4.29Å; W279-Y346 HydrophobicContact CH2-CG 4.32Å; W279-Y346 HydrophobicContact CZ3-CD1 4.17Å; W279-Y346 AromaticContact CZ3-CD2 3.64Å; W279-Y346 HydrophobicContact CZ3-CD2 3.64Å; W279-Y346 HydrophobicContact CZ3-CE1 4.33Å; W279-Y346 AromaticContact CZ3-CE2 3.87Å; W279-Y346 HydrophobicContact CZ3-CE2 3.87Å; W279-Y346 AromaticContact CZ3-CG 3.84Å; W279-Y346 HydrophobicContact CZ3-CG 3.84Å
280	V	68.2	Low	62.9	Low	5 Å²	5	78.9 Å²	78.9	3%	0.03	40%	0.399	C	S	.	.	H	α-helix	trans	-65.7	-44	176.7	177.6	0	0	0	0	110.9	P275 D276 D277 S282 R283 Q284 Y346 F690	P275-V280 HydrophobicContact CB-CG2 4.26Å; P275-V280 HydrophobicContact CG-CG2 3.81Å; D276-V280 PolarHBondContact O-N 3.45Å; D277-V280 PolarHBondContact O-N 3.15Å; V280-S282 VanDerWaalsContact C-N 3.31Å; V280-S282 PolarHBondContact O-N 3.11Å; V280-R283 WeakPolarHBondContact O-CB 3.28Å; V280-R283 PolarHBondContact O-N 3.03Å; V280-R283 VanDerWaalsContact O-N 3.17Å; V280-Q284 PolarHBondContact O-N 3.03Å; V280-Y346 HydrophobicContact CB-CE1 4.45Å; V280-Y346 HydrophobicContact CG1-CD1 4.31Å; V280-Y346 HydrophobicContact CG1-CE1 3.95Å; V280-Y346 HydrophobicContact CG2-CD1 4.5Å; V280-Y346 HydrophobicContact CG2-CE1 3.78Å; V280-F690 HydrophobicContact CB-CE2 4.33Å; V280-F690 HydrophobicContact CG1-CD1 4.28Å; V280-F690 HydrophobicContact CG1-CD2 3.85Å; V280-F690 HydrophobicContact CG1-CE1 4.44Å; V280-F690 HydrophobicContact CG1-CE2 4.04Å; V280-F690 HydrophobicContact CG1-CG 3.97Å; V280-F690 HydrophobicContact CG1-CZ 4.32Å
281	K	68.5	Low	63.5	Low	95 Å²	95	77.6 Å²	77.6	41%	0.413	39%	0.387	S	S	.	.	H	α-helix	trans	-59.7	-42	174.4	-77.1	169.7	-172.1	159.1	0	111.7	D277 R283 Q284 N285 F690	D277-K281 WeakPolarHBondContact O-CB 3.25Å; D277-K281 VanDerWaalsContact O-CG 3.26Å; D277-K281 WeakPolarHBondContact O-CG 3.32Å; D277-K281 PolarHBondContact O-N 3.44Å; K281-R283 VanDerWaalsContact C-N 3.34Å; K281-R283 PolarHBondContact O-N 3.1Å; K281-Q284 PolarHBondContact O-N 3.15Å; K281-N285 WeakPolarHBondContact O-CB 3.43Å; K281-N285 PolarHBondContact O-N 3.18Å; K281-N285 PolarHBondContact O-ND2 3.47Å; K281-F690 HydrophobicContact CD-CZ 4.44Å; K281-F690 HydrophobicContact CG-CE1 3.71Å; K281-F690 HydrophobicContact CG-CZ 3.77Å
282	S	71.5	Confident	64.5	Low	59 Å²	59	79.5 Å²	79.5	41%	0.413	39%	0.393	S	S	.	.	H	α-helix	trans	-58.2	-46.4	174.7	-169.9	0	0	0	0	111.3	D278 W279 V280 Q284 N285 E286	D278-S282 WeakPolarHBondContact O-CB 3.48Å; D278-S282 PolarHBondContact O-N 2.89Å; W279-S282 WeakPolarHBondContact O-CB 3.31Å; W279-S282 PolarHBondContact O-N 3.47Å; V280-S282 VanDerWaalsContact C-N 3.31Å; V280-S282 PolarHBondContact O-N 3.11Å; S282-Q284 PolarHBondContact O-N 3.44Å; S282-N285 PolarHBondContact O-N 3.02Å; S282-E286 WeakPolarHBondContact O-CG 3.47Å; S282-E286 PolarHBondContact O-N 3.48Å
283	R	70.3	Confident	65.3	Low	25 Å²	25	78.1 Å²	78.1	9%	0.094	38%	0.379	C	S	.	.	H	α-helix	trans	-59.6	-43.8	176.8	-68	-90	-154.2	142.8	1.1	112.6	W279 V280 K281 E286 G287 A345 Y346	W279-R283 HydrophobicContact CD2-CG 4.15Å; W279-R283 HydrophobicContact CE3-CG 3.79Å; W279-R283 HydrophobicContact CH2-CG 4.33Å; W279-R283 VanDerWaalsContact CZ2-CZ 3.46Å; W279-R283 HydrophobicContact CZ3-CG 3.86Å; W279-R283 VanDerWaalsContact O-CG 3.31Å; W279-R283 WeakPolarHBondContact O-CG 3.32Å; W279-R283 PolarHBondContact O-N 2.97Å; V280-R283 WeakPolarHBondContact O-CB 3.28Å; V280-R283 PolarHBondContact O-N 3.03Å; V280-R283 VanDerWaalsContact O-N 3.17Å; K281-R283 VanDerWaalsContact C-N 3.34Å; K281-R283 PolarHBondContact O-N 3.1Å; R283-E286 WeakPolarHBondContact O-CB 3.37Å; R283-E286 PolarHBondContact O-N 3.43Å; R283-G287 PolarHBondContact O-N 3.46Å; R283-A345 PolarHBondContact NH1-O 2.82Å; R283-Y346 VanDerWaalsContact NH1-CB 3.32Å; R283-Y346 PolarHBondContact NH1-O 3.17Å
284	Q	68.3	Low	65.7	Low	58 Å²	58	75.2 Å²	75.2	27%	0.271	37%	0.369	S	S	.	.	H	α-helix	trans	-69.3	-37.3	178.9	-71.4	-176.2	-17	0	0	112.3	V280 K281 S282 E286 G287 R288	V280-Q284 PolarHBondContact O-N 3.03Å; K281-Q284 PolarHBondContact O-N 3.15Å; S282-Q284 PolarHBondContact O-N 3.44Å; Q284-E286 VanDerWaalsContact C-N 3.32Å; Q284-G287 PolarHBondContact O-N 3.03Å; Q284-R288 PolarHBondContact O-N 3.24Å
285	N	68.8	Low	65.6	Low	84 Å²	84	76.1 Å²	76.1	45%	0.449	37%	0.371	S	S	.	.	H	α-helix	trans	-61.6	-41.8	172.8	-70.8	-18.4	0	0	0	111.1	K281 S282 G287 R288 A289	K281-N285 WeakPolarHBondContact O-CB 3.43Å; K281-N285 PolarHBondContact O-N 3.18Å; K281-N285 PolarHBondContact O-ND2 3.47Å; S282-N285 PolarHBondContact O-N 3.02Å; N285-G287 VanDerWaalsContact C-N 3.34Å; N285-G287 PolarHBondContact O-N 3.29Å; N285-R288 PolarHBondContact O-N 2.85Å; N285-R288 PolarHBondContact OD1-NH2 3.19Å; N285-A289 VanDerWaalsContact O-CB 3.3Å; N285-A289 WeakPolarHBondContact O-CB 3.3Å; N285-A289 PolarHBondContact O-N 2.94Å
286	E	70.3	Confident	65.2	Low	35 Å²	35	79.7 Å²	79.7	16%	0.164	39%	0.387	C	S	.	.	H	α-helix	trans	-60	-43.7	173.1	-70.6	175.5	-169.7	0	0	112	R260 S282 R283 Q284 Y290 A313	R260-E286 IonicContact CZ-OE2 3.8Å; R260-E286 IonicContact NE-OE2 3.51Å; R260-E286 PolarHBondContact NE-OE2 3.31Å; R260-E286 IonicContact NH2-OE2 3.83Å; R260-E286 PolarHBondContact NH2-OE2 2.74Å; S282-E286 WeakPolarHBondContact O-CG 3.47Å; S282-E286 PolarHBondContact O-N 3.48Å; R283-E286 WeakPolarHBondContact O-CB 3.37Å; R283-E286 PolarHBondContact O-N 3.43Å; Q284-E286 VanDerWaalsContact C-N 3.32Å; E286-Y290 PolarHBondContact O-N 3.29Å; E286-Y290 VanDerWaalsContact O-N 3.08Å; E286-A313 HydrophobicContact CB-CB 4.1Å; E286-A313 HydrophobicContact CG-CB 3.81Å
287	G	65.5	Low	64.8	Low	8 Å²	8	76.7 Å²	76.7	8%	0.082	38%	0.378	C	S	.	.	H	α-helix	trans	-63.9	-45.7	177.6	0	0	0	0	0	113.6	R283 Q284 N285 Y290 Q291	R283-G287 PolarHBondContact O-N 3.46Å; Q284-G287 PolarHBondContact O-N 3.03Å; N285-G287 VanDerWaalsContact C-N 3.34Å; N285-G287 PolarHBondContact O-N 3.29Å; G287-Y290 PolarHBondContact O-N 3.16Å; G287-Q291 WeakPolarHBondContact O-CG 3.28Å; G287-Q291 PolarHBondContact O-N 2.58Å
288	R	68.9	Low	64.1	Low	122 Å²	122	79.8 Å²	79.8	46%	0.46	39%	0.394	S	S	.	.	H	α-helix	trans	-61.3	-47.1	175.1	-77.1	-167.7	-73.7	-124.7	0	111.7	Q284 N285 Y290 Q291 E292	Q284-R288 PolarHBondContact O-N 3.24Å; N285-R288 PolarHBondContact O-N 2.85Å; N285-R288 PolarHBondContact OD1-NH2 3.19Å; R288-Y290 PolarHBondContact O-N 3.22Å; R288-Q291 PolarHBondContact O-N 3.21Å; R288-Q291 VanDerWaalsContact O-N 3.14Å; R288-E292 WeakPolarHBondContact O-CB 3.49Å; R288-E292 WeakPolarHBondContact O-CG 3.21Å; R288-E292 PolarHBondContact O-N 3.01Å
289	A	65.3	Low	63.3	Low	24 Å²	24	79.7 Å²	79.7	20%	0.198	40%	0.398	C	S	.	.	H	α-helix	trans	-58.1	-34.8	177.4	0	0	0	0	0	112.3	N285 W293 A313	N285-A289 VanDerWaalsContact O-CB 3.3Å; N285-A289 WeakPolarHBondContact O-CB 3.3Å; N285-A289 PolarHBondContact O-N 2.94Å; A289-W293 WeakPolarHBondContact O-CB 3.35Å; A289-W293 PolarHBondContact O-N 3.2Å; A289-A313 HydrophobicContact CB-CB 4.14Å
290	Y	67.4	Low	62	Low	37 Å²	37	80.1 Å²	80.1	15%	0.145	41%	0.408	C	S	.	.	H	α-helix	trans	-75.2	-39.3	175.9	-174.1	-107.8	0	0	0	113.3	E286 G287 R288 W293 A317 Q318 K321 T349	E286-Y290 PolarHBondContact O-N 3.29Å; E286-Y290 VanDerWaalsContact O-N 3.08Å; G287-Y290 PolarHBondContact O-N 3.16Å; R288-Y290 PolarHBondContact O-N 3.22Å; Y290-W293 HydrophobicContact CE2-CE3 4.41Å; Y290-W293 WeakPolarHBondContact O-CB 3.36Å; Y290-W293 PolarHBondContact O-N 3.32Å; Y290-A317 HydrophobicContact CD1-CB 4.27Å; Y290-A317 HydrophobicContact CD2-CB 3.48Å; Y290-A317 VanDerWaalsContact CD2-CB 3.48Å; Y290-A317 HydrophobicContact CE2-CB 4.08Å; Y290-A317 HydrophobicContact CG-CB 3.61Å; Y290-Q318 HydrophobicContact CE2-CG 4.13Å; Y290-K321 WeakPolarHBondContact OH-CD 2.97Å; Y290-K321 PolarHBondContact OH-NZ 2.92Å; Y290-T349 HydrophobicContact CD1-CG2 4.27Å; Y290-T349 HydrophobicContact CE1-CG2 4.14Å
291	Q	64.2	Low	61.2	Low	137 Å²	137	89.2 Å²	89.2	64%	0.64	45%	0.45	S	S	*	.	H	α-helix	trans	-70.8	-33.3	178.3	-73.1	176	-13.9	0	0	113	G287 R288 W293	G287-Q291 WeakPolarHBondContact O-CG 3.28Å; G287-Q291 PolarHBondContact O-N 2.58Å; R288-Q291 PolarHBondContact O-N 3.21Å; R288-Q291 VanDerWaalsContact O-N 3.14Å; Q291-W293 VanDerWaalsContact C-N 3.28Å
292	E	64.7	Low	60.1	Low	153 Å²	153	88.3 Å²	88.3	72%	0.715	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.9	177.2	-66.5	173.1	-174.3	0	0	112.4	R288 D294	R288-E292 WeakPolarHBondContact O-CB 3.49Å; R288-E292 WeakPolarHBondContact O-CG 3.21Å; R288-E292 PolarHBondContact O-N 3.01Å; E292-D294 PolarHBondContact O-N 2.95Å
293	W	61.5	Low	58.6	Low	87 Å²	87	92.3 Å²	92.3	33%	0.33	47%	0.473	S	S	.	.			trans	-75.1	107.7	179.8	-173.8	49.5	0	0	0	110.4	A289 Y290 Q291 E295 I314	A289-W293 WeakPolarHBondContact O-CB 3.35Å; A289-W293 PolarHBondContact O-N 3.2Å; Y290-W293 HydrophobicContact CE2-CE3 4.41Å; Y290-W293 WeakPolarHBondContact O-CB 3.36Å; Y290-W293 PolarHBondContact O-N 3.32Å; Q291-W293 VanDerWaalsContact C-N 3.28Å; W293-E295 HydrophobicContact CE3-CG 4.21Å; W293-E295 HydrophobicContact CH2-CG 4.44Å; W293-E295 HydrophobicContact CZ3-CG 3.93Å; W293-E295 PolarHBondContact O-N 3.44Å; W293-I314 HydrophobicContact CB-CD1 4.17Å; W293-I314 HydrophobicContact CB-CG1 4.34Å; W293-I314 HydrophobicContact CD2-CD1 4.46Å; W293-I314 HydrophobicContact CD2-CG2 3.81Å; W293-I314 HydrophobicContact CE3-CG2 3.99Å; W293-I314 HydrophobicContact CG-CD1 3.81Å; W293-I314 HydrophobicContact CG-CG1 4.24Å; W293-I314 HydrophobicContact CG-CG2 4.23Å; W293-I314 HydrophobicContact CZ2-CG2 4.45Å; W293-I314 HydrophobicContact CZ3-CG2 4.42Å
294	D	56.1	Low	57.4	Low	101 Å²	101	96.3 Å²	96.3	54%	0.54	51%	0.511	S	S	.	.			trans	-73.9	110.7	172.5	-169.5	-6.9	0	0	0	109.6	E292 D296 A297	E292-D294 PolarHBondContact O-N 2.95Å; D294-D296 PolarHBondContact O-N 3.25Å; D294-D296 PolarHBondContact OD1-N 3.46Å; D294-D296 VanDerWaalsContact OD1-N 3.12Å; D294-A297 HydrophobicContact CB-CB 4.34Å; D294-A297 WeakPolarHBondContact O-CB 3.17Å; D294-A297 PolarHBondContact O-N 3.32Å; D294-A297 VanDerWaalsContact O-N 3.13Å
295	E	51.3	Low	56.6	Low	113 Å²	113	98.4 Å²	98.4	53%	0.528	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.2	177.9	-70.8	-165.1	163.8	0	0	112.4	W293	W293-E295 HydrophobicContact CE3-CG 4.21Å; W293-E295 HydrophobicContact CH2-CG 4.44Å; W293-E295 HydrophobicContact CZ3-CG 3.93Å; W293-E295 PolarHBondContact O-N 3.44Å
296	D	54.1	Low	55.4	Low	112 Å²	112	97.1 Å²	97.1	60%	0.599	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-3.6	179.1	-73.9	-26.8	0	0	0	113.6	D294 D298	D294-D296 PolarHBondContact O-N 3.25Å; D294-D296 PolarHBondContact OD1-N 3.46Å; D294-D296 VanDerWaalsContact OD1-N 3.12Å; D296-D298 PolarHBondContact O-N 3.16Å; D296-D298 VanDerWaalsContact O-N 3.13Å
297	A	54.4	Low	54.3	Low	46 Å²	46	103.8 Å²	103.8	38%	0.38	57%	0.57	S	S	.	*			trans	-73.1	104.8	172.4	0	0	0	0	0	109.5	D294 V299	D294-A297 HydrophobicContact CB-CB 4.34Å; D294-A297 WeakPolarHBondContact O-CB 3.17Å; D294-A297 PolarHBondContact O-N 3.32Å; D294-A297 VanDerWaalsContact O-N 3.13Å; A297-V299 HydrophobicContact CB-CG2 4.42Å; A297-V299 PolarHBondContact O-N 3.24Å
298	D	49.9	Very low	53.6	Low	152 Å²	152	109.3 Å²	109.3	81%	0.813	60%	0.602	S	S	*	*			trans	-64	72.6	171.7	37.9	-22.6	0	0	0	111.2	D296 D300	D296-D298 PolarHBondContact O-N 3.16Å; D296-D298 VanDerWaalsContact O-N 3.13Å; D298-D300 PolarHBondContact O-N 2.79Å
299	V	49.2	Very low	52.7	Low	109 Å²	109	111.7 Å²	111.7	66%	0.661	62%	0.618	S	S	*	*			trans	-74.1	107.2	171.5	175.8	0	0	0	0	108.1	A297 E301	A297-V299 HydrophobicContact CB-CG2 4.42Å; A297-V299 PolarHBondContact O-N 3.24Å; V299-E301 PolarHBondContact O-N 2.87Å
300	D	43.3	Very low	52.1	Low	121 Å²	121	112.2 Å²	112.2	65%	0.647	63%	0.626	S	S	*	*			trans	-62.7	112.7	167.8	-167.9	-17.9	0	0	0	108.9	D298 S302	D298-D300 PolarHBondContact O-N 2.79Å; D300-S302 PolarHBondContact O-N 3.4Å; D300-S302 WeakPolarHBondContact OD1-CB 3.42Å; D300-S302 PolarHBondContact OD1-N 2.94Å; D300-S302 PolarHBondContact OD1-OG 3.44Å; D300-S302 PolarHBondContact OD2-OG 3.1Å
301	E	52.6	Low	51.9	Low	195 Å²	195	114.4 Å²	114.4	91%	0.911	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	10.2	178.9	-68.7	-171.6	164.5	0	0	113.6	V299	V299-E301 PolarHBondContact O-N 2.87Å
302	S	44.8	Very low	52	Low	77 Å²	77	113.3 Å²	113.3	54%	0.538	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.6	-10.6	-175.4	61.5	0	0	0	0	116.4	D300 A304	D300-S302 PolarHBondContact O-N 3.4Å; D300-S302 WeakPolarHBondContact OD1-CB 3.42Å; D300-S302 PolarHBondContact OD1-N 2.94Å; D300-S302 PolarHBondContact OD1-OG 3.44Å; D300-S302 PolarHBondContact OD2-OG 3.1Å; S302-A304 PolarHBondContact O-N 3.49Å
303	D	39.5	Very low	52.1	Low	142 Å²	142	106.5 Å²	106.5	76%	0.759	62%	0.615	S	S	*	*			trans	-99.9	82	177.8	-85.8	-20.9	0	0	0	112.9	S305	D303-S305 PolarHBondContact O-N 3.33Å
304	A	46.3	Very low	52.4	Low	110 Å²	110	103.7 Å²	103.7	91%	0.909	61%	0.606	S	S	*	*			trans	-73.4	36.7	171.5	0	0	0	0	0	113.8	S302	S302-A304 PolarHBondContact O-N 3.49Å
305	S	50.1	Low	53.4	Low	102 Å²	102	101.2 Å²	101.2	71%	0.713	60%	0.596	S	S	*	*	S	Bend	trans	-152.4	87.8	175.9	60.6	0	0	0	0	112.2	D303	D303-S305 PolarHBondContact O-N 3.33Å
306	G	45.2	Very low	54.7	Low	57 Å²	57	96.2 Å²	96.2	59%	0.588	57%	0.574	S	S	*	*	S	Bend	trans	164.6	-25.3	163.3	0	0	0	0	0	120
307	H	45.3	Very low	56	Low	175 Å²	175	90.9 Å²	90.9	81%	0.81	55%	0.545	S	S	*	.			trans	-135.1	75.7	-174.9	-69.8	-65.1	0	0	0	112.6
308	T	50.8	Low	57.4	Low	123 Å²	123	91.6 Å²	91.6	76%	0.755	54%	0.541	S	S	*	.	H	α-helix	trans	-82.7	-26.6	-166	-36.5	0	0	0	0	114.5
309	E	50.5	Low	59.2	Low	173 Å²	173	89.7 Å²	89.7	81%	0.808	52%	0.522	S	S	*	.	H	α-helix	trans	-88	-45.8	-176.3	-73.7	-177.3	167.3	0	0	113.9	S311 L312 A313	E309-S311 PolarHBondContact O-N 3.36Å; E309-L312 PolarHBondContact O-N 2.8Å; E309-A313 PolarHBondContact O-N 3.23Å; E309-A313 VanDerWaalsContact O-N 3.1Å
310	G	53.7	Low	61.2	Low	35 Å²	35	84.5 Å²	84.5	36%	0.361	49%	0.49	S	S	.	.	H	α-helix	trans	-63.4	-40.1	179.8	0	0	0	0	0	113.2	A313 I314	G310-A313 PolarHBondContact O-N 3.21Å; G310-I314 VanDerWaalsContact O-CD1 3.32Å; G310-I314 WeakPolarHBondContact O-CD1 3.38Å; G310-I314 WeakPolarHBondContact O-CG1 3.49Å; G310-I314 PolarHBondContact O-N 2.57Å
311	S	62.3	Low	63.3	Low	82 Å²	82	82.6 Å²	82.6	57%	0.573	48%	0.476	S	S	*	.	H	α-helix	trans	-64.3	-41.1	177.5	-179.4	0	0	0	0	112.4	E309 S315	E309-S311 PolarHBondContact O-N 3.36Å; S311-S315 WeakPolarHBondContact O-CB 3.32Å; S311-S315 PolarHBondContact O-N 3.27Å
312	L	65.9	Low	65.2	Low	115 Å²	115	81.3 Å²	81.3	60%	0.602	46%	0.463	S	S	*	.	H	α-helix	trans	-68.3	-41.7	179	-174.8	64.9	0	0	0	111.8	E309 S315 T316	E309-L312 PolarHBondContact O-N 2.8Å; L312-S315 PolarHBondContact O-N 3.2Å; L312-S315 PolarHBondContact O-OG 3.11Å; L312-T316 PolarHBondContact O-N 3.15Å; L312-T316 PolarHBondContact O-OG1 2.89Å
313	A	66.5	Low	67.4	Low	10 Å²	10	80.3 Å²	80.3	8%	0.083	45%	0.451	C	S	.	.	H	α-helix	trans	-59.1	-49.8	175	0	0	0	0	0	112.3	E286 A289 E309 G310 S315 T316 A317	E286-A313 HydrophobicContact CB-CB 4.1Å; E286-A313 HydrophobicContact CG-CB 3.81Å; A289-A313 HydrophobicContact CB-CB 4.14Å; E309-A313 PolarHBondContact O-N 3.23Å; E309-A313 VanDerWaalsContact O-N 3.1Å; G310-A313 PolarHBondContact O-N 3.21Å; A313-S315 VanDerWaalsContact C-N 3.33Å; A313-S315 PolarHBondContact O-N 3.35Å; A313-T316 PolarHBondContact O-N 3.46Å; A313-T316 VanDerWaalsContact O-N 3.14Å; A313-A317 PolarHBondContact O-N 2.83Å
314	I	69.4	Low	70.1	Confident	28 Å²	28	73.5 Å²	73.5	14%	0.144	42%	0.415	C	S	.	.	H	α-helix	trans	-60.2	-44.8	178	-66.2	161.3	0	0	0	110.4	W293 G310 T316 A317 Q318	W293-I314 HydrophobicContact CB-CD1 4.17Å; W293-I314 HydrophobicContact CB-CG1 4.34Å; W293-I314 HydrophobicContact CD2-CD1 4.46Å; W293-I314 HydrophobicContact CD2-CG2 3.81Å; W293-I314 HydrophobicContact CE3-CG2 3.99Å; W293-I314 HydrophobicContact CG-CD1 3.81Å; W293-I314 HydrophobicContact CG-CG1 4.24Å; W293-I314 HydrophobicContact CG-CG2 4.23Å; W293-I314 HydrophobicContact CZ2-CG2 4.45Å; W293-I314 HydrophobicContact CZ3-CG2 4.42Å; G310-I314 VanDerWaalsContact O-CD1 3.32Å; G310-I314 WeakPolarHBondContact O-CD1 3.38Å; G310-I314 WeakPolarHBondContact O-CG1 3.49Å; G310-I314 PolarHBondContact O-N 2.57Å; I314-T316 PolarHBondContact O-N 3.2Å; I314-A317 PolarHBondContact O-N 3.42Å; I314-Q318 HydrophobicContact CG2-CG 4.4Å; I314-Q318 WeakPolarHBondContact O-CB 3.43Å; I314-Q318 VanDerWaalsContact O-CG 3.3Å; I314-Q318 WeakPolarHBondContact O-CG 3.35Å; I314-Q318 PolarHBondContact O-N 2.74Å
315	S	76.5	Confident	72.3	Confident	48 Å²	48	70.5 Å²	70.5	34%	0.336	38%	0.384	S	S	.	.	H	α-helix	trans	-61.6	-33.9	178.2	80.5	0	0	0	0	112.9	S311 L312 A313 R319	S311-S315 WeakPolarHBondContact O-CB 3.32Å; S311-S315 PolarHBondContact O-N 3.27Å; L312-S315 PolarHBondContact O-N 3.2Å; L312-S315 PolarHBondContact O-OG 3.11Å; A313-S315 VanDerWaalsContact C-N 3.33Å; A313-S315 PolarHBondContact O-N 3.35Å; S315-R319 WeakPolarHBondContact O-CB 3.47Å; S315-R319 PolarHBondContact O-N 3.43Å
316	T	79	Confident	74.5	Confident	9 Å²	9	66.9 Å²	66.9	6%	0.055	36%	0.363	C	S	.	.	H	α-helix	trans	-73.2	-46.3	179.5	-60.8	0	0	0	0	111.1	R260 L312 A313 I314 Q318 R319 E320	R260-T316 HydrophobicContact CG-CG2 3.7Å; L312-T316 PolarHBondContact O-N 3.15Å; L312-T316 PolarHBondContact O-OG1 2.89Å; A313-T316 PolarHBondContact O-N 3.46Å; A313-T316 VanDerWaalsContact O-N 3.14Å; I314-T316 PolarHBondContact O-N 3.2Å; T316-Q318 PolarHBondContact O-N 3.36Å; T316-R319 WeakPolarHBondContact O-CB 3.26Å; T316-R319 PolarHBondContact O-N 3.38Å; T316-R319 VanDerWaalsContact O-N 3.16Å; T316-E320 PolarHBondContact O-N 3.47Å
317	A	81.6	Confident	76.9	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.1	-45.4	174.3	0	0	0	0	0	111.6	Y290 A313 I314 R319 E320 K321 T349	Y290-A317 HydrophobicContact CD1-CB 4.27Å; Y290-A317 HydrophobicContact CD2-CB 3.48Å; Y290-A317 VanDerWaalsContact CD2-CB 3.48Å; Y290-A317 HydrophobicContact CE2-CB 4.08Å; Y290-A317 HydrophobicContact CG-CB 3.61Å; A313-A317 PolarHBondContact O-N 2.83Å; I314-A317 PolarHBondContact O-N 3.42Å; A317-R319 VanDerWaalsContact C-N 3.29Å; A317-R319 PolarHBondContact O-N 3.31Å; A317-E320 WeakPolarHBondContact O-CB 3.47Å; A317-E320 PolarHBondContact O-N 2.97Å; A317-E320 VanDerWaalsContact O-N 3.16Å; A317-K321 PolarHBondContact O-N 2.9Å; A317-T349 HydrophobicContact CB-CG2 3.71Å; A317-T349 WeakPolarHBondContact O-CG2 3.36Å
318	Q	83.2	Confident	79.3	Confident	61 Å²	61	56.7 Å²	56.7	29%	0.285	30%	0.3	S	S	.	.	H	α-helix	trans	-60.9	-36.8	174.8	-72.1	176.3	-4.2	0	0	112.7	Y290 I314 T316 R322	Y290-Q318 HydrophobicContact CE2-CG 4.13Å; I314-Q318 HydrophobicContact CG2-CG 4.4Å; I314-Q318 WeakPolarHBondContact O-CB 3.43Å; I314-Q318 VanDerWaalsContact O-CG 3.3Å; I314-Q318 WeakPolarHBondContact O-CG 3.35Å; I314-Q318 PolarHBondContact O-N 2.74Å; T316-Q318 PolarHBondContact O-N 3.36Å; Q318-R322 WeakPolarHBondContact O-CB 3.49Å; Q318-R322 VanDerWaalsContact O-CG 3.28Å; Q318-R322 WeakPolarHBondContact O-CG 3.3Å; Q318-R322 PolarHBondContact O-N 3.31Å; Q318-R322 VanDerWaalsContact O-N 3.09Å; Q318-R322 PolarHBondContact O-NE 3.41Å
319	R	86.8	Confident	81.4	Confident	111 Å²	111	56.5 Å²	56.5	42%	0.419	29%	0.291	S	S	.	.	H	α-helix	trans	-67.9	-40.9	175.2	-172.6	167.5	62.1	-166.6	-1.7	111.3	A259 S315 T316 A317 R322 L323	A259-R319 PolarHBondContact O-NE 3.25Å; A259-R319 PolarHBondContact O-NH2 2.92Å; S315-R319 WeakPolarHBondContact O-CB 3.47Å; S315-R319 PolarHBondContact O-N 3.43Å; T316-R319 WeakPolarHBondContact O-CB 3.26Å; T316-R319 PolarHBondContact O-N 3.38Å; T316-R319 VanDerWaalsContact O-N 3.16Å; A317-R319 VanDerWaalsContact C-N 3.29Å; A317-R319 PolarHBondContact O-N 3.31Å; R319-R322 PolarHBondContact O-N 3.1Å; R319-L323 VanDerWaalsContact O-CB 3.29Å; R319-L323 WeakPolarHBondContact O-CB 3.17Å; R319-L323 PolarHBondContact O-N 3.21Å
320	E	91	Very high	83.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-52.6	174.8	-169.5	-174.8	114.9	0	0	111.9	A259 R260 T316 A317 R322 L323 L324 S347 T349	A259-E320 VanDerWaalsContact CB-CA 3.48Å; A259-E320 HydrophobicContact CB-CB 3.73Å; A259-E320 HydrophobicContact CB-CG 4.06Å; R260-E320 IonicContact CZ-OE2 3.88Å; R260-E320 IonicContact NH1-OE2 3.01Å; R260-E320 PolarHBondContact NH1-OE2 3.3Å; R260-E320 IonicContact NH2-OE2 3.47Å; R260-E320 PolarHBondContact NH2-OE2 3.27Å; T316-E320 PolarHBondContact O-N 3.47Å; A317-E320 WeakPolarHBondContact O-CB 3.47Å; A317-E320 PolarHBondContact O-N 2.97Å; A317-E320 VanDerWaalsContact O-N 3.16Å; E320-R322 VanDerWaalsContact C-N 3.33Å; E320-R322 PolarHBondContact O-N 3.45Å; E320-L323 PolarHBondContact O-N 3.3Å; E320-L323 VanDerWaalsContact O-N 3.17Å; E320-L324 HydrophobicContact CG-CD1 4.02Å; E320-L324 WeakPolarHBondContact O-CB 3.38Å; E320-L324 PolarHBondContact O-N 3.21Å; E320-S347 VanDerWaalsContact OE1-CB 3.25Å; E320-S347 WeakPolarHBondContact OE1-CB 3.46Å; E320-S347 PolarHBondContact OE1-OG 2.71Å; E320-T349 WeakPolarHBondContact CG-OG1 2.79Å; E320-T349 PolarHBondContact OE1-N 3.35Å; E320-T349 PolarHBondContact OE1-OG1 2.89Å
321	K	89.3	Confident	85.5	Confident	81 Å²	81	53.9 Å²	53.9	35%	0.352	27%	0.27	S	S	.	.	H	α-helix	trans	-57.1	-44.2	176.9	-173	176.9	-176.5	177.4	0	111.9	Y290 A317 N325 T349 M354	Y290-K321 WeakPolarHBondContact OH-CD 2.97Å; Y290-K321 PolarHBondContact OH-NZ 2.92Å; A317-K321 PolarHBondContact O-N 2.9Å; K321-N325 WeakPolarHBondContact O-CB 3.39Å; K321-N325 PolarHBondContact O-N 3.14Å; K321-N325 VanDerWaalsContact O-N 3.09Å; K321-N325 PolarHBondContact O-ND2 3.13Å; K321-T349 HydrophobicContact CB-CG2 4.41Å; K321-M354 HydrophobicContact CG-CE 4.3Å
322	R	90.6	Very high	87.1	Confident	168 Å²	168	50 Å²	50	63%	0.634	24%	0.243	S	C	*	.	H	α-helix	trans	-64.5	-44.4	176.9	-77.4	-175.6	-67.5	167.3	-5.1	111.9	Q318 R319 E320 G326	Q318-R322 WeakPolarHBondContact O-CB 3.49Å; Q318-R322 VanDerWaalsContact O-CG 3.28Å; Q318-R322 WeakPolarHBondContact O-CG 3.3Å; Q318-R322 PolarHBondContact O-N 3.31Å; Q318-R322 VanDerWaalsContact O-N 3.09Å; Q318-R322 PolarHBondContact O-NE 3.41Å; R319-R322 PolarHBondContact O-N 3.1Å; E320-R322 VanDerWaalsContact C-N 3.33Å; E320-R322 PolarHBondContact O-N 3.45Å; R322-G326 PolarHBondContact O-N 3.34Å
323	L	92.9	Very high	88.6	Confident	56 Å²	56	48.2 Å²	48.2	29%	0.293	24%	0.238	S	C	.	.	H	α-helix	trans	-63.7	-47.6	179.6	-179.7	63.2	0	0	0	111.5	P255 W258 A259 R319 E320 N325 G326 I327	P255-L323 WeakPolarHBondContact O-CD2 3.46Å; W258-L323 HydrophobicContact CB-CD2 3.61Å; A259-L323 HydrophobicContact CB-CD2 4.05Å; R319-L323 VanDerWaalsContact O-CB 3.29Å; R319-L323 WeakPolarHBondContact O-CB 3.17Å; R319-L323 PolarHBondContact O-N 3.21Å; E320-L323 PolarHBondContact O-N 3.3Å; E320-L323 VanDerWaalsContact O-N 3.17Å; L323-N325 PolarHBondContact O-N 3.32Å; L323-G326 PolarHBondContact O-N 2.76Å; L323-I327 HydrophobicContact CD1-CD1 4.12Å; L323-I327 HydrophobicContact CD1-CG1 4.36Å; L323-I327 HydrophobicContact CG-CD1 3.91Å; L323-I327 WeakPolarHBondContact O-CG1 3.36Å; L323-I327 PolarHBondContact O-N 3.03Å
324	L	94.5	Very high	90	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.9	-47.4	177.5	-80.2	165	0	0	0	112	P255 E320 G326 I327 I328 L344 V350 M354	P255-L324 HydrophobicContact CB-CD2 3.48Å; P255-L324 VanDerWaalsContact CB-CD2 3.48Å; P255-L324 HydrophobicContact CB-CG 4.01Å; P255-L324 HydrophobicContact CG-CD2 3.82Å; E320-L324 HydrophobicContact CG-CD1 4.02Å; E320-L324 WeakPolarHBondContact O-CB 3.38Å; E320-L324 PolarHBondContact O-N 3.21Å; L324-G326 VanDerWaalsContact C-N 3.33Å; L324-G326 PolarHBondContact O-N 3.43Å; L324-I327 PolarHBondContact O-N 3.48Å; L324-I328 VanDerWaalsContact O-CG1 3.28Å; L324-I328 WeakPolarHBondContact O-CG1 3.34Å; L324-I328 PolarHBondContact O-N 2.93Å; L324-L344 HydrophobicContact CD2-CD2 3.68Å; L324-V350 HydrophobicContact CD1-CG2 3.44Å; L324-V350 VanDerWaalsContact CD1-CG2 3.44Å; L324-V350 HydrophobicContact CD2-CG2 4.39Å; L324-M354 HydrophobicContact CB-SD 4.41Å
325	N	94	Very high	91.2	Very high	47 Å²	47	50.3 Å²	50.3	25%	0.251	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-43	175.7	-79.8	-53.9	0	0	0	111.9	K321 L323 I327 I328 Q329	K321-N325 WeakPolarHBondContact O-CB 3.39Å; K321-N325 PolarHBondContact O-N 3.14Å; K321-N325 VanDerWaalsContact O-N 3.09Å; K321-N325 PolarHBondContact O-ND2 3.13Å; L323-N325 PolarHBondContact O-N 3.32Å; N325-I327 PolarHBondContact O-N 3.24Å; N325-I328 PolarHBondContact O-N 3.04Å; N325-Q329 WeakPolarHBondContact O-CB 3.29Å; N325-Q329 VanDerWaalsContact O-CG 3.28Å; N325-Q329 WeakPolarHBondContact O-CG 3.45Å; N325-Q329 PolarHBondContact O-N 2.85Å
326	G	94.6	Very high	92.1	Very high	26 Å²	26	48.1 Å²	48.1	27%	0.268	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-43.4	175.7	0	0	0	0	0	112.6	R322 L323 L324 Q329 H330	R322-G326 PolarHBondContact O-N 3.34Å; L323-G326 PolarHBondContact O-N 2.76Å; L324-G326 VanDerWaalsContact C-N 3.33Å; L324-G326 PolarHBondContact O-N 3.43Å; G326-Q329 PolarHBondContact O-N 3.31Å; G326-H330 WeakPolarHBondContact O-CB 3.41Å; G326-H330 PolarHBondContact O-CD2 2.9Å; G326-H330 PolarHBondContact O-N 2.76Å
327	I	95.8	Very high	92.9	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.056	26%	0.255	C	S	.	.	I	π-helix	trans	-61.3	-49	176.2	-72.4	168.9	0	0	0	110.5	L253 P255 W258 L323 L324 N325 Q329 L331 L332	L253-I327 HydrophobicContact CD2-CG2 4.09Å; P255-I327 HydrophobicContact CB-CD1 4Å; P255-I327 HydrophobicContact CG-CD1 3.91Å; W258-I327 HydrophobicContact CE3-CD1 3.92Å; W258-I327 HydrophobicContact CZ3-CD1 3.84Å; L323-I327 HydrophobicContact CD1-CD1 4.12Å; L323-I327 HydrophobicContact CD1-CG1 4.36Å; L323-I327 HydrophobicContact CG-CD1 3.91Å; L323-I327 WeakPolarHBondContact O-CG1 3.36Å; L323-I327 PolarHBondContact O-N 3.03Å; L324-I327 PolarHBondContact O-N 3.48Å; N325-I327 PolarHBondContact O-N 3.24Å; I327-Q329 PolarHBondContact O-N 3.35Å; I327-L331 HydrophobicContact CG1-CD2 4.38Å; I327-L331 HydrophobicContact CG2-CD2 4.34Å; I327-L331 WeakPolarHBondContact O-CB 3.34Å; I327-L331 PolarHBondContact O-N 3.45Å; I327-L332 HydrophobicContact CG2-CD1 4.01Å; I327-L332 HydrophobicContact CG2-CD2 4.04Å; I327-L332 HydrophobicContact CG2-CG 3.69Å; I327-L332 PolarHBondContact O-N 2.87Å
328	I	96.6	Very high	93.6	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.031	27%	0.269	C	S	.	.	I	π-helix	trans	-63.4	-40.7	-178.6	-68.4	166.4	0	0	0	111.8	L324 N325 L332 P333 M354 Q357 I358 L361	L324-I328 VanDerWaalsContact O-CG1 3.28Å; L324-I328 WeakPolarHBondContact O-CG1 3.34Å; L324-I328 PolarHBondContact O-N 2.93Å; N325-I328 PolarHBondContact O-N 3.04Å; I328-L332 HydrophobicContact CG1-CD1 4.24Å; I328-P333 VanDerWaalsContact O-CD 3.3Å; I328-P333 WeakPolarHBondContact O-CD 3.47Å; I328-M354 HydrophobicContact CD1-CB 3.79Å; I328-M354 HydrophobicContact CD1-CG 4.03Å; I328-Q357 HydrophobicContact CG2-CB 3.88Å; I328-I358 HydrophobicContact CD1-CD1 4.16Å; I328-I358 HydrophobicContact CD1-CG1 3.96Å; I328-I358 HydrophobicContact CG1-CD1 4.31Å; I328-I358 HydrophobicContact CG1-CG1 3.77Å; I328-L361 HydrophobicContact CG2-CD1 4.4Å
329	Q	95.3	Very high	94.3	Very high	119 Å²	119	49.9 Å²	49.9	56%	0.556	26%	0.255	S	S	*	.	I	π-helix	trans	-84.6	-33.7	-174.1	-67.8	179.2	14.3	0	0	113.6	N325 G326 I327	N325-Q329 WeakPolarHBondContact O-CB 3.29Å; N325-Q329 VanDerWaalsContact O-CG 3.28Å; N325-Q329 WeakPolarHBondContact O-CG 3.45Å; N325-Q329 PolarHBondContact O-N 2.85Å; G326-Q329 PolarHBondContact O-N 3.31Å; I327-Q329 PolarHBondContact O-N 3.35Å
330	H	93.9	Very high	94.8	Very high	132 Å²	132	47.4 Å²	47.4	61%	0.611	25%	0.247	S	C	*	.	I	π-helix	trans	-117.6	-26.2	-167.4	-55.1	-52.3	0	0	0	114.4	G326	G326-H330 WeakPolarHBondContact O-CB 3.41Å; G326-H330 PolarHBondContact O-CD2 2.9Å; G326-H330 PolarHBondContact O-N 2.76Å
331	L	95.3	Very high	95.1	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.11	25%	0.248	C	C	.	.	I	π-helix	trans	-102.1	-58.8	-175.6	-178.3	63.9	0	0	0	111.7	W250 I327 T334 V335	W250-L331 HydrophobicContact CD2-CD1 3.83Å; W250-L331 HydrophobicContact CD2-CD2 3.87Å; W250-L331 HydrophobicContact CD2-CG 4.39Å; W250-L331 HydrophobicContact CE3-CD1 4.3Å; W250-L331 HydrophobicContact CE3-CD2 3.49Å; W250-L331 VanDerWaalsContact CE3-CD2 3.49Å; W250-L331 HydrophobicContact CE3-CG 4.47Å; W250-L331 HydrophobicContact CG-CD1 4.16Å; W250-L331 HydrophobicContact CH2-CD1 4.46Å; W250-L331 HydrophobicContact CH2-CD2 4.16Å; W250-L331 HydrophobicContact CZ2-CD1 4.03Å; W250-L331 HydrophobicContact CZ3-CD2 3.64Å; I327-L331 HydrophobicContact CG1-CD2 4.38Å; I327-L331 HydrophobicContact CG2-CD2 4.34Å; I327-L331 WeakPolarHBondContact O-CB 3.34Å; I327-L331 PolarHBondContact O-N 3.45Å; L331-T334 PolarHBondContact O-N 2.91Å; L331-V335 HydrophobicContact CD1-CG1 3.93Å; L331-V335 HydrophobicContact CD1-CG2 3.76Å; L331-V335 HydrophobicContact CD2-CG2 4.45Å; L331-V335 HydrophobicContact CG-CG2 3.65Å; L331-V335 WeakPolarHBondContact O-CG2 3.47Å; L331-V335 PolarHBondContact O-N 3.44Å
332	L	97.1	Very high	95.4	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-33	-174.6	-64.2	-173.2	0	0	0	115.1	L253 I327 I328 T334 G336 V339 M342 I358 L361	L253-L332 HydrophobicContact CD2-CD2 3.79Å; I327-L332 HydrophobicContact CG2-CD1 4.01Å; I327-L332 HydrophobicContact CG2-CD2 4.04Å; I327-L332 HydrophobicContact CG2-CG 3.69Å; I327-L332 PolarHBondContact O-N 2.87Å; I328-L332 HydrophobicContact CG1-CD1 4.24Å; L332-T334 PolarHBondContact O-N 3.14Å; L332-T334 VanDerWaalsContact O-N 3.15Å; L332-G336 VanDerWaalsContact O-CA 3.23Å; L332-G336 WeakPolarHBondContact O-CA 3.3Å; L332-G336 PolarHBondContact O-N 2.91Å; L332-V339 HydrophobicContact CD2-CG2 3.99Å; L332-M342 HydrophobicContact CD1-CE 4.5Å; L332-M342 HydrophobicContact CD2-CE 4.49Å; L332-I358 HydrophobicContact CD1-CB 4.31Å; L332-I358 HydrophobicContact CD1-CG1 3.83Å; L332-I358 HydrophobicContact CD1-CG2 4.36Å; L332-L361 HydrophobicContact CB-CB 3.98Å; L332-L361 HydrophobicContact CB-CD1 3.7Å; L332-L361 HydrophobicContact CB-CG 4.46Å; L332-L361 HydrophobicContact CD1-CD1 4.48Å
333	P	96.6	Very high	95.7	Very high	77 Å²	77	36.9 Å²	36.9	50%	0.5	21%	0.207	S	C	.	.	H	α-helix	trans	-60.7	-24.8	175.7	-26.5	37.7	0	0	0	113.5	I328 L361	I328-P333 VanDerWaalsContact O-CD 3.3Å; I328-P333 WeakPolarHBondContact O-CD 3.47Å; P333-L361 HydrophobicContact CG-CD1 4.37Å
334	T	95.3	Very high	95.8	Very high	82 Å²	82	34.2 Å²	34.2	50%	0.503	19%	0.193	S	C	.	.	H	α-helix	trans	-98.7	-43	178.7	-48.6	0	0	0	0	112.2	K245 L331 L332	K245-T334 HydrophobicContact CB-CG2 3.9Å; K245-T334 HydrophobicContact CD-CG2 4.37Å; L331-T334 PolarHBondContact O-N 2.91Å; L332-T334 PolarHBondContact O-N 3.14Å; L332-T334 VanDerWaalsContact O-N 3.15Å
335	V	96.3	Very high	95.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-104.7	-9.3	-171	-48.2	0	0	0	0	114.5	K245 W250 L331 S337 S338 V339	K245-V335 HydrophobicContact CB-CG1 4.4Å; K245-V335 VanDerWaalsContact O-CG1 3.31Å; K245-V335 WeakPolarHBondContact O-CG1 3.38Å; W250-V335 HydrophobicContact CB-CB 4.15Å; W250-V335 HydrophobicContact CB-CG2 3.77Å; W250-V335 HydrophobicContact CG-CB 4.39Å; W250-V335 HydrophobicContact CG-CG1 4.33Å; W250-V335 HydrophobicContact CG-CG2 4.07Å; L331-V335 HydrophobicContact CD1-CG1 3.93Å; L331-V335 HydrophobicContact CD1-CG2 3.76Å; L331-V335 HydrophobicContact CD2-CG2 4.45Å; L331-V335 HydrophobicContact CG-CG2 3.65Å; L331-V335 WeakPolarHBondContact O-CG2 3.47Å; L331-V335 PolarHBondContact O-N 3.44Å; V335-S337 VanDerWaalsContact C-N 3.25Å; V335-S337 PolarHBondContact O-N 2.69Å; V335-S337 VanDerWaalsContact O-N 3.1Å; V335-S338 WeakPolarHBondContact O-CB 3.42Å; V335-S338 PolarHBondContact O-N 3Å; V335-V339 HydrophobicContact CG2-CG2 4.46Å
336	G	94.9	Very high	95.5	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.021	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-56.4	-34.5	-167.2	0	0	0	0	0	114.3	L332 S338 V339 L361 C362	L332-G336 VanDerWaalsContact O-CA 3.23Å; L332-G336 WeakPolarHBondContact O-CA 3.3Å; L332-G336 PolarHBondContact O-N 2.91Å; G336-S338 PolarHBondContact O-N 3.49Å; G336-S338 VanDerWaalsContact O-N 3.13Å; G336-V339 WeakPolarHBondContact O-CB 3.39Å; G336-V339 PolarHBondContact O-N 3.25Å; G336-V339 VanDerWaalsContact O-N 3.16Å; G336-L361 CarbonylContact C-O 3.6Å; G336-L361 VanDerWaalsContact CA-O 3.29Å; G336-L361 WeakPolarHBondContact CA-O 3.32Å; G336-C362 WeakPolarHBondContact O-CA 3.46Å
337	S	95.3	Very high	95.3	Very high	65 Å²	65	32.6 Å²	32.6	46%	0.455	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-63.2	-18.5	175.8	63.5	0	0	0	0	114.3	V335 N364	V335-S337 VanDerWaalsContact C-N 3.25Å; V335-S337 PolarHBondContact O-N 2.69Å; V335-S337 VanDerWaalsContact O-N 3.1Å; S337-N364 WeakPolarHBondContact O-CB 3.44Å; S337-N364 PolarHBondContact O-ND2 2.91Å
338	S	96.4	Very high	94.6	Very high	41 Å²	41	33.7 Å²	33.7	29%	0.287	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-99.7	-10.7	179	-56.8	0	0	0	0	113.6	G247 V335 G336 K340	G247-S338 VanDerWaalsContact C-CB 3.46Å; G247-S338 VanDerWaalsContact CA-CB 3.42Å; G247-S338 WeakPolarHBondContact CA-OG 3.33Å; G247-S338 VanDerWaalsContact O-CB 3.3Å; G247-S338 WeakPolarHBondContact O-CB 3.2Å; V335-S338 WeakPolarHBondContact O-CB 3.42Å; V335-S338 PolarHBondContact O-N 3Å; G336-S338 PolarHBondContact O-N 3.49Å; G336-S338 VanDerWaalsContact O-N 3.13Å; S338-K340 PolarHBondContact O-N 2.97Å
339	V	97.6	Very high	94.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.			trans	-64.8	129.1	177.6	177.7	0	0	0	0	109.4	W250 L253 L332 V335 G336 M342 C362 N364 I365	W250-V339 WeakPolarHBondContact O-CG2 3.43Å; L253-V339 HydrophobicContact CD1-CG1 4.19Å; L253-V339 HydrophobicContact CD1-CG2 4.03Å; L253-V339 HydrophobicContact CD2-CG2 4.33Å; L332-V339 HydrophobicContact CD2-CG2 3.99Å; V335-V339 HydrophobicContact CG2-CG2 4.46Å; G336-V339 WeakPolarHBondContact O-CB 3.39Å; G336-V339 PolarHBondContact O-N 3.25Å; G336-V339 VanDerWaalsContact O-N 3.16Å; V339-M342 HydrophobicContact CG1-CE 4.34Å; V339-C362 HydrophobicContact CB-CB 4.27Å; V339-N364 CarbonylContact O-C 3.52Å; V339-I365 HydrophobicContact CG1-CG1 4.31Å
340	K	96.8	Very high	94	Very high	59 Å²	59	28.8 Å²	28.8	26%	0.257	17%	0.166	S	C	.	.			trans	-111.2	-37	-179.6	-64.9	-60.6	178.8	-177.6	0	112.6	R251 S338 N364 T366 H367	R251-K340 HydrophobicContact CB-CG 4.47Å; R251-K340 WeakPolarHBondContact O-CA 3.29Å; R251-K340 WeakPolarHBondContact O-CB 3.4Å; R251-K340 PolarHBondContact O-N 2.86Å; S338-K340 PolarHBondContact O-N 2.97Å; K340-N364 PolarHBondContact NZ-O 3.05Å; K340-T366 HydrophobicContact CD-CG2 3.89Å; K340-T366 WeakPolarHBondContact O-CA 3.35Å; K340-T366 PolarHBondContact O-N 3.18Å; K340-T366 PolarHBondContact O-OG1 3.23Å; K340-H367 PolarHBondContact O-N 3.47Å
341	S	97.3	Very high	94	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.1	179.4	-48.8	0	0	0	0	110.4	R251 H252 L253 P268 H367	R251-S341 PolarHBondContact O-N 3.15Å; H252-S341 WeakPolarHBondContact ND1-CB 3.49Å; H252-S341 PolarHBondContact ND1-OG 2.89Å; L253-S341 PolarHBondContact N-O 3.33Å; P268-S341 VanDerWaalsContact CD-OG 3.32Å; P268-S341 WeakPolarHBondContact CD-OG 3.03Å; P268-S341 VanDerWaalsContact CG-OG 3.27Å; P268-S341 WeakPolarHBondContact CG-OG 3.28Å; S341-H367 WeakPolarHBondContact CA-O 3.41Å
342	M	97.4	Very high	94	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	106.8	174.6	178.5	64.9	63.4	0	0	108.2	L253 P255 L332 V339 L344 I358 I365 H367 L368 D369	L253-M342 HydrophobicContact CB-CE 3.95Å; L253-M342 HydrophobicContact CB-SD 4.09Å; L253-M342 HydrophobicContact CD2-CE 3.59Å; L253-M342 HydrophobicContact CG-CE 4.38Å; P255-M342 HydrophobicContact CG-SD 4.11Å; L332-M342 HydrophobicContact CD1-CE 4.5Å; L332-M342 HydrophobicContact CD2-CE 4.49Å; V339-M342 HydrophobicContact CG1-CE 4.34Å; M342-L344 HydrophobicContact CG-CD1 4Å; M342-L344 HydrophobicContact CG-CG 4.03Å; M342-L344 HydrophobicContact SD-CD1 4.36Å; M342-L344 HydrophobicContact SD-CD2 4.15Å; M342-L344 HydrophobicContact SD-CG 4.17Å; M342-I358 HydrophobicContact CE-CG2 3.68Å; M342-I358 HydrophobicContact CG-CG2 3.98Å; M342-I358 HydrophobicContact SD-CD1 4.42Å; M342-I358 HydrophobicContact SD-CG2 4.3Å; M342-I365 HydrophobicContact CB-CD1 4.08Å; M342-H367 PolarHBondContact N-O 3.13Å; M342-L368 HydrophobicContact CB-CD1 4.16Å; M342-L368 HydrophobicContact CG-CD1 4.23Å; M342-D369 PolarHBondContact O-N 3.4Å; M342-D369 VanDerWaalsContact O-N 3.15Å
343	I	96	Very high	93.9	Very high	27 Å²	27	29.6 Å²	29.6	14%	0.138	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	110.1	-175.3	-50.7	-56.4	0	0	0	109.1	L253 Y254 P255 P268 A345 D369	L253-I343 PolarHBondContact O-N 3.36Å; Y254-I343 HydrophobicContact CD1-CB 3.6Å; Y254-I343 HydrophobicContact CD1-CG1 3.75Å; Y254-I343 HydrophobicContact CD1-CG2 3.98Å; Y254-I343 HydrophobicContact CE1-CB 3.83Å; Y254-I343 HydrophobicContact CE1-CG1 3.42Å; Y254-I343 VanDerWaalsContact CE1-CG1 3.42Å; Y254-I343 HydrophobicContact CE1-CG2 4.2Å; Y254-I343 HydrophobicContact CG-CB 4.39Å; P255-I343 WeakPolarHBondContact CD-O 3.41Å; P268-I343 HydrophobicContact CG-CD1 4.47Å; I343-A345 HydrophobicContact CG2-CB 4.46Å; I343-D369 HydrophobicContact CD1-CB 3.67Å; I343-D369 HydrophobicContact CG2-CB 4.18Å
344	L	95.8	Very high	93.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.			trans	-120	15.3	-176.2	-64	174.3	0	0	0	112.2	P255 V256 L324 M342 S347 V350 V355 I358 D369 L370 T373	P255-L344 HydrophobicContact CB-CD2 4.17Å; P255-L344 HydrophobicContact CG-CD2 3.85Å; V256-L344 HydrophobicContact CG2-CD2 4.18Å; L324-L344 HydrophobicContact CD2-CD2 3.68Å; M342-L344 HydrophobicContact CG-CD1 4Å; M342-L344 HydrophobicContact CG-CG 4.03Å; M342-L344 HydrophobicContact SD-CD1 4.36Å; M342-L344 HydrophobicContact SD-CD2 4.15Å; M342-L344 HydrophobicContact SD-CG 4.17Å; L344-S347 VanDerWaalsContact O-CB 3.3Å; L344-S347 WeakPolarHBondContact O-CB 3.42Å; L344-S347 PolarHBondContact O-N 3.16Å; L344-V350 HydrophobicContact CB-CG2 4.39Å; L344-V350 HydrophobicContact CD1-CG1 4.37Å; L344-V350 HydrophobicContact CD1-CG2 4.27Å; L344-V350 HydrophobicContact CD2-CG2 4.07Å; L344-V350 HydrophobicContact CG-CG2 4.48Å; L344-V355 HydrophobicContact CD1-CG2 4.38Å; L344-I358 HydrophobicContact CD1-CD1 3.96Å; L344-D369 WeakPolarHBondContact CA-O 3.43Å; L344-D369 PolarHBondContact N-O 2.92Å; L344-L370 HydrophobicContact CB-CD2 3.99Å; L344-L370 HydrophobicContact CD1-CD2 3.82Å; L344-L370 HydrophobicContact CG-CD2 4.49Å; L344-T373 VanDerWaalsContact O-CG2 3.31Å; L344-T373 WeakPolarHBondContact O-CG2 3.39Å
345	A	91.6	Very high	94	Very high	10 Å²	10	22.8 Å²	22.8	8%	0.083	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	137	-178.3	0	0	0	0	0	113.6	R283 I343 S347 D369 T371	R283-A345 PolarHBondContact NH1-O 2.82Å; I343-A345 HydrophobicContact CG2-CB 4.46Å; A345-S347 PolarHBondContact O-N 3.36Å; A345-D369 WeakPolarHBondContact CB-OD2 3.5Å; A345-T371 CarbonylContact C-O 3.12Å; A345-T371 WeakPolarHBondContact CA-O 3.47Å
346	Y	89.6	Confident	94.1	Very high	26 Å²	26	25.8 Å²	25.8	10%	0.102	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	36.1	178.7	-49.7	-100.2	0	0	0	112.9	P275 W279 V280 R283 T371 Q372	P275-Y346 VanDerWaalsContact CD-OH 3.3Å; P275-Y346 WeakPolarHBondContact CD-OH 3.25Å; P275-Y346 HydrophobicContact CG-CE1 4.3Å; P275-Y346 HydrophobicContact CG-CE2 3.73Å; P275-Y346 VanDerWaalsContact CG-CZ 3.48Å; P275-Y346 WeakPolarHBondContact CG-OH 3.1Å; W279-Y346 AromaticContact CH2-CD2 3.87Å; W279-Y346 HydrophobicContact CH2-CD2 3.87Å; W279-Y346 HydrophobicContact CH2-CE2 4.29Å; W279-Y346 HydrophobicContact CH2-CG 4.32Å; W279-Y346 HydrophobicContact CZ3-CD1 4.17Å; W279-Y346 AromaticContact CZ3-CD2 3.64Å; W279-Y346 HydrophobicContact CZ3-CD2 3.64Å; W279-Y346 HydrophobicContact CZ3-CE1 4.33Å; W279-Y346 AromaticContact CZ3-CE2 3.87Å; W279-Y346 HydrophobicContact CZ3-CE2 3.87Å; W279-Y346 AromaticContact CZ3-CG 3.84Å; W279-Y346 HydrophobicContact CZ3-CG 3.84Å; V280-Y346 HydrophobicContact CB-CE1 4.45Å; V280-Y346 HydrophobicContact CG1-CD1 4.31Å; V280-Y346 HydrophobicContact CG1-CE1 3.95Å; V280-Y346 HydrophobicContact CG2-CD1 4.5Å; V280-Y346 HydrophobicContact CG2-CE1 3.78Å; R283-Y346 VanDerWaalsContact NH1-CB 3.32Å; R283-Y346 PolarHBondContact NH1-O 3.17Å; Y346-T371 HydrophobicContact CD2-CG2 4.45Å; Y346-T371 HydrophobicContact CE1-CG2 4.32Å; Y346-T371 HydrophobicContact CE2-CG2 3.78Å; Y346-T371 PolarHBondContact N-O 2.87Å; Y346-Q372 HydrophobicContact CD1-CB 3.51Å; Y346-Q372 HydrophobicContact CD1-CG 3.73Å; Y346-Q372 HydrophobicContact CE1-CB 3.88Å; Y346-Q372 HydrophobicContact CE1-CG 3.55Å; Y346-Q372 HydrophobicContact CG-CB 4.05Å
347	S	89.8	Confident	94.2	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.028	16%	0.157	C	C	.	.			trans	-82.2	130.4	171.6	143	0	0	0	0	110.1	E320 L344 A345 T349 V350	E320-S347 VanDerWaalsContact OE1-CB 3.25Å; E320-S347 WeakPolarHBondContact OE1-CB 3.46Å; E320-S347 PolarHBondContact OE1-OG 2.71Å; L344-S347 VanDerWaalsContact O-CB 3.3Å; L344-S347 WeakPolarHBondContact O-CB 3.42Å; L344-S347 PolarHBondContact O-N 3.16Å; A345-S347 PolarHBondContact O-N 3.36Å; S347-T349 PolarHBondContact OG-N 3.37Å; S347-V350 WeakPolarHBondContact OG-CB 3.29Å; S347-V350 WeakPolarHBondContact OG-CG2 3.28Å; S347-V350 PolarHBondContact OG-N 3.05Å
348	S	81.5	Confident	94.3	Very high	34 Å²	34	26.1 Å²	26.1	24%	0.238	14%	0.136	C	C	.	.	S	Bend	trans	-89.1	-9.7	169.8	56.3	0	0	0	0	114
349	T	87.8	Confident	94.3	Very high	14 Å²	14	24.6 Å²	24.6	9%	0.086	12%	0.124	C	C	.	.	S	Bend	trans	-111.9	-16.9	-171.6	70.9	0	0	0	0	115.3	Y290 A317 E320 K321 S347 S351	Y290-T349 HydrophobicContact CD1-CG2 4.27Å; Y290-T349 HydrophobicContact CE1-CG2 4.14Å; A317-T349 HydrophobicContact CB-CG2 3.71Å; A317-T349 WeakPolarHBondContact O-CG2 3.36Å; E320-T349 WeakPolarHBondContact CG-OG1 2.79Å; E320-T349 PolarHBondContact OE1-N 3.35Å; E320-T349 PolarHBondContact OE1-OG1 2.89Å; K321-T349 HydrophobicContact CB-CG2 4.41Å; S347-T349 PolarHBondContact OG-N 3.37Å; T349-S351 PolarHBondContact O-N 3.12Å
350	V	92.8	Very high	94.2	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.042	15%	0.149	C	C	.	.			trans	-64.4	123.4	174.6	168.3	0	0	0	0	110.1	L324 L344 S347 V355 V375	L324-V350 HydrophobicContact CD1-CG2 3.44Å; L324-V350 VanDerWaalsContact CD1-CG2 3.44Å; L324-V350 HydrophobicContact CD2-CG2 4.39Å; L344-V350 HydrophobicContact CB-CG2 4.39Å; L344-V350 HydrophobicContact CD1-CG1 4.37Å; L344-V350 HydrophobicContact CD1-CG2 4.27Å; L344-V350 HydrophobicContact CD2-CG2 4.07Å; L344-V350 HydrophobicContact CG-CG2 4.48Å; S347-V350 WeakPolarHBondContact OG-CB 3.29Å; S347-V350 WeakPolarHBondContact OG-CG2 3.28Å; S347-V350 PolarHBondContact OG-N 3.05Å; V350-V355 HydrophobicContact CG1-CG2 3.3Å; V350-V375 HydrophobicContact CG1-CG1 4.23Å
351	S	93.3	Very high	94.3	Very high	49 Å²	49	28 Å²	28	34%	0.343	15%	0.151	S	C	.	.			trans	-103.6	159.2	171	71.6	0	0	0	0	112.1	T349 K353 M354 V355	T349-S351 PolarHBondContact O-N 3.12Å; S351-K353 PolarHBondContact O-N 2.78Å; S351-K353 VanDerWaalsContact O-N 3.11Å; S351-M354 WeakPolarHBondContact O-CB 3.38Å; S351-M354 PolarHBondContact O-N 2.85Å; S351-M354 PolarHBondContact OG-N 3.32Å; S351-V355 PolarHBondContact O-N 3.45Å; S351-V355 VanDerWaalsContact O-N 3.1Å
352	S	95.7	Very high	94.2	Very high	14 Å²	14	28 Å²	28	10%	0.098	15%	0.151	C	C	.	.	H	α-helix	trans	-52.8	-34.2	174	-61.8	0	0	0	0	112.9	R356 T376 A379	S352-R356 WeakPolarHBondContact O-CB 3.42Å; S352-R356 PolarHBondContact O-N 3.5Å; S352-T376 PolarHBondContact OG-N 3.23Å; S352-T376 PolarHBondContact OG-OG1 3.36Å; S352-A379 WeakPolarHBondContact O-CA 3.44Å
353	K	94.7	Very high	94.1	Very high	110 Å²	110	31.1 Å²	31.1	48%	0.478	17%	0.171	S	C	.	.	H	α-helix	trans	-63.9	-44.9	176	-179.5	179	178.8	177.1	0	111.7	S351 R356 Q357	S351-K353 PolarHBondContact O-N 2.78Å; S351-K353 VanDerWaalsContact O-N 3.11Å; K353-R356 PolarHBondContact O-N 2.92Å; K353-Q357 WeakPolarHBondContact O-CG 3.32Å; K353-Q357 PolarHBondContact O-N 3.36Å
354	M	96.7	Very high	94	Very high	15 Å²	15	33 Å²	33	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-62.6	-47.1	177.7	-67.9	-178.9	-177.2	0	0	110.8	K321 L324 I328 S351 R356 Q357 I358	K321-M354 HydrophobicContact CG-CE 4.3Å; L324-M354 HydrophobicContact CB-SD 4.41Å; I328-M354 HydrophobicContact CD1-CB 3.79Å; I328-M354 HydrophobicContact CD1-CG 4.03Å; S351-M354 WeakPolarHBondContact O-CB 3.38Å; S351-M354 PolarHBondContact O-N 2.85Å; S351-M354 PolarHBondContact OG-N 3.32Å; M354-R356 PolarHBondContact O-N 3.43Å; M354-Q357 WeakPolarHBondContact O-CB 3.3Å; M354-Q357 PolarHBondContact O-N 3.04Å; M354-Q357 VanDerWaalsContact O-N 3.15Å; M354-I358 WeakPolarHBondContact O-CG1 3.36Å; M354-I358 PolarHBondContact O-N 2.91Å
355	V	97.9	Very high	94	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-44.6	177.6	-179.4	0	0	0	0	111	L344 V350 S351 Q357 I358 L359 L370 V375 A379	L344-V355 HydrophobicContact CD1-CG2 4.38Å; V350-V355 HydrophobicContact CG1-CG2 3.3Å; S351-V355 PolarHBondContact O-N 3.45Å; S351-V355 VanDerWaalsContact O-N 3.1Å; V355-Q357 VanDerWaalsContact C-N 3.29Å; V355-Q357 PolarHBondContact O-N 3.49Å; V355-I358 WeakPolarHBondContact O-CB 3.28Å; V355-I358 PolarHBondContact O-N 3.26Å; V355-I358 VanDerWaalsContact O-N 3.13Å; V355-L359 HydrophobicContact CG1-CD1 3.85Å; V355-L359 HydrophobicContact CG1-CG 4.05Å; V355-L359 VanDerWaalsContact O-CG 3.31Å; V355-L359 WeakPolarHBondContact O-CG 3.44Å; V355-L359 PolarHBondContact O-N 2.86Å; V355-L370 HydrophobicContact CG1-CD1 4.11Å; V355-L370 HydrophobicContact CG1-CD2 4.3Å; V355-L370 HydrophobicContact CG2-CD2 3.85Å; V355-V375 HydrophobicContact CG2-CG1 3.85Å; V355-A379 HydrophobicContact CB-CB 3.92Å; V355-A379 HydrophobicContact CG1-CB 3.9Å
356	R	97.1	Very high	94.3	Very high	62 Å²	62	33.8 Å²	33.8	23%	0.234	19%	0.185	C	C	.	.	H	α-helix	trans	-57.8	-42.7	175.4	-176.9	179.7	60.2	-108.8	9.1	112	S352 K353 M354 L359 S360 F378 A379	S352-R356 WeakPolarHBondContact O-CB 3.42Å; S352-R356 PolarHBondContact O-N 3.5Å; K353-R356 PolarHBondContact O-N 2.92Å; M354-R356 PolarHBondContact O-N 3.43Å; R356-L359 PolarHBondContact O-N 3.44Å; R356-S360 WeakPolarHBondContact O-CB 3.38Å; R356-S360 PolarHBondContact O-N 2.95Å; R356-S360 PolarHBondContact O-OG 3.49Å; R356-F378 PolarHBondContact NH1-O 3.36Å; R356-F378 VanDerWaalsContact NH2-CZ 3.31Å; R356-A379 VanDerWaalsContact CA-O 3.25Å; R356-A379 WeakPolarHBondContact CA-O 3.49Å; R356-A379 WeakPolarHBondContact CB-O 3.22Å; R356-A379 PolarHBondContact N-O 3.13Å
357	Q	97.3	Very high	94.7	Very high	73 Å²	73	34.7 Å²	34.7	34%	0.341	19%	0.19	S	C	.	.	H	α-helix	trans	-62.9	-46.6	176.3	-71.1	177.8	-67.3	0	0	110.9	I328 K353 M354 V355 L359 S360 L361	I328-Q357 HydrophobicContact CG2-CB 3.88Å; K353-Q357 WeakPolarHBondContact O-CG 3.32Å; K353-Q357 PolarHBondContact O-N 3.36Å; M354-Q357 WeakPolarHBondContact O-CB 3.3Å; M354-Q357 PolarHBondContact O-N 3.04Å; M354-Q357 VanDerWaalsContact O-N 3.15Å; V355-Q357 VanDerWaalsContact C-N 3.29Å; V355-Q357 PolarHBondContact O-N 3.49Å; Q357-L359 PolarHBondContact O-N 3.21Å; Q357-S360 WeakPolarHBondContact CA-OG 3.4Å; Q357-S360 PolarHBondContact O-N 2.94Å; Q357-S360 PolarHBondContact O-OG 2.93Å; Q357-L361 WeakPolarHBondContact O-CG 3.33Å; Q357-L361 PolarHBondContact O-N 3.09Å
358	I	97.9	Very high	95	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-56.1	-52.2	176.6	-70.2	168.9	0	0	0	110.8	I328 L332 M342 L344 M354 V355 S360 L361 C362 I365	I328-I358 HydrophobicContact CD1-CD1 4.16Å; I328-I358 HydrophobicContact CD1-CG1 3.96Å; I328-I358 HydrophobicContact CG1-CD1 4.31Å; I328-I358 HydrophobicContact CG1-CG1 3.77Å; L332-I358 HydrophobicContact CD1-CB 4.31Å; L332-I358 HydrophobicContact CD1-CG1 3.83Å; L332-I358 HydrophobicContact CD1-CG2 4.36Å; M342-I358 HydrophobicContact CE-CG2 3.68Å; M342-I358 HydrophobicContact CG-CG2 3.98Å; M342-I358 HydrophobicContact SD-CD1 4.42Å; M342-I358 HydrophobicContact SD-CG2 4.3Å; L344-I358 HydrophobicContact CD1-CD1 3.96Å; M354-I358 WeakPolarHBondContact O-CG1 3.36Å; M354-I358 PolarHBondContact O-N 2.91Å; V355-I358 WeakPolarHBondContact O-CB 3.28Å; V355-I358 PolarHBondContact O-N 3.26Å; V355-I358 VanDerWaalsContact O-N 3.13Å; I358-S360 VanDerWaalsContact C-N 3.27Å; I358-S360 PolarHBondContact O-N 3.48Å; I358-L361 PolarHBondContact O-N 2.98Å; I358-L361 VanDerWaalsContact O-N 3.14Å; I358-C362 VanDerWaalsContact O-CB 3.29Å; I358-C362 WeakPolarHBondContact O-CB 3.39Å; I358-C362 PolarHBondContact O-N 3.47Å; I358-C362 PolarHBondContact O-SG 2.95Å; I358-I365 HydrophobicContact CG2-CD1 4.5Å
359	L	96.6	Very high	95.8	Very high	9 Å²	9	34.3 Å²	34.3	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-64.9	-30.1	-178.5	-64.4	-178.8	0	0	0	112.8	V355 R356 Q357 I365 L368 F380 S382 W383	V355-L359 HydrophobicContact CG1-CD1 3.85Å; V355-L359 HydrophobicContact CG1-CG 4.05Å; V355-L359 VanDerWaalsContact O-CG 3.31Å; V355-L359 WeakPolarHBondContact O-CG 3.44Å; V355-L359 PolarHBondContact O-N 2.86Å; R356-L359 PolarHBondContact O-N 3.44Å; Q357-L359 PolarHBondContact O-N 3.21Å; L359-I365 HydrophobicContact CD2-CD1 4.04Å; L359-L368 HydrophobicContact CD2-CD1 4.38Å; L359-L368 HydrophobicContact CD2-CD2 3.86Å; L359-F380 HydrophobicContact CD1-CD1 3.65Å; L359-F380 HydrophobicContact CD1-CE1 3.92Å; L359-S382 WeakPolarHBondContact CB-OG 3.06Å; L359-W383 HydrophobicContact CD1-CZ2 3.91Å; L359-W383 HydrophobicContact CD2-CZ2 3.92Å
360	S	95.7	Very high	96.2	Very high	75 Å²	75	33.6 Å²	33.6	52%	0.524	18%	0.181	S	C	.	.	H	α-helix	trans	-75.7	-29.6	175.2	65	0	0	0	0	113.3	R356 Q357 I358	R356-S360 WeakPolarHBondContact O-CB 3.38Å; R356-S360 PolarHBondContact O-N 2.95Å; R356-S360 PolarHBondContact O-OG 3.49Å; Q357-S360 WeakPolarHBondContact CA-OG 3.4Å; Q357-S360 PolarHBondContact O-N 2.94Å; Q357-S360 PolarHBondContact O-OG 2.93Å; I358-S360 VanDerWaalsContact C-N 3.27Å; I358-S360 PolarHBondContact O-N 3.48Å
361	L	97.2	Very high	96.2	Very high	55 Å²	55	33.6 Å²	33.6	29%	0.288	18%	0.181	S	C	.	.	H	α-helix	trans	-85.7	-21	176.3	-64.9	171.6	0	0	0	113	I328 L332 P333 G336 Q357 I358 P363	I328-L361 HydrophobicContact CG2-CD1 4.4Å; L332-L361 HydrophobicContact CB-CB 3.98Å; L332-L361 HydrophobicContact CB-CD1 3.7Å; L332-L361 HydrophobicContact CB-CG 4.46Å; L332-L361 HydrophobicContact CD1-CD1 4.48Å; P333-L361 HydrophobicContact CG-CD1 4.37Å; G336-L361 CarbonylContact C-O 3.6Å; G336-L361 VanDerWaalsContact CA-O 3.29Å; G336-L361 WeakPolarHBondContact CA-O 3.32Å; Q357-L361 WeakPolarHBondContact O-CG 3.33Å; Q357-L361 PolarHBondContact O-N 3.09Å; I358-L361 PolarHBondContact O-N 2.98Å; I358-L361 VanDerWaalsContact O-N 3.14Å; L361-P363 VanDerWaalsContact C-CD 3.43Å; L361-P363 WeakPolarHBondContact O-CD 3.49Å
362	C	96.9	Very high	96.1	Very high	3 Å²	3	33 Å²	33	2%	0.02	17%	0.172	C	C	.	.			trans	-117.6	71.4	-174.4	-50.9	0	0	0	0	112.6	G336 V339 I358 N364 I365	G336-C362 WeakPolarHBondContact O-CA 3.46Å; V339-C362 HydrophobicContact CB-CB 4.27Å; I358-C362 VanDerWaalsContact O-CB 3.29Å; I358-C362 WeakPolarHBondContact O-CB 3.39Å; I358-C362 PolarHBondContact O-N 3.47Å; I358-C362 PolarHBondContact O-SG 2.95Å; C362-N364 VanDerWaalsContact C-N 3.26Å; C362-N364 PolarHBondContact O-N 3.15Å; C362-I365 HydrophobicContact CB-CD1 3.44Å; C362-I365 VanDerWaalsContact CB-CD1 3.44Å; C362-I365 HydrophobicContact CB-CG1 3.7Å
363	P	93.6	Very high	95.9	Very high	64 Å²	64	32.6 Å²	32.6	42%	0.416	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-15.9	-174.2	29.4	-37.7	0	0	0	114.7	L361	L361-P363 VanDerWaalsContact C-CD 3.43Å; L361-P363 WeakPolarHBondContact O-CD 3.49Å
364	N	94.9	Very high	95.7	Very high	68 Å²	68	31.4 Å²	31.4	36%	0.364	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	20.8	-174.3	-65.5	-43	0	0	0	113	S337 V339 K340 C362 S391	S337-N364 WeakPolarHBondContact O-CB 3.44Å; S337-N364 PolarHBondContact O-ND2 2.91Å; V339-N364 CarbonylContact O-C 3.52Å; K340-N364 PolarHBondContact NZ-O 3.05Å; C362-N364 VanDerWaalsContact C-N 3.26Å; C362-N364 PolarHBondContact O-N 3.15Å; N364-S391 VanDerWaalsContact C-OG 3.25Å; N364-S391 WeakPolarHBondContact CA-OG 3.47Å; N364-S391 PolarHBondContact O-OG 2.91Å
365	I	96.2	Very high	95.6	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.041	17%	0.165	C	C	.	.			trans	-57.7	137.7	174.7	-81.2	173.8	0	0	0	109.6	V339 M342 I358 L359 C362 L368 S391 L392	V339-I365 HydrophobicContact CG1-CG1 4.31Å; M342-I365 HydrophobicContact CB-CD1 4.08Å; I358-I365 HydrophobicContact CG2-CD1 4.5Å; L359-I365 HydrophobicContact CD2-CD1 4.04Å; C362-I365 HydrophobicContact CB-CD1 3.44Å; C362-I365 VanDerWaalsContact CB-CD1 3.44Å; C362-I365 HydrophobicContact CB-CG1 3.7Å; I365-L368 HydrophobicContact CG2-CB 4.14Å; I365-S391 CarbonylContact O-C 3.57Å; I365-S391 PolarHBondContact O-OG 2.88Å; I365-L392 HydrophobicContact CG2-CD1 3.95Å; I365-L392 PolarHBondContact O-N 3.37Å
366	T	96.9	Very high	95.6	Very high	17 Å²	17	32.8 Å²	32.8	10%	0.104	18%	0.178	C	C	.	.			trans	-114.8	-34.1	176.6	62.7	0	0	0	0	111	K340 S391 E393 H394	K340-T366 HydrophobicContact CD-CG2 3.89Å; K340-T366 WeakPolarHBondContact O-CA 3.35Å; K340-T366 PolarHBondContact O-N 3.18Å; K340-T366 PolarHBondContact O-OG1 3.23Å; T366-S391 WeakPolarHBondContact CA-O 3.47Å; T366-S391 WeakPolarHBondContact CG2-O 3.36Å; T366-E393 CarbonylContact O-C 3.51Å; T366-E393 WeakPolarHBondContact O-CA 3.46Å; T366-E393 PolarHBondContact O-N 3.15Å; T366-H394 PolarHBondContact O-N 3.2Å
367	H	97.8	Very high	95.6	Very high	46 Å²	46	30.9 Å²	30.9	21%	0.213	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.7	-180	-69.8	64.8	0	0	0	109.4	P268 K340 S341 M342 H394	P268-H367 HydrophobicContact CG-CB 4.25Å; K340-H367 PolarHBondContact O-N 3.47Å; S341-H367 WeakPolarHBondContact CA-O 3.41Å; M342-H367 PolarHBondContact N-O 3.13Å; H367-H394 WeakPolarHBondContact CA-O 3.42Å; H367-H394 HydrophobicContact CB-CB 4.27Å; H367-H394 WeakPolarHBondContact CD2-CB 3.44Å; H367-H394 AromaticContact CD2-CG 3.62Å; H367-H394 AromaticContact CD2-ND1 3.94Å
368	L	97.7	Very high	95.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122.4	173.8	179.4	65.1	0	0	0	108.6	M342 L359 I365 L370 F380 W383 L392 H394 L395 D396	M342-L368 HydrophobicContact CB-CD1 4.16Å; M342-L368 HydrophobicContact CG-CD1 4.23Å; L359-L368 HydrophobicContact CD2-CD1 4.38Å; L359-L368 HydrophobicContact CD2-CD2 3.86Å; I365-L368 HydrophobicContact CG2-CB 4.14Å; L368-L370 HydrophobicContact CD1-CD1 4.26Å; L368-L370 HydrophobicContact CD1-CD2 4.48Å; L368-L370 HydrophobicContact CD1-CG 4.11Å; L368-L370 HydrophobicContact CD2-CD1 3.83Å; L368-L370 HydrophobicContact CD2-CG 4.47Å; L368-L370 HydrophobicContact CG-CD1 4.01Å; L368-L370 HydrophobicContact CG-CG 4.1Å; L368-F380 HydrophobicContact CD2-CE1 3.94Å; L368-W383 HydrophobicContact CD2-CH2 3.81Å; L368-W383 HydrophobicContact CD2-CZ2 4Å; L368-L392 HydrophobicContact CB-CD1 4.3Å; L368-H394 PolarHBondContact N-O 3.27Å; L368-L395 HydrophobicContact CB-CD1 4.08Å; L368-L395 HydrophobicContact CD2-CD1 3.78Å; L368-L395 HydrophobicContact CG-CD1 4.12Å; L368-L395 WeakPolarHBondContact O-CA 3.47Å; L368-D396 PolarHBondContact O-N 2.75Å
369	D	96.4	Very high	95.5	Very high	28 Å²	28	32.1 Å²	32.1	15%	0.15	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.7	176.8	178.1	-0.1	0	0	0	109	M342 I343 L344 A345 T371 D396	M342-D369 PolarHBondContact O-N 3.4Å; M342-D369 VanDerWaalsContact O-N 3.15Å; I343-D369 HydrophobicContact CD1-CB 3.67Å; I343-D369 HydrophobicContact CG2-CB 4.18Å; L344-D369 WeakPolarHBondContact CA-O 3.43Å; L344-D369 PolarHBondContact N-O 2.92Å; A345-D369 WeakPolarHBondContact CB-OD2 3.5Å; D369-T371 VanDerWaalsContact OD1-CB 3.23Å; D369-T371 WeakPolarHBondContact OD1-CB 3.25Å; D369-T371 PolarHBondContact OD1-N 3.34Å; D369-T371 PolarHBondContact OD1-OG1 3.02Å; D369-D396 HydrophobicContact CB-CB 4.36Å
370	L	96.4	Very high	95.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.			trans	-121.1	19.5	179.9	-68.1	165.7	0	0	0	111	L344 V355 L368 Q372 T373 F380 D396 L397 C400	L344-L370 HydrophobicContact CB-CD2 3.99Å; L344-L370 HydrophobicContact CD1-CD2 3.82Å; L344-L370 HydrophobicContact CG-CD2 4.49Å; V355-L370 HydrophobicContact CG1-CD1 4.11Å; V355-L370 HydrophobicContact CG1-CD2 4.3Å; V355-L370 HydrophobicContact CG2-CD2 3.85Å; L368-L370 HydrophobicContact CD1-CD1 4.26Å; L368-L370 HydrophobicContact CD1-CD2 4.48Å; L368-L370 HydrophobicContact CD1-CG 4.11Å; L368-L370 HydrophobicContact CD2-CD1 3.83Å; L368-L370 HydrophobicContact CD2-CG 4.47Å; L368-L370 HydrophobicContact CG-CD1 4.01Å; L368-L370 HydrophobicContact CG-CG 4.1Å; L370-Q372 PolarHBondContact O-N 3.13Å; L370-T373 WeakPolarHBondContact O-CB 3.37Å; L370-T373 WeakPolarHBondContact O-CG2 3.43Å; L370-T373 PolarHBondContact O-N 3.05Å; L370-T373 PolarHBondContact O-OG1 3.43Å; L370-F380 HydrophobicContact CD1-CE1 4.14Å; L370-F380 HydrophobicContact CD1-CZ 3.55Å; L370-D396 PolarHBondContact N-O 2.91Å; L370-L397 HydrophobicContact CB-CD2 4.01Å; L370-L397 HydrophobicContact CD1-CD2 3.79Å; L370-L397 HydrophobicContact CG-CD2 4.46Å; L370-C400 PolarHBondContact O-SG 3.48Å
371	T	93.3	Very high	95.5	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.043	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	132.2	-178.4	-62.2	0	0	0	0	111.2	A345 Y346 D369 T373 D396 S398	A345-T371 CarbonylContact C-O 3.12Å; A345-T371 WeakPolarHBondContact CA-O 3.47Å; Y346-T371 HydrophobicContact CD2-CG2 4.45Å; Y346-T371 HydrophobicContact CE1-CG2 4.32Å; Y346-T371 HydrophobicContact CE2-CG2 3.78Å; Y346-T371 PolarHBondContact N-O 2.87Å; D369-T371 VanDerWaalsContact OD1-CB 3.23Å; D369-T371 WeakPolarHBondContact OD1-CB 3.25Å; D369-T371 PolarHBondContact OD1-N 3.34Å; D369-T371 PolarHBondContact OD1-OG1 3.02Å; T371-T373 VanDerWaalsContact C-N 3.33Å; T371-T373 PolarHBondContact O-N 3.47Å; T371-D396 PolarHBondContact OG1-OD1 2.75Å; T371-D396 PolarHBondContact OG1-OD2 3.03Å; T371-S398 CarbonylContact C-O 3.26Å; T371-S398 WeakPolarHBondContact CA-O 3.28Å
372	Q	90.5	Very high	95.3	Very high	35 Å²	35	28.8 Å²	28.8	16%	0.164	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	47.5	175.8	-66.3	-72.4	-2.7	0	0	113.1	Y346 L370 S398 F690	Y346-Q372 HydrophobicContact CD1-CB 3.51Å; Y346-Q372 HydrophobicContact CD1-CG 3.73Å; Y346-Q372 HydrophobicContact CE1-CB 3.88Å; Y346-Q372 HydrophobicContact CE1-CG 3.55Å; Y346-Q372 HydrophobicContact CG-CB 4.05Å; L370-Q372 PolarHBondContact O-N 3.13Å; Q372-S398 PolarHBondContact N-O 3.01Å; Q372-F690 PolarHBondContact NE2-O 2.63Å
373	T	92.6	Very high	95.1	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.043	16%	0.156	C	C	.	.			trans	-117.2	152.6	171.2	62.4	0	0	0	0	111.1	L344 L370 T371 V375	L344-T373 VanDerWaalsContact O-CG2 3.31Å; L344-T373 WeakPolarHBondContact O-CG2 3.39Å; L370-T373 WeakPolarHBondContact O-CB 3.37Å; L370-T373 WeakPolarHBondContact O-CG2 3.43Å; L370-T373 PolarHBondContact O-N 3.05Å; L370-T373 PolarHBondContact O-OG1 3.43Å; T371-T373 VanDerWaalsContact C-N 3.33Å; T371-T373 PolarHBondContact O-N 3.47Å; T373-V375 PolarHBondContact O-N 3.47Å; T373-V375 WeakPolarHBondContact OG1-CG2 3.46Å
374	D	89.8	Confident	95	Very high	84 Å²	84	29.2 Å²	29.2	45%	0.449	16%	0.158	S	C	.	.			trans	-82.6	35.8	-178.2	-164.2	36.6	0	0	0	113.4	K402	D374-K402 VanDerWaalsContact OD1-CD 3.28Å; D374-K402 WeakPolarHBondContact OD1-CD 3.44Å; D374-K402 WeakPolarHBondContact OD1-CE 3.31Å; D374-K402 IonicContact OD1-NZ 3.65Å; D374-K402 PolarHBondContact OD1-NZ 3.27Å; D374-K402 IonicContact OD2-NZ 3.59Å; D374-K402 PolarHBondContact OD2-NZ 3.1Å
375	V	95.2	Very high	94.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.			trans	-80.1	142.1	-177	-63.7	0	0	0	0	111.6	V350 V355 T373 A379 C400 I403	V350-V375 HydrophobicContact CG1-CG1 4.23Å; V355-V375 HydrophobicContact CG2-CG1 3.85Å; T373-V375 PolarHBondContact O-N 3.47Å; T373-V375 WeakPolarHBondContact OG1-CG2 3.46Å; V375-A379 HydrophobicContact CB-CB 4.35Å; V375-C400 HydrophobicContact CG2-CB 4.1Å; V375-I403 HydrophobicContact CG2-CD1 4.29Å
376	T	97.3	Very high	94.4	Very high	46 Å²	46	35.9 Å²	35.9	28%	0.282	19%	0.187	S	C	.	.			trans	-108.8	171.2	175.9	67.2	0	0	0	0	110.2	S352 F378 A379 K402	S352-T376 PolarHBondContact OG-N 3.23Å; S352-T376 PolarHBondContact OG-OG1 3.36Å; T376-F378 PolarHBondContact O-N 3.08Å; T376-A379 VanDerWaalsContact O-CB 3.28Å; T376-A379 WeakPolarHBondContact O-CB 3.31Å; T376-A379 PolarHBondContact O-N 3.43Å; T376-K402 HydrophobicContact CG2-CB 3.89Å; T376-K402 HydrophobicContact CG2-CD 3.8Å; T376-K402 HydrophobicContact CG2-CG 4.49Å
377	D	97.4	Very high	93.8	Very high	22 Å²	22	36.4 Å²	36.4	12%	0.118	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-54.1	-28.7	179.5	-60	-67.5	0	0	0	113.3	A379 F380 T404 Q406 T407 R410	D377-A379 PolarHBondContact O-N 2.84Å; D377-A379 VanDerWaalsContact O-N 3.12Å; D377-F380 PolarHBondContact O-N 3.41Å; D377-T404 VanDerWaalsContact CG-OG1 3.26Å; D377-T404 PolarHBondContact OD1-N 2.66Å; D377-T404 PolarHBondContact OD1-OG1 2.89Å; D377-T404 WeakPolarHBondContact OD2-CB 3.46Å; D377-T404 WeakPolarHBondContact OD2-CG2 3.17Å; D377-T404 PolarHBondContact OD2-N 3.16Å; D377-T404 PolarHBondContact OD2-OG1 3.32Å; D377-Q406 HydrophobicContact CB-CB 4.1Å; D377-Q406 HydrophobicContact CB-CG 4.3Å; D377-T407 WeakPolarHBondContact CA-OG1 3.48Å; D377-T407 VanDerWaalsContact OD1-CB 3.32Å; D377-T407 WeakPolarHBondContact OD1-CB 3.42Å; D377-T407 PolarHBondContact OD1-N 2.95Å; D377-T407 PolarHBondContact OD1-OG1 3.39Å; D377-R410 PolarHBondContact O-NH1 2.79Å
378	F	96.1	Very high	93.4	Very high	99 Å²	99	34.8 Å²	34.8	43%	0.434	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-56.1	-24.2	178	-174.3	-131.4	0	0	0	114	R356 T376 F380 D381	R356-F378 PolarHBondContact NH1-O 3.36Å; R356-F378 VanDerWaalsContact NH2-CZ 3.31Å; T376-F378 PolarHBondContact O-N 3.08Å; F378-F380 PolarHBondContact O-N 2.98Å; F378-D381 WeakPolarHBondContact CD2-OD2 3.4Å; F378-D381 VanDerWaalsContact CE2-OD2 3.22Å; F378-D381 WeakPolarHBondContact CE2-OD2 3.42Å; F378-D381 PolarHBondContact O-N 2.97Å
379	A	97.4	Very high	93.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-58.1	-32.1	173.5	0	0	0	0	0	112.4	S352 V355 R356 V375 T376 D377	S352-A379 WeakPolarHBondContact O-CA 3.44Å; V355-A379 HydrophobicContact CB-CB 3.92Å; V355-A379 HydrophobicContact CG1-CB 3.9Å; R356-A379 VanDerWaalsContact CA-O 3.25Å; R356-A379 WeakPolarHBondContact CA-O 3.49Å; R356-A379 WeakPolarHBondContact CB-O 3.22Å; R356-A379 PolarHBondContact N-O 3.13Å; V375-A379 HydrophobicContact CB-CB 4.35Å; T376-A379 VanDerWaalsContact O-CB 3.28Å; T376-A379 WeakPolarHBondContact O-CB 3.31Å; T376-A379 PolarHBondContact O-N 3.43Å; D377-A379 PolarHBondContact O-N 2.84Å; D377-A379 VanDerWaalsContact O-N 3.12Å
380	F	97.7	Very high	92.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-101.7	13.4	-171.4	-59	-78.9	0	0	0	114.1	L359 L368 L370 D377 F378 S382 W383 L397 I403 T407 R410	L359-F380 HydrophobicContact CD1-CD1 3.65Å; L359-F380 HydrophobicContact CD1-CE1 3.92Å; L368-F380 HydrophobicContact CD2-CE1 3.94Å; L370-F380 HydrophobicContact CD1-CE1 4.14Å; L370-F380 HydrophobicContact CD1-CZ 3.55Å; D377-F380 PolarHBondContact O-N 3.41Å; F378-F380 PolarHBondContact O-N 2.98Å; F380-S382 PolarHBondContact O-N 2.9Å; F380-S382 VanDerWaalsContact O-N 3.11Å; F380-W383 HydrophobicContact CB-CE3 4.19Å; F380-W383 AromaticContact CD1-CD2 3.89Å; F380-W383 HydrophobicContact CD1-CD2 3.89Å; F380-W383 AromaticContact CD1-CE3 3.41Å; F380-W383 HydrophobicContact CD1-CE3 3.41Å; F380-W383 VanDerWaalsContact CD1-CE3 3.41Å; F380-W383 AromaticContact CD1-CH2 3.6Å; F380-W383 HydrophobicContact CD1-CH2 3.6Å; F380-W383 HydrophobicContact CD1-CZ2 4.06Å; F380-W383 AromaticContact CD1-CZ3 3.24Å; F380-W383 HydrophobicContact CD1-CZ3 3.24Å; F380-W383 HydrophobicContact CE1-CE3 4.16Å; F380-W383 AromaticContact CE1-CH2 3.54Å; F380-W383 HydrophobicContact CE1-CH2 3.54Å; F380-W383 HydrophobicContact CE1-CZ2 4.2Å; F380-W383 AromaticContact CE1-CZ3 3.51Å; F380-W383 HydrophobicContact CE1-CZ3 3.51Å; F380-W383 HydrophobicContact CG-CE3 4.14Å; F380-W383 HydrophobicContact CG-CZ3 4.25Å; F380-W383 WeakPolarHBondContact O-CB 3.36Å; F380-W383 PolarHBondContact O-N 3.49Å; F380-L397 HydrophobicContact CE2-CD2 4.35Å; F380-L397 HydrophobicContact CZ-CD1 4.42Å; F380-L397 HydrophobicContact CZ-CD2 3.69Å; F380-I403 HydrophobicContact CD2-CD1 4.25Å; F380-I403 HydrophobicContact CE2-CD1 3.75Å; F380-T407 HydrophobicContact CB-CG2 4.44Å; F380-T407 HydrophobicContact CD2-CG2 3.52Å; F380-T407 HydrophobicContact CE2-CG2 3.82Å; F380-T407 HydrophobicContact CG-CG2 3.9Å; F380-T407 HydrophobicContact CZ-CG2 4.41Å; F380-R410 WeakPolarHBondContact O-CD 3.44Å
381	D	94.8	Very high	92.7	Very high	51 Å²	51	43.2 Å²	43.2	27%	0.273	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-53.7	-34.1	178.4	-87.6	-9.9	0	0	0	113.1	F378 W383 S384 R410	F378-D381 WeakPolarHBondContact CD2-OD2 3.4Å; F378-D381 VanDerWaalsContact CE2-OD2 3.22Å; F378-D381 WeakPolarHBondContact CE2-OD2 3.42Å; F378-D381 PolarHBondContact O-N 2.97Å; D381-W383 PolarHBondContact O-N 3.36Å; D381-W383 VanDerWaalsContact O-N 3.15Å; D381-S384 VanDerWaalsContact O-CB 3.28Å; D381-S384 WeakPolarHBondContact O-CB 3.36Å; D381-S384 PolarHBondContact O-N 3.07Å; D381-S384 VanDerWaalsContact O-N 3.1Å; D381-S384 PolarHBondContact O-OG 2.85Å; D381-R410 IonicContact OD1-CZ 3.9Å; D381-R410 IonicContact OD1-NE 2.83Å; D381-R410 PolarHBondContact OD1-NE 3.05Å; D381-R410 IonicContact OD1-NH1 2.69Å; D381-R410 PolarHBondContact OD1-NH1 3.25Å; D381-R410 IonicContact OD1-NH2 3.05Å; D381-R410 PolarHBondContact OD1-NH2 3.23Å
382	S	91.6	Very high	92.9	Very high	19 Å²	19	43 Å²	43	13%	0.133	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-62.6	-16	176.1	56.6	0	0	0	0	113.2	L359 F380 F385 A388	L359-S382 WeakPolarHBondContact CB-OG 3.06Å; F380-S382 PolarHBondContact O-N 2.9Å; F380-S382 VanDerWaalsContact O-N 3.11Å; S382-F385 VanDerWaalsContact O-CD1 3.24Å; S382-F385 WeakPolarHBondContact O-CD1 3.49Å; S382-F385 WeakPolarHBondContact O-CE1 3.44Å; S382-A388 WeakPolarHBondContact O-CB 3.21Å
383	W	94.1	Very high	93.1	Very high	10 Å²	10	44.1 Å²	44.1	4%	0.038	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-90.9	5	176.2	-63.8	-8.2	0	0	0	114.3	L359 L368 F380 D381 F385 A388 C389 L392 L395 R410 L411	L359-W383 HydrophobicContact CD1-CZ2 3.91Å; L359-W383 HydrophobicContact CD2-CZ2 3.92Å; L368-W383 HydrophobicContact CD2-CH2 3.81Å; L368-W383 HydrophobicContact CD2-CZ2 4Å; F380-W383 HydrophobicContact CB-CE3 4.19Å; F380-W383 AromaticContact CD1-CD2 3.89Å; F380-W383 HydrophobicContact CD1-CD2 3.89Å; F380-W383 AromaticContact CD1-CE3 3.41Å; F380-W383 HydrophobicContact CD1-CE3 3.41Å; F380-W383 VanDerWaalsContact CD1-CE3 3.41Å; F380-W383 AromaticContact CD1-CH2 3.6Å; F380-W383 HydrophobicContact CD1-CH2 3.6Å; F380-W383 HydrophobicContact CD1-CZ2 4.06Å; F380-W383 AromaticContact CD1-CZ3 3.24Å; F380-W383 HydrophobicContact CD1-CZ3 3.24Å; F380-W383 HydrophobicContact CE1-CE3 4.16Å; F380-W383 AromaticContact CE1-CH2 3.54Å; F380-W383 HydrophobicContact CE1-CH2 3.54Å; F380-W383 HydrophobicContact CE1-CZ2 4.2Å; F380-W383 AromaticContact CE1-CZ3 3.51Å; F380-W383 HydrophobicContact CE1-CZ3 3.51Å; F380-W383 HydrophobicContact CG-CE3 4.14Å; F380-W383 HydrophobicContact CG-CZ3 4.25Å; F380-W383 WeakPolarHBondContact O-CB 3.36Å; F380-W383 PolarHBondContact O-N 3.49Å; D381-W383 PolarHBondContact O-N 3.36Å; D381-W383 VanDerWaalsContact O-N 3.15Å; W383-F385 PolarHBondContact O-N 3.48Å; W383-F385 VanDerWaalsContact O-N 3.13Å; W383-A388 HydrophobicContact CB-CB 4.39Å; W383-C389 HydrophobicContact CD2-CB 4.06Å; W383-C389 HydrophobicContact CG-CB 4.22Å; W383-C389 HydrophobicContact CZ2-CB 4.14Å; W383-L392 HydrophobicContact CH2-CD2 3.76Å; W383-L392 HydrophobicContact CZ2-CD2 4.27Å; W383-L392 HydrophobicContact CZ3-CD2 4.27Å; W383-L395 HydrophobicContact CH2-CD1 4.17Å; W383-L395 HydrophobicContact CH2-CD2 4.41Å; W383-L395 HydrophobicContact CZ3-CD2 4.21Å; W383-R410 HydrophobicContact CB-CB 4.3Å; W383-R410 VanDerWaalsContact O-O 3.11Å; W383-L411 HydrophobicContact CE3-CD1 4.14Å; W383-L411 HydrophobicContact CZ3-CD1 3.85Å
384	S	90.7	Very high	93.4	Very high	66 Å²	66	45.9 Å²	45.9	46%	0.462	24%	0.237	S	C	.	.	S	Bend	trans	-71.7	-4.5	-177.6	-52.9	0	0	0	0	114.5	D381	D381-S384 VanDerWaalsContact O-CB 3.28Å; D381-S384 WeakPolarHBondContact O-CB 3.36Å; D381-S384 PolarHBondContact O-N 3.07Å; D381-S384 VanDerWaalsContact O-N 3.1Å; D381-S384 PolarHBondContact O-OG 2.85Å
385	F	88.9	Confident	93.8	Very high	127 Å²	127	41.9 Å²	41.9	56%	0.557	22%	0.216	S	C	*	.	S	Bend	trans	-109	149.8	176.8	67	-93.6	0	0	0	112	S382 W383 G387 A388	S382-F385 VanDerWaalsContact O-CD1 3.24Å; S382-F385 WeakPolarHBondContact O-CD1 3.49Å; S382-F385 WeakPolarHBondContact O-CE1 3.44Å; W383-F385 PolarHBondContact O-N 3.48Å; W383-F385 VanDerWaalsContact O-N 3.13Å; F385-G387 PolarHBondContact O-N 3.25Å; F385-A388 HydrophobicContact CD1-CB 3.94Å; F385-A388 HydrophobicContact CD2-CB 3.72Å; F385-A388 HydrophobicContact CE1-CB 3.65Å; F385-A388 HydrophobicContact CE2-CB 3.41Å; F385-A388 VanDerWaalsContact CE2-CB 3.41Å; F385-A388 HydrophobicContact CG-CB 3.98Å; F385-A388 HydrophobicContact CZ-CB 3.36Å; F385-A388 VanDerWaalsContact O-CB 3.3Å; F385-A388 WeakPolarHBondContact O-CB 3.36Å; F385-A388 PolarHBondContact O-N 2.67Å
386	L	89.1	Confident	93.8	Very high	88 Å²	88	43 Å²	43	46%	0.461	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	124.1	-174	-167.9	75.4	0	0	0	111.3	V413	L386-V413 WeakPolarHBondContact CA-O 3.47Å
387	G	85	Confident	93.8	Very high	28 Å²	28	40.8 Å²	40.8	29%	0.289	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	12.8	177.3	0	0	0	0	0	115.2	F385 C389 R390 V413 G414	F385-G387 PolarHBondContact O-N 3.25Å; G387-C389 VanDerWaalsContact C-N 3.26Å; G387-C389 PolarHBondContact O-N 2.96Å; G387-R390 PolarHBondContact O-N 3.47Å; G387-V413 PolarHBondContact N-O 3.27Å; G387-G414 CarbonylContact C-O 3.46Å; G387-G414 WeakPolarHBondContact CA-O 3.32Å; G387-G414 PolarHBondContact N-O 2.94Å
388	A	89.6	Confident	93.6	Very high	12 Å²	12	39.9 Å²	39.9	10%	0.099	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.9	178.3	0	0	0	0	0	115.3	S382 W383 F385 G414	S382-A388 WeakPolarHBondContact O-CB 3.21Å; W383-A388 HydrophobicContact CB-CB 4.39Å; F385-A388 HydrophobicContact CD1-CB 3.94Å; F385-A388 HydrophobicContact CD2-CB 3.72Å; F385-A388 HydrophobicContact CE1-CB 3.65Å; F385-A388 HydrophobicContact CE2-CB 3.41Å; F385-A388 VanDerWaalsContact CE2-CB 3.41Å; F385-A388 HydrophobicContact CG-CB 3.98Å; F385-A388 HydrophobicContact CZ-CB 3.36Å; F385-A388 VanDerWaalsContact O-CB 3.3Å; F385-A388 WeakPolarHBondContact O-CB 3.36Å; F385-A388 PolarHBondContact O-N 2.67Å; A388-G414 PolarHBondContact N-O 2.75Å
389	C	92	Very high	93.4	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.041	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	40.6	-179.4	58.1	0	0	0	0	111.4	W383 G387 S391 L392 G414	W383-C389 HydrophobicContact CD2-CB 4.06Å; W383-C389 HydrophobicContact CG-CB 4.22Å; W383-C389 HydrophobicContact CZ2-CB 4.14Å; G387-C389 VanDerWaalsContact C-N 3.26Å; G387-C389 PolarHBondContact O-N 2.96Å; C389-S391 PolarHBondContact O-N 3.2Å; C389-S391 VanDerWaalsContact O-N 3.1Å; C389-L392 HydrophobicContact CB-CB 4.27Å; C389-L392 VanDerWaalsContact O-CB 3.25Å; C389-L392 WeakPolarHBondContact O-CB 3.42Å; C389-L392 PolarHBondContact O-N 3.06Å; C389-G414 CarbonylContact C-O 3.52Å; C389-G414 PolarHBondContact N-O 3.19Å; C389-G414 VanDerWaalsContact SG-CA 3.57Å
390	R	90.9	Very high	93.2	Very high	171 Å²	171	35.4 Å²	35.4	65%	0.645	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.9	-175.6	-158.6	-174.5	75.6	-172.3	2.6	114.5	G387 G414 S606	G387-R390 PolarHBondContact O-N 3.47Å; R390-G414 PolarHBondContact N-O 2.78Å; R390-S606 PolarHBondContact O-OG 3.39Å
391	S	93.2	Very high	92.9	Very high	30 Å²	30	39.3 Å²	39.3	21%	0.21	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-0.3	177.8	57.1	0	0	0	0	113.8	N364 I365 T366 C389 E393	N364-S391 VanDerWaalsContact C-OG 3.25Å; N364-S391 WeakPolarHBondContact CA-OG 3.47Å; N364-S391 PolarHBondContact O-OG 2.91Å; I365-S391 CarbonylContact O-C 3.57Å; I365-S391 PolarHBondContact O-OG 2.88Å; T366-S391 WeakPolarHBondContact CA-O 3.47Å; T366-S391 WeakPolarHBondContact CG2-O 3.36Å; C389-S391 PolarHBondContact O-N 3.2Å; C389-S391 VanDerWaalsContact O-N 3.1Å; S391-E393 PolarHBondContact O-N 3.41Å
392	L	96.3	Very high	92.9	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.21	C	C	.	.			trans	-67	126.4	-176.2	-168.6	67.6	0	0	0	109.8	I365 L368 W383 C389 L395 L411 L415 S606 L607	I365-L392 HydrophobicContact CG2-CD1 3.95Å; I365-L392 PolarHBondContact O-N 3.37Å; L368-L392 HydrophobicContact CB-CD1 4.3Å; W383-L392 HydrophobicContact CH2-CD2 3.76Å; W383-L392 HydrophobicContact CZ2-CD2 4.27Å; W383-L392 HydrophobicContact CZ3-CD2 4.27Å; C389-L392 HydrophobicContact CB-CB 4.27Å; C389-L392 VanDerWaalsContact O-CB 3.25Å; C389-L392 WeakPolarHBondContact O-CB 3.42Å; C389-L392 PolarHBondContact O-N 3.06Å; L392-L395 HydrophobicContact CD2-CB 4.15Å; L392-L395 HydrophobicContact CD2-CD2 4.25Å; L392-L411 HydrophobicContact CD2-CD1 3.76Å; L392-L415 HydrophobicContact CB-CD2 4.26Å; L392-S606 CarbonylContact O-C 3.41Å; L392-S606 VanDerWaalsContact O-C 3.26Å; L392-S606 PolarHBondContact O-OG 2.87Å; L392-L607 HydrophobicContact CD2-CD1 4.11Å; L392-L607 HydrophobicContact CG-CD1 3.96Å; L392-L607 WeakPolarHBondContact O-CA 3.11Å; L392-L607 PolarHBondContact O-N 3.28Å
393	E	96.5	Very high	93.2	Very high	60 Å²	60	40.3 Å²	40.3	28%	0.28	20%	0.203	S	C	.	.			trans	-114.7	-35.2	180	-62.2	-168.4	-154.9	0	0	111.3	T366 S391 S606 K608 F609	T366-E393 CarbonylContact O-C 3.51Å; T366-E393 WeakPolarHBondContact O-CA 3.46Å; T366-E393 PolarHBondContact O-N 3.15Å; S391-E393 PolarHBondContact O-N 3.41Å; E393-S606 WeakPolarHBondContact CA-O 3.32Å; E393-K608 WeakPolarHBondContact O-CA 3.46Å; E393-K608 PolarHBondContact O-N 2.99Å; E393-K608 IonicContact OE2-NZ 2.84Å; E393-K608 PolarHBondContact OE2-NZ 3.29Å; E393-F609 PolarHBondContact O-N 3.05Å
394	H	97.3	Very high	93.4	Very high	44 Å²	44	41.6 Å²	41.6	20%	0.204	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.2	-177.2	-175.4	121.2	0	0	0	110.1	T366 H367 L368 F609	T366-H394 PolarHBondContact O-N 3.2Å; H367-H394 WeakPolarHBondContact CA-O 3.42Å; H367-H394 HydrophobicContact CB-CB 4.27Å; H367-H394 WeakPolarHBondContact CD2-CB 3.44Å; H367-H394 AromaticContact CD2-CG 3.62Å; H367-H394 AromaticContact CD2-ND1 3.94Å; L368-H394 PolarHBondContact N-O 3.27Å; H394-F609 HydrophobicContact CB-CB 4.19Å; H394-F609 AromaticContact CD2-CD1 3.69Å; H394-F609 AromaticContact CE1-CD1 3.3Å; H394-F609 WeakPolarHBondContact CE1-CD1 3.35Å; H394-F609 AromaticContact CE1-CD2 3.75Å; H394-F609 AromaticContact CE1-CE1 3.5Å; H394-F609 VanDerWaalsContact CE1-CE1 3.5Å; H394-F609 WeakPolarHBondContact CE1-CE1 3.36Å; H394-F609 AromaticContact CE1-CE2 3.91Å; H394-F609 AromaticContact CE1-CG 3.45Å; H394-F609 VanDerWaalsContact CE1-CG 3.45Å; H394-F609 WeakPolarHBondContact CE1-CG 3.29Å; H394-F609 AromaticContact CE1-CZ 3.8Å; H394-F609 AromaticContact CG-CD1 3.81Å; H394-F609 AromaticContact CG-CG 3.96Å; H394-F609 AromaticContact ND1-CD1 3.6Å; H394-F609 AromaticContact ND1-CD2 3.94Å; H394-F609 AromaticContact ND1-CG 3.42Å; H394-F609 WeakPolarHBondContact ND1-CG 3.35Å; H394-F609 AromaticContact NE2-CD1 3.37Å; H394-F609 WeakPolarHBondContact NE2-CD1 3.44Å; H394-F609 AromaticContact NE2-CE1 3.42Å; H394-F609 WeakPolarHBondContact NE2-CE1 3.47Å; H394-F609 AromaticContact NE2-CG 4Å
395	L	97.8	Very high	93.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	114.4	175.2	180	60.6	0	0	0	110.3	L368 W383 L392 L397 L411 L607 F609 L610 S611	L368-L395 HydrophobicContact CB-CD1 4.08Å; L368-L395 HydrophobicContact CD2-CD1 3.78Å; L368-L395 HydrophobicContact CG-CD1 4.12Å; L368-L395 WeakPolarHBondContact O-CA 3.47Å; W383-L395 HydrophobicContact CH2-CD1 4.17Å; W383-L395 HydrophobicContact CH2-CD2 4.41Å; W383-L395 HydrophobicContact CZ3-CD2 4.21Å; L392-L395 HydrophobicContact CD2-CB 4.15Å; L392-L395 HydrophobicContact CD2-CD2 4.25Å; L395-L397 HydrophobicContact CD1-CD2 3.9Å; L395-L397 HydrophobicContact CD1-CG 4.1Å; L395-L397 HydrophobicContact CD2-CD1 4.22Å; L395-L397 HydrophobicContact CD2-CG 4.45Å; L395-L397 HydrophobicContact CG-CD1 4.38Å; L395-L397 HydrophobicContact CG-CD2 4.43Å; L395-L397 HydrophobicContact CG-CG 4.07Å; L395-L411 HydrophobicContact CD2-CD1 4.13Å; L395-L411 HydrophobicContact CD2-CD2 3.69Å; L395-L607 HydrophobicContact CB-CD1 4.16Å; L395-F609 PolarHBondContact N-O 3.37Å; L395-L610 HydrophobicContact CB-CD1 4.21Å; L395-L610 HydrophobicContact CD2-CD1 3.95Å; L395-L610 HydrophobicContact CG-CD1 4.19Å; L395-L610 WeakPolarHBondContact O-CA 3.36Å; L395-S611 PolarHBondContact O-N 2.9Å
396	D	96.7	Very high	94.2	Very high	22 Å²	22	36.8 Å²	36.8	12%	0.118	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.7	173.1	-158.4	-26.4	0	0	0	110.9	L368 D369 L370 T371 S398 F609 S611	L368-D396 PolarHBondContact O-N 2.75Å; D369-D396 HydrophobicContact CB-CB 4.36Å; L370-D396 PolarHBondContact N-O 2.91Å; T371-D396 PolarHBondContact OG1-OD1 2.75Å; T371-D396 PolarHBondContact OG1-OD2 3.03Å; D396-S398 WeakPolarHBondContact OD1-CB 3.46Å; D396-S398 PolarHBondContact OD1-N 3.38Å; D396-S398 PolarHBondContact OD1-OG 3.46Å; D396-F609 HydrophobicContact CB-CE1 4.2Å; D396-S611 WeakPolarHBondContact OD1-CB 3.35Å
397	L	96.9	Very high	94.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.163	C	C	.	.			trans	-119.1	21.3	175.2	-56.3	-179.5	0	0	0	111.4	L370 F380 L395 G399 C400 I403 T407 S611 L612 C615	L370-L397 HydrophobicContact CB-CD2 4.01Å; L370-L397 HydrophobicContact CD1-CD2 3.79Å; L370-L397 HydrophobicContact CG-CD2 4.46Å; F380-L397 HydrophobicContact CE2-CD2 4.35Å; F380-L397 HydrophobicContact CZ-CD1 4.42Å; F380-L397 HydrophobicContact CZ-CD2 3.69Å; L395-L397 HydrophobicContact CD1-CD2 3.9Å; L395-L397 HydrophobicContact CD1-CG 4.1Å; L395-L397 HydrophobicContact CD2-CD1 4.22Å; L395-L397 HydrophobicContact CD2-CG 4.45Å; L395-L397 HydrophobicContact CG-CD1 4.38Å; L395-L397 HydrophobicContact CG-CD2 4.43Å; L395-L397 HydrophobicContact CG-CG 4.07Å; L397-G399 PolarHBondContact O-N 3.07Å; L397-C400 HydrophobicContact CB-CB 4.37Å; L397-C400 VanDerWaalsContact O-CB 3.27Å; L397-C400 WeakPolarHBondContact O-CB 3.5Å; L397-C400 PolarHBondContact O-N 3.42Å; L397-I403 HydrophobicContact CD1-CG2 4.28Å; L397-T407 HydrophobicContact CD1-CG2 4.11Å; L397-S611 PolarHBondContact N-O 3.13Å; L397-L612 HydrophobicContact CB-CD2 4.24Å; L397-L612 HydrophobicContact CD1-CD2 3.88Å; L397-L612 HydrophobicContact CG-CD2 4.44Å; L397-C615 PolarHBondContact O-SG 2.67Å
398	S	93.6	Very high	95.2	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.014	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	127	-176.1	-60.6	0	0	0	0	111.3	T371 Q372 D396 C400 S611 S613	T371-S398 CarbonylContact C-O 3.26Å; T371-S398 WeakPolarHBondContact CA-O 3.28Å; Q372-S398 PolarHBondContact N-O 3.01Å; D396-S398 WeakPolarHBondContact OD1-CB 3.46Å; D396-S398 PolarHBondContact OD1-N 3.38Å; D396-S398 PolarHBondContact OD1-OG 3.46Å; S398-C400 VanDerWaalsContact C-N 3.26Å; S398-C400 PolarHBondContact O-N 3.14Å; S398-S611 WeakPolarHBondContact OG-CB 3.39Å; S398-S611 PolarHBondContact OG-OG 2.96Å; S398-S613 CarbonylContact C-O 3.48Å; S398-S613 VanDerWaalsContact CA-O 3.23Å; S398-S613 WeakPolarHBondContact CA-O 3.45Å
399	G	90.6	Very high	95.5	Very high	6 Å²	6	34.9 Å²	34.9	6%	0.062	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	3.9	-178.8	0	0	0	0	0	114.9	L397 E401 S613	L397-G399 PolarHBondContact O-N 3.07Å; G399-E401 VanDerWaalsContact C-N 3.28Å; G399-E401 PolarHBondContact O-N 3.08Å; G399-S613 PolarHBondContact N-O 3.04Å
400	C	93.9	Very high	95.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.167	C	C	.	.			trans	-78.5	79	170.8	-63.1	0	0	0	0	110.4	L370 V375 L397 S398 K402 I403 C615	L370-C400 PolarHBondContact O-SG 3.48Å; V375-C400 HydrophobicContact CG2-CB 4.1Å; L397-C400 HydrophobicContact CB-CB 4.37Å; L397-C400 VanDerWaalsContact O-CB 3.27Å; L397-C400 WeakPolarHBondContact O-CB 3.5Å; L397-C400 PolarHBondContact O-N 3.42Å; S398-C400 VanDerWaalsContact C-N 3.26Å; S398-C400 PolarHBondContact O-N 3.14Å; C400-K402 PolarHBondContact O-N 2.86Å; C400-I403 HydrophobicContact CB-CB 4.41Å; C400-I403 HydrophobicContact CB-CG1 3.58Å; C400-I403 WeakPolarHBondContact O-CB 3.41Å; C400-I403 PolarHBondContact O-N 2.8Å; C400-C615 PolarHBondContact O-SG 3.46Å
401	E	92.1	Very high	95.9	Very high	81 Å²	81	28.3 Å²	28.3	38%	0.379	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.8	-172.4	-69.3	-174.6	176.9	0	0	114.7	G399 I403 Y616 Q617	G399-E401 VanDerWaalsContact C-N 3.28Å; G399-E401 PolarHBondContact O-N 3.08Å; E401-I403 VanDerWaalsContact C-N 3.32Å; E401-Y616 HydrophobicContact CB-CD1 4.29Å; E401-Y616 HydrophobicContact CB-CE1 3.61Å; E401-Y616 HydrophobicContact CG-CD1 4.15Å; E401-Y616 HydrophobicContact CG-CE1 3.73Å; E401-Q617 PolarHBondContact O-NE2 3.44Å
402	K	94.9	Very high	96	Very high	92 Å²	92	27 Å²	27	40%	0.4	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	4.2	-179.3	-61.3	179.9	-179.4	166.6	0	113.9	D374 T376 C400	D374-K402 VanDerWaalsContact OD1-CD 3.28Å; D374-K402 WeakPolarHBondContact OD1-CD 3.44Å; D374-K402 WeakPolarHBondContact OD1-CE 3.31Å; D374-K402 IonicContact OD1-NZ 3.65Å; D374-K402 PolarHBondContact OD1-NZ 3.27Å; D374-K402 IonicContact OD2-NZ 3.59Å; D374-K402 PolarHBondContact OD2-NZ 3.1Å; T376-K402 HydrophobicContact CG2-CB 3.89Å; T376-K402 HydrophobicContact CG2-CD 3.8Å; T376-K402 HydrophobicContact CG2-CG 4.49Å; C400-K402 PolarHBondContact O-N 2.86Å
403	I	97.3	Very high	95.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.			trans	-83.6	134.6	175.6	-65.3	-65.4	0	0	0	110.4	V375 F380 L397 C400 E401 T407	V375-I403 HydrophobicContact CG2-CD1 4.29Å; F380-I403 HydrophobicContact CD2-CD1 4.25Å; F380-I403 HydrophobicContact CE2-CD1 3.75Å; L397-I403 HydrophobicContact CD1-CG2 4.28Å; C400-I403 HydrophobicContact CB-CB 4.41Å; C400-I403 HydrophobicContact CB-CG1 3.58Å; C400-I403 WeakPolarHBondContact O-CB 3.41Å; C400-I403 PolarHBondContact O-N 2.8Å; E401-I403 VanDerWaalsContact C-N 3.32Å; I403-T407 HydrophobicContact CG2-CG2 4.17Å
404	T	97.9	Very high	95.7	Very high	36 Å²	36	26.1 Å²	26.1	22%	0.221	13%	0.127	C	C	.	.			trans	-123.4	-176.4	-179.3	76.6	0	0	0	0	111.4	D377 Q406 T407 Q617	D377-T404 VanDerWaalsContact CG-OG1 3.26Å; D377-T404 PolarHBondContact OD1-N 2.66Å; D377-T404 PolarHBondContact OD1-OG1 2.89Å; D377-T404 WeakPolarHBondContact OD2-CB 3.46Å; D377-T404 WeakPolarHBondContact OD2-CG2 3.17Å; D377-T404 PolarHBondContact OD2-N 3.16Å; D377-T404 PolarHBondContact OD2-OG1 3.32Å; T404-Q406 PolarHBondContact O-N 3.03Å; T404-Q406 PolarHBondContact OG1-N 3.49Å; T404-T407 PolarHBondContact O-N 2.9Å; T404-T407 VanDerWaalsContact O-N 3.16Å; T404-Q617 HydrophobicContact CG2-CB 4.1Å
405	D	98.1	Very high	95.4	Very high	17 Å²	17	24.2 Å²	24.2	9%	0.091	12%	0.118	C	C	.	.	H	α-helix	trans	-54.8	-20.2	173.5	-61.4	-33.8	0	0	0	113.8	T407 L408 K409 T619 G622	D405-T407 VanDerWaalsContact C-N 3.35Å; D405-L408 PolarHBondContact O-N 3.16Å; D405-K409 WeakPolarHBondContact O-CG 3.15Å; D405-K409 PolarHBondContact O-N 3.22Å; D405-T619 PolarHBondContact OD1-N 3.1Å; D405-T619 PolarHBondContact OD2-OG1 3.02Å; D405-G622 WeakPolarHBondContact OD1-CA 3.22Å; D405-G622 PolarHBondContact OD1-N 2.91Å; D405-G622 VanDerWaalsContact OD1-N 3.13Å
406	Q	97.8	Very high	95	Very high	75 Å²	75	24.4 Å²	24.4	35%	0.35	12%	0.12	S	C	.	.	H	α-helix	trans	-64.9	-38.6	179.3	-172.6	57.8	33.8	0	0	112	D377 T404 K409 R410	D377-Q406 HydrophobicContact CB-CB 4.1Å; D377-Q406 HydrophobicContact CB-CG 4.3Å; T404-Q406 PolarHBondContact O-N 3.03Å; T404-Q406 PolarHBondContact OG1-N 3.49Å; Q406-K409 PolarHBondContact O-N 2.89Å; Q406-R410 WeakPolarHBondContact O-CG 3.48Å; Q406-R410 PolarHBondContact O-N 2.82Å; Q406-R410 VanDerWaalsContact O-N 3.08Å
407	T	97.9	Very high	94.2	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-63	-42.9	172.8	-67.2	0	0	0	0	111.4	D377 F380 L397 I403 T404 D405 K409 R410 L411	D377-T407 WeakPolarHBondContact CA-OG1 3.48Å; D377-T407 VanDerWaalsContact OD1-CB 3.32Å; D377-T407 WeakPolarHBondContact OD1-CB 3.42Å; D377-T407 PolarHBondContact OD1-N 2.95Å; D377-T407 PolarHBondContact OD1-OG1 3.39Å; F380-T407 HydrophobicContact CB-CG2 4.44Å; F380-T407 HydrophobicContact CD2-CG2 3.52Å; F380-T407 HydrophobicContact CE2-CG2 3.82Å; F380-T407 HydrophobicContact CG-CG2 3.9Å; F380-T407 HydrophobicContact CZ-CG2 4.41Å; L397-T407 HydrophobicContact CD1-CG2 4.11Å; I403-T407 HydrophobicContact CG2-CG2 4.17Å; T404-T407 PolarHBondContact O-N 2.9Å; T404-T407 VanDerWaalsContact O-N 3.16Å; D405-T407 VanDerWaalsContact C-N 3.35Å; T407-K409 PolarHBondContact O-N 3.17Å; T407-R410 WeakPolarHBondContact O-CB 3.3Å; T407-R410 PolarHBondContact O-N 3.37Å; T407-L411 WeakPolarHBondContact O-CB 3.38Å; T407-L411 PolarHBondContact O-N 3.29Å
408	L	97.6	Very high	92.5	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-66.5	-36.5	179.7	-65.6	165.5	0	0	0	112.5	D405 L411 S412 L612 V618 L626	D405-L408 PolarHBondContact O-N 3.16Å; L408-L411 PolarHBondContact O-N 3.34Å; L408-S412 PolarHBondContact O-N 3.14Å; L408-L612 HydrophobicContact CD1-CD1 4.06Å; L408-L612 HydrophobicContact CD2-CD1 3.66Å; L408-L612 HydrophobicContact CD2-CD2 4.25Å; L408-L612 HydrophobicContact CG-CD1 4.42Å; L408-V618 HydrophobicContact CD1-CB 4.34Å; L408-V618 HydrophobicContact CD1-CG1 3.41Å; L408-V618 VanDerWaalsContact CD1-CG1 3.41Å; L408-V618 HydrophobicContact CD1-CG2 3.98Å; L408-L626 HydrophobicContact CB-CG 4.37Å; L408-L626 HydrophobicContact CD2-CD1 3.6Å; L408-L626 HydrophobicContact CD2-CD2 4.31Å; L408-L626 HydrophobicContact CD2-CG 4.09Å
409	K	96.4	Very high	90.6	Very high	87 Å²	87	32.9 Å²	32.9	38%	0.378	17%	0.171	S	C	.	.	H	α-helix	trans	-61.8	-45.9	171.4	-71.9	167.9	-171.6	166.7	0	111.5	D405 Q406 T407 S412 V413 A625	D405-K409 WeakPolarHBondContact O-CG 3.15Å; D405-K409 PolarHBondContact O-N 3.22Å; Q406-K409 PolarHBondContact O-N 2.89Å; T407-K409 PolarHBondContact O-N 3.17Å; K409-S412 PolarHBondContact O-N 3Å; K409-V413 WeakPolarHBondContact O-CG2 3.4Å; K409-V413 PolarHBondContact O-N 2.91Å; K409-A625 HydrophobicContact CB-CB 4.48Å; K409-A625 HydrophobicContact CG-CB 3.74Å
410	R	96.3	Very high	88.6	Confident	37 Å²	37	35.5 Å²	35.5	14%	0.14	19%	0.189	C	C	.	.	H	α-helix	trans	-63.8	-42.2	176.2	-71.8	170.5	173.6	146.6	3.4	111.3	D377 F380 D381 W383 Q406 T407 V413 G414	D377-R410 PolarHBondContact O-NH1 2.79Å; F380-R410 WeakPolarHBondContact O-CD 3.44Å; D381-R410 IonicContact OD1-CZ 3.9Å; D381-R410 IonicContact OD1-NE 2.83Å; D381-R410 PolarHBondContact OD1-NE 3.05Å; D381-R410 IonicContact OD1-NH1 2.69Å; D381-R410 PolarHBondContact OD1-NH1 3.25Å; D381-R410 IonicContact OD1-NH2 3.05Å; D381-R410 PolarHBondContact OD1-NH2 3.23Å; W383-R410 HydrophobicContact CB-CB 4.3Å; W383-R410 VanDerWaalsContact O-O 3.11Å; Q406-R410 WeakPolarHBondContact O-CG 3.48Å; Q406-R410 PolarHBondContact O-N 2.82Å; Q406-R410 VanDerWaalsContact O-N 3.08Å; T407-R410 WeakPolarHBondContact O-CB 3.3Å; T407-R410 PolarHBondContact O-N 3.37Å; R410-V413 PolarHBondContact O-N 3.46Å; R410-G414 PolarHBondContact O-N 3.32Å
411	L	95.8	Very high	86.2	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-47.1	175.8	-179.5	61.6	0	0	0	111.5	W383 L392 L395 T407 L408 V413 G414 L415 L607 L610 L626	W383-L411 HydrophobicContact CE3-CD1 4.14Å; W383-L411 HydrophobicContact CZ3-CD1 3.85Å; L392-L411 HydrophobicContact CD2-CD1 3.76Å; L395-L411 HydrophobicContact CD2-CD1 4.13Å; L395-L411 HydrophobicContact CD2-CD2 3.69Å; T407-L411 WeakPolarHBondContact O-CB 3.38Å; T407-L411 PolarHBondContact O-N 3.29Å; L408-L411 PolarHBondContact O-N 3.34Å; L411-V413 VanDerWaalsContact C-N 3.29Å; L411-V413 PolarHBondContact O-N 3.09Å; L411-G414 PolarHBondContact O-N 2.97Å; L411-L415 HydrophobicContact CD1-CD1 4Å; L411-L415 HydrophobicContact CD1-CD2 4.34Å; L411-L415 HydrophobicContact CD1-CG 3.93Å; L411-L415 HydrophobicContact CG-CD1 3.95Å; L411-L415 HydrophobicContact CG-CG 4.32Å; L411-L415 WeakPolarHBondContact O-CB 3.4Å; L411-L415 VanDerWaalsContact O-CG 3.26Å; L411-L415 WeakPolarHBondContact O-CG 3.33Å; L411-L415 PolarHBondContact O-N 3.32Å; L411-L607 HydrophobicContact CD2-CD2 4.35Å; L411-L610 HydrophobicContact CD2-CD1 4.4Å; L411-L626 HydrophobicContact CB-CD2 4.3Å; L411-L626 HydrophobicContact CD2-CD2 3.93Å; L411-L626 HydrophobicContact CG-CD2 4.09Å
412	S	94.3	Very high	83.8	Confident	4 Å²	4	43.6 Å²	43.6	3%	0.028	24%	0.24	C	C	.	.	H	α-helix	trans	-58.2	-40.6	177	-175.5	0	0	0	0	112.6	L408 K409 R605 A625	L408-S412 PolarHBondContact O-N 3.14Å; K409-S412 PolarHBondContact O-N 3Å; S412-R605 PolarHBondContact O-NH2 3.32Å; S412-R605 PolarHBondContact OG-NH2 3.37Å; S412-A625 WeakPolarHBondContact CB-O 3.28Å; S412-A625 PolarHBondContact OG-O 3.35Å
413	V	92.9	Very high	81.1	Confident	42 Å²	42	44 Å²	44	26%	0.255	25%	0.254	S	S	.	.	H	α-helix	trans	-69.5	-47.2	174.7	174.6	0	0	0	0	111.1	L386 G387 K409 R410 L411 L415 G416	L386-V413 WeakPolarHBondContact CA-O 3.47Å; G387-V413 PolarHBondContact N-O 3.27Å; K409-V413 WeakPolarHBondContact O-CG2 3.4Å; K409-V413 PolarHBondContact O-N 2.91Å; R410-V413 PolarHBondContact O-N 3.46Å; L411-V413 VanDerWaalsContact C-N 3.29Å; L411-V413 PolarHBondContact O-N 3.09Å; V413-L415 VanDerWaalsContact C-N 3.32Å; V413-L415 PolarHBondContact O-N 3.15Å; V413-G416 WeakPolarHBondContact O-CA 3.38Å; V413-G416 PolarHBondContact O-N 3.09Å
414	G	93.3	Very high	78.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-33.3	-177	0	0	0	0	0	113.6	G387 A388 C389 R390 R410 L411 G416	G387-G414 CarbonylContact C-O 3.46Å; G387-G414 WeakPolarHBondContact CA-O 3.32Å; G387-G414 PolarHBondContact N-O 2.94Å; A388-G414 PolarHBondContact N-O 2.75Å; C389-G414 CarbonylContact C-O 3.52Å; C389-G414 PolarHBondContact N-O 3.19Å; C389-G414 VanDerWaalsContact SG-CA 3.57Å; R390-G414 PolarHBondContact N-O 2.78Å; R410-G414 PolarHBondContact O-N 3.32Å; L411-G414 PolarHBondContact O-N 2.97Å; G414-G416 PolarHBondContact O-N 2.66Å
415	L	92.5	Very high	75.4	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.016	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.8	174.2	-70.4	171	0	0	0	112.7	L392 L411 V413 R605 L607 L632	L392-L415 HydrophobicContact CB-CD2 4.26Å; L411-L415 HydrophobicContact CD1-CD1 4Å; L411-L415 HydrophobicContact CD1-CD2 4.34Å; L411-L415 HydrophobicContact CD1-CG 3.93Å; L411-L415 HydrophobicContact CG-CD1 3.95Å; L411-L415 HydrophobicContact CG-CG 4.32Å; L411-L415 WeakPolarHBondContact O-CB 3.4Å; L411-L415 VanDerWaalsContact O-CG 3.26Å; L411-L415 WeakPolarHBondContact O-CG 3.33Å; L411-L415 PolarHBondContact O-N 3.32Å; V413-L415 VanDerWaalsContact C-N 3.32Å; V413-L415 PolarHBondContact O-N 3.15Å; L415-R605 HydrophobicContact CB-CG 4.02Å; L415-L607 HydrophobicContact CD1-CB 4.4Å; L415-L607 HydrophobicContact CD1-CD2 4.23Å; L415-L607 HydrophobicContact CD2-CB 4.27Å; L415-L632 HydrophobicContact CD1-CD2 3.66Å
416	G	87.6	Confident	72.4	Confident	5 Å²	5	63.5 Å²	63.5	5%	0.052	35%	0.348	C	S	.	.			trans	78.3	-179.5	177.4	0	0	0	0	0	114.7	V413 G414 R605	V413-G416 WeakPolarHBondContact O-CA 3.38Å; V413-G416 PolarHBondContact O-N 3.09Å; G414-G416 PolarHBondContact O-N 2.66Å; G416-R605 PolarHBondContact O-NE 3.34Å; G416-R605 PolarHBondContact O-NH2 2.92Å
417	D	80.8	Confident	69.5	Low	43 Å²	43	66.1 Å²	66.1	23%	0.23	36%	0.36	C	S	.	.			trans	-100.7	132.7	179.2	-66.1	-29	0	0	0	111.1	V419 S420 R629	D417-V419 PolarHBondContact O-N 3.04Å; D417-V419 VanDerWaalsContact O-N 3.1Å; D417-S420 PolarHBondContact O-N 2.9Å; D417-S420 PolarHBondContact O-OG 3.48Å; D417-S420 VanDerWaalsContact O-OG 3.06Å; D417-R629 VanDerWaalsContact OD1-CB 3.29Å; D417-R629 WeakPolarHBondContact OD1-CB 3.36Å; D417-R629 WeakPolarHBondContact OD1-CD 3.15Å; D417-R629 WeakPolarHBondContact OD1-CG 3.5Å; D417-R629 IonicContact OD1-CZ 2.75Å; D417-R629 IonicContact OD1-NE 3.98Å; D417-R629 IonicContact OD1-NH1 3.86Å; D417-R629 PolarHBondContact OD1-NH1 3.15Å; D417-R629 IonicContact OD2-NH1 3.7Å; D417-R629 PolarHBondContact OD2-NH1 3.41Å
418	P	60.2	Low	66.6	Low	33 Å²	33	70.1 Å²	70.1	21%	0.214	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-7.5	-179.2	24.8	-31.1	0	0	0	114.9	A603 R629	P418-A603 CarbonylContact C-O 3.03Å; P418-A603 WeakPolarHBondContact CA-O 3.45Å; P418-A603 WeakPolarHBondContact CB-O 3.18Å; P418-A603 VanDerWaalsContact O-O 3.08Å; P418-R629 WeakPolarHBondContact CD-O 3.42Å
419	V	55	Low	63.7	Low	126 Å²	126	76.2 Å²	76.2	76%	0.764	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-3.8	-173.6	-169.6	0	0	0	0	112.7	D417 S421	D417-V419 PolarHBondContact O-N 3.04Å; D417-V419 VanDerWaalsContact O-N 3.1Å; V419-S421 VanDerWaalsContact C-N 3.33Å; V419-S421 PolarHBondContact O-N 2.87Å
420	S	49	Very low	60.6	Low	62 Å²	62	80.9 Å²	80.9	43%	0.434	43%	0.432	S	S	.	.			trans	-84.1	13.4	-168	63.3	0	0	0	0	116.5	D417 I422	D417-S420 PolarHBondContact O-N 2.9Å; D417-S420 PolarHBondContact O-OG 3.48Å; D417-S420 VanDerWaalsContact O-OG 3.06Å; S420-I422 PolarHBondContact O-N 3.38Å
421	S	42.6	Very low	57.7	Low	93 Å²	93	89.6 Å²	89.6	65%	0.65	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	20.5	-175.7	69.4	0	0	0	0	115.8	V419	V419-S421 VanDerWaalsContact C-N 3.33Å; V419-S421 PolarHBondContact O-N 2.87Å
422	I	42.4	Very low	54.9	Low	157 Å²	157	92.8 Å²	92.8	81%	0.805	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-4.5	-176.9	-65.3	179.2	0	0	0	114.4	S420	S420-I422 PolarHBondContact O-N 3.38Å
423	S	36.8	Very low	52.1	Low	100 Å²	100	100.3 Å²	100.3	70%	0.699	52%	0.524	S	S	*	.	S	Bend	trans	-147.6	14.1	-175.4	69.9	0	0	0	0	120.2
424	L	41.1	Very low	49.2	Very low	134 Å²	134	105.8 Å²	105.8	70%	0.702	55%	0.551	S	S	*	*			trans	-107.9	5.9	-176.3	-118.4	97.6	0	0	0	118.2	K426	L424-K426 PolarHBondContact O-N 3.46Å
425	D	36.1	Very low	46.5	Very low	148 Å²	148	113.5 Å²	113.5	79%	0.791	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	2.4	176.5	-81.3	-21.8	0	0	0	114.8
426	K	34.7	Very low	43.7	Very low	182 Å²	182	122 Å²	122	79%	0.791	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	-5.4	178.9	-72.3	-174.8	177.9	178.2	0	115.4	L424	L424-K426 PolarHBondContact O-N 3.46Å
427	H	35.5	Very low	40.8	Very low	130 Å²	130	127.7 Å²	127.7	60%	0.602	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-16.9	-175.9	-98.3	-87.6	0	0	0	115.2
428	S	38.6	Very low	38.4	Very low	84 Å²	84	130.9 Å²	130.9	59%	0.587	69%	0.691	S	S	*	*	H	α-helix	trans	-71.8	-28.9	173.7	56.7	0	0	0	0	112.7	R430	S428-R430 VanDerWaalsContact C-N 3.34Å; S428-R430 PolarHBondContact O-N 2.85Å
429	E	35.5	Very low	37.1	Very low	130 Å²	130	135.5 Å²	135.5	61%	0.607	72%	0.721	S	S	*	*	H	α-helix	trans	-72.9	-20	177.2	-75.4	-168.8	148.2	0	0	114.6
430	R	30.8	Very low	35.9	Very low	185 Å²	185	136 Å²	136	70%	0.698	72%	0.724	S	S	*	*	H	α-helix	trans	-80.4	-26.4	179.7	-105.9	-179.5	177.2	-179.1	-1.1	113.4	S428	S428-R430 VanDerWaalsContact C-N 3.34Å; S428-R430 PolarHBondContact O-N 2.85Å
431	R	36.8	Very low	35	Very low	219 Å²	219	138.5 Å²	138.5	83%	0.826	74%	0.739	S	S	*	*	H	α-helix	trans	-81.2	-25.9	176.4	-92.5	-180	163.5	153.3	-5	113.3	K433	R431-K433 VanDerWaalsContact C-N 3.28Å; R431-K433 PolarHBondContact O-N 3.24Å
432	A	36.7	Very low	34.2	Very low	69 Å²	69	142 Å²	142	57%	0.57	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-14.9	173.6	0	0	0	0	0	113.9
433	K	34.6	Very low	33.4	Very low	161 Å²	161	140.7 Å²	140.7	70%	0.7	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	0.7	-177.7	-78.1	178.4	178	170	0	115.3	R431	R431-K433 VanDerWaalsContact C-N 3.28Å; R431-K433 PolarHBondContact O-N 3.24Å
434	L	32.3	Very low	32.7	Very low	157 Å²	157	144.5 Å²	144.5	82%	0.822	76%	0.76	S	S	*	*	S	Bend	trans	-106.4	0.3	176.8	-78.9	165.6	0	0	0	114.5
435	L	37.3	Very low	31.9	Very low	162 Å²	162	145 Å²	145	85%	0.848	77%	0.768	S	S	*	*	S	Bend	trans	-122.6	16	178.1	-86.8	162.5	0	0	0	114.5
436	K	34.3	Very low	31.3	Very low	182 Å²	182	146.5 Å²	146.5	79%	0.791	77%	0.77	S	S	*	*			trans	-132.7	80.6	170.5	-77.7	-175.3	178	179	0	110.9
437	S	26.3	Very low	30.7	Very low	124 Å²	124	144.2 Å²	144.2	87%	0.867	76%	0.763	S	S	*	*			trans	-92.4	88.2	153.1	58.4	0	0	0	0	108.4
438	C	30.3	Very low	30.2	Very low	111 Å²	111	147 Å²	147	75%	0.75	77%	0.768	S	S	*	*			trans	-103.9	141.7	154.3	-76.9	0	0	0	0	107.7
439	P	32.7	Very low	29.4	Very low	129 Å²	129	149.9 Å²	149.9	84%	0.838	78%	0.777	S	S	*	*			trans	-71.3	150.6	168.8	-7.2	24.1	0	0	0	111
440	V	30	Very low	28.9	Very low	137 Å²	137	150.9 Å²	150.9	83%	0.83	79%	0.785	S	S	*	*			trans	-81.6	-176.8	-172.1	-139.2	0	0	0	0	112.2
441	P	30.2	Very low	28.6	Very low	114 Å²	114	149.7 Å²	149.7	74%	0.74	79%	0.787	S	S	*	*				-106.3	158.6	-128.4	34.9	-14.2	0	0	0	113.1
442	I	25.3	Very low	28	Very low	167 Å²	167	145.1 Å²	145.1	86%	0.856	78%	0.784	S	S	*	*			trans	-128.7	125.1	164.7	-58.2	179.9	0	0	0	109.7
443	T	24.9	Very low	27.6	Very low	130 Å²	130	149 Å²	149	80%	0.798	80%	0.8	S	S	*	*			trans	-60.3	145.9	175.1	37.5	0	0	0	0	113.3
444	L	23.9	Very low	27.1	Very low	179 Å²	179	144.6 Å²	144.6	94%	0.937	80%	0.801	S	S	*	*			trans	-52.2	127.1	170.8	-72.6	156.3	0	0	0	112.9
445	V	22.3	Very low	27	Very low	145 Å²	145	147.2 Å²	147.2	88%	0.879	80%	0.8	S	S	*	*			trans	-141.6	136.9	149.7	179.6	0	0	0	0	108.2
446	E	24.4	Very low	26.5	Very low	179 Å²	179	151.5 Å²	151.5	84%	0.836	81%	0.805	S	S	*	*			trans	-72.2	164.4	-177	-69.4	175.1	127.1	0	0	115.4
447	E	22.6	Very low	26.2	Very low	135 Å²	135	150.5 Å²	150.5	63%	0.631	80%	0.803	S	S	*	*			trans	94	116.7	150.3	-70.7	-147.6	133.1	0	0	121.9
448	R	23.8	Very low	26.3	Very low	189 Å²	189	153.8 Å²	153.8	71%	0.713	80%	0.804	S	S	*	*			trans	89.3	114.5	132.1	-71.4	173.4	-170.2	172.8	12.1	121.7
449	N	23	Very low	26	Very low	144 Å²	144	153 Å²	153	77%	0.77	81%	0.806	S	S	*	*			trans	78	136.7	132.8	-65.4	-32.9	0	0	0	122
450	L	23.7	Very low	25.7	Very low	151 Å²	151	154.3 Å²	154.3	79%	0.791	80%	0.804	S	S	*	*			trans	110.7	98.3	148.8	-60.8	167.7	0	0	0	119.2
451	H	24.3	Very low	25.5	Very low	160 Å²	160	155.1 Å²	155.1	74%	0.741	80%	0.802	S	S	*	*				49.1	115.9	124.5	-67.5	-55.4	0	0	0	124
452	T	25.9	Very low	25.2	Very low	122 Å²	122	159.4 Å²	159.4	75%	0.748	81%	0.81	S	S	*	*				52	135.1	124.1	61.1	0	0	0	0	123.4
453	V	26.6	Very low	25.1	Very low	150 Å²	150	161.1 Å²	161.1	91%	0.909	81%	0.811	S	S	*	*			trans	146.8	132.6	136.1	167.7	0	0	0	0	106.6
454	G	24.5	Very low	25.2	Very low	70 Å²	70	164.8 Å²	164.8	72%	0.722	82%	0.818	S	S	*	*			cis	165.3	135.8	7	0	0	0	0	0	107.5
455	R	31.1	Very low	25	Very low	212 Å²	212	159.1 Å²	159.1	80%	0.8	80%	0.804	S	S	*	*			trans	-32.5	157.4	-179.3	-67.3	175.4	172.1	-161.2	-2.1	118.9
456	R	26.5	Very low	25.1	Very low	251 Å²	251	158.8 Å²	158.8	95%	0.947	80%	0.802	S	S	*	*				-165	130.9	109.8	-103.7	170.1	-172	-170.1	2.5	114.6
457	Q	28.8	Very low	25.1	Very low	162 Å²	162	155.8 Å²	155.8	76%	0.757	80%	0.801	S	S	*	*			trans	-70	154.7	169.6	-64.4	159	-50.7	0	0	111.6
458	Q	27.5	Very low	25.2	Very low	192 Å²	192	159.4 Å²	159.4	90%	0.897	81%	0.809	S	S	*	*			trans	-147.9	129.3	136.3	-71.3	-167.6	-22.4	0	0	110.6
459	A	25	Very low	25.3	Very low	94 Å²	94	161.7 Å²	161.7	78%	0.777	82%	0.817	S	S	*	*			trans	-107.6	137.4	167.6	0	0	0	0	0	108
460	I	25.4	Very low	25.3	Very low	157 Å²	157	158.8 Å²	158.8	81%	0.805	82%	0.821	S	S	*	*			trans	-145.4	137.3	162.6	-57.4	-175.8	0	0	0	112
461	I	25.4	Very low	25.3	Very low	154 Å²	154	157.6 Å²	157.6	79%	0.79	83%	0.826	S	S	*	*			trans	-67.9	150	179.8	-65.8	151.7	0	0	0	113.5
462	F	24.4	Very low	25.3	Very low	205 Å²	205	154.3 Å²	154.3	90%	0.899	83%	0.826	S	S	*	*			trans	-76.4	132.6	170.6	-77.8	-88.4	0	0	0	112.6
463	K	24	Very low	25.2	Very low	202 Å²	202	154.7 Å²	154.7	88%	0.878	83%	0.833	S	S	*	*			trans	-130.6	141.3	158.1	-93.6	-167.2	175.5	-176.1	0	110.3
464	H	25.3	Very low	25	Very low	207 Å²	207	155 Å²	155	96%	0.958	83%	0.828	S	S	*	*			trans	-63.3	146.7	173.5	-102.9	-81.9	0	0	0	113.3
465	G	21.4	Very low	24.9	Very low	61 Å²	61	157.3 Å²	157.3	63%	0.629	83%	0.83	S	S	*	*			trans	144.6	96.7	154.1	0	0	0	0	0	117.2
466	T	24.1	Very low	24.5	Very low	137 Å²	137	152.9 Å²	152.9	84%	0.84	83%	0.827	S	S	*	*			trans	45.1	128.9	139.7	53.8	0	0	0	0	123.1
467	S	23.2	Very low	24.4	Very low	116 Å²	116	149.4 Å²	149.4	81%	0.811	82%	0.821	S	S	*	*			trans	98.2	112.1	138.9	77.5	0	0	0	0	121
468	R	25.8	Very low	24	Very low	212 Å²	212	147.3 Å²	147.3	80%	0.8	82%	0.819	S	S	*	*				69.9	113.1	125.6	-132.2	178	-165.6	-174.6	5.1	122.2
469	W	25.1	Very low	23.9	Very low	236 Å²	236	149.3 Å²	149.3	89%	0.894	82%	0.818	S	S	*	*			trans	54.8	126.2	141.4	-78.2	-14.3	0	0	0	123
470	G	23.6	Very low	23.8	Very low	83 Å²	83	151 Å²	151	86%	0.856	82%	0.819	S	S	*	*			trans	168.2	105.3	154	0	0	0	0	0	114.6
471	S	23.7	Very low	23.7	Very low	127 Å²	127	151 Å²	151	89%	0.888	82%	0.819	S	S	*	*			trans	-50.6	151.7	-175.1	-62.4	0	0	0	0	120.4
472	A	23.5	Very low	23.7	Very low	90 Å²	90	149.2 Å²	149.2	74%	0.744	81%	0.812	S	S	*	*				175	106	112	0	0	0	0	0	110.5
473	C	23.9	Very low	23.8	Very low	131 Å²	131	146.4 Å²	146.4	89%	0.885	81%	0.811	S	S	*	*				96.1	104.1	95.4	-79.3	0	0	0	0	114.8
474	I	22.2	Very low	24	Very low	157 Å²	157	141.4 Å²	141.4	81%	0.805	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-100.3	143.9	164.1	-62.4	169.3	0	0	0	107.2	T476	I474-T476 PolarHBondContact O-N 3.24Å
475	P	23.4	Very low	24.3	Very low	117 Å²	117	135 Å²	135	76%	0.76	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-74.9	125.4	170.4	3.6	12	0	0	0	110.7
476	T	21.6	Very low	24.6	Very low	120 Å²	120	139.4 Å²	139.4	74%	0.736	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-74.6	133.6	175.5	38.3	0	0	0	0	111.7	I474	I474-T476 PolarHBondContact O-N 3.24Å
477	H	25.1	Very low	25.1	Very low	178 Å²	178	136.9 Å²	136.9	82%	0.824	78%	0.781	S	S	*	*			trans	-103.3	113.6	151.1	-81.2	-75.2	0	0	0	107.9
478	V	21.2	Very low	25.3	Very low	118 Å²	118	137.8 Å²	137.8	72%	0.715	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-78.5	122.9	177.1	174.3	0	0	0	0	108.4
479	W	24.7	Very low	25.6	Very low	233 Å²	233	133 Å²	133	88%	0.883	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-91.8	121.6	162.3	-70	92	0	0	0	108.3
480	V	24.1	Very low	26.1	Very low	131 Å²	131	130.8 Å²	130.8	79%	0.794	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-77.5	121.6	171.1	175.2	0	0	0	0	107.1	D482	V480-D482 PolarHBondContact O-N 3.46Å
481	L	22.6	Very low	26.6	Very low	156 Å²	156	134.1 Å²	134.1	82%	0.817	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-66	125.9	174.8	-74.7	157.6	0	0	0	110
482	D	24.8	Very low	26.8	Very low	117 Å²	117	131.6 Å²	131.6	63%	0.626	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-80.6	119.4	166.3	-171.3	-16.9	0	0	0	108.3	V480 S484	V480-D482 PolarHBondContact O-N 3.46Å; D482-S484 VanDerWaalsContact CG-OG 3.31Å; D482-S484 PolarHBondContact O-N 3.18Å; D482-S484 PolarHBondContact OD1-N 3.4Å; D482-S484 PolarHBondContact OD1-OG 3.23Å
483	T	25.8	Very low	27.1	Very low	145 Å²	145	131.9 Å²	131.9	89%	0.89	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	14.9	-174.8	47.1	0	0	0	0	114.1
484	S	30.1	Very low	27.5	Very low	98 Å²	98	132.8 Å²	132.8	69%	0.685	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	1	178.5	60.8	0	0	0	0	115.1	D482	D482-S484 VanDerWaalsContact CG-OG 3.31Å; D482-S484 PolarHBondContact O-N 3.18Å; D482-S484 PolarHBondContact OD1-N 3.4Å; D482-S484 PolarHBondContact OD1-OG 3.23Å
485	S	30	Very low	27.8	Very low	71 Å²	71	137.1 Å²	137.1	50%	0.497	75%	0.751	S	S	.	*			trans	-103.4	91.1	174	-174.7	0	0	0	0	111.2	A487	S485-A487 PolarHBondContact O-N 3.41Å
486	L	29.3	Very low	27.9	Very low	155 Å²	155	136.6 Å²	136.6	81%	0.812	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	26.3	174.5	-111.4	160.8	0	0	0	112.3	I489	L486-I489 HydrophobicContact CD2-CD1 4.13Å
487	A	33.1	Very low	28.2	Very low	83 Å²	83	139.3 Å²	139.3	69%	0.686	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	4.7	-176.4	0	0	0	0	0	114.2	S485 I489	S485-A487 PolarHBondContact O-N 3.41Å; A487-I489 VanDerWaalsContact C-N 3.3Å
488	D	28.5	Very low	28.3	Very low	135 Å²	135	142.4 Å²	142.4	72%	0.722	76%	0.758	S	S	*	*	S	Bend	trans	-94	20.5	173.9	-69	-46.1	0	0	0	112.6
489	I	31.3	Very low	28.5	Very low	112 Å²	112	140.8 Å²	140.8	57%	0.574	77%	0.765	S	S	*	*			trans	-126.7	53.8	-179.5	-44.4	179.1	0	0	0	110.2	L486 A487 A492	L486-I489 HydrophobicContact CD2-CD1 4.13Å; A487-I489 VanDerWaalsContact C-N 3.3Å; I489-A492 HydrophobicContact CG2-CB 4.08Å
490	E	35.2	Very low	28.5	Very low	189 Å²	189	133 Å²	133	88%	0.883	76%	0.757	S	S	*	*	S	Bend	trans	-115.9	-0.7	158	-84.3	-174.7	164.4	0	0	112.9
491	D	34	Very low	28.4	Very low	154 Å²	154	135.4 Å²	135.4	82%	0.824	76%	0.762	S	S	*	*	S	Bend	trans	-117.9	20.8	175.8	-77.1	-18.8	0	0	0	112.5
492	A	29.2	Very low	28.8	Very low	74 Å²	74	132.5 Å²	132.5	61%	0.612	75%	0.753	S	S	*	*			trans	-113.8	24.1	-177.2	0	0	0	0	0	114.2	I489	I489-A492 HydrophobicContact CG2-CB 4.08Å
493	A	29	Very low	28.6	Very low	95 Å²	95	136.5 Å²	136.5	79%	0.785	77%	0.765	S	S	*	*			trans	-108.3	66	172.5	0	0	0	0	0	110.5
494	E	31.6	Very low	28.5	Very low	150 Å²	150	133.6 Å²	133.6	70%	0.701	75%	0.751	S	S	*	*	S	Bend	trans	-153.2	0.4	165.7	-119.5	165.6	-147.7	0	0	114.7
495	W	29.2	Very low	28.1	Very low	248 Å²	248	137.1 Å²	137.1	94%	0.939	76%	0.756	S	S	*	*			trans	-119.6	90.2	175.1	-82.5	13.5	0	0	0	111.3
496	S	26.6	Very low	27.7	Very low	106 Å²	106	139 Å²	139	74%	0.741	77%	0.769	S	S	*	*			trans	179.6	79	140.5	29.6	0	0	0	0	113.9
497	H	27	Very low	27.5	Very low	177 Å²	177	139.2 Å²	139.2	82%	0.819	77%	0.77	S	S	*	*			trans	-144.9	69.7	153.8	-83.8	-53.3	0	0	0	113.7
498	R	26.3	Very low	26.9	Very low	243 Å²	243	139 Å²	139	92%	0.917	77%	0.769	S	S	*	*			trans	-146.7	118.8	141	-81.6	-159.8	-168	-123.1	-2.3	111.1
499	G	26.8	Very low	26.7	Very low	84 Å²	84	140.8 Å²	140.8	87%	0.866	77%	0.773	S	S	*	*			trans	148.4	65.3	168.9	0	0	0	0	0	113.1
500	G	23.6	Very low	26.2	Very low	69 Å²	69	140.9 Å²	140.9	71%	0.711	78%	0.779	S	S	*	*			trans	-76.9	151.6	173.6	0	0	0	0	0	113.3
501	M	22.4	Very low	25.7	Very low	182 Å²	182	137 Å²	137	90%	0.897	77%	0.768	S	S	*	*			trans	-179.8	159.4	132.5	-94.3	-50.9	132.1	0	0	109.7
502	P	31.2	Very low	25.2	Very low	95 Å²	95	137.5 Å²	137.5	62%	0.617	77%	0.766	S	S	*	*				-118.1	-178.4	-129.5	30.9	-11.5	0	0	0	116.4
503	F	21.6	Very low	24.9	Very low	201 Å²	201	140.7 Å²	140.7	88%	0.882	77%	0.772	S	S	*	*			trans	77.1	145.5	174.1	-68.9	-88.6	0	0	0	116.3
504	S	22.5	Very low	24.6	Very low	85 Å²	85	142.4 Å²	142.4	59%	0.594	77%	0.772	S	S	*	*			cis	-159.8	153.9	13.8	-163.6	0	0	0	0	110.4
505	E	21.7	Very low	24.2	Very low	171 Å²	171	138.5 Å²	138.5	80%	0.799	77%	0.772	S	S	*	*			trans	49.9	114.7	142.9	-77.9	171.9	154.1	0	0	124.2
506	S	22.2	Very low	23.9	Very low	110 Å²	110	130.7 Å²	130.7	77%	0.769	77%	0.769	S	S	*	*				98.3	137.3	117	93.9	0	0	0	0	121.7
507	L	24	Very low	23.9	Very low	160 Å²	160	131.5 Å²	131.5	84%	0.838	77%	0.774	S	S	*	*			trans	95.4	108.3	143.5	-133.2	74.9	0	0	0	119.3
508	A	21.9	Very low	23.8	Very low	80 Å²	80	128.1 Å²	128.1	66%	0.661	77%	0.769	S	S	*	*			trans	7.6	143.7	131.8	0	0	0	0	0	117.6
509	E	22.6	Very low	23.8	Very low	172 Å²	172	122.6 Å²	122.6	80%	0.804	77%	0.766	S	S	*	*				-168.4	152.9	56.5	-85.5	-178.8	136.2	0	0	110.5
510	T	22.3	Very low	23.7	Very low	113 Å²	113	124.5 Å²	124.5	69%	0.693	77%	0.765	S	S	*	*				17.1	136.9	128.2	-4.7	0	0	0	0	117.2
511	T	24.5	Very low	23.9	Very low	109 Å²	109	131.2 Å²	131.2	67%	0.669	78%	0.775	S	S	*	*				176.1	138.6	63.7	-20.2	0	0	0	0	110.6
512	Q	22.5	Very low	24.2	Very low	164 Å²	164	134.1 Å²	134.1	77%	0.766	78%	0.776	S	S	*	*			trans	31	134.7	131.8	-71.5	-177.8	-13.5	0	0	124.7
513	L	23.1	Very low	23.9	Very low	140 Å²	140	141.7 Å²	141.7	73%	0.733	79%	0.792	S	S	*	*				79.2	131.6	124.1	-77.2	163.2	0	0	0	122.7
514	V	23.5	Very low	24.1	Very low	132 Å²	132	143.6 Å²	143.6	80%	0.8	79%	0.793	S	S	*	*			trans	94.1	121.3	135.1	171.8	0	0	0	0	119.4
515	G	21.8	Very low	24.3	Very low	68 Å²	68	149.3 Å²	149.3	70%	0.701	80%	0.802	S	S	*	*				99	113.3	114.3	0	0	0	0	0	116.7
516	G	24.2	Very low	24.4	Very low	84 Å²	84	150.3 Å²	150.3	87%	0.866	81%	0.806	S	S	*	*			trans	-68.6	169.4	175.6	0	0	0	0	0	114.8
517	S	26.5	Very low	24.6	Very low	123 Å²	123	155.4 Å²	155.4	86%	0.86	81%	0.809	S	S	*	*			trans	-166.2	129.5	147.3	-173.4	0	0	0	0	110.8
518	C	23.8	Very low	24.7	Very low	106 Å²	106	154.6 Å²	154.6	72%	0.716	81%	0.811	S	S	*	*			trans	-72.8	147.7	168.4	167.8	0	0	0	0	110.9
519	C	26.8	Very low	24.8	Very low	126 Å²	126	154.1 Å²	154.1	85%	0.851	81%	0.813	S	S	*	*			trans	-170	108.3	147.6	-100.5	0	0	0	0	112.3
520	C	24.8	Very low	25.1	Very low	125 Å²	125	151.6 Å²	151.6	85%	0.845	82%	0.815	S	S	*	*			trans	-81.7	129.9	159.8	-55.5	0	0	0	0	110
521	K	28.5	Very low	25.2	Very low	209 Å²	209	153.8 Å²	153.8	91%	0.909	82%	0.822	S	S	*	*			trans	-136.3	124.5	155.4	-89.4	-170.5	178.2	173.2	0	111.4
522	R	28.5	Very low	25.4	Very low	244 Å²	244	153.1 Å²	153.1	92%	0.921	82%	0.822	S	S	*	*			trans	-63.6	149.5	165.9	-74.7	174.4	162.4	176.5	-4	111.4
523	R	25	Very low	25.7	Very low	253 Å²	253	149.7 Å²	149.7	96%	0.955	82%	0.816	S	S	*	*				-166.4	157.5	123	-106.6	177.9	-172.9	-132.3	3.4	113.7
524	R	26	Very low	25.9	Very low	241 Å²	241	152.6 Å²	152.6	91%	0.909	82%	0.819	S	S	*	*			trans	-76.3	148.9	-162.8	-78	171	161	173.5	-5.9	115.8
525	R	25.3	Very low	26.1	Very low	206 Å²	206	152.9 Å²	152.9	78%	0.777	82%	0.815	S	S	*	*			trans	28.6	132.8	137.9	-84.8	-176.8	170.9	-166.1	-1.2	120
526	H	24.8	Very low	26.4	Very low	192 Å²	192	156.2 Å²	156.2	89%	0.889	81%	0.812	S	S	*	*				-159.7	145.8	104.1	-97.7	-64.5	0	0	0	112.5
527	R	26.6	Very low	26.6	Very low	217 Å²	217	159 Å²	159	82%	0.819	80%	0.802	S	S	*	*			trans	-82	157.8	-179.8	-78.1	173.9	165.1	178.9	-6.6	112.2
528	T	26.6	Very low	26.7	Very low	143 Å²	143	159 Å²	159	88%	0.877	79%	0.789	S	S	*	*				-159.2	115.9	127.8	42.4	0	0	0	0	106.4
529	G	24.2	Very low	26.9	Very low	70 Å²	70	163.8 Å²	163.8	72%	0.722	79%	0.793	S	S	*	*				97.1	122.8	85.7	0	0	0	0	0	106.8
530	S	27.2	Very low	26.8	Very low	119 Å²	119	161.9 Å²	161.9	83%	0.832	79%	0.787	S	S	*	*				-178.1	160.6	55.1	-22.6	0	0	0	0	105.8
531	D	25.5	Very low	26.9	Very low	159 Å²	159	164 Å²	164	85%	0.85	79%	0.788	S	S	*	*			cis	-169.8	164	-12.4	-131	-26.2	0	0	0	107.5
532	S	27.4	Very low	26.9	Very low	95 Å²	95	158.8 Å²	158.8	66%	0.664	78%	0.778	S	S	*	*			trans	74.2	99	163.9	-177.6	0	0	0	0	118.9
533	S	29.3	Very low	26.6	Very low	92 Å²	92	150.7 Å²	150.7	64%	0.643	77%	0.771	S	S	*	*				76.6	133	69.9	90.9	0	0	0	0	112.9
534	Y	28.3	Very low	26.7	Very low	200 Å²	200	146.1 Å²	146.1	78%	0.784	76%	0.76	S	S	*	*			cis	-165.3	157.3	22	-113.4	-70.6	0	0	0	111
535	L	28.2	Very low	26.8	Very low	139 Å²	139	143.7 Å²	143.7	73%	0.728	76%	0.761	S	S	*	*			trans	65.4	142.9	148.8	-72.6	155.9	0	0	0	119.1
536	H	27.7	Very low	26.9	Very low	137 Å²	137	142.7 Å²	142.7	63%	0.634	76%	0.763	S	S	*	*			cis	-175.2	145.5	-8.5	-150.6	50.8	0	0	0	102.3
537	Q	27.2	Very low	27	Very low	142 Å²	142	139.8 Å²	139.8	66%	0.664	76%	0.763	S	S	*	*				163.7	117.7	68.9	-160.8	153.9	1.2	0	0	105.2
538	Q	29	Very low	27.1	Very low	124 Å²	124	132.2 Å²	132.2	58%	0.579	75%	0.752	S	S	*	*				68.4	119.5	107.3	-115.6	170.6	4	0	0	113.5
539	Y	27.6	Very low	27.1	Very low	206 Å²	206	134.6 Å²	134.6	81%	0.808	75%	0.753	S	S	*	*				-157.6	161.7	50.2	-97.1	-93	0	0	0	113
540	A	24.9	Very low	27.6	Very low	86 Å²	86	135.7 Å²	135.7	71%	0.711	75%	0.749	S	S	*	*			trans	-103.5	-171.6	-165.9	0	0	0	0	0	114.8
541	I	26.6	Very low	27.6	Very low	169 Å²	169	136.3 Å²	136.3	87%	0.867	75%	0.748	S	S	*	*			trans	98.5	126.8	158	-52.5	169.3	0	0	0	113.1
542	S	28.6	Very low	27.6	Very low	101 Å²	101	134.8 Å²	134.8	71%	0.706	75%	0.749	S	S	*	*			cis	-160.8	140.7	-4.6	171.9	0	0	0	0	106.7
543	G	23.7	Very low	27.5	Very low	74 Å²	74	136.5 Å²	136.5	76%	0.763	76%	0.759	S	S	*	*			trans	-122.5	133.8	166.7	0	0	0	0	0	108.7
544	E	27	Very low	27.3	Very low	156 Å²	156	137.9 Å²	137.9	73%	0.729	77%	0.769	S	S	*	*			trans	-116.4	114.8	167.4	-73.6	-170.4	162.5	0	0	108.9	F546	E544-F546 HydrophobicContact CB-CE2 4.15Å
545	M	26.3	Very low	27.2	Very low	190 Å²	190	134 Å²	134	94%	0.936	77%	0.771	S	S	*	*			trans	-98.5	131.2	164.1	-74.2	172.6	-179.8	0	0	107.3
546	F	28	Very low	27.2	Very low	185 Å²	185	136 Å²	136	81%	0.811	78%	0.777	S	S	*	*			trans	-112	125.1	165.9	-75.3	-79.4	0	0	0	109.9	E544	E544-F546 HydrophobicContact CB-CE2 4.15Å
547	C	28	Very low	27.1	Very low	132 Å²	132	139 Å²	139	89%	0.892	79%	0.788	S	S	*	*			trans	-88.1	140.7	174.3	172.4	0	0	0	0	109.6
548	G	28.6	Very low	27	Very low	57 Å²	57	136.8 Å²	136.8	59%	0.588	79%	0.794	S	S	*	*			trans	-88.4	151.7	-173.2	0	0	0	0	0	115.6
549	H	26.8	Very low	26.7	Very low	193 Å²	193	138.2 Å²	138.2	89%	0.894	81%	0.805	S	S	*	*			trans	80.5	144.8	167.5	-58.4	147.2	0	0	0	117.8
550	S	33.6	Very low	26.6	Very low	93 Å²	93	138.7 Å²	138.7	65%	0.65	81%	0.805	S	S	*	*			cis	-165.9	159.1	-11.9	43.5	0	0	0	0	107.1
551	T	27.9	Very low	26.5	Very low	132 Å²	132	139.8 Å²	139.8	81%	0.81	80%	0.803	S	S	*	*			trans	49.4	87	159.8	54.5	0	0	0	0	117.8
552	C	25.6	Very low	26.4	Very low	127 Å²	127	140.4 Å²	140.4	86%	0.858	80%	0.8	S	S	*	*			trans	-139.5	94.4	152.6	-90.3	0	0	0	0	107.9
553	C	25.5	Very low	26.2	Very low	132 Å²	132	141.3 Å²	141.3	89%	0.892	80%	0.801	S	S	*	*			trans	172.7	95.6	142.7	-92.7	0	0	0	0	109.7
554	S	24.9	Very low	26.1	Very low	121 Å²	121	141.1 Å²	141.1	85%	0.846	80%	0.799	S	S	*	*			trans	-143.7	114.1	158.4	-71.9	0	0	0	0	109.3
555	S	26.8	Very low	26.5	Very low	118 Å²	118	139.4 Å²	139.4	83%	0.825	80%	0.802	S	S	*	*			trans	162	95.9	149.1	37.3	0	0	0	0	107.9
556	E	27.2	Very low	26.5	Very low	181 Å²	181	139.1 Å²	139.1	85%	0.846	80%	0.798	S	S	*	*				64.6	113	88.3	-79.5	-157.3	157.8	0	0	116.5
557	K	25.7	Very low	26.3	Very low	199 Å²	199	135.2 Å²	135.2	87%	0.865	79%	0.794	S	S	*	*				165.2	124.6	113.5	-93.4	179.5	179.9	175.5	0	112.4
558	A	24.8	Very low	26	Very low	96 Å²	96	137.3 Å²	137.3	79%	0.793	79%	0.791	S	S	*	*				170.6	100.4	122.4	0	0	0	0	0	113.7
559	L	23.9	Very low	25.8	Very low	154 Å²	154	142.7 Å²	142.7	81%	0.806	81%	0.805	S	S	*	*			trans	38.7	118.2	131.8	-60.3	169.4	0	0	0	123.1
560	R	25.2	Very low	25.7	Very low	216 Å²	216	136.1 Å²	136.1	82%	0.815	79%	0.79	S	S	*	*				79.5	115.4	121.6	-74.3	-168.1	-179.3	-177.8	1.3	122.9
561	T	22.6	Very low	25.2	Very low	110 Å²	110	138 Å²	138	68%	0.675	80%	0.797	S	S	*	*			trans	62.6	125	130.6	52.9	0	0	0	0	121.5
562	F	23.3	Very low	24.9	Very low	181 Å²	181	137.2 Å²	137.2	79%	0.794	79%	0.793	S	S	*	*				-178	131	97.7	-109	-92.2	0	0	0	112.6
563	T	24.7	Very low	24.8	Very low	121 Å²	121	141.2 Å²	141.2	74%	0.742	79%	0.79	S	S	*	*			trans	23.9	137.5	147.4	58.8	0	0	0	0	123.8
564	G	22.4	Very low	24.6	Very low	70 Å²	70	140.5 Å²	140.5	72%	0.722	78%	0.781	S	S	*	*			trans	-68.6	-159.3	166.3	0	0	0	0	0	115.2
565	P	35.8	Very low	24.6	Very low	120 Å²	120	139 Å²	139	78%	0.779	77%	0.771	S	S	*	*			cis	-147.6	167.8	37.7	40.2	-18.6	0	0	0	119
566	Q	24.8	Very low	24.4	Very low	184 Å²	184	139.6 Å²	139.6	86%	0.86	77%	0.769	S	S	*	*			trans	53.2	155.1	134.9	-68.7	-157.3	-11.8	0	0	127.7
567	S	23.9	Very low	24.3	Very low	103 Å²	103	134.8 Å²	134.8	72%	0.72	76%	0.761	S	S	*	*			trans	88.4	109.8	157.2	-99.4	0	0	0	0	118
568	E	22.8	Very low	24.2	Very low	176 Å²	176	133.5 Å²	133.5	82%	0.822	76%	0.758	S	S	*	*				89.4	122.3	70.2	-82.4	-158.5	173.3	0	0	114.4
569	L	24.4	Very low	24.2	Very low	169 Å²	169	135.8 Å²	135.8	89%	0.885	76%	0.756	S	S	*	*			trans	62	126.1	139.2	-145.9	73.7	0	0	0	121.2
570	G	23.4	Very low	24.2	Very low	56 Å²	56	138.7 Å²	138.7	58%	0.577	76%	0.756	S	S	*	*				109.2	102.1	124	0	0	0	0	0	118.9
571	T	23.1	Very low	24.2	Very low	131 Å²	131	134 Å²	134	80%	0.804	75%	0.752	S	S	*	*				63	142.5	128.5	0.7	0	0	0	0	122.4
572	T	22.7	Very low	24.3	Very low	117 Å²	117	137.5 Å²	137.5	72%	0.718	76%	0.757	S	S	*	*			trans	87.1	113	146.3	45.9	0	0	0	0	121.1
573	R	23	Very low	24.3	Very low	211 Å²	211	135.1 Å²	135.1	80%	0.796	76%	0.762	S	S	*	*				88.1	119.3	118	-83.1	175.5	67.1	167.1	-0.9	119.6
574	T	21.6	Very low	24.3	Very low	117 Å²	117	134.5 Å²	134.5	72%	0.718	76%	0.763	S	S	*	*				49.3	131	125.6	62.7	0	0	0	0	117.1
575	S	23.8	Very low	25.1	Very low	89 Å²	89	136.5 Å²	136.5	62%	0.622	76%	0.763	S	S	*	*			cis	172.2	158.1	27.8	159.6	0	0	0	0	107.3
576	T	23.9	Very low	24.7	Very low	130 Å²	130	136.5 Å²	136.5	80%	0.798	77%	0.766	S	S	*	*			trans	62.9	143.8	149.5	45.9	0	0	0	0	118.8
577	A	24.4	Very low	24.7	Very low	80 Å²	80	131.6 Å²	131.6	66%	0.661	77%	0.765	S	S	*	*			cis	-169.8	159.4	-4.7	0	0	0	0	0	105.2
578	E	23.7	Very low	24.8	Very low	172 Å²	172	129.8 Å²	129.8	80%	0.804	76%	0.762	S	S	*	*				139.7	136.8	122.7	-78.9	-164.8	173.3	0	0	106.4
579	L	25.7	Very low	24.9	Very low	144 Å²	144	130 Å²	130	75%	0.754	76%	0.763	S	S	*	*			cis	-151.6	147.2	26.5	-85.3	110.7	0	0	0	112.6
580	R	22.9	Very low	25	Very low	216 Å²	216	130.3 Å²	130.3	82%	0.815	76%	0.76	S	S	*	*			trans	7.6	145.5	141.7	-82.4	174.6	171.1	142.4	-1.2	118.6
581	T	26.1	Very low	25	Very low	118 Å²	118	133.6 Å²	133.6	72%	0.724	77%	0.773	S	S	*	*				-170.5	134.8	56.9	-29.8	0	0	0	0	113.4
582	K	23.7	Very low	25.1	Very low	182 Å²	182	135.7 Å²	135.7	79%	0.791	78%	0.778	S	S	*	*			trans	18.9	134.7	149.4	-61.2	177.5	175.9	-178.8	0	120
583	C	23.9	Very low	25.2	Very low	131 Å²	131	138.2 Å²	138.2	89%	0.885	78%	0.782	S	S	*	*				-154.3	153.2	74.7	-83.8	0	0	0	0	114.8
584	S	24.1	Very low	25.4	Very low	109 Å²	109	133.7 Å²	133.7	76%	0.762	78%	0.78	S	S	*	*			trans	-105.6	-161.9	-172.6	-43.4	0	0	0	0	110.9
585	P	39.8	Very low	25.6	Very low	112 Å²	112	137.3 Å²	137.3	73%	0.727	79%	0.788	S	S	*	*				-134.8	-168	-67.4	33.9	-13.5	0	0	0	112.8
586	S	26.2	Very low	25.7	Very low	119 Å²	119	140 Å²	140	83%	0.832	80%	0.796	S	S	*	*			trans	99.7	126	149.9	-32.6	0	0	0	0	115.6
587	G	25.8	Very low	26.3	Very low	82 Å²	82	145.4 Å²	145.4	85%	0.845	80%	0.801	S	S	*	*			cis	-179.8	168	3	0	0	0	0	0	106.7
588	G	24.9	Very low	26.7	Very low	64 Å²	64	146.6 Å²	146.6	66%	0.66	80%	0.801	S	S	*	*			cis	180	154.2	-0.7	0	0	0	0	0	107.9
589	Q	26.2	Very low	26.9	Very low	181 Å²	181	145.5 Å²	145.5	85%	0.846	80%	0.801	S	S	*	*			trans	66.4	134.9	164.6	-79	146.1	-62.2	0	0	118
590	Q	25.6	Very low	27.1	Very low	176 Å²	176	144.7 Å²	144.7	82%	0.822	81%	0.805	S	S	*	*			cis	-161.1	151.1	20.2	-140.5	158	15.6	0	0	110
591	C	23.6	Very low	27.7	Very low	124 Å²	124	139.6 Å²	139.6	84%	0.838	80%	0.803	S	S	*	*			trans	-72.8	137.5	179.7	-59.2	0	0	0	0	113.2
592	L	26.3	Very low	28.7	Very low	176 Å²	176	142 Å²	142	92%	0.921	80%	0.803	S	S	*	*			trans	-144	145.8	148.6	-78.4	174.5	0	0	0	109
593	E	23.5	Very low	30.2	Very low	169 Å²	169	135.2 Å²	135.2	79%	0.79	78%	0.781	S	S	*	*			trans	-39.6	164.2	-170.1	-69.9	-69.7	129.1	0	0	120	E595	E593-E595 PolarHBondContact O-N 3.47Å
594	P	26.9	Very low	32.3	Very low	117 Å²	117	135.6 Å²	135.6	76%	0.76	77%	0.768	S	S	*	*			trans	-81.5	105.3	-173.8	32.3	-29.7	0	0	0	111.8	N596	P594-N596 PolarHBondContact O-N 3.21Å
595	E	26.2	Very low	35.4	Very low	192 Å²	192	130.6 Å²	130.6	90%	0.897	73%	0.733	S	S	*	*			trans	-83.4	111.1	167.8	-73.3	-163.1	155.4	0	0	111.6	E593	E593-E595 PolarHBondContact O-N 3.47Å
596	N	25.8	Very low	37.9	Very low	145 Å²	145	126.5 Å²	126.5	78%	0.775	71%	0.707	S	S	*	*			trans	13.1	111.3	151.9	-121.5	-2.3	0	0	0	118.5	P594	P594-N596 PolarHBondContact O-N 3.21Å
597	R	37.4	Very low	41.2	Very low	244 Å²	244	120.9 Å²	120.9	92%	0.921	67%	0.667	S	S	*	*			trans	-74	113.3	155.8	-78.4	176.6	165.9	172.1	-3.6	109.8
598	T	31.9	Very low	44.5	Very low	106 Å²	106	121 Å²	121	65%	0.65	64%	0.644	S	S	*	*			trans	-164.4	131	158.4	34.6	0	0	0	0	105.7
599	D	27.8	Very low	47.9	Very low	149 Å²	149	119.2 Å²	119.2	80%	0.797	62%	0.618	S	S	*	*			cis	-151.3	129.9	22.5	-102.3	-44	0	0	0	108.9
600	C	30.1	Very low	51.3	Low	126 Å²	126	110.6 Å²	110.6	85%	0.851	58%	0.578	S	S	*	*			trans	-101.7	93.2	160	-154.3	0	0	0	0	104.8	K602	C600-K602 VanDerWaalsContact C-N 3.31Å; C600-K602 PolarHBondContact O-N 3Å
601	S	36.7	Very low	54.7	Low	110 Å²	110	102.3 Å²	102.3	77%	0.769	54%	0.54	S	S	*	.			trans	-60.8	92.2	179.2	59.8	0	0	0	0	109.2	A603	S601-A603 PolarHBondContact O-N 3.34Å
602	K	46.8	Very low	58.2	Low	168 Å²	168	96.5 Å²	96.5	73%	0.73	50%	0.5	S	S	*	.			trans	-56.3	122.2	172.2	-65.9	176.7	-178.5	175.8	0	107	C600 K604	C600-K602 VanDerWaalsContact C-N 3.31Å; C600-K602 PolarHBondContact O-N 3Å; K602-K604 PolarHBondContact O-N 2.77Å
603	A	54.7	Low	61.4	Low	40 Å²	40	88.1 Å²	88.1	33%	0.331	46%	0.456	S	S	.	.			trans	-57.1	112.2	176.2	0	0	0	0	0	108.3	P418 S601	P418-A603 CarbonylContact C-O 3.03Å; P418-A603 WeakPolarHBondContact CA-O 3.45Å; P418-A603 WeakPolarHBondContact CB-O 3.18Å; P418-A603 VanDerWaalsContact O-O 3.08Å; S601-A603 PolarHBondContact O-N 3.34Å
604	K	67.7	Low	64.6	Low	139 Å²	139	80 Å²	80	60%	0.604	42%	0.419	S	S	*	.			trans	-105.2	147.6	176.4	-70.1	178.4	-176.6	-179.2	0	108.5	K602 P633	K602-K604 PolarHBondContact O-N 2.77Å; K604-P633 HydrophobicContact CB-CG 4.35Å
605	R	89	Confident	67.8	Low	4 Å²	4	74.5 Å²	74.5	2%	0.015	38%	0.382	C	S	.	.			trans	-59.4	138.5	166	-67.1	171.2	164.4	-175	-10.3	108	S412 L415 G416 L626 Q628 R629 G631 V634	S412-R605 PolarHBondContact O-NH2 3.32Å; S412-R605 PolarHBondContact OG-NH2 3.37Å; L415-R605 HydrophobicContact CB-CG 4.02Å; G416-R605 PolarHBondContact O-NE 3.34Å; G416-R605 PolarHBondContact O-NH2 2.92Å; R605-L626 PolarHBondContact NH1-O 3Å; R605-Q628 PolarHBondContact NH1-O 3.15Å; R605-R629 VanDerWaalsContact NH2-CB 3.25Å; R605-G631 WeakPolarHBondContact CD-O 3.4Å; R605-G631 PolarHBondContact NH1-O 3.41Å; R605-V634 WeakPolarHBondContact O-CG2 3.5Å
606	S	91.9	Very high	71	Confident	26 Å²	26	68.9 Å²	68.9	18%	0.182	35%	0.354	C	S	.	.			trans	-99.8	-1.1	-170	54.5	0	0	0	0	114.9	R390 L392 E393 K608	R390-S606 PolarHBondContact O-OG 3.39Å; L392-S606 CarbonylContact O-C 3.41Å; L392-S606 VanDerWaalsContact O-C 3.26Å; L392-S606 PolarHBondContact O-OG 2.87Å; E393-S606 WeakPolarHBondContact CA-O 3.32Å; S606-K608 PolarHBondContact O-N 3.39Å
607	L	95.8	Very high	74.3	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	33%	0.333	C	S	.	.			trans	-66.7	117.9	-175.9	-166.8	72.7	0	0	0	110.8	L392 L395 L411 L415 L610 L632 V634 L635	L392-L607 HydrophobicContact CD2-CD1 4.11Å; L392-L607 HydrophobicContact CG-CD1 3.96Å; L392-L607 WeakPolarHBondContact O-CA 3.11Å; L392-L607 PolarHBondContact O-N 3.28Å; L395-L607 HydrophobicContact CB-CD1 4.16Å; L411-L607 HydrophobicContact CD2-CD2 4.35Å; L415-L607 HydrophobicContact CD1-CB 4.4Å; L415-L607 HydrophobicContact CD1-CD2 4.23Å; L415-L607 HydrophobicContact CD2-CB 4.27Å; L607-L610 HydrophobicContact CD2-CB 4.26Å; L607-L632 HydrophobicContact CB-CD2 4.42Å; L607-L632 HydrophobicContact CD2-CD1 4.24Å; L607-L632 HydrophobicContact CD2-CD2 4.22Å; L607-V634 CarbonylContact O-C 3.38Å; L607-L635 HydrophobicContact CD2-CD1 4.34Å; L607-L635 HydrophobicContact CG-CD1 4.22Å; L607-L635 WeakPolarHBondContact O-CA 3.48Å; L607-L635 PolarHBondContact O-N 3.32Å
608	K	95.9	Very high	77.1	Confident	83 Å²	83	53.9 Å²	53.9	36%	0.361	29%	0.289	S	S	.	.			trans	-106	-35.9	180	-66.4	172.8	-175.5	158.3	0	112.5	E393 S606 V634 E636 H637	E393-K608 WeakPolarHBondContact O-CA 3.46Å; E393-K608 PolarHBondContact O-N 2.99Å; E393-K608 IonicContact OE2-NZ 2.84Å; E393-K608 PolarHBondContact OE2-NZ 3.29Å; S606-K608 PolarHBondContact O-N 3.39Å; K608-V634 WeakPolarHBondContact CA-O 3.42Å; K608-V634 HydrophobicContact CG-CG2 4.39Å; K608-E636 PolarHBondContact O-N 3.3Å; K608-H637 PolarHBondContact O-N 3.18Å
609	F	96.6	Very high	80.3	Confident	27 Å²	27	50.6 Å²	50.6	12%	0.118	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.2	-178	-176.7	-76.2	0	0	0	110.6	E393 H394 L395 D396 H637	E393-F609 PolarHBondContact O-N 3.05Å; H394-F609 HydrophobicContact CB-CB 4.19Å; H394-F609 AromaticContact CD2-CD1 3.69Å; H394-F609 AromaticContact CE1-CD1 3.3Å; H394-F609 WeakPolarHBondContact CE1-CD1 3.35Å; H394-F609 AromaticContact CE1-CD2 3.75Å; H394-F609 AromaticContact CE1-CE1 3.5Å; H394-F609 VanDerWaalsContact CE1-CE1 3.5Å; H394-F609 WeakPolarHBondContact CE1-CE1 3.36Å; H394-F609 AromaticContact CE1-CE2 3.91Å; H394-F609 AromaticContact CE1-CG 3.45Å; H394-F609 VanDerWaalsContact CE1-CG 3.45Å; H394-F609 WeakPolarHBondContact CE1-CG 3.29Å; H394-F609 AromaticContact CE1-CZ 3.8Å; H394-F609 AromaticContact CG-CD1 3.81Å; H394-F609 AromaticContact CG-CG 3.96Å; H394-F609 AromaticContact ND1-CD1 3.6Å; H394-F609 AromaticContact ND1-CD2 3.94Å; H394-F609 AromaticContact ND1-CG 3.42Å; H394-F609 WeakPolarHBondContact ND1-CG 3.35Å; H394-F609 AromaticContact NE2-CD1 3.37Å; H394-F609 WeakPolarHBondContact NE2-CD1 3.44Å; H394-F609 AromaticContact NE2-CE1 3.42Å; H394-F609 WeakPolarHBondContact NE2-CE1 3.47Å; H394-F609 AromaticContact NE2-CG 4Å; L395-F609 PolarHBondContact N-O 3.37Å; D396-F609 HydrophobicContact CB-CE1 4.2Å; F609-H637 HydrophobicContact CB-CB 4.44Å; F609-H637 HydrophobicContact CD2-CB 3.57Å; F609-H637 AromaticContact CD2-CD2 3.86Å; F609-H637 AromaticContact CD2-CE1 3.95Å; F609-H637 AromaticContact CD2-CG 3.35Å; F609-H637 AromaticContact CD2-ND1 3.42Å; F609-H637 WeakPolarHBondContact CD2-ND1 3.49Å; F609-H637 HydrophobicContact CE2-CB 4.18Å; F609-H637 AromaticContact CE2-CD2 3.55Å; F609-H637 AromaticContact CE2-CE1 3.28Å; F609-H637 WeakPolarHBondContact CE2-CE1 3.47Å; F609-H637 AromaticContact CE2-CG 3.43Å; F609-H637 VanDerWaalsContact CE2-CG 3.43Å; F609-H637 AromaticContact CE2-ND1 3.25Å; F609-H637 WeakPolarHBondContact CE2-ND1 3.41Å; F609-H637 AromaticContact CE2-NE2 3.51Å; F609-H637 HydrophobicContact CG-CB 4.22Å; F609-H637 AromaticContact CZ-CE1 3.53Å; F609-H637 AromaticContact CZ-ND1 3.71Å
610	L	97.6	Very high	83.6	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	117.3	171.5	179.3	61.1	0	0	0	109.8	L395 L411 L607 L612 L626 L635 H637 L638 N639	L395-L610 HydrophobicContact CB-CD1 4.21Å; L395-L610 HydrophobicContact CD2-CD1 3.95Å; L395-L610 HydrophobicContact CG-CD1 4.19Å; L395-L610 WeakPolarHBondContact O-CA 3.36Å; L411-L610 HydrophobicContact CD2-CD1 4.4Å; L607-L610 HydrophobicContact CD2-CB 4.26Å; L610-L612 HydrophobicContact CD1-CD2 4.05Å; L610-L612 HydrophobicContact CD1-CG 4.17Å; L610-L612 HydrophobicContact CD2-CD1 4.35Å; L610-L612 HydrophobicContact CG-CG 4.2Å; L610-L626 HydrophobicContact CD2-CD1 3.73Å; L610-L635 HydrophobicContact CB-CD1 3.97Å; L610-H637 PolarHBondContact N-O 2.95Å; L610-L638 HydrophobicContact CB-CD1 4.28Å; L610-L638 HydrophobicContact CD2-CD1 4.09Å; L610-L638 HydrophobicContact CG-CD1 4.27Å; L610-L638 WeakPolarHBondContact O-CA 3.28Å; L610-N639 PolarHBondContact O-N 3.4Å
611	S	96.6	Very high	86.8	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.6	167.2	-172.9	0	0	0	0	110.8	L395 D396 L397 S398 S613	L395-S611 PolarHBondContact O-N 2.9Å; D396-S611 WeakPolarHBondContact OD1-CB 3.35Å; L397-S611 PolarHBondContact N-O 3.13Å; S398-S611 WeakPolarHBondContact OG-CB 3.39Å; S398-S611 PolarHBondContact OG-OG 2.96Å; S611-S613 PolarHBondContact OG-N 3.44Å
612	L	96.6	Very high	89.7	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.186	C	C	.	.			trans	-118.1	22.1	171.2	-57.3	174.1	0	0	0	110.1	L397 L408 L610 G614 C615 V618 N639 L640 C643	L397-L612 HydrophobicContact CB-CD2 4.24Å; L397-L612 HydrophobicContact CD1-CD2 3.88Å; L397-L612 HydrophobicContact CG-CD2 4.44Å; L408-L612 HydrophobicContact CD1-CD1 4.06Å; L408-L612 HydrophobicContact CD2-CD1 3.66Å; L408-L612 HydrophobicContact CD2-CD2 4.25Å; L408-L612 HydrophobicContact CG-CD1 4.42Å; L610-L612 HydrophobicContact CD1-CD2 4.05Å; L610-L612 HydrophobicContact CD1-CG 4.17Å; L610-L612 HydrophobicContact CD2-CD1 4.35Å; L610-L612 HydrophobicContact CG-CG 4.2Å; L612-G614 PolarHBondContact O-N 2.94Å; L612-C615 HydrophobicContact CB-CB 4.26Å; L612-C615 VanDerWaalsContact O-CB 3.26Å; L612-C615 WeakPolarHBondContact O-CB 3.37Å; L612-C615 PolarHBondContact O-N 3.42Å; L612-V618 HydrophobicContact CD1-CG1 4.47Å; L612-N639 PolarHBondContact N-O 2.99Å; L612-L640 HydrophobicContact CB-CD2 4.06Å; L612-L640 HydrophobicContact CD1-CD2 3.77Å; L612-L640 HydrophobicContact CG-CD2 4.3Å; L612-C643 PolarHBondContact O-SG 3.25Å
613	S	93.8	Very high	92.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	126.6	-174.5	178.4	0	0	0	0	110.8	S398 G399 S611 C615 N639 S641 N685	S398-S613 CarbonylContact C-O 3.48Å; S398-S613 VanDerWaalsContact CA-O 3.23Å; S398-S613 WeakPolarHBondContact CA-O 3.45Å; G399-S613 PolarHBondContact N-O 3.04Å; S611-S613 PolarHBondContact OG-N 3.44Å; S613-C615 VanDerWaalsContact C-N 3.25Å; S613-C615 PolarHBondContact O-N 3.25Å; S613-N639 PolarHBondContact N-O 3.43Å; S613-S641 CarbonylContact C-O 3.41Å; S613-S641 WeakPolarHBondContact CA-O 3.37Å; S613-S641 PolarHBondContact OG-O 3.32Å; S613-N685 PolarHBondContact OG-ND2 3.06Å; S613-N685 PolarHBondContact OG-OD1 2.89Å
614	G	90.7	Very high	94.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-1.6	-178.4	0	0	0	0	0	115.3	L612 Y616 S641	L612-G614 PolarHBondContact O-N 2.94Å; G614-Y616 PolarHBondContact O-N 3.35Å; G614-S641 PolarHBondContact N-O 3.22Å
615	C	94.8	Very high	95.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.			trans	-73.8	71	168.3	-62.7	0	0	0	0	109.9	L397 C400 L612 S613 Q617 V618 C643	L397-C615 PolarHBondContact O-SG 2.67Å; C400-C615 PolarHBondContact O-SG 3.46Å; L612-C615 HydrophobicContact CB-CB 4.26Å; L612-C615 VanDerWaalsContact O-CB 3.26Å; L612-C615 WeakPolarHBondContact O-CB 3.37Å; L612-C615 PolarHBondContact O-N 3.42Å; S613-C615 VanDerWaalsContact C-N 3.25Å; S613-C615 PolarHBondContact O-N 3.25Å; C615-Q617 PolarHBondContact O-N 3.4Å; C615-Q617 VanDerWaalsContact O-N 3.12Å; C615-V618 HydrophobicContact CB-CG2 3.89Å; C615-V618 WeakPolarHBondContact O-CB 3.42Å; C615-V618 PolarHBondContact O-N 2.64Å; C615-V618 VanDerWaalsContact O-N 3.16Å; C615-C643 PolarHBondContact O-SG 2.93Å
616	Y	92.8	Very high	95.7	Very high	75 Å²	75	26.2 Å²	26.2	29%	0.294	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.8	-170	64.6	-99	0	0	0	114.1	E401 G614 V618 F645 A692	E401-Y616 HydrophobicContact CB-CD1 4.29Å; E401-Y616 HydrophobicContact CB-CE1 3.61Å; E401-Y616 HydrophobicContact CG-CD1 4.15Å; E401-Y616 HydrophobicContact CG-CE1 3.73Å; G614-Y616 PolarHBondContact O-N 3.35Å; Y616-V618 VanDerWaalsContact C-N 3.33Å; Y616-F645 WeakPolarHBondContact O-CD2 3.21Å; Y616-F645 WeakPolarHBondContact O-CE2 3.32Å; Y616-A692 HydrophobicContact CD1-CB 3.93Å; Y616-A692 HydrophobicContact CG-CB 4.39Å
617	Q	95.1	Very high	95.8	Very high	74 Å²	74	25.9 Å²	25.9	35%	0.346	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.5	177.8	-60	-171.7	61.5	0	0	113.9	E401 T404 C615	E401-Q617 PolarHBondContact O-NE2 3.44Å; T404-Q617 HydrophobicContact CG2-CB 4.1Å; C615-Q617 PolarHBondContact O-N 3.4Å; C615-Q617 VanDerWaalsContact O-N 3.12Å
618	V	96.9	Very high	95.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.145	C	C	.	.			trans	-73.8	137.2	174.8	172	0	0	0	0	110.3	L408 L612 C615 Y616 I646	L408-V618 HydrophobicContact CD1-CB 4.34Å; L408-V618 HydrophobicContact CD1-CG1 3.41Å; L408-V618 VanDerWaalsContact CD1-CG1 3.41Å; L408-V618 HydrophobicContact CD1-CG2 3.98Å; L612-V618 HydrophobicContact CD1-CG1 4.47Å; C615-V618 HydrophobicContact CB-CG2 3.89Å; C615-V618 WeakPolarHBondContact O-CB 3.42Å; C615-V618 PolarHBondContact O-N 2.64Å; C615-V618 VanDerWaalsContact O-N 3.16Å; Y616-V618 VanDerWaalsContact C-N 3.33Å; V618-I646 HydrophobicContact CG1-CD1 4.07Å; V618-I646 HydrophobicContact CG1-CG1 4.42Å
619	T	97.7	Very high	94.6	Very high	36 Å²	36	32.4 Å²	32.4	22%	0.221	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-126.2	178.5	-178.9	81.6	0	0	0	0	111.8	D405 L621 G622 L623 F645	D405-T619 PolarHBondContact OD1-N 3.1Å; D405-T619 PolarHBondContact OD2-OG1 3.02Å; T619-L621 PolarHBondContact O-N 3.16Å; T619-L621 VanDerWaalsContact O-N 3.08Å; T619-L621 PolarHBondContact OG1-N 2.7Å; T619-G622 PolarHBondContact O-N 2.96Å; T619-L623 PolarHBondContact O-N 3.23Å; T619-F645 HydrophobicContact CG2-CB 3.99Å
620	D	97.3	Very high	93.9	Very high	30 Å²	30	33.6 Å²	33.6	16%	0.16	17%	0.169	C	C	.	.	H	α-helix	trans	-53.3	-27.7	172.8	-64.2	-16.3	0	0	0	113.7	G622 L623 R624 T647 G650	D620-G622 VanDerWaalsContact C-N 3.32Å; D620-G622 PolarHBondContact O-N 3.03Å; D620-L623 PolarHBondContact O-N 2.94Å; D620-R624 VanDerWaalsContact O-CB 3.25Å; D620-R624 WeakPolarHBondContact O-CB 3.37Å; D620-R624 PolarHBondContact O-N 3.44Å; D620-T647 PolarHBondContact OD1-N 3.45Å; D620-T647 PolarHBondContact OD1-OG1 3.2Å; D620-T647 WeakPolarHBondContact OD2-CB 3.47Å; D620-T647 WeakPolarHBondContact OD2-CG2 3.5Å; D620-T647 PolarHBondContact OD2-OG1 2.87Å; D620-G650 WeakPolarHBondContact OD1-CA 3.43Å
621	L	97.5	Very high	93.5	Very high	97 Å²	97	33.6 Å²	33.6	51%	0.508	17%	0.169	S	C	.	.	H	α-helix	trans	-65.8	-36.6	178	-64.2	178	0	0	0	111.9	T619 A625	T619-L621 PolarHBondContact O-N 3.16Å; T619-L621 VanDerWaalsContact O-N 3.08Å; T619-L621 PolarHBondContact OG1-N 2.7Å; L621-A625 WeakPolarHBondContact O-CB 3.47Å; L621-A625 PolarHBondContact O-N 2.92Å; L621-A625 VanDerWaalsContact O-N 3.1Å
622	G	97.3	Very high	93.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.4	-47.3	174.7	0	0	0	0	0	111.8	D405 T619 D620 R624 A625 L626	D405-G622 WeakPolarHBondContact OD1-CA 3.22Å; D405-G622 PolarHBondContact OD1-N 2.91Å; D405-G622 VanDerWaalsContact OD1-N 3.13Å; T619-G622 PolarHBondContact O-N 2.96Å; D620-G622 VanDerWaalsContact C-N 3.32Å; D620-G622 PolarHBondContact O-N 3.03Å; G622-R624 PolarHBondContact O-N 3.23Å; G622-A625 WeakPolarHBondContact O-CB 3.37Å; G622-A625 PolarHBondContact O-N 3.46Å; G622-A625 VanDerWaalsContact O-N 3.13Å; G622-L626 PolarHBondContact O-N 3.03Å
623	L	97.4	Very high	93.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-43.4	177.5	-59.4	-164.2	0	0	0	112.3	T619 D620 A625 L626 S627 L640 I646 L651 L654	T619-L623 PolarHBondContact O-N 3.23Å; D620-L623 PolarHBondContact O-N 2.94Å; L623-A625 VanDerWaalsContact C-N 3.27Å; L623-A625 PolarHBondContact O-N 3.43Å; L623-L626 PolarHBondContact O-N 3.01Å; L623-L626 VanDerWaalsContact O-N 3.15Å; L623-S627 PolarHBondContact O-N 3.18Å; L623-S627 PolarHBondContact O-OG 3.12Å; L623-L640 HydrophobicContact CD1-CD1 4.26Å; L623-L640 HydrophobicContact CD2-CD1 4.28Å; L623-L640 HydrophobicContact CD2-CD2 4.24Å; L623-I646 HydrophobicContact CD1-CD1 4Å; L623-I646 HydrophobicContact CD1-CG1 4.29Å; L623-I646 HydrophobicContact CD1-CG2 3.53Å; L623-I646 HydrophobicContact CD2-CD1 4.09Å; L623-I646 HydrophobicContact CG-CD1 4.18Å; L623-L651 HydrophobicContact CD1-CB 4.46Å; L623-L651 HydrophobicContact CD1-CD1 4.31Å; L623-L654 HydrophobicContact CB-CB 4.21Å; L623-L654 HydrophobicContact CB-CD2 4.28Å; L623-L654 HydrophobicContact CD1-CD2 4.41Å; L623-L654 HydrophobicContact CD2-CD2 3.78Å; L623-L654 HydrophobicContact CG-CD2 4.37Å
624	R	96.6	Very high	93.2	Very high	91 Å²	91	36.4 Å²	36.4	34%	0.343	19%	0.187	S	C	.	.	H	α-helix	trans	-59.4	-39.4	173.8	177	171.3	-61.4	137.7	12.4	111.6	D620 G622 L626 S627 Q628 E653	D620-R624 VanDerWaalsContact O-CB 3.25Å; D620-R624 WeakPolarHBondContact O-CB 3.37Å; D620-R624 PolarHBondContact O-N 3.44Å; G622-R624 PolarHBondContact O-N 3.23Å; R624-L626 VanDerWaalsContact C-N 3.31Å; R624-L626 PolarHBondContact O-N 3.02Å; R624-S627 WeakPolarHBondContact O-CB 3.45Å; R624-S627 PolarHBondContact O-N 3.36Å; R624-Q628 WeakPolarHBondContact O-CG 3.3Å; R624-Q628 PolarHBondContact O-N 3.43Å; R624-Q628 VanDerWaalsContact O-N 3.17Å; R624-E653 WeakPolarHBondContact CG-OE1 3.47Å; R624-E653 IonicContact CZ-OE2 3.59Å; R624-E653 VanDerWaalsContact CZ-OE2 3.28Å; R624-E653 IonicContact NE-OE1 2.66Å; R624-E653 PolarHBondContact NE-OE1 3.5Å; R624-E653 VanDerWaalsContact NE-OE1 3.14Å; R624-E653 IonicContact NE-OE2 3.1Å; R624-E653 PolarHBondContact NE-OE2 2.99Å; R624-E653 IonicContact NH2-OE2 3.55Å; R624-E653 PolarHBondContact NH2-OE2 3.41Å
625	A	96	Very high	93.4	Very high	7 Å²	7	36.4 Å²	36.4	6%	0.058	19%	0.187	C	C	.	.	H	α-helix	trans	-61.6	-39.3	177.1	0	0	0	0	0	111.8	K409 S412 L621 G622 L623 Q628	K409-A625 HydrophobicContact CB-CB 4.48Å; K409-A625 HydrophobicContact CG-CB 3.74Å; S412-A625 WeakPolarHBondContact CB-O 3.28Å; S412-A625 PolarHBondContact OG-O 3.35Å; L621-A625 WeakPolarHBondContact O-CB 3.47Å; L621-A625 PolarHBondContact O-N 2.92Å; L621-A625 VanDerWaalsContact O-N 3.1Å; G622-A625 WeakPolarHBondContact O-CB 3.37Å; G622-A625 PolarHBondContact O-N 3.46Å; G622-A625 VanDerWaalsContact O-N 3.13Å; L623-A625 VanDerWaalsContact C-N 3.27Å; L623-A625 PolarHBondContact O-N 3.43Å; A625-Q628 PolarHBondContact O-N 3.42Å
626	L	95.1	Very high	93.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.4	-35.6	175	-66.9	-178.5	0	0	0	113.2	L408 L411 R605 L610 G622 L623 R624 Q628 L632 L654	L408-L626 HydrophobicContact CB-CG 4.37Å; L408-L626 HydrophobicContact CD2-CD1 3.6Å; L408-L626 HydrophobicContact CD2-CD2 4.31Å; L408-L626 HydrophobicContact CD2-CG 4.09Å; L411-L626 HydrophobicContact CB-CD2 4.3Å; L411-L626 HydrophobicContact CD2-CD2 3.93Å; L411-L626 HydrophobicContact CG-CD2 4.09Å; R605-L626 PolarHBondContact NH1-O 3Å; L610-L626 HydrophobicContact CD2-CD1 3.73Å; G622-L626 PolarHBondContact O-N 3.03Å; L623-L626 PolarHBondContact O-N 3.01Å; L623-L626 VanDerWaalsContact O-N 3.15Å; R624-L626 VanDerWaalsContact C-N 3.31Å; R624-L626 PolarHBondContact O-N 3.02Å; L626-Q628 PolarHBondContact O-N 2.88Å; L626-L632 HydrophobicContact CB-CD1 4.33Å; L626-L632 HydrophobicContact CD1-CD1 4.26Å; L626-L654 HydrophobicContact CB-CD1 3.87Å
627	S	93.5	Very high	93.6	Very high	19 Å²	19	38.6 Å²	38.6	13%	0.133	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-27.5	178.6	-51.2	0	0	0	0	112.7	L623 R624 G631 L654	L623-S627 PolarHBondContact O-N 3.18Å; L623-S627 PolarHBondContact O-OG 3.12Å; R624-S627 WeakPolarHBondContact O-CB 3.45Å; R624-S627 PolarHBondContact O-N 3.36Å; S627-G631 PolarHBondContact O-N 3.42Å; S627-L654 WeakPolarHBondContact OG-CA 3.18Å; S627-L654 PolarHBondContact OG-N 3.16Å
628	Q	87.1	Confident	93.6	Very high	103 Å²	103	35 Å²	35	48%	0.481	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	165	176	-70.4	169.8	13.6	0	0	112	R605 R624 A625 L626 G630 G631	R605-Q628 PolarHBondContact NH1-O 3.15Å; R624-Q628 WeakPolarHBondContact O-CG 3.3Å; R624-Q628 PolarHBondContact O-N 3.43Å; R624-Q628 VanDerWaalsContact O-N 3.17Å; A625-Q628 PolarHBondContact O-N 3.42Å; L626-Q628 PolarHBondContact O-N 2.88Å; Q628-G630 VanDerWaalsContact C-N 3.28Å; Q628-G630 PolarHBondContact O-N 3.34Å; Q628-G631 PolarHBondContact O-N 3.47Å
629	R	80.6	Confident	93.5	Very high	117 Å²	117	35.7 Å²	35.7	44%	0.442	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	36.2	170.8	-66.6	173.2	177	-79.2	-1.5	114	D417 P418 R605	D417-R629 VanDerWaalsContact OD1-CB 3.29Å; D417-R629 WeakPolarHBondContact OD1-CB 3.36Å; D417-R629 WeakPolarHBondContact OD1-CD 3.15Å; D417-R629 WeakPolarHBondContact OD1-CG 3.5Å; D417-R629 IonicContact OD1-CZ 2.75Å; D417-R629 IonicContact OD1-NE 3.98Å; D417-R629 IonicContact OD1-NH1 3.86Å; D417-R629 PolarHBondContact OD1-NH1 3.15Å; D417-R629 IonicContact OD2-NH1 3.7Å; D417-R629 PolarHBondContact OD2-NH1 3.41Å; P418-R629 WeakPolarHBondContact CD-O 3.42Å; R605-R629 VanDerWaalsContact NH2-CB 3.25Å
630	G	81.1	Confident	93.4	Very high	52 Å²	52	34.1 Å²	34.1	54%	0.536	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	11	174.6	0	0	0	0	0	115	Q628	Q628-G630 VanDerWaalsContact C-N 3.28Å; Q628-G630 PolarHBondContact O-N 3.34Å
631	G	89.4	Confident	93.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.01	17%	0.169	C	C	.	.			trans	67.2	-155.7	170.8	0	0	0	0	0	113.8	R605 S627 Q628 P633	R605-G631 WeakPolarHBondContact CD-O 3.4Å; R605-G631 PolarHBondContact NH1-O 3.41Å; S627-G631 PolarHBondContact O-N 3.42Å; Q628-G631 PolarHBondContact O-N 3.47Å; G631-P633 WeakPolarHBondContact O-CD 3.39Å
632	L	94	Very high	92.7	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.145	C	C	.	.			trans	-122.2	80	176.4	-57.4	172.3	0	0	0	108.5	L415 L607 L626 V634 L635 L654 A657	L415-L632 HydrophobicContact CD1-CD2 3.66Å; L607-L632 HydrophobicContact CB-CD2 4.42Å; L607-L632 HydrophobicContact CD2-CD1 4.24Å; L607-L632 HydrophobicContact CD2-CD2 4.22Å; L626-L632 HydrophobicContact CB-CD1 4.33Å; L626-L632 HydrophobicContact CD1-CD1 4.26Å; L632-V634 PolarHBondContact O-N 3.45Å; L632-V634 VanDerWaalsContact O-N 3.14Å; L632-L635 HydrophobicContact CB-CB 3.8Å; L632-L635 HydrophobicContact CB-CD2 4.38Å; L632-L635 HydrophobicContact CD1-CD1 4.41Å; L632-L635 HydrophobicContact CD1-CD2 3.96Å; L632-L635 PolarHBondContact O-N 2.93Å; L632-L654 HydrophobicContact CD1-CD1 4.46Å; L632-A657 PolarHBondContact N-O 3.41Å
633	P	91.8	Very high	92.5	Very high	27 Å²	27	28.1 Å²	28.1	18%	0.175	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.1	-165.8	26.8	-36.1	0	0	0	114.9	K604 G631 P659 S660	K604-P633 HydrophobicContact CB-CG 4.35Å; G631-P633 WeakPolarHBondContact O-CD 3.39Å; P633-P659 HydrophobicContact CB-CG 4.49Å; P633-S660 WeakPolarHBondContact O-CB 3.41Å; P633-S660 PolarHBondContact O-OG 3.17Å
634	V	94.4	Very high	92.1	Very high	34 Å²	34	32 Å²	32	21%	0.206	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	14.1	-177.9	-57.2	0	0	0	0	111.8	R605 L607 K608 L632 E636	R605-V634 WeakPolarHBondContact O-CG2 3.5Å; L607-V634 CarbonylContact O-C 3.38Å; K608-V634 WeakPolarHBondContact CA-O 3.42Å; K608-V634 HydrophobicContact CG-CG2 4.39Å; L632-V634 PolarHBondContact O-N 3.45Å; L632-V634 VanDerWaalsContact O-N 3.14Å; V634-E636 PolarHBondContact O-N 2.91Å
635	L	95.9	Very high	91.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.			trans	-68.5	123.3	175.2	-168.4	76	0	0	0	108.7	L607 L610 L632 L638 C658 S660 L661	L607-L635 HydrophobicContact CD2-CD1 4.34Å; L607-L635 HydrophobicContact CG-CD1 4.22Å; L607-L635 WeakPolarHBondContact O-CA 3.48Å; L607-L635 PolarHBondContact O-N 3.32Å; L610-L635 HydrophobicContact CB-CD1 3.97Å; L632-L635 HydrophobicContact CB-CB 3.8Å; L632-L635 HydrophobicContact CB-CD2 4.38Å; L632-L635 HydrophobicContact CD1-CD1 4.41Å; L632-L635 HydrophobicContact CD1-CD2 3.96Å; L632-L635 PolarHBondContact O-N 2.93Å; L635-L638 HydrophobicContact CD2-CB 4.06Å; L635-L638 HydrophobicContact CD2-CD1 4.33Å; L635-L638 HydrophobicContact CD2-CD2 4.34Å; L635-L638 HydrophobicContact CD2-CG 4.48Å; L635-C658 HydrophobicContact CD2-CB 4.48Å; L635-S660 CarbonylContact O-C 2.98Å; L635-L661 HydrophobicContact CD2-CD1 4.5Å; L635-L661 VanDerWaalsContact O-CA 3.23Å; L635-L661 WeakPolarHBondContact O-CA 3.48Å; L635-L661 PolarHBondContact O-N 3.37Å
636	E	94.7	Very high	91.8	Very high	101 Å²	101	33.7 Å²	33.7	47%	0.472	17%	0.174	S	C	.	.			trans	-110.2	-35.5	-177	-70.5	168.1	-164	0	0	110.8	K608 V634 N662	K608-E636 PolarHBondContact O-N 3.3Å; V634-E636 PolarHBondContact O-N 2.91Å; E636-N662 WeakPolarHBondContact O-CB 2.86Å; E636-N662 PolarHBondContact O-N 3.45Å
637	H	95.3	Very high	91.8	Very high	20 Å²	20	36.6 Å²	36.6	9%	0.093	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.8	-179.3	-179.5	-68.9	0	0	0	111.1	K608 F609 L610 H665 Y667	K608-H637 PolarHBondContact O-N 3.18Å; F609-H637 HydrophobicContact CB-CB 4.44Å; F609-H637 HydrophobicContact CD2-CB 3.57Å; F609-H637 AromaticContact CD2-CD2 3.86Å; F609-H637 AromaticContact CD2-CE1 3.95Å; F609-H637 AromaticContact CD2-CG 3.35Å; F609-H637 AromaticContact CD2-ND1 3.42Å; F609-H637 WeakPolarHBondContact CD2-ND1 3.49Å; F609-H637 HydrophobicContact CE2-CB 4.18Å; F609-H637 AromaticContact CE2-CD2 3.55Å; F609-H637 AromaticContact CE2-CE1 3.28Å; F609-H637 WeakPolarHBondContact CE2-CE1 3.47Å; F609-H637 AromaticContact CE2-CG 3.43Å; F609-H637 VanDerWaalsContact CE2-CG 3.43Å; F609-H637 AromaticContact CE2-ND1 3.25Å; F609-H637 WeakPolarHBondContact CE2-ND1 3.41Å; F609-H637 AromaticContact CE2-NE2 3.51Å; F609-H637 HydrophobicContact CG-CB 4.22Å; F609-H637 AromaticContact CZ-CE1 3.53Å; F609-H637 AromaticContact CZ-ND1 3.71Å; L610-H637 PolarHBondContact N-O 2.95Å; H637-H665 HydrophobicContact CB-CB 4.11Å; H637-H665 AromaticContact CD2-CD2 3.89Å; H637-Y667 AromaticContact NE2-CE2 3.64Å
638	L	96.1	Very high	91.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	113.9	177.5	178.4	59.1	0	0	0	110.5	L610 L635 L640 L654 L661 H665 F666 Y667	L610-L638 HydrophobicContact CB-CD1 4.28Å; L610-L638 HydrophobicContact CD2-CD1 4.09Å; L610-L638 HydrophobicContact CG-CD1 4.27Å; L610-L638 WeakPolarHBondContact O-CA 3.28Å; L635-L638 HydrophobicContact CD2-CB 4.06Å; L635-L638 HydrophobicContact CD2-CD1 4.33Å; L635-L638 HydrophobicContact CD2-CD2 4.34Å; L635-L638 HydrophobicContact CD2-CG 4.48Å; L638-L640 HydrophobicContact CD1-CD1 4.36Å; L638-L640 HydrophobicContact CD1-CD2 4.01Å; L638-L640 HydrophobicContact CD1-CG 3.97Å; L638-L640 HydrophobicContact CD2-CD1 4.13Å; L638-L640 HydrophobicContact CG-CD1 4.23Å; L638-L640 HydrophobicContact CG-CG 4.06Å; L638-L654 HydrophobicContact CD2-CD2 3.92Å; L638-L661 HydrophobicContact CB-CD1 3.65Å; L638-H665 PolarHBondContact N-O 3.12Å; L638-F666 HydrophobicContact CB-CD2 4.11Å; L638-F666 HydrophobicContact CD2-CD2 4.09Å; L638-F666 HydrophobicContact CD2-CE2 3.82Å; L638-F666 HydrophobicContact CG-CD2 4.2Å; L638-F666 HydrophobicContact CG-CE2 4.27Å; L638-F666 WeakPolarHBondContact O-CA 3.39Å; L638-Y667 PolarHBondContact O-N 3.42Å
639	N	94.6	Very high	92	Very high	14 Å²	14	39.8 Å²	39.8	8%	0.075	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.6	175.6	-170.1	-13	0	0	0	111.3	L610 L612 S613 S641 Y667	L610-N639 PolarHBondContact O-N 3.4Å; L612-N639 PolarHBondContact N-O 2.99Å; S613-N639 PolarHBondContact N-O 3.43Å; N639-S641 WeakPolarHBondContact OD1-CB 3.29Å; N639-S641 PolarHBondContact OD1-N 3.02Å; N639-S641 PolarHBondContact OD1-OG 3.35Å; N639-Y667 HydrophobicContact CB-CD2 4.01Å
640	L	94.8	Very high	92.7	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	19	177.4	-59.6	175.9	0	0	0	111.4	L612 L623 L638 G642 C643 I646 L651 Y667	L612-L640 HydrophobicContact CB-CD2 4.06Å; L612-L640 HydrophobicContact CD1-CD2 3.77Å; L612-L640 HydrophobicContact CG-CD2 4.3Å; L623-L640 HydrophobicContact CD1-CD1 4.26Å; L623-L640 HydrophobicContact CD2-CD1 4.28Å; L623-L640 HydrophobicContact CD2-CD2 4.24Å; L638-L640 HydrophobicContact CD1-CD1 4.36Å; L638-L640 HydrophobicContact CD1-CD2 4.01Å; L638-L640 HydrophobicContact CD1-CG 3.97Å; L638-L640 HydrophobicContact CD2-CD1 4.13Å; L638-L640 HydrophobicContact CG-CD1 4.23Å; L638-L640 HydrophobicContact CG-CG 4.06Å; L640-G642 PolarHBondContact O-N 3.31Å; L640-C643 WeakPolarHBondContact O-CB 3.43Å; L640-C643 PolarHBondContact O-N 2.95Å; L640-C643 VanDerWaalsContact O-N 3.14Å; L640-I646 HydrophobicContact CB-CD1 4.37Å; L640-I646 HydrophobicContact CD1-CD1 4.15Å; L640-I646 HydrophobicContact CD2-CD1 4.11Å; L640-I646 HydrophobicContact CG-CD1 4.45Å; L640-L651 HydrophobicContact CD1-CD1 3.46Å; L640-L651 VanDerWaalsContact CD1-CD1 3.46Å; L640-Y667 WeakPolarHBondContact CA-O 3.32Å; L640-Y667 PolarHBondContact N-O 3Å
641	S	91.5	Very high	93.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	130.5	176.4	-60.7	0	0	0	0	109.9	S613 G614 N639 C643 Y667 Q684 N685	S613-S641 CarbonylContact C-O 3.41Å; S613-S641 WeakPolarHBondContact CA-O 3.37Å; S613-S641 PolarHBondContact OG-O 3.32Å; G614-S641 PolarHBondContact N-O 3.22Å; N639-S641 WeakPolarHBondContact OD1-CB 3.29Å; N639-S641 PolarHBondContact OD1-N 3.02Å; N639-S641 PolarHBondContact OD1-OG 3.35Å; S641-C643 VanDerWaalsContact C-N 3.29Å; S641-C643 PolarHBondContact O-N 3.15Å; S641-Y667 WeakPolarHBondContact OG-CB 3.13Å; S641-Q684 PolarHBondContact OG-N 3.31Å; S641-Q684 VanDerWaalsContact OG-N 3.09Å; S641-N685 PolarHBondContact O-ND2 2.92Å; S641-N685 VanDerWaalsContact O-ND2 3.17Å
642	G	89.3	Confident	93.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	2.8	179.8	0	0	0	0	0	116.3	L640 L644 C669 A692	L640-G642 PolarHBondContact O-N 3.31Å; G642-L644 PolarHBondContact O-N 3.36Å; G642-L644 VanDerWaalsContact O-N 3.13Å; G642-C669 PolarHBondContact N-SG 3.4Å; G642-A692 WeakPolarHBondContact CA-O 3.25Å
643	C	93.1	Very high	93.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	20%	0.199	C	C	.	.			trans	-79.2	89	168.1	-66.3	0	0	0	0	110.4	L612 C615 L640 S641 F645 I646 C669	L612-C643 PolarHBondContact O-SG 3.25Å; C615-C643 PolarHBondContact O-SG 2.93Å; L640-C643 WeakPolarHBondContact O-CB 3.43Å; L640-C643 PolarHBondContact O-N 2.95Å; L640-C643 VanDerWaalsContact O-N 3.14Å; S641-C643 VanDerWaalsContact C-N 3.29Å; S641-C643 PolarHBondContact O-N 3.15Å; C643-F645 VanDerWaalsContact C-N 3.34Å; C643-F645 PolarHBondContact O-N 3.15Å; C643-I646 HydrophobicContact CB-CD1 3.28Å; C643-I646 HydrophobicContact CB-CG1 3.85Å; C643-C669 PolarHBondContact O-SG 2.92Å
644	L	89.1	Confident	93.7	Very high	81 Å²	81	37.9 Å²	37.9	42%	0.424	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-20.2	-166.9	-55.5	-179.4	0	0	0	115.1	G642 C694	G642-L644 PolarHBondContact O-N 3.36Å; G642-L644 VanDerWaalsContact O-N 3.13Å; L644-C694 HydrophobicContact CD2-CB 3.83Å
645	F	92.5	Very high	93.7	Very high	126 Å²	126	36.8 Å²	36.8	55%	0.553	18%	0.184	S	C	*	.	B	Isolated β-bridge	trans	-105.2	11.7	-176.2	-58.6	-55.9	0	0	0	114	Y616 T619 C643	Y616-F645 WeakPolarHBondContact O-CD2 3.21Å; Y616-F645 WeakPolarHBondContact O-CE2 3.32Å; T619-F645 HydrophobicContact CG2-CB 3.99Å; C643-F645 VanDerWaalsContact C-N 3.34Å; C643-F645 PolarHBondContact O-N 3.15Å
646	I	94.9	Very high	93.5	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.041	22%	0.215	C	C	.	.			trans	-84.7	135.9	170.3	-63.9	177.2	0	0	0	108.5	V618 L623 L640 C643 L651 I672	V618-I646 HydrophobicContact CG1-CD1 4.07Å; V618-I646 HydrophobicContact CG1-CG1 4.42Å; L623-I646 HydrophobicContact CD1-CD1 4Å; L623-I646 HydrophobicContact CD1-CG1 4.29Å; L623-I646 HydrophobicContact CD1-CG2 3.53Å; L623-I646 HydrophobicContact CD2-CD1 4.09Å; L623-I646 HydrophobicContact CG-CD1 4.18Å; L640-I646 HydrophobicContact CB-CD1 4.37Å; L640-I646 HydrophobicContact CD1-CD1 4.15Å; L640-I646 HydrophobicContact CD2-CD1 4.11Å; L640-I646 HydrophobicContact CG-CD1 4.45Å; C643-I646 HydrophobicContact CB-CD1 3.28Å; C643-I646 HydrophobicContact CB-CG1 3.85Å; I646-L651 HydrophobicContact CG2-CB 4.16Å; I646-I672 HydrophobicContact CB-CD1 4.48Å; I646-I672 WeakPolarHBondContact O-CD1 3.41Å
647	T	94.4	Very high	93.4	Very high	61 Å²	61	37.4 Å²	37.4	37%	0.374	20%	0.2	S	C	.	.			trans	-107.2	165.9	175.9	78.8	0	0	0	0	111.4	D620 V649 G650 L651	D620-T647 PolarHBondContact OD1-N 3.45Å; D620-T647 PolarHBondContact OD1-OG1 3.2Å; D620-T647 WeakPolarHBondContact OD2-CB 3.47Å; D620-T647 WeakPolarHBondContact OD2-CG2 3.5Å; D620-T647 PolarHBondContact OD2-OG1 2.87Å; T647-V649 PolarHBondContact O-N 3.25Å; T647-V649 VanDerWaalsContact O-N 3.17Å; T647-V649 PolarHBondContact OG1-N 2.9Å; T647-G650 PolarHBondContact O-N 2.83Å; T647-L651 WeakPolarHBondContact O-CB 3.16Å; T647-L651 PolarHBondContact O-N 3.31Å
648	E	92.3	Very high	93.4	Very high	103 Å²	103	36.6 Å²	36.6	48%	0.481	20%	0.197	S	C	.	.	H	α-helix	trans	-53	-34.2	173.2	65.3	-174.3	-166.9	0	0	112.5	Q652 I672	E648-Q652 WeakPolarHBondContact O-CB 3.37Å; E648-Q652 PolarHBondContact O-N 2.92Å; E648-I672 HydrophobicContact CB-CG2 4.13Å
649	V	93.4	Very high	93.2	Very high	87 Å²	87	41.6 Å²	41.6	53%	0.527	23%	0.23	S	C	.	.	H	α-helix	trans	-71.3	-49.5	-176.5	-179	0	0	0	0	110.9	T647 L651 E653	T647-V649 PolarHBondContact O-N 3.25Å; T647-V649 VanDerWaalsContact O-N 3.17Å; T647-V649 PolarHBondContact OG1-N 2.9Å; V649-L651 VanDerWaalsContact C-N 3.31Å; V649-L651 PolarHBondContact O-N 2.92Å; V649-E653 WeakPolarHBondContact O-CB 3.35Å; V649-E653 PolarHBondContact O-N 3.37Å; V649-E653 VanDerWaalsContact O-N 3.09Å
650	G	93.9	Very high	93.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.7	-37.1	178	0	0	0	0	0	112.2	D620 T647 E653 L654	D620-G650 WeakPolarHBondContact OD1-CA 3.43Å; T647-G650 PolarHBondContact O-N 2.83Å; G650-E653 PolarHBondContact O-N 2.8Å; G650-L654 PolarHBondContact O-N 2.75Å
651	L	94.6	Very high	93.1	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-66	-47.6	177.1	-172.6	56.3	0	0	0	112.1	L623 L640 I646 T647 V649 E653 L654 V655 F666 Y668 P675	L623-L651 HydrophobicContact CD1-CB 4.46Å; L623-L651 HydrophobicContact CD1-CD1 4.31Å; L640-L651 HydrophobicContact CD1-CD1 3.46Å; L640-L651 VanDerWaalsContact CD1-CD1 3.46Å; I646-L651 HydrophobicContact CG2-CB 4.16Å; T647-L651 WeakPolarHBondContact O-CB 3.16Å; T647-L651 PolarHBondContact O-N 3.31Å; V649-L651 VanDerWaalsContact C-N 3.31Å; V649-L651 PolarHBondContact O-N 2.92Å; L651-E653 VanDerWaalsContact C-N 3.27Å; L651-E653 PolarHBondContact O-N 3.37Å; L651-L654 PolarHBondContact O-N 3.45Å; L651-V655 HydrophobicContact CD1-CG2 4.42Å; L651-V655 WeakPolarHBondContact O-CG2 3.48Å; L651-V655 PolarHBondContact O-N 3.13Å; L651-F666 HydrophobicContact CD1-CE2 3.95Å; L651-F666 HydrophobicContact CD1-CZ 3.78Å; L651-F666 HydrophobicContact CD2-CZ 4.14Å; L651-F666 HydrophobicContact CG-CZ 4.07Å; L651-Y668 HydrophobicContact CD2-CD1 4Å; L651-Y668 HydrophobicContact CD2-CD2 4.05Å; L651-Y668 HydrophobicContact CD2-CE1 4.43Å; L651-Y668 HydrophobicContact CD2-CG 3.79Å; L651-P675 HydrophobicContact CD2-CG 4.35Å; L651-P675 HydrophobicContact CG-CG 3.99Å
652	Q	93.5	Very high	93	Very high	94 Å²	94	47.8 Å²	47.8	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-60.4	-37.5	176.6	-177.2	64.8	70.9	0	0	112.1	E648 S656	E648-Q652 WeakPolarHBondContact O-CB 3.37Å; E648-Q652 PolarHBondContact O-N 2.92Å; Q652-S656 WeakPolarHBondContact O-CB 3.18Å; Q652-S656 PolarHBondContact O-N 3.39Å
653	E	94.3	Very high	92.9	Very high	62 Å²	62	49.8 Å²	49.8	29%	0.29	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-46.2	175.9	-167.8	174.1	173	0	0	110.9	R624 V649 G650 L651 S656	R624-E653 WeakPolarHBondContact CG-OE1 3.47Å; R624-E653 IonicContact CZ-OE2 3.59Å; R624-E653 VanDerWaalsContact CZ-OE2 3.28Å; R624-E653 IonicContact NE-OE1 2.66Å; R624-E653 PolarHBondContact NE-OE1 3.5Å; R624-E653 VanDerWaalsContact NE-OE1 3.14Å; R624-E653 IonicContact NE-OE2 3.1Å; R624-E653 PolarHBondContact NE-OE2 2.99Å; R624-E653 IonicContact NH2-OE2 3.55Å; R624-E653 PolarHBondContact NH2-OE2 3.41Å; V649-E653 WeakPolarHBondContact O-CB 3.35Å; V649-E653 PolarHBondContact O-N 3.37Å; V649-E653 VanDerWaalsContact O-N 3.09Å; G650-E653 PolarHBondContact O-N 2.8Å; L651-E653 VanDerWaalsContact C-N 3.27Å; L651-E653 PolarHBondContact O-N 3.37Å; E653-S656 PolarHBondContact O-OG 3.45Å
654	L	95.1	Very high	92.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.8	-47.8	177.1	-179.4	61.7	0	0	0	113.2	L623 L626 S627 L632 L638 G650 L651 S656 A657 C658	L623-L654 HydrophobicContact CB-CB 4.21Å; L623-L654 HydrophobicContact CB-CD2 4.28Å; L623-L654 HydrophobicContact CD1-CD2 4.41Å; L623-L654 HydrophobicContact CD2-CD2 3.78Å; L623-L654 HydrophobicContact CG-CD2 4.37Å; L626-L654 HydrophobicContact CB-CD1 3.87Å; S627-L654 WeakPolarHBondContact OG-CA 3.18Å; S627-L654 PolarHBondContact OG-N 3.16Å; L632-L654 HydrophobicContact CD1-CD1 4.46Å; L638-L654 HydrophobicContact CD2-CD2 3.92Å; G650-L654 PolarHBondContact O-N 2.75Å; L651-L654 PolarHBondContact O-N 3.45Å; L654-S656 PolarHBondContact O-N 2.9Å; L654-A657 CarbonylContact O-C 3.4Å; L654-A657 WeakPolarHBondContact O-CA 3.39Å; L654-A657 WeakPolarHBondContact O-CB 3.46Å; L654-A657 PolarHBondContact O-N 2.89Å; L654-C658 PolarHBondContact O-N 2.89Å; L654-C658 PolarHBondContact O-SG 3.42Å
655	V	94.1	Very high	92.5	Very high	12 Å²	12	54.7 Å²	54.7	7%	0.073	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-37.8	-179.4	172.4	0	0	0	0	111.1	L651 A657 C658 L661 F666 P675	L651-V655 HydrophobicContact CD1-CG2 4.42Å; L651-V655 WeakPolarHBondContact O-CG2 3.48Å; L651-V655 PolarHBondContact O-N 3.13Å; V655-A657 PolarHBondContact O-N 3.17Å; V655-A657 VanDerWaalsContact O-N 3.11Å; V655-C658 PolarHBondContact O-N 3.13Å; V655-L661 HydrophobicContact CG1-CD2 4.41Å; V655-L661 HydrophobicContact CG2-CD2 4.1Å; V655-F666 HydrophobicContact CG2-CE1 3.93Å; V655-F666 HydrophobicContact CG2-CE2 4.28Å; V655-F666 HydrophobicContact CG2-CZ 3.56Å; V655-P675 HydrophobicContact CB-CG 4.14Å; V655-P675 HydrophobicContact CG1-CB 4.38Å; V655-P675 HydrophobicContact CG1-CG 4.42Å; V655-P675 HydrophobicContact CG2-CG 3.73Å
656	S	92.6	Very high	92.4	Very high	92 Å²	92	48.7 Å²	48.7	64%	0.643	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.2	175.2	78.8	0	0	0	0	114	Q652 E653 L654	Q652-S656 WeakPolarHBondContact O-CB 3.18Å; Q652-S656 PolarHBondContact O-N 3.39Å; E653-S656 PolarHBondContact O-OG 3.45Å; L654-S656 PolarHBondContact O-N 2.9Å
657	A	92.8	Very high	92.2	Very high	21 Å²	21	50.1 Å²	50.1	17%	0.174	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	5	178.6	0	0	0	0	0	113.4	L632 L654 V655 P659	L632-A657 PolarHBondContact N-O 3.41Å; L654-A657 CarbonylContact O-C 3.4Å; L654-A657 WeakPolarHBondContact O-CA 3.39Å; L654-A657 WeakPolarHBondContact O-CB 3.46Å; L654-A657 PolarHBondContact O-N 2.89Å; V655-A657 PolarHBondContact O-N 3.17Å; V655-A657 VanDerWaalsContact O-N 3.11Å; A657-P659 WeakPolarHBondContact O-CD 3.26Å
658	C	93.9	Very high	92.1	Very high	4 Å²	4	48 Å²	48	3%	0.027	26%	0.263	C	S	.	.			trans	-124.7	70.8	-178.1	-61.8	0	0	0	0	111.5	L635 L654 V655 S660 L661	L635-C658 HydrophobicContact CD2-CB 4.48Å; L654-C658 PolarHBondContact O-N 2.89Å; L654-C658 PolarHBondContact O-SG 3.42Å; V655-C658 PolarHBondContact O-N 3.13Å; C658-S660 PolarHBondContact O-N 2.88Å; C658-L661 HydrophobicContact CB-CB 4.22Å; C658-L661 WeakPolarHBondContact O-CB 3.46Å; C658-L661 PolarHBondContact O-N 2.62Å
659	P	92.6	Very high	91.9	Very high	105 Å²	105	43.3 Å²	43.3	68%	0.682	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.2	-174.2	27.2	-38.4	0	0	0	116.1	P633 A657	P633-P659 HydrophobicContact CB-CG 4.49Å; A657-P659 WeakPolarHBondContact O-CD 3.26Å
660	S	93.4	Very high	91.5	Very high	59 Å²	59	41.6 Å²	41.6	41%	0.413	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	7.7	179.8	-53.4	0	0	0	0	112.9	P633 L635 C658 N662	P633-S660 WeakPolarHBondContact O-CB 3.41Å; P633-S660 PolarHBondContact O-OG 3.17Å; L635-S660 CarbonylContact O-C 2.98Å; C658-S660 PolarHBondContact O-N 2.88Å; S660-N662 PolarHBondContact O-N 3.02Å
661	L	93.2	Very high	90.9	Very high	23 Å²	23	47 Å²	47	12%	0.12	26%	0.258	C	S	.	.			trans	-64.2	128.7	-176.4	-175.2	65	0	0	0	109.9	L635 L638 V655 C658 F666	L635-L661 HydrophobicContact CD2-CD1 4.5Å; L635-L661 VanDerWaalsContact O-CA 3.23Å; L635-L661 WeakPolarHBondContact O-CA 3.48Å; L635-L661 PolarHBondContact O-N 3.37Å; L638-L661 HydrophobicContact CB-CD1 3.65Å; V655-L661 HydrophobicContact CG1-CD2 4.41Å; V655-L661 HydrophobicContact CG2-CD2 4.1Å; C658-L661 HydrophobicContact CB-CB 4.22Å; C658-L661 WeakPolarHBondContact O-CB 3.46Å; C658-L661 PolarHBondContact O-N 2.62Å; L661-F666 HydrophobicContact CD1-CB 4.46Å; L661-F666 HydrophobicContact CD2-CB 4.25Å; L661-F666 HydrophobicContact CD2-CD1 4.02Å; L661-F666 HydrophobicContact CD2-CD2 3.98Å; L661-F666 HydrophobicContact CD2-CE1 4.37Å; L661-F666 HydrophobicContact CD2-CE2 4.34Å; L661-F666 HydrophobicContact CD2-CG 3.82Å; L661-F666 HydrophobicContact CG-CB 4.32Å; L661-F666 HydrophobicContact CG-CG 4.42Å
662	N	90	Very high	90.4	Very high	63 Å²	63	48.2 Å²	48.2	34%	0.337	26%	0.264	S	S	.	.			trans	-90.3	120.8	174	-176.2	-6.2	0	0	0	109.1	E636 S660 E664 H665 F666	E636-N662 WeakPolarHBondContact O-CB 2.86Å; E636-N662 PolarHBondContact O-N 3.45Å; S660-N662 PolarHBondContact O-N 3.02Å; N662-E664 PolarHBondContact O-N 3.4Å; N662-E664 PolarHBondContact OD1-N 2.78Å; N662-E664 VanDerWaalsContact OD1-N 3.07Å; N662-H665 HydrophobicContact CB-CB 4.49Å; N662-H665 PolarHBondContact ND2-ND1 3.34Å; N662-H665 CarbonylContact O-C 3.41Å; N662-H665 PolarHBondContact O-N 3.03Å; N662-F666 PolarHBondContact O-N 2.93Å
663	D	86.9	Confident	89.9	Confident	42 Å²	42	50.3 Å²	50.3	23%	0.225	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-59.4	-30.9	-179.9	-72.2	-9.6	0	0	0	112.8	H665 F666 H676 T679	D663-H665 PolarHBondContact O-N 2.96Å; D663-F666 PolarHBondContact O-N 2.73Å; D663-H676 IonicContact OD1-CE1 3.46Å; D663-H676 PolarHBondContact OD1-CE1 3.39Å; D663-H676 IonicContact OD1-CG 3.45Å; D663-H676 IonicContact OD1-ND1 2.72Å; D663-H676 PolarHBondContact OD1-ND1 3.25Å; D663-H676 IonicContact OD2-CG 2.94Å; D663-H676 IonicContact OD2-ND1 3.91Å; D663-T679 WeakPolarHBondContact OD2-CB 3.13Å; D663-T679 PolarHBondContact OD2-OG1 3.22Å
664	E	86	Confident	89.3	Confident	130 Å²	130	47.9 Å²	47.9	61%	0.607	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-62.2	-33.6	176.3	-65.4	-179.6	162.4	0	0	112.1	N662 Y667 S681	N662-E664 PolarHBondContact O-N 3.4Å; N662-E664 PolarHBondContact OD1-N 2.78Å; N662-E664 VanDerWaalsContact OD1-N 3.07Å; E664-Y667 PolarHBondContact O-OH 3.39Å; E664-S681 PolarHBondContact O-OG 2.87Å
665	H	87.5	Confident	88.7	Confident	55 Å²	55	48.3 Å²	48.3	26%	0.255	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-106.6	23.3	-177	-60.3	95.3	0	0	0	111.9	H637 L638 N662 D663 Y667	H637-H665 HydrophobicContact CB-CB 4.11Å; H637-H665 AromaticContact CD2-CD2 3.89Å; L638-H665 PolarHBondContact N-O 3.12Å; N662-H665 HydrophobicContact CB-CB 4.49Å; N662-H665 PolarHBondContact ND2-ND1 3.34Å; N662-H665 CarbonylContact O-C 3.41Å; N662-H665 PolarHBondContact O-N 3.03Å; D663-H665 PolarHBondContact O-N 2.96Å; H665-Y667 HydrophobicContact CB-CE2 4.45Å
666	F	91.5	Very high	88.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	106.6	177	179.4	-146.6	0	0	0	109.6	L638 L651 V655 L661 N662 D663 Y668 P675 A680 S681	L638-F666 HydrophobicContact CB-CD2 4.11Å; L638-F666 HydrophobicContact CD2-CD2 4.09Å; L638-F666 HydrophobicContact CD2-CE2 3.82Å; L638-F666 HydrophobicContact CG-CD2 4.2Å; L638-F666 HydrophobicContact CG-CE2 4.27Å; L638-F666 WeakPolarHBondContact O-CA 3.39Å; L651-F666 HydrophobicContact CD1-CE2 3.95Å; L651-F666 HydrophobicContact CD1-CZ 3.78Å; L651-F666 HydrophobicContact CD2-CZ 4.14Å; L651-F666 HydrophobicContact CG-CZ 4.07Å; V655-F666 HydrophobicContact CG2-CE1 3.93Å; V655-F666 HydrophobicContact CG2-CE2 4.28Å; V655-F666 HydrophobicContact CG2-CZ 3.56Å; L661-F666 HydrophobicContact CD1-CB 4.46Å; L661-F666 HydrophobicContact CD2-CB 4.25Å; L661-F666 HydrophobicContact CD2-CD1 4.02Å; L661-F666 HydrophobicContact CD2-CD2 3.98Å; L661-F666 HydrophobicContact CD2-CE1 4.37Å; L661-F666 HydrophobicContact CD2-CE2 4.34Å; L661-F666 HydrophobicContact CD2-CG 3.82Å; L661-F666 HydrophobicContact CG-CB 4.32Å; L661-F666 HydrophobicContact CG-CG 4.42Å; N662-F666 PolarHBondContact O-N 2.93Å; D663-F666 PolarHBondContact O-N 2.73Å; F666-Y668 HydrophobicContact CD1-CD1 4.35Å; F666-Y668 HydrophobicContact CD1-CE1 4.26Å; F666-Y668 HydrophobicContact CD2-CD1 4.34Å; F666-Y668 AromaticContact CE1-CD1 3.86Å; F666-Y668 HydrophobicContact CE1-CD1 3.86Å; F666-Y668 AromaticContact CE1-CE1 3.74Å; F666-Y668 HydrophobicContact CE1-CE1 3.74Å; F666-Y668 AromaticContact CE2-CD1 3.85Å; F666-Y668 HydrophobicContact CE2-CD1 3.85Å; F666-Y668 AromaticContact CZ-CD1 3.59Å; F666-Y668 HydrophobicContact CZ-CD1 3.59Å; F666-Y668 AromaticContact CZ-CE1 3.91Å; F666-Y668 HydrophobicContact CZ-CE1 3.91Å; F666-P675 HydrophobicContact CE1-CG 4.17Å; F666-P675 HydrophobicContact CZ-CG 4.25Å; F666-A680 HydrophobicContact CD1-CB 3.71Å; F666-A680 HydrophobicContact CE1-CB 4.24Å; F666-A680 HydrophobicContact CG-CB 4.41Å; F666-S681 PolarHBondContact O-N 3.25Å
667	Y	91.3	Very high	87.5	Confident	38 Å²	38	50.6 Å²	50.6	15%	0.149	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.7	-174.9	-50.3	-87.4	0	0	0	110.8	H637 L638 N639 L640 S641 E664 H665 S681 Q684	H637-Y667 AromaticContact NE2-CE2 3.64Å; L638-Y667 PolarHBondContact O-N 3.42Å; N639-Y667 HydrophobicContact CB-CD2 4.01Å; L640-Y667 WeakPolarHBondContact CA-O 3.32Å; L640-Y667 PolarHBondContact N-O 3Å; S641-Y667 WeakPolarHBondContact OG-CB 3.13Å; E664-Y667 PolarHBondContact O-OH 3.39Å; H665-Y667 HydrophobicContact CB-CE2 4.45Å; Y667-S681 WeakPolarHBondContact CA-O 3.37Å; Y667-Q684 HydrophobicContact CD1-CG 3.37Å; Y667-Q684 VanDerWaalsContact CD1-NE2 3.35Å; Y667-Q684 HydrophobicContact CE1-CG 3.75Å; Y667-Q684 HydrophobicContact CG-CG 3.94Å
668	Y	90.5	Very high	86.8	Confident	17 Å²	17	57.7 Å²	57.7	7%	0.067	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	172.8	173.5	61.1	-95.2	0	0	0	111.9	L651 F666 D670 I672 P675 A680 C683	L651-Y668 HydrophobicContact CD2-CD1 4Å; L651-Y668 HydrophobicContact CD2-CD2 4.05Å; L651-Y668 HydrophobicContact CD2-CE1 4.43Å; L651-Y668 HydrophobicContact CD2-CG 3.79Å; F666-Y668 HydrophobicContact CD1-CD1 4.35Å; F666-Y668 HydrophobicContact CD1-CE1 4.26Å; F666-Y668 HydrophobicContact CD2-CD1 4.34Å; F666-Y668 AromaticContact CE1-CD1 3.86Å; F666-Y668 HydrophobicContact CE1-CD1 3.86Å; F666-Y668 AromaticContact CE1-CE1 3.74Å; F666-Y668 HydrophobicContact CE1-CE1 3.74Å; F666-Y668 AromaticContact CE2-CD1 3.85Å; F666-Y668 HydrophobicContact CE2-CD1 3.85Å; F666-Y668 AromaticContact CZ-CD1 3.59Å; F666-Y668 HydrophobicContact CZ-CD1 3.59Å; F666-Y668 AromaticContact CZ-CE1 3.91Å; F666-Y668 HydrophobicContact CZ-CE1 3.91Å; Y668-D670 PolarHBondContact O-N 3.38Å; Y668-I672 HydrophobicContact CD2-CB 4.23Å; Y668-I672 HydrophobicContact CE2-CB 4.42Å; Y668-P675 PolarHBondContact OH-O 2.79Å; Y668-A680 HydrophobicContact CD1-CB 4.4Å; Y668-A680 HydrophobicContact CE1-CB 3.55Å; Y668-C683 WeakPolarHBondContact O-CA 3.3Å; Y668-C683 PolarHBondContact O-N 3.36Å; Y668-C683 VanDerWaalsContact O-N 3.11Å
669	C	88.3	Confident	86.1	Confident	4 Å²	4	61.3 Å²	61.3	3%	0.027	34%	0.341	C	S	.	.			trans	-61	130.6	-178.3	-65.3	0	0	0	0	112.8	G642 C643 N671 I672 C694	G642-C669 PolarHBondContact N-SG 3.4Å; C643-C669 PolarHBondContact O-SG 2.92Å; C669-N671 PolarHBondContact O-N 2.94Å; C669-I672 HydrophobicContact CB-CD1 3.83Å; C669-I672 HydrophobicContact CB-CG1 4.07Å; C669-I672 PolarHBondContact O-N 2.88Å; C669-I672 VanDerWaalsContact O-N 3.08Å; C669-C694 HydrophobicContact CB-CB 3.88Å
670	D	85.4	Confident	85.4	Confident	51 Å²	51	57.1 Å²	57.1	27%	0.273	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.3	-178.7	-60.6	-30.6	0	0	0	114.3	Y668 I672 G682 C683 C694 R695	Y668-D670 PolarHBondContact O-N 3.38Å; D670-I672 PolarHBondContact O-N 3Å; D670-G682 VanDerWaalsContact OD1-CA 3.25Å; D670-G682 WeakPolarHBondContact OD1-CA 3.31Å; D670-C683 PolarHBondContact OD1-N 2.71Å; D670-C694 PolarHBondContact N-SG 3.5Å; D670-R695 IonicContact OD2-CZ 2.72Å; D670-R695 IonicContact OD2-NE 3.28Å; D670-R695 PolarHBondContact OD2-NE 3.11Å; D670-R695 IonicContact OD2-NH2 3.56Å; D670-R695 PolarHBondContact OD2-NH2 3.41Å
671	N	82.6	Confident	84.6	Confident	115 Å²	115	56 Å²	56	62%	0.615	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-1.6	-179.6	-61.8	-17.8	0	0	0	113	C669 C694	C669-N671 PolarHBondContact O-N 2.94Å; N671-C694 PolarHBondContact ND2-O 3.37Å
672	I	84.1	Confident	83.9	Confident	26 Å²	26	56.5 Å²	56.5	13%	0.133	32%	0.318	C	S	.	.	S	Bend	trans	-102.1	129.1	-179.5	-55.6	173.4	0	0	0	108.7	I646 E648 Y668 C669 D670 G674	I646-I672 HydrophobicContact CB-CD1 4.48Å; I646-I672 WeakPolarHBondContact O-CD1 3.41Å; E648-I672 HydrophobicContact CB-CG2 4.13Å; Y668-I672 HydrophobicContact CD2-CB 4.23Å; Y668-I672 HydrophobicContact CE2-CB 4.42Å; C669-I672 HydrophobicContact CB-CD1 3.83Å; C669-I672 HydrophobicContact CB-CG1 4.07Å; C669-I672 PolarHBondContact O-N 2.88Å; C669-I672 VanDerWaalsContact O-N 3.08Å; D670-I672 PolarHBondContact O-N 3Å; I672-G674 PolarHBondContact O-N 3.24Å
673	N	82.8	Confident	83.3	Confident	138 Å²	138	53.7 Å²	53.7	74%	0.738	30%	0.303	S	S	*	.			trans	-77.9	67.2	166.5	-70.4	-30.7	0	0	0	109.8
674	G	80.2	Confident	83.1	Confident	10 Å²	10	56.2 Å²	56.2	10%	0.103	31%	0.314	C	S	.	.			trans	-75.3	170.1	-173.4	0	0	0	0	0	114.4	I672	I672-G674 PolarHBondContact O-N 3.24Å
675	P	82.6	Confident	82.5	Confident	10 Å²	10	50 Å²	50	7%	0.065	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	150.4	166.4	23.8	-32.3	0	0	0	111.1	L651 V655 F666 Y668 A677	L651-P675 HydrophobicContact CD2-CG 4.35Å; L651-P675 HydrophobicContact CG-CG 3.99Å; V655-P675 HydrophobicContact CB-CG 4.14Å; V655-P675 HydrophobicContact CG1-CB 4.38Å; V655-P675 HydrophobicContact CG1-CG 4.42Å; V655-P675 HydrophobicContact CG2-CG 3.73Å; F666-P675 HydrophobicContact CE1-CG 4.17Å; F666-P675 HydrophobicContact CZ-CG 4.25Å; Y668-P675 PolarHBondContact OH-O 2.79Å; P675-A677 PolarHBondContact O-N 3.48Å
676	H	82.8	Confident	81.9	Confident	84 Å²	84	50.2 Å²	50.2	39%	0.389	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	30.6	175.2	-52	165.4	0	0	0	113.4	D663 D678 T679 A680	D663-H676 IonicContact OD1-CE1 3.46Å; D663-H676 PolarHBondContact OD1-CE1 3.39Å; D663-H676 IonicContact OD1-CG 3.45Å; D663-H676 IonicContact OD1-ND1 2.72Å; D663-H676 PolarHBondContact OD1-ND1 3.25Å; D663-H676 IonicContact OD2-CG 2.94Å; D663-H676 IonicContact OD2-ND1 3.91Å; H676-D678 PolarHBondContact O-N 3.41Å; H676-T679 PolarHBondContact O-N 3.2Å; H676-T679 PolarHBondContact O-OG1 3.32Å; H676-A680 HydrophobicContact CB-CB 4.14Å; H676-A680 VanDerWaalsContact O-CB 3.24Å; H676-A680 WeakPolarHBondContact O-CB 3.1Å; H676-A680 PolarHBondContact O-N 3.22Å
677	A	79.5	Confident	80.6	Confident	67 Å²	67	57.5 Å²	57.5	55%	0.554	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.3	-176.6	0	0	0	0	0	115.6	P675	P675-A677 PolarHBondContact O-N 3.48Å
678	D	78.1	Confident	79.4	Confident	170 Å²	170	56.9 Å²	56.9	91%	0.909	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-18.7	178.1	-60.6	-33	0	0	0	113.5	H676	H676-D678 PolarHBondContact O-N 3.41Å
679	T	78.3	Confident	78	Confident	80 Å²	80	59.5 Å²	59.5	49%	0.491	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-25.4	-172.2	50.1	0	0	0	0	113.9	D663 H676	D663-T679 WeakPolarHBondContact OD2-CB 3.13Å; D663-T679 PolarHBondContact OD2-OG1 3.22Å; H676-T679 PolarHBondContact O-N 3.2Å; H676-T679 PolarHBondContact O-OG1 3.32Å
680	A	77.5	Confident	77.1	Confident	18 Å²	18	60.7 Å²	60.7	15%	0.149	36%	0.36	C	S	.	.	S	Bend	trans	-71.5	146.7	177.3	0	0	0	0	0	111.3	F666 Y668 H676	F666-A680 HydrophobicContact CD1-CB 3.71Å; F666-A680 HydrophobicContact CE1-CB 4.24Å; F666-A680 HydrophobicContact CG-CB 4.41Å; Y668-A680 HydrophobicContact CD1-CB 4.4Å; Y668-A680 HydrophobicContact CE1-CB 3.55Å; H676-A680 HydrophobicContact CB-CB 4.14Å; H676-A680 VanDerWaalsContact O-CB 3.24Å; H676-A680 WeakPolarHBondContact O-CB 3.1Å; H676-A680 PolarHBondContact O-N 3.22Å
681	S	78.3	Confident	76.8	Confident	35 Å²	35	59.5 Å²	59.5	25%	0.245	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-78.2	138.8	177.9	-69.2	0	0	0	0	110.8	E664 F666 Y667	E664-S681 PolarHBondContact O-OG 2.87Å; F666-S681 PolarHBondContact O-N 3.25Å; Y667-S681 WeakPolarHBondContact CA-O 3.37Å
682	G	77.9	Confident	76.5	Confident	34 Å²	34	55 Å²	55	35%	0.351	33%	0.33	S	S	.	.			trans	-68.7	178.7	176.4	0	0	0	0	0	113.6	D670 Q684	D670-G682 VanDerWaalsContact OD1-CA 3.25Å; D670-G682 WeakPolarHBondContact OD1-CA 3.31Å; G682-Q684 PolarHBondContact O-N 3.29Å; G682-Q684 PolarHBondContact O-NE2 3.45Å; G682-Q684 VanDerWaalsContact O-NE2 3.08Å
683	C	78.4	Confident	76.4	Confident	4 Å²	4	55.5 Å²	55.5	3%	0.027	34%	0.335	C	S	.	.			trans	-58.5	124.1	-179.5	-175.6	0	0	0	0	111.2	Y668 D670 N685 L686	Y668-C683 WeakPolarHBondContact O-CA 3.3Å; Y668-C683 PolarHBondContact O-N 3.36Å; Y668-C683 VanDerWaalsContact O-N 3.11Å; D670-C683 PolarHBondContact OD1-N 2.71Å; C683-N685 VanDerWaalsContact C-N 3.3Å; C683-N685 PolarHBondContact O-N 2.74Å; C683-L686 WeakPolarHBondContact O-CG 3.32Å
684	Q	81.1	Confident	76.1	Confident	94 Å²	94	49.9 Å²	49.9	44%	0.439	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-7	179	-62.9	-57.3	-53.1	0	0	113.7	S641 Y667 G682 L686	S641-Q684 PolarHBondContact OG-N 3.31Å; S641-Q684 VanDerWaalsContact OG-N 3.09Å; Y667-Q684 HydrophobicContact CD1-CG 3.37Å; Y667-Q684 VanDerWaalsContact CD1-NE2 3.35Å; Y667-Q684 HydrophobicContact CE1-CG 3.75Å; Y667-Q684 HydrophobicContact CG-CG 3.94Å; G682-Q684 PolarHBondContact O-N 3.29Å; G682-Q684 PolarHBondContact O-NE2 3.45Å; G682-Q684 VanDerWaalsContact O-NE2 3.08Å; Q684-L686 VanDerWaalsContact C-N 3.29Å; Q684-L686 PolarHBondContact O-N 3.29Å
685	N	74.9	Confident	75.8	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	10.5	-175.8	-58.3	-13.2	0	0	0	112.8	S613 S641 C683 Q687 C688 R691 A692 C693	S613-N685 PolarHBondContact OG-ND2 3.06Å; S613-N685 PolarHBondContact OG-OD1 2.89Å; S641-N685 PolarHBondContact O-ND2 2.92Å; S641-N685 VanDerWaalsContact O-ND2 3.17Å; C683-N685 VanDerWaalsContact C-N 3.3Å; C683-N685 PolarHBondContact O-N 2.74Å; N685-Q687 PolarHBondContact O-N 3.04Å; N685-C688 HydrophobicContact CB-CB 4.27Å; N685-C688 VanDerWaalsContact O-CB 3.3Å; N685-C688 WeakPolarHBondContact O-CB 3.32Å; N685-C688 PolarHBondContact O-N 3.43Å; N685-C688 VanDerWaalsContact O-N 3.09Å; N685-R691 HydrophobicContact CB-CB 4.36Å; N685-A692 PolarHBondContact ND2-O 3.31Å; N685-C693 HydrophobicContact CB-CB 3.77Å; N685-C693 VanDerWaalsContact O-CB 3.3Å; N685-C693 WeakPolarHBondContact O-CB 3.42Å; N685-C693 PolarHBondContact O-SG 3.44Å
686	L	73.6	Confident	75	Confident	58 Å²	58	58.9 Å²	58.9	30%	0.304	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	129.7	176.7	-61.1	172.4	0	0	0	109.3	C683 Q684 C688 R695	C683-L686 WeakPolarHBondContact O-CG 3.32Å; Q684-L686 VanDerWaalsContact C-N 3.29Å; Q684-L686 PolarHBondContact O-N 3.29Å; L686-C688 PolarHBondContact O-N 3.26Å; L686-R695 HydrophobicContact CD2-CG 3.29Å
687	Q	65.5	Low	73.7	Confident	153 Å²	153	56.1 Å²	56.1	72%	0.715	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	9.7	-175.5	-53.3	176.2	-13.7	0	0	114.5	N685 G689 G697	N685-Q687 PolarHBondContact O-N 3.04Å; Q687-G689 PolarHBondContact O-N 3.47Å; Q687-G697 PolarHBondContact NE2-O 3.11Å
688	C	64.4	Low	72.4	Confident	25 Å²	25	64.2 Å²	64.2	17%	0.169	37%	0.37	C	S	.	.			trans	-84.1	113	174.4	-171.1	0	0	0	0	109.9	N685 L686 F690	N685-C688 HydrophobicContact CB-CB 4.27Å; N685-C688 VanDerWaalsContact O-CB 3.3Å; N685-C688 WeakPolarHBondContact O-CB 3.32Å; N685-C688 PolarHBondContact O-N 3.43Å; N685-C688 VanDerWaalsContact O-N 3.09Å; L686-C688 PolarHBondContact O-N 3.26Å; C688-F690 PolarHBondContact O-N 3.3Å
689	G	61.7	Low	72.1	Confident	73 Å²	73	58.9 Å²	58.9	75%	0.753	34%	0.343	S	S	*	.	S	Bend	trans	-75.3	-4.2	179.5	0	0	0	0	0	115.2	Q687	Q687-G689 PolarHBondContact O-N 3.47Å
690	F	70.1	Confident	71.8	Confident	29 Å²	29	57.8 Å²	57.8	13%	0.127	34%	0.335	C	S	.	.	S	Bend	trans	-119.7	-11.9	-167.1	-33.6	-68.8	0	0	0	114.5	D277 V280 K281 Q372 C688	D277-F690 WeakPolarHBondContact OD1-CE2 3.46Å; V280-F690 HydrophobicContact CB-CE2 4.33Å; V280-F690 HydrophobicContact CG1-CD1 4.28Å; V280-F690 HydrophobicContact CG1-CD2 3.85Å; V280-F690 HydrophobicContact CG1-CE1 4.44Å; V280-F690 HydrophobicContact CG1-CE2 4.04Å; V280-F690 HydrophobicContact CG1-CG 3.97Å; V280-F690 HydrophobicContact CG1-CZ 4.32Å; K281-F690 HydrophobicContact CD-CZ 4.44Å; K281-F690 HydrophobicContact CG-CE1 3.71Å; K281-F690 HydrophobicContact CG-CZ 3.77Å; Q372-F690 PolarHBondContact NE2-O 2.63Å; C688-F690 PolarHBondContact O-N 3.3Å
691	R	77.6	Confident	71.5	Confident	26 Å²	26	60 Å²	60	10%	0.098	35%	0.345	C	S	.	.	S	Bend	trans	-123.7	140.6	177.6	-75.4	179.6	-96	-163.3	-3.7	108.1	D274 N685 C693	D274-R691 IonicContact OD1-CZ 2.88Å; D274-R691 IonicContact OD1-NH1 3.56Å; D274-R691 PolarHBondContact OD1-NH1 3.26Å; D274-R691 IonicContact OD1-NH2 3.76Å; D274-R691 PolarHBondContact OD1-NH2 3.23Å; D274-R691 IonicContact OD2-CZ 3.14Å; D274-R691 IonicContact OD2-NH1 3.25Å; D274-R691 IonicContact OD2-NH2 2.82Å; D274-R691 PolarHBondContact OD2-NH2 3.25Å; N685-R691 HydrophobicContact CB-CB 4.36Å; R691-C693 PolarHBondContact O-N 3.25Å
692	A	77	Confident	71.1	Confident	21 Å²	21	61.5 Å²	61.5	17%	0.174	35%	0.351	C	S	.	.			trans	-54.7	135.7	174.6	0	0	0	0	0	110.3	Y616 G642 N685	Y616-A692 HydrophobicContact CD1-CB 3.93Å; Y616-A692 HydrophobicContact CG-CB 4.39Å; G642-A692 WeakPolarHBondContact CA-O 3.25Å; N685-A692 PolarHBondContact ND2-O 3.31Å
693	C	81.7	Confident	70.7	Confident	35 Å²	35	63.2 Å²	63.2	24%	0.236	35%	0.351	C	S	.	.			trans	-130.8	147.6	-179.8	-168	0	0	0	0	110.9	N685 R691 R695	N685-C693 HydrophobicContact CB-CB 3.77Å; N685-C693 VanDerWaalsContact O-CB 3.3Å; N685-C693 WeakPolarHBondContact O-CB 3.42Å; N685-C693 PolarHBondContact O-SG 3.44Å; R691-C693 PolarHBondContact O-N 3.25Å; C693-R695 VanDerWaalsContact C-N 3.26Å; C693-R695 PolarHBondContact O-N 3.04Å; C693-R695 PolarHBondContact SG-O 3.05Å
694	C	76.6	Confident	70.1	Confident	20 Å²	20	67.1 Å²	67.1	14%	0.135	37%	0.373	C	S	.	.	S	Bend	trans	-75.5	-13	179.6	61.7	0	0	0	0	113.7	L644 C669 D670 N671	L644-C694 HydrophobicContact CD2-CB 3.83Å; C669-C694 HydrophobicContact CB-CB 3.88Å; D670-C694 PolarHBondContact N-SG 3.5Å; N671-C694 PolarHBondContact ND2-O 3.37Å
695	R	74.8	Confident	69.4	Low	125 Å²	125	65.2 Å²	65.2	47%	0.472	37%	0.368	S	S	.	.	S	Bend	trans	-154.2	151.8	174.3	59.8	-175	177	154.9	2.9	110.5	D670 L686 C693 G697	D670-R695 IonicContact OD2-CZ 2.72Å; D670-R695 IonicContact OD2-NE 3.28Å; D670-R695 PolarHBondContact OD2-NE 3.11Å; D670-R695 IonicContact OD2-NH2 3.56Å; D670-R695 PolarHBondContact OD2-NH2 3.41Å; L686-R695 HydrophobicContact CD2-CG 3.29Å; C693-R695 VanDerWaalsContact C-N 3.26Å; C693-R695 PolarHBondContact O-N 3.04Å; C693-R695 PolarHBondContact SG-O 3.05Å; R695-G697 PolarHBondContact O-N 3.17Å
696	S	65.1	Low	68.9	Low	84 Å²	84	70.2 Å²	70.2	59%	0.587	40%	0.396	S	S	*	.			trans	-65.1	-26.7	-179.5	47.1	0	0	0	0	113.3	E698	S696-E698 PolarHBondContact O-N 2.81Å
697	G	56.4	Low	68.6	Low	27 Å²	27	71.2 Å²	71.2	28%	0.278	40%	0.404	S	S	.	.			trans	68.4	11.1	-175.7	0	0	0	0	0	113.8	Q687 R695	Q687-G697 PolarHBondContact NE2-O 3.11Å; R695-G697 PolarHBondContact O-N 3.17Å
698	E	51.8	Low	68.8	Low	236 Å²	236	63.7 Å²	63.7	100%	1.103	38%	0.376	S	S	*	.			trans	-92.2	0	169.6	-68.3	-173	163.3	0	0	111.9	S696	S696-E698 PolarHBondContact O-N 2.81Å

Retrieved 698 of 698 residues in 477.2 ms (Link to these results)

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