A0A096N8R4_PAPAN Loading...

G protein-coupled receptor kinase

Retina-specific kinase involved in the shutoff of the photoresponse and adaptation to changing light conditions via cone opsin phosphorylation, including rhodopsin (RHO).

AlphaFold DB , UniProt , Accession A0A096N8R4, Species PAPAN (Papio anubis, Olive baboon), Gene GRK7, Length 553 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	44.4	Very low	70.4	Confident	245 Å²	245	96.7 Å²	96.7	100%	1.207	54%	0.535	S	S	*	.				0	117.5	0	-90.2	167.4	79.8	0	0	106.6	D3	M1-D3 PolarHBondContact O-N 3.22Å
2	V	49.2	Very low	71.5	Confident	112 Å²	112	90.3 Å²	90.3	68%	0.679	50%	0.504	S	S	*	.			trans	-68.4	126.8	168.4	179.4	0	0	0	0	105.9	M4	V2-M4 PolarHBondContact O-N 3.47Å
3	D	68.6	Low	72.5	Confident	114 Å²	114	85.5 Å²	85.5	61%	0.61	48%	0.476	S	S	*	.			trans	-65.2	103	173.1	-177.9	-2.3	0	0	0	108	M1 G5 A6 L7	M1-D3 PolarHBondContact O-N 3.22Å; D3-G5 PolarHBondContact O-N 3.45Å; D3-G5 PolarHBondContact OD1-N 3.05Å; D3-G5 VanDerWaalsContact OD1-N 3.15Å; D3-A6 HydrophobicContact CB-CB 4.08Å; D3-A6 PolarHBondContact O-N 2.85Å; D3-A6 VanDerWaalsContact O-N 3.15Å; D3-L7 PolarHBondContact O-N 3.26Å
4	M	65.7	Low	73.4	Confident	125 Å²	125	83.5 Å²	83.5	62%	0.616	47%	0.468	S	S	*	.	H	α-helix	trans	-59	-31.7	-176.4	-68.2	-70.9	-71.7	0	0	111.3	V2 L7 D8	V2-M4 PolarHBondContact O-N 3.47Å; M4-L7 PolarHBondContact O-N 2.7Å; M4-D8 VanDerWaalsContact O-CG 3.29Å; M4-D8 PolarHBondContact O-N 3.29Å
5	G	68.1	Low	74.1	Confident	31 Å²	31	80.5 Å²	80.5	32%	0.32	46%	0.458	S	S	.	.	H	α-helix	trans	-68.5	-37.1	178.2	0	0	0	0	0	113	D3 N9	D3-G5 PolarHBondContact O-N 3.45Å; D3-G5 PolarHBondContact OD1-N 3.05Å; D3-G5 VanDerWaalsContact OD1-N 3.15Å; G5-N9 WeakPolarHBondContact O-CB 3.34Å; G5-N9 PolarHBondContact O-N 2.85Å; G5-N9 VanDerWaalsContact O-N 3.09Å
6	A	73.1	Confident	74.8	Confident	55 Å²	55	75.7 Å²	75.7	46%	0.455	43%	0.43	S	S	.	.	H	α-helix	trans	-68.6	-36.8	175.4	0	0	0	0	0	112	D3 L10	D3-A6 HydrophobicContact CB-CB 4.08Å; D3-A6 PolarHBondContact O-N 2.85Å; D3-A6 VanDerWaalsContact O-N 3.15Å; A6-L10 WeakPolarHBondContact O-CB 3.47Å; A6-L10 PolarHBondContact O-N 2.91Å
7	L	77.4	Confident	75.4	Confident	71 Å²	71	73.9 Å²	73.9	37%	0.372	42%	0.419	S	S	.	.	H	α-helix	trans	-68.1	-45.3	176.4	-176.9	61.5	0	0	0	111.7	D3 M4 N9 L10 I11	D3-L7 PolarHBondContact O-N 3.26Å; M4-L7 PolarHBondContact O-N 2.7Å; L7-N9 VanDerWaalsContact C-N 3.32Å; L7-N9 PolarHBondContact O-N 3.17Å; L7-L10 PolarHBondContact O-N 3Å; L7-I11 HydrophobicContact CD1-CD1 4.12Å; L7-I11 HydrophobicContact CD1-CG1 4.36Å; L7-I11 HydrophobicContact CG-CD1 3.9Å; L7-I11 VanDerWaalsContact O-CG1 3.3Å; L7-I11 WeakPolarHBondContact O-CG1 3.34Å; L7-I11 PolarHBondContact O-N 3.04Å
8	D	79.8	Confident	75.9	Confident	88 Å²	88	76.8 Å²	76.8	47%	0.471	43%	0.428	S	S	.	.	H	α-helix	trans	-61.6	-41.6	177.6	-71.6	-20.5	0	0	0	111.5	M4 I11 A12	M4-D8 VanDerWaalsContact O-CG 3.29Å; M4-D8 PolarHBondContact O-N 3.29Å; D8-I11 PolarHBondContact O-N 3.48Å; D8-A12 VanDerWaalsContact O-CB 3.32Å; D8-A12 WeakPolarHBondContact O-CB 3.41Å; D8-A12 PolarHBondContact O-N 3.34Å
9	N	82.4	Confident	76.3	Confident	16 Å²	16	73.5 Å²	73.5	9%	0.086	41%	0.412	C	S	.	.	H	α-helix	trans	-63.1	-44	175.1	-167	51.6	0	0	0	111.9	G5 L7 A12 N13 D482 I483	G5-N9 WeakPolarHBondContact O-CB 3.34Å; G5-N9 PolarHBondContact O-N 2.85Å; G5-N9 VanDerWaalsContact O-N 3.09Å; L7-N9 VanDerWaalsContact C-N 3.32Å; L7-N9 PolarHBondContact O-N 3.17Å; N9-A12 PolarHBondContact O-N 3.1Å; N9-N13 VanDerWaalsContact O-CB 3.25Å; N9-N13 WeakPolarHBondContact O-CB 3.42Å; N9-N13 PolarHBondContact O-N 2.92Å; N9-N13 PolarHBondContact O-ND2 3.02Å; N9-N13 PolarHBondContact O-OD1 3.34Å; N9-D482 PolarHBondContact ND2-OD1 2.92Å; N9-I483 PolarHBondContact OD1-N 3.3Å; N9-I483 VanDerWaalsContact OD1-N 3.17Å
10	L	82.4	Confident	76.5	Confident	107 Å²	107	71.9 Å²	71.9	56%	0.56	40%	0.399	S	S	*	.	H	α-helix	trans	-62.7	-44.8	177.5	-179.3	64.4	0	0	0	111.9	A6 L7 N13 T14	A6-L10 WeakPolarHBondContact O-CB 3.47Å; A6-L10 PolarHBondContact O-N 2.91Å; L7-L10 PolarHBondContact O-N 3Å; L10-N13 PolarHBondContact O-N 3.25Å; L10-T14 WeakPolarHBondContact O-CB 2.99Å; L10-T14 PolarHBondContact O-N 3.39Å; L10-T14 PolarHBondContact O-OG1 3.16Å
11	I	83.8	Confident	76.5	Confident	100 Å²	100	74.5 Å²	74.5	51%	0.513	41%	0.406	S	S	.	.	H	α-helix	trans	-62.1	-50	178.7	-68.7	167.3	0	0	0	110	L7 D8 N13 T14 A15	L7-I11 HydrophobicContact CD1-CD1 4.12Å; L7-I11 HydrophobicContact CD1-CG1 4.36Å; L7-I11 HydrophobicContact CG-CD1 3.9Å; L7-I11 VanDerWaalsContact O-CG1 3.3Å; L7-I11 WeakPolarHBondContact O-CG1 3.34Å; L7-I11 PolarHBondContact O-N 3.04Å; D8-I11 PolarHBondContact O-N 3.48Å; I11-N13 VanDerWaalsContact C-N 3.34Å; I11-N13 PolarHBondContact O-N 2.65Å; I11-T14 PolarHBondContact O-N 2.98Å; I11-A15 WeakPolarHBondContact O-CB 3.46Å; I11-A15 PolarHBondContact O-N 2.9Å
12	A	82.9	Confident	77.3	Confident	19 Å²	19	68.4 Å²	68.4	16%	0.157	39%	0.385	C	S	.	.	H	α-helix	trans	-62.1	-41.3	179.8	0	0	0	0	0	112.1	D8 N9 Y16 R195 I483	D8-A12 VanDerWaalsContact O-CB 3.32Å; D8-A12 WeakPolarHBondContact O-CB 3.41Å; D8-A12 PolarHBondContact O-N 3.34Å; N9-A12 PolarHBondContact O-N 3.1Å; A12-Y16 WeakPolarHBondContact O-CB 3.24Å; A12-Y16 PolarHBondContact O-N 3.18Å; A12-R195 HydrophobicContact CB-CB 4.46Å; A12-R195 HydrophobicContact CB-CG 4.48Å; A12-I483 HydrophobicContact CB-CD1 3.35Å
13	N	85.1	Confident	77.8	Confident	28 Å²	28	65.5 Å²	65.5	15%	0.15	37%	0.37	C	S	.	.	H	α-helix	trans	-66.1	-43.5	177.8	-68.9	-4.4	0	0	0	111.6	N9 L10 I11 Y16 L17 R195	N9-N13 VanDerWaalsContact O-CB 3.25Å; N9-N13 WeakPolarHBondContact O-CB 3.42Å; N9-N13 PolarHBondContact O-N 2.92Å; N9-N13 PolarHBondContact O-ND2 3.02Å; N9-N13 PolarHBondContact O-OD1 3.34Å; L10-N13 PolarHBondContact O-N 3.25Å; I11-N13 VanDerWaalsContact C-N 3.34Å; I11-N13 PolarHBondContact O-N 2.65Å; N13-Y16 PolarHBondContact O-N 2.72Å; N13-L17 WeakPolarHBondContact O-CB 3.43Å; N13-L17 VanDerWaalsContact O-CG 3.23Å; N13-L17 WeakPolarHBondContact O-CG 3.44Å; N13-L17 PolarHBondContact O-N 3.28Å; N13-R195 VanDerWaalsContact CG-NH1 3.33Å; N13-R195 VanDerWaalsContact OD1-CD 3.22Å; N13-R195 WeakPolarHBondContact OD1-CD 3.4Å; N13-R195 PolarHBondContact OD1-NE 3.26Å; N13-R195 PolarHBondContact OD1-NH1 3.26Å
14	T	84.7	Confident	77.4	Confident	58 Å²	58	66.8 Å²	66.8	36%	0.356	38%	0.376	S	S	.	.	H	α-helix	trans	-63	-48.1	179.4	-55.9	0	0	0	0	110.7	L10 I11 Y16 L17 Q18	L10-T14 WeakPolarHBondContact O-CB 2.99Å; L10-T14 PolarHBondContact O-N 3.39Å; L10-T14 PolarHBondContact O-OG1 3.16Å; I11-T14 PolarHBondContact O-N 2.98Å; T14-Y16 PolarHBondContact O-N 3.1Å; T14-L17 PolarHBondContact O-N 2.72Å; T14-Q18 WeakPolarHBondContact O-CB 3.3Å; T14-Q18 VanDerWaalsContact O-CG 3.27Å; T14-Q18 WeakPolarHBondContact O-CG 3.34Å; T14-Q18 PolarHBondContact O-N 3.35Å
15	A	83.8	Confident	77	Confident	38 Å²	38	65.1 Å²	65.1	31%	0.314	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-42.6	177.6	0	0	0	0	0	112.1	I11 Q18 A19	I11-A15 WeakPolarHBondContact O-CB 3.46Å; I11-A15 PolarHBondContact O-N 2.9Å; A15-Q18 PolarHBondContact O-N 3.1Å; A15-A19 WeakPolarHBondContact O-CB 3.48Å; A15-A19 PolarHBondContact O-N 2.87Å
16	Y	85.6	Confident	77	Confident	4 Å²	4	67 Å²	67	2%	0.016	38%	0.378	C	S	.	.	H	α-helix	trans	-66	-43.8	177.9	170.6	-117.4	0	0	0	112.9	A12 N13 T14 Q18 A19 R20 R195 A207 M216 L270 N272 V478	A12-Y16 WeakPolarHBondContact O-CB 3.24Å; A12-Y16 PolarHBondContact O-N 3.18Å; N13-Y16 PolarHBondContact O-N 2.72Å; T14-Y16 PolarHBondContact O-N 3.1Å; Y16-Q18 VanDerWaalsContact C-N 3.33Å; Y16-Q18 PolarHBondContact O-N 3.09Å; Y16-A19 PolarHBondContact O-N 3.32Å; Y16-R20 HydrophobicContact CE2-CG 4.27Å; Y16-R20 WeakPolarHBondContact O-CG 3.39Å; Y16-R20 PolarHBondContact O-N 2.89Å; Y16-R20 VanDerWaalsContact O-N 3.12Å; Y16-R195 HydrophobicContact CG-CB 4.21Å; Y16-A207 HydrophobicContact CD2-CB 3.72Å; Y16-A207 HydrophobicContact CE2-CB 3.55Å; Y16-M216 HydrophobicContact CD2-CE 4.34Å; Y16-M216 HydrophobicContact CE2-CE 4.38Å; Y16-L270 HydrophobicContact CE2-CD2 4.35Å; Y16-N272 PolarHBondContact OH-OD1 2.62Å; Y16-V478 HydrophobicContact CD1-CG1 4.25Å; Y16-V478 HydrophobicContact CD1-CG2 3.87Å; Y16-V478 HydrophobicContact CE1-CB 4.5Å; Y16-V478 HydrophobicContact CE1-CG1 3.75Å; Y16-V478 HydrophobicContact CE1-CG2 3.95Å
17	L	85.7	Confident	77.1	Confident	46 Å²	46	66.9 Å²	66.9	24%	0.241	37%	0.374	C	S	.	.	H	α-helix	trans	-66.6	-35.4	176.8	-71.4	173.8	0	0	0	112.1	N13 T14 R20 S476 V478	N13-L17 WeakPolarHBondContact O-CB 3.43Å; N13-L17 VanDerWaalsContact O-CG 3.23Å; N13-L17 WeakPolarHBondContact O-CG 3.44Å; N13-L17 PolarHBondContact O-N 3.28Å; T14-L17 PolarHBondContact O-N 2.72Å; L17-R20 PolarHBondContact O-N 3.45Å; L17-S476 WeakPolarHBondContact CD1-O 3.36Å; L17-V478 HydrophobicContact CD1-CG2 4.36Å; L17-V478 HydrophobicContact CD2-CG2 3.89Å; L17-V478 HydrophobicContact CG-CG2 4.07Å
18	Q	84.4	Confident	77.1	Confident	126 Å²	126	69.7 Å²	69.7	59%	0.589	38%	0.384	S	S	*	.	H	α-helix	trans	-64.1	-46.1	171.9	-75.6	175	-10.1	0	0	111.1	T14 A15 Y16 R20 K21	T14-Q18 WeakPolarHBondContact O-CB 3.3Å; T14-Q18 VanDerWaalsContact O-CG 3.27Å; T14-Q18 WeakPolarHBondContact O-CG 3.34Å; T14-Q18 PolarHBondContact O-N 3.35Å; A15-Q18 PolarHBondContact O-N 3.1Å; Y16-Q18 VanDerWaalsContact C-N 3.33Å; Y16-Q18 PolarHBondContact O-N 3.09Å; Q18-R20 PolarHBondContact O-N 3.4Å; Q18-K21 CarbonylContact O-C 3.41Å; Q18-K21 PolarHBondContact O-N 3.03Å
19	A	82.2	Confident	77.2	Confident	14 Å²	14	69.7 Å²	69.7	12%	0.116	38%	0.381	C	S	.	.	H	α-helix	trans	-62.3	-27.5	178.4	0	0	0	0	0	113.8	A15 Y16 K21 F194 M216	A15-A19 WeakPolarHBondContact O-CB 3.48Å; A15-A19 PolarHBondContact O-N 2.87Å; Y16-A19 PolarHBondContact O-N 3.32Å; A19-K21 VanDerWaalsContact C-N 3.31Å; A19-F194 HydrophobicContact CB-CD1 3.85Å; A19-F194 HydrophobicContact CB-CE1 3.47Å; A19-F194 VanDerWaalsContact CB-CE1 3.47Å; A19-F194 HydrophobicContact CB-CE2 4.28Å; A19-F194 HydrophobicContact CB-CG 4.39Å; A19-F194 HydrophobicContact CB-CZ 3.7Å; A19-M216 HydrophobicContact CB-CE 3.96Å; A19-M216 HydrophobicContact CB-SD 4.11Å
20	R	81.2	Confident	77.3	Confident	40 Å²	40	70.7 Å²	70.7	15%	0.151	39%	0.386	C	S	.	.	H	α-helix	trans	-70.9	-24.2	174	-73.2	171.8	69	-167.2	2.4	113.3	Y16 L17 Q18 N272 D326 P475 V477	Y16-R20 HydrophobicContact CE2-CG 4.27Å; Y16-R20 WeakPolarHBondContact O-CG 3.39Å; Y16-R20 PolarHBondContact O-N 2.89Å; Y16-R20 VanDerWaalsContact O-N 3.12Å; L17-R20 PolarHBondContact O-N 3.45Å; Q18-R20 PolarHBondContact O-N 3.4Å; R20-N272 PolarHBondContact NE-ND2 3.47Å; R20-D326 IonicContact CZ-OD1 3.15Å; R20-D326 IonicContact NE-OD1 3.49Å; R20-D326 IonicContact NH2-OD1 2.83Å; R20-D326 PolarHBondContact NH2-OD1 3.22Å; R20-P475 PolarHBondContact NH1-O 2.94Å; R20-V477 PolarHBondContact NH1-O 3.15Å
21	K	76.9	Confident	77.4	Confident	128 Å²	128	70.3 Å²	70.3	56%	0.557	38%	0.382	S	S	*	.	S	Bend	trans	-113.6	96.8	-179	-67.9	-174.9	-177.8	-178.9	0	108.9	Q18 A19 S23	Q18-K21 CarbonylContact O-C 3.41Å; Q18-K21 PolarHBondContact O-N 3.03Å; A19-K21 VanDerWaalsContact C-N 3.31Å; K21-S23 PolarHBondContact O-N 3.08Å; K21-S23 VanDerWaalsContact O-N 3.09Å
22	P	61.1	Low	77.4	Confident	117 Å²	117	74 Å²	74	76%	0.76	39%	0.389	S	S	*	.			trans	-57.1	121.4	-177.3	21.2	-30.4	0	0	0	110.2
23	S	60.2	Low	77.5	Confident	51 Å²	51	76.8 Å²	76.8	36%	0.357	40%	0.395	S	S	.	.			trans	-88.5	163	174.5	76.1	0	0	0	0	111.3	K21 C25 D26 S27	K21-S23 PolarHBondContact O-N 3.08Å; K21-S23 VanDerWaalsContact O-N 3.09Å; S23-C25 PolarHBondContact O-N 3.13Å; S23-C25 PolarHBondContact OG-N 3.19Å; S23-D26 WeakPolarHBondContact CB-OD2 3.43Å; S23-D26 PolarHBondContact N-OD2 3.19Å; S23-D26 VanDerWaalsContact N-OD2 3.1Å; S23-D26 PolarHBondContact O-N 3.37Å; S23-D26 VanDerWaalsContact O-N 3.15Å; S23-D26 PolarHBondContact OG-N 3.48Å; S23-D26 PolarHBondContact OG-OD2 3.46Å; S23-S27 PolarHBondContact O-N 3.39Å
24	D	59.3	Low	77.7	Confident	141 Å²	141	75.9 Å²	75.9	75%	0.754	39%	0.39	S	S	*	.	H	α-helix	trans	-58.1	-29.5	173.9	-76.6	-13.4	0	0	0	113	K28	D24-K28 WeakPolarHBondContact O-CG 3.33Å; D24-K28 PolarHBondContact O-N 2.99Å
25	C	57.9	Low	77.8	Confident	89 Å²	89	81.1 Å²	81.1	60%	0.601	40%	0.403	S	S	*	.	H	α-helix	trans	-71.5	-45.3	176.9	-170.6	0	0	0	0	111.1	S23 S27 K28 E29	S23-C25 PolarHBondContact O-N 3.13Å; S23-C25 PolarHBondContact OG-N 3.19Å; C25-S27 VanDerWaalsContact C-N 3.28Å; C25-S27 PolarHBondContact O-N 3.33Å; C25-K28 PolarHBondContact O-N 3.06Å; C25-E29 PolarHBondContact O-N 3.17Å; C25-E29 VanDerWaalsContact O-N 3.08Å
26	D	67.3	Low	77.7	Confident	70 Å²	70	83 Å²	83	37%	0.374	41%	0.414	S	S	.	.	H	α-helix	trans	-62.2	-39.2	178.3	-56.4	-41.8	0	0	0	110.9	S23 K28 E29 L30	S23-D26 WeakPolarHBondContact CB-OD2 3.43Å; S23-D26 PolarHBondContact N-OD2 3.19Å; S23-D26 VanDerWaalsContact N-OD2 3.1Å; S23-D26 PolarHBondContact O-N 3.37Å; S23-D26 VanDerWaalsContact O-N 3.15Å; S23-D26 PolarHBondContact OG-N 3.48Å; S23-D26 PolarHBondContact OG-OD2 3.46Å; D26-K28 PolarHBondContact O-N 3.36Å; D26-E29 PolarHBondContact O-N 2.92Å; D26-L30 VanDerWaalsContact O-CB 3.27Å; D26-L30 WeakPolarHBondContact O-CB 3.27Å; D26-L30 PolarHBondContact O-N 3.12Å
27	S	74.6	Confident	77.9	Confident	53 Å²	53	83.2 Å²	83.2	37%	0.371	42%	0.415	S	S	.	.	H	α-helix	trans	-61.4	-42.2	175.9	-173.3	0	0	0	0	112.3	S23 C25 L30 Q31	S23-S27 PolarHBondContact O-N 3.39Å; C25-S27 VanDerWaalsContact C-N 3.28Å; C25-S27 PolarHBondContact O-N 3.33Å; S27-L30 PolarHBondContact O-N 2.78Å; S27-Q31 WeakPolarHBondContact O-CB 3.37Å; S27-Q31 VanDerWaalsContact O-CG 3.24Å; S27-Q31 WeakPolarHBondContact O-CG 3.42Å; S27-Q31 PolarHBondContact O-N 2.71Å
28	K	79.1	Confident	78	Confident	130 Å²	130	83.5 Å²	83.5	57%	0.565	42%	0.424	S	S	*	.	H	α-helix	trans	-66.8	-39.9	176.4	-74.6	173.8	179.5	170.1	0	112.6	D24 C25 D26 R32	D24-K28 WeakPolarHBondContact O-CG 3.33Å; D24-K28 PolarHBondContact O-N 2.99Å; C25-K28 PolarHBondContact O-N 3.06Å; D26-K28 PolarHBondContact O-N 3.36Å; K28-R32 WeakPolarHBondContact O-CG 3.21Å; K28-R32 PolarHBondContact O-N 2.88Å
29	E	81.5	Confident	78.2	Confident	89 Å²	89	78.8 Å²	78.8	42%	0.416	40%	0.403	S	S	.	.	H	α-helix	trans	-67	-44.3	176.7	-173.8	173.3	173	0	0	111.3	C25 D26 Q31 R32 R33	C25-E29 PolarHBondContact O-N 3.17Å; C25-E29 VanDerWaalsContact O-N 3.08Å; D26-E29 PolarHBondContact O-N 2.92Å; E29-Q31 VanDerWaalsContact C-N 3.35Å; E29-Q31 PolarHBondContact O-N 2.9Å; E29-R32 WeakPolarHBondContact O-CB 3.48Å; E29-R32 PolarHBondContact O-N 3.08Å; E29-R32 VanDerWaalsContact O-N 3.13Å; E29-R33 WeakPolarHBondContact O-CG 3.42Å; E29-R33 PolarHBondContact O-N 3.14Å; E29-R33 IonicContact OE1-CZ 3.36Å; E29-R33 IonicContact OE1-NE 3.07Å; E29-R33 PolarHBondContact OE1-NE 2.67Å; E29-R33 IonicContact OE1-NH2 2.76Å; E29-R33 PolarHBondContact OE1-NH2 3.24Å
30	L	84.3	Confident	78.5	Confident	37 Å²	37	78.9 Å²	78.9	19%	0.194	40%	0.403	C	S	.	.	H	α-helix	trans	-57.5	-47.6	174.6	-175.2	65	0	0	0	111.2	D26 S27 R32 R33 R34 N212	D26-L30 VanDerWaalsContact O-CB 3.27Å; D26-L30 WeakPolarHBondContact O-CB 3.27Å; D26-L30 PolarHBondContact O-N 3.12Å; S27-L30 PolarHBondContact O-N 2.78Å; L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 2.95Å; L30-R33 PolarHBondContact O-N 3.2Å; L30-R34 WeakPolarHBondContact O-CG 3.49Å; L30-R34 PolarHBondContact O-N 2.76Å; L30-N212 VanDerWaalsContact CD1-O 3.31Å; L30-N212 WeakPolarHBondContact CD1-O 3.49Å
31	Q	83.5	Confident	78.6	Confident	99 Å²	99	79.2 Å²	79.2	46%	0.463	42%	0.418	S	S	.	.	H	α-helix	trans	-57.9	-41.6	175	-76.3	174.6	4.1	0	0	112.3	S27 E29 R34 R35	S27-Q31 WeakPolarHBondContact O-CB 3.37Å; S27-Q31 VanDerWaalsContact O-CG 3.24Å; S27-Q31 WeakPolarHBondContact O-CG 3.42Å; S27-Q31 PolarHBondContact O-N 2.71Å; E29-Q31 VanDerWaalsContact C-N 3.35Å; E29-Q31 PolarHBondContact O-N 2.9Å; Q31-R34 PolarHBondContact O-N 3.07Å; Q31-R35 WeakPolarHBondContact O-CG 3.4Å; Q31-R35 PolarHBondContact O-N 3.43Å; Q31-R35 VanDerWaalsContact O-N 3.12Å
32	R	85.1	Confident	78.9	Confident	176 Å²	176	77.9 Å²	77.9	66%	0.664	42%	0.416	S	S	*	.	H	α-helix	trans	-61.8	-44.2	176.3	-74.4	173	-175.6	174.3	1.2	111.8	K28 E29 L30 R34 R35	K28-R32 WeakPolarHBondContact O-CG 3.21Å; K28-R32 PolarHBondContact O-N 2.88Å; E29-R32 WeakPolarHBondContact O-CB 3.48Å; E29-R32 PolarHBondContact O-N 3.08Å; E29-R32 VanDerWaalsContact O-N 3.13Å; L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 2.95Å; R32-R34 VanDerWaalsContact C-N 3.34Å; R32-R35 WeakPolarHBondContact O-CB 3.32Å; R32-R35 PolarHBondContact O-N 2.92Å
33	R	85.1	Confident	79.8	Confident	79 Å²	79	80.4 Å²	80.4	30%	0.298	42%	0.418	S	S	.	.	H	α-helix	trans	-64.2	-39.9	176.6	-67.3	176.1	-176.2	-178.4	0.8	111.5	E29 L30 R35 S36 K211	E29-R33 WeakPolarHBondContact O-CG 3.42Å; E29-R33 PolarHBondContact O-N 3.14Å; E29-R33 IonicContact OE1-CZ 3.36Å; E29-R33 IonicContact OE1-NE 3.07Å; E29-R33 PolarHBondContact OE1-NE 2.67Å; E29-R33 IonicContact OE1-NH2 2.76Å; E29-R33 PolarHBondContact OE1-NH2 3.24Å; L30-R33 PolarHBondContact O-N 3.2Å; R33-R35 VanDerWaalsContact C-N 3.31Å; R33-R35 PolarHBondContact O-N 3.02Å; R33-S36 PolarHBondContact O-OG 3.03Å; R33-S36 VanDerWaalsContact O-OG 3.08Å; R33-K211 WeakPolarHBondContact CD-O 3.45Å; R33-K211 VanDerWaalsContact NH1-CB 3.3Å; R33-K211 PolarHBondContact NH1-O 2.93Å; R33-K211 VanDerWaalsContact NH1-O 3.1Å
34	R	89.1	Confident	80.5	Confident	9 Å²	9	79.6 Å²	79.6	3%	0.034	42%	0.417	C	S	.	.	H	α-helix	trans	-65.5	-30.3	178.7	-71.4	-178.1	179.4	-168.4	-0.9	112.7	L30 Q31 R32 S36 L37 N212 T213 T524 L526 E529 R535	L30-R34 WeakPolarHBondContact O-CG 3.49Å; L30-R34 PolarHBondContact O-N 2.76Å; Q31-R34 PolarHBondContact O-N 3.07Å; R32-R34 VanDerWaalsContact C-N 3.34Å; R34-S36 PolarHBondContact O-N 2.97Å; R34-S36 VanDerWaalsContact O-N 3.14Å; R34-L37 HydrophobicContact CB-CD1 4.45Å; R34-L37 HydrophobicContact CG-CD1 4.21Å; R34-L37 VanDerWaalsContact O-CB 3.32Å; R34-L37 WeakPolarHBondContact O-CB 3.41Å; R34-L37 PolarHBondContact O-N 3.06Å; R34-N212 WeakPolarHBondContact CG-O 3Å; R34-N212 PolarHBondContact NE-O 3.41Å; R34-T213 PolarHBondContact NH2-O 3.13Å; R34-T524 PolarHBondContact NH1-O 3.33Å; R34-T524 PolarHBondContact NH2-O 3.25Å; R34-L526 HydrophobicContact CG-CD1 4.1Å; R34-E529 WeakPolarHBondContact CD-OE2 3.38Å; R34-E529 IonicContact CZ-OE1 2.85Å; R34-E529 IonicContact NH1-OE1 2.78Å; R34-E529 PolarHBondContact NH1-OE1 3.3Å; R34-E529 IonicContact NH1-OE2 3.83Å; R34-R535 PolarHBondContact O-NH2 3.08Å
35	R	85.3	Confident	81.8	Confident	168 Å²	168	73 Å²	73	63%	0.634	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.9	-178.6	-76.5	173.3	-169.9	-165.8	-0.6	114.7	Q31 R32 R33	Q31-R35 WeakPolarHBondContact O-CG 3.4Å; Q31-R35 PolarHBondContact O-N 3.43Å; Q31-R35 VanDerWaalsContact O-N 3.12Å; R32-R35 WeakPolarHBondContact O-CB 3.32Å; R32-R35 PolarHBondContact O-N 2.92Å; R33-R35 VanDerWaalsContact C-N 3.31Å; R33-R35 PolarHBondContact O-N 3.02Å
36	S	83.2	Confident	83.1	Confident	77 Å²	77	71.5 Å²	71.5	54%	0.538	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-13.8	177.6	53.6	0	0	0	0	113.4	R33 R34 C550	R33-S36 PolarHBondContact O-OG 3.03Å; R33-S36 VanDerWaalsContact O-OG 3.08Å; R34-S36 PolarHBondContact O-N 2.97Å; R34-S36 VanDerWaalsContact O-N 3.14Å; S36-C550 PolarHBondContact O-SG 3.47Å
37	L	88.6	Confident	84.1	Confident	8 Å²	8	73.9 Å²	73.9	4%	0.042	39%	0.385	C	S	.	.			trans	-74.2	131.8	179.1	-58.7	177.1	0	0	0	110.4	R34 F181 N212 L526 L530 R535 L552	R34-L37 HydrophobicContact CB-CD1 4.45Å; R34-L37 HydrophobicContact CG-CD1 4.21Å; R34-L37 VanDerWaalsContact O-CB 3.32Å; R34-L37 WeakPolarHBondContact O-CB 3.41Å; R34-L37 PolarHBondContact O-N 3.06Å; L37-F181 HydrophobicContact CD2-CZ 4.35Å; L37-N212 HydrophobicContact CD1-CB 4.04Å; L37-L526 HydrophobicContact CD1-CD1 4.27Å; L37-L526 HydrophobicContact CD1-CD2 4.32Å; L37-L530 HydrophobicContact CB-CD2 4.22Å; L37-R535 PolarHBondContact O-NH1 3.05Å; L37-L552 HydrophobicContact CD2-CD2 3.83Å
38	A	88.3	Confident	84.7	Confident	52 Å²	52	72 Å²	72	43%	0.43	37%	0.371	S	S	.	.			trans	-141.3	147.4	171.6	0	0	0	0	0	109.1
39	L	89.3	Confident	85.3	Confident	27 Å²	27	70 Å²	70	14%	0.141	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-66.6	143.1	173.2	-69.6	177.9	0	0	0	110.4	K174 Q177 W178 F181 L530	L39-K174 HydrophobicContact CD1-CD 4.07Å; L39-K174 VanDerWaalsContact CD1-CE 3.43Å; L39-Q177 HydrophobicContact CB-CB 4.29Å; L39-Q177 HydrophobicContact CD1-CB 4.4Å; L39-W178 HydrophobicContact CD1-CD2 4.4Å; L39-W178 HydrophobicContact CD1-CZ2 4.17Å; L39-W178 HydrophobicContact CD2-CD2 3.74Å; L39-W178 HydrophobicContact CD2-CE3 3.72Å; L39-W178 HydrophobicContact CD2-CG 4.38Å; L39-W178 HydrophobicContact CD2-CH2 4.07Å; L39-W178 HydrophobicContact CD2-CZ2 4.07Å; L39-W178 HydrophobicContact CD2-CZ3 3.87Å; L39-F181 HydrophobicContact CD2-CB 4.16Å; L39-F181 HydrophobicContact CD2-CG 4.26Å; L39-L530 HydrophobicContact CD2-CD1 4.2Å; L39-L530 HydrophobicContact CG-CB 4.31Å; L39-L530 HydrophobicContact CG-CD1 4.47Å
40	P	87.8	Confident	85.6	Confident	17 Å²	17	73.9 Å²	73.9	11%	0.11	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-56.7	147.7	175.1	-26.1	36.3	0	0	0	112.5	Q177 L180 F181	P40-Q177 WeakPolarHBondContact O-CG 3.24Å; P40-Q177 PolarHBondContact O-NE2 3.15Å; P40-L180 HydrophobicContact CB-CB 4Å; P40-L180 HydrophobicContact CB-CD1 3.91Å; P40-L180 HydrophobicContact CG-CB 3.78Å; P40-F181 HydrophobicContact CG-CB 4.48Å
41	G	84.1	Confident	85.8	Confident	46 Å²	46	79.2 Å²	79.2	47%	0.474	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-66.2	161.4	175.2	0	0	0	0	0	113.1	Q43 G44	G41-Q43 PolarHBondContact O-N 3.49Å; G41-Q43 VanDerWaalsContact O-N 3.11Å; G41-G44 PolarHBondContact O-N 3.43Å
42	L	82.5	Confident	86	Confident	100 Å²	100	76.6 Å²	76.6	52%	0.524	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-63.8	-18.1	-176	-65.8	175.3	0	0	0	114.5	G44 C45 D173 Q177	L42-G44 VanDerWaalsContact C-N 3.26Å; L42-G44 PolarHBondContact O-N 2.96Å; L42-C45 VanDerWaalsContact O-CB 3.3Å; L42-C45 WeakPolarHBondContact O-CB 2.81Å; L42-C45 PolarHBondContact O-N 3.09Å; L42-D173 HydrophobicContact CD2-CB 4.02Å; L42-Q177 HydrophobicContact CD2-CG 4Å
43	Q	79.5	Confident	86.2	Confident	171 Å²	171	72 Å²	72	80%	0.799	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-59.2	-34.8	-178	-67.8	141.3	1.7	0	0	112.7	G41	G41-Q43 PolarHBondContact O-N 3.49Å; G41-Q43 VanDerWaalsContact O-N 3.11Å
44	G	76.3	Confident	86.5	Confident	33 Å²	33	72.5 Å²	72.5	34%	0.34	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-80.6	-13.6	176.4	0	0	0	0	0	114.3	G41 L42 A46	G41-G44 PolarHBondContact O-N 3.43Å; L42-G44 VanDerWaalsContact C-N 3.26Å; L42-G44 PolarHBondContact O-N 2.96Å; G44-A46 VanDerWaalsContact C-N 3.29Å; G44-A46 PolarHBondContact O-N 3.38Å
45	C	86.1	Confident	86.8	Confident	4 Å²	4	75.7 Å²	75.7	3%	0.027	42%	0.415	C	S	.	.	H	α-helix	trans	-73.2	-24.5	-173.4	-66.4	0	0	0	0	112.1	L42 E47 I48 R49 L176 L180	L42-C45 VanDerWaalsContact O-CB 3.3Å; L42-C45 WeakPolarHBondContact O-CB 2.81Å; L42-C45 PolarHBondContact O-N 3.09Å; C45-E47 VanDerWaalsContact C-N 3.35Å; C45-E47 PolarHBondContact O-N 3.48Å; C45-I48 PolarHBondContact O-N 2.97Å; C45-R49 VanDerWaalsContact O-CB 3.24Å; C45-R49 WeakPolarHBondContact O-CB 3.33Å; C45-R49 PolarHBondContact O-N 3.44Å; C45-L176 HydrophobicContact CB-CB 3.85Å; C45-L176 HydrophobicContact CB-CD1 4.16Å; C45-L180 HydrophobicContact CB-CD1 4.48Å; C45-L180 WeakPolarHBondContact SG-CD1 3.13Å
46	A	85.7	Confident	87.2	Confident	57 Å²	57	68.5 Å²	68.5	47%	0.471	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-41	-178.8	0	0	0	0	0	112.6	G44 Q50	G44-A46 VanDerWaalsContact C-N 3.29Å; G44-A46 PolarHBondContact O-N 3.38Å; A46-Q50 WeakPolarHBondContact O-CG 3.42Å; A46-Q50 PolarHBondContact O-N 2.93Å
47	E	87	Confident	87.7	Confident	119 Å²	119	69.2 Å²	69.2	56%	0.556	38%	0.383	S	S	*	.	H	α-helix	trans	-69.7	-43.7	179.3	-171.5	-178.9	170.3	0	0	111.4	C45 R49 Q50 K51	C45-E47 VanDerWaalsContact C-N 3.35Å; C45-E47 PolarHBondContact O-N 3.48Å; E47-R49 VanDerWaalsContact C-N 3.34Å; E47-R49 PolarHBondContact O-N 3.24Å; E47-Q50 PolarHBondContact O-N 3.41Å; E47-K51 HydrophobicContact CG-CD 4.46Å; E47-K51 WeakPolarHBondContact O-CG 3.49Å; E47-K51 PolarHBondContact O-N 3.16Å; E47-K51 VanDerWaalsContact OE1-CE 3.3Å; E47-K51 WeakPolarHBondContact OE1-CE 3.34Å; E47-K51 IonicContact OE1-NZ 3.37Å; E47-K51 PolarHBondContact OE1-NZ 3.44Å
48	I	88.6	Confident	88	Confident	14 Å²	14	70.7 Å²	70.7	7%	0.072	39%	0.394	C	S	.	.	H	α-helix	trans	-63.6	-42	176.5	-66.8	-158.4	0	0	0	111	C45 Q50 K51 L52 L176 K179 L180 M183	C45-I48 PolarHBondContact O-N 2.97Å; I48-Q50 PolarHBondContact O-N 2.85Å; I48-K51 PolarHBondContact O-N 3.24Å; I48-L52 HydrophobicContact CG2-CD1 3.38Å; I48-L52 HydrophobicContact CG2-CG 3.76Å; I48-L52 WeakPolarHBondContact O-CG 3.5Å; I48-L52 PolarHBondContact O-N 2.93Å; I48-L176 HydrophobicContact CB-CD2 4.41Å; I48-L176 HydrophobicContact CG2-CD2 3.72Å; I48-K179 HydrophobicContact CD1-CB 4.33Å; I48-K179 HydrophobicContact CG2-CB 4.26Å; I48-L180 HydrophobicContact CD1-CB 4.29Å; I48-L180 HydrophobicContact CD1-CD2 3.3Å; I48-L180 HydrophobicContact CD1-CG 3.57Å; I48-L180 HydrophobicContact CG1-CD2 3.77Å; I48-L180 HydrophobicContact CG1-CG 4.28Å; I48-M183 HydrophobicContact CD1-SD 3.55Å; I48-M183 VanDerWaalsContact CD1-SD 3.55Å; I48-M183 HydrophobicContact CG1-SD 4.42Å
49	R	90.9	Very high	88.3	Confident	87 Å²	87	68.4 Å²	68.4	33%	0.328	37%	0.374	S	S	.	.	H	α-helix	trans	-56.7	-34.2	178	-175.8	178.5	-80.6	-92.5	6	112.4	C45 E47 L167 Y172 D173 L176	C45-R49 VanDerWaalsContact O-CB 3.24Å; C45-R49 WeakPolarHBondContact O-CB 3.33Å; C45-R49 PolarHBondContact O-N 3.44Å; E47-R49 VanDerWaalsContact C-N 3.34Å; E47-R49 PolarHBondContact O-N 3.24Å; R49-L167 PolarHBondContact NH1-O 3.45Å; R49-Y172 HydrophobicContact CG-CE1 4.44Å; R49-D173 IonicContact CZ-OD1 3.09Å; R49-D173 IonicContact NH2-OD1 2.83Å; R49-D173 PolarHBondContact NH2-OD1 3.42Å; R49-L176 HydrophobicContact CB-CD1 3.85Å; R49-L176 HydrophobicContact CB-CD2 4.36Å; R49-L176 HydrophobicContact CG-CD1 4.19Å
50	Q	87.8	Confident	88.7	Confident	171 Å²	171	67.3 Å²	67.3	80%	0.799	37%	0.369	S	S	*	.	H	α-helix	trans	-78.5	-31.9	176.5	-69	178	10.7	0	0	113.1	A46 E47 I48	A46-Q50 WeakPolarHBondContact O-CG 3.42Å; A46-Q50 PolarHBondContact O-N 2.93Å; E47-Q50 PolarHBondContact O-N 3.41Å; I48-Q50 PolarHBondContact O-N 2.85Å
51	K	87.6	Confident	88.9	Confident	149 Å²	149	69.6 Å²	69.6	65%	0.648	38%	0.378	S	S	*	.	H	α-helix	trans	-81.1	-32.4	-178.7	-71.2	-180	-175.1	172.2	0	113.3	E47 I48	E47-K51 HydrophobicContact CG-CD 4.46Å; E47-K51 WeakPolarHBondContact O-CG 3.49Å; E47-K51 PolarHBondContact O-N 3.16Å; E47-K51 VanDerWaalsContact OE1-CE 3.3Å; E47-K51 WeakPolarHBondContact OE1-CE 3.34Å; E47-K51 IonicContact OE1-NZ 3.37Å; E47-K51 PolarHBondContact OE1-NZ 3.44Å; I48-K51 PolarHBondContact O-N 3.24Å
52	L	89	Confident	89.3	Confident	45 Å²	45	71.7 Å²	71.7	24%	0.236	38%	0.375	C	S	.	.	S	Bend	trans	-75.8	130	179.8	-72.7	176.6	0	0	0	110.7	I48 F175 L176 K179	I48-L52 HydrophobicContact CG2-CD1 3.38Å; I48-L52 HydrophobicContact CG2-CG 3.76Å; I48-L52 WeakPolarHBondContact O-CG 3.5Å; I48-L52 PolarHBondContact O-N 2.93Å; L52-F175 HydrophobicContact CD1-CE1 4.14Å; L52-L176 HydrophobicContact CD1-CD2 3.81Å; L52-K179 HydrophobicContact CD1-CG 4.27Å
53	S	89.5	Confident	90	Very high	80 Å²	80	67.5 Å²	67.5	56%	0.559	35%	0.353	S	S	*	.			trans	-73.4	134.8	169.8	55.2	0	0	0	0	110	N55	S53-N55 PolarHBondContact O-N 3.27Å
54	P	89.9	Confident	90.9	Very high	89 Å²	89	59.7 Å²	59.7	58%	0.578	32%	0.317	S	S	*	.			trans	-77.8	67.7	176.4	32.5	-35.1	0	0	0	110.3	F163 L167	P54-F163 WeakPolarHBondContact O-CE1 3.34Å; P54-L167 HydrophobicContact CB-CD1 3.74Å; P54-L167 HydrophobicContact CB-CD2 4.49Å
55	N	94.9	Very high	91.9	Very high	75 Å²	75	58.1 Å²	58.1	40%	0.401	30%	0.301	S	S	.	.			trans	-100.5	117.7	178.8	-179.2	-81.2	0	0	0	110.2	S53 H57 S58 L59	S53-N55 PolarHBondContact O-N 3.27Å; N55-H57 PolarHBondContact O-N 3.15Å; N55-H57 WeakPolarHBondContact OD1-CB 3.49Å; N55-H57 PolarHBondContact OD1-N 2.69Å; N55-S58 PolarHBondContact O-N 3.11Å; N55-S58 WeakPolarHBondContact OD1-CB 3.35Å; N55-S58 PolarHBondContact OD1-N 3.15Å; N55-L59 WeakPolarHBondContact O-CB 3.29Å; N55-L59 WeakPolarHBondContact O-CG 3.39Å; N55-L59 PolarHBondContact O-N 3.23Å
56	F	95.3	Very high	92.4	Very high	18 Å²	18	58 Å²	58	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-56.4	-50.8	-178.3	176.4	-91.5	0	0	0	112.5	S58 L59 C60 E61 F70 M155 L158 Q159 F163	F56-S58 VanDerWaalsContact C-N 3.32Å; F56-S58 PolarHBondContact O-N 3.23Å; F56-L59 PolarHBondContact O-N 2.99Å; F56-C60 HydrophobicContact CD2-CB 3.97Å; F56-C60 HydrophobicContact CE2-CB 3.9Å; F56-C60 HydrophobicContact CG-CB 4.41Å; F56-C60 HydrophobicContact CZ-CB 4.26Å; F56-C60 WeakPolarHBondContact O-CA 3.48Å; F56-C60 WeakPolarHBondContact O-CB 3.47Å; F56-C60 PolarHBondContact O-N 3.46Å; F56-E61 HydrophobicContact CD1-CG 4.19Å; F56-E61 HydrophobicContact CE1-CG 3.68Å; F56-E61 HydrophobicContact CZ-CG 4.44Å; F56-F70 HydrophobicContact CE2-CD1 4.44Å; F56-F70 AromaticContact CE2-CE1 3.57Å; F56-F70 HydrophobicContact CE2-CE1 3.57Å; F56-F70 AromaticContact CE2-CZ 3.7Å; F56-F70 HydrophobicContact CE2-CZ 3.7Å; F56-F70 HydrophobicContact CZ-CE1 4.03Å; F56-M155 HydrophobicContact CE1-SD 3.54Å; F56-M155 VanDerWaalsContact CE1-SD 3.54Å; F56-M155 HydrophobicContact CZ-SD 3.75Å; F56-L158 HydrophobicContact CE2-CB 4.33Å; F56-L158 HydrophobicContact CZ-CB 4.27Å; F56-Q159 HydrophobicContact CB-CG 4.26Å; F56-Q159 HydrophobicContact CD1-CG 3.45Å; F56-Q159 VanDerWaalsContact CD1-CG 3.45Å; F56-Q159 HydrophobicContact CD2-CG 4.01Å; F56-Q159 HydrophobicContact CE1-CG 3.63Å; F56-Q159 HydrophobicContact CE2-CG 4.16Å; F56-Q159 HydrophobicContact CG-CB 4.42Å; F56-Q159 HydrophobicContact CG-CG 3.64Å; F56-Q159 HydrophobicContact CZ-CG 3.99Å; F56-F163 HydrophobicContact CB-CD1 4.12Å; F56-F163 HydrophobicContact CB-CD2 4.39Å; F56-F163 HydrophobicContact CB-CE1 4.04Å; F56-F163 HydrophobicContact CB-CE2 4.32Å; F56-F163 HydrophobicContact CB-CG 4.29Å; F56-F163 HydrophobicContact CB-CZ 4.15Å; F56-F163 HydrophobicContact CD2-CB 3.92Å; F56-F163 HydrophobicContact CD2-CD1 4.38Å; F56-F163 AromaticContact CD2-CD2 3.7Å; F56-F163 HydrophobicContact CD2-CD2 3.7Å; F56-F163 HydrophobicContact CD2-CE2 4.3Å; F56-F163 AromaticContact CD2-CG 3.75Å; F56-F163 HydrophobicContact CD2-CG 3.75Å; F56-F163 HydrophobicContact CE2-CB 4.49Å
57	H	94.1	Very high	93	Very high	92 Å²	92	61.9 Å²	61.9	43%	0.426	30%	0.303	S	S	.	.	I	π-helix	trans	-58.3	-44.6	-177	-174.6	65.3	0	0	0	111.8	N55 E61 Q62	N55-H57 PolarHBondContact O-N 3.15Å; N55-H57 WeakPolarHBondContact OD1-CB 3.49Å; N55-H57 PolarHBondContact OD1-N 2.69Å; H57-E61 WeakPolarHBondContact CA-OE2 3.34Å; H57-E61 IonicContact CE1-OE2 3.94Å; H57-E61 IonicContact CG-OE2 3.23Å; H57-E61 IonicContact ND1-OE2 2.69Å; H57-E61 PolarHBondContact ND1-OE2 2.92Å; H57-E61 WeakPolarHBondContact O-CB 3.4Å; H57-E61 PolarHBondContact O-N 3.29Å; H57-Q62 PolarHBondContact CD2-NE2 3.08Å; H57-Q62 PolarHBondContact NE2-NE2 2.9Å; H57-Q62 WeakPolarHBondContact O-CG 3.34Å; H57-Q62 PolarHBondContact O-N 3.04Å
58	S	93.9	Very high	93.5	Very high	38 Å²	38	59.7 Å²	59.7	27%	0.266	29%	0.29	S	S	.	.	I	π-helix	trans	-69.3	-42.1	178.8	-175.8	0	0	0	0	113.3	N55 F56 Q63	N55-S58 PolarHBondContact O-N 3.11Å; N55-S58 WeakPolarHBondContact OD1-CB 3.35Å; N55-S58 PolarHBondContact OD1-N 3.15Å; F56-S58 VanDerWaalsContact C-N 3.32Å; F56-S58 PolarHBondContact O-N 3.23Å; S58-Q63 WeakPolarHBondContact O-CB 3.22Å; S58-Q63 VanDerWaalsContact O-CG 3.25Å; S58-Q63 WeakPolarHBondContact O-CG 3.4Å; S58-Q63 PolarHBondContact O-N 3.29Å; S58-Q63 PolarHBondContact O-NE2 3.47Å
59	L	95.4	Very high	93.9	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.021	29%	0.288	C	S	.	.	I	π-helix	trans	-84.8	-41.9	-172.6	-64.9	177.3	0	0	0	112.9	N55 F56 G66 R67 F163 L167 Y172 F175	N55-L59 WeakPolarHBondContact O-CB 3.29Å; N55-L59 WeakPolarHBondContact O-CG 3.39Å; N55-L59 PolarHBondContact O-N 3.23Å; F56-L59 PolarHBondContact O-N 2.99Å; L59-G66 CarbonylContact O-C 3.49Å; L59-G66 VanDerWaalsContact O-C 3.25Å; L59-G66 WeakPolarHBondContact O-CA 3.14Å; L59-R67 PolarHBondContact O-N 3.39Å; L59-F163 HydrophobicContact CD1-CE2 4.32Å; L59-F163 HydrophobicContact CD1-CZ 4.13Å; L59-L167 HydrophobicContact CD1-CD2 4.22Å; L59-Y172 HydrophobicContact CD1-CE2 4.15Å; L59-F175 HydrophobicContact CD2-CE1 3.56Å; L59-F175 HydrophobicContact CD2-CZ 3.63Å
60	C	96.1	Very high	94.2	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.034	27%	0.274	C	S	.	.	I	π-helix	trans	-106.7	-17	-168.1	-62.3	0	0	0	0	113.5	F56 R67 F70	F56-C60 HydrophobicContact CD2-CB 3.97Å; F56-C60 HydrophobicContact CE2-CB 3.9Å; F56-C60 HydrophobicContact CG-CB 4.41Å; F56-C60 HydrophobicContact CZ-CB 4.26Å; F56-C60 WeakPolarHBondContact O-CA 3.48Å; F56-C60 WeakPolarHBondContact O-CB 3.47Å; F56-C60 PolarHBondContact O-N 3.46Å; C60-R67 VanDerWaalsContact O-CA 3.24Å; C60-R67 WeakPolarHBondContact O-CA 3.3Å; C60-R67 WeakPolarHBondContact O-CB 3.24Å; C60-R67 VanDerWaalsContact O-CG 3.28Å; C60-R67 WeakPolarHBondContact O-CG 3.34Å; C60-F70 HydrophobicContact CB-CB 4.21Å; C60-F70 HydrophobicContact CB-CD1 3.71Å; C60-F70 HydrophobicContact CB-CE1 4.19Å; C60-F70 HydrophobicContact CB-CG 3.95Å
61	E	92.7	Very high	94.7	Very high	64 Å²	64	53 Å²	53	30%	0.299	26%	0.257	S	S	.	.	I	π-helix	trans	-110.6	-52.9	178.2	-60.2	-174.6	105.2	0	0	112.4	F56 H57 M155	F56-E61 HydrophobicContact CD1-CG 4.19Å; F56-E61 HydrophobicContact CE1-CG 3.68Å; F56-E61 HydrophobicContact CZ-CG 4.44Å; H57-E61 WeakPolarHBondContact CA-OE2 3.34Å; H57-E61 IonicContact CE1-OE2 3.94Å; H57-E61 IonicContact CG-OE2 3.23Å; H57-E61 IonicContact ND1-OE2 2.69Å; H57-E61 PolarHBondContact ND1-OE2 2.92Å; H57-E61 WeakPolarHBondContact O-CB 3.4Å; H57-E61 PolarHBondContact O-N 3.29Å; E61-M155 WeakPolarHBondContact OE1-CE 3.4Å
62	Q	93.4	Very high	95.1	Very high	90 Å²	90	48.3 Å²	48.3	42%	0.421	24%	0.239	S	C	.	.	I	π-helix	trans	-77.8	-39.4	-174.1	-68.3	-175.6	-13.4	0	0	113.7	H57 P64 I515	H57-Q62 PolarHBondContact CD2-NE2 3.08Å; H57-Q62 PolarHBondContact NE2-NE2 2.9Å; H57-Q62 WeakPolarHBondContact O-CG 3.34Å; H57-Q62 PolarHBondContact O-N 3.04Å; Q62-P64 VanDerWaalsContact O-CD 3.31Å; Q62-P64 WeakPolarHBondContact O-CD 3.33Å; Q62-I515 HydrophobicContact CB-CD1 4.44Å
63	Q	96.3	Very high	95.5	Very high	13 Å²	13	46.9 Å²	46.9	6%	0.061	23%	0.231	C	C	.	.	S	Bend	trans	-84.7	114.8	-176	-82.5	-178.7	84.9	0	0	111.4	S58 I65 G66 R67 K179	S58-Q63 WeakPolarHBondContact O-CB 3.22Å; S58-Q63 VanDerWaalsContact O-CG 3.25Å; S58-Q63 WeakPolarHBondContact O-CG 3.4Å; S58-Q63 PolarHBondContact O-N 3.29Å; S58-Q63 PolarHBondContact O-NE2 3.47Å; Q63-I65 PolarHBondContact O-N 2.99Å; Q63-G66 PolarHBondContact O-N 3.21Å; Q63-G66 VanDerWaalsContact O-N 3.15Å; Q63-R67 WeakPolarHBondContact O-CB 3.08Å; Q63-R67 PolarHBondContact O-N 3.48Å; Q63-K179 VanDerWaalsContact OE1-CE 3.31Å
64	P	97.3	Very high	95.8	Very high	7 Å²	7	43.4 Å²	43.4	5%	0.045	21%	0.206	C	C	.	.	H	α-helix	trans	-56.1	-45.1	-173.5	-23.1	27.6	0	0	0	114.8	Q62 R68 I515 Q518 E519 I522	Q62-P64 VanDerWaalsContact O-CD 3.31Å; Q62-P64 WeakPolarHBondContact O-CD 3.33Å; P64-R68 WeakPolarHBondContact O-CB 3.39Å; P64-R68 PolarHBondContact O-N 3.4Å; P64-I515 HydrophobicContact CG-CG2 4.26Å; P64-Q518 HydrophobicContact CB-CB 3.96Å; P64-Q518 HydrophobicContact CG-CB 3.81Å; P64-E519 HydrophobicContact CB-CG 4.34Å; P64-E519 HydrophobicContact CG-CG 3.6Å; P64-I522 HydrophobicContact CB-CD1 3.64Å
65	I	98.1	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.5	-41.2	179.1	-73.8	179.9	0	0	0	110.3	Q63 R68 L69 F175 W178 W517 Q518 I521 I522 F527	Q63-I65 PolarHBondContact O-N 2.99Å; I65-R68 PolarHBondContact O-N 2.88Å; I65-L69 HydrophobicContact CG2-CD1 3.71Å; I65-L69 HydrophobicContact CG2-CG 4.31Å; I65-L69 WeakPolarHBondContact O-CB 3.37Å; I65-L69 WeakPolarHBondContact O-CG 3.31Å; I65-L69 PolarHBondContact O-N 3.01Å; I65-F175 HydrophobicContact CG2-CD2 4.28Å; I65-W178 HydrophobicContact CD1-CB 4.35Å; I65-W178 HydrophobicContact CD1-CD2 3.92Å; I65-W178 HydrophobicContact CD1-CE3 3.93Å; I65-W178 HydrophobicContact CD1-CG 4.13Å; I65-W178 HydrophobicContact CG2-CB 4.09Å; I65-W178 HydrophobicContact CG2-CG 3.96Å; I65-W517 HydrophobicContact CD1-CZ3 4.17Å; I65-Q518 HydrophobicContact CB-CB 4.37Å; I65-Q518 HydrophobicContact CB-CG 4.1Å; I65-Q518 HydrophobicContact CD1-CB 4.15Å; I65-Q518 HydrophobicContact CD1-CG 3.86Å; I65-Q518 HydrophobicContact CG1-CB 3.9Å; I65-Q518 HydrophobicContact CG1-CG 3.93Å; I65-I521 HydrophobicContact CD1-CB 4.27Å; I65-I521 HydrophobicContact CD1-CG2 4.04Å; I65-I522 HydrophobicContact CG1-CD1 3.93Å; I65-I522 HydrophobicContact CG1-CG1 4.06Å; I65-F527 HydrophobicContact CB-CE2 4.49Å; I65-F527 HydrophobicContact CD1-CD2 4.1Å; I65-F527 HydrophobicContact CG1-CD2 4.01Å; I65-F527 HydrophobicContact CG1-CE2 4.25Å; I65-F527 HydrophobicContact CG2-CD2 4.3Å; I65-F527 HydrophobicContact CG2-CE2 3.76Å
66	G	97.6	Very high	96.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-44	178	0	0	0	0	0	112.3	L59 Q63 R68 L69 F70	L59-G66 CarbonylContact O-C 3.49Å; L59-G66 VanDerWaalsContact O-C 3.25Å; L59-G66 WeakPolarHBondContact O-CA 3.14Å; Q63-G66 PolarHBondContact O-N 3.21Å; Q63-G66 VanDerWaalsContact O-N 3.15Å; G66-R68 PolarHBondContact O-N 2.99Å; G66-L69 PolarHBondContact O-N 3.34Å; G66-F70 VanDerWaalsContact O-CB 3.26Å; G66-F70 WeakPolarHBondContact O-CB 3.49Å; G66-F70 PolarHBondContact O-N 3.38Å
67	R	97.1	Very high	96.1	Very high	139 Å²	139	42.6 Å²	42.6	53%	0.525	21%	0.207	S	C	.	.	H	α-helix	trans	-57.8	-45.7	171.2	-178.3	174.2	61.9	177.5	-2.1	112.2	L59 C60 Q63 F70 R71	L59-R67 PolarHBondContact O-N 3.39Å; C60-R67 VanDerWaalsContact O-CA 3.24Å; C60-R67 WeakPolarHBondContact O-CA 3.3Å; C60-R67 WeakPolarHBondContact O-CB 3.24Å; C60-R67 VanDerWaalsContact O-CG 3.28Å; C60-R67 WeakPolarHBondContact O-CG 3.34Å; Q63-R67 WeakPolarHBondContact O-CB 3.08Å; Q63-R67 PolarHBondContact O-N 3.48Å; R67-F70 PolarHBondContact O-N 2.97Å; R67-R71 WeakPolarHBondContact O-CB 3.41Å; R67-R71 PolarHBondContact O-N 2.96Å
68	R	97	Very high	95.9	Very high	73 Å²	73	42.3 Å²	42.3	28%	0.275	21%	0.214	S	C	.	.	H	α-helix	trans	-62.9	-49.5	178.8	-177.8	58	174.1	-83.4	-11.7	111.6	P64 I65 G66 F70 R71 D72 F527 E528	P64-R68 WeakPolarHBondContact O-CB 3.39Å; P64-R68 PolarHBondContact O-N 3.4Å; I65-R68 PolarHBondContact O-N 2.88Å; G66-R68 PolarHBondContact O-N 2.99Å; R68-F70 VanDerWaalsContact C-N 3.32Å; R68-F70 PolarHBondContact O-N 3.21Å; R68-R71 PolarHBondContact O-N 3.36Å; R68-D72 IonicContact NE-OD1 2.71Å; R68-D72 IonicContact NE-OD2 3.68Å; R68-D72 VanDerWaalsContact O-CG 3.23Å; R68-D72 PolarHBondContact O-N 3.4Å; R68-F527 HydrophobicContact CG-CE1 3.78Å; R68-F527 HydrophobicContact CG-CZ 4.06Å; R68-E528 IonicContact CZ-OE1 2.69Å; R68-E528 IonicContact NH1-OE1 3.55Å; R68-E528 PolarHBondContact NH1-OE1 3.17Å; R68-E528 IonicContact NH2-OE1 3.79Å; R68-E528 PolarHBondContact NH2-OE1 3.42Å; R68-E528 VanDerWaalsContact NH2-OE1 3.15Å
69	L	97.9	Very high	95.8	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-35.7	178.3	-72.3	170.1	0	0	0	112.4	I65 G66 D72 F73 F166 F171 K174 F175 F527	I65-L69 HydrophobicContact CG2-CD1 3.71Å; I65-L69 HydrophobicContact CG2-CG 4.31Å; I65-L69 WeakPolarHBondContact O-CB 3.37Å; I65-L69 WeakPolarHBondContact O-CG 3.31Å; I65-L69 PolarHBondContact O-N 3.01Å; G66-L69 PolarHBondContact O-N 3.34Å; L69-D72 PolarHBondContact O-N 2.98Å; L69-F73 WeakPolarHBondContact O-CB 3.45Å; L69-F73 PolarHBondContact O-N 3.37Å; L69-F166 HydrophobicContact CB-CE2 4.35Å; L69-F171 HydrophobicContact CD2-CD1 4.46Å; L69-K174 HydrophobicContact CD1-CB 4.46Å; L69-K174 HydrophobicContact CD1-CG 4.5Å; L69-K174 HydrophobicContact CD2-CB 4.47Å; L69-K174 HydrophobicContact CD2-CG 4.23Å; L69-F175 HydrophobicContact CD1-CB 3.67Å; L69-F175 HydrophobicContact CD1-CD2 4.4Å; L69-F527 HydrophobicContact CD2-CE2 4.36Å; L69-F527 HydrophobicContact CD2-CZ 3.87Å; L69-F527 HydrophobicContact CG-CE2 4.3Å; L69-F527 HydrophobicContact CG-CZ 4.02Å
70	F	97.9	Very high	95.7	Very high	9 Å²	9	43.8 Å²	43.8	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-45.3	173.9	-175.8	-122.1	0	0	0	110.9	F56 C60 G66 R67 R68 D72 F73 L74 L158 F166	F56-F70 HydrophobicContact CE2-CD1 4.44Å; F56-F70 AromaticContact CE2-CE1 3.57Å; F56-F70 HydrophobicContact CE2-CE1 3.57Å; F56-F70 AromaticContact CE2-CZ 3.7Å; F56-F70 HydrophobicContact CE2-CZ 3.7Å; F56-F70 HydrophobicContact CZ-CE1 4.03Å; C60-F70 HydrophobicContact CB-CB 4.21Å; C60-F70 HydrophobicContact CB-CD1 3.71Å; C60-F70 HydrophobicContact CB-CE1 4.19Å; C60-F70 HydrophobicContact CB-CG 3.95Å; G66-F70 VanDerWaalsContact O-CB 3.26Å; G66-F70 WeakPolarHBondContact O-CB 3.49Å; G66-F70 PolarHBondContact O-N 3.38Å; R67-F70 PolarHBondContact O-N 2.97Å; R68-F70 VanDerWaalsContact C-N 3.32Å; R68-F70 PolarHBondContact O-N 3.21Å; F70-D72 VanDerWaalsContact C-N 3.35Å; F70-D72 PolarHBondContact O-N 3.33Å; F70-F73 HydrophobicContact CD2-CD1 4.11Å; F70-F73 HydrophobicContact CE2-CD1 4.15Å; F70-F73 HydrophobicContact CE2-CE1 4.47Å; F70-F73 WeakPolarHBondContact O-CA 3.46Å; F70-F73 WeakPolarHBondContact O-CB 3.26Å; F70-F73 PolarHBondContact O-N 3.44Å; F70-F73 VanDerWaalsContact O-N 3.16Å; F70-L74 HydrophobicContact CD1-CD1 3.98Å; F70-L74 HydrophobicContact CD1-CG 4.36Å; F70-L74 HydrophobicContact CD2-CG 4.47Å; F70-L74 HydrophobicContact CE1-CD1 3.65Å; F70-L74 HydrophobicContact CE1-CD2 4.21Å; F70-L74 HydrophobicContact CE1-CG 4.13Å; F70-L74 HydrophobicContact CE2-CD2 3.85Å; F70-L74 HydrophobicContact CE2-CG 4.24Å; F70-L74 HydrophobicContact CZ-CD1 4.01Å; F70-L74 HydrophobicContact CZ-CD2 3.69Å; F70-L74 HydrophobicContact CZ-CG 4.07Å; F70-L74 WeakPolarHBondContact O-CG 3.38Å; F70-L74 PolarHBondContact O-N 3.41Å; F70-L158 HydrophobicContact CZ-CB 4.47Å; F70-F166 HydrophobicContact CB-CD2 4.48Å; F70-F166 HydrophobicContact CB-CE2 4.23Å; F70-F166 HydrophobicContact CB-CZ 4.31Å; F70-F166 HydrophobicContact CD2-CB 3.77Å; F70-F166 AromaticContact CD2-CD1 3.97Å; F70-F166 HydrophobicContact CD2-CD1 3.97Å; F70-F166 AromaticContact CD2-CD2 3.82Å; F70-F166 HydrophobicContact CD2-CD2 3.82Å; F70-F166 HydrophobicContact CD2-CE2 4.37Å; F70-F166 AromaticContact CD2-CG 3.58Å; F70-F166 HydrophobicContact CD2-CG 3.58Å; F70-F166 HydrophobicContact CE2-CB 3.84Å; F70-F166 HydrophobicContact CE2-CG 4.16Å
71	R	96.6	Very high	95.5	Very high	117 Å²	117	50 Å²	50	44%	0.442	24%	0.243	S	C	.	.	H	α-helix	trans	-60.4	-44	175.1	-166.7	-176.4	74.4	156	1.5	112.2	R67 R68 F73 L74 A75 E88	R67-R71 WeakPolarHBondContact O-CB 3.41Å; R67-R71 PolarHBondContact O-N 2.96Å; R68-R71 PolarHBondContact O-N 3.36Å; R71-F73 VanDerWaalsContact C-N 3.27Å; R71-F73 PolarHBondContact O-N 3.15Å; R71-L74 PolarHBondContact O-N 3.39Å; R71-A75 PolarHBondContact O-N 2.89Å; R71-E88 IonicContact NH1-OE1 3.68Å
72	D	96.4	Very high	95.5	Very high	50 Å²	50	51.7 Å²	51.7	27%	0.267	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-37.7	176.8	-64.8	-15.7	0	0	0	110.9	R68 L69 F70 A75 T76 F171	R68-D72 IonicContact NE-OD1 2.71Å; R68-D72 IonicContact NE-OD2 3.68Å; R68-D72 VanDerWaalsContact O-CG 3.23Å; R68-D72 PolarHBondContact O-N 3.4Å; L69-D72 PolarHBondContact O-N 2.98Å; F70-D72 VanDerWaalsContact C-N 3.35Å; F70-D72 PolarHBondContact O-N 3.33Å; D72-A75 PolarHBondContact O-N 3.04Å; D72-T76 WeakPolarHBondContact O-CG2 3.48Å; D72-F171 HydrophobicContact CB-CD1 4.33Å; D72-F171 HydrophobicContact CB-CE1 3.98Å
73	F	97.7	Very high	95.4	Very high	15 Å²	15	47.4 Å²	47.4	7%	0.066	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-49.6	171.5	165.2	-101.4	0	0	0	112.5	L69 F70 R71 A75 T76 F80 P162 D165 F166 F171	L69-F73 WeakPolarHBondContact O-CB 3.45Å; L69-F73 PolarHBondContact O-N 3.37Å; F70-F73 HydrophobicContact CD2-CD1 4.11Å; F70-F73 HydrophobicContact CE2-CD1 4.15Å; F70-F73 HydrophobicContact CE2-CE1 4.47Å; F70-F73 WeakPolarHBondContact O-CA 3.46Å; F70-F73 WeakPolarHBondContact O-CB 3.26Å; F70-F73 PolarHBondContact O-N 3.44Å; F70-F73 VanDerWaalsContact O-N 3.16Å; R71-F73 VanDerWaalsContact C-N 3.27Å; R71-F73 PolarHBondContact O-N 3.15Å; F73-A75 PolarHBondContact O-N 2.93Å; F73-T76 WeakPolarHBondContact O-CB 3.3Å; F73-T76 PolarHBondContact O-N 3.48Å; F73-T76 PolarHBondContact O-OG1 2.93Å; F73-F80 AromaticContact CE1-CD2 3.91Å; F73-F80 HydrophobicContact CE1-CD2 3.91Å; F73-F80 AromaticContact CE1-CE2 3.92Å; F73-F80 HydrophobicContact CE1-CE2 3.92Å; F73-F80 HydrophobicContact CZ-CD2 4.13Å; F73-F80 AromaticContact CZ-CE2 3.81Å; F73-F80 HydrophobicContact CZ-CE2 3.81Å; F73-P162 VanDerWaalsContact CE1-O 3.29Å; F73-P162 WeakPolarHBondContact CE1-O 3.49Å; F73-D165 HydrophobicContact CE1-CB 4.41Å; F73-D165 HydrophobicContact CZ-CB 3.66Å; F73-F166 HydrophobicContact CB-CD2 3.93Å; F73-F166 HydrophobicContact CD1-CB 3.78Å; F73-F166 HydrophobicContact CD1-CD2 4.07Å; F73-F166 HydrophobicContact CD1-CG 4.38Å; F73-F166 HydrophobicContact CE1-CB 3.8Å; F73-F166 HydrophobicContact CG-CB 4.34Å; F73-F166 AromaticContact CG-CD2 3.97Å; F73-F166 HydrophobicContact CG-CD2 3.97Å; F73-F166 HydrophobicContact CZ-CB 4.38Å; F73-F171 HydrophobicContact CB-CB 4.21Å; F73-F171 HydrophobicContact CB-CD1 4.31Å; F73-F171 HydrophobicContact CB-CD2 3.77Å; F73-F171 HydrophobicContact CB-CE2 4.17Å; F73-F171 HydrophobicContact CB-CG 3.85Å; F73-F171 AromaticContact CD2-CD2 3.78Å; F73-F171 HydrophobicContact CD2-CD2 3.78Å; F73-F171 HydrophobicContact CD2-CE2 4.1Å; F73-F171 HydrophobicContact CG-CD2 4.25Å
74	L	96.4	Very high	95.2	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-35.4	178.3	-63.7	178.9	0	0	0	111.2	F70 R71 T76 V77 F80 R81 A84 L158 P162	F70-L74 HydrophobicContact CD1-CD1 3.98Å; F70-L74 HydrophobicContact CD1-CG 4.36Å; F70-L74 HydrophobicContact CD2-CG 4.47Å; F70-L74 HydrophobicContact CE1-CD1 3.65Å; F70-L74 HydrophobicContact CE1-CD2 4.21Å; F70-L74 HydrophobicContact CE1-CG 4.13Å; F70-L74 HydrophobicContact CE2-CD2 3.85Å; F70-L74 HydrophobicContact CE2-CG 4.24Å; F70-L74 HydrophobicContact CZ-CD1 4.01Å; F70-L74 HydrophobicContact CZ-CD2 3.69Å; F70-L74 HydrophobicContact CZ-CG 4.07Å; F70-L74 WeakPolarHBondContact O-CG 3.38Å; F70-L74 PolarHBondContact O-N 3.41Å; R71-L74 PolarHBondContact O-N 3.39Å; L74-T76 PolarHBondContact O-N 3.3Å; L74-V77 PolarHBondContact O-N 2.87Å; L74-F80 HydrophobicContact CB-CB 4.03Å; L74-F80 HydrophobicContact CD2-CB 3.67Å; L74-F80 HydrophobicContact CD2-CD2 4.03Å; L74-F80 HydrophobicContact CD2-CG 4.03Å; L74-F80 HydrophobicContact CG-CB 4.43Å; L74-R81 PolarHBondContact O-N 3.33Å; L74-A84 HydrophobicContact CB-CB 4.46Å; L74-A84 HydrophobicContact CD1-CB 3.92Å; L74-L158 HydrophobicContact CD1-CD1 4.04Å; L74-L158 HydrophobicContact CD1-CD2 3.94Å; L74-L158 HydrophobicContact CD2-CD2 3.81Å; L74-P162 HydrophobicContact CD2-CB 3.98Å
75	A	95.9	Very high	95	Very high	41 Å²	41	50 Å²	50	34%	0.339	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.6	176.4	0	0	0	0	0	113.3	R71 D72 F73 R81	R71-A75 PolarHBondContact O-N 2.89Å; D72-A75 PolarHBondContact O-N 3.04Å; F73-A75 PolarHBondContact O-N 2.93Å; A75-R81 VanDerWaalsContact O-CZ 3.3Å; A75-R81 PolarHBondContact O-NE 3.39Å; A75-R81 VanDerWaalsContact O-NE 3.1Å; A75-R81 PolarHBondContact O-NH2 3.43Å
76	T	96.3	Very high	94.8	Very high	81 Å²	81	50.7 Å²	50.7	50%	0.497	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.8	179.1	69.4	0	0	0	0	114.1	D72 F73 L74 F171	D72-T76 WeakPolarHBondContact O-CG2 3.48Å; F73-T76 WeakPolarHBondContact O-CB 3.3Å; F73-T76 PolarHBondContact O-N 3.48Å; F73-T76 PolarHBondContact O-OG1 2.93Å; L74-T76 PolarHBondContact O-N 3.3Å; T76-F171 HydrophobicContact CG2-CE2 4.01Å; T76-F171 HydrophobicContact CG2-CZ 3.72Å
77	V	93.8	Very high	94.6	Very high	43 Å²	43	51.7 Å²	51.7	26%	0.261	26%	0.257	S	S	.	.	S	Bend	trans	-117.9	120.1	-176.7	179	0	0	0	0	109	L74 T79 F80 R81	L74-V77 PolarHBondContact O-N 2.87Å; V77-T79 PolarHBondContact O-N 3.11Å; V77-F80 HydrophobicContact CB-CB 4.03Å; V77-F80 HydrophobicContact CB-CD2 3.49Å; V77-F80 VanDerWaalsContact CB-CD2 3.49Å; V77-F80 HydrophobicContact CB-CE2 4Å; V77-F80 HydrophobicContact CB-CG 3.8Å; V77-F80 HydrophobicContact CG1-CB 4.34Å; V77-F80 HydrophobicContact CG1-CD1 4.08Å; V77-F80 HydrophobicContact CG1-CD2 3.79Å; V77-F80 HydrophobicContact CG1-CE1 4.27Å; V77-F80 HydrophobicContact CG1-CE2 4Å; V77-F80 HydrophobicContact CG1-CG 3.82Å; V77-F80 HydrophobicContact CG1-CZ 4.24Å; V77-F80 HydrophobicContact CG2-CD2 3.8Å; V77-F80 HydrophobicContact CG2-CE2 3.93Å; V77-F80 PolarHBondContact O-N 3.34Å; V77-F80 VanDerWaalsContact O-N 3.1Å; V77-R81 PolarHBondContact O-N 3.45Å
78	P	91	Very high	94.4	Very high	87 Å²	87	48.7 Å²	48.7	57%	0.565	25%	0.249	S	C	*	.	H	α-helix	trans	-53.1	-46.1	-173.8	-30.1	35.9	0	0	0	114.9	F80 R81 E82	P78-F80 VanDerWaalsContact C-N 3.32Å; P78-F80 PolarHBondContact O-N 3.01Å; P78-R81 WeakPolarHBondContact O-CB 3.36Å; P78-R81 PolarHBondContact O-N 3.26Å; P78-E82 WeakPolarHBondContact O-CG 3.38Å; P78-E82 PolarHBondContact O-N 3.08Å
79	T	89.9	Confident	94.3	Very high	56 Å²	56	48.7 Å²	48.7	34%	0.344	25%	0.254	S	S	.	.	H	α-helix	trans	-65.4	-33.8	-179.5	51.5	0	0	0	0	113	V77 A83 P124	V77-T79 PolarHBondContact O-N 3.11Å; T79-A83 PolarHBondContact O-N 3.25Å; T79-P124 HydrophobicContact CG2-CB 3.87Å
80	F	93.6	Very high	94.1	Very high	16 Å²	16	48.4 Å²	48.4	7%	0.07	25%	0.253	C	S	.	.	H	α-helix	trans	-73.8	-39.1	177	-64.6	-3.6	0	0	0	111.2	F73 L74 V77 P78 E82 A83 A84 F157 P162	F73-F80 AromaticContact CE1-CD2 3.91Å; F73-F80 HydrophobicContact CE1-CD2 3.91Å; F73-F80 AromaticContact CE1-CE2 3.92Å; F73-F80 HydrophobicContact CE1-CE2 3.92Å; F73-F80 HydrophobicContact CZ-CD2 4.13Å; F73-F80 AromaticContact CZ-CE2 3.81Å; F73-F80 HydrophobicContact CZ-CE2 3.81Å; L74-F80 HydrophobicContact CB-CB 4.03Å; L74-F80 HydrophobicContact CD2-CB 3.67Å; L74-F80 HydrophobicContact CD2-CD2 4.03Å; L74-F80 HydrophobicContact CD2-CG 4.03Å; L74-F80 HydrophobicContact CG-CB 4.43Å; V77-F80 HydrophobicContact CB-CB 4.03Å; V77-F80 HydrophobicContact CB-CD2 3.49Å; V77-F80 VanDerWaalsContact CB-CD2 3.49Å; V77-F80 HydrophobicContact CB-CE2 4Å; V77-F80 HydrophobicContact CB-CG 3.8Å; V77-F80 HydrophobicContact CG1-CB 4.34Å; V77-F80 HydrophobicContact CG1-CD1 4.08Å; V77-F80 HydrophobicContact CG1-CD2 3.79Å; V77-F80 HydrophobicContact CG1-CE1 4.27Å; V77-F80 HydrophobicContact CG1-CE2 4Å; V77-F80 HydrophobicContact CG1-CG 3.82Å; V77-F80 HydrophobicContact CG1-CZ 4.24Å; V77-F80 HydrophobicContact CG2-CD2 3.8Å; V77-F80 HydrophobicContact CG2-CE2 3.93Å; V77-F80 PolarHBondContact O-N 3.34Å; V77-F80 VanDerWaalsContact O-N 3.1Å; P78-F80 VanDerWaalsContact C-N 3.32Å; P78-F80 PolarHBondContact O-N 3.01Å; F80-E82 VanDerWaalsContact C-N 3.34Å; F80-A83 PolarHBondContact O-N 3.31Å; F80-A84 PolarHBondContact O-N 3.11Å; F80-F157 AromaticContact CD1-CE1 3.99Å; F80-F157 HydrophobicContact CD1-CE1 3.99Å; F80-F157 AromaticContact CD1-CZ 3.86Å; F80-F157 HydrophobicContact CD1-CZ 3.86Å; F80-F157 HydrophobicContact CE1-CE1 4.47Å; F80-F157 AromaticContact CE1-CZ 3.96Å; F80-F157 HydrophobicContact CE1-CZ 3.96Å; F80-P162 HydrophobicContact CD1-CB 4.12Å; F80-P162 HydrophobicContact CD1-CG 3.77Å; F80-P162 HydrophobicContact CD2-CB 4.11Å; F80-P162 HydrophobicContact CE1-CB 4.04Å; F80-P162 HydrophobicContact CE1-CG 3.57Å; F80-P162 HydrophobicContact CE2-CB 4.02Å; F80-P162 HydrophobicContact CE2-CG 4.45Å; F80-P162 HydrophobicContact CG-CB 4.18Å; F80-P162 HydrophobicContact CG-CG 4.32Å; F80-P162 HydrophobicContact CZ-CB 3.98Å; F80-P162 HydrophobicContact CZ-CG 3.94Å
81	R	93.1	Very high	93.9	Very high	136 Å²	136	53 Å²	53	51%	0.513	27%	0.274	S	S	.	.	H	α-helix	trans	-60.8	-42.3	174.6	-171.9	-168.4	-62.4	-177.8	-1.4	111.6	L74 A75 V77 P78 A84 T85	L74-R81 PolarHBondContact O-N 3.33Å; A75-R81 VanDerWaalsContact O-CZ 3.3Å; A75-R81 PolarHBondContact O-NE 3.39Å; A75-R81 VanDerWaalsContact O-NE 3.1Å; A75-R81 PolarHBondContact O-NH2 3.43Å; V77-R81 PolarHBondContact O-N 3.45Å; P78-R81 WeakPolarHBondContact O-CB 3.36Å; P78-R81 PolarHBondContact O-N 3.26Å; R81-A84 PolarHBondContact O-N 3.02Å; R81-T85 WeakPolarHBondContact O-CB 3.45Å; R81-T85 PolarHBondContact O-N 3.43Å; R81-T85 PolarHBondContact O-OG1 2.84Å
82	E	91.2	Very high	93.7	Very high	99 Å²	99	52.3 Å²	52.3	46%	0.463	28%	0.28	S	S	.	.	H	α-helix	trans	-60.1	-45.6	176.5	-74.1	170.3	-169	0	0	111.8	P78 F80 T85 F86 P124 F125	P78-E82 WeakPolarHBondContact O-CG 3.38Å; P78-E82 PolarHBondContact O-N 3.08Å; F80-E82 VanDerWaalsContact C-N 3.34Å; E82-T85 PolarHBondContact O-N 3.21Å; E82-F86 WeakPolarHBondContact O-CB 3.43Å; E82-F86 PolarHBondContact O-N 2.77Å; E82-P124 WeakPolarHBondContact OE2-CG 3.39Å; E82-F125 HydrophobicContact CB-CE1 3.87Å; E82-F125 HydrophobicContact CB-CZ 4.35Å
83	A	92	Very high	93.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-43.8	176.3	0	0	0	0	0	112.4	T79 F80 F86 L87 F125 F157 L158	T79-A83 PolarHBondContact O-N 3.25Å; F80-A83 PolarHBondContact O-N 3.31Å; A83-F86 PolarHBondContact O-N 2.98Å; A83-L87 WeakPolarHBondContact O-CG 3.26Å; A83-L87 PolarHBondContact O-N 2.72Å; A83-L87 VanDerWaalsContact O-N 3.15Å; A83-F125 VanDerWaalsContact CA-CZ 3.47Å; A83-F125 HydrophobicContact CB-CD1 3.69Å; A83-F125 HydrophobicContact CB-CD2 4.3Å; A83-F125 HydrophobicContact CB-CE1 3.69Å; A83-F125 HydrophobicContact CB-CE2 4.27Å; A83-F125 HydrophobicContact CB-CG 4.02Å; A83-F125 HydrophobicContact CB-CZ 3.99Å; A83-F125 VanDerWaalsContact N-CE1 3.34Å; A83-F157 HydrophobicContact CB-CD1 3.88Å; A83-F157 HydrophobicContact CB-CE1 3.98Å; A83-L158 HydrophobicContact CB-CD2 3.98Å; A83-L158 HydrophobicContact CB-CG 4.37Å
84	A	93.3	Very high	93.3	Very high	15 Å²	15	53.4 Å²	53.4	12%	0.124	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-44.9	177.3	0	0	0	0	0	112.1	L74 F80 R81 F86 L87 E88	L74-A84 HydrophobicContact CB-CB 4.46Å; L74-A84 HydrophobicContact CD1-CB 3.92Å; F80-A84 PolarHBondContact O-N 3.11Å; R81-A84 PolarHBondContact O-N 3.02Å; A84-F86 VanDerWaalsContact C-N 3.34Å; A84-F86 PolarHBondContact O-N 3.11Å; A84-L87 PolarHBondContact O-N 3.11Å; A84-E88 PolarHBondContact O-N 2.67Å
85	T	92.6	Very high	93.1	Very high	61 Å²	61	54.8 Å²	54.8	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-43.7	179.4	-52.8	0	0	0	0	110.6	R81 E82 L87 E88 D89	R81-T85 WeakPolarHBondContact O-CB 3.45Å; R81-T85 PolarHBondContact O-N 3.43Å; R81-T85 PolarHBondContact O-OG1 2.84Å; E82-T85 PolarHBondContact O-N 3.21Å; T85-L87 VanDerWaalsContact C-N 3.33Å; T85-L87 PolarHBondContact O-N 2.99Å; T85-E88 PolarHBondContact O-N 3.1Å; T85-D89 PolarHBondContact O-N 2.82Å
86	F	93	Very high	92.9	Very high	14 Å²	14	54.1 Å²	54.1	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-57.8	-44.6	175.1	174	-98.4	0	0	0	112.2	E82 A83 A84 D89 V90 L109 C113 F125 F126 A150 A154	E82-F86 WeakPolarHBondContact O-CB 3.43Å; E82-F86 PolarHBondContact O-N 2.77Å; A83-F86 PolarHBondContact O-N 2.98Å; A84-F86 VanDerWaalsContact C-N 3.34Å; A84-F86 PolarHBondContact O-N 3.11Å; F86-D89 PolarHBondContact O-N 3.41Å; F86-V90 HydrophobicContact CD1-CG2 4.28Å; F86-V90 HydrophobicContact CD2-CG2 4.49Å; F86-V90 HydrophobicContact CE1-CG2 3.76Å; F86-V90 HydrophobicContact CE2-CG2 3.99Å; F86-V90 HydrophobicContact CZ-CG2 3.59Å; F86-V90 WeakPolarHBondContact O-CG2 3.31Å; F86-V90 PolarHBondContact O-N 3.21Å; F86-L109 HydrophobicContact CD2-CD2 4.11Å; F86-L109 HydrophobicContact CE2-CD2 3.87Å; F86-C113 WeakPolarHBondContact CE2-SG 3.28Å; F86-F125 HydrophobicContact CB-CZ 4.5Å; F86-F126 HydrophobicContact CD1-CE1 4.42Å; F86-F126 AromaticContact CD1-CZ 3.84Å; F86-F126 HydrophobicContact CD1-CZ 3.84Å; F86-F126 HydrophobicContact CD2-CZ 4.06Å; F86-F126 HydrophobicContact CE1-CE1 4.04Å; F86-F126 AromaticContact CE1-CZ 3.64Å; F86-F126 HydrophobicContact CE1-CZ 3.64Å; F86-F126 HydrophobicContact CE2-CE2 4.49Å; F86-F126 AromaticContact CE2-CZ 3.87Å; F86-F126 HydrophobicContact CE2-CZ 3.87Å; F86-F126 HydrophobicContact CG-CZ 4.04Å; F86-F126 HydrophobicContact CZ-CE1 4.3Å; F86-F126 AromaticContact CZ-CZ 3.66Å; F86-F126 HydrophobicContact CZ-CZ 3.66Å; F86-A150 HydrophobicContact CE1-CB 4.09Å; F86-A150 HydrophobicContact CZ-CB 3.69Å; F86-A154 HydrophobicContact CD1-CB 3.85Å; F86-A154 HydrophobicContact CE1-CB 4.15Å
87	L	94	Very high	92.5	Very high	22 Å²	22	56.5 Å²	56.5	12%	0.115	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-38.3	177.8	-70.1	173.5	0	0	0	112.5	A83 A84 T85 V90 Q91 K151 A154 M155 L158	A83-L87 WeakPolarHBondContact O-CG 3.26Å; A83-L87 PolarHBondContact O-N 2.72Å; A83-L87 VanDerWaalsContact O-N 3.15Å; A84-L87 PolarHBondContact O-N 3.11Å; T85-L87 VanDerWaalsContact C-N 3.33Å; T85-L87 PolarHBondContact O-N 2.99Å; L87-V90 PolarHBondContact O-N 3.15Å; L87-Q91 WeakPolarHBondContact O-CB 3.14Å; L87-Q91 PolarHBondContact O-N 3.32Å; L87-K151 HydrophobicContact CD2-CB 4.44Å; L87-K151 HydrophobicContact CD2-CG 3.8Å; L87-A154 HydrophobicContact CD2-CB 3.93Å; L87-A154 HydrophobicContact CG-CB 4.15Å; L87-M155 HydrophobicContact CD1-CE 4.08Å; L87-L158 HydrophobicContact CD1-CD1 3.53Å
88	E	93.2	Very high	92.2	Very high	76 Å²	76	60.4 Å²	60.4	36%	0.355	31%	0.309	S	S	.	.	H	α-helix	trans	-62.5	-43.6	173.1	-71.8	-177.3	175.6	0	0	111	R71 A84 T85 V90 Q91 N92	R71-E88 IonicContact NH1-OE1 3.68Å; A84-E88 PolarHBondContact O-N 2.67Å; T85-E88 PolarHBondContact O-N 3.1Å; E88-V90 PolarHBondContact O-N 3.19Å; E88-Q91 PolarHBondContact O-N 3.04Å; E88-N92 WeakPolarHBondContact O-CB 3.46Å; E88-N92 PolarHBondContact O-N 3.11Å; E88-N92 PolarHBondContact O-ND2 3.07Å; E88-N92 VanDerWaalsContact O-ND2 3.15Å
89	D	93.7	Very high	92.1	Very high	72 Å²	72	57.7 Å²	57.7	39%	0.385	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-40.9	177.3	-69.3	-26.6	0	0	0	112.3	T85 F86 N92 W93 L109	T85-D89 PolarHBondContact O-N 2.82Å; F86-D89 PolarHBondContact O-N 3.41Å; D89-N92 PolarHBondContact O-N 3.1Å; D89-W93 WeakPolarHBondContact O-CB 3.38Å; D89-W93 PolarHBondContact O-N 3.39Å; D89-L109 HydrophobicContact CB-CD2 3.77Å
90	V	94.2	Very high	92	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-44.4	174.2	173.6	0	0	0	0	110.9	F86 L87 E88 N92 W93 E94 L109 V147 K151	F86-V90 HydrophobicContact CD1-CG2 4.28Å; F86-V90 HydrophobicContact CD2-CG2 4.49Å; F86-V90 HydrophobicContact CE1-CG2 3.76Å; F86-V90 HydrophobicContact CE2-CG2 3.99Å; F86-V90 HydrophobicContact CZ-CG2 3.59Å; F86-V90 WeakPolarHBondContact O-CG2 3.31Å; F86-V90 PolarHBondContact O-N 3.21Å; L87-V90 PolarHBondContact O-N 3.15Å; E88-V90 PolarHBondContact O-N 3.19Å; V90-N92 PolarHBondContact O-N 3.22Å; V90-W93 HydrophobicContact CG1-CE3 4.34Å; V90-W93 WeakPolarHBondContact O-CB 3.48Å; V90-W93 PolarHBondContact O-N 3.44Å; V90-E94 HydrophobicContact CG1-CG 4.42Å; V90-E94 WeakPolarHBondContact O-CG 3.24Å; V90-E94 PolarHBondContact O-N 3.04Å; V90-L109 HydrophobicContact CG2-CD1 4.16Å; V90-L109 HydrophobicContact CG2-CD2 3.88Å; V90-V147 HydrophobicContact CB-CG1 4.47Å; V90-V147 HydrophobicContact CG1-CG1 3.92Å; V90-V147 HydrophobicContact CG2-CG1 3.77Å; V90-K151 HydrophobicContact CG1-CB 4.21Å; V90-K151 HydrophobicContact CG1-CD 3.87Å; V90-K151 HydrophobicContact CG1-CG 4.17Å
91	Q	93.1	Very high	91.7	Very high	105 Å²	105	64.9 Å²	64.9	49%	0.491	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-42.8	177.5	-176.2	177.9	9.4	0	0	111.6	L87 E88 W93 E94 L95	L87-Q91 WeakPolarHBondContact O-CB 3.14Å; L87-Q91 PolarHBondContact O-N 3.32Å; E88-Q91 PolarHBondContact O-N 3.04Å; Q91-W93 VanDerWaalsContact C-N 3.28Å; Q91-W93 PolarHBondContact O-N 3.5Å; Q91-E94 PolarHBondContact O-N 3.11Å; Q91-L95 HydrophobicContact CG-CD1 4.11Å; Q91-L95 WeakPolarHBondContact O-CG 3.22Å; Q91-L95 PolarHBondContact O-N 2.79Å; Q91-L95 VanDerWaalsContact O-N 3.07Å
92	N	92.9	Very high	91.6	Very high	103 Å²	103	60 Å²	60	55%	0.551	33%	0.327	S	S	*	.	H	α-helix	trans	-61.5	-38.7	176.3	-71.5	-31	0	0	0	111.7	E88 D89 V90 A96	E88-N92 WeakPolarHBondContact O-CB 3.46Å; E88-N92 PolarHBondContact O-N 3.11Å; E88-N92 PolarHBondContact O-ND2 3.07Å; E88-N92 VanDerWaalsContact O-ND2 3.15Å; D89-N92 PolarHBondContact O-N 3.1Å; V90-N92 PolarHBondContact O-N 3.22Å; N92-A96 WeakPolarHBondContact O-CB 3.45Å; N92-A96 PolarHBondContact O-N 3.31Å
93	W	93.8	Very high	91.4	Very high	18 Å²	18	58.6 Å²	58.6	7%	0.068	32%	0.322	C	S	.	.	H	α-helix	trans	-67.1	-45.1	174.5	166.4	69	0	0	0	112.9	D89 V90 Q91 L95 A96 K102 T105 L106 L109 V144 V147	D89-W93 WeakPolarHBondContact O-CB 3.38Å; D89-W93 PolarHBondContact O-N 3.39Å; V90-W93 HydrophobicContact CG1-CE3 4.34Å; V90-W93 WeakPolarHBondContact O-CB 3.48Å; V90-W93 PolarHBondContact O-N 3.44Å; Q91-W93 VanDerWaalsContact C-N 3.28Å; Q91-W93 PolarHBondContact O-N 3.5Å; W93-L95 PolarHBondContact O-N 3.43Å; W93-A96 WeakPolarHBondContact O-CB 3.43Å; W93-A96 PolarHBondContact O-N 2.97Å; W93-A96 VanDerWaalsContact O-N 3.14Å; W93-K102 PolarHBondContact NE1-O 2.63Å; W93-K102 WeakPolarHBondContact O-CE 3.4Å; W93-T105 HydrophobicContact CB-CG2 3.89Å; W93-T105 HydrophobicContact CG-CG2 4.45Å; W93-L106 HydrophobicContact CH2-CD1 4.1Å; W93-L106 HydrophobicContact CZ2-CD1 3.63Å; W93-L106 HydrophobicContact CZ2-CD2 4.08Å; W93-L106 HydrophobicContact CZ2-CG 4.27Å; W93-L109 HydrophobicContact CB-CD1 3.75Å; W93-L109 HydrophobicContact CD2-CD1 4.17Å; W93-L109 HydrophobicContact CE3-CD1 4.3Å; W93-L109 HydrophobicContact CG-CD1 3.92Å; W93-V144 HydrophobicContact CH2-CB 4.33Å; W93-V144 HydrophobicContact CH2-CG1 4.15Å; W93-V144 HydrophobicContact CH2-CG2 4Å; W93-V144 HydrophobicContact CZ2-CG2 3.9Å; W93-V147 HydrophobicContact CE3-CG1 4Å; W93-V147 HydrophobicContact CZ3-CB 4.33Å; W93-V147 HydrophobicContact CZ3-CG1 3.76Å
94	E	91.9	Very high	91.3	Very high	70 Å²	70	62.2 Å²	62.2	33%	0.327	35%	0.348	S	S	.	.	H	α-helix	trans	-57.6	-36.7	176.8	-74.8	173.6	164.6	0	0	111.6	V90 Q91 K151	V90-E94 HydrophobicContact CG1-CG 4.42Å; V90-E94 WeakPolarHBondContact O-CG 3.24Å; V90-E94 PolarHBondContact O-N 3.04Å; Q91-E94 PolarHBondContact O-N 3.11Å; E94-K151 IonicContact OE1-NZ 3.73Å; E94-K151 PolarHBondContact OE1-NZ 2.99Å; E94-K151 IonicContact OE2-NZ 2.72Å; E94-K151 PolarHBondContact OE2-NZ 2.9Å
95	L	92.8	Very high	91.2	Very high	36 Å²	36	64.1 Å²	64.1	19%	0.188	36%	0.358	C	S	.	.	H	α-helix	trans	-90.5	-7.1	-179.1	-63.5	178.3	0	0	0	114.1	Q91 W93 R461 A464 L466	Q91-L95 HydrophobicContact CG-CD1 4.11Å; Q91-L95 WeakPolarHBondContact O-CG 3.22Å; Q91-L95 PolarHBondContact O-N 2.79Å; Q91-L95 VanDerWaalsContact O-N 3.07Å; W93-L95 PolarHBondContact O-N 3.43Å; L95-R461 WeakPolarHBondContact O-CG 3.48Å; L95-R461 PolarHBondContact O-NH1 3.21Å; L95-A464 HydrophobicContact CD1-CB 3.9Å; L95-A464 HydrophobicContact CD2-CB 3.67Å; L95-A464 HydrophobicContact CG-CB 4.43Å; L95-L466 HydrophobicContact CB-CD1 3.88Å; L95-L466 HydrophobicContact CD1-CD1 4.13Å; L95-L466 HydrophobicContact CD2-CD1 4.49Å; L95-L466 HydrophobicContact CG-CD1 4.4Å
96	A	91.1	Very high	91.1	Very high	26 Å²	26	61.4 Å²	61.4	22%	0.215	34%	0.341	C	S	.	.	S	Bend	trans	-65.4	147.1	179.9	0	0	0	0	0	111.8	N92 W93 K102	N92-A96 WeakPolarHBondContact O-CB 3.45Å; N92-A96 PolarHBondContact O-N 3.31Å; W93-A96 WeakPolarHBondContact O-CB 3.43Å; W93-A96 PolarHBondContact O-N 2.97Å; W93-A96 VanDerWaalsContact O-N 3.14Å; A96-K102 HydrophobicContact CB-CB 4.18Å; A96-K102 HydrophobicContact CB-CD 4.16Å; A96-K102 HydrophobicContact CB-CG 4.03Å; A96-K102 PolarHBondContact O-NZ 2.74Å
97	E	88.8	Confident	91	Very high	131 Å²	131	65.6 Å²	65.6	61%	0.612	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-64.5	146.8	170.4	-65.1	-171.5	158	0	0	110.7	G99 K102 R461	E97-G99 PolarHBondContact O-N 2.93Å; E97-K102 WeakPolarHBondContact O-CB 3.32Å; E97-R461 VanDerWaalsContact CG-NH2 3.29Å; E97-R461 IonicContact OE1-CZ 2.63Å; E97-R461 IonicContact OE1-NE 2.73Å; E97-R461 IonicContact OE1-NH2 2.88Å; E97-R461 PolarHBondContact OE1-NH2 3.48Å
98	D	86.6	Confident	90.8	Very high	126 Å²	126	66.5 Å²	66.5	67%	0.674	38%	0.376	S	S	*	.	S	Bend	trans	-66.1	130.9	178.7	-58.7	-37.5	0	0	0	109.8	K102	D98-K102 IonicContact OD1-NZ 3.69Å; D98-K102 PolarHBondContact OD1-NZ 2.93Å
99	G	88.7	Confident	90.7	Very high	30 Å²	30	63.3 Å²	63.3	31%	0.309	36%	0.361	S	S	.	.	S	Bend	trans	155.9	178.9	-177.1	0	0	0	0	0	113.1	E97 T101 K102 D103	E97-G99 PolarHBondContact O-N 2.93Å; G99-T101 PolarHBondContact O-N 3.19Å; G99-T101 VanDerWaalsContact O-N 3.08Å; G99-K102 WeakPolarHBondContact O-CB 3.49Å; G99-K102 PolarHBondContact O-N 3.4Å; G99-D103 PolarHBondContact O-N 3.42Å
100	P	87.7	Confident	90.6	Very high	111 Å²	111	60.5 Å²	60.5	72%	0.721	35%	0.346	S	S	*	.	H	α-helix	trans	-58.4	-31	-170.8	-25.2	33.8	0	0	0	114.3	D103 S104	P100-D103 PolarHBondContact O-N 3.34Å; P100-S104 WeakPolarHBondContact O-CB 3.42Å; P100-S104 PolarHBondContact O-N 2.96Å
101	T	87.6	Confident	90.3	Very high	111 Å²	111	63.3 Å²	63.3	68%	0.681	37%	0.37	S	S	*	.	H	α-helix	trans	-64.8	-42.4	177.6	-51.4	0	0	0	0	111.4	G99 D103 S104 T105	G99-T101 PolarHBondContact O-N 3.19Å; G99-T101 VanDerWaalsContact O-N 3.08Å; T101-D103 VanDerWaalsContact C-N 3.31Å; T101-D103 PolarHBondContact O-N 2.93Å; T101-S104 PolarHBondContact O-N 3.49Å; T101-T105 PolarHBondContact O-N 3.18Å; T101-T105 PolarHBondContact O-OG1 3.4Å; T101-T105 VanDerWaalsContact O-OG1 3.04Å
102	K	90.6	Very high	89.9	Confident	34 Å²	34	60.5 Å²	60.5	15%	0.148	37%	0.365	C	S	.	.	H	α-helix	trans	-63.9	-39.9	178.5	-172.9	172.8	-174.4	169.1	0	111.2	W93 A96 E97 D98 G99 T105 L106	W93-K102 PolarHBondContact NE1-O 2.63Å; W93-K102 WeakPolarHBondContact O-CE 3.4Å; A96-K102 HydrophobicContact CB-CB 4.18Å; A96-K102 HydrophobicContact CB-CD 4.16Å; A96-K102 HydrophobicContact CB-CG 4.03Å; A96-K102 PolarHBondContact O-NZ 2.74Å; E97-K102 WeakPolarHBondContact O-CB 3.32Å; D98-K102 IonicContact OD1-NZ 3.69Å; D98-K102 PolarHBondContact OD1-NZ 2.93Å; G99-K102 WeakPolarHBondContact O-CB 3.49Å; G99-K102 PolarHBondContact O-N 3.4Å; K102-T105 PolarHBondContact O-N 2.9Å; K102-L106 WeakPolarHBondContact O-CB 3.5Å; K102-L106 PolarHBondContact O-N 2.89Å
103	D	88.4	Confident	89.6	Confident	69 Å²	69	55.7 Å²	55.7	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-66.4	-41.1	176.3	-59.4	-23.1	0	0	0	112	G99 P100 T101 L106 Q107	G99-D103 PolarHBondContact O-N 3.42Å; P100-D103 PolarHBondContact O-N 3.34Å; T101-D103 VanDerWaalsContact C-N 3.31Å; T101-D103 PolarHBondContact O-N 2.93Å; D103-L106 PolarHBondContact O-N 3.49Å; D103-Q107 WeakPolarHBondContact O-CG 3.43Å; D103-Q107 PolarHBondContact O-N 2.84Å
104	S	88.9	Confident	89	Confident	76 Å²	76	55.8 Å²	55.8	53%	0.531	34%	0.343	S	S	.	.	H	α-helix	trans	-64.9	-41.6	176	-172.9	0	0	0	0	111.6	P100 T101 Q107 G108	P100-S104 WeakPolarHBondContact O-CB 3.42Å; P100-S104 PolarHBondContact O-N 2.96Å; T101-S104 PolarHBondContact O-N 3.49Å; S104-Q107 PolarHBondContact O-N 3.06Å; S104-G108 PolarHBondContact O-N 3.13Å
105	T	91.1	Very high	88.1	Confident	55 Å²	55	56.6 Å²	56.6	34%	0.337	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-42.3	176	-57	0	0	0	0	111.1	W93 T101 K102 Q107 G108 L109	W93-T105 HydrophobicContact CB-CG2 3.89Å; W93-T105 HydrophobicContact CG-CG2 4.45Å; T101-T105 PolarHBondContact O-N 3.18Å; T101-T105 PolarHBondContact O-OG1 3.4Å; T101-T105 VanDerWaalsContact O-OG1 3.04Å; K102-T105 PolarHBondContact O-N 2.9Å; T105-Q107 VanDerWaalsContact C-N 3.31Å; T105-Q107 PolarHBondContact O-N 2.72Å; T105-G108 PolarHBondContact O-N 3Å; T105-G108 VanDerWaalsContact O-N 3.15Å; T105-L109 HydrophobicContact CG2-CD1 4.25Å; T105-L109 HydrophobicContact CG2-CG 4.48Å; T105-L109 WeakPolarHBondContact O-CG 3.47Å; T105-L109 PolarHBondContact O-N 3.14Å
106	L	92.2	Very high	86.5	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-57.2	-44.7	174.4	179.9	54.5	0	0	0	111.7	W93 K102 D103 G108 L109 V110 E140 R143 V144 V147	W93-L106 HydrophobicContact CH2-CD1 4.1Å; W93-L106 HydrophobicContact CZ2-CD1 3.63Å; W93-L106 HydrophobicContact CZ2-CD2 4.08Å; W93-L106 HydrophobicContact CZ2-CG 4.27Å; K102-L106 WeakPolarHBondContact O-CB 3.5Å; K102-L106 PolarHBondContact O-N 2.89Å; D103-L106 PolarHBondContact O-N 3.49Å; L106-G108 VanDerWaalsContact C-N 3.35Å; L106-L109 PolarHBondContact O-N 3.4Å; L106-V110 HydrophobicContact CD1-CG2 4.3Å; L106-V110 VanDerWaalsContact O-CG2 3.3Å; L106-V110 WeakPolarHBondContact O-CG2 3.46Å; L106-V110 PolarHBondContact O-N 3.31Å; L106-E140 HydrophobicContact CD2-CG 4.27Å; L106-R143 HydrophobicContact CD1-CB 4.07Å; L106-R143 HydrophobicContact CD2-CB 3.94Å; L106-R143 HydrophobicContact CG-CB 3.99Å; L106-V144 HydrophobicContact CD2-CG2 4.06Å; L106-V147 HydrophobicContact CD1-CB 4.37Å; L106-V147 HydrophobicContact CD1-CG2 3.69Å
107	Q	89.8	Confident	84.8	Confident	102 Å²	102	56.5 Å²	56.5	48%	0.477	36%	0.359	S	S	.	.	H	α-helix	trans	-63.5	-40.8	176.5	-71.3	174.8	27.4	0	0	112.1	D103 S104 T105 V110 A111	D103-Q107 WeakPolarHBondContact O-CG 3.43Å; D103-Q107 PolarHBondContact O-N 2.84Å; S104-Q107 PolarHBondContact O-N 3.06Å; T105-Q107 VanDerWaalsContact C-N 3.31Å; T105-Q107 PolarHBondContact O-N 2.72Å; Q107-V110 PolarHBondContact O-N 3.26Å; Q107-A111 WeakPolarHBondContact O-CB 3.33Å; Q107-A111 PolarHBondContact O-N 3.45Å
108	G	90.1	Very high	83.3	Confident	42 Å²	42	53.1 Å²	53.1	43%	0.433	35%	0.354	S	S	.	.	H	α-helix	trans	-60.6	-45.6	174.5	0	0	0	0	0	112.8	S104 T105 L106 A111 A112	S104-G108 PolarHBondContact O-N 3.13Å; T105-G108 PolarHBondContact O-N 3Å; T105-G108 VanDerWaalsContact O-N 3.15Å; L106-G108 VanDerWaalsContact C-N 3.35Å; G108-A111 PolarHBondContact O-N 3.12Å; G108-A112 PolarHBondContact O-N 3.05Å
109	L	91.6	Very high	81.6	Confident	8 Å²	8	53.9 Å²	53.9	4%	0.042	37%	0.366	C	S	.	.	H	α-helix	trans	-61.3	-45.9	176.9	-72.9	169.6	0	0	0	111.8	F86 D89 V90 W93 T105 L106 A111 A112 C113 V147	F86-L109 HydrophobicContact CD2-CD2 4.11Å; F86-L109 HydrophobicContact CE2-CD2 3.87Å; D89-L109 HydrophobicContact CB-CD2 3.77Å; V90-L109 HydrophobicContact CG2-CD1 4.16Å; V90-L109 HydrophobicContact CG2-CD2 3.88Å; W93-L109 HydrophobicContact CB-CD1 3.75Å; W93-L109 HydrophobicContact CD2-CD1 4.17Å; W93-L109 HydrophobicContact CE3-CD1 4.3Å; W93-L109 HydrophobicContact CG-CD1 3.92Å; T105-L109 HydrophobicContact CG2-CD1 4.25Å; T105-L109 HydrophobicContact CG2-CG 4.48Å; T105-L109 WeakPolarHBondContact O-CG 3.47Å; T105-L109 PolarHBondContact O-N 3.14Å; L106-L109 PolarHBondContact O-N 3.4Å; L109-A111 VanDerWaalsContact C-N 3.34Å; L109-A111 PolarHBondContact O-N 3.4Å; L109-A112 PolarHBondContact O-N 3.3Å; L109-C113 PolarHBondContact O-N 3.42Å; L109-C113 VanDerWaalsContact O-N 3.11Å; L109-C113 PolarHBondContact O-SG 3.07Å; L109-V147 HydrophobicContact CB-CG2 3.93Å; L109-V147 HydrophobicContact CD1-CG1 4.2Å
110	V	90.8	Very high	80	Confident	13 Å²	13	56.5 Å²	56.5	8%	0.079	39%	0.393	C	S	.	.	H	α-helix	trans	-63.6	-41.5	177.2	173.3	0	0	0	0	111.1	L106 Q107 C113 A114 C134 R143 V147	L106-V110 HydrophobicContact CD1-CG2 4.3Å; L106-V110 VanDerWaalsContact O-CG2 3.3Å; L106-V110 WeakPolarHBondContact O-CG2 3.46Å; L106-V110 PolarHBondContact O-N 3.31Å; Q107-V110 PolarHBondContact O-N 3.26Å; V110-C113 PolarHBondContact O-N 3.49Å; V110-A114 VanDerWaalsContact O-CB 3.22Å; V110-A114 WeakPolarHBondContact O-CB 3.39Å; V110-A114 PolarHBondContact O-N 2.89Å; V110-C134 HydrophobicContact CG1-CB 4.1Å; V110-R143 HydrophobicContact CG2-CB 3.87Å; V110-R143 HydrophobicContact CG2-CG 3.99Å; V110-V147 HydrophobicContact CG2-CG2 3.8Å
111	A	87.6	Confident	78.7	Confident	60 Å²	60	56.8 Å²	56.8	50%	0.496	39%	0.389	S	S	.	.	H	α-helix	trans	-63.6	-40.6	177.1	0	0	0	0	0	112.2	Q107 G108 L109 A114 S115	Q107-A111 WeakPolarHBondContact O-CB 3.33Å; Q107-A111 PolarHBondContact O-N 3.45Å; G108-A111 PolarHBondContact O-N 3.12Å; L109-A111 VanDerWaalsContact C-N 3.34Å; L109-A111 PolarHBondContact O-N 3.4Å; A111-A114 PolarHBondContact O-N 3.38Å; A111-S115 PolarHBondContact O-N 3.33Å; A111-S115 VanDerWaalsContact O-N 3.08Å
112	A	86.1	Confident	77.5	Confident	46 Å²	46	56.3 Å²	56.3	38%	0.38	39%	0.387	S	S	.	.	H	α-helix	trans	-58.9	-48.2	174.7	0	0	0	0	0	111.1	G108 L109 A114 S115	G108-A112 PolarHBondContact O-N 3.05Å; L109-A112 PolarHBondContact O-N 3.3Å; A112-A114 VanDerWaalsContact C-N 3.33Å; A112-A114 PolarHBondContact O-N 2.96Å; A112-S115 PolarHBondContact O-N 3.46Å; A112-S115 PolarHBondContact O-OG 3.25Å
113	C	85.2	Confident	76.7	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.007	39%	0.389	C	S	.	.	H	α-helix	trans	-65.7	-33.5	176.5	-61.4	0	0	0	0	113.3	F86 L109 V110 S115 F126 C134	F86-C113 WeakPolarHBondContact CE2-SG 3.28Å; L109-C113 PolarHBondContact O-N 3.42Å; L109-C113 VanDerWaalsContact O-N 3.11Å; L109-C113 PolarHBondContact O-SG 3.07Å; V110-C113 PolarHBondContact O-N 3.49Å; C113-S115 VanDerWaalsContact C-N 3.33Å; C113-F126 HydrophobicContact CB-CE2 4.32Å; C113-C134 HydrophobicContact CB-CB 4.08Å; C113-C134 WeakPolarHBondContact CB-SG 3.44Å
114	A	81.1	Confident	75.9	Confident	20 Å²	20	55.6 Å²	55.6	17%	0.165	39%	0.386	C	S	.	.	H	α-helix	trans	-76	-19.5	-178.3	0	0	0	0	0	113.5	V110 A111 A112 G116 C134 Q135	V110-A114 VanDerWaalsContact O-CB 3.22Å; V110-A114 WeakPolarHBondContact O-CB 3.39Å; V110-A114 PolarHBondContact O-N 2.89Å; A111-A114 PolarHBondContact O-N 3.38Å; A112-A114 VanDerWaalsContact C-N 3.33Å; A112-A114 PolarHBondContact O-N 2.96Å; A114-G116 PolarHBondContact O-N 2.88Å; A114-G116 VanDerWaalsContact O-N 3.11Å; A114-C134 HydrophobicContact CB-CB 3.97Å; A114-Q135 HydrophobicContact CB-CG 3.9Å; A114-Q135 PolarHBondContact O-NE2 3.39Å
115	S	73.3	Confident	75.7	Confident	88 Å²	88	52.9 Å²	52.9	62%	0.615	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.9	-174.8	67.5	0	0	0	0	114.1	A111 A112 C113	A111-S115 PolarHBondContact O-N 3.33Å; A111-S115 VanDerWaalsContact O-N 3.08Å; A112-S115 PolarHBondContact O-N 3.46Å; A112-S115 PolarHBondContact O-OG 3.25Å; C113-S115 VanDerWaalsContact C-N 3.33Å
116	G	58.9	Low	75.5	Confident	18 Å²	18	51.2 Å²	51.2	19%	0.186	35%	0.353	C	S	.	.			trans	61.4	162	162.9	0	0	0	0	0	115.8	A114 A118	A114-G116 PolarHBondContact O-N 2.88Å; A114-G116 VanDerWaalsContact O-N 3.11Å; G116-A118 PolarHBondContact O-N 2.97Å
117	P	56.1	Low	75.2	Confident	41 Å²	41	53 Å²	53	27%	0.266	37%	0.366	S	S	.	.			trans	-63.8	127.1	170.4	27.3	-33.9	0	0	0	110.5	N121	P117-N121 WeakPolarHBondContact CA-O 3.04Å
118	A	56.3	Low	74.9	Confident	61 Å²	61	53.5 Å²	53.5	50%	0.504	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-67	151.3	168.9	0	0	0	0	0	109.7	G116 G120 N121	G116-A118 PolarHBondContact O-N 2.97Å; A118-G120 PolarHBondContact O-N 2.99Å; A118-N121 PolarHBondContact N-O 3.46Å; A118-N121 VanDerWaalsContact N-O 3.16Å; A118-N121 PolarHBondContact O-N 2.91Å
119	P	52	Low	74.7	Confident	142 Å²	142	54.9 Å²	54.9	92%	0.922	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	108.2	174.5	-12.3	21	0	0	0	110
120	G	55.6	Low	74.5	Confident	85 Å²	85	54.6 Å²	54.6	88%	0.876	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	101	-3.6	-176.5	0	0	0	0	0	116.4	A118	A118-G120 PolarHBondContact O-N 2.99Å
121	N	59.5	Low	74.1	Confident	117 Å²	117	54 Å²	54	63%	0.626	37%	0.371	S	S	*	.	B	Isolated β-bridge	trans	-139.4	96.3	174.2	-164.3	19.6	0	0	0	111.3	P117 A118	P117-N121 WeakPolarHBondContact CA-O 3.04Å; A118-N121 PolarHBondContact N-O 3.46Å; A118-N121 VanDerWaalsContact N-O 3.16Å; A118-N121 PolarHBondContact O-N 2.91Å
122	P	63	Low	74.1	Confident	100 Å²	100	54.8 Å²	54.8	65%	0.649	37%	0.369	S	S	*	.			trans	-63.9	142.6	-179.7	24.6	-30.7	0	0	0	112
123	H	72.9	Confident	74.1	Confident	42 Å²	42	56.9 Å²	56.9	19%	0.194	37%	0.37	C	S	.	.			trans	-62.6	134	173.6	-169	-79.1	0	0	0	108.2	F125 F126	H123-F125 AromaticContact CE1-CE1 3.93Å; H123-F125 AromaticContact CE1-CE2 3.85Å; H123-F125 AromaticContact CE1-CZ 3.71Å; H123-F125 PolarHBondContact O-N 3.15Å; H123-F125 VanDerWaalsContact O-N 3.11Å; H123-F126 AromaticContact CE1-CD2 3.08Å; H123-F126 WeakPolarHBondContact CE1-CD2 3.49Å; H123-F126 AromaticContact CE1-CE2 3.63Å; H123-F126 AromaticContact CE1-CG 3.83Å; H123-F126 AromaticContact ND1-CD2 3.4Å; H123-F126 WeakPolarHBondContact ND1-CD2 3.5Å; H123-F126 AromaticContact ND1-CG 3.72Å; H123-F126 PolarHBondContact ND1-N 2.95Å; H123-F126 AromaticContact NE2-CD2 3.61Å
124	P	72.6	Confident	74.2	Confident	46 Å²	46	57 Å²	57	30%	0.299	37%	0.371	S	S	.	.	S	Bend	trans	-62.4	-26.1	-165.9	17.9	-30.7	0	0	0	114.9	T79 E82 F157	T79-P124 HydrophobicContact CG2-CB 3.87Å; E82-P124 WeakPolarHBondContact OE2-CG 3.39Å; P124-F157 WeakPolarHBondContact O-CE2 3.38Å
125	F	84.2	Confident	74.5	Confident	20 Å²	20	62 Å²	62	9%	0.088	39%	0.391	C	S	.	.	S	Bend	trans	-149.3	9	-175.1	54.2	-94	0	0	0	116.2	E82 A83 F86 H123 A154 F157	E82-F125 HydrophobicContact CB-CE1 3.87Å; E82-F125 HydrophobicContact CB-CZ 4.35Å; A83-F125 VanDerWaalsContact CA-CZ 3.47Å; A83-F125 HydrophobicContact CB-CD1 3.69Å; A83-F125 HydrophobicContact CB-CD2 4.3Å; A83-F125 HydrophobicContact CB-CE1 3.69Å; A83-F125 HydrophobicContact CB-CE2 4.27Å; A83-F125 HydrophobicContact CB-CG 4.02Å; A83-F125 HydrophobicContact CB-CZ 3.99Å; A83-F125 VanDerWaalsContact N-CE1 3.34Å; F86-F125 HydrophobicContact CB-CZ 4.5Å; H123-F125 AromaticContact CE1-CE1 3.93Å; H123-F125 AromaticContact CE1-CE2 3.85Å; H123-F125 AromaticContact CE1-CZ 3.71Å; H123-F125 PolarHBondContact O-N 3.15Å; H123-F125 VanDerWaalsContact O-N 3.11Å; F125-A154 HydrophobicContact CD2-CB 4.02Å; F125-A154 HydrophobicContact CE2-CB 4.23Å; F125-F157 HydrophobicContact CB-CB 3.65Å; F125-F157 HydrophobicContact CB-CD1 3.51Å; F125-F157 HydrophobicContact CB-CD2 3.71Å; F125-F157 HydrophobicContact CB-CE1 4.02Å; F125-F157 HydrophobicContact CB-CE2 4.2Å; F125-F157 HydrophobicContact CB-CG 3.33Å; F125-F157 HydrophobicContact CB-CZ 4.34Å; F125-F157 HydrophobicContact CD1-CD1 4.4Å; F125-F157 HydrophobicContact CD1-CE1 4.32Å; F125-F157 HydrophobicContact CG-CD1 4.15Å; F125-F157 HydrophobicContact CG-CE1 4.5Å; F125-F157 HydrophobicContact CG-CG 4.41Å
126	F	87	Confident	75.2	Confident	19 Å²	19	61.1 Å²	61.1	8%	0.083	39%	0.388	C	S	.	.			trans	-112.9	137.7	175.4	-69.8	-43.1	0	0	0	110.9	F86 C113 H123 M130 A150 E153 A154	F86-F126 HydrophobicContact CD1-CE1 4.42Å; F86-F126 AromaticContact CD1-CZ 3.84Å; F86-F126 HydrophobicContact CD1-CZ 3.84Å; F86-F126 HydrophobicContact CD2-CZ 4.06Å; F86-F126 HydrophobicContact CE1-CE1 4.04Å; F86-F126 AromaticContact CE1-CZ 3.64Å; F86-F126 HydrophobicContact CE1-CZ 3.64Å; F86-F126 HydrophobicContact CE2-CE2 4.49Å; F86-F126 AromaticContact CE2-CZ 3.87Å; F86-F126 HydrophobicContact CE2-CZ 3.87Å; F86-F126 HydrophobicContact CG-CZ 4.04Å; F86-F126 HydrophobicContact CZ-CE1 4.3Å; F86-F126 AromaticContact CZ-CZ 3.66Å; F86-F126 HydrophobicContact CZ-CZ 3.66Å; C113-F126 HydrophobicContact CB-CE2 4.32Å; H123-F126 AromaticContact CE1-CD2 3.08Å; H123-F126 WeakPolarHBondContact CE1-CD2 3.49Å; H123-F126 AromaticContact CE1-CE2 3.63Å; H123-F126 AromaticContact CE1-CG 3.83Å; H123-F126 AromaticContact ND1-CD2 3.4Å; H123-F126 WeakPolarHBondContact ND1-CD2 3.5Å; H123-F126 AromaticContact ND1-CG 3.72Å; H123-F126 PolarHBondContact ND1-N 2.95Å; H123-F126 AromaticContact NE2-CD2 3.61Å; F126-M130 HydrophobicContact CB-CB 4.44Å; F126-M130 HydrophobicContact CB-CG 4.41Å; F126-M130 HydrophobicContact CD1-CG 4.18Å; F126-M130 HydrophobicContact CG-CG 4.37Å; F126-A150 HydrophobicContact CE1-CB 3.86Å; F126-A150 HydrophobicContact CZ-CB 4.25Å; F126-E153 HydrophobicContact CD1-CB 4.44Å; F126-A154 HydrophobicContact CE1-CB 4.26Å
127	S	86	Confident	76.6	Confident	42 Å²	42	61 Å²	61	29%	0.294	39%	0.386	S	S	.	.			trans	-72.1	156.2	175.9	73.7	0	0	0	0	112	A129 M130 A131 E153	S127-A129 PolarHBondContact O-N 3.18Å; S127-M130 WeakPolarHBondContact O-CB 3.48Å; S127-M130 PolarHBondContact O-N 3.18Å; S127-M130 VanDerWaalsContact O-N 3.12Å; S127-M130 WeakPolarHBondContact OG-CB 3.43Å; S127-M130 PolarHBondContact OG-N 3.29Å; S127-A131 PolarHBondContact O-N 3.11Å; S127-E153 WeakPolarHBondContact CB-OE2 3.23Å; S127-E153 PolarHBondContact N-OE2 3.26Å; S127-E153 PolarHBondContact OG-OE1 3.15Å; S127-E153 PolarHBondContact OG-OE2 3.3Å
128	Q	83.2	Confident	78.1	Confident	112 Å²	112	64.1 Å²	64.1	52%	0.523	40%	0.404	S	S	.	.	H	α-helix	trans	-60.6	-31.4	171.2	-173.4	62.1	39.5	0	0	111.8	M130 A131 T132	Q128-M130 VanDerWaalsContact C-N 3.35Å; Q128-A131 PolarHBondContact O-N 3.2Å; Q128-T132 PolarHBondContact O-N 3.46Å; Q128-T132 VanDerWaalsContact O-N 3.15Å; Q128-T132 PolarHBondContact O-OG1 2.89Å; Q128-T132 VanDerWaalsContact O-OG1 3.05Å
129	A	85.3	Confident	79.7	Confident	72 Å²	72	64.3 Å²	64.3	60%	0.595	40%	0.399	S	S	*	.	H	α-helix	trans	-65.5	-38.9	175.9	0	0	0	0	0	111.6	S127 T132 K133	S127-A129 PolarHBondContact O-N 3.18Å; A129-T132 PolarHBondContact O-N 3.46Å; A129-K133 WeakPolarHBondContact O-CB 3.4Å; A129-K133 PolarHBondContact O-N 3.16Å
130	M	87.4	Confident	81.4	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-60.3	-48.5	174.9	-177.8	55.6	64.1	0	0	111.9	F126 S127 Q128 T132 K133 C134 L149 A150 E153	F126-M130 HydrophobicContact CB-CB 4.44Å; F126-M130 HydrophobicContact CB-CG 4.41Å; F126-M130 HydrophobicContact CD1-CG 4.18Å; F126-M130 HydrophobicContact CG-CG 4.37Å; S127-M130 WeakPolarHBondContact O-CB 3.48Å; S127-M130 PolarHBondContact O-N 3.18Å; S127-M130 VanDerWaalsContact O-N 3.12Å; S127-M130 WeakPolarHBondContact OG-CB 3.43Å; S127-M130 PolarHBondContact OG-N 3.29Å; Q128-M130 VanDerWaalsContact C-N 3.35Å; M130-T132 VanDerWaalsContact C-N 3.35Å; M130-T132 PolarHBondContact O-N 3.48Å; M130-K133 PolarHBondContact O-N 2.76Å; M130-K133 VanDerWaalsContact O-N 3.16Å; M130-C134 PolarHBondContact O-N 2.92Å; M130-C134 PolarHBondContact O-SG 3.49Å; M130-L149 HydrophobicContact CE-CB 3.77Å; M130-L149 HydrophobicContact CE-CD2 3.57Å; M130-L149 HydrophobicContact CE-CG 3.44Å; M130-L149 VanDerWaalsContact CE-CG 3.44Å; M130-A150 HydrophobicContact CE-CB 4.13Å; M130-A150 HydrophobicContact CG-CB 4.38Å; M130-A150 HydrophobicContact SD-CB 3.82Å; M130-E153 VanDerWaalsContact CE-CD 3.47Å; M130-E153 HydrophobicContact CE-CG 3.91Å; M130-E153 VanDerWaalsContact CE-OE1 3.31Å; M130-E153 WeakPolarHBondContact CE-OE1 3.47Å
131	A	83.7	Confident	83	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.008	38%	0.378	C	S	.	.	H	α-helix	trans	-58.8	-46.5	178.6	0	0	0	0	0	111.3	S127 Q128 K133 C134 Q135	S127-A131 PolarHBondContact O-N 3.11Å; Q128-A131 PolarHBondContact O-N 3.2Å; A131-K133 VanDerWaalsContact C-N 3.33Å; A131-K133 PolarHBondContact O-N 3.38Å; A131-C134 PolarHBondContact O-N 3.38Å; A131-Q135 VanDerWaalsContact O-CG 3.24Å; A131-Q135 WeakPolarHBondContact O-CG 3.3Å; A131-Q135 PolarHBondContact O-N 3.15Å
132	T	85.9	Confident	84.5	Confident	76 Å²	76	65 Å²	65	47%	0.466	37%	0.366	S	S	.	.	H	α-helix	trans	-59.9	-41.9	175.9	-55.7	0	0	0	0	112	Q128 A129 M130 Q135 A136	Q128-T132 PolarHBondContact O-N 3.46Å; Q128-T132 VanDerWaalsContact O-N 3.15Å; Q128-T132 PolarHBondContact O-OG1 2.89Å; Q128-T132 VanDerWaalsContact O-OG1 3.05Å; A129-T132 PolarHBondContact O-N 3.46Å; M130-T132 VanDerWaalsContact C-N 3.35Å; M130-T132 PolarHBondContact O-N 3.48Å; T132-Q135 PolarHBondContact O-N 3.3Å; T132-A136 WeakPolarHBondContact O-CB 3.45Å; T132-A136 PolarHBondContact O-N 3.27Å
133	K	87.6	Confident	85.8	Confident	91 Å²	91	63.6 Å²	63.6	40%	0.396	35%	0.348	S	S	.	.	H	α-helix	trans	-65.7	-41.4	179.1	-170	177.8	-178.9	-175.2	0	111.9	A129 M130 A131 A136 A137 L149	A129-K133 WeakPolarHBondContact O-CB 3.4Å; A129-K133 PolarHBondContact O-N 3.16Å; M130-K133 PolarHBondContact O-N 2.76Å; M130-K133 VanDerWaalsContact O-N 3.16Å; A131-K133 VanDerWaalsContact C-N 3.33Å; A131-K133 PolarHBondContact O-N 3.38Å; K133-A136 PolarHBondContact O-N 3.44Å; K133-A137 PolarHBondContact O-N 3.16Å; K133-A137 VanDerWaalsContact O-N 3.15Å; K133-L149 HydrophobicContact CD-CD2 3.95Å
134	C	86.6	Confident	86.8	Confident	4 Å²	4	64 Å²	64	3%	0.027	35%	0.353	C	S	.	.	H	α-helix	trans	-66.7	-37.6	176.7	-65.1	0	0	0	0	111.9	V110 C113 A114 M130 A131 A136 A137	V110-C134 HydrophobicContact CG1-CB 4.1Å; C113-C134 HydrophobicContact CB-CB 4.08Å; C113-C134 WeakPolarHBondContact CB-SG 3.44Å; A114-C134 HydrophobicContact CB-CB 3.97Å; M130-C134 PolarHBondContact O-N 2.92Å; M130-C134 PolarHBondContact O-SG 3.49Å; A131-C134 PolarHBondContact O-N 3.38Å; C134-A136 VanDerWaalsContact C-N 3.32Å; C134-A136 PolarHBondContact O-N 2.97Å; C134-A137 PolarHBondContact O-N 3.36Å
135	Q	86.5	Confident	87.7	Confident	124 Å²	124	64 Å²	64	58%	0.579	36%	0.357	S	S	*	.	H	α-helix	trans	-67.2	-31.9	174.7	-70.5	169.9	4.4	0	0	112.8	A114 A131 T132	A114-Q135 HydrophobicContact CB-CG 3.9Å; A114-Q135 PolarHBondContact O-NE2 3.39Å; A131-Q135 VanDerWaalsContact O-CG 3.24Å; A131-Q135 WeakPolarHBondContact O-CG 3.3Å; A131-Q135 PolarHBondContact O-N 3.15Å; T132-Q135 PolarHBondContact O-N 3.3Å
136	A	88.3	Confident	88.1	Confident	69 Å²	69	63 Å²	63	57%	0.57	35%	0.353	S	S	*	.	H	α-helix	trans	-83.6	-9.4	177.8	0	0	0	0	0	114	T132 K133 C134 T138	T132-A136 WeakPolarHBondContact O-CB 3.45Å; T132-A136 PolarHBondContact O-N 3.27Å; K133-A136 PolarHBondContact O-N 3.44Å; C134-A136 VanDerWaalsContact C-N 3.32Å; C134-A136 PolarHBondContact O-N 2.97Å; A136-T138 PolarHBondContact O-N 3.31Å
137	A	89.6	Confident	88.3	Confident	15 Å²	15	62.2 Å²	62.2	12%	0.124	35%	0.349	C	S	.	.			trans	-73.4	106.6	-176.6	0	0	0	0	0	111.3	K133 C134 D142 R143	K133-A137 PolarHBondContact O-N 3.16Å; K133-A137 VanDerWaalsContact O-N 3.15Å; C134-A137 PolarHBondContact O-N 3.36Å; A137-D142 HydrophobicContact CB-CB 3.88Å; A137-R143 HydrophobicContact CB-CG 4.03Å
138	T	87	Confident	88.7	Confident	108 Å²	108	63.4 Å²	63.4	66%	0.663	36%	0.355	S	S	*	.			trans	-104	-37.1	-176.7	56.7	0	0	0	0	112.8	A136	A136-T138 PolarHBondContact O-N 3.31Å
139	T	90.4	Very high	89.1	Confident	65 Å²	65	61.4 Å²	61.4	40%	0.399	35%	0.347	S	S	.	.	S	Bend	trans	-90	163.5	178.4	71	0	0	0	0	112	E141 D142 R143	T139-E141 VanDerWaalsContact C-N 3.34Å; T139-D142 WeakPolarHBondContact CB-OD2 3.3Å; T139-D142 PolarHBondContact N-OD2 3.12Å; T139-D142 PolarHBondContact O-N 3.24Å; T139-D142 WeakPolarHBondContact OG1-CB 3.45Å; T139-D142 PolarHBondContact OG1-N 3.48Å; T139-D142 VanDerWaalsContact OG1-N 3.1Å; T139-D142 PolarHBondContact OG1-OD2 3.02Å; T139-R143 VanDerWaalsContact O-CG 3.3Å; T139-R143 WeakPolarHBondContact O-CG 3.45Å; T139-R143 PolarHBondContact O-N 2.96Å; T139-R143 VanDerWaalsContact O-N 3.13Å
140	E	86.6	Confident	89.4	Confident	125 Å²	125	58 Å²	58	58%	0.584	32%	0.319	S	S	*	.	H	α-helix	trans	-61.9	-42.7	173.8	-170.6	-177	155.1	0	0	111.7	L106 D142 R143 V144	L106-E140 HydrophobicContact CD2-CG 4.27Å; E140-D142 VanDerWaalsContact C-N 3.33Å; E140-D142 PolarHBondContact O-N 2.93Å; E140-R143 WeakPolarHBondContact O-CB 3.34Å; E140-R143 PolarHBondContact O-N 3.41Å; E140-R143 VanDerWaalsContact O-N 3.12Å; E140-V144 WeakPolarHBondContact O-CG2 3.24Å; E140-V144 PolarHBondContact O-N 3.42Å
141	E	89.7	Confident	89.8	Confident	164 Å²	164	61.2 Å²	61.2	77%	0.766	33%	0.333	S	S	*	.	H	α-helix	trans	-59	-42.9	176.2	-66.9	178.8	-178.6	0	0	111.8	T139 R143 V144 A145	T139-E141 VanDerWaalsContact C-N 3.34Å; E141-R143 VanDerWaalsContact C-N 3.32Å; E141-R143 PolarHBondContact O-N 3.16Å; E141-V144 PolarHBondContact O-N 3.27Å; E141-A145 WeakPolarHBondContact O-CB 3.48Å; E141-A145 PolarHBondContact O-N 3.43Å
142	D	90.6	Very high	90.2	Very high	70 Å²	70	64.4 Å²	64.4	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-40.7	176	-64.5	-39.7	0	0	0	111.8	A137 T139 E140 A145 A146	A137-D142 HydrophobicContact CB-CB 3.88Å; T139-D142 WeakPolarHBondContact CB-OD2 3.3Å; T139-D142 PolarHBondContact N-OD2 3.12Å; T139-D142 PolarHBondContact O-N 3.24Å; T139-D142 WeakPolarHBondContact OG1-CB 3.45Å; T139-D142 PolarHBondContact OG1-N 3.48Å; T139-D142 VanDerWaalsContact OG1-N 3.1Å; T139-D142 PolarHBondContact OG1-OD2 3.02Å; E140-D142 VanDerWaalsContact C-N 3.33Å; E140-D142 PolarHBondContact O-N 2.93Å; D142-A145 PolarHBondContact O-N 3.17Å; D142-A146 VanDerWaalsContact O-CB 3.29Å; D142-A146 WeakPolarHBondContact O-CB 3.33Å; D142-A146 PolarHBondContact O-N 3.05Å
143	R	91.8	Very high	90.5	Very high	69 Å²	69	63 Å²	63	26%	0.26	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-45	179.1	-69.9	174.4	-167.4	173.6	4.4	111.2	L106 V110 A137 T139 E140 E141 A145 A146 V147	L106-R143 HydrophobicContact CD1-CB 4.07Å; L106-R143 HydrophobicContact CD2-CB 3.94Å; L106-R143 HydrophobicContact CG-CB 3.99Å; V110-R143 HydrophobicContact CG2-CB 3.87Å; V110-R143 HydrophobicContact CG2-CG 3.99Å; A137-R143 HydrophobicContact CB-CG 4.03Å; T139-R143 VanDerWaalsContact O-CG 3.3Å; T139-R143 WeakPolarHBondContact O-CG 3.45Å; T139-R143 PolarHBondContact O-N 2.96Å; T139-R143 VanDerWaalsContact O-N 3.13Å; E140-R143 WeakPolarHBondContact O-CB 3.34Å; E140-R143 PolarHBondContact O-N 3.41Å; E140-R143 VanDerWaalsContact O-N 3.12Å; E141-R143 VanDerWaalsContact C-N 3.32Å; E141-R143 PolarHBondContact O-N 3.16Å; R143-A145 VanDerWaalsContact C-N 3.34Å; R143-A145 PolarHBondContact O-N 3.01Å; R143-A146 PolarHBondContact O-N 2.98Å; R143-V147 WeakPolarHBondContact O-CG2 3.48Å; R143-V147 PolarHBondContact O-N 2.95Å
144	V	92.3	Very high	90.8	Very high	51 Å²	51	58.7 Å²	58.7	31%	0.309	33%	0.325	S	S	.	.	H	α-helix	trans	-58.5	-47.5	174.8	169.4	0	0	0	0	110.4	W93 L106 E140 E141 A146 V147 T148	W93-V144 HydrophobicContact CH2-CB 4.33Å; W93-V144 HydrophobicContact CH2-CG1 4.15Å; W93-V144 HydrophobicContact CH2-CG2 4Å; W93-V144 HydrophobicContact CZ2-CG2 3.9Å; L106-V144 HydrophobicContact CD2-CG2 4.06Å; E140-V144 WeakPolarHBondContact O-CG2 3.24Å; E140-V144 PolarHBondContact O-N 3.42Å; E141-V144 PolarHBondContact O-N 3.27Å; V144-A146 VanDerWaalsContact C-N 3.32Å; V144-A146 PolarHBondContact O-N 2.72Å; V144-V147 PolarHBondContact O-N 3.41Å; V144-T148 WeakPolarHBondContact O-CB 3.45Å; V144-T148 PolarHBondContact O-N 2.91Å; V144-T148 PolarHBondContact O-OG1 2.86Å
145	A	92.4	Very high	91.2	Very high	46 Å²	46	60.7 Å²	60.7	38%	0.38	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-34.9	178.4	0	0	0	0	0	112.7	E141 D142 R143 L149	E141-A145 WeakPolarHBondContact O-CB 3.48Å; E141-A145 PolarHBondContact O-N 3.43Å; D142-A145 PolarHBondContact O-N 3.17Å; R143-A145 VanDerWaalsContact C-N 3.34Å; R143-A145 PolarHBondContact O-N 3.01Å; A145-L149 PolarHBondContact O-N 3.15Å
146	A	91.9	Very high	91.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-67	-49.7	175.1	0	0	0	0	0	111.5	D142 R143 V144 T148 L149 A150	D142-A146 VanDerWaalsContact O-CB 3.29Å; D142-A146 WeakPolarHBondContact O-CB 3.33Å; D142-A146 PolarHBondContact O-N 3.05Å; R143-A146 PolarHBondContact O-N 2.98Å; V144-A146 VanDerWaalsContact C-N 3.32Å; V144-A146 PolarHBondContact O-N 2.72Å; A146-T148 VanDerWaalsContact C-N 3.32Å; A146-T148 PolarHBondContact O-N 3.5Å; A146-L149 PolarHBondContact O-N 3.39Å; A146-A150 WeakPolarHBondContact O-CB 3.41Å; A146-A150 PolarHBondContact O-N 3.29Å
147	V	92.3	Very high	91.8	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-38.9	178	171.9	0	0	0	0	111.8	V90 W93 L106 L109 V110 R143 V144 L149 A150 K151	V90-V147 HydrophobicContact CB-CG1 4.47Å; V90-V147 HydrophobicContact CG1-CG1 3.92Å; V90-V147 HydrophobicContact CG2-CG1 3.77Å; W93-V147 HydrophobicContact CE3-CG1 4Å; W93-V147 HydrophobicContact CZ3-CB 4.33Å; W93-V147 HydrophobicContact CZ3-CG1 3.76Å; L106-V147 HydrophobicContact CD1-CB 4.37Å; L106-V147 HydrophobicContact CD1-CG2 3.69Å; L109-V147 HydrophobicContact CB-CG2 3.93Å; L109-V147 HydrophobicContact CD1-CG1 4.2Å; V110-V147 HydrophobicContact CG2-CG2 3.8Å; R143-V147 WeakPolarHBondContact O-CG2 3.48Å; R143-V147 PolarHBondContact O-N 2.95Å; V144-V147 PolarHBondContact O-N 3.41Å; V147-L149 VanDerWaalsContact C-N 3.33Å; V147-L149 PolarHBondContact O-N 3.46Å; V147-A150 PolarHBondContact O-N 3.32Å; V147-K151 WeakPolarHBondContact O-CB 3.27Å; V147-K151 PolarHBondContact O-N 2.97Å
148	T	93.2	Very high	92	Very high	67 Å²	67	55 Å²	55	41%	0.411	30%	0.3	S	S	.	.	H	α-helix	trans	-61.4	-41.8	176.4	-58.2	0	0	0	0	111.9	V144 A146 S152	V144-T148 WeakPolarHBondContact O-CB 3.45Å; V144-T148 PolarHBondContact O-N 2.91Å; V144-T148 PolarHBondContact O-OG1 2.86Å; A146-T148 VanDerWaalsContact C-N 3.32Å; A146-T148 PolarHBondContact O-N 3.5Å; T148-S152 PolarHBondContact O-N 3.46Å; T148-S152 PolarHBondContact O-OG 3.45Å
149	L	92.3	Very high	92.4	Very high	71 Å²	71	54.1 Å²	54.1	37%	0.372	29%	0.289	S	S	.	.	H	α-helix	trans	-69.8	-40.1	175.4	-170.7	69.9	0	0	0	111.2	M130 K133 A145 A146 V147 K151 S152 E153	M130-L149 HydrophobicContact CE-CB 3.77Å; M130-L149 HydrophobicContact CE-CD2 3.57Å; M130-L149 HydrophobicContact CE-CG 3.44Å; M130-L149 VanDerWaalsContact CE-CG 3.44Å; K133-L149 HydrophobicContact CD-CD2 3.95Å; A145-L149 PolarHBondContact O-N 3.15Å; A146-L149 PolarHBondContact O-N 3.39Å; V147-L149 VanDerWaalsContact C-N 3.33Å; V147-L149 PolarHBondContact O-N 3.46Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 3.12Å; L149-S152 WeakPolarHBondContact O-CA 3.41Å; L149-S152 WeakPolarHBondContact O-CB 3.33Å; L149-S152 PolarHBondContact O-N 2.78Å; L149-E153 PolarHBondContact O-N 2.8Å
150	A	92.3	Very high	92.6	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-40.8	177.3	0	0	0	0	0	111.8	F86 F126 M130 A146 V147 S152 E153 A154	F86-A150 HydrophobicContact CE1-CB 4.09Å; F86-A150 HydrophobicContact CZ-CB 3.69Å; F126-A150 HydrophobicContact CE1-CB 3.86Å; F126-A150 HydrophobicContact CZ-CB 4.25Å; M130-A150 HydrophobicContact CE-CB 4.13Å; M130-A150 HydrophobicContact CG-CB 4.38Å; M130-A150 HydrophobicContact SD-CB 3.82Å; A146-A150 WeakPolarHBondContact O-CB 3.41Å; A146-A150 PolarHBondContact O-N 3.29Å; V147-A150 PolarHBondContact O-N 3.32Å; A150-S152 VanDerWaalsContact C-N 3.25Å; A150-S152 PolarHBondContact O-N 3.37Å; A150-E153 PolarHBondContact O-N 3.08Å; A150-A154 WeakPolarHBondContact O-CB 3.34Å; A150-A154 PolarHBondContact O-N 3.5Å
151	K	94.1	Very high	92.8	Very high	68 Å²	68	55.8 Å²	55.8	30%	0.296	29%	0.292	S	S	.	.	H	α-helix	trans	-54.9	-43.1	170.4	-174.7	-173.9	-174.9	173.6	0	111.4	L87 V90 E94 V147 L149 M155	L87-K151 HydrophobicContact CD2-CB 4.44Å; L87-K151 HydrophobicContact CD2-CG 3.8Å; V90-K151 HydrophobicContact CG1-CB 4.21Å; V90-K151 HydrophobicContact CG1-CD 3.87Å; V90-K151 HydrophobicContact CG1-CG 4.17Å; E94-K151 IonicContact OE1-NZ 3.73Å; E94-K151 PolarHBondContact OE1-NZ 2.99Å; E94-K151 IonicContact OE2-NZ 2.72Å; E94-K151 PolarHBondContact OE2-NZ 2.9Å; V147-K151 WeakPolarHBondContact O-CB 3.27Å; V147-K151 PolarHBondContact O-N 2.97Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 3.12Å; K151-M155 VanDerWaalsContact O-CB 3.28Å; K151-M155 WeakPolarHBondContact O-CB 3.48Å; K151-M155 PolarHBondContact O-N 3.35Å
152	S	93.3	Very high	93.1	Very high	68 Å²	68	48 Å²	48	48%	0.476	26%	0.255	S	S	.	.	H	α-helix	trans	-68.5	-42	179.9	-55.3	0	0	0	0	112.2	T148 L149 A150 A156	T148-S152 PolarHBondContact O-N 3.46Å; T148-S152 PolarHBondContact O-OG 3.45Å; L149-S152 WeakPolarHBondContact O-CA 3.41Å; L149-S152 WeakPolarHBondContact O-CB 3.33Å; L149-S152 PolarHBondContact O-N 2.78Å; A150-S152 VanDerWaalsContact C-N 3.25Å; A150-S152 PolarHBondContact O-N 3.37Å; S152-A156 WeakPolarHBondContact O-CB 3.46Å; S152-A156 PolarHBondContact O-N 2.65Å
153	E	92.8	Very high	93.4	Very high	48 Å²	48	45.3 Å²	45.3	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-46.1	174.4	-74.6	-166.2	-166.1	0	0	112.1	F126 S127 M130 L149 A150 M155 A156 F157	F126-E153 HydrophobicContact CD1-CB 4.44Å; S127-E153 WeakPolarHBondContact CB-OE2 3.23Å; S127-E153 PolarHBondContact N-OE2 3.26Å; S127-E153 PolarHBondContact OG-OE1 3.15Å; S127-E153 PolarHBondContact OG-OE2 3.3Å; M130-E153 VanDerWaalsContact CE-CD 3.47Å; M130-E153 HydrophobicContact CE-CG 3.91Å; M130-E153 VanDerWaalsContact CE-OE1 3.31Å; M130-E153 WeakPolarHBondContact CE-OE1 3.47Å; L149-E153 PolarHBondContact O-N 2.8Å; A150-E153 PolarHBondContact O-N 3.08Å; E153-M155 VanDerWaalsContact C-N 3.32Å; E153-M155 PolarHBondContact O-N 2.89Å; E153-A156 PolarHBondContact O-N 3.22Å; E153-F157 PolarHBondContact O-N 2.89Å
154	A	92.8	Very high	93.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-39.6	177.7	0	0	0	0	0	111.9	F86 L87 F125 F126 A150 F157 L158	F86-A154 HydrophobicContact CD1-CB 3.85Å; F86-A154 HydrophobicContact CE1-CB 4.15Å; L87-A154 HydrophobicContact CD2-CB 3.93Å; L87-A154 HydrophobicContact CG-CB 4.15Å; F125-A154 HydrophobicContact CD2-CB 4.02Å; F125-A154 HydrophobicContact CE2-CB 4.23Å; F126-A154 HydrophobicContact CE1-CB 4.26Å; A150-A154 WeakPolarHBondContact O-CB 3.34Å; A150-A154 PolarHBondContact O-N 3.5Å; A154-F157 WeakPolarHBondContact O-CB 3.4Å; A154-F157 PolarHBondContact O-N 2.98Å; A154-L158 PolarHBondContact O-N 2.81Å; A154-L158 VanDerWaalsContact O-N 3.16Å
155	M	94.1	Very high	93.8	Very high	45 Å²	45	47.9 Å²	47.9	22%	0.222	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-43.3	174.5	-177.1	56.4	75.9	0	0	111.9	F56 E61 L87 K151 E153 F157 L158 Q159	F56-M155 HydrophobicContact CE1-SD 3.54Å; F56-M155 VanDerWaalsContact CE1-SD 3.54Å; F56-M155 HydrophobicContact CZ-SD 3.75Å; E61-M155 WeakPolarHBondContact OE1-CE 3.4Å; L87-M155 HydrophobicContact CD1-CE 4.08Å; K151-M155 VanDerWaalsContact O-CB 3.28Å; K151-M155 WeakPolarHBondContact O-CB 3.48Å; K151-M155 PolarHBondContact O-N 3.35Å; E153-M155 VanDerWaalsContact C-N 3.32Å; E153-M155 PolarHBondContact O-N 2.89Å; M155-F157 VanDerWaalsContact C-N 3.29Å; M155-F157 PolarHBondContact O-N 3.47Å; M155-L158 PolarHBondContact O-N 3.48Å; M155-Q159 WeakPolarHBondContact O-CG 3.25Å; M155-Q159 PolarHBondContact O-N 2.76Å; M155-Q159 VanDerWaalsContact O-N 3.07Å
156	A	93.8	Very high	94.1	Very high	43 Å²	43	45.8 Å²	45.8	36%	0.355	23%	0.234	S	C	.	.	H	α-helix	trans	-59.6	-41.3	175.8	0	0	0	0	0	111.6	S152 E153 L158 Q159 E160	S152-A156 WeakPolarHBondContact O-CB 3.46Å; S152-A156 PolarHBondContact O-N 2.65Å; E153-A156 PolarHBondContact O-N 3.22Å; A156-L158 PolarHBondContact O-N 2.85Å; A156-Q159 WeakPolarHBondContact O-CB 3.4Å; A156-Q159 PolarHBondContact O-N 2.69Å; A156-E160 WeakPolarHBondContact O-CG 3.44Å; A156-E160 PolarHBondContact O-N 3.24Å
157	F	93.8	Very high	94.3	Very high	39 Å²	39	47.1 Å²	47.1	17%	0.171	24%	0.241	C	C	.	.	H	α-helix	trans	-57.1	-48.5	173.3	169	-103.4	0	0	0	112.2	F80 A83 P124 F125 E153 A154 M155 Q159 E160 P162	F80-F157 AromaticContact CD1-CE1 3.99Å; F80-F157 HydrophobicContact CD1-CE1 3.99Å; F80-F157 AromaticContact CD1-CZ 3.86Å; F80-F157 HydrophobicContact CD1-CZ 3.86Å; F80-F157 HydrophobicContact CE1-CE1 4.47Å; F80-F157 AromaticContact CE1-CZ 3.96Å; F80-F157 HydrophobicContact CE1-CZ 3.96Å; A83-F157 HydrophobicContact CB-CD1 3.88Å; A83-F157 HydrophobicContact CB-CE1 3.98Å; P124-F157 WeakPolarHBondContact O-CE2 3.38Å; F125-F157 HydrophobicContact CB-CB 3.65Å; F125-F157 HydrophobicContact CB-CD1 3.51Å; F125-F157 HydrophobicContact CB-CD2 3.71Å; F125-F157 HydrophobicContact CB-CE1 4.02Å; F125-F157 HydrophobicContact CB-CE2 4.2Å; F125-F157 HydrophobicContact CB-CG 3.33Å; F125-F157 HydrophobicContact CB-CZ 4.34Å; F125-F157 HydrophobicContact CD1-CD1 4.4Å; F125-F157 HydrophobicContact CD1-CE1 4.32Å; F125-F157 HydrophobicContact CG-CD1 4.15Å; F125-F157 HydrophobicContact CG-CE1 4.5Å; F125-F157 HydrophobicContact CG-CG 4.41Å; E153-F157 PolarHBondContact O-N 2.89Å; A154-F157 WeakPolarHBondContact O-CB 3.4Å; A154-F157 PolarHBondContact O-N 2.98Å; M155-F157 VanDerWaalsContact C-N 3.29Å; M155-F157 PolarHBondContact O-N 3.47Å; F157-Q159 PolarHBondContact O-N 3.23Å; F157-E160 PolarHBondContact O-N 2.89Å; F157-E160 VanDerWaalsContact O-N 3.17Å; F157-P162 HydrophobicContact CD1-CG 4.18Å; F157-P162 HydrophobicContact CE1-CG 3.78Å; F157-P162 HydrophobicContact CE2-CG 4.39Å; F157-P162 HydrophobicContact CZ-CG 3.9Å; F157-P162 WeakPolarHBondContact O-CD 3.3Å
158	L	94.6	Very high	94.5	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-30.2	178.8	-68.4	-174.5	0	0	0	113.2	F56 F70 L74 A83 L87 A154 M155 A156 E160 P162 F163	F56-L158 HydrophobicContact CE2-CB 4.33Å; F56-L158 HydrophobicContact CZ-CB 4.27Å; F70-L158 HydrophobicContact CZ-CB 4.47Å; L74-L158 HydrophobicContact CD1-CD1 4.04Å; L74-L158 HydrophobicContact CD1-CD2 3.94Å; L74-L158 HydrophobicContact CD2-CD2 3.81Å; A83-L158 HydrophobicContact CB-CD2 3.98Å; A83-L158 HydrophobicContact CB-CG 4.37Å; L87-L158 HydrophobicContact CD1-CD1 3.53Å; A154-L158 PolarHBondContact O-N 2.81Å; A154-L158 VanDerWaalsContact O-N 3.16Å; M155-L158 PolarHBondContact O-N 3.48Å; A156-L158 PolarHBondContact O-N 2.85Å; L158-E160 VanDerWaalsContact C-N 3.3Å; L158-E160 PolarHBondContact O-N 2.96Å; L158-P162 HydrophobicContact CD2-CB 4.21Å; L158-P162 HydrophobicContact CD2-CG 4.21Å; L158-F163 WeakPolarHBondContact O-CB 3.25Å; L158-F163 PolarHBondContact O-N 3.44Å
159	Q	95.4	Very high	94.6	Very high	90 Å²	90	49.8 Å²	49.8	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-73.1	-18.1	177.9	-71.6	178.5	19.1	0	0	114	F56 M155 A156 F157	F56-Q159 HydrophobicContact CB-CG 4.26Å; F56-Q159 HydrophobicContact CD1-CG 3.45Å; F56-Q159 VanDerWaalsContact CD1-CG 3.45Å; F56-Q159 HydrophobicContact CD2-CG 4.01Å; F56-Q159 HydrophobicContact CE1-CG 3.63Å; F56-Q159 HydrophobicContact CE2-CG 4.16Å; F56-Q159 HydrophobicContact CG-CB 4.42Å; F56-Q159 HydrophobicContact CG-CG 3.64Å; F56-Q159 HydrophobicContact CZ-CG 3.99Å; M155-Q159 WeakPolarHBondContact O-CG 3.25Å; M155-Q159 PolarHBondContact O-N 2.76Å; M155-Q159 VanDerWaalsContact O-N 3.07Å; A156-Q159 WeakPolarHBondContact O-CB 3.4Å; A156-Q159 PolarHBondContact O-N 2.69Å; F157-Q159 PolarHBondContact O-N 3.23Å
160	E	93.8	Very high	94.8	Very high	125 Å²	125	51.2 Å²	51.2	58%	0.584	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-106.4	-176.7	-69.7	-173.6	178.9	0	0	112.6	A156 F157 L158 K164	A156-E160 WeakPolarHBondContact O-CG 3.44Å; A156-E160 PolarHBondContact O-N 3.24Å; F157-E160 PolarHBondContact O-N 2.89Å; F157-E160 VanDerWaalsContact O-N 3.17Å; L158-E160 VanDerWaalsContact C-N 3.3Å; L158-E160 PolarHBondContact O-N 2.96Å; E160-K164 WeakPolarHBondContact O-CG 3.34Å; E160-K164 PolarHBondContact O-N 2.95Å
161	Q	91.6	Very high	95	Very high	99 Å²	99	53.9 Å²	53.9	46%	0.463	28%	0.283	S	S	.	.	H	α-helix	trans	-66.1	-44.4	-174.2	-168.8	61.6	29.5	0	0	113.1	F163 K164 D165	Q161-F163 VanDerWaalsContact C-N 3.29Å; Q161-F163 PolarHBondContact O-N 2.94Å; Q161-K164 PolarHBondContact O-N 3.26Å; Q161-K164 VanDerWaalsContact O-N 3.11Å; Q161-D165 PolarHBondContact NE2-OD1 3.06Å; Q161-D165 VanDerWaalsContact O-CG 3.25Å; Q161-D165 PolarHBondContact O-N 2.62Å
162	P	95.7	Very high	95.1	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.3	-39.7	178.5	-22.7	34.7	0	0	0	112.5	F73 L74 F80 F157 L158 D165 F166	F73-P162 VanDerWaalsContact CE1-O 3.29Å; F73-P162 WeakPolarHBondContact CE1-O 3.49Å; L74-P162 HydrophobicContact CD2-CB 3.98Å; F80-P162 HydrophobicContact CD1-CB 4.12Å; F80-P162 HydrophobicContact CD1-CG 3.77Å; F80-P162 HydrophobicContact CD2-CB 4.11Å; F80-P162 HydrophobicContact CE1-CB 4.04Å; F80-P162 HydrophobicContact CE1-CG 3.57Å; F80-P162 HydrophobicContact CE2-CB 4.02Å; F80-P162 HydrophobicContact CE2-CG 4.45Å; F80-P162 HydrophobicContact CG-CB 4.18Å; F80-P162 HydrophobicContact CG-CG 4.32Å; F80-P162 HydrophobicContact CZ-CB 3.98Å; F80-P162 HydrophobicContact CZ-CG 3.94Å; F157-P162 HydrophobicContact CD1-CG 4.18Å; F157-P162 HydrophobicContact CE1-CG 3.78Å; F157-P162 HydrophobicContact CE2-CG 4.39Å; F157-P162 HydrophobicContact CZ-CG 3.9Å; F157-P162 WeakPolarHBondContact O-CD 3.3Å; L158-P162 HydrophobicContact CD2-CB 4.21Å; L158-P162 HydrophobicContact CD2-CG 4.21Å; P162-D165 PolarHBondContact O-N 2.55Å; P162-F166 WeakPolarHBondContact O-CB 3.35Å; P162-F166 PolarHBondContact O-N 2.52Å
163	F	97.3	Very high	95.1	Very high	15 Å²	15	50.1 Å²	50.1	7%	0.066	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-41.8	175.5	-179.2	-125.3	0	0	0	112.6	P54 F56 L59 L158 Q161 D165 F166 L167	P54-F163 WeakPolarHBondContact O-CE1 3.34Å; F56-F163 HydrophobicContact CB-CD1 4.12Å; F56-F163 HydrophobicContact CB-CD2 4.39Å; F56-F163 HydrophobicContact CB-CE1 4.04Å; F56-F163 HydrophobicContact CB-CE2 4.32Å; F56-F163 HydrophobicContact CB-CG 4.29Å; F56-F163 HydrophobicContact CB-CZ 4.15Å; F56-F163 HydrophobicContact CD2-CB 3.92Å; F56-F163 HydrophobicContact CD2-CD1 4.38Å; F56-F163 AromaticContact CD2-CD2 3.7Å; F56-F163 HydrophobicContact CD2-CD2 3.7Å; F56-F163 HydrophobicContact CD2-CE2 4.3Å; F56-F163 AromaticContact CD2-CG 3.75Å; F56-F163 HydrophobicContact CD2-CG 3.75Å; F56-F163 HydrophobicContact CE2-CB 4.49Å; L59-F163 HydrophobicContact CD1-CE2 4.32Å; L59-F163 HydrophobicContact CD1-CZ 4.13Å; L158-F163 WeakPolarHBondContact O-CB 3.25Å; L158-F163 PolarHBondContact O-N 3.44Å; Q161-F163 VanDerWaalsContact C-N 3.29Å; Q161-F163 PolarHBondContact O-N 2.94Å; F163-D165 VanDerWaalsContact C-N 3.32Å; F163-D165 PolarHBondContact O-N 3.35Å; F163-F166 HydrophobicContact CD2-CD1 4.26Å; F163-F166 HydrophobicContact CE2-CD1 4.36Å; F163-F166 WeakPolarHBondContact O-CB 3.31Å; F163-F166 PolarHBondContact O-N 3.09Å; F163-L167 HydrophobicContact CD1-CD1 4.23Å; F163-L167 HydrophobicContact CD2-CG 4.44Å; F163-L167 HydrophobicContact CE1-CD1 3.83Å; F163-L167 HydrophobicContact CE2-CD1 4.3Å; F163-L167 HydrophobicContact CE2-CD2 4.05Å; F163-L167 HydrophobicContact CE2-CG 4.11Å; F163-L167 HydrophobicContact CZ-CD1 3.86Å; F163-L167 HydrophobicContact CZ-CD2 4.08Å; F163-L167 HydrophobicContact CZ-CG 4.15Å; F163-L167 WeakPolarHBondContact O-CG 3.31Å; F163-L167 PolarHBondContact O-N 3.44Å
164	K	96.3	Very high	95.2	Very high	123 Å²	123	50.2 Å²	50.2	54%	0.535	26%	0.26	S	S	.	.	H	α-helix	trans	-61.3	-42.4	174.6	-69.8	170.7	-173.7	169.2	0	111.8	E160 Q161 L167 T168	E160-K164 WeakPolarHBondContact O-CG 3.34Å; E160-K164 PolarHBondContact O-N 2.95Å; Q161-K164 PolarHBondContact O-N 3.26Å; Q161-K164 VanDerWaalsContact O-N 3.11Å; K164-L167 PolarHBondContact O-N 2.86Å; K164-T168 PolarHBondContact O-N 3.46Å
165	D	97.1	Very high	95.4	Very high	51 Å²	51	50.3 Å²	50.3	27%	0.273	26%	0.261	S	S	.	.	H	α-helix	trans	-65.2	-42.4	177.8	-66.1	-14.6	0	0	0	110.4	F73 Q161 P162 F163 L167 T168 S169	F73-D165 HydrophobicContact CE1-CB 4.41Å; F73-D165 HydrophobicContact CZ-CB 3.66Å; Q161-D165 PolarHBondContact NE2-OD1 3.06Å; Q161-D165 VanDerWaalsContact O-CG 3.25Å; Q161-D165 PolarHBondContact O-N 2.62Å; P162-D165 PolarHBondContact O-N 2.55Å; F163-D165 VanDerWaalsContact C-N 3.32Å; F163-D165 PolarHBondContact O-N 3.35Å; D165-L167 VanDerWaalsContact C-N 3.35Å; D165-L167 PolarHBondContact O-N 3.42Å; D165-T168 PolarHBondContact O-N 3.14Å; D165-T168 VanDerWaalsContact O-N 3.12Å; D165-T168 PolarHBondContact O-OG1 3.41Å; D165-S169 PolarHBondContact O-N 3.25Å
166	F	97.7	Very high	95.5	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	25%	0.25	C	C	.	.	H	α-helix	trans	-55.2	-47.6	173.5	171.5	-110.5	0	0	0	112.1	L69 F70 F73 P162 F163 T168 S169 F171 Y172	L69-F166 HydrophobicContact CB-CE2 4.35Å; F70-F166 HydrophobicContact CB-CD2 4.48Å; F70-F166 HydrophobicContact CB-CE2 4.23Å; F70-F166 HydrophobicContact CB-CZ 4.31Å; F70-F166 HydrophobicContact CD2-CB 3.77Å; F70-F166 AromaticContact CD2-CD1 3.97Å; F70-F166 HydrophobicContact CD2-CD1 3.97Å; F70-F166 AromaticContact CD2-CD2 3.82Å; F70-F166 HydrophobicContact CD2-CD2 3.82Å; F70-F166 HydrophobicContact CD2-CE2 4.37Å; F70-F166 AromaticContact CD2-CG 3.58Å; F70-F166 HydrophobicContact CD2-CG 3.58Å; F70-F166 HydrophobicContact CE2-CB 3.84Å; F70-F166 HydrophobicContact CE2-CG 4.16Å; F73-F166 HydrophobicContact CB-CD2 3.93Å; F73-F166 HydrophobicContact CD1-CB 3.78Å; F73-F166 HydrophobicContact CD1-CD2 4.07Å; F73-F166 HydrophobicContact CD1-CG 4.38Å; F73-F166 HydrophobicContact CE1-CB 3.8Å; F73-F166 HydrophobicContact CG-CB 4.34Å; F73-F166 AromaticContact CG-CD2 3.97Å; F73-F166 HydrophobicContact CG-CD2 3.97Å; F73-F166 HydrophobicContact CZ-CB 4.38Å; P162-F166 WeakPolarHBondContact O-CB 3.35Å; P162-F166 PolarHBondContact O-N 2.52Å; F163-F166 HydrophobicContact CD2-CD1 4.26Å; F163-F166 HydrophobicContact CE2-CD1 4.36Å; F163-F166 WeakPolarHBondContact O-CB 3.31Å; F163-F166 PolarHBondContact O-N 3.09Å; F166-T168 PolarHBondContact O-N 3.19Å; F166-T168 VanDerWaalsContact O-N 3.13Å; F166-S169 WeakPolarHBondContact O-CB 3.43Å; F166-S169 PolarHBondContact O-N 3.12Å; F166-S169 PolarHBondContact O-OG 2.85Å; F166-F171 HydrophobicContact CD2-CB 4.12Å; F166-F171 HydrophobicContact CE2-CB 3.78Å; F166-Y172 HydrophobicContact CD1-CD2 4.38Å; F166-Y172 AromaticContact CE1-CD2 3.72Å; F166-Y172 HydrophobicContact CE1-CD2 3.72Å; F166-Y172 HydrophobicContact CE1-CG 4.39Å; F166-Y172 HydrophobicContact CZ-CD2 4.12Å; F166-Y172 WeakPolarHBondContact O-CB 3.45Å
167	L	96.4	Very high	95.5	Very high	28 Å²	28	47.6 Å²	47.6	15%	0.147	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-20.8	-179.3	-68.1	173.9	0	0	0	114.1	R49 P54 L59 F163 K164 D165 Y172	R49-L167 PolarHBondContact NH1-O 3.45Å; P54-L167 HydrophobicContact CB-CD1 3.74Å; P54-L167 HydrophobicContact CB-CD2 4.49Å; L59-L167 HydrophobicContact CD1-CD2 4.22Å; F163-L167 HydrophobicContact CD1-CD1 4.23Å; F163-L167 HydrophobicContact CD2-CG 4.44Å; F163-L167 HydrophobicContact CE1-CD1 3.83Å; F163-L167 HydrophobicContact CE2-CD1 4.3Å; F163-L167 HydrophobicContact CE2-CD2 4.05Å; F163-L167 HydrophobicContact CE2-CG 4.11Å; F163-L167 HydrophobicContact CZ-CD1 3.86Å; F163-L167 HydrophobicContact CZ-CD2 4.08Å; F163-L167 HydrophobicContact CZ-CG 4.15Å; F163-L167 WeakPolarHBondContact O-CG 3.31Å; F163-L167 PolarHBondContact O-N 3.44Å; K164-L167 PolarHBondContact O-N 2.86Å; D165-L167 VanDerWaalsContact C-N 3.35Å; D165-L167 PolarHBondContact O-N 3.42Å; L167-Y172 HydrophobicContact CD2-CD1 4.16Å; L167-Y172 HydrophobicContact CD2-CD2 3.91Å; L167-Y172 HydrophobicContact CD2-CE1 3.93Å; L167-Y172 HydrophobicContact CD2-CE2 3.68Å; L167-Y172 HydrophobicContact CD2-CG 4.15Å; L167-Y172 VanDerWaalsContact O-CD1 3.22Å; L167-Y172 WeakPolarHBondContact O-CD1 3.07Å
168	T	95.6	Very high	95.7	Very high	114 Å²	114	45.9 Å²	45.9	70%	0.699	23%	0.232	S	C	*	.	H	α-helix	trans	-100.5	-5.3	175.7	63.5	0	0	0	0	113.3	K164 D165 F166	K164-T168 PolarHBondContact O-N 3.46Å; D165-T168 PolarHBondContact O-N 3.14Å; D165-T168 VanDerWaalsContact O-N 3.12Å; D165-T168 PolarHBondContact O-OG1 3.41Å; F166-T168 PolarHBondContact O-N 3.19Å; F166-T168 VanDerWaalsContact O-N 3.13Å
169	S	96.6	Very high	95.7	Very high	11 Å²	11	46.2 Å²	46.2	8%	0.077	23%	0.234	C	C	.	.	S	Bend	trans	-84.4	159.5	-177.4	79.5	0	0	0	0	113.1	D165 F166 F171 Y172 D173	D165-S169 PolarHBondContact O-N 3.25Å; F166-S169 WeakPolarHBondContact O-CB 3.43Å; F166-S169 PolarHBondContact O-N 3.12Å; F166-S169 PolarHBondContact O-OG 2.85Å; S169-F171 PolarHBondContact O-N 2.91Å; S169-F171 VanDerWaalsContact O-N 3.15Å; S169-F171 WeakPolarHBondContact OG-CB 3.03Å; S169-F171 PolarHBondContact OG-N 3.27Å; S169-Y172 PolarHBondContact O-N 2.96Å; S169-Y172 VanDerWaalsContact O-N 3.11Å; S169-D173 PolarHBondContact O-N 3.4Å
170	P	95.3	Very high	95.6	Very high	101 Å²	101	43.2 Å²	43.2	66%	0.656	22%	0.22	S	C	*	.	H	α-helix	trans	-59.2	-21.3	170.4	-24.7	34.9	0	0	0	114.2	Y172 D173 K174	P170-Y172 VanDerWaalsContact C-N 3.34Å; P170-D173 PolarHBondContact O-N 2.95Å; P170-K174 PolarHBondContact O-N 3.14Å
171	F	96.6	Very high	95.6	Very high	56 Å²	56	37.5 Å²	37.5	25%	0.246	19%	0.194	C	C	.	.	H	α-helix	trans	-67.6	-37	176.3	-64	-91.4	0	0	0	111.5	L69 D72 F73 T76 F166 S169 K174 F175	L69-F171 HydrophobicContact CD2-CD1 4.46Å; D72-F171 HydrophobicContact CB-CD1 4.33Å; D72-F171 HydrophobicContact CB-CE1 3.98Å; F73-F171 HydrophobicContact CB-CB 4.21Å; F73-F171 HydrophobicContact CB-CD1 4.31Å; F73-F171 HydrophobicContact CB-CD2 3.77Å; F73-F171 HydrophobicContact CB-CE2 4.17Å; F73-F171 HydrophobicContact CB-CG 3.85Å; F73-F171 AromaticContact CD2-CD2 3.78Å; F73-F171 HydrophobicContact CD2-CD2 3.78Å; F73-F171 HydrophobicContact CD2-CE2 4.1Å; F73-F171 HydrophobicContact CG-CD2 4.25Å; T76-F171 HydrophobicContact CG2-CE2 4.01Å; T76-F171 HydrophobicContact CG2-CZ 3.72Å; F166-F171 HydrophobicContact CD2-CB 4.12Å; F166-F171 HydrophobicContact CE2-CB 3.78Å; S169-F171 PolarHBondContact O-N 2.91Å; S169-F171 VanDerWaalsContact O-N 3.15Å; S169-F171 WeakPolarHBondContact OG-CB 3.03Å; S169-F171 PolarHBondContact OG-N 3.27Å; F171-K174 WeakPolarHBondContact O-CB 3.49Å; F171-K174 PolarHBondContact O-N 3.49Å; F171-F175 PolarHBondContact O-N 2.94Å
172	Y	96.3	Very high	95.8	Very high	6 Å²	6	33.4 Å²	33.4	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-73.8	-34.1	174.7	-174.8	-114.7	0	0	0	111.8	R49 L59 F166 L167 S169 P170 K174 F175 L176	R49-Y172 HydrophobicContact CG-CE1 4.44Å; L59-Y172 HydrophobicContact CD1-CE2 4.15Å; F166-Y172 HydrophobicContact CD1-CD2 4.38Å; F166-Y172 AromaticContact CE1-CD2 3.72Å; F166-Y172 HydrophobicContact CE1-CD2 3.72Å; F166-Y172 HydrophobicContact CE1-CG 4.39Å; F166-Y172 HydrophobicContact CZ-CD2 4.12Å; F166-Y172 WeakPolarHBondContact O-CB 3.45Å; L167-Y172 HydrophobicContact CD2-CD1 4.16Å; L167-Y172 HydrophobicContact CD2-CD2 3.91Å; L167-Y172 HydrophobicContact CD2-CE1 3.93Å; L167-Y172 HydrophobicContact CD2-CE2 3.68Å; L167-Y172 HydrophobicContact CD2-CG 4.15Å; L167-Y172 VanDerWaalsContact O-CD1 3.22Å; L167-Y172 WeakPolarHBondContact O-CD1 3.07Å; S169-Y172 PolarHBondContact O-N 2.96Å; S169-Y172 VanDerWaalsContact O-N 3.11Å; P170-Y172 VanDerWaalsContact C-N 3.34Å; Y172-K174 VanDerWaalsContact C-N 3.27Å; Y172-K174 PolarHBondContact O-N 3.48Å; Y172-F175 HydrophobicContact CD2-CB 4.27Å; Y172-F175 AromaticContact CD2-CD1 3.83Å; Y172-F175 HydrophobicContact CD2-CD1 3.83Å; Y172-F175 HydrophobicContact CD2-CG 4.38Å; Y172-F175 AromaticContact CE2-CD1 3.6Å; Y172-F175 HydrophobicContact CE2-CD1 3.6Å; Y172-F175 HydrophobicContact CE2-CE1 4.07Å; Y172-F175 WeakPolarHBondContact O-CB 3.18Å; Y172-F175 PolarHBondContact O-N 2.98Å; Y172-L176 HydrophobicContact CD1-CD1 4.14Å; Y172-L176 HydrophobicContact CD1-CG 4.42Å; Y172-L176 HydrophobicContact CE1-CD1 3.95Å; Y172-L176 HydrophobicContact CE1-CD2 4.23Å; Y172-L176 HydrophobicContact CE1-CG 4.18Å; Y172-L176 VanDerWaalsContact O-CG 3.31Å; Y172-L176 WeakPolarHBondContact O-CG 3.1Å; Y172-L176 PolarHBondContact O-N 3.15Å
173	D	94.3	Very high	95.6	Very high	50 Å²	50	39.4 Å²	39.4	27%	0.267	20%	0.204	S	C	.	.	H	α-helix	trans	-58	-43.1	168.5	-73.1	-38.7	0	0	0	111.5	L42 R49 S169 P170 F175 L176 Q177	L42-D173 HydrophobicContact CD2-CB 4.02Å; R49-D173 IonicContact CZ-OD1 3.09Å; R49-D173 IonicContact NH2-OD1 2.83Å; R49-D173 PolarHBondContact NH2-OD1 3.42Å; S169-D173 PolarHBondContact O-N 3.4Å; P170-D173 PolarHBondContact O-N 2.95Å; D173-F175 PolarHBondContact O-N 3.21Å; D173-L176 WeakPolarHBondContact O-CB 3.28Å; D173-L176 PolarHBondContact O-N 3.32Å; D173-Q177 WeakPolarHBondContact O-CG 3.31Å; D173-Q177 PolarHBondContact O-N 2.81Å; D173-Q177 VanDerWaalsContact O-N 3.07Å
174	K	95.1	Very high	95.4	Very high	51 Å²	51	40.2 Å²	40.2	22%	0.222	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-41.8	174.9	-167.4	67.6	172	-168.7	0	111.9	L39 L69 P170 F171 Y172 L176 Q177 W178 N531	L39-K174 HydrophobicContact CD1-CD 4.07Å; L39-K174 VanDerWaalsContact CD1-CE 3.43Å; L69-K174 HydrophobicContact CD1-CB 4.46Å; L69-K174 HydrophobicContact CD1-CG 4.5Å; L69-K174 HydrophobicContact CD2-CB 4.47Å; L69-K174 HydrophobicContact CD2-CG 4.23Å; P170-K174 PolarHBondContact O-N 3.14Å; F171-K174 WeakPolarHBondContact O-CB 3.49Å; F171-K174 PolarHBondContact O-N 3.49Å; Y172-K174 VanDerWaalsContact C-N 3.27Å; Y172-K174 PolarHBondContact O-N 3.48Å; K174-L176 VanDerWaalsContact C-N 3.31Å; K174-L176 PolarHBondContact O-N 2.86Å; K174-Q177 WeakPolarHBondContact O-CB 3.29Å; K174-Q177 PolarHBondContact O-N 2.87Å; K174-W178 VanDerWaalsContact O-CD1 3.25Å; K174-W178 PolarHBondContact O-N 3.29Å; K174-W178 VanDerWaalsContact O-N 3.11Å; K174-N531 VanDerWaalsContact CE-CG 3.48Å; K174-N531 WeakPolarHBondContact CE-OD1 3.4Å; K174-N531 PolarHBondContact NZ-OD1 2.74Å
175	F	96.4	Very high	95.1	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-58.1	-43.8	173.4	173.9	-100.1	0	0	0	111.4	L52 L59 I65 L69 F171 Y172 D173 Q177 W178 K179	L52-F175 HydrophobicContact CD1-CE1 4.14Å; L59-F175 HydrophobicContact CD2-CE1 3.56Å; L59-F175 HydrophobicContact CD2-CZ 3.63Å; I65-F175 HydrophobicContact CG2-CD2 4.28Å; L69-F175 HydrophobicContact CD1-CB 3.67Å; L69-F175 HydrophobicContact CD1-CD2 4.4Å; F171-F175 PolarHBondContact O-N 2.94Å; Y172-F175 HydrophobicContact CD2-CB 4.27Å; Y172-F175 AromaticContact CD2-CD1 3.83Å; Y172-F175 HydrophobicContact CD2-CD1 3.83Å; Y172-F175 HydrophobicContact CD2-CG 4.38Å; Y172-F175 AromaticContact CE2-CD1 3.6Å; Y172-F175 HydrophobicContact CE2-CD1 3.6Å; Y172-F175 HydrophobicContact CE2-CE1 4.07Å; Y172-F175 WeakPolarHBondContact O-CB 3.18Å; Y172-F175 PolarHBondContact O-N 2.98Å; D173-F175 PolarHBondContact O-N 3.21Å; F175-Q177 VanDerWaalsContact C-N 3.32Å; F175-Q177 PolarHBondContact O-N 3.32Å; F175-W178 WeakPolarHBondContact O-CB 3.41Å; F175-W178 PolarHBondContact O-N 2.8Å; F175-W178 VanDerWaalsContact O-N 3.1Å; F175-K179 HydrophobicContact CD1-CG 4.06Å; F175-K179 HydrophobicContact CE1-CD 4.03Å; F175-K179 HydrophobicContact CE1-CG 3.58Å; F175-K179 HydrophobicContact CE2-CD 3.96Å; F175-K179 HydrophobicContact CE2-CG 4.15Å; F175-K179 HydrophobicContact CZ-CD 3.55Å; F175-K179 HydrophobicContact CZ-CG 3.65Å; F175-K179 WeakPolarHBondContact O-CG 3.31Å; F175-K179 PolarHBondContact O-N 2.78Å
176	L	95.6	Very high	95	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-36.9	177.2	-65.2	170.9	0	0	0	112.6	C45 I48 R49 L52 Y172 D173 K174 W178 K179 L180	C45-L176 HydrophobicContact CB-CB 3.85Å; C45-L176 HydrophobicContact CB-CD1 4.16Å; I48-L176 HydrophobicContact CB-CD2 4.41Å; I48-L176 HydrophobicContact CG2-CD2 3.72Å; R49-L176 HydrophobicContact CB-CD1 3.85Å; R49-L176 HydrophobicContact CB-CD2 4.36Å; R49-L176 HydrophobicContact CG-CD1 4.19Å; L52-L176 HydrophobicContact CD1-CD2 3.81Å; Y172-L176 HydrophobicContact CD1-CD1 4.14Å; Y172-L176 HydrophobicContact CD1-CG 4.42Å; Y172-L176 HydrophobicContact CE1-CD1 3.95Å; Y172-L176 HydrophobicContact CE1-CD2 4.23Å; Y172-L176 HydrophobicContact CE1-CG 4.18Å; Y172-L176 VanDerWaalsContact O-CG 3.31Å; Y172-L176 WeakPolarHBondContact O-CG 3.1Å; Y172-L176 PolarHBondContact O-N 3.15Å; D173-L176 WeakPolarHBondContact O-CB 3.28Å; D173-L176 PolarHBondContact O-N 3.32Å; K174-L176 VanDerWaalsContact C-N 3.31Å; K174-L176 PolarHBondContact O-N 2.86Å; L176-W178 VanDerWaalsContact C-N 3.33Å; L176-K179 PolarHBondContact O-N 2.99Å; L176-L180 PolarHBondContact O-N 2.75Å
177	Q	95	Very high	94.8	Very high	32 Å²	32	38.1 Å²	38.1	15%	0.15	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-41.4	172.7	-64.1	-179.2	-71.3	0	0	111.7	L39 P40 L42 D173 K174 F175 L180 F181	L39-Q177 HydrophobicContact CB-CB 4.29Å; L39-Q177 HydrophobicContact CD1-CB 4.4Å; P40-Q177 WeakPolarHBondContact O-CG 3.24Å; P40-Q177 PolarHBondContact O-NE2 3.15Å; L42-Q177 HydrophobicContact CD2-CG 4Å; D173-Q177 WeakPolarHBondContact O-CG 3.31Å; D173-Q177 PolarHBondContact O-N 2.81Å; D173-Q177 VanDerWaalsContact O-N 3.07Å; K174-Q177 WeakPolarHBondContact O-CB 3.29Å; K174-Q177 PolarHBondContact O-N 2.87Å; F175-Q177 VanDerWaalsContact C-N 3.32Å; F175-Q177 PolarHBondContact O-N 3.32Å; Q177-L180 WeakPolarHBondContact O-CB 3.23Å; Q177-L180 PolarHBondContact O-N 3.4Å; Q177-F181 PolarHBondContact O-N 3.44Å
178	W	96.4	Very high	94.7	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-39.6	174	-79.1	110	0	0	0	112.3	L39 I65 K174 F175 L176 L180 F181 E182 W517 I521 F527 L530 N531	L39-W178 HydrophobicContact CD1-CD2 4.4Å; L39-W178 HydrophobicContact CD1-CZ2 4.17Å; L39-W178 HydrophobicContact CD2-CD2 3.74Å; L39-W178 HydrophobicContact CD2-CE3 3.72Å; L39-W178 HydrophobicContact CD2-CG 4.38Å; L39-W178 HydrophobicContact CD2-CH2 4.07Å; L39-W178 HydrophobicContact CD2-CZ2 4.07Å; L39-W178 HydrophobicContact CD2-CZ3 3.87Å; I65-W178 HydrophobicContact CD1-CB 4.35Å; I65-W178 HydrophobicContact CD1-CD2 3.92Å; I65-W178 HydrophobicContact CD1-CE3 3.93Å; I65-W178 HydrophobicContact CD1-CG 4.13Å; I65-W178 HydrophobicContact CG2-CB 4.09Å; I65-W178 HydrophobicContact CG2-CG 3.96Å; K174-W178 VanDerWaalsContact O-CD1 3.25Å; K174-W178 PolarHBondContact O-N 3.29Å; K174-W178 VanDerWaalsContact O-N 3.11Å; F175-W178 WeakPolarHBondContact O-CB 3.41Å; F175-W178 PolarHBondContact O-N 2.8Å; F175-W178 VanDerWaalsContact O-N 3.1Å; L176-W178 VanDerWaalsContact C-N 3.33Å; W178-L180 PolarHBondContact O-N 3.27Å; W178-F181 HydrophobicContact CE3-CD1 4.12Å; W178-F181 AromaticContact CZ3-CD1 3.92Å; W178-F181 HydrophobicContact CZ3-CD1 3.92Å; W178-F181 HydrophobicContact CZ3-CE1 4.36Å; W178-F181 WeakPolarHBondContact O-CB 3.3Å; W178-F181 PolarHBondContact O-N 2.75Å; W178-F181 VanDerWaalsContact O-N 3.14Å; W178-E182 WeakPolarHBondContact O-CB 3.29Å; W178-E182 PolarHBondContact O-N 3.31Å; W178-W517 AromaticContact CE3-CH2 3.95Å; W178-W517 HydrophobicContact CE3-CH2 3.95Å; W178-W517 HydrophobicContact CE3-CZ3 4.36Å; W178-W517 HydrophobicContact CZ3-CH2 4.36Å; W178-I521 HydrophobicContact CE3-CG2 4.16Å; W178-I521 HydrophobicContact CH2-CG2 3.57Å; W178-I521 HydrophobicContact CZ2-CG2 4.49Å; W178-I521 HydrophobicContact CZ3-CG2 3.39Å; W178-F527 HydrophobicContact CD2-CD2 4.43Å; W178-F527 AromaticContact CE2-CD2 3.64Å; W178-F527 AromaticContact CE2-CE2 3.96Å; W178-F527 HydrophobicContact CH2-CD2 4.38Å; W178-F527 HydrophobicContact CZ2-CB 4.42Å; W178-F527 AromaticContact CZ2-CD2 3.62Å; W178-F527 HydrophobicContact CZ2-CD2 3.62Å; W178-F527 HydrophobicContact CZ2-CE2 4.31Å; W178-F527 HydrophobicContact CZ2-CG 4.34Å; W178-F527 AromaticContact NE1-CD2 3.74Å; W178-F527 AromaticContact NE1-CE2 3.54Å; W178-L530 HydrophobicContact CH2-CB 3.79Å; W178-L530 HydrophobicContact CH2-CD1 3.72Å; W178-L530 HydrophobicContact CH2-CG 4.12Å; W178-L530 HydrophobicContact CZ2-CB 3.88Å; W178-L530 HydrophobicContact CZ3-CD1 4.12Å; W178-N531 WeakPolarHBondContact CZ2-OD1 3.39Å; W178-N531 PolarHBondContact NE1-OD1 3.32Å; W178-N531 VanDerWaalsContact NE1-OD1 3.09Å
179	K	95.3	Very high	94.5	Very high	14 Å²	14	42 Å²	42	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-37.4	174.1	-62.9	-60.7	-78.5	174.7	0	112.5	I48 L52 Q63 F175 L176 F181 E182 M183	I48-K179 HydrophobicContact CD1-CB 4.33Å; I48-K179 HydrophobicContact CG2-CB 4.26Å; L52-K179 HydrophobicContact CD1-CG 4.27Å; Q63-K179 VanDerWaalsContact OE1-CE 3.31Å; F175-K179 HydrophobicContact CD1-CG 4.06Å; F175-K179 HydrophobicContact CE1-CD 4.03Å; F175-K179 HydrophobicContact CE1-CG 3.58Å; F175-K179 HydrophobicContact CE2-CD 3.96Å; F175-K179 HydrophobicContact CE2-CG 4.15Å; F175-K179 HydrophobicContact CZ-CD 3.55Å; F175-K179 HydrophobicContact CZ-CG 3.65Å; F175-K179 WeakPolarHBondContact O-CG 3.31Å; F175-K179 PolarHBondContact O-N 2.78Å; L176-K179 PolarHBondContact O-N 2.99Å; K179-F181 VanDerWaalsContact C-N 3.29Å; K179-F181 PolarHBondContact O-N 3.07Å; K179-E182 WeakPolarHBondContact CE-OE1 3.46Å; K179-E182 IonicContact NZ-OE1 3.37Å; K179-E182 PolarHBondContact NZ-OE1 3.17Å; K179-E182 IonicContact NZ-OE2 3.06Å; K179-E182 PolarHBondContact NZ-OE2 3.34Å; K179-E182 PolarHBondContact O-N 3.4Å; K179-M183 VanDerWaalsContact O-CG 3.25Å; K179-M183 WeakPolarHBondContact O-CG 3.45Å; K179-M183 PolarHBondContact O-N 2.95Å; K179-M183 VanDerWaalsContact O-N 3.1Å
180	L	93.7	Very high	94.3	Very high	28 Å²	28	42.5 Å²	42.5	15%	0.147	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-37.2	171.7	-75.1	169.2	0	0	0	112.4	P40 C45 I48 L176 Q177 W178 Q184	P40-L180 HydrophobicContact CB-CB 4Å; P40-L180 HydrophobicContact CB-CD1 3.91Å; P40-L180 HydrophobicContact CG-CB 3.78Å; C45-L180 HydrophobicContact CB-CD1 4.48Å; C45-L180 WeakPolarHBondContact SG-CD1 3.13Å; I48-L180 HydrophobicContact CD1-CB 4.29Å; I48-L180 HydrophobicContact CD1-CD2 3.3Å; I48-L180 HydrophobicContact CD1-CG 3.57Å; I48-L180 HydrophobicContact CG1-CD2 3.77Å; I48-L180 HydrophobicContact CG1-CG 4.28Å; L176-L180 PolarHBondContact O-N 2.75Å; Q177-L180 WeakPolarHBondContact O-CB 3.23Å; Q177-L180 PolarHBondContact O-N 3.4Å; W178-L180 PolarHBondContact O-N 3.27Å; L180-Q184 PolarHBondContact O-NE2 3.46Å
181	F	93.8	Very high	94.3	Very high	5 Å²	5	38.6 Å²	38.6	2%	0.022	19%	0.193	C	C	.	.	H	α-helix	trans	-70.3	-39.8	178	-166.9	-115.6	0	0	0	111.7	L37 L39 P40 Q177 W178 K179 M183 Q184 W517 L530 L552	L37-F181 HydrophobicContact CD2-CZ 4.35Å; L39-F181 HydrophobicContact CD2-CB 4.16Å; L39-F181 HydrophobicContact CD2-CG 4.26Å; P40-F181 HydrophobicContact CG-CB 4.48Å; Q177-F181 PolarHBondContact O-N 3.44Å; W178-F181 HydrophobicContact CE3-CD1 4.12Å; W178-F181 AromaticContact CZ3-CD1 3.92Å; W178-F181 HydrophobicContact CZ3-CD1 3.92Å; W178-F181 HydrophobicContact CZ3-CE1 4.36Å; W178-F181 WeakPolarHBondContact O-CB 3.3Å; W178-F181 PolarHBondContact O-N 2.75Å; W178-F181 VanDerWaalsContact O-N 3.14Å; K179-F181 VanDerWaalsContact C-N 3.29Å; K179-F181 PolarHBondContact O-N 3.07Å; F181-M183 VanDerWaalsContact C-N 3.32Å; F181-M183 PolarHBondContact O-N 3.2Å; F181-Q184 VanDerWaalsContact O-CG 3.31Å; F181-Q184 WeakPolarHBondContact O-CG 3.28Å; F181-Q184 PolarHBondContact O-N 3.41Å; F181-W517 HydrophobicContact CB-CH2 4.3Å; F181-W517 AromaticContact CD1-CH2 3.6Å; F181-W517 HydrophobicContact CD1-CH2 3.6Å; F181-W517 AromaticContact CD1-CZ2 3.5Å; F181-W517 HydrophobicContact CD1-CZ2 3.5Å; F181-W517 HydrophobicContact CE1-CH2 4.43Å; F181-W517 AromaticContact CE1-CZ2 3.99Å; F181-W517 HydrophobicContact CE1-CZ2 3.99Å; F181-W517 HydrophobicContact CG-CH2 4.38Å; F181-W517 HydrophobicContact CG-CZ2 4.41Å; F181-L530 HydrophobicContact CE1-CD1 4.4Å; F181-L530 HydrophobicContact CZ-CD1 4.5Å; F181-L552 HydrophobicContact CD2-CD1 4.42Å; F181-L552 HydrophobicContact CE1-CD1 4.45Å; F181-L552 HydrophobicContact CE2-CD1 3.95Å; F181-L552 HydrophobicContact CE2-CD2 4.15Å; F181-L552 HydrophobicContact CE2-CG 3.93Å; F181-L552 HydrophobicContact CZ-CD1 3.96Å; F181-L552 HydrophobicContact CZ-CD2 3.74Å; F181-L552 HydrophobicContact CZ-CG 4Å
182	E	95.4	Very high	94.2	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.056	20%	0.195	C	C	.	.	H	α-helix	trans	-59.5	-40.3	173.6	-173.7	-173	92.3	0	0	112.1	W178 K179 Q184 A512 P514 W517 Q518	W178-E182 WeakPolarHBondContact O-CB 3.29Å; W178-E182 PolarHBondContact O-N 3.31Å; K179-E182 WeakPolarHBondContact CE-OE1 3.46Å; K179-E182 IonicContact NZ-OE1 3.37Å; K179-E182 PolarHBondContact NZ-OE1 3.17Å; K179-E182 IonicContact NZ-OE2 3.06Å; K179-E182 PolarHBondContact NZ-OE2 3.34Å; K179-E182 PolarHBondContact O-N 3.4Å; E182-Q184 PolarHBondContact O-N 2.83Å; E182-A512 HydrophobicContact CG-CB 4.26Å; E182-P514 WeakPolarHBondContact OE1-CG 3.43Å; E182-P514 WeakPolarHBondContact OE2-CA 3.34Å; E182-W517 HydrophobicContact CB-CD2 4.17Å; E182-W517 HydrophobicContact CB-CE3 3.76Å; E182-W517 HydrophobicContact CB-CH2 3.77Å; E182-W517 HydrophobicContact CB-CZ2 4.22Å; E182-W517 HydrophobicContact CB-CZ3 3.56Å; E182-W517 HydrophobicContact CG-CD2 3.88Å; E182-W517 HydrophobicContact CG-CE3 3.61Å; E182-W517 HydrophobicContact CG-CG 4.34Å; E182-W517 HydrophobicContact CG-CZ3 3.97Å; E182-Q518 PolarHBondContact OE2-NE2 3.46Å
183	M	92.6	Very high	94.1	Very high	127 Å²	127	42.2 Å²	42.2	63%	0.626	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	6.3	-175.8	-69.2	-179.7	73.7	0	0	114.8	I48 K179 F181	I48-M183 HydrophobicContact CD1-SD 3.55Å; I48-M183 VanDerWaalsContact CD1-SD 3.55Å; I48-M183 HydrophobicContact CG1-SD 4.42Å; K179-M183 VanDerWaalsContact O-CG 3.25Å; K179-M183 WeakPolarHBondContact O-CG 3.45Å; K179-M183 PolarHBondContact O-N 2.95Å; K179-M183 VanDerWaalsContact O-N 3.1Å; F181-M183 VanDerWaalsContact C-N 3.32Å; F181-M183 PolarHBondContact O-N 3.2Å
184	Q	91.1	Very high	94	Very high	32 Å²	32	42.7 Å²	42.7	15%	0.15	21%	0.214	C	C	.	.	S	Bend	trans	-68.5	146	178.3	-66.4	-55.9	-55.5	0	0	111.8	L180 F181 E182 V186 L552	L180-Q184 PolarHBondContact O-NE2 3.46Å; F181-Q184 VanDerWaalsContact O-CG 3.31Å; F181-Q184 WeakPolarHBondContact O-CG 3.28Å; F181-Q184 PolarHBondContact O-N 3.41Å; E182-Q184 PolarHBondContact O-N 2.83Å; Q184-V186 PolarHBondContact O-N 3.02Å; Q184-L552 HydrophobicContact CB-CD1 3.82Å; Q184-L552 HydrophobicContact CG-CD1 4.15Å
185	P	91.9	Very high	93.6	Very high	83 Å²	83	40.4 Å²	40.4	54%	0.539	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-65.8	125.9	-175.2	-21	32.6	0	0	0	113.3	Y190	P185-Y190 WeakPolarHBondContact O-CE2 3.32Å; P185-Y190 PolarHBondContact O-OH 3.28Å
186	V	94.1	Very high	93.3	Very high	23 Å²	23	41.7 Å²	41.7	14%	0.139	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-95.1	140.4	-178.9	-177.8	0	0	0	0	111.1	Q184 Y190 F191 Y256 F258	Q184-V186 PolarHBondContact O-N 3.02Å; V186-Y190 HydrophobicContact CG1-CD1 4.47Å; V186-Y190 HydrophobicContact CG1-CD2 4.44Å; V186-Y190 HydrophobicContact CG1-CG 4.23Å; V186-Y190 HydrophobicContact CG2-CE1 4.47Å; V186-F191 HydrophobicContact CG1-CE2 3.83Å; V186-F191 HydrophobicContact CG1-CZ 4.31Å; V186-Y256 HydrophobicContact CG1-CD1 3.99Å; V186-Y256 HydrophobicContact CG2-CD1 3.91Å; V186-Y256 HydrophobicContact CG2-CE1 4.29Å; V186-F258 HydrophobicContact CB-CB 4.47Å; V186-F258 HydrophobicContact CG1-CB 4.32Å; V186-F258 HydrophobicContact CG1-CD1 4.06Å; V186-F258 HydrophobicContact CG1-CG 4.32Å
187	S	93.8	Very high	92.9	Very high	25 Å²	25	43.7 Å²	43.7	18%	0.175	22%	0.222	C	C	.	.			trans	-143.9	174.8	176.3	64.8	0	0	0	0	111.7	K189 Y190	S187-K189 PolarHBondContact O-N 3.2Å; S187-K189 VanDerWaalsContact O-N 3.12Å; S187-Y190 VanDerWaalsContact N-CD2 3.34Å; S187-Y190 WeakPolarHBondContact O-CB 3.15Å; S187-Y190 WeakPolarHBondContact O-CD2 3.43Å; S187-Y190 PolarHBondContact O-N 2.96Å
188	D	92.9	Very high	92.4	Very high	91 Å²	91	43.3 Å²	43.3	49%	0.487	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-54.4	-28.6	174.2	58.7	-16.7	0	0	0	113.2	Y190 F191 F258	D188-Y190 PolarHBondContact O-N 3.42Å; D188-F191 PolarHBondContact O-N 3.26Å; D188-F191 VanDerWaalsContact O-N 3.14Å; D188-F258 HydrophobicContact CB-CE2 4.06Å
189	K	93.1	Very high	91.8	Very high	131 Å²	131	46.2 Å²	46.2	57%	0.57	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-61.5	-22.3	176.4	-63.6	-176.9	179.8	-179	0	114.3	S187 F191 K211	S187-K189 PolarHBondContact O-N 3.2Å; S187-K189 VanDerWaalsContact O-N 3.12Å; K189-F191 PolarHBondContact O-N 3.43Å; K189-K211 VanDerWaalsContact O-CD 3.31Å; K189-K211 WeakPolarHBondContact O-CD 3.38Å; K189-K211 VanDerWaalsContact O-CE 3.3Å; K189-K211 WeakPolarHBondContact O-CE 3.42Å; K189-K211 PolarHBondContact O-NZ 2.9Å
190	Y	92.4	Very high	91	Very high	22 Å²	22	47.3 Å²	47.3	9%	0.086	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-70.7	-19.9	178.8	-79.8	-115.9	0	0	0	112.7	P185 V186 S187 D188 K211 L552 L553	P185-Y190 WeakPolarHBondContact O-CE2 3.32Å; P185-Y190 PolarHBondContact O-OH 3.28Å; V186-Y190 HydrophobicContact CG1-CD1 4.47Å; V186-Y190 HydrophobicContact CG1-CD2 4.44Å; V186-Y190 HydrophobicContact CG1-CG 4.23Å; V186-Y190 HydrophobicContact CG2-CE1 4.47Å; S187-Y190 VanDerWaalsContact N-CD2 3.34Å; S187-Y190 WeakPolarHBondContact O-CB 3.15Å; S187-Y190 WeakPolarHBondContact O-CD2 3.43Å; S187-Y190 PolarHBondContact O-N 2.96Å; D188-Y190 PolarHBondContact O-N 3.42Å; Y190-K211 WeakPolarHBondContact O-CB 3.45Å; Y190-K211 WeakPolarHBondContact O-CG 3.44Å; Y190-K211 PolarHBondContact O-N 2.87Å; Y190-L552 HydrophobicContact CE1-CB 3.47Å; Y190-L552 VanDerWaalsContact CE1-CB 3.47Å; Y190-L552 HydrophobicContact CE1-CD1 3.83Å; Y190-L552 HydrophobicContact CE1-CD2 4.28Å; Y190-L552 HydrophobicContact CE1-CG 4.06Å; Y190-L552 HydrophobicContact CE2-CB 4.46Å; Y190-L552 WeakPolarHBondContact OH-CB 3.46Å; Y190-L553 HydrophobicContact CE2-CD2 3.9Å
191	F	95.4	Very high	90.3	Very high	19 Å²	19	48.2 Å²	48.2	8%	0.083	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146.9	-169.6	-58.3	-78.3	0	0	0	111.3	V186 D188 K189 V208 Q209 A210 K211 Y256 F258 V267	V186-F191 HydrophobicContact CG1-CE2 3.83Å; V186-F191 HydrophobicContact CG1-CZ 4.31Å; D188-F191 PolarHBondContact O-N 3.26Å; D188-F191 VanDerWaalsContact O-N 3.14Å; K189-F191 PolarHBondContact O-N 3.43Å; F191-V208 HydrophobicContact CB-CB 4.23Å; F191-V208 HydrophobicContact CD1-CG2 4.02Å; F191-V208 HydrophobicContact CG-CG2 4.46Å; F191-Q209 CarbonylContact C-O 3.58Å; F191-Q209 VanDerWaalsContact CA-O 3.31Å; F191-Q209 WeakPolarHBondContact CA-O 3.41Å; F191-A210 HydrophobicContact CD1-CB 4.32Å; F191-A210 HydrophobicContact CE1-CB 4.13Å; F191-K211 VanDerWaalsContact O-CE 3.25Å; F191-K211 WeakPolarHBondContact O-CE 3.36Å; F191-Y256 HydrophobicContact CE1-CD2 4.09Å; F191-Y256 HydrophobicContact CE1-CE2 4.14Å; F191-Y256 HydrophobicContact CZ-CD1 4.27Å; F191-Y256 AromaticContact CZ-CD2 3.68Å; F191-Y256 HydrophobicContact CZ-CD2 3.68Å; F191-Y256 HydrophobicContact CZ-CE2 4.01Å; F191-Y256 AromaticContact CZ-CG 3.82Å; F191-Y256 HydrophobicContact CZ-CG 3.82Å; F191-F258 AromaticContact CD2-CE1 3.79Å; F191-F258 HydrophobicContact CD2-CE1 3.79Å; F191-F258 AromaticContact CD2-CZ 3.94Å; F191-F258 HydrophobicContact CD2-CZ 3.94Å; F191-F258 HydrophobicContact CE2-CD1 4.08Å; F191-F258 AromaticContact CE2-CE1 3.49Å; F191-F258 HydrophobicContact CE2-CE1 3.49Å; F191-F258 VanDerWaalsContact CE2-CE1 3.49Å; F191-F258 HydrophobicContact CE2-CZ 4.1Å; F191-F258 HydrophobicContact CZ-CE1 4.43Å; F191-V267 HydrophobicContact CE1-CG1 3.99Å; F191-V267 HydrophobicContact CE1-CG2 4.24Å; F191-V267 HydrophobicContact CE2-CG2 4.12Å; F191-V267 HydrophobicContact CZ-CG1 4.29Å; F191-V267 HydrophobicContact CZ-CG2 3.89Å
192	T	94.6	Very high	89.9	Confident	46 Å²	46	50 Å²	50	28%	0.282	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.4	164.8	-51.2	0	0	0	0	107.4	F194 V208 Q209 K211	T192-F194 HydrophobicContact CG2-CE2 4.02Å; T192-F194 HydrophobicContact CG2-CZ 4.03Å; T192-F194 WeakPolarHBondContact O-CD2 3.19Å; T192-F194 WeakPolarHBondContact O-CE2 3.37Å; T192-V208 CarbonylContact O-C 3.25Å; T192-V208 WeakPolarHBondContact O-CA 3.43Å; T192-Q209 PolarHBondContact N-O 2.94Å; T192-Q209 PolarHBondContact O-N 2.93Å; T192-K211 VanDerWaalsContact OG1-CE 3.25Å; T192-K211 WeakPolarHBondContact OG1-CE 3.31Å; T192-K211 WeakPolarHBondContact OG1-CG 3.44Å
193	E	93.9	Very high	89.6	Confident	93 Å²	93	49.9 Å²	49.9	44%	0.435	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	144.6	-178	178	171	-172.4	0	0	111.6	C206 V208 K221	E193-C206 HydrophobicContact CG-CB 4.23Å; E193-C206 PolarHBondContact OE1-SG 3.43Å; E193-V208 HydrophobicContact CB-CG1 4.32Å; E193-V208 HydrophobicContact CG-CG1 4.48Å; E193-K221 IonicContact OE1-NZ 3.28Å; E193-K221 PolarHBondContact OE1-NZ 3.36Å; E193-K221 IonicContact OE2-NZ 3.56Å; E193-K221 PolarHBondContact OE2-NZ 3.44Å
194	F	90.6	Very high	89.5	Confident	60 Å²	60	46 Å²	46	26%	0.263	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-98.5	-177.1	-65	-92.9	0	0	0	111.3	A19 T192 A207 Q209 M216	A19-F194 HydrophobicContact CB-CD1 3.85Å; A19-F194 HydrophobicContact CB-CE1 3.47Å; A19-F194 VanDerWaalsContact CB-CE1 3.47Å; A19-F194 HydrophobicContact CB-CE2 4.28Å; A19-F194 HydrophobicContact CB-CG 4.39Å; A19-F194 HydrophobicContact CB-CZ 3.7Å; T192-F194 HydrophobicContact CG2-CE2 4.02Å; T192-F194 HydrophobicContact CG2-CZ 4.03Å; T192-F194 WeakPolarHBondContact O-CD2 3.19Å; T192-F194 WeakPolarHBondContact O-CE2 3.37Å; F194-A207 HydrophobicContact CB-CB 4.4Å; F194-A207 PolarHBondContact N-O 3.24Å; F194-Q209 HydrophobicContact CD2-CB 4.48Å; F194-Q209 HydrophobicContact CE2-CB 3.57Å; F194-Q209 HydrophobicContact CZ-CB 4.3Å; F194-M216 HydrophobicContact CD2-CE 4.27Å
195	R	87.8	Confident	89.6	Confident	3 Å²	3	46.3 Å²	46.3	1%	0.011	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	141	-170.6	170	171.9	176	-166.9	-4.6	111.7	A12 N13 Y16 L197 C206 A207 K481 I483	A12-R195 HydrophobicContact CB-CB 4.46Å; A12-R195 HydrophobicContact CB-CG 4.48Å; N13-R195 VanDerWaalsContact CG-NH1 3.33Å; N13-R195 VanDerWaalsContact OD1-CD 3.22Å; N13-R195 WeakPolarHBondContact OD1-CD 3.4Å; N13-R195 PolarHBondContact OD1-NE 3.26Å; N13-R195 PolarHBondContact OD1-NH1 3.26Å; Y16-R195 HydrophobicContact CG-CB 4.21Å; R195-L197 PolarHBondContact O-N 3.23Å; R195-C206 CarbonylContact O-C 3.56Å; R195-C206 VanDerWaalsContact O-CA 3.26Å; R195-C206 WeakPolarHBondContact O-CA 3.37Å; R195-A207 PolarHBondContact O-N 3.05Å; R195-K481 PolarHBondContact NH2-O 2.92Å; R195-I483 HydrophobicContact CG-CD1 4.29Å
196	V	89.5	Confident	89.7	Confident	28 Å²	28	42.4 Å²	42.4	17%	0.17	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	123.5	165.1	179.7	0	0	0	0	109.6	E204 I486	V196-E204 HydrophobicContact CG1-CB 4.42Å; V196-I486 HydrophobicContact CG1-CD1 4.36Å
197	L	87.4	Confident	89.8	Confident	41 Å²	41	41.3 Å²	41.3	22%	0.215	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-30.2	-179.2	-57.5	176.9	0	0	0	111.7	R195 V205 A207 A218 L270	R195-L197 PolarHBondContact O-N 3.23Å; L197-V205 HydrophobicContact CB-CG1 4.48Å; L197-V205 HydrophobicContact CD1-CG1 4.44Å; L197-V205 PolarHBondContact N-O 3.41Å; L197-A207 HydrophobicContact CD1-CB 4.18Å; L197-A207 HydrophobicContact CD2-CB 4.28Å; L197-A207 HydrophobicContact CG-CB 4.32Å; L197-A218 HydrophobicContact CD1-CB 4.29Å; L197-L270 HydrophobicContact CD1-CD1 3.52Å
198	G	84.6	Confident	89.9	Confident	24 Å²	24	40.3 Å²	40.3	25%	0.247	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	168.3	178.3	0	0	0	0	0	113.1	E204 V205	G198-E204 WeakPolarHBondContact O-CA 3.24Å; G198-V205 PolarHBondContact N-O 3.41Å; G198-V205 PolarHBondContact O-N 2.93Å
199	K	83.3	Confident	90	Very high	64 Å²	64	37.9 Å²	37.9	28%	0.278	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.9	175.4	-79.5	-175.9	-167.5	156.3	0	110.4	E204 I486 D487 D488 F489	K199-E204 HydrophobicContact CG-CB 3.93Å; K199-I486 HydrophobicContact CB-CG2 3.86Å; K199-I486 HydrophobicContact CD-CG2 3.33Å; K199-I486 HydrophobicContact CG-CG2 3.39Å; K199-I486 PolarHBondContact NZ-O 3.41Å; K199-D487 WeakPolarHBondContact CD-O 3.38Å; K199-D487 WeakPolarHBondContact CE-O 3.31Å; K199-D487 VanDerWaalsContact NZ-C 3.31Å; K199-D487 PolarHBondContact NZ-O 3.41Å; K199-D488 IonicContact NZ-OD1 2.74Å; K199-D488 PolarHBondContact NZ-OD1 2.88Å; K199-F489 HydrophobicContact CB-CE2 4.07Å; K199-F489 HydrophobicContact CB-CZ 3.75Å; K199-F489 HydrophobicContact CD-CD2 4.07Å; K199-F489 HydrophobicContact CD-CE2 3.63Å; K199-F489 HydrophobicContact CD-CZ 3.94Å; K199-F489 HydrophobicContact CG-CE2 3.75Å; K199-F489 HydrophobicContact CG-CZ 3.97Å
200	G	78.1	Confident	90.1	Very high	37 Å²	37	32 Å²	32	38%	0.381	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	-175	180	0	0	0	0	0	113.1	F202 G203 F489	G200-F202 PolarHBondContact O-N 3.44Å; G200-F202 VanDerWaalsContact O-N 3.15Å; G200-G203 PolarHBondContact N-O 3.12Å; G200-F489 WeakPolarHBondContact O-CZ 3.31Å
201	G	79.7	Confident	90	Very high	46 Å²	46	34 Å²	34	47%	0.474	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.1	-174.2	0	0	0	0	0	115.3	K230	G201-K230 PolarHBondContact O-NZ 2.58Å
202	F	85.8	Confident	89.8	Confident	44 Å²	44	34.6 Å²	34.6	19%	0.193	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-1.3	-172.4	-58.3	-73.9	0	0	0	114.2	G200 L222 D223 L227 K230 M235	G200-F202 PolarHBondContact O-N 3.44Å; G200-F202 VanDerWaalsContact O-N 3.15Å; F202-L222 HydrophobicContact CB-CD2 3.92Å; F202-D223 PolarHBondContact O-N 2.95Å; F202-L227 HydrophobicContact CB-CD1 4.34Å; F202-L227 HydrophobicContact CD1-CD1 3.74Å; F202-L227 HydrophobicContact CE1-CD1 4.14Å; F202-L227 HydrophobicContact CG-CD1 3.97Å; F202-K230 HydrophobicContact CD1-CB 4.47Å; F202-K230 HydrophobicContact CD1-CD 4.09Å; F202-K230 HydrophobicContact CE1-CB 3.78Å; F202-K230 HydrophobicContact CE1-CD 3.83Å; F202-K230 HydrophobicContact CE1-CG 4.46Å; F202-M235 HydrophobicContact CE2-SD 3.71Å; F202-M235 HydrophobicContact CZ-SD 4.17Å
203	G	88.7	Confident	89.7	Confident	9 Å²	9	32.9 Å²	32.9	9%	0.093	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.7	-146.5	-179.1	0	0	0	0	0	111.3	G200 K221 F489	G200-G203 PolarHBondContact N-O 3.12Å; G203-K221 CarbonylContact C-O 3.54Å; G203-K221 VanDerWaalsContact CA-O 3.27Å; G203-K221 WeakPolarHBondContact CA-O 3.49Å; G203-F489 VanDerWaalsContact O-CE2 3.29Å; G203-F489 WeakPolarHBondContact O-CE2 3.49Å; G203-F489 VanDerWaalsContact O-CZ 3.23Å; G203-F489 WeakPolarHBondContact O-CZ 3.33Å
204	E	91.6	Very high	89.6	Confident	46 Å²	46	29.5 Å²	29.5	22%	0.215	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	163.5	-169.7	69.8	-167.1	167.2	0	0	112.4	V196 G198 K199 K221	V196-E204 HydrophobicContact CG1-CB 4.42Å; G198-E204 WeakPolarHBondContact O-CA 3.24Å; K199-E204 HydrophobicContact CG-CB 3.93Å; E204-K221 HydrophobicContact CG-CB 4.44Å; E204-K221 HydrophobicContact CG-CD 4.44Å; E204-K221 PolarHBondContact N-O 3.4Å; E204-K221 PolarHBondContact O-N 3.23Å
205	V	93.3	Very high	89.7	Confident	38 Å²	38	29.8 Å²	29.8	23%	0.23	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.6	172.9	-176.2	0	0	0	0	107.5	L197 G198 A218 C219 K220	L197-V205 HydrophobicContact CB-CG1 4.48Å; L197-V205 HydrophobicContact CD1-CG1 4.44Å; L197-V205 PolarHBondContact N-O 3.41Å; G198-V205 PolarHBondContact N-O 3.41Å; G198-V205 PolarHBondContact O-N 2.93Å; V205-A218 HydrophobicContact CG1-CB 4Å; V205-C219 WeakPolarHBondContact CA-O 3.37Å; V205-K220 HydrophobicContact CG2-CB 4.13Å; V205-K220 HydrophobicContact CG2-CG 4.03Å
206	C	93.9	Very high	90.1	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151.7	176.4	59.9	0	0	0	0	112.2	E193 R195 A218 C219	E193-C206 HydrophobicContact CG-CB 4.23Å; E193-C206 PolarHBondContact OE1-SG 3.43Å; R195-C206 CarbonylContact O-C 3.56Å; R195-C206 VanDerWaalsContact O-CA 3.26Å; R195-C206 WeakPolarHBondContact O-CA 3.37Å; C206-A218 CarbonylContact O-C 3.59Å; C206-A218 WeakPolarHBondContact O-CA 3.49Å; C206-C219 PolarHBondContact N-O 2.93Å; C206-C219 PolarHBondContact O-N 3.45Å
207	A	94.8	Very high	90.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131	168.9	0	0	0	0	0	109.4	Y16 F194 R195 L197 M216 Y217	Y16-A207 HydrophobicContact CD2-CB 3.72Å; Y16-A207 HydrophobicContact CE2-CB 3.55Å; F194-A207 HydrophobicContact CB-CB 4.4Å; F194-A207 PolarHBondContact N-O 3.24Å; R195-A207 PolarHBondContact O-N 3.05Å; L197-A207 HydrophobicContact CD1-CB 4.18Å; L197-A207 HydrophobicContact CD2-CB 4.28Å; L197-A207 HydrophobicContact CG-CB 4.32Å; A207-M216 HydrophobicContact CB-CE 4.49Å; A207-Y217 WeakPolarHBondContact CA-O 3.44Å
208	V	96	Very high	90.9	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.1	177.6	-57.9	0	0	0	0	110.8	F191 T192 E193 M216 Y217 C219 V267	F191-V208 HydrophobicContact CB-CB 4.23Å; F191-V208 HydrophobicContact CD1-CG2 4.02Å; F191-V208 HydrophobicContact CG-CG2 4.46Å; T192-V208 CarbonylContact O-C 3.25Å; T192-V208 WeakPolarHBondContact O-CA 3.43Å; E193-V208 HydrophobicContact CB-CG1 4.32Å; E193-V208 HydrophobicContact CG-CG1 4.48Å; V208-M216 CarbonylContact O-C 3.59Å; V208-M216 WeakPolarHBondContact O-CA 3.15Å; V208-Y217 PolarHBondContact N-O 3.39Å; V208-Y217 PolarHBondContact O-N 2.86Å; V208-C219 HydrophobicContact CB-CB 4.35Å; V208-C219 HydrophobicContact CG1-CB 3.54Å; V208-C219 HydrophobicContact CG2-CB 3.81Å; V208-V267 HydrophobicContact CG2-CG1 4.27Å
209	Q	95.3	Very high	91.5	Very high	41 Å²	41	27.6 Å²	27.6	19%	0.192	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.5	174	-167.4	-179.5	47.6	0	0	110.4	F191 T192 F194 K211 G214 K215 M216	F191-Q209 CarbonylContact C-O 3.58Å; F191-Q209 VanDerWaalsContact CA-O 3.31Å; F191-Q209 WeakPolarHBondContact CA-O 3.41Å; T192-Q209 PolarHBondContact N-O 2.94Å; T192-Q209 PolarHBondContact O-N 2.93Å; F194-Q209 HydrophobicContact CD2-CB 4.48Å; F194-Q209 HydrophobicContact CE2-CB 3.57Å; F194-Q209 HydrophobicContact CZ-CB 4.3Å; Q209-K211 PolarHBondContact O-N 3.21Å; Q209-G214 WeakPolarHBondContact CG-O 3.46Å; Q209-G214 PolarHBondContact NE2-O 3.22Å; Q209-K215 CarbonylContact C-O 3.54Å; Q209-K215 WeakPolarHBondContact CA-O 3.5Å; Q209-M216 HydrophobicContact CB-SD 3.56Å; Q209-M216 VanDerWaalsContact CB-SD 3.56Å; Q209-M216 HydrophobicContact CG-SD 3.69Å
210	A	95	Very high	92.1	Very high	6 Å²	6	26 Å²	26	5%	0.05	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	120.4	170.4	0	0	0	0	0	109.8	F191 N212 T213 G214 K215 Y217 E520	F191-A210 HydrophobicContact CD1-CB 4.32Å; F191-A210 HydrophobicContact CE1-CB 4.13Å; A210-N212 VanDerWaalsContact C-N 3.28Å; A210-N212 PolarHBondContact O-N 3.48Å; A210-T213 VanDerWaalsContact CB-OG1 3.23Å; A210-T213 WeakPolarHBondContact CB-OG1 3.49Å; A210-T213 PolarHBondContact O-N 3.43Å; A210-G214 WeakPolarHBondContact O-CA 3.4Å; A210-G214 PolarHBondContact O-N 2.69Å; A210-K215 PolarHBondContact N-O 3.2Å; A210-Y217 HydrophobicContact CB-CE2 4.46Å; A210-E520 VanDerWaalsContact CB-OE1 3.29Å; A210-E520 WeakPolarHBondContact CB-OE1 3.33Å
211	K	91.8	Very high	93	Very high	65 Å²	65	25.7 Å²	25.7	28%	0.283	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.7	-167.5	-76.9	-176	-173.8	164.7	0	115.1	R33 K189 Y190 F191 T192 Q209	R33-K211 WeakPolarHBondContact CD-O 3.45Å; R33-K211 VanDerWaalsContact NH1-CB 3.3Å; R33-K211 PolarHBondContact NH1-O 2.93Å; R33-K211 VanDerWaalsContact NH1-O 3.1Å; K189-K211 VanDerWaalsContact O-CD 3.31Å; K189-K211 WeakPolarHBondContact O-CD 3.38Å; K189-K211 VanDerWaalsContact O-CE 3.3Å; K189-K211 WeakPolarHBondContact O-CE 3.42Å; K189-K211 PolarHBondContact O-NZ 2.9Å; Y190-K211 WeakPolarHBondContact O-CB 3.45Å; Y190-K211 WeakPolarHBondContact O-CG 3.44Å; Y190-K211 PolarHBondContact O-N 2.87Å; F191-K211 VanDerWaalsContact O-CE 3.25Å; F191-K211 WeakPolarHBondContact O-CE 3.36Å; T192-K211 VanDerWaalsContact OG1-CE 3.25Å; T192-K211 WeakPolarHBondContact OG1-CE 3.31Å; T192-K211 WeakPolarHBondContact OG1-CG 3.44Å; Q209-K211 PolarHBondContact O-N 3.21Å
212	N	90.4	Very high	93.7	Very high	31 Å²	31	23.8 Å²	23.8	17%	0.166	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-22.5	-172.1	-69.2	-19.7	0	0	0	113	L30 R34 L37 A210 L552	L30-N212 VanDerWaalsContact CD1-O 3.31Å; L30-N212 WeakPolarHBondContact CD1-O 3.49Å; R34-N212 WeakPolarHBondContact CG-O 3Å; R34-N212 PolarHBondContact NE-O 3.41Å; L37-N212 HydrophobicContact CD1-CB 4.04Å; A210-N212 VanDerWaalsContact C-N 3.28Å; A210-N212 PolarHBondContact O-N 3.48Å; N212-L552 WeakPolarHBondContact ND2-CD2 3.28Å
213	T	92.1	Very high	94.2	Very high	10 Å²	10	23.5 Å²	23.5	6%	0.061	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-27.4	-179.3	61.2	0	0	0	0	111.7	R34 A210 K215 E520 I521 L526	R34-T213 PolarHBondContact NH2-O 3.13Å; A210-T213 VanDerWaalsContact CB-OG1 3.23Å; A210-T213 WeakPolarHBondContact CB-OG1 3.49Å; A210-T213 PolarHBondContact O-N 3.43Å; T213-K215 PolarHBondContact OG1-N 3.1Å; T213-E520 VanDerWaalsContact CB-OE1 3.24Å; T213-E520 WeakPolarHBondContact CB-OE1 3.34Å; T213-E520 HydrophobicContact CG2-CG 4.05Å; T213-E520 WeakPolarHBondContact CG2-OE1 3.32Å; T213-E520 PolarHBondContact OG1-OE1 2.68Å; T213-I521 HydrophobicContact CG2-CD1 4.12Å; T213-L526 HydrophobicContact CG2-CD2 4.01Å
214	G	91.8	Very high	94.6	Very high	22 Å²	22	23.5 Å²	23.5	23%	0.227	12%	0.121	C	C	.	.			trans	79.9	0.7	-172.3	0	0	0	0	0	113.3	Q209 A210	Q209-G214 WeakPolarHBondContact CG-O 3.46Å; Q209-G214 PolarHBondContact NE2-O 3.22Å; A210-G214 WeakPolarHBondContact O-CA 3.4Å; A210-G214 PolarHBondContact O-N 2.69Å
215	K	93.8	Very high	94.7	Very high	67 Å²	67	25 Å²	25	29%	0.291	13%	0.127	S	C	.	.			trans	-69.1	132.9	-177.7	-174.5	72.5	177.1	-169.5	0	110.9	Q209 A210 T213 Y217 E520 E523 T524	Q209-K215 CarbonylContact C-O 3.54Å; Q209-K215 WeakPolarHBondContact CA-O 3.5Å; A210-K215 PolarHBondContact N-O 3.2Å; T213-K215 PolarHBondContact OG1-N 3.1Å; K215-Y217 HydrophobicContact CB-CD2 4.44Å; K215-Y217 HydrophobicContact CB-CE2 3.78Å; K215-Y217 HydrophobicContact CG-CD2 4.09Å; K215-Y217 HydrophobicContact CG-CE1 4.36Å; K215-Y217 HydrophobicContact CG-CE2 3.38Å; K215-E520 HydrophobicContact CB-CG 3.72Å; K215-E520 HydrophobicContact CG-CG 3.94Å; K215-E523 IonicContact NZ-OE2 2.64Å; K215-E523 PolarHBondContact NZ-OE2 2.84Å; K215-T524 HydrophobicContact CB-CG2 3.99Å
216	M	94.3	Very high	94.8	Very high	27 Å²	27	24.4 Å²	24.4	13%	0.133	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	139.7	175.9	-64.6	-65.6	-69.8	0	0	111.2	Y16 A19 F194 A207 V208 Q209 L270	Y16-M216 HydrophobicContact CD2-CE 4.34Å; Y16-M216 HydrophobicContact CE2-CE 4.38Å; A19-M216 HydrophobicContact CB-CE 3.96Å; A19-M216 HydrophobicContact CB-SD 4.11Å; F194-M216 HydrophobicContact CD2-CE 4.27Å; A207-M216 HydrophobicContact CB-CE 4.49Å; V208-M216 CarbonylContact O-C 3.59Å; V208-M216 WeakPolarHBondContact O-CA 3.15Å; Q209-M216 HydrophobicContact CB-SD 3.56Å; Q209-M216 VanDerWaalsContact CB-SD 3.56Å; Q209-M216 HydrophobicContact CG-SD 3.69Å; M216-L270 HydrophobicContact CB-CD2 3.7Å; M216-L270 HydrophobicContact CE-CD2 4.38Å
217	Y	97	Very high	94.8	Very high	12 Å²	12	24.5 Å²	24.5	5%	0.047	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	164.6	-180	-72	-75.4	0	0	0	111.4	A207 V208 A210 K215 A255 Y256 V267 M268 E520	A207-Y217 WeakPolarHBondContact CA-O 3.44Å; V208-Y217 PolarHBondContact N-O 3.39Å; V208-Y217 PolarHBondContact O-N 2.86Å; A210-Y217 HydrophobicContact CB-CE2 4.46Å; K215-Y217 HydrophobicContact CB-CD2 4.44Å; K215-Y217 HydrophobicContact CB-CE2 3.78Å; K215-Y217 HydrophobicContact CG-CD2 4.09Å; K215-Y217 HydrophobicContact CG-CE1 4.36Å; K215-Y217 HydrophobicContact CG-CE2 3.38Å; Y217-A255 HydrophobicContact CD1-CB 4.22Å; Y217-A255 HydrophobicContact CE1-CB 3.56Å; Y217-Y256 HydrophobicContact CE2-CE2 4.15Å; Y217-V267 HydrophobicContact CD1-CG1 4.02Å; Y217-V267 HydrophobicContact CD2-CG1 3.94Å; Y217-V267 HydrophobicContact CG-CG1 3.52Å; Y217-M268 WeakPolarHBondContact CD1-O 3.38Å; Y217-E520 HydrophobicContact CE2-CG 4.41Å; Y217-E520 WeakPolarHBondContact CE2-OE2 3.36Å; Y217-E520 VanDerWaalsContact OH-CB 3.31Å; Y217-E520 WeakPolarHBondContact OH-CB 3.35Å; Y217-E520 VanDerWaalsContact OH-CD 3.27Å; Y217-E520 WeakPolarHBondContact OH-CG 3.49Å; Y217-E520 PolarHBondContact OH-OE2 3.33Å
218	A	96.9	Very high	94.8	Very high	7 Å²	7	27.3 Å²	27.3	6%	0.058	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.3	161.1	0	0	0	0	0	109.1	L197 V205 C206 V267 M268 L270	L197-A218 HydrophobicContact CD1-CB 4.29Å; V205-A218 HydrophobicContact CG1-CB 4Å; C206-A218 CarbonylContact O-C 3.59Å; C206-A218 WeakPolarHBondContact O-CA 3.49Å; A218-V267 CarbonylContact O-C 3.55Å; A218-V267 WeakPolarHBondContact O-CA 3.46Å; A218-M268 HydrophobicContact CB-CG 4.01Å; A218-M268 PolarHBondContact N-O 3.01Å; A218-M268 PolarHBondContact O-N 3.48Å; A218-L270 HydrophobicContact CB-CD1 4.03Å
219	C	97.5	Very high	94.6	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.02	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	106.3	176.9	-175.1	0	0	0	0	109.4	V205 C206 V208 K221 L266	V205-C219 WeakPolarHBondContact CA-O 3.37Å; C206-C219 PolarHBondContact N-O 2.93Å; C206-C219 PolarHBondContact O-N 3.45Å; V208-C219 HydrophobicContact CB-CB 4.35Å; V208-C219 HydrophobicContact CG1-CB 3.54Å; V208-C219 HydrophobicContact CG2-CB 3.81Å; C219-K221 PolarHBondContact O-N 3.4Å; C219-L266 CarbonylContact C-O 3.55Å; C219-L266 WeakPolarHBondContact CA-O 3.49Å
220	K	96.3	Very high	94.5	Very high	31 Å²	31	38 Å²	38	14%	0.135	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	107.7	171	-171.8	-179.9	-164.7	-176.6	0	108.1	V205 L222 E239 C265 L266 M268 D334	V205-K220 HydrophobicContact CG2-CB 4.13Å; V205-K220 HydrophobicContact CG2-CG 4.03Å; K220-L222 HydrophobicContact CD-CD2 4.41Å; K220-L222 HydrophobicContact CG-CD2 4.12Å; K220-E239 IonicContact NZ-OE1 3.91Å; K220-E239 PolarHBondContact NZ-OE1 3.44Å; K220-E239 IonicContact NZ-OE2 2.84Å; K220-E239 PolarHBondContact NZ-OE2 2.97Å; K220-C265 WeakPolarHBondContact O-CA 3.33Å; K220-L266 HydrophobicContact CB-CB 4.31Å; K220-L266 PolarHBondContact N-O 2.94Å; K220-L266 PolarHBondContact O-N 2.96Å; K220-M268 HydrophobicContact CB-CE 3.64Å; K220-M268 HydrophobicContact CD-CE 4.18Å; K220-D334 IonicContact NZ-OD1 3.28Å; K220-D334 PolarHBondContact NZ-OD1 2.97Å
221	K	96.3	Very high	94.4	Very high	31 Å²	31	40.3 Å²	40.3	14%	0.135	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119	179.1	-66.7	176.6	165.9	-178	0	110	E193 G203 E204 C219 H263	E193-K221 IonicContact OE1-NZ 3.28Å; E193-K221 PolarHBondContact OE1-NZ 3.36Å; E193-K221 IonicContact OE2-NZ 3.56Å; E193-K221 PolarHBondContact OE2-NZ 3.44Å; G203-K221 CarbonylContact C-O 3.54Å; G203-K221 VanDerWaalsContact CA-O 3.27Å; G203-K221 WeakPolarHBondContact CA-O 3.49Å; E204-K221 HydrophobicContact CG-CB 4.44Å; E204-K221 HydrophobicContact CG-CD 4.44Å; E204-K221 PolarHBondContact N-O 3.4Å; E204-K221 PolarHBondContact O-N 3.23Å; C219-K221 PolarHBondContact O-N 3.4Å; K221-H263 HydrophobicContact CB-CB 4.39Å
222	L	95.8	Very high	94.4	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.1	177.9	-50.4	174.3	0	0	0	108.8	F202 K220 K224 A236 H263 L264 F508	F202-L222 HydrophobicContact CB-CD2 3.92Å; K220-L222 HydrophobicContact CD-CD2 4.41Å; K220-L222 HydrophobicContact CG-CD2 4.12Å; L222-K224 PolarHBondContact O-N 3.24Å; L222-A236 HydrophobicContact CD1-CB 3.71Å; L222-H263 CarbonylContact O-C 3.5Å; L222-H263 VanDerWaalsContact O-CA 3.22Å; L222-H263 WeakPolarHBondContact O-CA 3.39Å; L222-L264 HydrophobicContact CB-CB 4.31Å; L222-L264 PolarHBondContact N-O 2.86Å; L222-L264 PolarHBondContact O-N 3.45Å; L222-F508 HydrophobicContact CD1-CZ 4.34Å
223	D	95.6	Very high	94.5	Very high	39 Å²	39	38.1 Å²	38.1	21%	0.209	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	122.1	178.6	174.4	-84	0	0	0	110.1	F202 K225 R226 L227	F202-D223 PolarHBondContact O-N 2.95Å; D223-K225 VanDerWaalsContact C-N 3.32Å; D223-K225 PolarHBondContact O-N 2.9Å; D223-K225 WeakPolarHBondContact OD1-CA 3.29Å; D223-K225 WeakPolarHBondContact OD1-CB 3.31Å; D223-K225 PolarHBondContact OD1-N 3.48Å; D223-R226 HydrophobicContact CB-CB 3.93Å; D223-R226 PolarHBondContact O-N 2.88Å; D223-R226 VanDerWaalsContact OD1-CB 3.24Å; D223-R226 WeakPolarHBondContact OD1-CB 3.49Å; D223-R226 PolarHBondContact OD1-N 2.8Å; D223-L227 WeakPolarHBondContact O-CB 3.37Å; D223-L227 PolarHBondContact O-N 2.97Å
224	K	96.2	Very high	94.5	Very high	9 Å²	9	46.3 Å²	46.3	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-38.7	-173.5	-72.6	175.3	168.6	-179.8	0	112.6	L222 K228 E259 S260 T262 L264 F497 F505	L222-K224 PolarHBondContact O-N 3.24Å; K224-K228 PolarHBondContact O-N 2.61Å; K224-K228 VanDerWaalsContact O-N 3.11Å; K224-E259 IonicContact NZ-OE2 2.74Å; K224-E259 PolarHBondContact NZ-OE2 3.26Å; K224-S260 PolarHBondContact NZ-O 3.32Å; K224-T262 WeakPolarHBondContact CB-O 3.33Å; K224-T262 WeakPolarHBondContact CG-O 3.46Å; K224-T262 PolarHBondContact N-O 3.46Å; K224-L264 HydrophobicContact CG-CG 4.21Å; K224-F497 HydrophobicContact CB-CE1 3.95Å; K224-F497 HydrophobicContact CB-CE2 4.23Å; K224-F497 HydrophobicContact CB-CZ 3.44Å; K224-F497 VanDerWaalsContact CB-CZ 3.44Å; K224-F505 HydrophobicContact CB-CE1 4.25Å; K224-F505 HydrophobicContact CB-CZ 4.02Å; K224-F505 HydrophobicContact CD-CD1 4.38Å; K224-F505 HydrophobicContact CD-CD2 4.18Å; K224-F505 HydrophobicContact CD-CE1 4.09Å; K224-F505 HydrophobicContact CD-CE2 3.89Å; K224-F505 HydrophobicContact CD-CG 4.43Å; K224-F505 HydrophobicContact CD-CZ 3.85Å; K224-F505 HydrophobicContact CG-CD1 4.42Å; K224-F505 HydrophobicContact CG-CE1 3.9Å; K224-F505 HydrophobicContact CG-CZ 3.96Å
225	K	95.2	Very high	94.4	Very high	78 Å²	78	48.7 Å²	48.7	34%	0.339	24%	0.235	S	C	.	.	H	α-helix	trans	-70	-41.5	-178.5	-68	-175.6	177.6	173.6	0	111.1	D223 K229 V492 V495 F497	D223-K225 VanDerWaalsContact C-N 3.32Å; D223-K225 PolarHBondContact O-N 2.9Å; D223-K225 WeakPolarHBondContact OD1-CA 3.29Å; D223-K225 WeakPolarHBondContact OD1-CB 3.31Å; D223-K225 PolarHBondContact OD1-N 3.48Å; K225-K229 WeakPolarHBondContact O-CB 3.25Å; K225-K229 PolarHBondContact O-N 3.04Å; K225-V492 HydrophobicContact CB-CB 4.08Å; K225-V492 HydrophobicContact CB-CG1 3.95Å; K225-V492 VanDerWaalsContact CD-O 3.29Å; K225-V492 WeakPolarHBondContact CD-O 3.49Å; K225-V495 HydrophobicContact CB-CB 4.05Å; K225-V495 HydrophobicContact CB-CG1 4.22Å; K225-V495 HydrophobicContact CB-CG2 4.37Å; K225-V495 HydrophobicContact CD-CB 4.37Å; K225-V495 HydrophobicContact CG-CB 4.06Å; K225-V495 HydrophobicContact CG-CG1 4.27Å; K225-F497 HydrophobicContact CG-CE1 4.44Å; K225-F497 HydrophobicContact CG-CE2 4.38Å; K225-F497 HydrophobicContact CG-CZ 3.7Å
226	R	94	Very high	94.4	Very high	25 Å²	25	45.8 Å²	45.8	9%	0.094	22%	0.223	C	C	.	.	H	α-helix	trans	-66.4	-41.2	177	-178.4	173.3	-71.2	-120	-10.1	111.5	D223 K229 K230 F489 S490 V492	D223-R226 HydrophobicContact CB-CB 3.93Å; D223-R226 PolarHBondContact O-N 2.88Å; D223-R226 VanDerWaalsContact OD1-CB 3.24Å; D223-R226 WeakPolarHBondContact OD1-CB 3.49Å; D223-R226 PolarHBondContact OD1-N 2.8Å; R226-K229 PolarHBondContact O-N 3.38Å; R226-K230 HydrophobicContact CG-CD 4.27Å; R226-K230 WeakPolarHBondContact O-CB 3.47Å; R226-K230 WeakPolarHBondContact O-CG 3.44Å; R226-K230 PolarHBondContact O-N 2.87Å; R226-K230 VanDerWaalsContact O-N 3.07Å; R226-F489 VanDerWaalsContact NH1-CE1 3.31Å; R226-S490 PolarHBondContact NH2-O 2.86Å; R226-V492 HydrophobicContact CB-CG2 4.19Å
227	L	94	Very high	94.4	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-59.2	-50.6	176	-165	70.5	0	0	0	110.4	F202 D223 K230 G231 G232 E233 A236 L264 F504	F202-L227 HydrophobicContact CB-CD1 4.34Å; F202-L227 HydrophobicContact CD1-CD1 3.74Å; F202-L227 HydrophobicContact CE1-CD1 4.14Å; F202-L227 HydrophobicContact CG-CD1 3.97Å; D223-L227 WeakPolarHBondContact O-CB 3.37Å; D223-L227 PolarHBondContact O-N 2.97Å; L227-K230 PolarHBondContact O-N 3.12Å; L227-G231 PolarHBondContact O-N 2.85Å; L227-G232 VanDerWaalsContact CD1-C 3.49Å; L227-G232 WeakPolarHBondContact CD1-O 3.3Å; L227-G232 PolarHBondContact O-N 2.59Å; L227-E233 HydrophobicContact CD2-CG 4.36Å; L227-E233 HydrophobicContact CG-CG 4.31Å; L227-A236 HydrophobicContact CD1-CB 4.06Å; L227-A236 HydrophobicContact CD2-CB 4.1Å; L227-L264 HydrophobicContact CD2-CD1 3.87Å; L227-F504 HydrophobicContact CD2-CE1 3.74Å; L227-F504 HydrophobicContact CD2-CZ 3.85Å
228	K	94.8	Very high	94.2	Very high	60 Å²	60	47.9 Å²	47.9	26%	0.261	24%	0.235	S	C	.	.	H	α-helix	trans	-60.4	-48.1	176	-178.9	166.5	-176.5	171.2	0	112.8	K224 K230 G231 E233 V495 E496 F497 D498 D501	K224-K228 PolarHBondContact O-N 2.61Å; K224-K228 VanDerWaalsContact O-N 3.11Å; K228-K230 PolarHBondContact O-N 3.14Å; K228-G231 PolarHBondContact O-N 2.79Å; K228-E233 WeakPolarHBondContact CA-OE1 3.22Å; K228-V495 HydrophobicContact CB-CG1 4.16Å; K228-V495 HydrophobicContact CD-CG1 3.79Å; K228-V495 HydrophobicContact CG-CG1 4.12Å; K228-E496 PolarHBondContact NZ-O 3.01Å; K228-F497 HydrophobicContact CD-CD1 4.13Å; K228-F497 HydrophobicContact CD-CE1 4.39Å; K228-D498 IonicContact NZ-OD2 2.74Å; K228-D501 WeakPolarHBondContact CE-OD2 3.32Å; K228-D501 IonicContact NZ-OD1 3.56Å; K228-D501 IonicContact NZ-OD2 2.72Å; K228-D501 PolarHBondContact NZ-OD2 3.17Å
229	K	93.5	Very high	94.1	Very high	151 Å²	151	48 Å²	48	66%	0.657	23%	0.234	S	C	*	.	H	α-helix	trans	-59	-31.9	179.8	-178.6	172.4	178.1	177.5	0	113.1	K225 R226 V492 V495	K225-K229 WeakPolarHBondContact O-CB 3.25Å; K225-K229 PolarHBondContact O-N 3.04Å; R226-K229 PolarHBondContact O-N 3.38Å; K229-V492 HydrophobicContact CB-CG1 4.36Å; K229-V492 HydrophobicContact CD-CG1 3.74Å; K229-V495 HydrophobicContact CB-CG2 4.49Å
230	K	91.9	Very high	94	Very high	117 Å²	117	48.1 Å²	48.1	51%	0.509	24%	0.235	S	C	.	.	H	α-helix	trans	-97.9	-2.6	-177.9	-70.1	-174.9	177.9	-174	0	113.9	G201 F202 R226 L227 K228 G232	G201-K230 PolarHBondContact O-NZ 2.58Å; F202-K230 HydrophobicContact CD1-CB 4.47Å; F202-K230 HydrophobicContact CD1-CD 4.09Å; F202-K230 HydrophobicContact CE1-CB 3.78Å; F202-K230 HydrophobicContact CE1-CD 3.83Å; F202-K230 HydrophobicContact CE1-CG 4.46Å; R226-K230 HydrophobicContact CG-CD 4.27Å; R226-K230 WeakPolarHBondContact O-CB 3.47Å; R226-K230 WeakPolarHBondContact O-CG 3.44Å; R226-K230 PolarHBondContact O-N 2.87Å; R226-K230 VanDerWaalsContact O-N 3.07Å; L227-K230 PolarHBondContact O-N 3.12Å; K228-K230 PolarHBondContact O-N 3.14Å; K230-G232 VanDerWaalsContact C-N 3.31Å; K230-G232 PolarHBondContact O-N 3.39Å
231	G	92.7	Very high	94	Very high	55 Å²	55	50 Å²	50	57%	0.567	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	33.5	-175.1	0	0	0	0	0	113.5	L227 K228 E233	L227-G231 PolarHBondContact O-N 2.85Å; K228-G231 PolarHBondContact O-N 2.79Å; G231-E233 WeakPolarHBondContact CA-OE2 3.2Å
232	G	92.2	Very high	93.9	Very high	3 Å²	3	48.6 Å²	48.6	3%	0.031	24%	0.238	C	C	.	.			trans	-87.1	-0.4	-173.9	0	0	0	0	0	115.4	L227 K230 K234 M235 A236	L227-G232 VanDerWaalsContact CD1-C 3.49Å; L227-G232 WeakPolarHBondContact CD1-O 3.3Å; L227-G232 PolarHBondContact O-N 2.59Å; K230-G232 VanDerWaalsContact C-N 3.31Å; K230-G232 PolarHBondContact O-N 3.39Å; G232-K234 PolarHBondContact O-N 2.79Å; G232-M235 WeakPolarHBondContact O-CB 3.46Å; G232-M235 PolarHBondContact O-N 3.31Å; G232-M235 VanDerWaalsContact O-N 3.1Å; G232-A236 PolarHBondContact O-N 3.22Å
233	E	93.3	Very high	94	Very high	48 Å²	48	48.5 Å²	48.5	22%	0.224	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-45.4	-170.6	-58.1	92.2	147.1	0	0	112	L227 K228 G231 M235 A236 L237 F504	L227-E233 HydrophobicContact CD2-CG 4.36Å; L227-E233 HydrophobicContact CG-CG 4.31Å; K228-E233 WeakPolarHBondContact CA-OE1 3.22Å; G231-E233 WeakPolarHBondContact CA-OE2 3.2Å; E233-M235 VanDerWaalsContact C-N 3.3Å; E233-M235 PolarHBondContact O-N 3.31Å; E233-A236 PolarHBondContact O-N 3.41Å; E233-L237 PolarHBondContact O-N 3.26Å; E233-F504 HydrophobicContact CB-CD1 4.23Å; E233-F504 HydrophobicContact CB-CD2 4.36Å; E233-F504 HydrophobicContact CB-CE1 3.88Å; E233-F504 HydrophobicContact CB-CE2 4.03Å; E233-F504 HydrophobicContact CB-CG 4.46Å; E233-F504 HydrophobicContact CB-CZ 3.79Å; E233-F504 HydrophobicContact CG-CD1 4.09Å; E233-F504 HydrophobicContact CG-CE1 3.83Å; E233-F504 HydrophobicContact CG-CZ 4.24Å; E233-F504 WeakPolarHBondContact O-CE2 3.37Å
234	K	90.9	Very high	94	Very high	181 Å²	181	49.9 Å²	49.9	79%	0.787	24%	0.242	S	C	*	.	H	α-helix	trans	-64.1	-36.7	178	-175.8	179.4	177.3	-175.9	0	112.1	G232 L238	G232-K234 PolarHBondContact O-N 2.79Å; K234-L238 VanDerWaalsContact O-CB 3.3Å; K234-L238 WeakPolarHBondContact O-CB 3.45Å; K234-L238 PolarHBondContact O-N 2.92Å
235	M	90.6	Very high	93.8	Very high	73 Å²	73	54.5 Å²	54.5	36%	0.36	26%	0.262	S	S	.	.	H	α-helix	trans	-67.9	-47.1	178.4	-174.9	-173.9	-74.8	0	0	110.5	F202 G232 E233 L237 L238 E239 G336 L337	F202-M235 HydrophobicContact CE2-SD 3.71Å; F202-M235 HydrophobicContact CZ-SD 4.17Å; G232-M235 WeakPolarHBondContact O-CB 3.46Å; G232-M235 PolarHBondContact O-N 3.31Å; G232-M235 VanDerWaalsContact O-N 3.1Å; E233-M235 VanDerWaalsContact C-N 3.3Å; E233-M235 PolarHBondContact O-N 3.31Å; M235-L237 PolarHBondContact O-N 3.35Å; M235-L238 PolarHBondContact O-N 3.18Å; M235-E239 PolarHBondContact O-N 2.88Å; M235-G336 WeakPolarHBondContact CG-O 3.03Å; M235-L337 HydrophobicContact CE-CD2 4.08Å
236	A	94	Very high	93.7	Very high	5 Å²	5	51.2 Å²	51.2	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-42	177.6	0	0	0	0	0	112.3	L222 L227 G232 E233 K240 F508	L222-A236 HydrophobicContact CD1-CB 3.71Å; L227-A236 HydrophobicContact CD1-CB 4.06Å; L227-A236 HydrophobicContact CD2-CB 4.1Å; G232-A236 PolarHBondContact O-N 3.22Å; E233-A236 PolarHBondContact O-N 3.41Å; A236-K240 WeakPolarHBondContact O-CB 3.35Å; A236-K240 PolarHBondContact O-N 2.81Å; A236-K240 VanDerWaalsContact O-N 3.1Å; A236-F508 HydrophobicContact CB-CE2 4.24Å
237	L	93.8	Very high	93.6	Very high	42 Å²	42	53 Å²	53	22%	0.22	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-44.1	176.6	-168.5	60.2	0	0	0	111.7	E233 M235 K240 E241 F504	E233-L237 PolarHBondContact O-N 3.26Å; M235-L237 PolarHBondContact O-N 3.35Å; L237-K240 PolarHBondContact O-N 3.1Å; L237-E241 HydrophobicContact CG-CG 4.41Å; L237-E241 WeakPolarHBondContact O-CB 3.18Å; L237-E241 WeakPolarHBondContact O-CG 3.44Å; L237-E241 PolarHBondContact O-N 3.27Å; L237-F504 HydrophobicContact CB-CE2 4.11Å
238	L	92.1	Very high	93.6	Very high	42 Å²	42	53.4 Å²	53.4	22%	0.22	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-43.5	179.7	-176.9	65.3	0	0	0	111.6	K234 M235 K240 E241 I242 A338	K234-L238 VanDerWaalsContact O-CB 3.3Å; K234-L238 WeakPolarHBondContact O-CB 3.45Å; K234-L238 PolarHBondContact O-N 2.92Å; M235-L238 PolarHBondContact O-N 3.18Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 2.82Å; L238-E241 PolarHBondContact O-N 2.69Å; L238-I242 HydrophobicContact CD1-CD1 4.07Å; L238-I242 HydrophobicContact CD1-CG1 4.33Å; L238-I242 HydrophobicContact CG-CD1 3.92Å; L238-I242 WeakPolarHBondContact O-CB 3.15Å; L238-I242 VanDerWaalsContact O-CG1 3.29Å; L238-I242 WeakPolarHBondContact O-CG1 3.38Å; L238-I242 PolarHBondContact O-N 3.38Å; L238-A338 VanDerWaalsContact CD2-O 3.26Å; L238-A338 WeakPolarHBondContact CD2-O 3.45Å
239	E	94.7	Very high	93.7	Very high	9 Å²	9	53.7 Å²	53.7	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-48.8	175.2	-176.4	174.3	-168	0	0	110.7	K220 M235 I242 L243 L266 L335	K220-E239 IonicContact NZ-OE1 3.91Å; K220-E239 PolarHBondContact NZ-OE1 3.44Å; K220-E239 IonicContact NZ-OE2 2.84Å; K220-E239 PolarHBondContact NZ-OE2 2.97Å; M235-E239 PolarHBondContact O-N 2.88Å; E239-I242 PolarHBondContact O-N 2.9Å; E239-L243 HydrophobicContact CG-CD1 3.96Å; E239-L243 WeakPolarHBondContact O-CB 3.46Å; E239-L243 WeakPolarHBondContact O-CG 3.31Å; E239-L243 PolarHBondContact O-N 3.32Å; E239-L266 HydrophobicContact CG-CD1 4.49Å; E239-L335 HydrophobicContact CG-CB 4.29Å
240	K	96.1	Very high	93.9	Very high	6 Å²	6	47 Å²	47	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-48.7	177.8	-179.4	-90.9	-177.4	-178.9	0	112.1	A236 L237 L238 I242 L243 E244 L254 A257 L266 F508 T510	A236-K240 WeakPolarHBondContact O-CB 3.35Å; A236-K240 PolarHBondContact O-N 2.81Å; A236-K240 VanDerWaalsContact O-N 3.1Å; L237-K240 PolarHBondContact O-N 3.1Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 2.82Å; K240-I242 VanDerWaalsContact C-N 3.3Å; K240-I242 PolarHBondContact O-N 3.33Å; K240-L243 PolarHBondContact O-N 3.47Å; K240-E244 HydrophobicContact CD-CG 4.4Å; K240-E244 WeakPolarHBondContact CE-OE1 3.21Å; K240-E244 VanDerWaalsContact CE-OE2 3.27Å; K240-E244 WeakPolarHBondContact CE-OE2 3.17Å; K240-E244 IonicContact NZ-OE1 2.87Å; K240-E244 PolarHBondContact NZ-OE1 2.97Å; K240-E244 IonicContact NZ-OE2 3.43Å; K240-E244 PolarHBondContact NZ-OE2 3.29Å; K240-E244 WeakPolarHBondContact O-CG 3.47Å; K240-E244 PolarHBondContact O-N 3.07Å; K240-L254 HydrophobicContact CG-CD2 4.33Å; K240-A257 HydrophobicContact CG-CB 4.18Å; K240-L266 HydrophobicContact CB-CD2 3.9Å; K240-L266 HydrophobicContact CG-CD2 3.7Å; K240-F508 HydrophobicContact CB-CD2 4.35Å; K240-F508 HydrophobicContact CB-CE2 3.89Å; K240-F508 HydrophobicContact CB-CZ 4.37Å; K240-F508 VanDerWaalsContact CE-O 3.3Å; K240-F508 WeakPolarHBondContact CE-O 3.35Å; K240-F508 HydrophobicContact CG-CD2 4.44Å; K240-F508 HydrophobicContact CG-CE2 4.21Å; K240-F508 HydrophobicContact CG-CZ 4.42Å; K240-T510 WeakPolarHBondContact CE-OG1 3.15Å; K240-T510 PolarHBondContact NZ-OG1 2.98Å
241	E	95.6	Very high	94.2	Very high	70 Å²	70	41.5 Å²	41.5	33%	0.327	22%	0.223	S	C	.	.	H	α-helix	trans	-63.6	-34.2	-179.8	-76.3	178	-176.2	0	0	112.8	L237 L238 K245	L237-E241 HydrophobicContact CG-CG 4.41Å; L237-E241 WeakPolarHBondContact O-CB 3.18Å; L237-E241 WeakPolarHBondContact O-CG 3.44Å; L237-E241 PolarHBondContact O-N 3.27Å; L238-E241 PolarHBondContact O-N 2.69Å; E241-K245 WeakPolarHBondContact O-CD 3.14Å; E241-K245 VanDerWaalsContact O-CG 3.3Å; E241-K245 WeakPolarHBondContact O-CG 3.3Å
242	I	95.7	Very high	94.4	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-69.5	-49.6	174.7	-73.3	172.7	0	0	0	109.6	L238 E239 K240 E244 K245 V246 I312 L335 A338	L238-I242 HydrophobicContact CD1-CD1 4.07Å; L238-I242 HydrophobicContact CD1-CG1 4.33Å; L238-I242 HydrophobicContact CG-CD1 3.92Å; L238-I242 WeakPolarHBondContact O-CB 3.15Å; L238-I242 VanDerWaalsContact O-CG1 3.29Å; L238-I242 WeakPolarHBondContact O-CG1 3.38Å; L238-I242 PolarHBondContact O-N 3.38Å; E239-I242 PolarHBondContact O-N 2.9Å; K240-I242 VanDerWaalsContact C-N 3.3Å; K240-I242 PolarHBondContact O-N 3.33Å; I242-E244 PolarHBondContact O-N 3.34Å; I242-K245 PolarHBondContact O-N 2.89Å; I242-V246 HydrophobicContact CG2-CG2 4.02Å; I242-V246 VanDerWaalsContact O-CG2 3.3Å; I242-V246 WeakPolarHBondContact O-CG2 3.36Å; I242-V246 PolarHBondContact O-N 3.39Å; I242-I312 HydrophobicContact CD1-CG2 4.11Å; I242-I312 HydrophobicContact CG1-CD1 4.31Å; I242-I312 HydrophobicContact CG2-CD1 3.96Å; I242-I312 HydrophobicContact CG2-CG2 4.36Å; I242-L335 HydrophobicContact CG2-CB 4.25Å; I242-L335 HydrophobicContact CG2-CD1 3.55Å; I242-L335 HydrophobicContact CG2-CG 4.38Å; I242-A338 HydrophobicContact CD1-CB 3.67Å
243	L	96.4	Very high	94.6	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-30.6	-179.9	-75.6	169.6	0	0	0	113.3	E239 K240 K245 V252 L254 L266 L335	E239-L243 HydrophobicContact CG-CD1 3.96Å; E239-L243 WeakPolarHBondContact O-CB 3.46Å; E239-L243 WeakPolarHBondContact O-CG 3.31Å; E239-L243 PolarHBondContact O-N 3.32Å; K240-L243 PolarHBondContact O-N 3.47Å; L243-K245 VanDerWaalsContact C-N 3.34Å; L243-V252 HydrophobicContact CD2-CG2 4.12Å; L243-V252 WeakPolarHBondContact CD2-O 3.48Å; L243-L254 HydrophobicContact CB-CB 3.8Å; L243-L254 HydrophobicContact CB-CD2 4.11Å; L243-L266 HydrophobicContact CD1-CD1 4.3Å; L243-L335 HydrophobicContact CD2-CD1 3.49Å; L243-L335 VanDerWaalsContact CD2-CD1 3.49Å; L243-L335 HydrophobicContact CD2-CG 4.31Å; L243-L335 HydrophobicContact CG-CD1 3.94Å
244	E	95.6	Very high	94.8	Very high	67 Å²	67	37.6 Å²	37.6	31%	0.313	19%	0.192	S	C	.	.	H	α-helix	trans	-70.7	-27	173.6	-77	-174.9	147.4	0	0	113.9	K240 I242 L254 T510 V513	K240-E244 HydrophobicContact CD-CG 4.4Å; K240-E244 WeakPolarHBondContact CE-OE1 3.21Å; K240-E244 VanDerWaalsContact CE-OE2 3.27Å; K240-E244 WeakPolarHBondContact CE-OE2 3.17Å; K240-E244 IonicContact NZ-OE1 2.87Å; K240-E244 PolarHBondContact NZ-OE1 2.97Å; K240-E244 IonicContact NZ-OE2 3.43Å; K240-E244 PolarHBondContact NZ-OE2 3.29Å; K240-E244 WeakPolarHBondContact O-CG 3.47Å; K240-E244 PolarHBondContact O-N 3.07Å; I242-E244 PolarHBondContact O-N 3.34Å; E244-L254 HydrophobicContact CG-CD2 3.72Å; E244-T510 WeakPolarHBondContact OE1-CB 3.47Å; E244-T510 PolarHBondContact OE1-OG1 3.5Å; E244-V513 HydrophobicContact CG-CG2 4.11Å
245	K	92.2	Very high	95.2	Very high	106 Å²	106	29 Å²	29	46%	0.461	16%	0.155	S	C	.	.	H	α-helix	trans	-89.8	-28	-178.5	-69.1	173	-168.9	174.3	0	112.6	E241 I242 L243	E241-K245 WeakPolarHBondContact O-CD 3.14Å; E241-K245 VanDerWaalsContact O-CG 3.3Å; E241-K245 WeakPolarHBondContact O-CG 3.3Å; I242-K245 PolarHBondContact O-N 2.89Å; L243-K245 VanDerWaalsContact C-N 3.34Å
246	V	93.9	Very high	95.5	Very high	9 Å²	9	26.1 Å²	26.1	6%	0.055	14%	0.14	C	C	.	.			trans	-82.4	121.4	-175.2	171.4	0	0	0	0	109.6	I242 I251 L307 L310 I312	I242-V246 HydrophobicContact CG2-CG2 4.02Å; I242-V246 VanDerWaalsContact O-CG2 3.3Å; I242-V246 WeakPolarHBondContact O-CG2 3.36Å; I242-V246 PolarHBondContact O-N 3.39Å; V246-I251 HydrophobicContact CG1-CB 3.88Å; V246-I251 HydrophobicContact CG1-CD1 3.38Å; V246-I251 HydrophobicContact CG1-CG1 4.22Å; V246-I251 HydrophobicContact CG1-CG2 3.83Å; V246-L307 HydrophobicContact CG2-CD2 3.71Å; V246-L310 HydrophobicContact CG2-CD1 3.9Å; V246-I312 HydrophobicContact CG2-CD1 4.15Å
247	S	91.7	Very high	95.7	Very high	62 Å²	62	25.9 Å²	25.9	43%	0.434	14%	0.138	S	C	.	.			trans	-126.7	97.7	170.7	-178.8	0	0	0	0	108.8	H306	S247-H306 PolarHBondContact O-CE1 3.04Å; S247-H306 PolarHBondContact O-NE2 3.19Å
248	S	95.1	Very high	95.9	Very high	10 Å²	10	24.2 Å²	24.2	7%	0.07	13%	0.129	C	C	.	.			trans	-147.9	140.1	-178.7	179	0	0	0	0	110.5	F250 I251	S248-F250 PolarHBondContact O-N 3.21Å; S248-F250 VanDerWaalsContact O-N 3.16Å; S248-F250 PolarHBondContact OG-N 3.28Å; S248-I251 PolarHBondContact O-N 2.88Å; S248-I251 VanDerWaalsContact O-O 3.09Å
249	P	95.5	Very high	96.1	Very high	67 Å²	67	25.3 Å²	25.3	44%	0.435	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.1	174.1	27.3	-33.9	0	0	0	113	R331	P249-R331 WeakPolarHBondContact O-CD 3.43Å; P249-R331 WeakPolarHBondContact O-CG 3.33Å; P249-R331 PolarHBondContact O-NE 3.33Å; P249-R331 VanDerWaalsContact O-NE 3.07Å; P249-R331 PolarHBondContact O-NH1 2.93Å
250	F	98.3	Very high	96.2	Very high	11 Å²	11	25.9 Å²	25.9	5%	0.048	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	9.5	-177.7	-52.8	-64.9	0	0	0	113.9	S248 Q299 C302 R331 L332 L462 E463	S248-F250 PolarHBondContact O-N 3.21Å; S248-F250 VanDerWaalsContact O-N 3.16Å; S248-F250 PolarHBondContact OG-N 3.28Å; F250-Q299 WeakPolarHBondContact CB-O 3.25Å; F250-Q299 HydrophobicContact CD1-CB 3.65Å; F250-Q299 HydrophobicContact CD1-CG 3.91Å; F250-Q299 HydrophobicContact CE1-CB 3.9Å; F250-Q299 HydrophobicContact CE1-CG 3.63Å; F250-Q299 WeakPolarHBondContact CG-O 3.43Å; F250-C302 HydrophobicContact CD2-CB 3.28Å; F250-C302 HydrophobicContact CE2-CB 3.38Å; F250-C302 HydrophobicContact CG-CB 3.95Å; F250-C302 HydrophobicContact CZ-CB 4.11Å; F250-R331 CarbonylContact O-C 3.59Å; F250-R331 VanDerWaalsContact O-CA 3.29Å; F250-R331 WeakPolarHBondContact O-CA 3.47Å; F250-L332 PolarHBondContact O-N 3.49Å; F250-L462 HydrophobicContact CE1-CG 4.47Å; F250-L462 HydrophobicContact CZ-CG 4.26Å; F250-E463 HydrophobicContact CE2-CB 4.36Å; F250-E463 HydrophobicContact CE2-CG 3.91Å; F250-E463 HydrophobicContact CZ-CG 4.27Å
251	I	98.3	Very high	96	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-132.5	143.8	176.7	-54	166.7	0	0	0	107.4	V246 S248 S253 H306 L307 R331 L332 L335	V246-I251 HydrophobicContact CG1-CB 3.88Å; V246-I251 HydrophobicContact CG1-CD1 3.38Å; V246-I251 HydrophobicContact CG1-CG1 4.22Å; V246-I251 HydrophobicContact CG1-CG2 3.83Å; S248-I251 PolarHBondContact O-N 2.88Å; S248-I251 VanDerWaalsContact O-O 3.09Å; I251-S253 PolarHBondContact O-N 2.9Å; I251-H306 HydrophobicContact CD1-CB 4.42Å; I251-L307 HydrophobicContact CD1-CD1 4.29Å; I251-L307 HydrophobicContact CD1-CD2 3.77Å; I251-L307 HydrophobicContact CD1-CG 3.66Å; I251-R331 PolarHBondContact O-NH1 2.76Å; I251-L332 HydrophobicContact CG1-CB 4.34Å; I251-L335 HydrophobicContact CG2-CD1 4.16Å
252	V	97.1	Very high	96	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.018	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-61.7	130	175.1	-63.7	0	0	0	0	110.1	L243 M268 M271 R331 L332	L243-V252 HydrophobicContact CD2-CG2 4.12Å; L243-V252 WeakPolarHBondContact CD2-O 3.48Å; V252-M268 HydrophobicContact CG2-SD 4.5Å; V252-M271 HydrophobicContact CG1-CG 4.04Å; V252-R331 HydrophobicContact CG1-CB 4.19Å; V252-L332 PolarHBondContact N-O 3.19Å
253	S	96.3	Very high	96	Very high	19 Å²	19	37.2 Å²	37.2	13%	0.133	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-89.2	138.1	179.8	-55.5	0	0	0	0	109.9	I251 M268 S269	I251-S253 PolarHBondContact O-N 2.9Å; S253-M268 CarbonylContact O-C 3.52Å; S253-M268 WeakPolarHBondContact O-CA 3.49Å; S253-M268 WeakPolarHBondContact O-CB 3.47Å; S253-S269 PolarHBondContact N-OG 3.15Å; S253-S269 PolarHBondContact O-N 3.24Å; S253-S269 PolarHBondContact O-OG 3.22Å
254	L	98.1	Very high	96.1	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.9	168.2	-179.4	74.4	0	0	0	109.1	K240 L243 E244 Y256 A257 L266 V267 V513 A516	K240-L254 HydrophobicContact CG-CD2 4.33Å; L243-L254 HydrophobicContact CB-CB 3.8Å; L243-L254 HydrophobicContact CB-CD2 4.11Å; E244-L254 HydrophobicContact CG-CD2 3.72Å; L254-Y256 WeakPolarHBondContact CD1-O 3.49Å; L254-A257 HydrophobicContact CD2-CB 4.4Å; L254-L266 HydrophobicContact CD1-CB 3.71Å; L254-L266 HydrophobicContact CD1-CD2 3.73Å; L254-L266 HydrophobicContact CD1-CG 4.28Å; L254-L266 HydrophobicContact CD2-CD2 4.23Å; L254-V267 WeakPolarHBondContact CD1-O 3.3Å; L254-V513 HydrophobicContact CB-CG2 4.33Å; L254-V513 HydrophobicContact CD2-CG2 3.86Å; L254-V513 HydrophobicContact CG-CG2 3.82Å; L254-V513 WeakPolarHBondContact O-CB 3.49Å; L254-V513 WeakPolarHBondContact O-CG1 3.46Å; L254-V513 WeakPolarHBondContact O-CG2 3.5Å; L254-A516 WeakPolarHBondContact O-CB 3.25Å
255	A	97.8	Very high	96.2	Very high	1 Å²	1	34 Å²	34	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-35.1	176.1	0	0	0	0	0	112.1	Y217 V267 V513 A516	Y217-A255 HydrophobicContact CD1-CB 4.22Å; Y217-A255 HydrophobicContact CE1-CB 3.56Å; A255-V267 PolarHBondContact N-O 3.2Å; A255-V513 PolarHBondContact O-N 3.13Å; A255-A516 HydrophobicContact CB-CB 4.05Å
256	Y	98.4	Very high	96.5	Very high	11 Å²	11	28.9 Å²	28.9	4%	0.043	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	143.9	179.4	-50.3	-96.5	0	0	0	112.7	V186 F191 Y217 L254 V267 G511 A512 W517 E520	V186-Y256 HydrophobicContact CG1-CD1 3.99Å; V186-Y256 HydrophobicContact CG2-CD1 3.91Å; V186-Y256 HydrophobicContact CG2-CE1 4.29Å; F191-Y256 HydrophobicContact CE1-CD2 4.09Å; F191-Y256 HydrophobicContact CE1-CE2 4.14Å; F191-Y256 HydrophobicContact CZ-CD1 4.27Å; F191-Y256 AromaticContact CZ-CD2 3.68Å; F191-Y256 HydrophobicContact CZ-CD2 3.68Å; F191-Y256 HydrophobicContact CZ-CE2 4.01Å; F191-Y256 AromaticContact CZ-CG 3.82Å; F191-Y256 HydrophobicContact CZ-CG 3.82Å; Y217-Y256 HydrophobicContact CE2-CE2 4.15Å; L254-Y256 WeakPolarHBondContact CD1-O 3.49Å; Y256-V267 HydrophobicContact CD2-CB 3.89Å; Y256-V267 HydrophobicContact CD2-CG1 3.83Å; Y256-V267 HydrophobicContact CD2-CG2 4.47Å; Y256-V267 HydrophobicContact CG-CB 4.34Å; Y256-V267 PolarHBondContact N-O 2.78Å; Y256-V267 VanDerWaalsContact N-O 3.17Å; Y256-V267 PolarHBondContact O-N 2.72Å; Y256-G511 CarbonylContact C-O 3.53Å; Y256-G511 VanDerWaalsContact CA-O 3.26Å; Y256-G511 WeakPolarHBondContact CA-O 3.5Å; Y256-A512 HydrophobicContact CD1-CB 3.94Å; Y256-A512 HydrophobicContact CE1-CB 3.93Å; Y256-W517 AromaticContact CE1-CD1 3.54Å; Y256-W517 AromaticContact CZ-CD1 3.59Å; Y256-E520 VanDerWaalsContact CE2-OE2 3.28Å; Y256-E520 WeakPolarHBondContact CE2-OE2 3.37Å; Y256-E520 VanDerWaalsContact CZ-OE2 3.28Å; Y256-E520 VanDerWaalsContact OH-CD 3.31Å; Y256-E520 PolarHBondContact OH-OE1 3.29Å; Y256-E520 PolarHBondContact OH-OE2 3.49Å
257	A	98.3	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	119.7	166.9	0	0	0	0	0	110.1	K240 L254 C265 L266 F508 A509 T510 G511	K240-A257 HydrophobicContact CG-CB 4.18Å; L254-A257 HydrophobicContact CD2-CB 4.4Å; A257-C265 WeakPolarHBondContact CA-O 3.49Å; A257-L266 HydrophobicContact CB-CD2 4.02Å; A257-F508 HydrophobicContact CB-CE1 4.47Å; A257-A509 CarbonylContact O-C 3.48Å; A257-A509 WeakPolarHBondContact O-CA 3.39Å; A257-T510 PolarHBondContact O-N 3.05Å; A257-G511 PolarHBondContact N-O 2.86Å; A257-G511 WeakPolarHBondContact O-CA 3.38Å; A257-G511 PolarHBondContact O-N 3.28Å
258	F	97.9	Very high	96.9	Very high	7 Å²	7	26.4 Å²	26.4	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	170.1	-178.7	70.4	-89.5	0	0	0	112.1	V186 D188 F191 C265 V267	V186-F258 HydrophobicContact CB-CB 4.47Å; V186-F258 HydrophobicContact CG1-CB 4.32Å; V186-F258 HydrophobicContact CG1-CD1 4.06Å; V186-F258 HydrophobicContact CG1-CG 4.32Å; D188-F258 HydrophobicContact CB-CE2 4.06Å; F191-F258 AromaticContact CD2-CE1 3.79Å; F191-F258 HydrophobicContact CD2-CE1 3.79Å; F191-F258 AromaticContact CD2-CZ 3.94Å; F191-F258 HydrophobicContact CD2-CZ 3.94Å; F191-F258 HydrophobicContact CE2-CD1 4.08Å; F191-F258 AromaticContact CE2-CE1 3.49Å; F191-F258 HydrophobicContact CE2-CE1 3.49Å; F191-F258 VanDerWaalsContact CE2-CE1 3.49Å; F191-F258 HydrophobicContact CE2-CZ 4.1Å; F191-F258 HydrophobicContact CZ-CE1 4.43Å; F258-C265 HydrophobicContact CD1-CB 3.87Å; F258-C265 HydrophobicContact CD2-CB 4.08Å; F258-C265 HydrophobicContact CE1-CB 3.54Å; F258-C265 HydrophobicContact CE2-CB 3.74Å; F258-C265 HydrophobicContact CG-CB 4.13Å; F258-C265 HydrophobicContact CZ-CB 3.47Å; F258-C265 VanDerWaalsContact CZ-CB 3.47Å; F258-C265 PolarHBondContact N-O 3.12Å; F258-C265 VanDerWaalsContact N-O 3.07Å; F258-C265 PolarHBondContact O-N 3.44Å; F258-V267 HydrophobicContact CD1-CG2 4.23Å; F258-V267 HydrophobicContact CE1-CG2 3.61Å
259	E	96.4	Very high	96.9	Very high	66 Å²	66	27.2 Å²	27.2	31%	0.308	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	147.8	171.8	68	165	161.3	0	0	112	K224 L264 F505 A509	K224-E259 IonicContact NZ-OE2 2.74Å; K224-E259 PolarHBondContact NZ-OE2 3.26Å; E259-L264 HydrophobicContact CB-CD2 3.77Å; E259-F505 WeakPolarHBondContact OE2-CB 3.47Å; E259-A509 HydrophobicContact CB-CB 4.33Å; E259-A509 HydrophobicContact CG-CB 4.15Å
260	S	94.9	Very high	96.9	Very high	20 Å²	20	25 Å²	25	14%	0.14	13%	0.127	C	C	.	.			trans	-112	-173.7	164.9	69.1	0	0	0	0	109.8	K224 T262 H263	K224-S260 PolarHBondContact NZ-O 3.32Å; S260-T262 PolarHBondContact O-N 3.01Å; S260-T262 PolarHBondContact OG-N 3.27Å; S260-H263 PolarHBondContact N-O 2.91Å; S260-H263 PolarHBondContact OG-N 2.87Å; S260-H263 PolarHBondContact OG-O 3.39Å
261	K	93.6	Very high	96.8	Very high	199 Å²	199	25.5 Å²	25.5	87%	0.865	13%	0.13	S	C	*	.	S	Bend	trans	-57.9	-36.2	175.2	-67.8	-176	-179	178.3	0	112.7
262	T	94.4	Very high	96.5	Very high	78 Å²	78	26.1 Å²	26.1	48%	0.479	13%	0.133	S	C	.	.	S	Bend	trans	-117.9	-20.7	-169.8	47.9	0	0	0	0	114.1	K224 S260	K224-T262 WeakPolarHBondContact CB-O 3.33Å; K224-T262 WeakPolarHBondContact CG-O 3.46Å; K224-T262 PolarHBondContact N-O 3.46Å; S260-T262 PolarHBondContact O-N 3.01Å; S260-T262 PolarHBondContact OG-N 3.27Å
263	H	96.5	Very high	96.3	Very high	38 Å²	38	26 Å²	26	18%	0.176	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.1	-172.5	-61.7	81.4	0	0	0	113.2	K221 L222 S260	K221-H263 HydrophobicContact CB-CB 4.39Å; L222-H263 CarbonylContact O-C 3.5Å; L222-H263 VanDerWaalsContact O-CA 3.22Å; L222-H263 WeakPolarHBondContact O-CA 3.39Å; S260-H263 PolarHBondContact N-O 2.91Å; S260-H263 PolarHBondContact OG-N 2.87Å; S260-H263 PolarHBondContact OG-O 3.39Å
264	L	97.6	Very high	96.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.1	155.2	-60.4	179.2	0	0	0	108.3	L222 K224 L227 E259 F504 F505 F508	L222-L264 HydrophobicContact CB-CB 4.31Å; L222-L264 PolarHBondContact N-O 2.86Å; L222-L264 PolarHBondContact O-N 3.45Å; K224-L264 HydrophobicContact CG-CG 4.21Å; L227-L264 HydrophobicContact CD2-CD1 3.87Å; E259-L264 HydrophobicContact CB-CD2 3.77Å; L264-F504 HydrophobicContact CD1-CE1 3.53Å; L264-F504 HydrophobicContact CD1-CZ 3.61Å; L264-F505 HydrophobicContact CD1-CD1 4.09Å; L264-F505 HydrophobicContact CD2-CB 4.04Å; L264-F505 HydrophobicContact CD2-CD1 3.82Å; L264-F505 HydrophobicContact CD2-CG 4.2Å; L264-F505 HydrophobicContact CG-CD1 4.26Å; L264-F508 HydrophobicContact CB-CD1 3.9Å; L264-F508 HydrophobicContact CB-CE1 3.63Å; L264-F508 HydrophobicContact CB-CE2 4.48Å; L264-F508 HydrophobicContact CB-CG 4.44Å; L264-F508 HydrophobicContact CB-CZ 3.91Å; L264-F508 HydrophobicContact CD1-CB 4.37Å; L264-F508 HydrophobicContact CD1-CD1 4.2Å; L264-F508 HydrophobicContact CD1-CD2 3.97Å; L264-F508 HydrophobicContact CD1-CE2 4.26Å; L264-F508 HydrophobicContact CD1-CG 3.92Å; L264-F508 HydrophobicContact CD1-CZ 4.49Å; L264-F508 HydrophobicContact CD2-CB 4.37Å; L264-F508 HydrophobicContact CD2-CD1 3.96Å; L264-F508 HydrophobicContact CD2-CG 4.23Å; L264-F508 HydrophobicContact CG-CD1 4.24Å; L264-F508 HydrophobicContact CG-CE1 4.45Å; L264-F508 HydrophobicContact CG-CG 4.43Å
265	C	98.1	Very high	96	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.02	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.1	-170.6	-61.4	0	0	0	0	110.8	K220 A257 F258	K220-C265 WeakPolarHBondContact O-CA 3.33Å; A257-C265 WeakPolarHBondContact CA-O 3.49Å; F258-C265 HydrophobicContact CD1-CB 3.87Å; F258-C265 HydrophobicContact CD2-CB 4.08Å; F258-C265 HydrophobicContact CE1-CB 3.54Å; F258-C265 HydrophobicContact CE2-CB 3.74Å; F258-C265 HydrophobicContact CG-CB 4.13Å; F258-C265 HydrophobicContact CZ-CB 3.47Å; F258-C265 VanDerWaalsContact CZ-CB 3.47Å; F258-C265 PolarHBondContact N-O 3.12Å; F258-C265 VanDerWaalsContact N-O 3.07Å; F258-C265 PolarHBondContact O-N 3.44Å
266	L	97.9	Very high	96	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.4	168.3	-61.8	174.3	0	0	0	108.4	C219 K220 E239 K240 L243 L254 A257 M268 F508	C219-L266 CarbonylContact C-O 3.55Å; C219-L266 WeakPolarHBondContact CA-O 3.49Å; K220-L266 HydrophobicContact CB-CB 4.31Å; K220-L266 PolarHBondContact N-O 2.94Å; K220-L266 PolarHBondContact O-N 2.96Å; E239-L266 HydrophobicContact CG-CD1 4.49Å; K240-L266 HydrophobicContact CB-CD2 3.9Å; K240-L266 HydrophobicContact CG-CD2 3.7Å; L243-L266 HydrophobicContact CD1-CD1 4.3Å; L254-L266 HydrophobicContact CD1-CB 3.71Å; L254-L266 HydrophobicContact CD1-CD2 3.73Å; L254-L266 HydrophobicContact CD1-CG 4.28Å; L254-L266 HydrophobicContact CD2-CD2 4.23Å; A257-L266 HydrophobicContact CB-CD2 4.02Å; L266-M268 HydrophobicContact CB-CE 3.75Å; L266-F508 HydrophobicContact CD1-CZ 4.25Å; L266-F508 HydrophobicContact CD2-CE1 3.82Å; L266-F508 HydrophobicContact CD2-CE2 4.26Å; L266-F508 HydrophobicContact CD2-CZ 3.41Å; L266-F508 VanDerWaalsContact CD2-CZ 3.41Å; L266-F508 HydrophobicContact CG-CE1 4.31Å; L266-F508 HydrophobicContact CG-CZ 3.7Å
267	V	98.2	Very high	95.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.1	177	-175	0	0	0	0	108.2	F191 V208 Y217 A218 L254 A255 Y256 F258	F191-V267 HydrophobicContact CE1-CG1 3.99Å; F191-V267 HydrophobicContact CE1-CG2 4.24Å; F191-V267 HydrophobicContact CE2-CG2 4.12Å; F191-V267 HydrophobicContact CZ-CG1 4.29Å; F191-V267 HydrophobicContact CZ-CG2 3.89Å; V208-V267 HydrophobicContact CG2-CG1 4.27Å; Y217-V267 HydrophobicContact CD1-CG1 4.02Å; Y217-V267 HydrophobicContact CD2-CG1 3.94Å; Y217-V267 HydrophobicContact CG-CG1 3.52Å; A218-V267 CarbonylContact O-C 3.55Å; A218-V267 WeakPolarHBondContact O-CA 3.46Å; L254-V267 WeakPolarHBondContact CD1-O 3.3Å; A255-V267 PolarHBondContact N-O 3.2Å; Y256-V267 HydrophobicContact CD2-CB 3.89Å; Y256-V267 HydrophobicContact CD2-CG1 3.83Å; Y256-V267 HydrophobicContact CD2-CG2 4.47Å; Y256-V267 HydrophobicContact CG-CB 4.34Å; Y256-V267 PolarHBondContact N-O 2.78Å; Y256-V267 VanDerWaalsContact N-O 3.17Å; Y256-V267 PolarHBondContact O-N 2.72Å; F258-V267 HydrophobicContact CD1-CG2 4.23Å; F258-V267 HydrophobicContact CE1-CG2 3.61Å
268	M	96.9	Very high	95.7	Very high	19 Å²	19	33.5 Å²	33.5	9%	0.094	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	164.9	-169.6	62.8	-171.6	67.1	0	0	111.9	Y217 A218 K220 V252 S253 L266 L270	Y217-M268 WeakPolarHBondContact CD1-O 3.38Å; A218-M268 HydrophobicContact CB-CG 4.01Å; A218-M268 PolarHBondContact N-O 3.01Å; A218-M268 PolarHBondContact O-N 3.48Å; K220-M268 HydrophobicContact CB-CE 3.64Å; K220-M268 HydrophobicContact CD-CE 4.18Å; V252-M268 HydrophobicContact CG2-SD 4.5Å; S253-M268 CarbonylContact O-C 3.52Å; S253-M268 WeakPolarHBondContact O-CA 3.49Å; S253-M268 WeakPolarHBondContact O-CB 3.47Å; L266-M268 HydrophobicContact CB-CE 3.75Å; M268-L270 PolarHBondContact O-N 3.15Å
269	S	95.1	Very high	95.6	Very high	26 Å²	26	33.1 Å²	33.1	18%	0.182	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-42.7	126.4	175.4	-55	0	0	0	0	111.7	S253	S253-S269 PolarHBondContact N-OG 3.15Å; S253-S269 PolarHBondContact O-N 3.24Å; S253-S269 PolarHBondContact O-OG 3.22Å
270	L	95.3	Very high	95.6	Very high	22 Å²	22	30 Å²	30	12%	0.115	15%	0.152	C	C	.	.			trans	-81.9	124.4	175.1	-178.7	60.6	0	0	0	110.1	Y16 L197 M216 A218 M268 N272	Y16-L270 HydrophobicContact CE2-CD2 4.35Å; L197-L270 HydrophobicContact CD1-CD1 3.52Å; M216-L270 HydrophobicContact CB-CD2 3.7Å; M216-L270 HydrophobicContact CE-CD2 4.38Å; A218-L270 HydrophobicContact CB-CD1 4.03Å; M268-L270 PolarHBondContact O-N 3.15Å; L270-N272 WeakPolarHBondContact CD2-OD1 3.26Å; L270-N272 WeakPolarHBondContact CG-OD1 3.38Å
271	M	95.4	Very high	95.6	Very high	20 Å²	20	31.1 Å²	31.1	10%	0.099	15%	0.153	C	C	.	.			trans	-112.6	87.2	-177.9	-55.1	-59.2	-68.1	0	0	109.1	V252 G273 L323 L324 D325 R331	V252-M271 HydrophobicContact CG1-CG 4.04Å; M271-G273 VanDerWaalsContact C-N 3.29Å; M271-G273 PolarHBondContact O-N 3.03Å; M271-L323 HydrophobicContact CB-CB 3.43Å; M271-L323 VanDerWaalsContact CB-CB 3.43Å; M271-L323 HydrophobicContact CB-CD1 3.99Å; M271-L323 HydrophobicContact CB-CG 4.35Å; M271-L323 HydrophobicContact CE-CB 4.38Å; M271-L323 WeakPolarHBondContact CE-O 3.33Å; M271-L323 HydrophobicContact CG-CB 3.7Å; M271-L323 HydrophobicContact CG-CD1 3.97Å; M271-L323 HydrophobicContact CG-CG 4.5Å; M271-L324 CarbonylContact C-O 3.53Å; M271-L324 WeakPolarHBondContact CA-O 3.41Å; M271-L324 WeakPolarHBondContact CB-O 3.33Å; M271-D325 HydrophobicContact CE-CB 3.82Å; M271-D325 HydrophobicContact SD-CB 4.28Å; M271-R331 HydrophobicContact CE-CB 3.78Å; M271-R331 HydrophobicContact CE-CG 3.55Å; M271-R331 HydrophobicContact SD-CB 4.5Å; M271-R331 HydrophobicContact SD-CG 4.28Å
272	N	91.4	Very high	95.5	Very high	14 Å²	14	26.9 Å²	26.9	8%	0.075	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.9	-169.9	-71.4	-35.3	0	0	0	114.5	Y16 R20 L270 G274 L324 D326	Y16-N272 PolarHBondContact OH-OD1 2.62Å; R20-N272 PolarHBondContact NE-ND2 3.47Å; L270-N272 WeakPolarHBondContact CD2-OD1 3.26Å; L270-N272 WeakPolarHBondContact CG-OD1 3.38Å; N272-G274 PolarHBondContact O-N 3.36Å; N272-L324 PolarHBondContact N-O 2.98Å; N272-D326 WeakPolarHBondContact CB-OD1 3.45Å; N272-D326 PolarHBondContact ND2-OD1 3.36Å; N272-D326 PolarHBondContact ND2-OD2 3.07Å
273	G	94.1	Very high	95.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-1.5	-179.7	0	0	0	0	0	114.2	M271 H279 L324 Y479	M271-G273 VanDerWaalsContact C-N 3.29Å; M271-G273 PolarHBondContact O-N 3.03Å; G273-H279 PolarHBondContact O-NE2 3.43Å; G273-L324 VanDerWaalsContact CA-O 3.3Å; G273-L324 WeakPolarHBondContact CA-O 3.29Å; G273-L324 PolarHBondContact N-O 3.09Å; G273-Y479 WeakPolarHBondContact O-CB 3.47Å
274	G	93.5	Very high	94.7	Very high	10 Å²	10	26.8 Å²	26.8	10%	0.103	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.5	-175.9	-178.9	0	0	0	0	0	113.3	N272 L323 L324 Y479	N272-G274 PolarHBondContact O-N 3.36Å; G274-L323 CarbonylContact O-C 3.07Å; G274-L323 WeakPolarHBondContact O-CA 3.34Å; G274-L324 PolarHBondContact O-N 2.75Å; G274-Y479 VanDerWaalsContact CA-O 3.29Å; G274-Y479 WeakPolarHBondContact CA-O 3.17Å
275	D	95.4	Very high	94.4	Very high	48 Å²	48	32.7 Å²	32.7	26%	0.257	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	153.3	179.9	65	71.7	0	0	0	113.2	K277 F278 H279 E320 V322 L323	D275-K277 PolarHBondContact O-N 3.17Å; D275-K277 WeakPolarHBondContact OD1-CA 3.42Å; D275-K277 VanDerWaalsContact OD1-CB 3.23Å; D275-K277 WeakPolarHBondContact OD1-CB 3.39Å; D275-K277 PolarHBondContact OD1-N 2.8Å; D275-K277 VanDerWaalsContact OD1-N 3.1Å; D275-F278 WeakPolarHBondContact O-CB 3.37Å; D275-F278 PolarHBondContact O-N 2.79Å; D275-F278 VanDerWaalsContact O-N 3.1Å; D275-F278 PolarHBondContact OD1-N 3.2Å; D275-H279 PolarHBondContact O-CD2 2.74Å; D275-H279 VanDerWaalsContact O-CD2 3.3Å; D275-H279 PolarHBondContact O-N 2.74Å; D275-E320 WeakPolarHBondContact CB-O 3.47Å; D275-V322 CarbonylContact C-O 3.37Å; D275-V322 WeakPolarHBondContact CA-O 3.4Å; D275-L323 HydrophobicContact CB-CD2 3.67Å
276	L	97.1	Very high	94.2	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-27.7	-179.7	-84	-176.4	0	0	0	112.9	F278 H279 I280 L288 Y296 I300 P319 V322 L324 M384	L276-F278 VanDerWaalsContact C-N 3.35Å; L276-H279 WeakPolarHBondContact O-CB 3.12Å; L276-H279 PolarHBondContact O-N 2.58Å; L276-I280 WeakPolarHBondContact O-CD1 3.34Å; L276-I280 WeakPolarHBondContact O-CG1 3.48Å; L276-I280 PolarHBondContact O-N 3.07Å; L276-L288 HydrophobicContact CD2-CD1 4.31Å; L276-Y296 HydrophobicContact CD1-CD2 4.36Å; L276-Y296 HydrophobicContact CD1-CG 4.4Å; L276-Y296 HydrophobicContact CD2-CD2 3.55Å; L276-Y296 HydrophobicContact CD2-CE2 3.66Å; L276-Y296 HydrophobicContact CD2-CG 4.14Å; L276-I300 HydrophobicContact CD1-CD1 4.29Å; L276-P319 HydrophobicContact CB-CB 3.91Å; L276-P319 WeakPolarHBondContact CB-O 3.33Å; L276-P319 PolarHBondContact N-O 3.47Å; L276-V322 HydrophobicContact CB-CB 4.27Å; L276-V322 HydrophobicContact CD1-CB 3.67Å; L276-V322 HydrophobicContact CD1-CG1 3.41Å; L276-V322 VanDerWaalsContact CD1-CG1 3.41Å; L276-V322 HydrophobicContact CD1-CG2 4.29Å; L276-V322 HydrophobicContact CG-CB 3.95Å; L276-V322 HydrophobicContact CG-CG1 3.81Å; L276-V322 PolarHBondContact N-O 2.8Å; L276-L324 HydrophobicContact CD2-CD1 3.61Å; L276-L324 HydrophobicContact CG-CD1 3.87Å; L276-M384 HydrophobicContact CD1-SD 3.94Å
277	K	95.9	Very high	94.2	Very high	82 Å²	82	37.9 Å²	37.9	36%	0.357	22%	0.215	S	C	.	.	H	α-helix	trans	-62.6	-44.5	174.7	174.4	-178.1	-174.2	168.6	0	110.7	D275 H279 I280 Y281 P319 E320	D275-K277 PolarHBondContact O-N 3.17Å; D275-K277 WeakPolarHBondContact OD1-CA 3.42Å; D275-K277 VanDerWaalsContact OD1-CB 3.23Å; D275-K277 WeakPolarHBondContact OD1-CB 3.39Å; D275-K277 PolarHBondContact OD1-N 2.8Å; D275-K277 VanDerWaalsContact OD1-N 3.1Å; K277-H279 VanDerWaalsContact C-N 3.25Å; K277-H279 PolarHBondContact O-N 2.98Å; K277-I280 PolarHBondContact O-N 2.76Å; K277-Y281 HydrophobicContact CG-CD2 3.56Å; K277-Y281 HydrophobicContact CG-CE2 3.87Å; K277-Y281 VanDerWaalsContact O-CD2 3.26Å; K277-Y281 WeakPolarHBondContact O-CD2 3.38Å; K277-Y281 PolarHBondContact O-N 2.88Å; K277-P319 HydrophobicContact CB-CB 4.17Å; K277-P319 PolarHBondContact N-O 3.46Å; K277-E320 HydrophobicContact CB-CG 4Å; K277-E320 VanDerWaalsContact CD-CD 3.47Å; K277-E320 HydrophobicContact CD-CG 3.34Å; K277-E320 WeakPolarHBondContact CD-OE1 3.33Å; K277-E320 HydrophobicContact CG-CG 4.34Å; K277-E320 IonicContact NZ-OE1 3.67Å; K277-E320 PolarHBondContact NZ-OE1 2.76Å
278	F	93.3	Very high	94.1	Very high	50 Å²	50	38.1 Å²	38.1	22%	0.219	22%	0.217	C	C	.	.	H	α-helix	trans	-56.6	-43.5	174.4	-170.9	-87.2	0	0	0	110.8	D275 L276 I280 Y281 N282 V283 Y479	D275-F278 WeakPolarHBondContact O-CB 3.37Å; D275-F278 PolarHBondContact O-N 2.79Å; D275-F278 VanDerWaalsContact O-N 3.1Å; D275-F278 PolarHBondContact OD1-N 3.2Å; L276-F278 VanDerWaalsContact C-N 3.35Å; F278-I280 PolarHBondContact O-N 3.3Å; F278-Y281 PolarHBondContact O-N 2.79Å; F278-N282 HydrophobicContact CD1-CB 4.17Å; F278-N282 HydrophobicContact CD2-CB 3.99Å; F278-N282 HydrophobicContact CE1-CB 4.01Å; F278-N282 HydrophobicContact CE2-CB 3.84Å; F278-N282 HydrophobicContact CG-CB 4.16Å; F278-N282 HydrophobicContact CZ-CB 3.85Å; F278-N282 WeakPolarHBondContact O-CA 3.26Å; F278-N282 VanDerWaalsContact O-CB 3.26Å; F278-N282 WeakPolarHBondContact O-CB 3.44Å; F278-N282 PolarHBondContact O-N 2.78Å; F278-V283 HydrophobicContact CD1-CG2 3.9Å; F278-V283 HydrophobicContact CE1-CG2 3.86Å; F278-V283 PolarHBondContact O-N 2.82Å; F278-Y479 HydrophobicContact CD1-CD1 4.04Å; F278-Y479 AromaticContact CE1-CD1 3.81Å; F278-Y479 HydrophobicContact CE1-CD1 3.81Å
279	H	95.9	Very high	94.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-41.6	175.9	-74.8	-84	0	0	0	113.4	G273 D275 L276 K277 L288 R292 F471	G273-H279 PolarHBondContact O-NE2 3.43Å; D275-H279 PolarHBondContact O-CD2 2.74Å; D275-H279 VanDerWaalsContact O-CD2 3.3Å; D275-H279 PolarHBondContact O-N 2.74Å; L276-H279 WeakPolarHBondContact O-CB 3.12Å; L276-H279 PolarHBondContact O-N 2.58Å; K277-H279 VanDerWaalsContact C-N 3.25Å; K277-H279 PolarHBondContact O-N 2.98Å; H279-L288 HydrophobicContact CB-CD2 4.1Å; H279-R292 PolarHBondContact ND1-NH2 3.01Å; H279-F471 AromaticContact CE1-CE1 3.39Å; H279-F471 WeakPolarHBondContact CE1-CE1 3.36Å; H279-F471 AromaticContact CE1-CZ 3.82Å; H279-F471 AromaticContact ND1-CE1 3.75Å
280	I	96.8	Very high	94.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-37.3	-178.8	-68.3	161.9	0	0	0	112	L276 K277 F278 R286 G287 L288 P319 E383 M384	L276-I280 WeakPolarHBondContact O-CD1 3.34Å; L276-I280 WeakPolarHBondContact O-CG1 3.48Å; L276-I280 PolarHBondContact O-N 3.07Å; K277-I280 PolarHBondContact O-N 2.76Å; F278-I280 PolarHBondContact O-N 3.3Å; I280-R286 WeakPolarHBondContact O-CA 3.5Å; I280-G287 PolarHBondContact O-N 2.86Å; I280-L288 HydrophobicContact CG1-CD1 4.05Å; I280-L288 HydrophobicContact CG1-CD2 4.16Å; I280-L288 HydrophobicContact CG1-CG 3.92Å; I280-P319 HydrophobicContact CD1-CB 3.64Å; I280-P319 HydrophobicContact CD1-CG 3.77Å; I280-E383 HydrophobicContact CD1-CG 4.38Å; I280-M384 HydrophobicContact CD1-CB 4.49Å; I280-M384 HydrophobicContact CD1-CG 3.8Å; I280-M384 HydrophobicContact CG1-CG 4.33Å
281	Y	94.9	Very high	94.4	Very high	44 Å²	44	45.6 Å²	45.6	17%	0.173	26%	0.259	C	S	.	.	H	α-helix	trans	-109.1	-22.8	-168.1	-68.8	-74.3	0	0	0	115	K277 F278 R286 E383 G387 Y394	K277-Y281 HydrophobicContact CG-CD2 3.56Å; K277-Y281 HydrophobicContact CG-CE2 3.87Å; K277-Y281 VanDerWaalsContact O-CD2 3.26Å; K277-Y281 WeakPolarHBondContact O-CD2 3.38Å; K277-Y281 PolarHBondContact O-N 2.88Å; F278-Y281 PolarHBondContact O-N 2.79Å; Y281-R286 HydrophobicContact CD1-CG 4.03Å; Y281-R286 HydrophobicContact CE1-CG 4.37Å; Y281-E383 VanDerWaalsContact CE2-OE1 3.31Å; Y281-E383 WeakPolarHBondContact CE2-OE1 3.46Å; Y281-E383 PolarHBondContact OH-OE1 3.17Å; Y281-G387 VanDerWaalsContact CE1-O 3.24Å; Y281-G387 WeakPolarHBondContact CE1-O 3.41Å; Y281-Y394 AromaticContact CD1-CD2 3.9Å; Y281-Y394 HydrophobicContact CD1-CD2 3.9Å; Y281-Y394 AromaticContact CD1-CE2 3.36Å; Y281-Y394 HydrophobicContact CD1-CE2 3.36Å; Y281-Y394 AromaticContact CE1-CD2 3.33Å; Y281-Y394 HydrophobicContact CE1-CD2 3.33Å; Y281-Y394 AromaticContact CE1-CE2 3.28Å; Y281-Y394 HydrophobicContact CE1-CE2 3.28Å; Y281-Y394 HydrophobicContact CE1-CG 4.43Å; Y281-Y394 HydrophobicContact CG-CE2 4.41Å
282	N	91.4	Very high	94.5	Very high	110 Å²	110	45.5 Å²	45.5	59%	0.588	26%	0.258	S	S	*	.	H	α-helix	trans	-121	-13.6	-170.4	-64	82.1	0	0	0	113.5	F278	F278-N282 HydrophobicContact CD1-CB 4.17Å; F278-N282 HydrophobicContact CD2-CB 3.99Å; F278-N282 HydrophobicContact CE1-CB 4.01Å; F278-N282 HydrophobicContact CE2-CB 3.84Å; F278-N282 HydrophobicContact CG-CB 4.16Å; F278-N282 HydrophobicContact CZ-CB 3.85Å; F278-N282 WeakPolarHBondContact O-CA 3.26Å; F278-N282 VanDerWaalsContact O-CB 3.26Å; F278-N282 WeakPolarHBondContact O-CB 3.44Å; F278-N282 PolarHBondContact O-N 2.78Å
283	V	88.1	Confident	94.8	Very high	37 Å²	37	44.8 Å²	44.8	22%	0.224	25%	0.254	C	S	.	.	S	Bend	trans	-104.9	110.6	178.6	-178.4	0	0	0	0	109.8	F278 Y479	F278-V283 HydrophobicContact CD1-CG2 3.9Å; F278-V283 HydrophobicContact CE1-CG2 3.86Å; F278-V283 PolarHBondContact O-N 2.82Å; V283-Y479 HydrophobicContact CG2-CE1 4.38Å
284	G	87.6	Confident	95.1	Very high	77 Å²	77	46 Å²	46	79%	0.794	26%	0.261	S	S	*	.	S	Bend	trans	68.5	-145	177.1	0	0	0	0	0	113.7
285	T	91.1	Very high	95.3	Very high	124 Å²	124	45.9 Å²	45.9	76%	0.761	26%	0.257	S	S	*	.	S	Bend	trans	-75.2	139.4	173.2	48.6	0	0	0	0	110.3	G287	T285-G287 PolarHBondContact O-N 3.25Å; T285-G287 VanDerWaalsContact O-O 3.06Å
286	R	94.2	Very high	95.5	Very high	103 Å²	103	43.6 Å²	43.6	39%	0.389	25%	0.245	S	C	.	.	S	Bend	trans	-53.9	130.5	-178.9	-171.2	-174.6	64.6	-174.6	-1.3	112	I280 Y281 G387	I280-R286 WeakPolarHBondContact O-CA 3.5Å; Y281-R286 HydrophobicContact CD1-CG 4.03Å; Y281-R286 HydrophobicContact CE1-CG 4.37Å; R286-G387 WeakPolarHBondContact CD-O 3.2Å
287	G	96.1	Very high	95.6	Very high	8 Å²	8	43.5 Å²	43.5	8%	0.082	25%	0.245	C	C	.	.	S	Bend	trans	99.5	176	-169.8	0	0	0	0	0	111.8	I280 T285 M384	I280-G287 PolarHBondContact O-N 2.86Å; T285-G287 PolarHBondContact O-N 3.25Å; T285-G287 VanDerWaalsContact O-O 3.06Å; G287-M384 CarbonylContact C-O 3.58Å; G287-M384 WeakPolarHBondContact CA-O 3.19Å
288	L	97.8	Very high	95.7	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.031	23%	0.228	C	C	.	.			trans	-122.3	151.5	179.6	-53.3	-179.5	0	0	0	110.7	L276 H279 I280 R292 V293 Y296 M384	L276-L288 HydrophobicContact CD2-CD1 4.31Å; H279-L288 HydrophobicContact CB-CD2 4.1Å; I280-L288 HydrophobicContact CG1-CD1 4.05Å; I280-L288 HydrophobicContact CG1-CD2 4.16Å; I280-L288 HydrophobicContact CG1-CG 3.92Å; L288-R292 HydrophobicContact CB-CB 4.31Å; L288-V293 HydrophobicContact CB-CG2 3.93Å; L288-Y296 HydrophobicContact CD1-CD2 4.14Å; L288-Y296 HydrophobicContact CD1-CE2 4.24Å; L288-M384 HydrophobicContact CD1-CB 4.07Å; L288-M384 HydrophobicContact CD1-CG 3.86Å; L288-M384 HydrophobicContact CD1-SD 4.06Å; L288-M384 HydrophobicContact CG-CB 4.49Å; L288-M384 PolarHBondContact N-O 2.83Å
289	D	96.4	Very high	96	Very high	110 Å²	110	37.4 Å²	37.4	59%	0.588	22%	0.218	S	C	*	.			trans	-62.1	144	169.8	-64.4	-54.7	0	0	0	111.4	S291 R292 V293	D289-S291 PolarHBondContact O-N 2.87Å; D289-S291 VanDerWaalsContact O-N 3.12Å; D289-R292 WeakPolarHBondContact O-CA 3.41Å; D289-R292 WeakPolarHBondContact O-CB 3.41Å; D289-R292 PolarHBondContact O-N 3.45Å; D289-V293 WeakPolarHBondContact O-CG2 3.48Å; D289-V293 PolarHBondContact O-N 3.49Å
290	M	97.8	Very high	96.1	Very high	42 Å²	42	37.6 Å²	37.6	21%	0.207	22%	0.219	C	C	.	.	H	α-helix	trans	-58.4	-32.5	-172.2	-170.7	56.4	63.1	0	0	113.4	R292 V293 I294 V385 N418 T420 A423 F453	M290-R292 PolarHBondContact O-N 3.05Å; M290-V293 PolarHBondContact O-N 2.92Å; M290-V293 HydrophobicContact SD-CB 4.13Å; M290-V293 HydrophobicContact SD-CG1 4.4Å; M290-I294 HydrophobicContact CG-CD1 3.89Å; M290-I294 HydrophobicContact CG-CG1 4.3Å; M290-I294 VanDerWaalsContact O-CG1 3.3Å; M290-I294 WeakPolarHBondContact O-CG1 3.46Å; M290-I294 PolarHBondContact O-N 2.85Å; M290-I294 HydrophobicContact SD-CD1 4.41Å; M290-I294 HydrophobicContact SD-CG1 4.25Å; M290-V385 HydrophobicContact CE-CG1 4.32Å; M290-V385 HydrophobicContact CE-CG2 3.86Å; M290-N418 WeakPolarHBondContact CE-O 3.39Å; M290-T420 HydrophobicContact CE-CG2 4.21Å; M290-T420 HydrophobicContact CG-CG2 4.4Å; M290-A423 HydrophobicContact CE-CB 3.94Å; M290-A423 HydrophobicContact SD-CB 4.29Å; M290-F453 HydrophobicContact SD-CE2 3.93Å; M290-F453 HydrophobicContact SD-CZ 4.46Å
291	S	97.8	Very high	96.2	Very high	71 Å²	71	37.6 Å²	37.6	50%	0.497	22%	0.219	S	C	.	.	H	α-helix	trans	-61.5	-42.5	174.1	55.6	0	0	0	0	112.2	D289 F295	D289-S291 PolarHBondContact O-N 2.87Å; D289-S291 VanDerWaalsContact O-N 3.12Å; S291-F295 VanDerWaalsContact O-CB 3.29Å; S291-F295 WeakPolarHBondContact O-CB 3.36Å; S291-F295 PolarHBondContact O-N 3.27Å
292	R	98	Very high	96.4	Very high	18 Å²	18	35.8 Å²	35.8	7%	0.068	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-43.5	173.4	-64	-179.4	69.3	-171.2	1.4	111	H279 L288 D289 M290 F295 Y296 P470 F471	H279-R292 PolarHBondContact ND1-NH2 3.01Å; L288-R292 HydrophobicContact CB-CB 4.31Å; D289-R292 WeakPolarHBondContact O-CA 3.41Å; D289-R292 WeakPolarHBondContact O-CB 3.41Å; D289-R292 PolarHBondContact O-N 3.45Å; M290-R292 PolarHBondContact O-N 3.05Å; R292-F295 PolarHBondContact O-N 2.96Å; R292-Y296 HydrophobicContact CB-CD2 4.23Å; R292-Y296 HydrophobicContact CB-CE2 3.82Å; R292-Y296 HydrophobicContact CG-CE2 4.46Å; R292-Y296 PolarHBondContact NE-OH 2.95Å; R292-Y296 WeakPolarHBondContact O-CD2 3.12Å; R292-Y296 PolarHBondContact O-N 3.36Å; R292-P470 HydrophobicContact CB-CG 4.4Å; R292-P470 HydrophobicContact CG-CB 4.22Å; R292-P470 HydrophobicContact CG-CG 3.97Å; R292-F471 HydrophobicContact CG-CB 4.16Å
293	V	98.7	Very high	96.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.9	-51.2	177.6	-175.6	0	0	0	0	110.6	L288 D289 M290 S297 I381 M384 V385 F453	L288-V293 HydrophobicContact CB-CG2 3.93Å; D289-V293 WeakPolarHBondContact O-CG2 3.48Å; D289-V293 PolarHBondContact O-N 3.49Å; M290-V293 PolarHBondContact O-N 2.92Å; M290-V293 HydrophobicContact SD-CB 4.13Å; M290-V293 HydrophobicContact SD-CG1 4.4Å; V293-S297 WeakPolarHBondContact O-CB 3.46Å; V293-S297 PolarHBondContact O-N 3.5Å; V293-S297 PolarHBondContact O-OG 2.83Å; V293-I381 HydrophobicContact CG1-CG2 4.1Å; V293-M384 HydrophobicContact CG1-CB 4.12Å; V293-M384 HydrophobicContact CG1-CE 4.17Å; V293-M384 HydrophobicContact CG2-CB 4.04Å; V293-V385 HydrophobicContact CG1-CG2 3.86Å; V293-V385 HydrophobicContact CG2-CG2 4.05Å; V293-F453 HydrophobicContact CG1-CZ 4.08Å
294	I	98.8	Very high	97.2	Very high	26 Å²	26	28.8 Å²	28.8	13%	0.133	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-47.7	-179.8	-67.2	164.8	0	0	0	110.5	M290 S297 A298 F453 F454 I457	M290-I294 HydrophobicContact CG-CD1 3.89Å; M290-I294 HydrophobicContact CG-CG1 4.3Å; M290-I294 VanDerWaalsContact O-CG1 3.3Å; M290-I294 WeakPolarHBondContact O-CG1 3.46Å; M290-I294 PolarHBondContact O-N 2.85Å; M290-I294 HydrophobicContact SD-CD1 4.41Å; M290-I294 HydrophobicContact SD-CG1 4.25Å; I294-S297 PolarHBondContact O-N 3.12Å; I294-A298 WeakPolarHBondContact O-CB 3.19Å; I294-A298 PolarHBondContact O-N 3.03Å; I294-F453 HydrophobicContact CB-CE1 4.37Å; I294-F453 HydrophobicContact CB-CZ 4.3Å; I294-F453 HydrophobicContact CG1-CD1 4.47Å; I294-F453 HydrophobicContact CG1-CD2 4.3Å; I294-F453 HydrophobicContact CG1-CE1 3.93Å; I294-F453 HydrophobicContact CG1-CE2 3.73Å; I294-F453 HydrophobicContact CG1-CZ 3.52Å; I294-F454 HydrophobicContact CG2-CD1 4.27Å; I294-I457 HydrophobicContact CG2-CD1 4.1Å; I294-I457 HydrophobicContact CG2-CG1 3.8Å
295	F	98.8	Very high	97.7	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-52.4	-177.7	-176.6	-97.5	0	0	0	112.5	S291 R292 S297 A298 Q299 L462 I467 P469 P470	S291-F295 VanDerWaalsContact O-CB 3.29Å; S291-F295 WeakPolarHBondContact O-CB 3.36Å; S291-F295 PolarHBondContact O-N 3.27Å; R292-F295 PolarHBondContact O-N 2.96Å; F295-S297 VanDerWaalsContact C-N 3.34Å; F295-S297 PolarHBondContact O-N 3.39Å; F295-A298 WeakPolarHBondContact O-CB 3.46Å; F295-A298 PolarHBondContact O-N 2.95Å; F295-Q299 HydrophobicContact CE1-CG 4.44Å; F295-Q299 VanDerWaalsContact CZ-NE2 3.31Å; F295-Q299 PolarHBondContact O-N 3.02Å; F295-L462 HydrophobicContact CD2-CD1 4.25Å; F295-L462 HydrophobicContact CE2-CD1 3.67Å; F295-L462 HydrophobicContact CZ-CD1 4.17Å; F295-I467 HydrophobicContact CD2-CG2 4.22Å; F295-I467 HydrophobicContact CE2-CB 4.23Å; F295-I467 HydrophobicContact CE2-CG2 3.75Å; F295-P469 HydrophobicContact CE1-CB 3.81Å; F295-P469 HydrophobicContact CE1-CG 4.08Å; F295-P469 HydrophobicContact CZ-CB 3.91Å; F295-P469 HydrophobicContact CZ-CG 3.81Å; F295-P470 HydrophobicContact CB-CG 3.75Å; F295-P470 VanDerWaalsContact CD1-CD 3.49Å; F295-P470 HydrophobicContact CD1-CG 4.18Å; F295-P470 HydrophobicContact CG-CG 3.95Å
296	Y	98.8	Very high	98	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.9	-38.4	178.6	-59.5	-39.8	0	0	0	111.8	L276 L288 R292 A298 Q299 I300 L324 G328 C330	L276-Y296 HydrophobicContact CD1-CD2 4.36Å; L276-Y296 HydrophobicContact CD1-CG 4.4Å; L276-Y296 HydrophobicContact CD2-CD2 3.55Å; L276-Y296 HydrophobicContact CD2-CE2 3.66Å; L276-Y296 HydrophobicContact CD2-CG 4.14Å; L288-Y296 HydrophobicContact CD1-CD2 4.14Å; L288-Y296 HydrophobicContact CD1-CE2 4.24Å; R292-Y296 HydrophobicContact CB-CD2 4.23Å; R292-Y296 HydrophobicContact CB-CE2 3.82Å; R292-Y296 HydrophobicContact CG-CE2 4.46Å; R292-Y296 PolarHBondContact NE-OH 2.95Å; R292-Y296 WeakPolarHBondContact O-CD2 3.12Å; R292-Y296 PolarHBondContact O-N 3.36Å; Y296-A298 VanDerWaalsContact C-N 3.27Å; Y296-A298 PolarHBondContact O-N 3.16Å; Y296-Q299 PolarHBondContact O-N 2.94Å; Y296-I300 WeakPolarHBondContact O-CB 3.46Å; Y296-I300 WeakPolarHBondContact O-CD1 3.49Å; Y296-I300 WeakPolarHBondContact O-CG1 3.5Å; Y296-I300 PolarHBondContact O-N 3.28Å; Y296-L324 HydrophobicContact CE1-CD2 4.23Å; Y296-L324 HydrophobicContact CE1-CG 4.49Å; Y296-L324 WeakPolarHBondContact OH-CD2 3.29Å; Y296-G328 WeakPolarHBondContact CE1-O 3.42Å; Y296-C330 HydrophobicContact CD1-CB 3.99Å
297	S	98.8	Very high	98.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-37.9	175.4	-59.5	0	0	0	0	112.1	V293 I294 F295 A301 M377 I381 M384	V293-S297 WeakPolarHBondContact O-CB 3.46Å; V293-S297 PolarHBondContact O-N 3.5Å; V293-S297 PolarHBondContact O-OG 2.83Å; I294-S297 PolarHBondContact O-N 3.12Å; F295-S297 VanDerWaalsContact C-N 3.34Å; F295-S297 PolarHBondContact O-N 3.39Å; S297-A301 WeakPolarHBondContact O-CB 3.34Å; S297-A301 PolarHBondContact O-N 3.33Å; S297-M377 WeakPolarHBondContact O-CE 3.3Å; S297-I381 WeakPolarHBondContact OG-CG1 3.3Å; S297-M384 VanDerWaalsContact OG-CE 3.29Å; S297-M384 WeakPolarHBondContact OG-CE 3.38Å
298	A	98.9	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.3	-43.5	177.6	0	0	0	0	0	111.7	I294 F295 Y296 A301 C302 F454 I457 F459 L462	I294-A298 WeakPolarHBondContact O-CB 3.19Å; I294-A298 PolarHBondContact O-N 3.03Å; F295-A298 WeakPolarHBondContact O-CB 3.46Å; F295-A298 PolarHBondContact O-N 2.95Å; Y296-A298 VanDerWaalsContact C-N 3.27Å; Y296-A298 PolarHBondContact O-N 3.16Å; A298-A301 WeakPolarHBondContact O-CB 3.29Å; A298-A301 PolarHBondContact O-N 3.22Å; A298-C302 PolarHBondContact O-N 2.63Å; A298-C302 VanDerWaalsContact O-N 3.08Å; A298-C302 PolarHBondContact O-SG 2.9Å; A298-F454 HydrophobicContact CB-CD1 3.93Å; A298-F454 HydrophobicContact CB-CE1 3.96Å; A298-I457 HydrophobicContact CB-CG1 4.13Å; A298-I457 HydrophobicContact CB-CG2 4.02Å; A298-F459 HydrophobicContact CB-CE1 3.82Å; A298-F459 HydrophobicContact CB-CZ 3.97Å; A298-L462 HydrophobicContact CB-CD2 3.61Å
299	Q	98.8	Very high	98	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-66.3	-42.9	176.9	-67.7	-169.9	-34.4	0	0	112.3	F250 F295 Y296 A301 C302 G303 N329 C330 L462	F250-Q299 WeakPolarHBondContact CB-O 3.25Å; F250-Q299 HydrophobicContact CD1-CB 3.65Å; F250-Q299 HydrophobicContact CD1-CG 3.91Å; F250-Q299 HydrophobicContact CE1-CB 3.9Å; F250-Q299 HydrophobicContact CE1-CG 3.63Å; F250-Q299 WeakPolarHBondContact CG-O 3.43Å; F295-Q299 HydrophobicContact CE1-CG 4.44Å; F295-Q299 VanDerWaalsContact CZ-NE2 3.31Å; F295-Q299 PolarHBondContact O-N 3.02Å; Y296-Q299 PolarHBondContact O-N 2.94Å; Q299-A301 VanDerWaalsContact C-N 3.32Å; Q299-A301 PolarHBondContact O-N 3.45Å; Q299-C302 PolarHBondContact O-N 3.39Å; Q299-G303 PolarHBondContact O-N 3.33Å; Q299-N329 PolarHBondContact NE2-OD1 2.86Å; Q299-C330 VanDerWaalsContact CB-SG 3.56Å; Q299-C330 PolarHBondContact OE1-SG 3.18Å; Q299-L462 HydrophobicContact CG-CD1 3.92Å; Q299-L462 HydrophobicContact CG-CD2 4.06Å; Q299-L462 HydrophobicContact CG-CG 4.21Å
300	I	98.8	Very high	97.9	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-58.8	-44.4	173.5	-68.3	164	0	0	0	110.1	L276 Y296 C302 G303 M304 M317 V322 L332 M377	L276-I300 HydrophobicContact CD1-CD1 4.29Å; Y296-I300 WeakPolarHBondContact O-CB 3.46Å; Y296-I300 WeakPolarHBondContact O-CD1 3.49Å; Y296-I300 WeakPolarHBondContact O-CG1 3.5Å; Y296-I300 PolarHBondContact O-N 3.28Å; I300-C302 PolarHBondContact O-N 3.18Å; I300-G303 PolarHBondContact O-N 3.13Å; I300-M304 HydrophobicContact CG2-SD 4.05Å; I300-M304 PolarHBondContact O-N 3.26Å; I300-M317 HydrophobicContact CD1-CE 3.96Å; I300-M317 HydrophobicContact CG2-CE 3.8Å; I300-M317 HydrophobicContact CG2-CG 4.36Å; I300-M317 HydrophobicContact CG2-SD 4.3Å; I300-V322 HydrophobicContact CD1-CG1 4.15Å; I300-V322 HydrophobicContact CD1-CG2 3.95Å; I300-V322 HydrophobicContact CG1-CG1 4.13Å; I300-V322 HydrophobicContact CG1-CG2 4.15Å; I300-L332 HydrophobicContact CG1-CD2 4.31Å; I300-L332 HydrophobicContact CG2-CD2 4.2Å; I300-M377 HydrophobicContact CG2-SD 4.37Å
301	A	98.6	Very high	97.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.1	-46	177	0	0	0	0	0	111.8	S297 A298 Q299 G303 M304 L305 W374 M377 R449	S297-A301 WeakPolarHBondContact O-CB 3.34Å; S297-A301 PolarHBondContact O-N 3.33Å; A298-A301 WeakPolarHBondContact O-CB 3.29Å; A298-A301 PolarHBondContact O-N 3.22Å; Q299-A301 VanDerWaalsContact C-N 3.32Å; Q299-A301 PolarHBondContact O-N 3.45Å; A301-G303 PolarHBondContact O-N 3.08Å; A301-M304 PolarHBondContact O-N 3.34Å; A301-L305 WeakPolarHBondContact O-CB 3.47Å; A301-L305 VanDerWaalsContact O-CG 3.29Å; A301-L305 WeakPolarHBondContact O-CG 3.48Å; A301-L305 PolarHBondContact O-N 3.29Å; A301-W374 HydrophobicContact CB-CH2 4.4Å; A301-W374 HydrophobicContact CB-CZ3 4.27Å; A301-M377 HydrophobicContact CB-CE 4.02Å; A301-M377 HydrophobicContact CB-SD 4.41Å; A301-R449 HydrophobicContact CB-CG 4.45Å
302	C	98.6	Very high	97.7	Very high	6 Å²	6	20 Å²	20	4%	0.041	10%	0.101	C	C	.	.	H	α-helix	trans	-60.3	-43.7	176	-69.8	0	0	0	0	112	F250 A298 Q299 I300 L305 H306 E463	F250-C302 HydrophobicContact CD2-CB 3.28Å; F250-C302 HydrophobicContact CE2-CB 3.38Å; F250-C302 HydrophobicContact CG-CB 3.95Å; F250-C302 HydrophobicContact CZ-CB 4.11Å; A298-C302 PolarHBondContact O-N 2.63Å; A298-C302 VanDerWaalsContact O-N 3.08Å; A298-C302 PolarHBondContact O-SG 2.9Å; Q299-C302 PolarHBondContact O-N 3.39Å; I300-C302 PolarHBondContact O-N 3.18Å; C302-L305 PolarHBondContact O-N 2.84Å; C302-H306 WeakPolarHBondContact O-CB 3.4Å; C302-H306 PolarHBondContact O-N 2.85Å; C302-E463 PolarHBondContact SG-OE1 3.32Å; C302-E463 VanDerWaalsContact SG-OE1 3.34Å
303	G	98.4	Very high	97.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62	-43.5	175.6	0	0	0	0	0	113.1	Q299 I300 A301 H306 L307	Q299-G303 PolarHBondContact O-N 3.33Å; I300-G303 PolarHBondContact O-N 3.13Å; A301-G303 PolarHBondContact O-N 3.08Å; G303-H306 PolarHBondContact O-N 3.47Å; G303-L307 PolarHBondContact O-N 3.09Å; G303-L307 VanDerWaalsContact O-N 3.14Å
304	M	98.2	Very high	97.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.4	-44.1	177.1	-77.8	178	29.5	0	0	112.4	I300 A301 H306 L307 H308 M317 L332 D373 W374 M377	I300-M304 HydrophobicContact CG2-SD 4.05Å; I300-M304 PolarHBondContact O-N 3.26Å; A301-M304 PolarHBondContact O-N 3.34Å; M304-H306 VanDerWaalsContact C-N 3.27Å; M304-H306 PolarHBondContact O-N 3.36Å; M304-L307 PolarHBondContact O-N 2.92Å; M304-L307 VanDerWaalsContact O-N 3.16Å; M304-H308 PolarHBondContact O-CD2 3.13Å; M304-H308 VanDerWaalsContact O-CD2 3.23Å; M304-H308 PolarHBondContact O-N 3.15Å; M304-M317 HydrophobicContact SD-CG 3.96Å; M304-L332 HydrophobicContact CG-CD1 3.99Å; M304-D373 HydrophobicContact CE-CB 3.64Å; M304-D373 HydrophobicContact SD-CB 4.19Å; M304-W374 HydrophobicContact CB-CH2 4.25Å; M304-W374 HydrophobicContact CE-CD2 3.47Å; M304-W374 VanDerWaalsContact CE-CD2 3.47Å; M304-W374 HydrophobicContact CE-CE3 3.21Å; M304-W374 HydrophobicContact CE-CG 4.2Å; M304-W374 HydrophobicContact CE-CH2 3.74Å; M304-W374 HydrophobicContact CE-CZ2 3.98Å; M304-W374 HydrophobicContact CE-CZ3 3.37Å; M304-M377 HydrophobicContact CE-CB 4.31Å; M304-M377 HydrophobicContact CE-SD 4.32Å; M304-M377 HydrophobicContact SD-CB 4.24Å; M304-M377 HydrophobicContact SD-SD 4.37Å
305	L	97.6	Very high	97.5	Very high	44 Å²	44	18.9 Å²	18.9	23%	0.23	10%	0.095	C	C	.	.	H	α-helix	trans	-58.8	-41.3	176.4	-75.1	167.4	0	0	0	111.4	A301 C302 L307 H308 E309 W374 R449	A301-L305 WeakPolarHBondContact O-CB 3.47Å; A301-L305 VanDerWaalsContact O-CG 3.29Å; A301-L305 WeakPolarHBondContact O-CG 3.48Å; A301-L305 PolarHBondContact O-N 3.29Å; C302-L305 PolarHBondContact O-N 2.84Å; L305-L307 PolarHBondContact O-N 3.31Å; L305-H308 PolarHBondContact O-N 2.87Å; L305-E309 WeakPolarHBondContact O-CB 3.49Å; L305-E309 PolarHBondContact O-N 3.15Å; L305-W374 HydrophobicContact CD2-CH2 4.15Å; L305-W374 HydrophobicContact CD2-CZ2 3.8Å; L305-W374 HydrophobicContact CG-CH2 3.95Å; L305-W374 HydrophobicContact CG-CZ2 4.08Å; L305-R449 HydrophobicContact CD1-CG 3.94Å
306	H	97.8	Very high	97.4	Very high	44 Å²	44	18.9 Å²	18.9	20%	0.204	10%	0.095	C	C	.	.	H	α-helix	trans	-61.1	-43.3	175.3	-173.7	84.9	0	0	0	112.6	S247 I251 C302 G303 M304 L310	S247-H306 PolarHBondContact O-CE1 3.04Å; S247-H306 PolarHBondContact O-NE2 3.19Å; I251-H306 HydrophobicContact CD1-CB 4.42Å; C302-H306 WeakPolarHBondContact O-CB 3.4Å; C302-H306 PolarHBondContact O-N 2.85Å; G303-H306 PolarHBondContact O-N 3.47Å; M304-H306 VanDerWaalsContact C-N 3.27Å; M304-H306 PolarHBondContact O-N 3.36Å; H306-L310 WeakPolarHBondContact NE2-CD1 3.28Å; H306-L310 WeakPolarHBondContact O-CG 3.3Å; H306-L310 PolarHBondContact O-N 2.95Å
307	L	97.6	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.3	-44.3	174	-70.2	174.5	0	0	0	111.4	V246 I251 G303 M304 L305 E309 L310 G311 I312 Y314 L332 L335	V246-L307 HydrophobicContact CG2-CD2 3.71Å; I251-L307 HydrophobicContact CD1-CD1 4.29Å; I251-L307 HydrophobicContact CD1-CD2 3.77Å; I251-L307 HydrophobicContact CD1-CG 3.66Å; G303-L307 PolarHBondContact O-N 3.09Å; G303-L307 VanDerWaalsContact O-N 3.14Å; M304-L307 PolarHBondContact O-N 2.92Å; M304-L307 VanDerWaalsContact O-N 3.16Å; L305-L307 PolarHBondContact O-N 3.31Å; L307-E309 PolarHBondContact O-N 2.81Å; L307-L310 PolarHBondContact O-N 3.45Å; L307-G311 PolarHBondContact O-N 3.01Å; L307-I312 CarbonylContact C-O 3.54Å; L307-I312 HydrophobicContact CB-CB 4.27Å; L307-I312 HydrophobicContact CD2-CB 4.34Å; L307-I312 HydrophobicContact CD2-CD1 4.45Å; L307-I312 HydrophobicContact CD2-CG2 4.17Å; L307-I312 WeakPolarHBondContact O-CA 3.36Å; L307-I312 WeakPolarHBondContact O-CB 3.49Å; L307-I312 PolarHBondContact O-N 2.76Å; L307-Y314 HydrophobicContact CD1-CD2 4.43Å; L307-Y314 HydrophobicContact CD1-CG 4.08Å; L307-L332 HydrophobicContact CD1-CD1 4.27Å; L307-L335 HydrophobicContact CD1-CD2 4.15Å; L307-L335 HydrophobicContact CD2-CD2 4.49Å
308	H	95.8	Very high	97.4	Very high	24 Å²	24	20.1 Å²	20.1	11%	0.111	10%	0.101	C	C	.	.	H	α-helix	trans	-64.6	-39.4	-178.3	-63.1	175.3	0	0	0	111.8	M304 L305 L310 G311 I312 Y370 D373 W374	M304-H308 PolarHBondContact O-CD2 3.13Å; M304-H308 VanDerWaalsContact O-CD2 3.23Å; M304-H308 PolarHBondContact O-N 3.15Å; L305-H308 PolarHBondContact O-N 2.87Å; H308-L310 VanDerWaalsContact C-N 3.29Å; H308-L310 PolarHBondContact O-N 3.27Å; H308-G311 PolarHBondContact O-N 3.3Å; H308-I312 PolarHBondContact CD2-O 3.29Å; H308-Y370 HydrophobicContact CB-CD1 4.06Å; H308-Y370 HydrophobicContact CB-CE1 4.43Å; H308-Y370 HydrophobicContact CB-CG 4.13Å; H308-Y370 AromaticContact CD2-CD1 3.31Å; H308-Y370 WeakPolarHBondContact CD2-CD1 3.42Å; H308-Y370 AromaticContact CD2-CG 3.79Å; H308-Y370 AromaticContact CG-CD1 3.7Å; H308-Y370 AromaticContact CG-CG 3.78Å; H308-Y370 AromaticContact NE2-CD1 3.9Å; H308-D373 IonicContact CD2-OD2 3.71Å; H308-D373 IonicContact CE1-OD2 3.77Å; H308-D373 IonicContact NE2-OD2 2.64Å; H308-D373 PolarHBondContact NE2-OD2 3.08Å; H308-W374 AromaticContact CE1-CE2 3.87Å; H308-W374 AromaticContact CE1-NE1 3.71Å; H308-W374 AromaticContact ND1-CZ2 3.92Å; H308-W374 AromaticContact ND1-NE1 3.83Å
309	E	95	Very high	97.3	Very high	164 Å²	164	20.2 Å²	20.2	77%	0.766	10%	0.101	S	C	*	.	H	α-helix	trans	-59.9	-38.9	174.2	-175.7	174.7	-168	0	0	112.1	L305 L307 G311	L305-E309 WeakPolarHBondContact O-CB 3.49Å; L305-E309 PolarHBondContact O-N 3.15Å; L307-E309 PolarHBondContact O-N 2.81Å; E309-G311 PolarHBondContact O-N 2.85Å
310	L	94.8	Very high	97.2	Very high	64 Å²	64	22.4 Å²	22.4	34%	0.335	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	2.5	176.4	-67.2	178.2	0	0	0	114.4	V246 H306 L307 H308 I312 Q340	V246-L310 HydrophobicContact CG2-CD1 3.9Å; H306-L310 WeakPolarHBondContact NE2-CD1 3.28Å; H306-L310 WeakPolarHBondContact O-CG 3.3Å; H306-L310 PolarHBondContact O-N 2.95Å; L307-L310 PolarHBondContact O-N 3.45Å; H308-L310 VanDerWaalsContact C-N 3.29Å; H308-L310 PolarHBondContact O-N 3.27Å; L310-I312 HydrophobicContact CB-CD1 3.93Å; L310-I312 HydrophobicContact CB-CG1 4.12Å; L310-Q340 PolarHBondContact O-NE2 3.28Å
311	G	94.7	Very high	97.1	Very high	16 Å²	16	22.8 Å²	22.8	17%	0.165	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	18.9	179.8	0	0	0	0	0	113.7	L307 H308 E309 Q340 M341 Y370	L307-G311 PolarHBondContact O-N 3.01Å; H308-G311 PolarHBondContact O-N 3.3Å; E309-G311 PolarHBondContact O-N 2.85Å; G311-Q340 CarbonylContact O-C 3.56Å; G311-Q340 WeakPolarHBondContact O-CA 3.47Å; G311-M341 PolarHBondContact O-N 3.03Å; G311-Y370 WeakPolarHBondContact CA-OH 3.25Å; G311-Y370 PolarHBondContact O-OH 2.88Å
312	I	96.3	Very high	97.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.8	-165.9	-54.9	175.6	0	0	0	111	I242 V246 L307 H308 L310 A338 V339 Q340 Y370	I242-I312 HydrophobicContact CD1-CG2 4.11Å; I242-I312 HydrophobicContact CG1-CD1 4.31Å; I242-I312 HydrophobicContact CG2-CD1 3.96Å; I242-I312 HydrophobicContact CG2-CG2 4.36Å; V246-I312 HydrophobicContact CG2-CD1 4.15Å; L307-I312 CarbonylContact C-O 3.54Å; L307-I312 HydrophobicContact CB-CB 4.27Å; L307-I312 HydrophobicContact CD2-CB 4.34Å; L307-I312 HydrophobicContact CD2-CD1 4.45Å; L307-I312 HydrophobicContact CD2-CG2 4.17Å; L307-I312 WeakPolarHBondContact O-CA 3.36Å; L307-I312 WeakPolarHBondContact O-CB 3.49Å; L307-I312 PolarHBondContact O-N 2.76Å; H308-I312 PolarHBondContact CD2-O 3.29Å; L310-I312 HydrophobicContact CB-CD1 3.93Å; L310-I312 HydrophobicContact CB-CG1 4.12Å; I312-A338 HydrophobicContact CG2-CB 4.05Å; I312-V339 WeakPolarHBondContact CA-O 3.27Å; I312-Q340 HydrophobicContact CG1-CB 4.41Å; I312-Q340 HydrophobicContact CG1-CG 4.31Å; I312-Y370 VanDerWaalsContact C-CE1 3.47Å; I312-Y370 WeakPolarHBondContact O-CE1 3.39Å
313	V	96.8	Very high	97	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.4	172.7	-167.5	0	0	0	0	108.3	R315 A338 V339 M341 I347 Y370 V372	V313-R315 HydrophobicContact CB-CG 4.09Å; V313-R315 HydrophobicContact CG1-CG 3.54Å; V313-A338 CarbonylContact O-C 3.54Å; V313-A338 WeakPolarHBondContact O-CA 3Å; V313-V339 HydrophobicContact CB-CG1 4.15Å; V313-V339 HydrophobicContact CG2-CG1 4.47Å; V313-V339 PolarHBondContact N-O 3.48Å; V313-V339 PolarHBondContact O-N 2.69Å; V313-M341 HydrophobicContact CG2-CG 3.89Å; V313-M341 HydrophobicContact CG2-SD 4Å; V313-I347 HydrophobicContact CG2-CD1 3.75Å; V313-Y370 HydrophobicContact CB-CD1 4.17Å; V313-Y370 HydrophobicContact CB-CE1 4.39Å; V313-Y370 HydrophobicContact CG2-CD1 3.52Å; V313-Y370 HydrophobicContact CG2-CE1 3.54Å; V313-Y370 HydrophobicContact CG2-CG 4.43Å; V313-V372 HydrophobicContact CG1-CG2 3.65Å
314	Y	97.6	Very high	97	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	12%	0.122	C	C	.	.			trans	-77.1	-45.7	-172.9	-179.4	-152.5	0	0	0	113	L307 D316 M317 N321 L332 S333 L335 L337 A338 D373	L307-Y314 HydrophobicContact CD1-CD2 4.43Å; L307-Y314 HydrophobicContact CD1-CG 4.08Å; Y314-D316 PolarHBondContact O-N 2.84Å; Y314-D316 VanDerWaalsContact O-N 3.09Å; Y314-M317 HydrophobicContact CD1-CB 3.84Å; Y314-M317 HydrophobicContact CE1-CB 3.86Å; Y314-M317 HydrophobicContact CE1-CG 4.37Å; Y314-N321 VanDerWaalsContact OH-CB 3.23Å; Y314-N321 WeakPolarHBondContact OH-CB 3.41Å; Y314-L332 HydrophobicContact CD1-CD1 4.29Å; Y314-L332 HydrophobicContact CE1-CB 4.43Å; Y314-L332 HydrophobicContact CE1-CD1 4.21Å; Y314-L332 HydrophobicContact CE1-CD2 4.07Å; Y314-L332 HydrophobicContact CE1-CG 4.47Å; Y314-S333 PolarHBondContact OH-O 2.86Å; Y314-L335 HydrophobicContact CD2-CD2 3.54Å; Y314-L335 HydrophobicContact CE2-CD2 3.61Å; Y314-L337 CarbonylContact O-C 3.41Å; Y314-A338 WeakPolarHBondContact O-CA 3.47Å; Y314-A338 PolarHBondContact O-N 3.37Å; Y314-D373 PolarHBondContact N-OD1 3.27Å; Y314-D373 PolarHBondContact N-OD2 3.02Å
315	R	97.2	Very high	96.9	Very high	19 Å²	19	25.7 Å²	25.7	7%	0.072	13%	0.128	C	C	.	.			trans	64.2	-1.3	174.4	-51.8	-169.8	-62.6	173.5	-3.1	117.5	V313 L337 G352 Y368 V372 D373	V313-R315 HydrophobicContact CB-CG 4.09Å; V313-R315 HydrophobicContact CG1-CG 3.54Å; R315-L337 PolarHBondContact NE-O 2.91Å; R315-L337 PolarHBondContact NH2-O 2.78Å; R315-G352 VanDerWaalsContact O-CA 3.31Å; R315-G352 WeakPolarHBondContact O-CA 3.37Å; R315-Y368 WeakPolarHBondContact CD-OH 3.48Å; R315-Y368 HydrophobicContact CG-CE2 4.33Å; R315-Y368 PolarHBondContact NH1-OH 2.9Å; R315-V372 HydrophobicContact CG-CG2 4.43Å; R315-D373 WeakPolarHBondContact CA-OD1 3.39Å; R315-D373 PolarHBondContact N-OD1 2.77Å
316	D	96.8	Very high	96.7	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.037	13%	0.134	C	C	.	.			trans	-139.1	38.4	177.6	-153.8	38.6	0	0	0	113.2	Y314 K318 N321 L337 T353	Y314-D316 PolarHBondContact O-N 2.84Å; Y314-D316 VanDerWaalsContact O-N 3.09Å; D316-K318 PolarHBondContact O-N 2.79Å; D316-K318 IonicContact OD1-NZ 3.76Å; D316-K318 PolarHBondContact OD1-NZ 3.35Å; D316-K318 VanDerWaalsContact OD2-CE 3.27Å; D316-K318 WeakPolarHBondContact OD2-CE 3.26Å; D316-K318 IonicContact OD2-NZ 2.69Å; D316-K318 PolarHBondContact OD2-NZ 2.84Å; D316-N321 PolarHBondContact O-ND2 3.2Å; D316-N321 PolarHBondContact OD2-ND2 3.34Å; D316-L337 HydrophobicContact CB-CB 4.2Å; D316-L337 HydrophobicContact CB-CD1 4Å; D316-L337 HydrophobicContact CB-CG 4.49Å; D316-T353 PolarHBondContact OD1-N 2.95Å; D316-T353 PolarHBondContact OD1-OG1 3.48Å
317	M	98.1	Very high	96.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.154	C	C	.	.			trans	-65.9	118.2	169.3	-166.8	-9.9	-141	0	0	109.7	I300 M304 Y314 V322 A376 S380	I300-M317 HydrophobicContact CD1-CE 3.96Å; I300-M317 HydrophobicContact CG2-CE 3.8Å; I300-M317 HydrophobicContact CG2-CG 4.36Å; I300-M317 HydrophobicContact CG2-SD 4.3Å; M304-M317 HydrophobicContact SD-CG 3.96Å; Y314-M317 HydrophobicContact CD1-CB 3.84Å; Y314-M317 HydrophobicContact CE1-CB 3.86Å; Y314-M317 HydrophobicContact CE1-CG 4.37Å; M317-V322 HydrophobicContact CE-CG2 4.47Å; M317-V322 HydrophobicContact SD-CG2 3.96Å; M317-A376 HydrophobicContact CB-CB 3.82Å; M317-A376 WeakPolarHBondContact O-CB 3.28Å; M317-S380 WeakPolarHBondContact CE-OG 3.29Å
318	K	98.1	Very high	96.5	Very high	25 Å²	25	30.2 Å²	30.2	11%	0.109	15%	0.154	C	C	.	.	S	Bend	trans	-160.4	159.6	172.2	59.4	-171	169.4	-160.8	0	109.3	D316 E320 N321 T353 Y356	D316-K318 PolarHBondContact O-N 2.79Å; D316-K318 IonicContact OD1-NZ 3.76Å; D316-K318 PolarHBondContact OD1-NZ 3.35Å; D316-K318 VanDerWaalsContact OD2-CE 3.27Å; D316-K318 WeakPolarHBondContact OD2-CE 3.26Å; D316-K318 IonicContact OD2-NZ 2.69Å; D316-K318 PolarHBondContact OD2-NZ 2.84Å; K318-E320 WeakPolarHBondContact CB-OE2 3.35Å; K318-E320 HydrophobicContact CD-CB 4.18Å; K318-E320 WeakPolarHBondContact CD-OE2 3.41Å; K318-E320 HydrophobicContact CG-CB 4.09Å; K318-E320 WeakPolarHBondContact CG-OE2 3.26Å; K318-E320 PolarHBondContact O-N 3.47Å; K318-E320 VanDerWaalsContact O-N 3.13Å; K318-N321 WeakPolarHBondContact CE-ND2 3.23Å; K318-N321 WeakPolarHBondContact CE-OD1 3.46Å; K318-N321 HydrophobicContact CG-CB 4.3Å; K318-N321 PolarHBondContact O-N 2.84Å; K318-T353 HydrophobicContact CD-CG2 4.15Å; K318-T353 WeakPolarHBondContact CD-OG1 3.14Å; K318-T353 PolarHBondContact NZ-OG1 3.45Å; K318-Y356 HydrophobicContact CB-CD1 3.92Å; K318-Y356 HydrophobicContact CB-CD2 4.07Å; K318-Y356 HydrophobicContact CB-CE1 3.71Å; K318-Y356 HydrophobicContact CB-CE2 3.82Å; K318-Y356 HydrophobicContact CB-CG 4.08Å; K318-Y356 HydrophobicContact CD-CE2 4.49Å
319	P	98.1	Very high	96.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-56.5	-29.1	179.5	-27.9	37.4	0	0	0	114.8	L276 K277 I280 N321 V322 Y356 E383	L276-P319 HydrophobicContact CB-CB 3.91Å; L276-P319 WeakPolarHBondContact CB-O 3.33Å; L276-P319 PolarHBondContact N-O 3.47Å; K277-P319 HydrophobicContact CB-CB 4.17Å; K277-P319 PolarHBondContact N-O 3.46Å; I280-P319 HydrophobicContact CD1-CB 3.64Å; I280-P319 HydrophobicContact CD1-CG 3.77Å; P319-N321 PolarHBondContact O-N 3.04Å; P319-V322 PolarHBondContact O-N 2.9Å; P319-Y356 WeakPolarHBondContact CD-OH 3.45Å; P319-E383 HydrophobicContact CG-CG 4.5Å; P319-E383 WeakPolarHBondContact CG-OE2 3.27Å
320	E	95.5	Very high	96.8	Very high	49 Å²	49	22.8 Å²	22.8	23%	0.229	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-60.7	-29.3	174.4	-67.9	95.5	150.5	0	0	114.3	D275 K277 K318 Y356	D275-E320 WeakPolarHBondContact CB-O 3.47Å; K277-E320 HydrophobicContact CB-CG 4Å; K277-E320 VanDerWaalsContact CD-CD 3.47Å; K277-E320 HydrophobicContact CD-CG 3.34Å; K277-E320 WeakPolarHBondContact CD-OE1 3.33Å; K277-E320 HydrophobicContact CG-CG 4.34Å; K277-E320 IonicContact NZ-OE1 3.67Å; K277-E320 PolarHBondContact NZ-OE1 2.76Å; K318-E320 WeakPolarHBondContact CB-OE2 3.35Å; K318-E320 HydrophobicContact CD-CB 4.18Å; K318-E320 WeakPolarHBondContact CD-OE2 3.41Å; K318-E320 HydrophobicContact CG-CB 4.09Å; K318-E320 WeakPolarHBondContact CG-OE2 3.26Å; K318-E320 PolarHBondContact O-N 3.47Å; K318-E320 VanDerWaalsContact O-N 3.13Å; E320-Y356 PolarHBondContact OE2-OH 3.17Å
321	N	97.4	Very high	97	Very high	12 Å²	12	22.2 Å²	22.2	6%	0.064	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-99.5	6	-175.6	-68.1	-1.3	0	0	0	112.5	Y314 D316 K318 P319 S333	Y314-N321 VanDerWaalsContact OH-CB 3.23Å; Y314-N321 WeakPolarHBondContact OH-CB 3.41Å; D316-N321 PolarHBondContact O-ND2 3.2Å; D316-N321 PolarHBondContact OD2-ND2 3.34Å; K318-N321 WeakPolarHBondContact CE-ND2 3.23Å; K318-N321 WeakPolarHBondContact CE-OD1 3.46Å; K318-N321 HydrophobicContact CG-CB 4.3Å; K318-N321 PolarHBondContact O-N 2.84Å; P319-N321 PolarHBondContact O-N 3.04Å; N321-S333 PolarHBondContact O-N 2.88Å; N321-S333 PolarHBondContact O-OG 3.35Å
322	V	98.4	Very high	97.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	113.8	174.5	-176.5	0	0	0	0	108.2	D275 L276 I300 M317 P319 C330 R331 L332	D275-V322 CarbonylContact C-O 3.37Å; D275-V322 WeakPolarHBondContact CA-O 3.4Å; L276-V322 HydrophobicContact CB-CB 4.27Å; L276-V322 HydrophobicContact CD1-CB 3.67Å; L276-V322 HydrophobicContact CD1-CG1 3.41Å; L276-V322 VanDerWaalsContact CD1-CG1 3.41Å; L276-V322 HydrophobicContact CD1-CG2 4.29Å; L276-V322 HydrophobicContact CG-CB 3.95Å; L276-V322 HydrophobicContact CG-CG1 3.81Å; L276-V322 PolarHBondContact N-O 2.8Å; I300-V322 HydrophobicContact CD1-CG1 4.15Å; I300-V322 HydrophobicContact CD1-CG2 3.95Å; I300-V322 HydrophobicContact CG1-CG1 4.13Å; I300-V322 HydrophobicContact CG1-CG2 4.15Å; M317-V322 HydrophobicContact CE-CG2 4.47Å; M317-V322 HydrophobicContact SD-CG2 3.96Å; P319-V322 PolarHBondContact O-N 2.9Å; V322-C330 HydrophobicContact CG1-CB 3.64Å; V322-R331 WeakPolarHBondContact CA-O 3.47Å; V322-L332 HydrophobicContact CG2-CD2 4.01Å
323	L	97.9	Very high	97.1	Very high	41 Å²	41	22 Å²	22	22%	0.215	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	145.3	-172.7	-51.2	179.4	0	0	0	110.9	M271 G274 D275 C330 R331 S333	M271-L323 HydrophobicContact CB-CB 3.43Å; M271-L323 VanDerWaalsContact CB-CB 3.43Å; M271-L323 HydrophobicContact CB-CD1 3.99Å; M271-L323 HydrophobicContact CB-CG 4.35Å; M271-L323 HydrophobicContact CE-CB 4.38Å; M271-L323 WeakPolarHBondContact CE-O 3.33Å; M271-L323 HydrophobicContact CG-CB 3.7Å; M271-L323 HydrophobicContact CG-CD1 3.97Å; M271-L323 HydrophobicContact CG-CG 4.5Å; G274-L323 CarbonylContact O-C 3.07Å; G274-L323 WeakPolarHBondContact O-CA 3.34Å; D275-L323 HydrophobicContact CB-CD2 3.67Å; L323-C330 CarbonylContact O-C 3.54Å; L323-C330 WeakPolarHBondContact O-CA 3.38Å; L323-R331 PolarHBondContact N-O 3.29Å; L323-R331 PolarHBondContact O-N 3.1Å; L323-S333 WeakPolarHBondContact CG-OG 3.3Å
324	L	97.9	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141.1	178.9	-79.3	70.9	0	0	0	111.7	M271 N272 G273 G274 L276 Y296 N329 C330 F471 P473	M271-L324 CarbonylContact C-O 3.53Å; M271-L324 WeakPolarHBondContact CA-O 3.41Å; M271-L324 WeakPolarHBondContact CB-O 3.33Å; N272-L324 PolarHBondContact N-O 2.98Å; G273-L324 VanDerWaalsContact CA-O 3.3Å; G273-L324 WeakPolarHBondContact CA-O 3.29Å; G273-L324 PolarHBondContact N-O 3.09Å; G274-L324 PolarHBondContact O-N 2.75Å; L276-L324 HydrophobicContact CD2-CD1 3.61Å; L276-L324 HydrophobicContact CG-CD1 3.87Å; Y296-L324 HydrophobicContact CE1-CD2 4.23Å; Y296-L324 HydrophobicContact CE1-CG 4.49Å; Y296-L324 WeakPolarHBondContact OH-CD2 3.29Å; L324-N329 CarbonylContact C-O 3.44Å; L324-N329 VanDerWaalsContact CA-O 3.31Å; L324-N329 WeakPolarHBondContact CA-O 3.48Å; L324-C330 HydrophobicContact CD1-CB 4.33Å; L324-C330 HydrophobicContact CG-CB 4.48Å; L324-F471 HydrophobicContact CD2-CD1 4.31Å; L324-P473 HydrophobicContact CB-CG 4.46Å; L324-P473 HydrophobicContact CD2-CG 4.37Å
325	D	95.5	Very high	96.7	Very high	26 Å²	26	25 Å²	25	14%	0.139	13%	0.125	C	C	.	.			trans	-86.7	179.2	169	67.7	20.4	0	0	0	111.7	M271 L327 G328 N329 P473	M271-D325 HydrophobicContact CE-CB 3.82Å; M271-D325 HydrophobicContact SD-CB 4.28Å; D325-L327 PolarHBondContact O-N 3.01Å; D325-L327 WeakPolarHBondContact OD1-CA 3.43Å; D325-L327 WeakPolarHBondContact OD1-CB 3.49Å; D325-L327 PolarHBondContact OD1-N 3.39Å; D325-G328 PolarHBondContact O-N 3.07Å; D325-G328 PolarHBondContact OD1-N 3.44Å; D325-N329 PolarHBondContact N-O 2.77Å; D325-N329 PolarHBondContact OD1-N 3.1Å; D325-P473 WeakPolarHBondContact O-CG 3.49Å
326	D	93.3	Very high	96.4	Very high	66 Å²	66	24.5 Å²	24.5	35%	0.353	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.2	179.6	-68.1	-56.4	0	0	0	113.6	R20 N272	R20-D326 IonicContact CZ-OD1 3.15Å; R20-D326 IonicContact NE-OD1 3.49Å; R20-D326 IonicContact NH2-OD1 2.83Å; R20-D326 PolarHBondContact NH2-OD1 3.22Å; N272-D326 WeakPolarHBondContact CB-OD1 3.45Å; N272-D326 PolarHBondContact ND2-OD1 3.36Å; N272-D326 PolarHBondContact ND2-OD2 3.07Å
327	L	95.1	Very high	96.2	Very high	117 Å²	117	26.2 Å²	26.2	61%	0.613	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-12	179.4	-59.1	179	0	0	0	111.7	D325 P469	D325-L327 PolarHBondContact O-N 3.01Å; D325-L327 WeakPolarHBondContact OD1-CA 3.43Å; D325-L327 WeakPolarHBondContact OD1-CB 3.49Å; D325-L327 PolarHBondContact OD1-N 3.39Å; L327-P469 VanDerWaalsContact O-CG 3.28Å; L327-P469 WeakPolarHBondContact O-CG 3.19Å
328	G	96.8	Very high	96.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	93.3	9	-178.8	0	0	0	0	0	114.6	Y296 D325 F471	Y296-G328 WeakPolarHBondContact CE1-O 3.42Å; D325-G328 PolarHBondContact O-N 3.07Å; D325-G328 PolarHBondContact OD1-N 3.44Å; G328-F471 WeakPolarHBondContact CA-O 3.3Å
329	N	98.2	Very high	95.9	Very high	31 Å²	31	26.4 Å²	26.4	17%	0.166	14%	0.139	C	C	.	.			trans	-80.2	148.7	169.8	-62.9	-67	0	0	0	110.4	Q299 L324 D325	Q299-N329 PolarHBondContact NE2-OD1 2.86Å; L324-N329 CarbonylContact C-O 3.44Å; L324-N329 VanDerWaalsContact CA-O 3.31Å; L324-N329 WeakPolarHBondContact CA-O 3.48Å; D325-N329 PolarHBondContact N-O 2.77Å; D325-N329 PolarHBondContact OD1-N 3.1Å
330	C	98.2	Very high	95.6	Very high	1 Å²	1	29 Å²	29	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	149.8	-179.8	81.8	0	0	0	0	112.9	Y296 Q299 V322 L323 L324	Y296-C330 HydrophobicContact CD1-CB 3.99Å; Q299-C330 VanDerWaalsContact CB-SG 3.56Å; Q299-C330 PolarHBondContact OE1-SG 3.18Å; V322-C330 HydrophobicContact CG1-CB 3.64Å; L323-C330 CarbonylContact O-C 3.54Å; L323-C330 WeakPolarHBondContact O-CA 3.38Å; L324-C330 HydrophobicContact CD1-CB 4.33Å; L324-C330 HydrophobicContact CG-CB 4.48Å
331	R	98.6	Very high	95.3	Very high	53 Å²	53	30 Å²	30	20%	0.2	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.6	174.7	-57.6	-174.7	-177.5	-134.7	0.1	111.3	P249 F250 I251 V252 M271 V322 L323	P249-R331 WeakPolarHBondContact O-CD 3.43Å; P249-R331 WeakPolarHBondContact O-CG 3.33Å; P249-R331 PolarHBondContact O-NE 3.33Å; P249-R331 VanDerWaalsContact O-NE 3.07Å; P249-R331 PolarHBondContact O-NH1 2.93Å; F250-R331 CarbonylContact O-C 3.59Å; F250-R331 VanDerWaalsContact O-CA 3.29Å; F250-R331 WeakPolarHBondContact O-CA 3.47Å; I251-R331 PolarHBondContact O-NH1 2.76Å; V252-R331 HydrophobicContact CG1-CB 4.19Å; M271-R331 HydrophobicContact CE-CB 3.78Å; M271-R331 HydrophobicContact CE-CG 3.55Å; M271-R331 HydrophobicContact SD-CB 4.5Å; M271-R331 HydrophobicContact SD-CG 4.28Å; V322-R331 WeakPolarHBondContact CA-O 3.47Å; L323-R331 PolarHBondContact N-O 3.29Å; L323-R331 PolarHBondContact O-N 3.1Å
332	L	98.5	Very high	94.6	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	140.9	168.1	-57.8	-179.8	0	0	0	110.1	F250 I251 V252 I300 M304 L307 Y314 V322	F250-L332 PolarHBondContact O-N 3.49Å; I251-L332 HydrophobicContact CG1-CB 4.34Å; V252-L332 PolarHBondContact N-O 3.19Å; I300-L332 HydrophobicContact CG1-CD2 4.31Å; I300-L332 HydrophobicContact CG2-CD2 4.2Å; M304-L332 HydrophobicContact CG-CD1 3.99Å; L307-L332 HydrophobicContact CD1-CD1 4.27Å; Y314-L332 HydrophobicContact CD1-CD1 4.29Å; Y314-L332 HydrophobicContact CE1-CB 4.43Å; Y314-L332 HydrophobicContact CE1-CD1 4.21Å; Y314-L332 HydrophobicContact CE1-CD2 4.07Å; Y314-L332 HydrophobicContact CE1-CG 4.47Å; V322-L332 HydrophobicContact CG2-CD2 4.01Å
333	S	96.1	Very high	93.6	Very high	10 Å²	10	39.6 Å²	39.6	7%	0.07	22%	0.218	C	C	.	.			trans	-135.9	177.6	-179.5	70.7	0	0	0	0	112	Y314 N321 L323	Y314-S333 PolarHBondContact OH-O 2.86Å; N321-S333 PolarHBondContact O-N 2.88Å; N321-S333 PolarHBondContact O-OG 3.35Å; L323-S333 WeakPolarHBondContact CG-OG 3.3Å
334	D	92.1	Very high	92.5	Very high	63 Å²	63	45.7 Å²	45.7	34%	0.337	25%	0.251	S	S	.	.			trans	51.2	73.4	178.6	-159.5	16.2	0	0	0	114.5	K220 G336	K220-D334 IonicContact NZ-OD1 3.28Å; K220-D334 PolarHBondContact NZ-OD1 2.97Å; D334-G336 PolarHBondContact O-N 3.39Å
335	L	94	Very high	91.8	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-82.3	15.6	178.1	-62.8	173.3	0	0	0	112.6	E239 I242 L243 I251 L307 Y314 L337 A338	E239-L335 HydrophobicContact CG-CB 4.29Å; I242-L335 HydrophobicContact CG2-CB 4.25Å; I242-L335 HydrophobicContact CG2-CD1 3.55Å; I242-L335 HydrophobicContact CG2-CG 4.38Å; L243-L335 HydrophobicContact CD2-CD1 3.49Å; L243-L335 VanDerWaalsContact CD2-CD1 3.49Å; L243-L335 HydrophobicContact CD2-CG 4.31Å; L243-L335 HydrophobicContact CG-CD1 3.94Å; I251-L335 HydrophobicContact CG2-CD1 4.16Å; L307-L335 HydrophobicContact CD1-CD2 4.15Å; L307-L335 HydrophobicContact CD2-CD2 4.49Å; Y314-L335 HydrophobicContact CD2-CD2 3.54Å; Y314-L335 HydrophobicContact CE2-CD2 3.61Å; L335-L337 PolarHBondContact O-N 3.28Å; L335-A338 HydrophobicContact CB-CB 4.1Å; L335-A338 HydrophobicContact CD2-CB 4.19Å; L335-A338 VanDerWaalsContact O-CB 3.3Å; L335-A338 WeakPolarHBondContact O-CB 3.46Å; L335-A338 PolarHBondContact O-N 2.61Å
336	G	90.3	Very high	91.3	Very high	9 Å²	9	56.4 Å²	56.4	9%	0.093	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-60.7	-26.1	-177.8	0	0	0	0	0	114.5	M235 D334	M235-G336 WeakPolarHBondContact CG-O 3.03Å; D334-G336 PolarHBondContact O-N 3.39Å
337	L	92.9	Very high	91.3	Very high	44 Å²	44	54.2 Å²	54.2	23%	0.23	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-99.9	-2.1	174.2	-61.4	-173.6	0	0	0	113.3	M235 Y314 R315 D316 L335	M235-L337 HydrophobicContact CE-CD2 4.08Å; Y314-L337 CarbonylContact O-C 3.41Å; R315-L337 PolarHBondContact NE-O 2.91Å; R315-L337 PolarHBondContact NH2-O 2.78Å; D316-L337 HydrophobicContact CB-CB 4.2Å; D316-L337 HydrophobicContact CB-CD1 4Å; D316-L337 HydrophobicContact CB-CG 4.49Å; L335-L337 PolarHBondContact O-N 3.28Å
338	A	95.4	Very high	91.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.287	C	S	.	.			trans	-66.3	155.4	178.5	0	0	0	0	0	111.2	L238 I242 I312 V313 Y314 L335	L238-A338 VanDerWaalsContact CD2-O 3.26Å; L238-A338 WeakPolarHBondContact CD2-O 3.45Å; I242-A338 HydrophobicContact CD1-CB 3.67Å; I312-A338 HydrophobicContact CG2-CB 4.05Å; V313-A338 CarbonylContact O-C 3.54Å; V313-A338 WeakPolarHBondContact O-CA 3Å; Y314-A338 WeakPolarHBondContact O-CA 3.47Å; Y314-A338 PolarHBondContact O-N 3.37Å; L335-A338 HydrophobicContact CB-CB 4.1Å; L335-A338 HydrophobicContact CD2-CB 4.19Å; L335-A338 VanDerWaalsContact O-CB 3.3Å; L335-A338 WeakPolarHBondContact O-CB 3.46Å; L335-A338 PolarHBondContact O-N 2.61Å
339	V	93.8	Very high	90.8	Very high	30 Å²	30	58.2 Å²	58.2	18%	0.182	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	135.7	176.6	66.3	0	0	0	0	110.8	I312 V313 I347	I312-V339 WeakPolarHBondContact CA-O 3.27Å; V313-V339 HydrophobicContact CB-CG1 4.15Å; V313-V339 HydrophobicContact CG2-CG1 4.47Å; V313-V339 PolarHBondContact N-O 3.48Å; V313-V339 PolarHBondContact O-N 2.69Å; V339-I347 HydrophobicContact CG1-CD1 3.55Å; V339-I347 HydrophobicContact CG1-CG1 4.21Å; V339-I347 HydrophobicContact CG1-CG2 4.25Å
340	Q	92.1	Very high	90.6	Very high	54 Å²	54	62.5 Å²	62.5	25%	0.252	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	125.7	172.1	-168.6	165.3	29.7	0	0	109.9	L310 G311 I312 K342	L310-Q340 PolarHBondContact O-NE2 3.28Å; G311-Q340 CarbonylContact O-C 3.56Å; G311-Q340 WeakPolarHBondContact O-CA 3.47Å; I312-Q340 HydrophobicContact CG1-CB 4.41Å; I312-Q340 HydrophobicContact CG1-CG 4.31Å; Q340-K342 PolarHBondContact O-N 3.02Å
341	M	89.5	Confident	90.3	Very high	70 Å²	70	63 Å²	63	35%	0.345	33%	0.332	S	S	.	.			trans	-65.5	127.7	172.3	-53.4	-152.8	-38.8	0	0	108.9	G311 V313 I347 Y370	G311-M341 PolarHBondContact O-N 3.03Å; V313-M341 HydrophobicContact CG2-CG 3.89Å; V313-M341 HydrophobicContact CG2-SD 4Å; M341-I347 HydrophobicContact CG-CD1 4.04Å; M341-I347 HydrophobicContact SD-CD1 4.43Å; M341-Y370 HydrophobicContact CE-CD2 4.35Å; M341-Y370 HydrophobicContact CE-CE1 4.34Å; M341-Y370 HydrophobicContact CE-CE2 3.33Å; M341-Y370 WeakPolarHBondContact CE-OH 3.43Å; M341-Y370 HydrophobicContact CG-CE1 4.04Å; M341-Y370 WeakPolarHBondContact CG-OH 3.18Å; M341-Y370 HydrophobicContact SD-CD2 4.4Å; M341-Y370 HydrophobicContact SD-CE1 3.87Å; M341-Y370 HydrophobicContact SD-CE2 3.73Å; M341-Y370 PolarHBondContact SD-OH 3.03Å; M341-Y370 VanDerWaalsContact SD-OH 3.41Å
342	K	82.1	Confident	90.1	Very high	143 Å²	143	61.4 Å²	61.4	62%	0.622	33%	0.332	S	S	*	.			trans	-117.3	91	-178.5	-66.3	-171	-178.9	-172.2	0	109.6	Q340 D344 K345	Q340-K342 PolarHBondContact O-N 3.02Å; K342-D344 PolarHBondContact O-N 3.25Å; K342-K345 PolarHBondContact O-N 2.61Å
343	G	76.8	Confident	89.9	Confident	72 Å²	72	63.3 Å²	63.3	74%	0.742	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	-134.9	-177.1	0	0	0	0	0	111.4	K345	G343-K345 VanDerWaalsContact C-N 3.28Å; G343-K345 PolarHBondContact O-N 2.97Å
344	D	76.3	Confident	89.8	Confident	169 Å²	169	65.8 Å²	65.8	90%	0.904	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	9.5	-175.9	-57.9	-34.2	0	0	0	114.7	K342 P346	K342-D344 PolarHBondContact O-N 3.25Å; D344-P346 WeakPolarHBondContact O-CD 3.29Å
345	K	83.4	Confident	90	Very high	161 Å²	161	63 Å²	63	70%	0.7	34%	0.343	S	S	*	.			trans	-72	115.8	-179.4	-72.8	-172.4	-179.9	-178.8	0	110.4	K342 G343	K342-K345 PolarHBondContact O-N 2.61Å; G343-K345 VanDerWaalsContact C-N 3.28Å; G343-K345 PolarHBondContact O-N 2.97Å
346	P	84.9	Confident	90.2	Very high	90 Å²	90	63.7 Å²	63.7	58%	0.584	35%	0.346	S	S	*	.			trans	-71	139.4	-178.4	28.5	-33.9	0	0	0	111.1	D344 T348	D344-P346 WeakPolarHBondContact O-CD 3.29Å; P346-T348 HydrophobicContact CB-CG2 4.36Å
347	I	91.6	Very high	90.5	Very high	20 Å²	20	63.7 Å²	63.7	10%	0.103	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-88.8	117	170.4	-53.9	162.4	0	0	0	107.6	V313 V339 M341 S367 Y368	V313-I347 HydrophobicContact CG2-CD1 3.75Å; V339-I347 HydrophobicContact CG1-CD1 3.55Å; V339-I347 HydrophobicContact CG1-CG1 4.21Å; V339-I347 HydrophobicContact CG1-CG2 4.25Å; M341-I347 HydrophobicContact CG-CD1 4.04Å; M341-I347 HydrophobicContact SD-CD1 4.43Å; I347-S367 CarbonylContact O-C 3.53Å; I347-S367 VanDerWaalsContact O-CA 3.25Å; I347-S367 WeakPolarHBondContact O-CA 3.31Å; I347-Y368 HydrophobicContact CB-CD2 4.49Å; I347-Y368 HydrophobicContact CB-CE2 4.18Å; I347-Y368 HydrophobicContact CG2-CD2 4.33Å; I347-Y368 HydrophobicContact CG2-CE1 4.09Å; I347-Y368 HydrophobicContact CG2-CE2 3.57Å; I347-Y368 VanDerWaalsContact CG2-CZ 3.42Å; I347-Y368 WeakPolarHBondContact CG2-OH 3.38Å; I347-Y368 WeakPolarHBondContact O-CD1 3.41Å; I347-Y368 PolarHBondContact O-N 3.35Å
348	T	91.3	Very high	90.8	Very high	77 Å²	77	61.6 Å²	61.6	47%	0.472	33%	0.333	S	S	.	.			trans	-125.4	-1.9	-178.7	56.9	0	0	0	0	113.2	P346 R350	P346-T348 HydrophobicContact CB-CG2 4.36Å; T348-R350 PolarHBondContact O-N 2.93Å
349	Q	90.8	Very high	90.9	Very high	123 Å²	123	62 Å²	62	58%	0.575	34%	0.335	S	S	*	.			trans	-69.8	130	-177	-175.5	-175.7	17.7	0	0	110.4	A351 Y368	Q349-A351 PolarHBondContact O-N 2.89Å; Q349-Y368 WeakPolarHBondContact O-CE1 3.45Å; Q349-Y368 PolarHBondContact O-OH 3.25Å
350	R	93.1	Very high	91	Very high	122 Å²	122	61 Å²	61	46%	0.46	33%	0.328	S	S	.	.			trans	-70.4	110.4	169.1	-173.5	176.7	179.9	-177.7	1.6	110	T348 M357 I361	T348-R350 PolarHBondContact O-N 2.93Å; R350-M357 HydrophobicContact CG-SD 4.14Å; R350-I361 HydrophobicContact CG-CG2 4.18Å
351	A	92.4	Very high	91.2	Very high	10 Å²	10	58.9 Å²	58.9	8%	0.083	32%	0.319	C	S	.	.			trans	-143.1	145.9	178.2	0	0	0	0	0	109.7	Q349	Q349-A351 PolarHBondContact O-N 2.89Å
352	G	94.1	Very high	91.5	Very high	21 Å²	21	56 Å²	56	22%	0.216	31%	0.305	C	S	.	.	S	Bend	trans	124.2	175.7	-179.8	0	0	0	0	0	113.1	R315	R315-G352 VanDerWaalsContact O-CA 3.31Å; R315-G352 WeakPolarHBondContact O-CA 3.37Å
353	T	95	Very high	92	Very high	40 Å²	40	53.1 Å²	53.1	25%	0.245	30%	0.295	C	S	.	.			trans	-91	134.2	-176.3	-59.2	0	0	0	0	111.5	D316 K318 G355 Y356 M357	D316-T353 PolarHBondContact OD1-N 2.95Å; D316-T353 PolarHBondContact OD1-OG1 3.48Å; K318-T353 HydrophobicContact CD-CG2 4.15Å; K318-T353 WeakPolarHBondContact CD-OG1 3.14Å; K318-T353 PolarHBondContact NZ-OG1 3.45Å; T353-G355 PolarHBondContact O-N 3.32Å; T353-Y356 HydrophobicContact CG2-CD2 3.73Å; T353-Y356 HydrophobicContact CG2-CE2 3.9Å; T353-Y356 PolarHBondContact O-N 3.25Å; T353-M357 PolarHBondContact O-N 2.98Å; T353-M357 VanDerWaalsContact O-N 3.13Å
354	N	94.3	Very high	92.3	Very high	62 Å²	62	57.4 Å²	57.4	33%	0.332	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	133	176.8	-65.6	-61.6	0	0	0	110.5	M357 L403	N354-M357 HydrophobicContact CB-CE 4.34Å; N354-M357 WeakPolarHBondContact OD1-CE 3.3Å; N354-L403 HydrophobicContact CB-CD2 4.2Å
355	G	95.3	Very high	92.6	Very high	6 Å²	6	58.4 Å²	58.4	6%	0.062	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.9	-18.4	-173.1	0	0	0	0	0	114.1	T353 C379	T353-G355 PolarHBondContact O-N 3.32Å; G355-C379 PolarHBondContact O-SG 3.07Å
356	Y	98.2	Very high	93	Very high	14 Å²	14	53.2 Å²	53.2	6%	0.055	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-20.9	176.3	-52.8	-90.5	0	0	0	113	K318 P319 E320 T353 A358 F375 C379 E383 T389	K318-Y356 HydrophobicContact CB-CD1 3.92Å; K318-Y356 HydrophobicContact CB-CD2 4.07Å; K318-Y356 HydrophobicContact CB-CE1 3.71Å; K318-Y356 HydrophobicContact CB-CE2 3.82Å; K318-Y356 HydrophobicContact CB-CG 4.08Å; K318-Y356 HydrophobicContact CD-CE2 4.49Å; P319-Y356 WeakPolarHBondContact CD-OH 3.45Å; E320-Y356 PolarHBondContact OE2-OH 3.17Å; T353-Y356 HydrophobicContact CG2-CD2 3.73Å; T353-Y356 HydrophobicContact CG2-CE2 3.9Å; T353-Y356 PolarHBondContact O-N 3.25Å; Y356-A358 PolarHBondContact O-N 3.48Å; Y356-F375 WeakPolarHBondContact O-CD1 3.18Å; Y356-C379 HydrophobicContact CD1-CB 3.75Å; Y356-C379 HydrophobicContact CE1-CB 4.39Å; Y356-E383 WeakPolarHBondContact CE1-OE2 3.39Å; Y356-E383 PolarHBondContact OH-OE2 3.29Å; Y356-T389 HydrophobicContact CE1-CG2 4.32Å
357	M	97.9	Very high	93.4	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.049	27%	0.27	C	S	.	.	S	Bend	trans	-60	127.3	175.2	-75.5	-175.2	-77.1	0	0	111.6	R350 T353 N354 I361 L362	R350-M357 HydrophobicContact CG-SD 4.14Å; T353-M357 PolarHBondContact O-N 2.98Å; T353-M357 VanDerWaalsContact O-N 3.13Å; N354-M357 HydrophobicContact CB-CE 4.34Å; N354-M357 WeakPolarHBondContact OD1-CE 3.3Å; M357-I361 HydrophobicContact CB-CB 4.33Å; M357-I361 HydrophobicContact CB-CG2 4.12Å; M357-I361 HydrophobicContact CG-CG2 3.91Å; M357-I361 HydrophobicContact SD-CG2 3.66Å; M357-L362 HydrophobicContact CB-CD2 3.95Å; M357-L362 HydrophobicContact CB-CG 4.16Å; M357-L362 HydrophobicContact CE-CD2 3.88Å; M357-L362 HydrophobicContact SD-CD2 4.15Å
358	A	97.8	Very high	93.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.269	C	S	.	.			trans	-63.9	156.3	175.2	0	0	0	0	0	112.7	Y356 E360 I361 L362 V372 F375	Y356-A358 PolarHBondContact O-N 3.48Å; A358-E360 VanDerWaalsContact C-N 3.28Å; A358-E360 HydrophobicContact CB-CG 4.45Å; A358-E360 WeakPolarHBondContact CB-OE2 3.43Å; A358-E360 PolarHBondContact O-N 2.88Å; A358-I361 WeakPolarHBondContact O-CB 3.39Å; A358-I361 PolarHBondContact O-N 3.14Å; A358-L362 PolarHBondContact O-N 3.5Å; A358-V372 HydrophobicContact CB-CB 4.01Å; A358-V372 HydrophobicContact CB-CG1 4.04Å; A358-F375 VanDerWaalsContact CA-CD1 3.45Å; A358-F375 HydrophobicContact CB-CB 3.7Å; A358-F375 HydrophobicContact CB-CD1 3.91Å; A358-F375 HydrophobicContact CB-CD2 4.43Å; A358-F375 HydrophobicContact CB-CG 3.76Å
359	P	97.4	Very high	93.7	Very high	7 Å²	7	50.8 Å²	50.8	5%	0.045	26%	0.261	C	S	.	.	H	α-helix	trans	-49.2	-44.8	178.8	-33	40.2	0	0	0	114.2	I361 L362 I363 F375 L408 K433	P359-I361 VanDerWaalsContact C-N 3.28Å; P359-I361 PolarHBondContact O-N 3.16Å; P359-L362 WeakPolarHBondContact O-CB 3.1Å; P359-L362 PolarHBondContact O-N 3.32Å; P359-I363 WeakPolarHBondContact O-CG1 3.16Å; P359-I363 PolarHBondContact O-N 3.43Å; P359-I363 VanDerWaalsContact O-N 3.07Å; P359-F375 HydrophobicContact CG-CE2 4.15Å; P359-F375 HydrophobicContact CG-CZ 4.44Å; P359-L408 HydrophobicContact CB-CD2 3.79Å; P359-K433 HydrophobicContact CG-CB 4.25Å; P359-K433 HydrophobicContact CG-CD 3.94Å
360	E	96.6	Very high	93.9	Very high	11 Å²	11	47 Å²	47	5%	0.051	24%	0.242	C	C	.	.	H	α-helix	trans	-68.1	-21.3	-179.3	63.9	-89	-152.6	0	0	114.3	A358 V366 V372 P435 R438	A358-E360 VanDerWaalsContact C-N 3.28Å; A358-E360 HydrophobicContact CB-CG 4.45Å; A358-E360 WeakPolarHBondContact CB-OE2 3.43Å; A358-E360 PolarHBondContact O-N 2.88Å; E360-V366 HydrophobicContact CB-CG1 3.86Å; E360-V372 HydrophobicContact CG-CG1 3.84Å; E360-V372 WeakPolarHBondContact OE1-CG1 3.46Å; E360-P435 HydrophobicContact CG-CG 4.37Å; E360-R438 IonicContact OE1-CZ 2.58Å; E360-R438 IonicContact OE1-NH1 2.84Å; E360-R438 PolarHBondContact OE1-NH1 3.47Å; E360-R438 IonicContact OE1-NH2 2.63Å; E360-R438 PolarHBondContact OE1-NH2 3.14Å; E360-R438 IonicContact OE2-CZ 3.75Å; E360-R438 IonicContact OE2-NH1 3.61Å; E360-R438 IonicContact OE2-NH2 2.95Å; E360-R438 PolarHBondContact OE2-NH2 3.26Å
361	I	96.5	Very high	94.1	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.046	23%	0.225	C	C	.	.	H	α-helix	trans	-77.4	-32.2	170.3	-65.5	-179	0	0	0	110.6	R350 M357 A358 P359 Y368 V372	R350-I361 HydrophobicContact CG-CG2 4.18Å; M357-I361 HydrophobicContact CB-CB 4.33Å; M357-I361 HydrophobicContact CB-CG2 4.12Å; M357-I361 HydrophobicContact CG-CG2 3.91Å; M357-I361 HydrophobicContact SD-CG2 3.66Å; A358-I361 WeakPolarHBondContact O-CB 3.39Å; A358-I361 PolarHBondContact O-N 3.14Å; P359-I361 VanDerWaalsContact C-N 3.28Å; P359-I361 PolarHBondContact O-N 3.16Å; I361-Y368 HydrophobicContact CD1-CE2 4.33Å; I361-Y368 HydrophobicContact CG1-CD1 3.94Å; I361-Y368 HydrophobicContact CG1-CD2 4.28Å; I361-Y368 HydrophobicContact CG1-CE1 3.89Å; I361-Y368 HydrophobicContact CG1-CE2 4.25Å; I361-Y368 HydrophobicContact CG1-CG 4.14Å; I361-V372 HydrophobicContact CD1-CB 3.68Å; I361-V372 HydrophobicContact CD1-CG1 3.74Å; I361-V372 HydrophobicContact CD1-CG2 4.04Å; I361-V372 HydrophobicContact CG1-CB 4.25Å; I361-V372 HydrophobicContact CG1-CG1 3.73Å
362	L	95.4	Very high	94.3	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-80.5	-22.4	-177	-64.5	174.5	0	0	0	113	M357 A358 P359 K404 T407 L408	M357-L362 HydrophobicContact CB-CD2 3.95Å; M357-L362 HydrophobicContact CB-CG 4.16Å; M357-L362 HydrophobicContact CE-CD2 3.88Å; M357-L362 HydrophobicContact SD-CD2 4.15Å; A358-L362 PolarHBondContact O-N 3.5Å; P359-L362 WeakPolarHBondContact O-CB 3.1Å; P359-L362 PolarHBondContact O-N 3.32Å; L362-K404 HydrophobicContact CB-CG 4.19Å; L362-K404 HydrophobicContact CD1-CB 4.5Å; L362-K404 HydrophobicContact CD1-CG 4.25Å; L362-K404 HydrophobicContact CD2-CG 4.45Å; L362-K404 WeakPolarHBondContact O-CE 3.34Å; L362-T407 HydrophobicContact CD1-CG2 3.69Å; L362-L408 HydrophobicContact CB-CD2 4.29Å
363	I	92.1	Very high	94.5	Very high	83 Å²	83	40.6 Å²	40.6	43%	0.426	21%	0.211	S	C	.	.	S	Bend	trans	-86.5	123.4	175.3	-58.4	163	0	0	0	108.7	P359 V366 L408	P359-I363 WeakPolarHBondContact O-CG1 3.16Å; P359-I363 PolarHBondContact O-N 3.43Å; P359-I363 VanDerWaalsContact O-N 3.07Å; I363-V366 HydrophobicContact CB-CB 4.42Å; I363-V366 HydrophobicContact CB-CG2 3.85Å; I363-V366 HydrophobicContact CG2-CB 4.48Å; I363-V366 HydrophobicContact CG2-CG2 3.46Å; I363-V366 VanDerWaalsContact CG2-CG2 3.46Å; I363-L408 HydrophobicContact CD1-CD2 4.19Å; I363-L408 HydrophobicContact CG1-CD2 3.96Å
364	E	83.4	Confident	94.7	Very high	161 Å²	161	38.9 Å²	38.9	75%	0.752	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	142.7	-178.1	-64.7	-174.2	177.3	0	0	112.2	V366	E364-V366 PolarHBondContact O-N 3.19Å; E364-V366 VanDerWaalsContact O-N 3.09Å
365	K	83.3	Confident	94.9	Very high	190 Å²	190	36 Å²	36	83%	0.826	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	8.4	176.1	-53.9	178.3	-178.8	175.7	0	115.4
366	V	92.4	Very high	95.1	Very high	53 Å²	53	35.9 Å²	35.9	32%	0.321	18%	0.184	S	C	.	.			trans	-79.5	130.5	169.1	175.8	0	0	0	0	108.8	E360 I363 E364	E360-V366 HydrophobicContact CB-CG1 3.86Å; I363-V366 HydrophobicContact CB-CB 4.42Å; I363-V366 HydrophobicContact CB-CG2 3.85Å; I363-V366 HydrophobicContact CG2-CB 4.48Å; I363-V366 HydrophobicContact CG2-CG2 3.46Å; I363-V366 VanDerWaalsContact CG2-CG2 3.46Å; E364-V366 PolarHBondContact O-N 3.19Å; E364-V366 VanDerWaalsContact O-N 3.09Å
367	S	93	Very high	95.1	Very high	72 Å²	72	35.3 Å²	35.3	50%	0.503	18%	0.181	S	C	.	.			trans	-81.2	144.6	172.4	58.4	0	0	0	0	110.6	I347	I347-S367 CarbonylContact O-C 3.53Å; I347-S367 VanDerWaalsContact O-CA 3.25Å; I347-S367 WeakPolarHBondContact O-CA 3.31Å
368	Y	94.7	Very high	95.1	Very high	18 Å²	18	34.8 Å²	34.8	7%	0.071	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-140.1	168.7	179	62.7	-97.7	0	0	0	111.8	R315 I347 Q349 I361 V372	R315-Y368 WeakPolarHBondContact CD-OH 3.48Å; R315-Y368 HydrophobicContact CG-CE2 4.33Å; R315-Y368 PolarHBondContact NH1-OH 2.9Å; I347-Y368 HydrophobicContact CB-CD2 4.49Å; I347-Y368 HydrophobicContact CB-CE2 4.18Å; I347-Y368 HydrophobicContact CG2-CD2 4.33Å; I347-Y368 HydrophobicContact CG2-CE1 4.09Å; I347-Y368 HydrophobicContact CG2-CE2 3.57Å; I347-Y368 VanDerWaalsContact CG2-CZ 3.42Å; I347-Y368 WeakPolarHBondContact CG2-OH 3.38Å; I347-Y368 WeakPolarHBondContact O-CD1 3.41Å; I347-Y368 PolarHBondContact O-N 3.35Å; Q349-Y368 WeakPolarHBondContact O-CE1 3.45Å; Q349-Y368 PolarHBondContact O-OH 3.25Å; I361-Y368 HydrophobicContact CD1-CE2 4.33Å; I361-Y368 HydrophobicContact CG1-CD1 3.94Å; I361-Y368 HydrophobicContact CG1-CD2 4.28Å; I361-Y368 HydrophobicContact CG1-CE1 3.89Å; I361-Y368 HydrophobicContact CG1-CE2 4.25Å; I361-Y368 HydrophobicContact CG1-CG 4.14Å; Y368-V372 HydrophobicContact CD2-CG1 3.62Å; Y368-V372 HydrophobicContact CD2-CG2 4.16Å; Y368-V372 HydrophobicContact CE2-CG1 4.44Å; Y368-V372 HydrophobicContact CE2-CG2 4.44Å; Y368-V372 HydrophobicContact CG-CG1 3.87Å
369	S	94.6	Very high	95.2	Very high	45 Å²	45	34.8 Å²	34.8	32%	0.315	18%	0.179	S	C	.	.			trans	-140.1	-151.4	177	63.7	0	0	0	0	109.8	P371 V372	S369-P371 VanDerWaalsContact C-N 3.35Å; S369-P371 WeakPolarHBondContact O-CD 3.29Å; S369-P371 WeakPolarHBondContact OG-CD 3.41Å; S369-V372 VanDerWaalsContact O-CG2 3.31Å; S369-V372 WeakPolarHBondContact O-CG2 3.48Å; S369-V372 PolarHBondContact O-N 3.38Å
370	Y	94.1	Very high	95.3	Very high	44 Å²	44	34.5 Å²	34.5	17%	0.173	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-28.3	-179.2	-47.6	-59.1	0	0	0	118.2	H308 G311 I312 V313 M341 V372 D373	H308-Y370 HydrophobicContact CB-CD1 4.06Å; H308-Y370 HydrophobicContact CB-CE1 4.43Å; H308-Y370 HydrophobicContact CB-CG 4.13Å; H308-Y370 AromaticContact CD2-CD1 3.31Å; H308-Y370 WeakPolarHBondContact CD2-CD1 3.42Å; H308-Y370 AromaticContact CD2-CG 3.79Å; H308-Y370 AromaticContact CG-CD1 3.7Å; H308-Y370 AromaticContact CG-CG 3.78Å; H308-Y370 AromaticContact NE2-CD1 3.9Å; G311-Y370 WeakPolarHBondContact CA-OH 3.25Å; G311-Y370 PolarHBondContact O-OH 2.88Å; I312-Y370 VanDerWaalsContact C-CE1 3.47Å; I312-Y370 WeakPolarHBondContact O-CE1 3.39Å; V313-Y370 HydrophobicContact CB-CD1 4.17Å; V313-Y370 HydrophobicContact CB-CE1 4.39Å; V313-Y370 HydrophobicContact CG2-CD1 3.52Å; V313-Y370 HydrophobicContact CG2-CE1 3.54Å; V313-Y370 HydrophobicContact CG2-CG 4.43Å; M341-Y370 HydrophobicContact CE-CD2 4.35Å; M341-Y370 HydrophobicContact CE-CE1 4.34Å; M341-Y370 HydrophobicContact CE-CE2 3.33Å; M341-Y370 WeakPolarHBondContact CE-OH 3.43Å; M341-Y370 HydrophobicContact CG-CE1 4.04Å; M341-Y370 WeakPolarHBondContact CG-OH 3.18Å; M341-Y370 HydrophobicContact SD-CD2 4.4Å; M341-Y370 HydrophobicContact SD-CE1 3.87Å; M341-Y370 HydrophobicContact SD-CE2 3.73Å; M341-Y370 PolarHBondContact SD-OH 3.03Å; M341-Y370 VanDerWaalsContact SD-OH 3.41Å; Y370-V372 PolarHBondContact O-N 3.22Å; Y370-D373 WeakPolarHBondContact O-CB 3.46Å; Y370-D373 PolarHBondContact O-N 2.89Å
371	P	96.8	Very high	95.4	Very high	15 Å²	15	34 Å²	34	10%	0.097	18%	0.175	C	C	.	.	H	α-helix	trans	-55.7	-23.5	-179.1	-28.4	36.2	0	0	0	114.6	S369 D373 W374 F375 P435 R438	S369-P371 VanDerWaalsContact C-N 3.35Å; S369-P371 WeakPolarHBondContact O-CD 3.29Å; S369-P371 WeakPolarHBondContact OG-CD 3.41Å; P371-D373 PolarHBondContact O-N 3.47Å; P371-W374 PolarHBondContact O-N 3.44Å; P371-F375 PolarHBondContact O-N 3.17Å; P371-P435 HydrophobicContact CB-CB 3.97Å; P371-P435 HydrophobicContact CG-CB 4.24Å; P371-R438 VanDerWaalsContact O-CD 3.29Å; P371-R438 WeakPolarHBondContact O-CD 3.49Å; P371-R438 PolarHBondContact O-NH1 3.29Å
372	V	98	Very high	95.5	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-31.6	177.4	-56.3	0	0	0	0	112.6	V313 R315 A358 E360 I361 Y368 S369 Y370 F375 A376	V313-V372 HydrophobicContact CG1-CG2 3.65Å; R315-V372 HydrophobicContact CG-CG2 4.43Å; A358-V372 HydrophobicContact CB-CB 4.01Å; A358-V372 HydrophobicContact CB-CG1 4.04Å; E360-V372 HydrophobicContact CG-CG1 3.84Å; E360-V372 WeakPolarHBondContact OE1-CG1 3.46Å; I361-V372 HydrophobicContact CD1-CB 3.68Å; I361-V372 HydrophobicContact CD1-CG1 3.74Å; I361-V372 HydrophobicContact CD1-CG2 4.04Å; I361-V372 HydrophobicContact CG1-CB 4.25Å; I361-V372 HydrophobicContact CG1-CG1 3.73Å; Y368-V372 HydrophobicContact CD2-CG1 3.62Å; Y368-V372 HydrophobicContact CD2-CG2 4.16Å; Y368-V372 HydrophobicContact CE2-CG1 4.44Å; Y368-V372 HydrophobicContact CE2-CG2 4.44Å; Y368-V372 HydrophobicContact CG-CG1 3.87Å; S369-V372 VanDerWaalsContact O-CG2 3.31Å; S369-V372 WeakPolarHBondContact O-CG2 3.48Å; S369-V372 PolarHBondContact O-N 3.38Å; Y370-V372 PolarHBondContact O-N 3.22Å; V372-F375 PolarHBondContact O-N 3.22Å; V372-A376 PolarHBondContact O-N 3.12Å
373	D	98.5	Very high	95.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-71.9	-36.7	179.8	-63.8	-27.5	0	0	0	110.5	M304 H308 Y314 R315 Y370 P371 F375 A376 M377	M304-D373 HydrophobicContact CE-CB 3.64Å; M304-D373 HydrophobicContact SD-CB 4.19Å; H308-D373 IonicContact CD2-OD2 3.71Å; H308-D373 IonicContact CE1-OD2 3.77Å; H308-D373 IonicContact NE2-OD2 2.64Å; H308-D373 PolarHBondContact NE2-OD2 3.08Å; Y314-D373 PolarHBondContact N-OD1 3.27Å; Y314-D373 PolarHBondContact N-OD2 3.02Å; R315-D373 WeakPolarHBondContact CA-OD1 3.39Å; R315-D373 PolarHBondContact N-OD1 2.77Å; Y370-D373 WeakPolarHBondContact O-CB 3.46Å; Y370-D373 PolarHBondContact O-N 2.89Å; P371-D373 PolarHBondContact O-N 3.47Å; D373-F375 VanDerWaalsContact C-N 3.35Å; D373-F375 PolarHBondContact O-N 3.15Å; D373-A376 PolarHBondContact O-N 2.98Å; D373-M377 PolarHBondContact O-N 3.07Å
374	W	98.6	Very high	95.9	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.015	15%	0.152	C	C	.	.	H	α-helix	trans	-66.1	-35.3	174.7	-63.2	123.6	0	0	0	112.5	A301 M304 L305 H308 P371 M377 G378 F430 R438 P448	A301-W374 HydrophobicContact CB-CH2 4.4Å; A301-W374 HydrophobicContact CB-CZ3 4.27Å; M304-W374 HydrophobicContact CB-CH2 4.25Å; M304-W374 HydrophobicContact CE-CD2 3.47Å; M304-W374 VanDerWaalsContact CE-CD2 3.47Å; M304-W374 HydrophobicContact CE-CE3 3.21Å; M304-W374 HydrophobicContact CE-CG 4.2Å; M304-W374 HydrophobicContact CE-CH2 3.74Å; M304-W374 HydrophobicContact CE-CZ2 3.98Å; M304-W374 HydrophobicContact CE-CZ3 3.37Å; L305-W374 HydrophobicContact CD2-CH2 4.15Å; L305-W374 HydrophobicContact CD2-CZ2 3.8Å; L305-W374 HydrophobicContact CG-CH2 3.95Å; L305-W374 HydrophobicContact CG-CZ2 4.08Å; H308-W374 AromaticContact CE1-CE2 3.87Å; H308-W374 AromaticContact CE1-NE1 3.71Å; H308-W374 AromaticContact ND1-CZ2 3.92Å; H308-W374 AromaticContact ND1-NE1 3.83Å; P371-W374 PolarHBondContact O-N 3.44Å; W374-M377 HydrophobicContact CE3-CB 4.49Å; W374-M377 HydrophobicContact CE3-SD 3.66Å; W374-M377 HydrophobicContact CZ3-SD 3.47Å; W374-M377 WeakPolarHBondContact CZ3-SD 3.02Å; W374-M377 WeakPolarHBondContact O-CB 3.44Å; W374-M377 PolarHBondContact O-N 3.09Å; W374-G378 PolarHBondContact O-N 2.82Å; W374-F430 HydrophobicContact CB-CD1 3.87Å; W374-F430 HydrophobicContact CB-CE1 4.12Å; W374-F430 HydrophobicContact CD2-CE1 4.04Å; W374-F430 HydrophobicContact CE3-CD1 4.33Å; W374-F430 AromaticContact CE3-CE1 3.49Å; W374-F430 HydrophobicContact CE3-CE1 3.49Å; W374-F430 VanDerWaalsContact CE3-CE1 3.49Å; W374-F430 AromaticContact CE3-CZ 3.76Å; W374-F430 HydrophobicContact CE3-CZ 3.76Å; W374-F430 HydrophobicContact CG-CE1 4.31Å; W374-F430 HydrophobicContact CZ3-CE1 4.28Å; W374-F430 HydrophobicContact CZ3-CZ 4.19Å; W374-F430 WeakPolarHBondContact O-CB 3.19Å; W374-R438 HydrophobicContact CB-CG 4.47Å; W374-P448 HydrophobicContact CD2-CG 4.12Å; W374-P448 HydrophobicContact CE3-CB 4.45Å; W374-P448 HydrophobicContact CE3-CG 3.99Å; W374-P448 HydrophobicContact CH2-CB 4.35Å; W374-P448 HydrophobicContact CH2-CG 3.71Å; W374-P448 HydrophobicContact CZ2-CG 3.82Å; W374-P448 HydrophobicContact CZ3-CB 4.09Å; W374-P448 HydrophobicContact CZ3-CG 3.77Å
375	F	98.8	Very high	96.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.5	-46.2	172.3	-174.9	-87.7	0	0	0	111.5	Y356 A358 P359 P371 V372 D373 M377 G378 C379 F391 T407 F430 L431	Y356-F375 WeakPolarHBondContact O-CD1 3.18Å; A358-F375 VanDerWaalsContact CA-CD1 3.45Å; A358-F375 HydrophobicContact CB-CB 3.7Å; A358-F375 HydrophobicContact CB-CD1 3.91Å; A358-F375 HydrophobicContact CB-CD2 4.43Å; A358-F375 HydrophobicContact CB-CG 3.76Å; P359-F375 HydrophobicContact CG-CE2 4.15Å; P359-F375 HydrophobicContact CG-CZ 4.44Å; P371-F375 PolarHBondContact O-N 3.17Å; V372-F375 PolarHBondContact O-N 3.22Å; D373-F375 VanDerWaalsContact C-N 3.35Å; D373-F375 PolarHBondContact O-N 3.15Å; F375-M377 VanDerWaalsContact C-N 3.29Å; F375-M377 PolarHBondContact O-N 3.45Å; F375-G378 WeakPolarHBondContact O-CA 3.15Å; F375-G378 PolarHBondContact O-N 2.83Å; F375-G378 VanDerWaalsContact O-N 3.1Å; F375-C379 PolarHBondContact O-N 2.78Å; F375-F391 AromaticContact CZ-CE2 3.97Å; F375-F391 HydrophobicContact CZ-CE2 3.97Å; F375-T407 HydrophobicContact CE1-CG2 4.12Å; F375-T407 HydrophobicContact CZ-CG2 3.83Å; F375-F430 WeakPolarHBondContact CA-O 3.3Å; F375-L431 HydrophobicContact CD1-CD2 4.45Å; F375-L431 HydrophobicContact CD2-CD2 4.06Å; F375-L431 HydrophobicContact CE1-CD2 4.24Å; F375-L431 HydrophobicContact CE2-CB 4.38Å; F375-L431 HydrophobicContact CE2-CD2 3.81Å; F375-L431 HydrophobicContact CG-CD2 4.38Å; F375-L431 HydrophobicContact CZ-CD2 3.92Å
376	A	98.7	Very high	97.3	Very high	5 Å²	5	12.9 Å²	12.9	4%	0.041	8%	0.077	C	C	.	.	H	α-helix	trans	-65	-32.9	177.6	0	0	0	0	0	112.4	M317 V372 D373 C379 S380	M317-A376 HydrophobicContact CB-CB 3.82Å; M317-A376 WeakPolarHBondContact O-CB 3.28Å; V372-A376 PolarHBondContact O-N 3.12Å; D373-A376 PolarHBondContact O-N 2.98Å; A376-C379 PolarHBondContact O-N 2.76Å; A376-S380 WeakPolarHBondContact O-CB 3.23Å; A376-S380 PolarHBondContact O-N 2.79Å; A376-S380 PolarHBondContact O-OG 3.32Å
377	M	98.6	Very high	97.5	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-62.2	-45.4	168.4	-176.1	169	179.9	0	0	111.8	S297 I300 A301 M304 D373 W374 F375 C379 S380 I381 F430 F454	S297-M377 WeakPolarHBondContact O-CE 3.3Å; I300-M377 HydrophobicContact CG2-SD 4.37Å; A301-M377 HydrophobicContact CB-CE 4.02Å; A301-M377 HydrophobicContact CB-SD 4.41Å; M304-M377 HydrophobicContact CE-CB 4.31Å; M304-M377 HydrophobicContact CE-SD 4.32Å; M304-M377 HydrophobicContact SD-CB 4.24Å; M304-M377 HydrophobicContact SD-SD 4.37Å; D373-M377 PolarHBondContact O-N 3.07Å; W374-M377 HydrophobicContact CE3-CB 4.49Å; W374-M377 HydrophobicContact CE3-SD 3.66Å; W374-M377 HydrophobicContact CZ3-SD 3.47Å; W374-M377 WeakPolarHBondContact CZ3-SD 3.02Å; W374-M377 WeakPolarHBondContact O-CB 3.44Å; W374-M377 PolarHBondContact O-N 3.09Å; F375-M377 VanDerWaalsContact C-N 3.29Å; F375-M377 PolarHBondContact O-N 3.45Å; M377-C379 VanDerWaalsContact C-N 3.32Å; M377-C379 PolarHBondContact O-N 3.44Å; M377-S380 PolarHBondContact O-N 2.89Å; M377-S380 VanDerWaalsContact O-N 3.09Å; M377-I381 HydrophobicContact CE-CD1 4.01Å; M377-I381 HydrophobicContact CG-CD1 4.1Å; M377-I381 HydrophobicContact CG-CG1 4.37Å; M377-I381 WeakPolarHBondContact O-CG1 3.27Å; M377-I381 PolarHBondContact O-N 2.63Å; M377-F430 HydrophobicContact CE-CE2 4.08Å; M377-F430 HydrophobicContact CE-CZ 4.33Å; M377-F430 HydrophobicContact CG-CD2 4.37Å; M377-F430 HydrophobicContact CG-CE2 4.02Å; M377-F430 HydrophobicContact CG-CZ 4.48Å; M377-F430 HydrophobicContact SD-CE2 3.94Å; M377-F430 HydrophobicContact SD-CZ 3.91Å; M377-F454 HydrophobicContact CE-CZ 4.06Å
378	G	98.8	Very high	97.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-57.1	-42.8	173.4	0	0	0	0	0	113.1	W374 F375 S380 Y382	W374-G378 PolarHBondContact O-N 2.82Å; F375-G378 WeakPolarHBondContact O-CA 3.15Å; F375-G378 PolarHBondContact O-N 2.83Å; F375-G378 VanDerWaalsContact O-N 3.1Å; G378-S380 VanDerWaalsContact C-N 3.32Å; G378-S380 PolarHBondContact O-N 2.97Å; G378-Y382 WeakPolarHBondContact O-CB 3.22Å; G378-Y382 PolarHBondContact O-N 3.43Å; G378-Y382 VanDerWaalsContact O-N 3.14Å
379	C	98.8	Very high	97.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-61.4	-41.1	173.8	-73.4	0	0	0	0	112.1	G355 Y356 F375 A376 M377 Y382 E383 P390	G355-C379 PolarHBondContact O-SG 3.07Å; Y356-C379 HydrophobicContact CD1-CB 3.75Å; Y356-C379 HydrophobicContact CE1-CB 4.39Å; F375-C379 PolarHBondContact O-N 2.78Å; A376-C379 PolarHBondContact O-N 2.76Å; M377-C379 VanDerWaalsContact C-N 3.32Å; M377-C379 PolarHBondContact O-N 3.44Å; C379-Y382 WeakPolarHBondContact O-CB 3.39Å; C379-Y382 PolarHBondContact O-N 2.57Å; C379-E383 WeakPolarHBondContact O-CB 3.43Å; C379-E383 PolarHBondContact O-N 2.88Å; C379-P390 HydrophobicContact CB-CG 4.32Å
380	S	98.8	Very high	97.9	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.007	3%	0.032	C	C	.	.	H	α-helix	trans	-76.4	-36.8	-176.1	-56.1	0	0	0	0	112.9	M317 A376 M377 G378 Y382 E383 M384	M317-S380 WeakPolarHBondContact CE-OG 3.29Å; A376-S380 WeakPolarHBondContact O-CB 3.23Å; A376-S380 PolarHBondContact O-N 2.79Å; A376-S380 PolarHBondContact O-OG 3.32Å; M377-S380 PolarHBondContact O-N 2.89Å; M377-S380 VanDerWaalsContact O-N 3.09Å; G378-S380 VanDerWaalsContact C-N 3.32Å; G378-S380 PolarHBondContact O-N 2.97Å; S380-Y382 VanDerWaalsContact C-N 3.31Å; S380-E383 PolarHBondContact O-N 2.83Å; S380-M384 WeakPolarHBondContact O-CB 3.13Å; S380-M384 VanDerWaalsContact O-CG 3.31Å; S380-M384 WeakPolarHBondContact O-CG 3.12Å; S380-M384 PolarHBondContact O-N 2.95Å
381	I	98.8	Very high	98	Very high	1 Å²	1	5 Å²	5	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-59.5	-47	170.2	-66.2	174.1	0	0	0	109.6	V293 S297 M377 E383 M384 V385 I426 C427 F430 F453	V293-I381 HydrophobicContact CG1-CG2 4.1Å; S297-I381 WeakPolarHBondContact OG-CG1 3.3Å; M377-I381 HydrophobicContact CE-CD1 4.01Å; M377-I381 HydrophobicContact CG-CD1 4.1Å; M377-I381 HydrophobicContact CG-CG1 4.37Å; M377-I381 WeakPolarHBondContact O-CG1 3.27Å; M377-I381 PolarHBondContact O-N 2.63Å; I381-E383 VanDerWaalsContact C-N 3.28Å; I381-E383 PolarHBondContact O-N 2.91Å; I381-M384 HydrophobicContact CG1-CE 4.11Å; I381-M384 PolarHBondContact O-N 3.1Å; I381-V385 WeakPolarHBondContact O-CG2 3.4Å; I381-V385 PolarHBondContact O-N 3.21Å; I381-I426 HydrophobicContact CD1-CG2 4.4Å; I381-C427 VanDerWaalsContact CG2-SG 3.58Å; I381-F430 HydrophobicContact CD1-CD2 3.98Å; I381-F430 HydrophobicContact CD1-CE2 3.82Å; I381-F453 HydrophobicContact CG2-CZ 4.37Å
382	Y	98.8	Very high	97.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-57.5	-44.8	177.5	-172.2	-73.9	0	0	0	111.2	G378 C379 S380 V385 A386 R388 P390 V412 K413 F414 F419	G378-Y382 WeakPolarHBondContact O-CB 3.22Å; G378-Y382 PolarHBondContact O-N 3.43Å; G378-Y382 VanDerWaalsContact O-N 3.14Å; C379-Y382 WeakPolarHBondContact O-CB 3.39Å; C379-Y382 PolarHBondContact O-N 2.57Å; S380-Y382 VanDerWaalsContact C-N 3.31Å; Y382-V385 PolarHBondContact O-N 2.96Å; Y382-A386 HydrophobicContact CD1-CB 4.13Å; Y382-A386 HydrophobicContact CE1-CB 3.81Å; Y382-A386 WeakPolarHBondContact O-CB 3.24Å; Y382-A386 PolarHBondContact O-N 3.42Å; Y382-R388 VanDerWaalsContact CD1-O 3.26Å; Y382-R388 WeakPolarHBondContact CD1-O 3.33Å; Y382-R388 HydrophobicContact CE1-CG 4.23Å; Y382-R388 PolarHBondContact OH-NH1 2.73Å; Y382-R388 PolarHBondContact OH-NH2 3.3Å; Y382-P390 HydrophobicContact CD1-CB 4.36Å; Y382-P390 HydrophobicContact CD1-CG 3.97Å; Y382-P390 HydrophobicContact CD2-CB 4.27Å; Y382-P390 HydrophobicContact CD2-CG 4.1Å; Y382-P390 HydrophobicContact CE2-CB 4.46Å; Y382-P390 HydrophobicContact CG-CB 4.22Å; Y382-P390 HydrophobicContact CG-CG 3.68Å; Y382-V412 HydrophobicContact CD2-CG2 3.87Å; Y382-V412 HydrophobicContact CE2-CG2 3.63Å; Y382-K413 WeakPolarHBondContact CE2-O 3.48Å; Y382-K413 PolarHBondContact OH-O 2.85Å; Y382-F414 HydrophobicContact CD2-CD1 4.13Å; Y382-F414 AromaticContact CD2-CE1 3.91Å; Y382-F414 HydrophobicContact CD2-CE1 3.91Å; Y382-F414 AromaticContact CE2-CD1 3.87Å; Y382-F414 HydrophobicContact CE2-CD1 3.87Å; Y382-F414 HydrophobicContact CE2-CE1 4.03Å; Y382-F419 HydrophobicContact CD1-CZ 4.19Å; Y382-F419 HydrophobicContact CD2-CE1 4.08Å; Y382-F419 HydrophobicContact CD2-CE2 4.29Å; Y382-F419 AromaticContact CD2-CZ 3.47Å; Y382-F419 HydrophobicContact CD2-CZ 3.47Å; Y382-F419 VanDerWaalsContact CD2-CZ 3.47Å; Y382-F419 HydrophobicContact CE1-CZ 4.28Å; Y382-F419 HydrophobicContact CE2-CE1 4.48Å; Y382-F419 AromaticContact CE2-CE2 3.95Å; Y382-F419 HydrophobicContact CE2-CE2 3.95Å; Y382-F419 AromaticContact CE2-CZ 3.6Å; Y382-F419 HydrophobicContact CE2-CZ 3.6Å; Y382-F419 HydrophobicContact CG-CE1 4.47Å; Y382-F419 AromaticContact CG-CZ 3.78Å; Y382-F419 HydrophobicContact CG-CZ 3.78Å
383	E	98.5	Very high	97.6	Very high	5 Å²	5	11.7 Å²	11.7	2%	0.023	6%	0.058	C	C	.	.	H	α-helix	trans	-69	-38.1	179.3	-173.4	174.2	-165.7	0	0	113.6	I280 Y281 P319 Y356 C379 S380 I381 V385 G387 R388	I280-E383 HydrophobicContact CD1-CG 4.38Å; Y281-E383 VanDerWaalsContact CE2-OE1 3.31Å; Y281-E383 WeakPolarHBondContact CE2-OE1 3.46Å; Y281-E383 PolarHBondContact OH-OE1 3.17Å; P319-E383 HydrophobicContact CG-CG 4.5Å; P319-E383 WeakPolarHBondContact CG-OE2 3.27Å; Y356-E383 WeakPolarHBondContact CE1-OE2 3.39Å; Y356-E383 PolarHBondContact OH-OE2 3.29Å; C379-E383 WeakPolarHBondContact O-CB 3.43Å; C379-E383 PolarHBondContact O-N 2.88Å; S380-E383 PolarHBondContact O-N 2.83Å; I381-E383 VanDerWaalsContact C-N 3.28Å; I381-E383 PolarHBondContact O-N 2.91Å; E383-V385 PolarHBondContact O-N 2.64Å; E383-G387 VanDerWaalsContact O-CA 3.3Å; E383-G387 WeakPolarHBondContact O-CA 3.31Å; E383-G387 PolarHBondContact O-N 2.85Å; E383-R388 VanDerWaalsContact CA-O 3.22Å; E383-R388 WeakPolarHBondContact CA-O 3.47Å
384	M	98.6	Very high	97.2	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.01	7%	0.074	C	C	.	.	H	α-helix	trans	-59.3	-37.6	172.3	-75.7	-171.2	-70.1	0	0	111.5	L276 I280 G287 L288 V293 S297 S380 I381	L276-M384 HydrophobicContact CD1-SD 3.94Å; I280-M384 HydrophobicContact CD1-CB 4.49Å; I280-M384 HydrophobicContact CD1-CG 3.8Å; I280-M384 HydrophobicContact CG1-CG 4.33Å; G287-M384 CarbonylContact C-O 3.58Å; G287-M384 WeakPolarHBondContact CA-O 3.19Å; L288-M384 HydrophobicContact CD1-CB 4.07Å; L288-M384 HydrophobicContact CD1-CG 3.86Å; L288-M384 HydrophobicContact CD1-SD 4.06Å; L288-M384 HydrophobicContact CG-CB 4.49Å; L288-M384 PolarHBondContact N-O 2.83Å; V293-M384 HydrophobicContact CG1-CB 4.12Å; V293-M384 HydrophobicContact CG1-CE 4.17Å; V293-M384 HydrophobicContact CG2-CB 4.04Å; S297-M384 VanDerWaalsContact OG-CE 3.29Å; S297-M384 WeakPolarHBondContact OG-CE 3.38Å; S380-M384 WeakPolarHBondContact O-CB 3.13Å; S380-M384 VanDerWaalsContact O-CG 3.31Å; S380-M384 WeakPolarHBondContact O-CG 3.12Å; S380-M384 PolarHBondContact O-N 2.95Å; I381-M384 HydrophobicContact CG1-CE 4.11Å; I381-M384 PolarHBondContact O-N 3.1Å
385	V	98.3	Very high	96.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-78.9	-45.8	178.9	178.2	0	0	0	0	112.4	M290 V293 I381 Y382 E383 N418 F419	M290-V385 HydrophobicContact CE-CG1 4.32Å; M290-V385 HydrophobicContact CE-CG2 3.86Å; V293-V385 HydrophobicContact CG1-CG2 3.86Å; V293-V385 HydrophobicContact CG2-CG2 4.05Å; I381-V385 WeakPolarHBondContact O-CG2 3.4Å; I381-V385 PolarHBondContact O-N 3.21Å; Y382-V385 PolarHBondContact O-N 2.96Å; E383-V385 PolarHBondContact O-N 2.64Å; V385-N418 HydrophobicContact CG1-CB 3.92Å; V385-F419 HydrophobicContact CB-CD1 4.2Å; V385-F419 HydrophobicContact CB-CE1 3.75Å; V385-F419 HydrophobicContact CB-CZ 3.93Å; V385-F419 HydrophobicContact CG1-CD1 3.69Å; V385-F419 HydrophobicContact CG1-CD2 4.04Å; V385-F419 HydrophobicContact CG1-CE1 3.72Å; V385-F419 HydrophobicContact CG1-CE2 4.08Å; V385-F419 HydrophobicContact CG1-CG 3.83Å; V385-F419 HydrophobicContact CG1-CZ 3.9Å; V385-F419 HydrophobicContact CG2-CD1 4.42Å; V385-F419 HydrophobicContact CG2-CE1 4.13Å
386	A	97.4	Very high	96.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-102.4	-11.8	-166.9	0	0	0	0	0	114.8	Y382 R388 H416 F419	Y382-A386 HydrophobicContact CD1-CB 4.13Å; Y382-A386 HydrophobicContact CE1-CB 3.81Å; Y382-A386 WeakPolarHBondContact O-CB 3.24Å; Y382-A386 PolarHBondContact O-N 3.42Å; A386-R388 VanDerWaalsContact C-N 3.26Å; A386-R388 HydrophobicContact CB-CG 4.09Å; A386-R388 PolarHBondContact O-N 3.35Å; A386-H416 HydrophobicContact CB-CB 3.9Å; A386-F419 HydrophobicContact CB-CE2 3.86Å; A386-F419 HydrophobicContact CB-CZ 4.07Å
387	G	96.6	Very high	96.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	64.8	30.2	-175.2	0	0	0	0	0	114	Y281 R286 E383	Y281-G387 VanDerWaalsContact CE1-O 3.24Å; Y281-G387 WeakPolarHBondContact CE1-O 3.41Å; R286-G387 WeakPolarHBondContact CD-O 3.2Å; E383-G387 VanDerWaalsContact O-CA 3.3Å; E383-G387 WeakPolarHBondContact O-CA 3.31Å; E383-G387 PolarHBondContact O-N 2.85Å
388	R	95.8	Very high	95.9	Very high	30 Å²	30	37.7 Å²	37.7	11%	0.113	17%	0.171	C	C	.	.	S	Bend	trans	-163.4	160.2	175.4	63.4	178.6	-174.4	79.7	-9.7	109	Y382 E383 A386 D393	Y382-R388 VanDerWaalsContact CD1-O 3.26Å; Y382-R388 WeakPolarHBondContact CD1-O 3.33Å; Y382-R388 HydrophobicContact CE1-CG 4.23Å; Y382-R388 PolarHBondContact OH-NH1 2.73Å; Y382-R388 PolarHBondContact OH-NH2 3.3Å; E383-R388 VanDerWaalsContact CA-O 3.22Å; E383-R388 WeakPolarHBondContact CA-O 3.47Å; A386-R388 VanDerWaalsContact C-N 3.26Å; A386-R388 HydrophobicContact CB-CG 4.09Å; A386-R388 PolarHBondContact O-N 3.35Å; R388-D393 WeakPolarHBondContact CD-OD1 3.3Å; R388-D393 IonicContact NE-OD1 2.86Å
389	T	96.6	Very high	95.8	Very high	15 Å²	15	40.2 Å²	40.2	9%	0.092	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-80.2	166.7	176.8	66	0	0	0	0	111.6	Y356 F391 K392	Y356-T389 HydrophobicContact CE1-CG2 4.32Å; T389-F391 VanDerWaalsContact C-N 3.32Å; T389-F391 PolarHBondContact O-N 2.81Å; T389-K392 PolarHBondContact N-O 3.38Å; T389-K392 PolarHBondContact OG1-O 3.37Å
390	P	97.3	Very high	95.5	Very high	11 Å²	11	47.4 Å²	47.4	7%	0.071	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-35.5	-176	-25.4	32.9	0	0	0	114.9	C379 Y382 V412 L431	C379-P390 HydrophobicContact CB-CG 4.32Å; Y382-P390 HydrophobicContact CD1-CB 4.36Å; Y382-P390 HydrophobicContact CD1-CG 3.97Å; Y382-P390 HydrophobicContact CD2-CB 4.27Å; Y382-P390 HydrophobicContact CD2-CG 4.1Å; Y382-P390 HydrophobicContact CE2-CB 4.46Å; Y382-P390 HydrophobicContact CG-CB 4.22Å; Y382-P390 HydrophobicContact CG-CG 3.68Å; P390-V412 HydrophobicContact CB-CG2 4.1Å; P390-L431 HydrophobicContact CB-CD1 4.17Å; P390-L431 HydrophobicContact CG-CD1 3.84Å; P390-L431 HydrophobicContact CG-CD2 4.41Å
391	F	96.8	Very high	95.3	Very high	11 Å²	11	51.6 Å²	51.6	5%	0.048	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	3.6	-169.5	-52.3	-66.1	0	0	0	114.2	F375 T389 L403 R406 T407 D410	F375-F391 AromaticContact CZ-CE2 3.97Å; F375-F391 HydrophobicContact CZ-CE2 3.97Å; T389-F391 VanDerWaalsContact C-N 3.32Å; T389-F391 PolarHBondContact O-N 2.81Å; F391-L403 HydrophobicContact CB-CD1 3.92Å; F391-R406 HydrophobicContact CB-CB 4.11Å; F391-R406 WeakPolarHBondContact O-CD 3.07Å; F391-R406 PolarHBondContact O-NH1 3.14Å; F391-T407 HydrophobicContact CD2-CG2 4.18Å; F391-T407 HydrophobicContact CE2-CG2 4.21Å; F391-D410 HydrophobicContact CD1-CB 4.26Å; F391-D410 HydrophobicContact CE1-CB 4.44Å; F391-D410 WeakPolarHBondContact CE1-O 3.47Å
392	K	94.7	Very high	95.2	Very high	77 Å²	77	55.7 Å²	55.7	34%	0.335	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-144.6	126.3	179.4	-175.8	-172.8	173.4	-173.5	0	110.2	T389 E396 V398 L403	T389-K392 PolarHBondContact N-O 3.38Å; T389-K392 PolarHBondContact OG1-O 3.37Å; K392-E396 WeakPolarHBondContact CE-O 3.46Å; K392-E396 HydrophobicContact CG-CB 4.22Å; K392-V398 HydrophobicContact CG-CG2 4.33Å; K392-L403 HydrophobicContact CB-CD1 3.94Å; K392-L403 HydrophobicContact CD-CD2 4.4Å
393	D	92.5	Very high	95.1	Very high	82 Å²	82	56.2 Å²	56.2	44%	0.439	27%	0.265	S	S	.	.			trans	-75.9	160	177.6	-153.3	-10.1	0	0	0	112	R388 K395 E396	R388-D393 WeakPolarHBondContact CD-OD1 3.3Å; R388-D393 IonicContact NE-OD1 2.86Å; D393-K395 PolarHBondContact O-N 3.44Å; D393-E396 HydrophobicContact CB-CB 4.06Å; D393-E396 PolarHBondContact N-OE2 3.22Å; D393-E396 VanDerWaalsContact O-CB 3.23Å; D393-E396 WeakPolarHBondContact O-CB 3.41Å; D393-E396 PolarHBondContact O-N 2.97Å
394	Y	89.9	Confident	95	Very high	87 Å²	87	57.8 Å²	57.8	34%	0.341	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	126.5	179.9	-178.8	-113.3	0	0	0	110.7	Y281 E396	Y281-Y394 AromaticContact CD1-CD2 3.9Å; Y281-Y394 HydrophobicContact CD1-CD2 3.9Å; Y281-Y394 AromaticContact CD1-CE2 3.36Å; Y281-Y394 HydrophobicContact CD1-CE2 3.36Å; Y281-Y394 AromaticContact CE1-CD2 3.33Å; Y281-Y394 HydrophobicContact CE1-CD2 3.33Å; Y281-Y394 AromaticContact CE1-CE2 3.28Å; Y281-Y394 HydrophobicContact CE1-CE2 3.28Å; Y281-Y394 HydrophobicContact CE1-CG 4.43Å; Y281-Y394 HydrophobicContact CG-CE2 4.41Å; Y394-E396 PolarHBondContact O-N 2.72Å; Y394-E396 VanDerWaalsContact O-N 3.14Å
395	K	87.7	Confident	94.9	Very high	168 Å²	168	60.8 Å²	60.8	73%	0.73	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	10.8	-174.8	-61.9	175.9	173.6	173.2	0	114.8	D393 K397	D393-K395 PolarHBondContact O-N 3.44Å; K395-K397 PolarHBondContact O-N 3.13Å
396	E	92.8	Very high	94.8	Very high	59 Å²	59	64.2 Å²	64.2	28%	0.276	30%	0.298	S	S	.	.			trans	-64	130.1	172.6	-162.3	-167.1	170.9	0	0	110.1	K392 D393 Y394 V398 R406	K392-E396 WeakPolarHBondContact CE-O 3.46Å; K392-E396 HydrophobicContact CG-CB 4.22Å; D393-E396 HydrophobicContact CB-CB 4.06Å; D393-E396 PolarHBondContact N-OE2 3.22Å; D393-E396 VanDerWaalsContact O-CB 3.23Å; D393-E396 WeakPolarHBondContact O-CB 3.41Å; D393-E396 PolarHBondContact O-N 2.97Å; Y394-E396 PolarHBondContact O-N 2.72Å; Y394-E396 VanDerWaalsContact O-N 3.14Å; E396-V398 HydrophobicContact CB-CG2 4.13Å; E396-V398 HydrophobicContact CG-CG2 3.49Å; E396-V398 VanDerWaalsContact CG-CG2 3.49Å; E396-V398 PolarHBondContact O-N 2.88Å; E396-V398 WeakPolarHBondContact OE1-CG2 3.49Å; E396-V398 WeakPolarHBondContact OE2-CG2 3.49Å; E396-R406 VanDerWaalsContact CD-NH1 3.34Å; E396-R406 IonicContact OE1-CZ 3.3Å; E396-R406 VanDerWaalsContact OE1-CZ 3.3Å; E396-R406 IonicContact OE1-NH1 2.84Å; E396-R406 PolarHBondContact OE1-NH1 2.95Å; E396-R406 IonicContact OE1-NH2 2.81Å; E396-R406 PolarHBondContact OE1-NH2 3.26Å; E396-R406 IonicContact OE2-NH1 2.68Å; E396-R406 PolarHBondContact OE2-NH1 2.58Å
397	K	92.7	Very high	94.8	Very high	211 Å²	211	64.3 Å²	64.3	92%	0.917	30%	0.299	S	S	*	.			trans	-90.2	100	173.2	-68	-176.1	-178.4	178.5	0	108.8	K395	K395-K397 PolarHBondContact O-N 3.13Å
398	V	94.2	Very high	94.8	Very high	31 Å²	31	66.2 Å²	66.2	19%	0.188	31%	0.309	C	S	.	.			trans	-121.2	139.7	179.5	-175.3	0	0	0	0	109.1	K392 E396 D402 L403	K392-V398 HydrophobicContact CG-CG2 4.33Å; E396-V398 HydrophobicContact CB-CG2 4.13Å; E396-V398 HydrophobicContact CG-CG2 3.49Å; E396-V398 VanDerWaalsContact CG-CG2 3.49Å; E396-V398 PolarHBondContact O-N 2.88Å; E396-V398 WeakPolarHBondContact OE1-CG2 3.49Å; E396-V398 WeakPolarHBondContact OE2-CG2 3.49Å; V398-D402 HydrophobicContact CG1-CB 3.59Å; V398-L403 HydrophobicContact CG1-CB 4.09Å
399	S	95.8	Very high	94.8	Very high	54 Å²	54	71.4 Å²	71.4	38%	0.378	33%	0.334	S	S	.	.			trans	-68.3	158.7	175.3	82.9	0	0	0	0	111	E401 D402 L403	S399-E401 PolarHBondContact O-N 3.18Å; S399-E401 PolarHBondContact OG-N 2.86Å; S399-D402 WeakPolarHBondContact CB-OD2 3.22Å; S399-D402 PolarHBondContact O-N 2.97Å; S399-D402 WeakPolarHBondContact OG-CB 3.4Å; S399-D402 PolarHBondContact OG-N 3.1Å; S399-D402 PolarHBondContact OG-OD2 3.21Å; S399-L403 WeakPolarHBondContact O-CB 3.49Å; S399-L403 PolarHBondContact O-N 3.35Å
400	K	92.9	Very high	94.8	Very high	151 Å²	151	74 Å²	74	66%	0.657	35%	0.348	S	S	*	.	H	α-helix	trans	-62.6	-32.4	177	-67.9	-179.7	-178.5	175	0	112.1	K404	K400-K404 WeakPolarHBondContact O-CB 3.3Å; K400-K404 PolarHBondContact O-N 3.06Å; K400-K404 VanDerWaalsContact O-N 3.13Å
401	E	94.4	Very high	94.7	Very high	88 Å²	88	81.6 Å²	81.6	41%	0.411	38%	0.382	S	S	.	.	H	α-helix	trans	-76.4	-42.7	179.9	-167.9	58.3	-148.6	0	0	111.1	S399 L403 K404 Q405	S399-E401 PolarHBondContact O-N 3.18Å; S399-E401 PolarHBondContact OG-N 2.86Å; E401-L403 VanDerWaalsContact C-N 3.34Å; E401-L403 PolarHBondContact O-N 3.24Å; E401-K404 WeakPolarHBondContact O-CB 3.5Å; E401-K404 PolarHBondContact O-N 3.28Å; E401-K404 VanDerWaalsContact O-N 3.15Å; E401-K404 IonicContact OE1-NZ 2.99Å; E401-K404 PolarHBondContact OE1-NZ 3.32Å; E401-K404 IonicContact OE2-NZ 3.47Å; E401-K404 PolarHBondContact OE2-NZ 2.96Å; E401-Q405 WeakPolarHBondContact O-CG 3.16Å; E401-Q405 PolarHBondContact O-N 3.45Å; E401-Q405 PolarHBondContact OE1-NE2 3.39Å
402	D	96.4	Very high	94.6	Very high	87 Å²	87	82.6 Å²	82.6	47%	0.465	39%	0.389	S	S	.	.	H	α-helix	trans	-61.4	-44.6	176.2	-60.6	-38	0	0	0	111	V398 S399 K404 Q405 R406	V398-D402 HydrophobicContact CG1-CB 3.59Å; S399-D402 WeakPolarHBondContact CB-OD2 3.22Å; S399-D402 PolarHBondContact O-N 2.97Å; S399-D402 WeakPolarHBondContact OG-CB 3.4Å; S399-D402 PolarHBondContact OG-N 3.1Å; S399-D402 PolarHBondContact OG-OD2 3.21Å; D402-K404 VanDerWaalsContact C-N 3.29Å; D402-K404 PolarHBondContact O-N 3.36Å; D402-Q405 PolarHBondContact O-N 2.93Å; D402-Q405 VanDerWaalsContact O-N 3.14Å; D402-R406 WeakPolarHBondContact O-CG 3.34Å; D402-R406 PolarHBondContact O-N 3.31Å
403	L	96.6	Very high	94.7	Very high	12 Å²	12	85.2 Å²	85.2	6%	0.063	40%	0.4	C	S	.	.	H	α-helix	trans	-62.3	-38.3	176.8	-178.9	57.1	0	0	0	111.7	N354 F391 K392 V398 S399 E401 T407	N354-L403 HydrophobicContact CB-CD2 4.2Å; F391-L403 HydrophobicContact CB-CD1 3.92Å; K392-L403 HydrophobicContact CB-CD1 3.94Å; K392-L403 HydrophobicContact CD-CD2 4.4Å; V398-L403 HydrophobicContact CG1-CB 4.09Å; S399-L403 WeakPolarHBondContact O-CB 3.49Å; S399-L403 PolarHBondContact O-N 3.35Å; E401-L403 VanDerWaalsContact C-N 3.34Å; E401-L403 PolarHBondContact O-N 3.24Å; L403-T407 WeakPolarHBondContact O-CB 3.23Å; L403-T407 PolarHBondContact O-N 2.86Å; L403-T407 PolarHBondContact O-OG1 3.3Å
404	K	96.1	Very high	94.9	Very high	38 Å²	38	82.9 Å²	82.9	17%	0.165	39%	0.387	C	S	.	.	H	α-helix	trans	-60.9	-48.6	172.6	166.9	-177.9	164.6	-146.7	0	110.6	L362 K400 E401 D402 R406 T407 L408	L362-K404 HydrophobicContact CB-CG 4.19Å; L362-K404 HydrophobicContact CD1-CB 4.5Å; L362-K404 HydrophobicContact CD1-CG 4.25Å; L362-K404 HydrophobicContact CD2-CG 4.45Å; L362-K404 WeakPolarHBondContact O-CE 3.34Å; K400-K404 WeakPolarHBondContact O-CB 3.3Å; K400-K404 PolarHBondContact O-N 3.06Å; K400-K404 VanDerWaalsContact O-N 3.13Å; E401-K404 WeakPolarHBondContact O-CB 3.5Å; E401-K404 PolarHBondContact O-N 3.28Å; E401-K404 VanDerWaalsContact O-N 3.15Å; E401-K404 IonicContact OE1-NZ 2.99Å; E401-K404 PolarHBondContact OE1-NZ 3.32Å; E401-K404 IonicContact OE2-NZ 3.47Å; E401-K404 PolarHBondContact OE2-NZ 2.96Å; D402-K404 VanDerWaalsContact C-N 3.29Å; D402-K404 PolarHBondContact O-N 3.36Å; K404-R406 PolarHBondContact O-N 3.28Å; K404-T407 PolarHBondContact O-N 2.85Å; K404-T407 VanDerWaalsContact O-N 3.17Å; K404-L408 HydrophobicContact CG-CD1 3.9Å; K404-L408 HydrophobicContact CG-CG 4.43Å; K404-L408 VanDerWaalsContact O-CG 3.28Å; K404-L408 WeakPolarHBondContact O-CG 3.41Å; K404-L408 PolarHBondContact O-N 2.94Å
405	Q	97.3	Very high	94.9	Very high	64 Å²	64	85.3 Å²	85.3	30%	0.299	40%	0.401	S	S	.	.	H	α-helix	trans	-60.9	-44.9	179.3	-65.3	-53.4	-36.7	0	0	111.9	E401 D402 T407 L408 Q409	E401-Q405 WeakPolarHBondContact O-CG 3.16Å; E401-Q405 PolarHBondContact O-N 3.45Å; E401-Q405 PolarHBondContact OE1-NE2 3.39Å; D402-Q405 PolarHBondContact O-N 2.93Å; D402-Q405 VanDerWaalsContact O-N 3.14Å; Q405-T407 VanDerWaalsContact C-N 3.33Å; Q405-T407 PolarHBondContact O-N 2.84Å; Q405-L408 PolarHBondContact O-N 3.19Å; Q405-L408 VanDerWaalsContact O-N 3.14Å; Q405-Q409 WeakPolarHBondContact O-CB 3.45Å; Q405-Q409 WeakPolarHBondContact O-CG 3.33Å; Q405-Q409 PolarHBondContact O-N 2.83Å
406	R	97.4	Very high	95.2	Very high	72 Å²	72	80 Å²	80	27%	0.272	38%	0.378	S	S	.	.	H	α-helix	trans	-58.3	-44.6	173.4	-65.2	-177.9	-171	-178.3	0.8	111.8	F391 E396 D402 K404 L408 Q409 D410	F391-R406 HydrophobicContact CB-CB 4.11Å; F391-R406 WeakPolarHBondContact O-CD 3.07Å; F391-R406 PolarHBondContact O-NH1 3.14Å; E396-R406 VanDerWaalsContact CD-NH1 3.34Å; E396-R406 IonicContact OE1-CZ 3.3Å; E396-R406 VanDerWaalsContact OE1-CZ 3.3Å; E396-R406 IonicContact OE1-NH1 2.84Å; E396-R406 PolarHBondContact OE1-NH1 2.95Å; E396-R406 IonicContact OE1-NH2 2.81Å; E396-R406 PolarHBondContact OE1-NH2 3.26Å; E396-R406 IonicContact OE2-NH1 2.68Å; E396-R406 PolarHBondContact OE2-NH1 2.58Å; D402-R406 WeakPolarHBondContact O-CG 3.34Å; D402-R406 PolarHBondContact O-N 3.31Å; K404-R406 PolarHBondContact O-N 3.28Å; R406-L408 VanDerWaalsContact C-N 3.26Å; R406-L408 PolarHBondContact O-N 3.44Å; R406-Q409 PolarHBondContact O-N 2.99Å; R406-D410 WeakPolarHBondContact CB-OD2 3.42Å; R406-D410 WeakPolarHBondContact CG-OD2 3.38Å; R406-D410 VanDerWaalsContact O-CB 3.27Å; R406-D410 WeakPolarHBondContact O-CB 3.48Å; R406-D410 PolarHBondContact O-N 3.47Å
407	T	97.1	Very high	95.2	Very high	2 Å²	2	84.6 Å²	84.6	1%	0.012	41%	0.405	C	S	.	.	H	α-helix	trans	-63.2	-33.2	178.4	-54.5	0	0	0	0	112	L362 F375 F391 L403 K404 Q405 K433	L362-T407 HydrophobicContact CD1-CG2 3.69Å; F375-T407 HydrophobicContact CE1-CG2 4.12Å; F375-T407 HydrophobicContact CZ-CG2 3.83Å; F391-T407 HydrophobicContact CD2-CG2 4.18Å; F391-T407 HydrophobicContact CE2-CG2 4.21Å; L403-T407 WeakPolarHBondContact O-CB 3.23Å; L403-T407 PolarHBondContact O-N 2.86Å; L403-T407 PolarHBondContact O-OG1 3.3Å; K404-T407 PolarHBondContact O-N 2.85Å; K404-T407 VanDerWaalsContact O-N 3.17Å; Q405-T407 VanDerWaalsContact C-N 3.33Å; Q405-T407 PolarHBondContact O-N 2.84Å; T407-K433 WeakPolarHBondContact O-CE 3.35Å; T407-K433 PolarHBondContact O-NZ 3.15Å
408	L	96.6	Very high	95.3	Very high	41 Å²	41	78.6 Å²	78.6	22%	0.215	38%	0.383	C	S	.	.	H	α-helix	trans	-79.7	-38.6	178.7	-67.6	173.9	0	0	0	113.2	P359 L362 I363 K404 Q405 R406	P359-L408 HydrophobicContact CB-CD2 3.79Å; L362-L408 HydrophobicContact CB-CD2 4.29Å; I363-L408 HydrophobicContact CD1-CD2 4.19Å; I363-L408 HydrophobicContact CG1-CD2 3.96Å; K404-L408 HydrophobicContact CG-CD1 3.9Å; K404-L408 HydrophobicContact CG-CG 4.43Å; K404-L408 VanDerWaalsContact O-CG 3.28Å; K404-L408 WeakPolarHBondContact O-CG 3.41Å; K404-L408 PolarHBondContact O-N 2.94Å; Q405-L408 PolarHBondContact O-N 3.19Å; Q405-L408 VanDerWaalsContact O-N 3.14Å; R406-L408 VanDerWaalsContact C-N 3.26Å; R406-L408 PolarHBondContact O-N 3.44Å
409	Q	95.8	Very high	95.5	Very high	139 Å²	139	77.6 Å²	77.6	65%	0.65	38%	0.376	S	S	*	.	H	α-helix	trans	-111.3	-35.8	-164.9	-57.6	-177.6	18.5	0	0	114	Q405 R406	Q405-Q409 WeakPolarHBondContact O-CB 3.45Å; Q405-Q409 WeakPolarHBondContact O-CG 3.33Å; Q405-Q409 PolarHBondContact O-N 2.83Å; R406-Q409 PolarHBondContact O-N 2.99Å
410	D	96.3	Very high	95.6	Very high	70 Å²	70	77.6 Å²	77.6	37%	0.374	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-77.8	141.3	-171.9	-64.5	-2.9	0	0	0	111.4	F391 R406 K433	F391-D410 HydrophobicContact CD1-CB 4.26Å; F391-D410 HydrophobicContact CE1-CB 4.44Å; F391-D410 WeakPolarHBondContact CE1-O 3.47Å; R406-D410 WeakPolarHBondContact CB-OD2 3.42Å; R406-D410 WeakPolarHBondContact CG-OD2 3.38Å; R406-D410 VanDerWaalsContact O-CB 3.27Å; R406-D410 WeakPolarHBondContact O-CB 3.48Å; R406-D410 PolarHBondContact O-N 3.47Å; D410-K433 WeakPolarHBondContact O-CE 3.29Å; D410-K433 PolarHBondContact O-NZ 3.4Å
411	E	94.4	Very high	95.8	Very high	170 Å²	170	76 Å²	76	79%	0.794	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-74.4	143.3	165.1	-64.8	-171.9	166.5	0	0	110.9	K413	E411-K413 PolarHBondContact O-N 3.43Å
412	V	95.7	Very high	96	Very high	31 Å²	31	74.5 Å²	74.5	19%	0.188	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-67.7	133	176.1	57.7	0	0	0	0	110.6	Y382 P390 F414 R428 L431	Y382-V412 HydrophobicContact CD2-CG2 3.87Å; Y382-V412 HydrophobicContact CE2-CG2 3.63Å; P390-V412 HydrophobicContact CB-CG2 4.1Å; V412-F414 HydrophobicContact CB-CZ 4.39Å; V412-F414 HydrophobicContact CG1-CE2 3.74Å; V412-F414 HydrophobicContact CG1-CZ 3.69Å; V412-F414 HydrophobicContact CG2-CE1 4.01Å; V412-F414 HydrophobicContact CG2-CE2 4.17Å; V412-F414 HydrophobicContact CG2-CZ 3.77Å; V412-R428 HydrophobicContact CG1-CG 4.31Å; V412-L431 HydrophobicContact CB-CD1 4.1Å; V412-L431 HydrophobicContact CG1-CD1 4.32Å; V412-L431 HydrophobicContact CG2-CD1 3.83Å
413	K	95.8	Very high	96.1	Very high	132 Å²	132	70.3 Å²	70.3	57%	0.574	34%	0.34	S	S	*	.			trans	-110.8	132	179	-59.6	-179.5	-176.1	174.6	0	110.4	Y382 E411 Q415	Y382-K413 WeakPolarHBondContact CE2-O 3.48Å; Y382-K413 PolarHBondContact OH-O 2.85Å; E411-K413 PolarHBondContact O-N 3.43Å; K413-Q415 HydrophobicContact CB-CG 4.37Å
414	F	96.7	Very high	96.2	Very high	34 Å²	34	71.8 Å²	71.8	15%	0.149	35%	0.345	C	S	.	.			trans	-107	79.3	-179.5	-57.6	-81.8	0	0	0	110.3	Y382 V412 F419 K424 C427 R428	Y382-F414 HydrophobicContact CD2-CD1 4.13Å; Y382-F414 AromaticContact CD2-CE1 3.91Å; Y382-F414 HydrophobicContact CD2-CE1 3.91Å; Y382-F414 AromaticContact CE2-CD1 3.87Å; Y382-F414 HydrophobicContact CE2-CD1 3.87Å; Y382-F414 HydrophobicContact CE2-CE1 4.03Å; V412-F414 HydrophobicContact CB-CZ 4.39Å; V412-F414 HydrophobicContact CG1-CE2 3.74Å; V412-F414 HydrophobicContact CG1-CZ 3.69Å; V412-F414 HydrophobicContact CG2-CE1 4.01Å; V412-F414 HydrophobicContact CG2-CE2 4.17Å; V412-F414 HydrophobicContact CG2-CZ 3.77Å; F414-F419 HydrophobicContact CB-CD2 4.05Å; F414-F419 HydrophobicContact CB-CG 4.25Å; F414-F419 AromaticContact CD1-CD1 3.77Å; F414-F419 HydrophobicContact CD1-CD1 3.77Å; F414-F419 HydrophobicContact CD1-CD2 4.08Å; F414-F419 AromaticContact CD1-CE1 3.74Å; F414-F419 HydrophobicContact CD1-CE1 3.74Å; F414-F419 HydrophobicContact CD1-CE2 4.06Å; F414-F419 AromaticContact CD1-CG 3.97Å; F414-F419 HydrophobicContact CD1-CG 3.97Å; F414-F419 AromaticContact CD1-CZ 3.91Å; F414-F419 HydrophobicContact CD1-CZ 3.91Å; F414-F419 HydrophobicContact CE1-CD1 4.37Å; F414-F419 HydrophobicContact CE1-CE1 4.12Å; F414-F419 HydrophobicContact CE1-CZ 4.48Å; F414-K424 HydrophobicContact CB-CD 4.2Å; F414-K424 HydrophobicContact CB-CG 3.96Å; F414-K424 HydrophobicContact CD1-CB 4.38Å; F414-K424 HydrophobicContact CD1-CG 3.95Å; F414-K424 HydrophobicContact CD2-CB 4.29Å; F414-K424 HydrophobicContact CD2-CG 4.14Å; F414-K424 HydrophobicContact CE1-CB 4.45Å; F414-K424 HydrophobicContact CE1-CG 4.49Å; F414-K424 HydrophobicContact CE2-CB 4.37Å; F414-K424 HydrophobicContact CG-CB 4.29Å; F414-K424 HydrophobicContact CG-CD 4.38Å; F414-K424 HydrophobicContact CG-CG 3.75Å; F414-K424 HydrophobicContact CZ-CB 4.44Å; F414-K424 WeakPolarHBondContact CZ-O 3.3Å; F414-C427 HydrophobicContact CE1-CB 3.56Å; F414-C427 HydrophobicContact CZ-CB 3.78Å; F414-R428 HydrophobicContact CE2-CG 3.59Å; F414-R428 HydrophobicContact CZ-CG 3.78Å
415	Q	90.8	Very high	96.3	Very high	138 Å²	138	73.3 Å²	73.3	65%	0.645	36%	0.356	S	S	*	.			trans	-94.6	-12	-174.7	-67.4	173.5	-25.4	0	0	113.7	K413	K413-Q415 HydrophobicContact CB-CG 4.37Å
416	H	93.4	Very high	96.4	Very high	55 Å²	55	70.3 Å²	70.3	26%	0.255	34%	0.341	S	S	.	.	S	Bend	trans	-83.9	134.3	-179.8	-163.6	-82.1	0	0	0	110.3	A386 N418 F419	A386-H416 HydrophobicContact CB-CB 3.9Å; H416-N418 PolarHBondContact CE1-ND2 3.31Å; H416-N418 WeakPolarHBondContact ND1-CB 3.3Å; H416-N418 PolarHBondContact ND1-N 2.92Å; H416-N418 PolarHBondContact O-N 3.43Å; H416-F419 HydrophobicContact CB-CD2 3.81Å; H416-F419 HydrophobicContact CB-CE2 3.85Å; H416-F419 WeakPolarHBondContact O-CD2 3.29Å; H416-F419 PolarHBondContact O-N 3.36Å
417	D	93.2	Very high	96.4	Very high	157 Å²	157	66.9 Å²	66.9	84%	0.84	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.2	-172	-63.3	-31	0	0	0	113.4	F419	D417-F419 PolarHBondContact O-N 2.72Å
418	N	94.4	Very high	96.5	Very high	84 Å²	84	72.4 Å²	72.4	45%	0.449	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-4.8	178.1	-64.7	1.5	0	0	0	114.6	M290 V385 H416 T420	M290-N418 WeakPolarHBondContact CE-O 3.39Å; V385-N418 HydrophobicContact CG1-CB 3.92Å; H416-N418 PolarHBondContact CE1-ND2 3.31Å; H416-N418 WeakPolarHBondContact ND1-CB 3.3Å; H416-N418 PolarHBondContact ND1-N 2.92Å; H416-N418 PolarHBondContact O-N 3.43Å; N418-T420 PolarHBondContact O-N 3.44Å
419	F	97.9	Very high	96.6	Very high	10 Å²	10	72.3 Å²	72.3	4%	0.044	35%	0.349	C	S	.	.			trans	-74.7	110.5	175.7	-81.2	-70.1	0	0	0	111.3	Y382 V385 A386 F414 H416 D417 A423 K424	Y382-F419 HydrophobicContact CD1-CZ 4.19Å; Y382-F419 HydrophobicContact CD2-CE1 4.08Å; Y382-F419 HydrophobicContact CD2-CE2 4.29Å; Y382-F419 AromaticContact CD2-CZ 3.47Å; Y382-F419 HydrophobicContact CD2-CZ 3.47Å; Y382-F419 VanDerWaalsContact CD2-CZ 3.47Å; Y382-F419 HydrophobicContact CE1-CZ 4.28Å; Y382-F419 HydrophobicContact CE2-CE1 4.48Å; Y382-F419 AromaticContact CE2-CE2 3.95Å; Y382-F419 HydrophobicContact CE2-CE2 3.95Å; Y382-F419 AromaticContact CE2-CZ 3.6Å; Y382-F419 HydrophobicContact CE2-CZ 3.6Å; Y382-F419 HydrophobicContact CG-CE1 4.47Å; Y382-F419 AromaticContact CG-CZ 3.78Å; Y382-F419 HydrophobicContact CG-CZ 3.78Å; V385-F419 HydrophobicContact CB-CD1 4.2Å; V385-F419 HydrophobicContact CB-CE1 3.75Å; V385-F419 HydrophobicContact CB-CZ 3.93Å; V385-F419 HydrophobicContact CG1-CD1 3.69Å; V385-F419 HydrophobicContact CG1-CD2 4.04Å; V385-F419 HydrophobicContact CG1-CE1 3.72Å; V385-F419 HydrophobicContact CG1-CE2 4.08Å; V385-F419 HydrophobicContact CG1-CG 3.83Å; V385-F419 HydrophobicContact CG1-CZ 3.9Å; V385-F419 HydrophobicContact CG2-CD1 4.42Å; V385-F419 HydrophobicContact CG2-CE1 4.13Å; A386-F419 HydrophobicContact CB-CE2 3.86Å; A386-F419 HydrophobicContact CB-CZ 4.07Å; F414-F419 HydrophobicContact CB-CD2 4.05Å; F414-F419 HydrophobicContact CB-CG 4.25Å; F414-F419 AromaticContact CD1-CD1 3.77Å; F414-F419 HydrophobicContact CD1-CD1 3.77Å; F414-F419 HydrophobicContact CD1-CD2 4.08Å; F414-F419 AromaticContact CD1-CE1 3.74Å; F414-F419 HydrophobicContact CD1-CE1 3.74Å; F414-F419 HydrophobicContact CD1-CE2 4.06Å; F414-F419 AromaticContact CD1-CG 3.97Å; F414-F419 HydrophobicContact CD1-CG 3.97Å; F414-F419 AromaticContact CD1-CZ 3.91Å; F414-F419 HydrophobicContact CD1-CZ 3.91Å; F414-F419 HydrophobicContact CE1-CD1 4.37Å; F414-F419 HydrophobicContact CE1-CE1 4.12Å; F414-F419 HydrophobicContact CE1-CZ 4.48Å; H416-F419 HydrophobicContact CB-CD2 3.81Å; H416-F419 HydrophobicContact CB-CE2 3.85Å; H416-F419 WeakPolarHBondContact O-CD2 3.29Å; H416-F419 PolarHBondContact O-N 3.36Å; D417-F419 PolarHBondContact O-N 2.72Å; F419-A423 HydrophobicContact CD1-CB 4.2Å; F419-K424 HydrophobicContact CB-CD 4.4Å; F419-K424 HydrophobicContact CB-CG 3.86Å; F419-K424 HydrophobicContact CD1-CG 4.47Å; F419-K424 HydrophobicContact CG-CG 4.39Å; F419-K424 VanDerWaalsContact O-CE 3.29Å; F419-K424 WeakPolarHBondContact O-CE 3.43Å
420	T	97.9	Very high	96.7	Very high	55 Å²	55	65.7 Å²	65.7	34%	0.337	32%	0.318	S	S	.	.			trans	-71.7	163.1	165.3	62.4	0	0	0	0	111.1	M290 N418 E422 A423 K424	M290-T420 HydrophobicContact CE-CG2 4.21Å; M290-T420 HydrophobicContact CG-CG2 4.4Å; N418-T420 PolarHBondContact O-N 3.44Å; T420-E422 VanDerWaalsContact C-N 3.31Å; T420-E422 PolarHBondContact O-N 2.92Å; T420-A423 PolarHBondContact O-N 2.95Å; T420-A423 VanDerWaalsContact OG1-CB 3.3Å; T420-A423 WeakPolarHBondContact OG1-CB 3.43Å; T420-A423 PolarHBondContact OG1-N 3.05Å; T420-K424 WeakPolarHBondContact O-CG 3.33Å; T420-K424 PolarHBondContact O-N 3.2Å
421	E	98	Very high	96.8	Very high	118 Å²	118	62.7 Å²	62.7	55%	0.551	30%	0.302	S	S	*	.	H	α-helix	trans	-62.3	-39.3	177	-66.9	-52	121.7	0	0	111.9	A423 K424 D425	E421-A423 VanDerWaalsContact C-N 3.34Å; E421-A423 PolarHBondContact O-N 3.47Å; E421-K424 PolarHBondContact O-N 3.13Å; E421-K424 IonicContact OE1-NZ 2.69Å; E421-K424 PolarHBondContact OE1-NZ 3.33Å; E421-D425 WeakPolarHBondContact O-CB 3.47Å; E421-D425 PolarHBondContact O-N 3.23Å
422	E	98.3	Very high	97	Very high	55 Å²	55	55.4 Å²	55.4	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-63.6	-37.6	174.6	-63.9	92.7	153.7	0	0	112.8	T420 D425 I426 H452 F453 K455	T420-E422 VanDerWaalsContact C-N 3.31Å; T420-E422 PolarHBondContact O-N 2.92Å; E422-D425 PolarHBondContact O-N 3.41Å; E422-I426 WeakPolarHBondContact O-CG2 3.45Å; E422-I426 PolarHBondContact O-N 2.69Å; E422-H452 IonicContact OE1-CD2 3.84Å; E422-H452 IonicContact OE1-NE2 2.87Å; E422-F453 HydrophobicContact CB-CB 4.37Å; E422-F453 HydrophobicContact CB-CD2 4.35Å; E422-K455 IonicContact OE1-NZ 2.67Å; E422-K455 PolarHBondContact OE1-NZ 2.92Å
423	A	98.5	Very high	97.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-69.3	-39.6	176.7	0	0	0	0	0	111.6	M290 F419 T420 E421 D425 I426 C427 F453	M290-A423 HydrophobicContact CE-CB 3.94Å; M290-A423 HydrophobicContact SD-CB 4.29Å; F419-A423 HydrophobicContact CD1-CB 4.2Å; T420-A423 PolarHBondContact O-N 2.95Å; T420-A423 VanDerWaalsContact OG1-CB 3.3Å; T420-A423 WeakPolarHBondContact OG1-CB 3.43Å; T420-A423 PolarHBondContact OG1-N 3.05Å; E421-A423 VanDerWaalsContact C-N 3.34Å; E421-A423 PolarHBondContact O-N 3.47Å; A423-D425 VanDerWaalsContact C-N 3.35Å; A423-I426 WeakPolarHBondContact O-CG2 3.34Å; A423-C427 VanDerWaalsContact O-CB 3.31Å; A423-C427 WeakPolarHBondContact O-CB 3.5Å; A423-C427 PolarHBondContact O-N 3.25Å; A423-C427 VanDerWaalsContact O-N 3.13Å; A423-C427 PolarHBondContact O-SG 3.23Å; A423-F453 HydrophobicContact CB-CD2 4.27Å; A423-F453 HydrophobicContact CB-CE2 3.93Å
424	K	98.6	Very high	97.1	Very high	42 Å²	42	55.9 Å²	55.9	18%	0.183	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-45.6	173.5	-66.4	173	-168.6	163.6	0	110.6	F414 F419 T420 E421 C427 R428	F414-K424 HydrophobicContact CB-CD 4.2Å; F414-K424 HydrophobicContact CB-CG 3.96Å; F414-K424 HydrophobicContact CD1-CB 4.38Å; F414-K424 HydrophobicContact CD1-CG 3.95Å; F414-K424 HydrophobicContact CD2-CB 4.29Å; F414-K424 HydrophobicContact CD2-CG 4.14Å; F414-K424 HydrophobicContact CE1-CB 4.45Å; F414-K424 HydrophobicContact CE1-CG 4.49Å; F414-K424 HydrophobicContact CE2-CB 4.37Å; F414-K424 HydrophobicContact CG-CB 4.29Å; F414-K424 HydrophobicContact CG-CD 4.38Å; F414-K424 HydrophobicContact CG-CG 3.75Å; F414-K424 HydrophobicContact CZ-CB 4.44Å; F414-K424 WeakPolarHBondContact CZ-O 3.3Å; F419-K424 HydrophobicContact CB-CD 4.4Å; F419-K424 HydrophobicContact CB-CG 3.86Å; F419-K424 HydrophobicContact CD1-CG 4.47Å; F419-K424 HydrophobicContact CG-CG 4.39Å; F419-K424 VanDerWaalsContact O-CE 3.29Å; F419-K424 WeakPolarHBondContact O-CE 3.43Å; T420-K424 WeakPolarHBondContact O-CG 3.33Å; T420-K424 PolarHBondContact O-N 3.2Å; E421-K424 PolarHBondContact O-N 3.13Å; E421-K424 IonicContact OE1-NZ 2.69Å; E421-K424 PolarHBondContact OE1-NZ 3.33Å; K424-C427 PolarHBondContact O-N 3.05Å; K424-R428 VanDerWaalsContact O-CG 3.3Å; K424-R428 WeakPolarHBondContact O-CG 2.98Å; K424-R428 PolarHBondContact O-N 2.82Å
425	D	98.7	Very high	97	Very high	71 Å²	71	56.1 Å²	56.1	38%	0.38	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-51.7	-177.2	-164.7	52.4	0	0	0	112	E421 E422 A423 C427 R428 L429 H451	E421-D425 WeakPolarHBondContact O-CB 3.47Å; E421-D425 PolarHBondContact O-N 3.23Å; E422-D425 PolarHBondContact O-N 3.41Å; A423-D425 VanDerWaalsContact C-N 3.35Å; D425-C427 VanDerWaalsContact C-N 3.32Å; D425-C427 PolarHBondContact O-N 3.2Å; D425-R428 WeakPolarHBondContact O-CB 3.31Å; D425-R428 PolarHBondContact O-N 3.22Å; D425-R428 VanDerWaalsContact O-N 3.11Å; D425-L429 WeakPolarHBondContact O-CG 3.45Å; D425-L429 PolarHBondContact O-N 3.48Å; D425-H451 IonicContact OD2-CE1 2.62Å; D425-H451 IonicContact OD2-NE2 3.87Å; D425-H451 PolarHBondContact OD2-NE2 3.06Å
426	I	98.7	Very high	97.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-39.7	179.2	-161.5	172	0	0	0	111.9	I381 E422 A423 L429 F430 L439 H451 F453 F454	I381-I426 HydrophobicContact CD1-CG2 4.4Å; E422-I426 WeakPolarHBondContact O-CG2 3.45Å; E422-I426 PolarHBondContact O-N 2.69Å; A423-I426 WeakPolarHBondContact O-CG2 3.34Å; I426-L429 PolarHBondContact O-N 3.2Å; I426-F430 HydrophobicContact CD1-CD2 4.32Å; I426-F430 HydrophobicContact CD1-CE2 3.6Å; I426-F430 HydrophobicContact CD1-CZ 4.15Å; I426-F430 HydrophobicContact CG1-CD2 3.78Å; I426-F430 HydrophobicContact CG1-CE2 3.54Å; I426-F430 HydrophobicContact CG1-CZ 4.22Å; I426-F430 WeakPolarHBondContact O-CB 3.28Å; I426-F430 PolarHBondContact O-N 2.87Å; I426-L439 HydrophobicContact CD1-CD2 4.48Å; I426-L439 HydrophobicContact CG1-CD2 3.99Å; I426-H451 HydrophobicContact CD1-CB 4.26Å; I426-F453 HydrophobicContact CB-CB 4.14Å; I426-F453 HydrophobicContact CB-CG 4.33Å; I426-F453 HydrophobicContact CD1-CB 3.85Å; I426-F453 HydrophobicContact CD1-CD1 3.66Å; I426-F453 HydrophobicContact CD1-CE1 4.49Å; I426-F453 HydrophobicContact CD1-CG 3.95Å; I426-F453 HydrophobicContact CG2-CB 4.14Å; I426-F453 HydrophobicContact CG2-CD1 4.18Å; I426-F453 HydrophobicContact CG2-CD2 3.89Å; I426-F453 HydrophobicContact CG2-CE2 4.34Å; I426-F453 HydrophobicContact CG2-CG 3.81Å; I426-F454 HydrophobicContact CD1-CD2 4.33Å; I426-F454 HydrophobicContact CD1-CE2 3.59Å; I426-F454 HydrophobicContact CD1-CZ 3.97Å
427	C	98.7	Very high	97.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-42.3	175.2	-81.9	0	0	0	0	111.8	I381 F414 A423 K424 D425 L429 F430 L431	I381-C427 VanDerWaalsContact CG2-SG 3.58Å; F414-C427 HydrophobicContact CE1-CB 3.56Å; F414-C427 HydrophobicContact CZ-CB 3.78Å; A423-C427 VanDerWaalsContact O-CB 3.31Å; A423-C427 WeakPolarHBondContact O-CB 3.5Å; A423-C427 PolarHBondContact O-N 3.25Å; A423-C427 VanDerWaalsContact O-N 3.13Å; A423-C427 PolarHBondContact O-SG 3.23Å; K424-C427 PolarHBondContact O-N 3.05Å; D425-C427 VanDerWaalsContact C-N 3.32Å; D425-C427 PolarHBondContact O-N 3.2Å; C427-L429 VanDerWaalsContact C-N 3.32Å; C427-L429 PolarHBondContact O-N 3.28Å; C427-F430 PolarHBondContact O-N 2.89Å; C427-L431 HydrophobicContact CB-CD1 4.46Å; C427-L431 WeakPolarHBondContact O-CB 3.24Å; C427-L431 WeakPolarHBondContact O-CG 3.49Å; C427-L431 PolarHBondContact O-N 3.04Å
428	R	98.4	Very high	97.7	Very high	118 Å²	118	50.4 Å²	50.4	45%	0.445	24%	0.243	S	C	.	.	H	α-helix	trans	-60.4	-44.1	176	-75.3	178.4	-170	120.5	-1.4	111.2	V412 F414 K424 D425 L431 A432	V412-R428 HydrophobicContact CG1-CG 4.31Å; F414-R428 HydrophobicContact CE2-CG 3.59Å; F414-R428 HydrophobicContact CZ-CG 3.78Å; K424-R428 VanDerWaalsContact O-CG 3.3Å; K424-R428 WeakPolarHBondContact O-CG 2.98Å; K424-R428 PolarHBondContact O-N 2.82Å; D425-R428 WeakPolarHBondContact O-CB 3.31Å; D425-R428 PolarHBondContact O-N 3.22Å; D425-R428 VanDerWaalsContact O-N 3.11Å; R428-L431 PolarHBondContact O-N 2.88Å; R428-A432 PolarHBondContact O-N 3.11Å
429	L	98.4	Very high	97.8	Very high	40 Å²	40	46.5 Å²	46.5	21%	0.209	22%	0.223	C	C	.	.	H	α-helix	trans	-67.5	-40.3	-179.3	-68.2	174.8	0	0	0	112.6	D425 I426 C427 R438 L439	D425-L429 WeakPolarHBondContact O-CG 3.45Å; D425-L429 PolarHBondContact O-N 3.48Å; I426-L429 PolarHBondContact O-N 3.2Å; C427-L429 VanDerWaalsContact C-N 3.32Å; C427-L429 PolarHBondContact O-N 3.28Å; L429-R438 WeakPolarHBondContact O-CA 3.24Å; L429-L439 HydrophobicContact CB-CB 3.8Å; L429-L439 HydrophobicContact CB-CD2 4.42Å; L429-L439 HydrophobicContact CD1-CD2 4.48Å; L429-L439 PolarHBondContact O-N 2.8Å; L429-L439 VanDerWaalsContact O-N 3.13Å
430	F	98.6	Very high	97.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-72.4	-33.2	174.4	-77.7	-35.5	0	0	0	113.4	W374 F375 M377 I381 I426 C427 A432 R438 L439 P448	W374-F430 HydrophobicContact CB-CD1 3.87Å; W374-F430 HydrophobicContact CB-CE1 4.12Å; W374-F430 HydrophobicContact CD2-CE1 4.04Å; W374-F430 HydrophobicContact CE3-CD1 4.33Å; W374-F430 AromaticContact CE3-CE1 3.49Å; W374-F430 HydrophobicContact CE3-CE1 3.49Å; W374-F430 VanDerWaalsContact CE3-CE1 3.49Å; W374-F430 AromaticContact CE3-CZ 3.76Å; W374-F430 HydrophobicContact CE3-CZ 3.76Å; W374-F430 HydrophobicContact CG-CE1 4.31Å; W374-F430 HydrophobicContact CZ3-CE1 4.28Å; W374-F430 HydrophobicContact CZ3-CZ 4.19Å; W374-F430 WeakPolarHBondContact O-CB 3.19Å; F375-F430 WeakPolarHBondContact CA-O 3.3Å; M377-F430 HydrophobicContact CE-CE2 4.08Å; M377-F430 HydrophobicContact CE-CZ 4.33Å; M377-F430 HydrophobicContact CG-CD2 4.37Å; M377-F430 HydrophobicContact CG-CE2 4.02Å; M377-F430 HydrophobicContact CG-CZ 4.48Å; M377-F430 HydrophobicContact SD-CE2 3.94Å; M377-F430 HydrophobicContact SD-CZ 3.91Å; I381-F430 HydrophobicContact CD1-CD2 3.98Å; I381-F430 HydrophobicContact CD1-CE2 3.82Å; I426-F430 HydrophobicContact CD1-CD2 4.32Å; I426-F430 HydrophobicContact CD1-CE2 3.6Å; I426-F430 HydrophobicContact CD1-CZ 4.15Å; I426-F430 HydrophobicContact CG1-CD2 3.78Å; I426-F430 HydrophobicContact CG1-CE2 3.54Å; I426-F430 HydrophobicContact CG1-CZ 4.22Å; I426-F430 WeakPolarHBondContact O-CB 3.28Å; I426-F430 PolarHBondContact O-N 2.87Å; C427-F430 PolarHBondContact O-N 2.89Å; F430-A432 VanDerWaalsContact C-N 3.26Å; F430-A432 PolarHBondContact O-N 2.73Å; F430-R438 WeakPolarHBondContact O-CD 3.45Å; F430-R438 WeakPolarHBondContact O-CG 3.29Å; F430-R438 PolarHBondContact O-NE 3.31Å; F430-L439 HydrophobicContact CD1-CB 3.84Å; F430-L439 HydrophobicContact CD1-CD2 4.15Å; F430-L439 HydrophobicContact CD1-CG 4.18Å; F430-L439 WeakPolarHBondContact CD1-O 3.41Å; F430-L439 HydrophobicContact CE1-CB 3.94Å; F430-L439 HydrophobicContact CE1-CD2 3.68Å; F430-L439 HydrophobicContact CE1-CG 3.75Å; F430-L439 HydrophobicContact CZ-CD2 3.9Å; F430-L439 HydrophobicContact CZ-CG 4.41Å; F430-P448 HydrophobicContact CE1-CB 3.9Å; F430-P448 HydrophobicContact CE1-CG 4.14Å; F430-P448 HydrophobicContact CZ-CB 3.75Å; F430-P448 HydrophobicContact CZ-CG 4.42Å
431	L	98.6	Very high	97.6	Very high	7 Å²	7	46 Å²	46	4%	0.037	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	10.2	-179.7	-64	171.5	0	0	0	113.3	F375 P390 V412 C427 R428 K433	F375-L431 HydrophobicContact CD1-CD2 4.45Å; F375-L431 HydrophobicContact CD2-CD2 4.06Å; F375-L431 HydrophobicContact CE1-CD2 4.24Å; F375-L431 HydrophobicContact CE2-CB 4.38Å; F375-L431 HydrophobicContact CE2-CD2 3.81Å; F375-L431 HydrophobicContact CG-CD2 4.38Å; F375-L431 HydrophobicContact CZ-CD2 3.92Å; P390-L431 HydrophobicContact CB-CD1 4.17Å; P390-L431 HydrophobicContact CG-CD1 3.84Å; P390-L431 HydrophobicContact CG-CD2 4.41Å; V412-L431 HydrophobicContact CB-CD1 4.1Å; V412-L431 HydrophobicContact CG1-CD1 4.32Å; V412-L431 HydrophobicContact CG2-CD1 3.83Å; C427-L431 HydrophobicContact CB-CD1 4.46Å; C427-L431 WeakPolarHBondContact O-CB 3.24Å; C427-L431 WeakPolarHBondContact O-CG 3.49Å; C427-L431 PolarHBondContact O-N 3.04Å; R428-L431 PolarHBondContact O-N 2.88Å; L431-K433 PolarHBondContact O-N 3.34Å
432	A	98.1	Very high	97.3	Very high	17 Å²	17	45.9 Å²	45.9	14%	0.14	22%	0.221	C	C	.	.			trans	-54.3	127.2	171.5	0	0	0	0	0	110	R428 F430 K434 Q437 R438	R428-A432 PolarHBondContact O-N 3.11Å; F430-A432 VanDerWaalsContact C-N 3.26Å; F430-A432 PolarHBondContact O-N 2.73Å; A432-K434 VanDerWaalsContact C-N 3.3Å; A432-K434 PolarHBondContact O-N 2.87Å; A432-Q437 HydrophobicContact CB-CB 4.11Å; A432-R438 HydrophobicContact CB-CB 4.17Å; A432-R438 HydrophobicContact CB-CG 4.49Å; A432-R438 PolarHBondContact O-NE 3.19Å; A432-R438 PolarHBondContact O-NH2 2.97Å
433	K	96.6	Very high	97	Very high	60 Å²	60	49.1 Å²	49.1	26%	0.261	24%	0.236	S	C	.	.	S	Bend	trans	-68.1	-34.1	-173.2	-54.3	-60.8	-175.3	178.6	0	112.1	P359 T407 D410 L431 R438	P359-K433 HydrophobicContact CG-CB 4.25Å; P359-K433 HydrophobicContact CG-CD 3.94Å; T407-K433 WeakPolarHBondContact O-CE 3.35Å; T407-K433 PolarHBondContact O-NZ 3.15Å; D410-K433 WeakPolarHBondContact O-CE 3.29Å; D410-K433 PolarHBondContact O-NZ 3.4Å; L431-K433 PolarHBondContact O-N 3.34Å; K433-R438 PolarHBondContact O-NH2 3.38Å
434	K	96.3	Very high	96.3	Very high	113 Å²	113	59.8 Å²	59.8	49%	0.491	28%	0.282	S	S	.	.	S	Bend	trans	-88.8	126.5	176.8	-66.4	-173.6	177.3	-171.7	0	110.5	A432 E436 Q437 R438	A432-K434 VanDerWaalsContact C-N 3.3Å; A432-K434 PolarHBondContact O-N 2.87Å; K434-E436 VanDerWaalsContact C-N 3.29Å; K434-E436 HydrophobicContact CB-CG 4.5Å; K434-E436 PolarHBondContact O-N 3.16Å; K434-Q437 HydrophobicContact CB-CB 4.38Å; K434-Q437 HydrophobicContact CB-CG 4.22Å; K434-Q437 PolarHBondContact O-N 2.87Å; K434-Q437 VanDerWaalsContact O-N 3.08Å; K434-R438 PolarHBondContact O-N 3Å
435	P	95.9	Very high	95.8	Very high	39 Å²	39	61.5 Å²	61.5	25%	0.253	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-55.4	-39.4	179.9	-27.5	35.9	0	0	0	114	E360 P371 Q437 R438 S441	E360-P435 HydrophobicContact CG-CG 4.37Å; P371-P435 HydrophobicContact CB-CB 3.97Å; P371-P435 HydrophobicContact CG-CB 4.24Å; P435-Q437 PolarHBondContact O-N 3.38Å; P435-R438 VanDerWaalsContact O-CB 3.29Å; P435-R438 WeakPolarHBondContact O-CB 3.25Å; P435-R438 PolarHBondContact O-N 3.37Å; P435-S441 PolarHBondContact O-OG 3.37Å
436	E	95.8	Very high	95.6	Very high	118 Å²	118	58.8 Å²	58.8	55%	0.551	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-68.6	-12.6	-179.6	65.8	-86.2	-162.2	0	0	114.1	K434 R442	K434-E436 VanDerWaalsContact C-N 3.29Å; K434-E436 HydrophobicContact CB-CG 4.5Å; K434-E436 PolarHBondContact O-N 3.16Å; E436-R442 WeakPolarHBondContact O-CA 3.44Å
437	Q	96.8	Very high	95.5	Very high	111 Å²	111	60.4 Å²	60.4	52%	0.519	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-102.7	-5	174.3	-63.7	178.5	-19.3	0	0	112.1	A432 K434 P435	A432-Q437 HydrophobicContact CB-CB 4.11Å; K434-Q437 HydrophobicContact CB-CB 4.38Å; K434-Q437 HydrophobicContact CB-CG 4.22Å; K434-Q437 PolarHBondContact O-N 2.87Å; K434-Q437 VanDerWaalsContact O-N 3.08Å; P435-Q437 PolarHBondContact O-N 3.38Å
438	R	97.9	Very high	95.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-87.1	128.5	-172.9	-164.6	177.5	-61.3	145.3	5.5	110.9	E360 P371 W374 L429 F430 A432 K433 K434 P435 G440 S441 R442	E360-R438 IonicContact OE1-CZ 2.58Å; E360-R438 IonicContact OE1-NH1 2.84Å; E360-R438 PolarHBondContact OE1-NH1 3.47Å; E360-R438 IonicContact OE1-NH2 2.63Å; E360-R438 PolarHBondContact OE1-NH2 3.14Å; E360-R438 IonicContact OE2-CZ 3.75Å; E360-R438 IonicContact OE2-NH1 3.61Å; E360-R438 IonicContact OE2-NH2 2.95Å; E360-R438 PolarHBondContact OE2-NH2 3.26Å; P371-R438 VanDerWaalsContact O-CD 3.29Å; P371-R438 WeakPolarHBondContact O-CD 3.49Å; P371-R438 PolarHBondContact O-NH1 3.29Å; W374-R438 HydrophobicContact CB-CG 4.47Å; L429-R438 WeakPolarHBondContact O-CA 3.24Å; F430-R438 WeakPolarHBondContact O-CD 3.45Å; F430-R438 WeakPolarHBondContact O-CG 3.29Å; F430-R438 PolarHBondContact O-NE 3.31Å; A432-R438 HydrophobicContact CB-CB 4.17Å; A432-R438 HydrophobicContact CB-CG 4.49Å; A432-R438 PolarHBondContact O-NE 3.19Å; A432-R438 PolarHBondContact O-NH2 2.97Å; K433-R438 PolarHBondContact O-NH2 3.38Å; K434-R438 PolarHBondContact O-N 3Å; P435-R438 VanDerWaalsContact O-CB 3.29Å; P435-R438 WeakPolarHBondContact O-CB 3.25Å; P435-R438 PolarHBondContact O-N 3.37Å; R438-G440 PolarHBondContact O-N 3.1Å; R438-S441 PolarHBondContact O-N 2.97Å; R438-S441 PolarHBondContact O-OG 3.34Å; R438-R442 WeakPolarHBondContact O-CG 3.46Å; R438-R442 PolarHBondContact O-N 3.48Å
439	L	98.1	Very high	95.4	Very high	3 Å²	3	58 Å²	58	2%	0.016	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	133.5	175.5	175.4	68.6	0	0	0	110.4	I426 L429 F430 D446 P448 H451	I426-L439 HydrophobicContact CD1-CD2 4.48Å; I426-L439 HydrophobicContact CG1-CD2 3.99Å; L429-L439 HydrophobicContact CB-CB 3.8Å; L429-L439 HydrophobicContact CB-CD2 4.42Å; L429-L439 HydrophobicContact CD1-CD2 4.48Å; L429-L439 PolarHBondContact O-N 2.8Å; L429-L439 VanDerWaalsContact O-N 3.13Å; F430-L439 HydrophobicContact CD1-CB 3.84Å; F430-L439 HydrophobicContact CD1-CD2 4.15Å; F430-L439 HydrophobicContact CD1-CG 4.18Å; F430-L439 WeakPolarHBondContact CD1-O 3.41Å; F430-L439 HydrophobicContact CE1-CB 3.94Å; F430-L439 HydrophobicContact CE1-CD2 3.68Å; F430-L439 HydrophobicContact CE1-CG 3.75Å; F430-L439 HydrophobicContact CZ-CD2 3.9Å; F430-L439 HydrophobicContact CZ-CG 4.41Å; L439-D446 WeakPolarHBondContact CA-OD2 3.43Å; L439-P448 HydrophobicContact CD2-CB 4.08Å; L439-P448 HydrophobicContact CG-CB 3.99Å; L439-P448 HydrophobicContact CG-CG 4.2Å; L439-H451 HydrophobicContact CD2-CB 4.36Å
440	G	95.6	Very high	95.3	Very high	22 Å²	22	64 Å²	64	23%	0.227	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.2	-6.2	-170.9	0	0	0	0	0	113.6	R438 D446	R438-G440 PolarHBondContact O-N 3.1Å; G440-D446 VanDerWaalsContact CA-O 3.28Å; G440-D446 WeakPolarHBondContact CA-O 3.46Å; G440-D446 PolarHBondContact N-OD2 2.86Å
441	S	94.4	Very high	95.3	Very high	33 Å²	33	65.2 Å²	65.2	23%	0.231	31%	0.314	C	S	.	.	S	Bend	trans	-151.1	12.4	-178.3	54.9	0	0	0	0	115.5	P435 R438 D446	P435-S441 PolarHBondContact O-OG 3.37Å; R438-S441 PolarHBondContact O-N 2.97Å; R438-S441 PolarHBondContact O-OG 3.34Å; S441-D446 PolarHBondContact N-OD2 2.68Å
442	R	92.1	Very high	95.3	Very high	115 Å²	115	70 Å²	70	43%	0.434	34%	0.337	S	S	.	.	S	Bend	trans	-72.9	-36.3	178.8	-59.1	174.5	-65.5	174	8.5	112.2	E436 R438 D446	E436-R442 WeakPolarHBondContact O-CA 3.44Å; R438-R442 WeakPolarHBondContact O-CG 3.46Å; R438-R442 PolarHBondContact O-N 3.48Å; R442-D446 VanDerWaalsContact CB-OD2 3.31Å; R442-D446 WeakPolarHBondContact CB-OD2 2.99Å; R442-D446 VanDerWaalsContact CG-OD2 3.31Å; R442-D446 WeakPolarHBondContact CG-OD2 3.26Å; R442-D446 IonicContact CZ-OD1 3.71Å; R442-D446 IonicContact CZ-OD2 3.05Å; R442-D446 PolarHBondContact N-OD2 2.74Å; R442-D446 VanDerWaalsContact N-OD2 3.1Å; R442-D446 IonicContact NE-OD1 3.78Å; R442-D446 PolarHBondContact NE-OD1 3.31Å; R442-D446 IonicContact NE-OD2 3.46Å; R442-D446 PolarHBondContact NE-OD2 3.28Å; R442-D446 IonicContact NH2-OD1 3.74Å; R442-D446 PolarHBondContact NH2-OD1 3.48Å; R442-D446 IonicContact NH2-OD2 3.52Å
443	E	91.4	Very high	95.3	Very high	123 Å²	123	69.5 Å²	69.5	58%	0.575	33%	0.331	S	S	*	.	S	Bend	trans	-145.2	169.2	176.4	58.9	173.2	-160.2	0	0	110.1	S445 D446	E443-S445 PolarHBondContact O-N 3.41Å; E443-S445 PolarHBondContact OE1-OG 2.96Å; E443-D446 HydrophobicContact CG-CB 3.7Å; E443-D446 VanDerWaalsContact O-CB 3.29Å; E443-D446 WeakPolarHBondContact O-CB 3.39Å; E443-D446 PolarHBondContact O-N 2.9Å
444	K	84.2	Confident	95.4	Very high	224 Å²	224	66.8 Å²	66.8	97%	0.974	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-29	-176	-170.7	178.1	178	-176	0	113.2
445	S	89.6	Confident	95.5	Very high	77 Å²	77	67.2 Å²	67.2	54%	0.538	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	17.2	-177.7	49.2	0	0	0	0	113.8	E443 D447	E443-S445 PolarHBondContact O-N 3.41Å; E443-S445 PolarHBondContact OE1-OG 2.96Å; S445-D447 PolarHBondContact O-N 3.37Å
446	D	93.8	Very high	95.5	Very high	15 Å²	15	70.1 Å²	70.1	8%	0.08	34%	0.338	C	S	.	.			trans	-73.6	71.5	-174.4	-167	28.9	0	0	0	112	L439 G440 S441 R442 E443 P448	L439-D446 WeakPolarHBondContact CA-OD2 3.43Å; G440-D446 VanDerWaalsContact CA-O 3.28Å; G440-D446 WeakPolarHBondContact CA-O 3.46Å; G440-D446 PolarHBondContact N-OD2 2.86Å; S441-D446 PolarHBondContact N-OD2 2.68Å; R442-D446 VanDerWaalsContact CB-OD2 3.31Å; R442-D446 WeakPolarHBondContact CB-OD2 2.99Å; R442-D446 VanDerWaalsContact CG-OD2 3.31Å; R442-D446 WeakPolarHBondContact CG-OD2 3.26Å; R442-D446 IonicContact CZ-OD1 3.71Å; R442-D446 IonicContact CZ-OD2 3.05Å; R442-D446 PolarHBondContact N-OD2 2.74Å; R442-D446 VanDerWaalsContact N-OD2 3.1Å; R442-D446 IonicContact NE-OD1 3.78Å; R442-D446 PolarHBondContact NE-OD1 3.31Å; R442-D446 IonicContact NE-OD2 3.46Å; R442-D446 PolarHBondContact NE-OD2 3.28Å; R442-D446 IonicContact NH2-OD1 3.74Å; R442-D446 PolarHBondContact NH2-OD1 3.48Å; R442-D446 IonicContact NH2-OD2 3.52Å; E443-D446 HydrophobicContact CG-CB 3.7Å; E443-D446 VanDerWaalsContact O-CB 3.29Å; E443-D446 WeakPolarHBondContact O-CB 3.39Å; E443-D446 PolarHBondContact O-N 2.9Å; D446-P448 VanDerWaalsContact O-CD 3.24Å; D446-P448 WeakPolarHBondContact O-CD 3.5Å
447	D	96.2	Very high	95.5	Very high	33 Å²	33	65.6 Å²	65.6	18%	0.176	32%	0.318	C	S	.	.			trans	-76.2	113.4	-179	-172.5	-14.8	0	0	0	111.1	S445 R449 K450	S445-D447 PolarHBondContact O-N 3.37Å; D447-R449 PolarHBondContact O-N 3.3Å; D447-R449 VanDerWaalsContact O-N 3.12Å; D447-R449 WeakPolarHBondContact OD1-CB 3.27Å; D447-R449 VanDerWaalsContact OD1-CG 3.28Å; D447-R449 WeakPolarHBondContact OD1-CG 3.11Å; D447-R449 PolarHBondContact OD1-N 3.05Å; D447-R449 IonicContact OD1-NE 3.91Å; D447-R449 PolarHBondContact OD1-NE 3.47Å; D447-R449 VanDerWaalsContact OD1-NE 3.09Å; D447-R449 IonicContact OD2-CZ 3.73Å; D447-R449 IonicContact OD2-NE 3.54Å; D447-R449 PolarHBondContact OD2-NE 2.59Å; D447-R449 VanDerWaalsContact OD2-NE 3.07Å; D447-R449 IonicContact OD2-NH2 2.63Å; D447-R449 PolarHBondContact OD2-NH2 2.99Å; D447-K450 HydrophobicContact CB-CD 4.19Å; D447-K450 HydrophobicContact CB-CG 4.25Å; D447-K450 PolarHBondContact O-N 3.05Å; D447-K450 VanDerWaalsContact O-N 3.15Å
448	P	97.1	Very high	95.5	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.006	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-62.1	-22.6	-178.8	-24.1	37.3	0	0	0	114	W374 F430 L439 D446 K450 H451 F454	W374-P448 HydrophobicContact CD2-CG 4.12Å; W374-P448 HydrophobicContact CE3-CB 4.45Å; W374-P448 HydrophobicContact CE3-CG 3.99Å; W374-P448 HydrophobicContact CH2-CB 4.35Å; W374-P448 HydrophobicContact CH2-CG 3.71Å; W374-P448 HydrophobicContact CZ2-CG 3.82Å; W374-P448 HydrophobicContact CZ3-CB 4.09Å; W374-P448 HydrophobicContact CZ3-CG 3.77Å; F430-P448 HydrophobicContact CE1-CB 3.9Å; F430-P448 HydrophobicContact CE1-CG 4.14Å; F430-P448 HydrophobicContact CZ-CB 3.75Å; F430-P448 HydrophobicContact CZ-CG 4.42Å; L439-P448 HydrophobicContact CD2-CB 4.08Å; L439-P448 HydrophobicContact CG-CB 3.99Å; L439-P448 HydrophobicContact CG-CG 4.2Å; D446-P448 VanDerWaalsContact O-CD 3.24Å; D446-P448 WeakPolarHBondContact O-CD 3.5Å; P448-K450 PolarHBondContact O-N 3.48Å; P448-H451 VanDerWaalsContact O-CB 3.3Å; P448-H451 WeakPolarHBondContact O-CB 3.22Å; P448-H451 PolarHBondContact O-N 3.09Å; P448-H451 VanDerWaalsContact O-N 3.17Å; P448-F454 WeakPolarHBondContact O-CD2 3.33Å; P448-F454 WeakPolarHBondContact O-CE2 3.4Å
449	R	97.8	Very high	95.5	Very high	68 Å²	68	63.6 Å²	63.6	26%	0.257	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-63.7	-21.4	178.6	-62.4	-179	-64.7	177.2	3.9	112.8	A301 L305 D447 H451 F459 E463	A301-R449 HydrophobicContact CB-CG 4.45Å; L305-R449 HydrophobicContact CD1-CG 3.94Å; D447-R449 PolarHBondContact O-N 3.3Å; D447-R449 VanDerWaalsContact O-N 3.12Å; D447-R449 WeakPolarHBondContact OD1-CB 3.27Å; D447-R449 VanDerWaalsContact OD1-CG 3.28Å; D447-R449 WeakPolarHBondContact OD1-CG 3.11Å; D447-R449 PolarHBondContact OD1-N 3.05Å; D447-R449 IonicContact OD1-NE 3.91Å; D447-R449 PolarHBondContact OD1-NE 3.47Å; D447-R449 VanDerWaalsContact OD1-NE 3.09Å; D447-R449 IonicContact OD2-CZ 3.73Å; D447-R449 IonicContact OD2-NE 3.54Å; D447-R449 PolarHBondContact OD2-NE 2.59Å; D447-R449 VanDerWaalsContact OD2-NE 3.07Å; D447-R449 IonicContact OD2-NH2 2.63Å; D447-R449 PolarHBondContact OD2-NH2 2.99Å; R449-H451 VanDerWaalsContact C-N 3.27Å; R449-H451 PolarHBondContact O-N 2.98Å; R449-F459 HydrophobicContact CB-CD1 4.31Å; R449-F459 HydrophobicContact CB-CD2 3.92Å; R449-F459 HydrophobicContact CB-CE1 3.92Å; R449-F459 HydrophobicContact CB-CE2 3.51Å; R449-F459 HydrophobicContact CB-CG 4.3Å; R449-F459 HydrophobicContact CB-CZ 3.49Å; R449-F459 VanDerWaalsContact CB-CZ 3.49Å; R449-F459 VanDerWaalsContact CD-CD1 3.46Å; R449-F459 HydrophobicContact CG-CD1 3.95Å; R449-F459 HydrophobicContact CG-CD2 4.46Å; R449-F459 HydrophobicContact CG-CE1 3.47Å; R449-F459 VanDerWaalsContact CG-CE1 3.47Å; R449-F459 HydrophobicContact CG-CE2 4.06Å; R449-F459 HydrophobicContact CG-CG 4.41Å; R449-F459 HydrophobicContact CG-CZ 3.53Å; R449-F459 WeakPolarHBondContact O-CE2 3.18Å; R449-E463 IonicContact NH1-OE1 2.8Å; R449-E463 PolarHBondContact NH1-OE1 3.39Å
450	K	97.4	Very high	95.3	Very high	166 Å²	166	67 Å²	67	72%	0.722	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-79.1	-6.9	178.3	-63.7	178.8	-178.7	173.5	0	113.8	D447 P448	D447-K450 HydrophobicContact CB-CD 4.19Å; D447-K450 HydrophobicContact CB-CG 4.25Å; D447-K450 PolarHBondContact O-N 3.05Å; D447-K450 VanDerWaalsContact O-N 3.15Å; P448-K450 PolarHBondContact O-N 3.48Å
451	H	98.4	Very high	95.4	Very high	25 Å²	25	67.8 Å²	67.8	12%	0.116	33%	0.328	C	S	.	.	S	Bend	trans	-66.9	144	179.9	-170.2	-89.5	0	0	0	111.7	D425 I426 L439 P448 R449 F453 F454	D425-H451 IonicContact OD2-CE1 2.62Å; D425-H451 IonicContact OD2-NE2 3.87Å; D425-H451 PolarHBondContact OD2-NE2 3.06Å; I426-H451 HydrophobicContact CD1-CB 4.26Å; L439-H451 HydrophobicContact CD2-CB 4.36Å; P448-H451 VanDerWaalsContact O-CB 3.3Å; P448-H451 WeakPolarHBondContact O-CB 3.22Å; P448-H451 PolarHBondContact O-N 3.09Å; P448-H451 VanDerWaalsContact O-N 3.17Å; R449-H451 VanDerWaalsContact C-N 3.27Å; R449-H451 PolarHBondContact O-N 2.98Å; H451-F453 WeakPolarHBondContact ND1-CB 3.3Å; H451-F453 PolarHBondContact ND1-N 3.37Å; H451-F453 PolarHBondContact O-N 3.31Å; H451-F454 HydrophobicContact CB-CD2 4.39Å; H451-F454 PolarHBondContact O-N 3.09Å
452	H	98.1	Very high	95.5	Very high	108 Å²	108	66.4 Å²	66.4	50%	0.5	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-60.1	-21	-177.3	-164.3	64.4	0	0	0	114.2	E422 F454 K455	E422-H452 IonicContact OE1-CD2 3.84Å; E422-H452 IonicContact OE1-NE2 2.87Å; H452-F454 PolarHBondContact O-N 2.75Å; H452-K455 WeakPolarHBondContact CE1-CD 3.41Å; H452-K455 WeakPolarHBondContact NE2-CD 3.26Å; H452-K455 PolarHBondContact NE2-NZ 2.72Å; H452-K455 VanDerWaalsContact O-CB 3.25Å; H452-K455 WeakPolarHBondContact O-CB 3.47Å; H452-K455 WeakPolarHBondContact O-CD 3.48Å; H452-K455 VanDerWaalsContact O-CG 3.28Å; H452-K455 WeakPolarHBondContact O-CG 3.48Å; H452-K455 PolarHBondContact O-N 3.44Å; H452-K455 VanDerWaalsContact O-N 3.09Å
453	F	98.7	Very high	95.7	Very high	5 Å²	5	64.9 Å²	64.9	2%	0.022	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-55.2	-32.1	170.1	179.9	-102.7	0	0	0	112.8	M290 V293 I294 I381 E422 A423 I426 H451	M290-F453 HydrophobicContact SD-CE2 3.93Å; M290-F453 HydrophobicContact SD-CZ 4.46Å; V293-F453 HydrophobicContact CG1-CZ 4.08Å; I294-F453 HydrophobicContact CB-CE1 4.37Å; I294-F453 HydrophobicContact CB-CZ 4.3Å; I294-F453 HydrophobicContact CG1-CD1 4.47Å; I294-F453 HydrophobicContact CG1-CD2 4.3Å; I294-F453 HydrophobicContact CG1-CE1 3.93Å; I294-F453 HydrophobicContact CG1-CE2 3.73Å; I294-F453 HydrophobicContact CG1-CZ 3.52Å; I381-F453 HydrophobicContact CG2-CZ 4.37Å; E422-F453 HydrophobicContact CB-CB 4.37Å; E422-F453 HydrophobicContact CB-CD2 4.35Å; A423-F453 HydrophobicContact CB-CD2 4.27Å; A423-F453 HydrophobicContact CB-CE2 3.93Å; I426-F453 HydrophobicContact CB-CB 4.14Å; I426-F453 HydrophobicContact CB-CG 4.33Å; I426-F453 HydrophobicContact CD1-CB 3.85Å; I426-F453 HydrophobicContact CD1-CD1 3.66Å; I426-F453 HydrophobicContact CD1-CE1 4.49Å; I426-F453 HydrophobicContact CD1-CG 3.95Å; I426-F453 HydrophobicContact CG2-CB 4.14Å; I426-F453 HydrophobicContact CG2-CD1 4.18Å; I426-F453 HydrophobicContact CG2-CD2 3.89Å; I426-F453 HydrophobicContact CG2-CE2 4.34Å; I426-F453 HydrophobicContact CG2-CG 3.81Å; H451-F453 WeakPolarHBondContact ND1-CB 3.3Å; H451-F453 PolarHBondContact ND1-N 3.37Å; H451-F453 PolarHBondContact O-N 3.31Å
454	F	98.6	Very high	95.8	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.018	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-97.6	13.8	178.7	-59.1	-64.4	0	0	0	113.7	I294 A298 M377 I426 P448 H451 H452 T456 I457 F459	I294-F454 HydrophobicContact CG2-CD1 4.27Å; A298-F454 HydrophobicContact CB-CD1 3.93Å; A298-F454 HydrophobicContact CB-CE1 3.96Å; M377-F454 HydrophobicContact CE-CZ 4.06Å; I426-F454 HydrophobicContact CD1-CD2 4.33Å; I426-F454 HydrophobicContact CD1-CE2 3.59Å; I426-F454 HydrophobicContact CD1-CZ 3.97Å; P448-F454 WeakPolarHBondContact O-CD2 3.33Å; P448-F454 WeakPolarHBondContact O-CE2 3.4Å; H451-F454 HydrophobicContact CB-CD2 4.39Å; H451-F454 PolarHBondContact O-N 3.09Å; H452-F454 PolarHBondContact O-N 2.75Å; F454-T456 PolarHBondContact O-N 2.75Å; F454-I457 WeakPolarHBondContact O-CB 3.21Å; F454-I457 PolarHBondContact O-N 2.98Å; F454-F459 HydrophobicContact CB-CE2 3.76Å; F454-F459 HydrophobicContact CB-CZ 3.94Å; F454-F459 HydrophobicContact CD1-CZ 4.16Å; F454-F459 HydrophobicContact CD2-CZ 4.29Å; F454-F459 HydrophobicContact CG-CE2 4.22Å; F454-F459 AromaticContact CG-CZ 3.89Å; F454-F459 HydrophobicContact CG-CZ 3.89Å
455	K	96.9	Very high	96.3	Very high	122 Å²	122	53.1 Å²	53.1	53%	0.53	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.6	-175.7	71	-168.1	178.8	-167.3	0	114.8	E422 H452	E422-K455 IonicContact OE1-NZ 2.67Å; E422-K455 PolarHBondContact OE1-NZ 2.92Å; H452-K455 WeakPolarHBondContact CE1-CD 3.41Å; H452-K455 WeakPolarHBondContact NE2-CD 3.26Å; H452-K455 PolarHBondContact NE2-NZ 2.72Å; H452-K455 VanDerWaalsContact O-CB 3.25Å; H452-K455 WeakPolarHBondContact O-CB 3.47Å; H452-K455 WeakPolarHBondContact O-CD 3.48Å; H452-K455 VanDerWaalsContact O-CG 3.28Å; H452-K455 WeakPolarHBondContact O-CG 3.48Å; H452-K455 PolarHBondContact O-N 3.44Å; H452-K455 VanDerWaalsContact O-N 3.09Å
456	T	96	Very high	96.6	Very high	99 Å²	99	53.3 Å²	53.3	61%	0.607	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	0.3	179.7	60.4	0	0	0	0	113.4	F454	F454-T456 PolarHBondContact O-N 2.75Å
457	I	97.4	Very high	96.7	Very high	24 Å²	24	54.4 Å²	54.4	12%	0.123	29%	0.286	C	S	.	.			trans	-108.1	121	-175.6	-58	-60.4	0	0	0	109.9	I294 A298 F454 F459 L462 I467	I294-I457 HydrophobicContact CG2-CD1 4.1Å; I294-I457 HydrophobicContact CG2-CG1 3.8Å; A298-I457 HydrophobicContact CB-CG1 4.13Å; A298-I457 HydrophobicContact CB-CG2 4.02Å; F454-I457 WeakPolarHBondContact O-CB 3.21Å; F454-I457 PolarHBondContact O-N 2.98Å; I457-F459 HydrophobicContact CB-CE2 4.21Å; I457-F459 HydrophobicContact CG2-CD1 4.26Å; I457-F459 HydrophobicContact CG2-CD2 4.07Å; I457-F459 HydrophobicContact CG2-CE1 4.23Å; I457-F459 HydrophobicContact CG2-CE2 4.01Å; I457-F459 HydrophobicContact CG2-CG 4.21Å; I457-F459 HydrophobicContact CG2-CZ 4.1Å; I457-F459 PolarHBondContact O-N 3.33Å; I457-L462 HydrophobicContact CG2-CB 4.31Å; I457-L462 HydrophobicContact CG2-CD2 3.93Å; I457-I467 HydrophobicContact CG2-CD1 4.31Å
458	N	96.1	Very high	96.6	Very high	47 Å²	47	61.5 Å²	61.5	25%	0.251	32%	0.318	S	S	.	.			trans	-87	99.3	165.6	-177.3	-49.5	0	0	0	108.8	P460 R461 L462 I467	N458-P460 VanDerWaalsContact OD1-CD 3.3Å; N458-P460 WeakPolarHBondContact OD1-CD 3.31Å; N458-R461 HydrophobicContact CB-CB 4.18Å; N458-R461 HydrophobicContact CB-CG 4.42Å; N458-R461 PolarHBondContact O-N 3.1Å; N458-R461 WeakPolarHBondContact OD1-CG 3.42Å; N458-R461 PolarHBondContact OD1-N 3.42Å; N458-R461 VanDerWaalsContact OD1-N 3.12Å; N458-L462 PolarHBondContact O-N 2.95Å; N458-I467 HydrophobicContact CB-CD1 4.5Å; N458-I467 WeakPolarHBondContact O-CD1 3.44Å
459	F	96.8	Very high	96.6	Very high	22 Å²	22	62.8 Å²	62.8	10%	0.096	33%	0.327	C	S	.	.	H	α-helix	trans	-59.8	-44.4	-174.2	-80	-83.7	0	0	0	114.8	A298 R449 F454 I457 R461 L462 E463	A298-F459 HydrophobicContact CB-CE1 3.82Å; A298-F459 HydrophobicContact CB-CZ 3.97Å; R449-F459 HydrophobicContact CB-CD1 4.31Å; R449-F459 HydrophobicContact CB-CD2 3.92Å; R449-F459 HydrophobicContact CB-CE1 3.92Å; R449-F459 HydrophobicContact CB-CE2 3.51Å; R449-F459 HydrophobicContact CB-CG 4.3Å; R449-F459 HydrophobicContact CB-CZ 3.49Å; R449-F459 VanDerWaalsContact CB-CZ 3.49Å; R449-F459 VanDerWaalsContact CD-CD1 3.46Å; R449-F459 HydrophobicContact CG-CD1 3.95Å; R449-F459 HydrophobicContact CG-CD2 4.46Å; R449-F459 HydrophobicContact CG-CE1 3.47Å; R449-F459 VanDerWaalsContact CG-CE1 3.47Å; R449-F459 HydrophobicContact CG-CE2 4.06Å; R449-F459 HydrophobicContact CG-CG 4.41Å; R449-F459 HydrophobicContact CG-CZ 3.53Å; R449-F459 WeakPolarHBondContact O-CE2 3.18Å; F454-F459 HydrophobicContact CB-CE2 3.76Å; F454-F459 HydrophobicContact CB-CZ 3.94Å; F454-F459 HydrophobicContact CD1-CZ 4.16Å; F454-F459 HydrophobicContact CD2-CZ 4.29Å; F454-F459 HydrophobicContact CG-CE2 4.22Å; F454-F459 AromaticContact CG-CZ 3.89Å; F454-F459 HydrophobicContact CG-CZ 3.89Å; I457-F459 HydrophobicContact CB-CE2 4.21Å; I457-F459 HydrophobicContact CG2-CD1 4.26Å; I457-F459 HydrophobicContact CG2-CD2 4.07Å; I457-F459 HydrophobicContact CG2-CE1 4.23Å; I457-F459 HydrophobicContact CG2-CE2 4.01Å; I457-F459 HydrophobicContact CG2-CG 4.21Å; I457-F459 HydrophobicContact CG2-CZ 4.1Å; I457-F459 PolarHBondContact O-N 3.33Å; F459-R461 VanDerWaalsContact C-N 3.27Å; F459-R461 PolarHBondContact O-N 2.86Å; F459-L462 HydrophobicContact CD1-CD2 4.11Å; F459-L462 HydrophobicContact CE1-CD2 4.21Å; F459-L462 WeakPolarHBondContact O-CB 3.41Å; F459-L462 PolarHBondContact O-N 3.27Å; F459-E463 WeakPolarHBondContact O-CG 3.46Å; F459-E463 PolarHBondContact O-N 3.42Å
460	P	95.3	Very high	96.6	Very high	73 Å²	73	62.3 Å²	62.3	47%	0.474	33%	0.332	S	S	.	.	H	α-helix	trans	-53.9	-42.4	173.7	-29.1	35.1	0	0	0	113.4	N458 A464	N458-P460 VanDerWaalsContact OD1-CD 3.3Å; N458-P460 WeakPolarHBondContact OD1-CD 3.31Å; P460-A464 WeakPolarHBondContact O-CB 3.49Å; P460-A464 PolarHBondContact O-N 2.97Å; P460-A464 VanDerWaalsContact O-N 3.13Å
461	R	96.2	Very high	96.6	Very high	40 Å²	40	56.5 Å²	56.5	15%	0.151	31%	0.307	C	S	.	.	H	α-helix	trans	-69.9	-36.2	175.4	-70	174.6	61.4	73.7	-4.5	112.4	L95 E97 N458 F459 A464 G465 L466 I467	L95-R461 WeakPolarHBondContact O-CG 3.48Å; L95-R461 PolarHBondContact O-NH1 3.21Å; E97-R461 VanDerWaalsContact CG-NH2 3.29Å; E97-R461 IonicContact OE1-CZ 2.63Å; E97-R461 IonicContact OE1-NE 2.73Å; E97-R461 IonicContact OE1-NH2 2.88Å; E97-R461 PolarHBondContact OE1-NH2 3.48Å; N458-R461 HydrophobicContact CB-CB 4.18Å; N458-R461 HydrophobicContact CB-CG 4.42Å; N458-R461 PolarHBondContact O-N 3.1Å; N458-R461 WeakPolarHBondContact OD1-CG 3.42Å; N458-R461 PolarHBondContact OD1-N 3.42Å; N458-R461 VanDerWaalsContact OD1-N 3.12Å; F459-R461 VanDerWaalsContact C-N 3.27Å; F459-R461 PolarHBondContact O-N 2.86Å; R461-A464 PolarHBondContact O-N 3.26Å; R461-G465 PolarHBondContact O-N 2.89Å; R461-L466 HydrophobicContact CB-CB 4.22Å; R461-L466 WeakPolarHBondContact O-CB 3.44Å; R461-L466 PolarHBondContact O-N 3.42Å; R461-I467 HydrophobicContact CB-CD1 4.4Å; R461-I467 HydrophobicContact CB-CG1 4.02Å
462	L	97.3	Very high	96.5	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-62.1	-47.7	174.9	-173	70.5	0	0	0	111.2	F250 F295 A298 Q299 I457 N458 F459 A464 G465 I467	F250-L462 HydrophobicContact CE1-CG 4.47Å; F250-L462 HydrophobicContact CZ-CG 4.26Å; F295-L462 HydrophobicContact CD2-CD1 4.25Å; F295-L462 HydrophobicContact CE2-CD1 3.67Å; F295-L462 HydrophobicContact CZ-CD1 4.17Å; A298-L462 HydrophobicContact CB-CD2 3.61Å; Q299-L462 HydrophobicContact CG-CD1 3.92Å; Q299-L462 HydrophobicContact CG-CD2 4.06Å; Q299-L462 HydrophobicContact CG-CG 4.21Å; I457-L462 HydrophobicContact CG2-CB 4.31Å; I457-L462 HydrophobicContact CG2-CD2 3.93Å; N458-L462 PolarHBondContact O-N 2.95Å; F459-L462 HydrophobicContact CD1-CD2 4.11Å; F459-L462 HydrophobicContact CE1-CD2 4.21Å; F459-L462 WeakPolarHBondContact O-CB 3.41Å; F459-L462 PolarHBondContact O-N 3.27Å; L462-A464 PolarHBondContact O-N 3.49Å; L462-G465 PolarHBondContact O-N 2.84Å; L462-I467 HydrophobicContact CB-CD1 3.86Å; L462-I467 HydrophobicContact CB-CG1 4.43Å; L462-I467 HydrophobicContact CD1-CB 4.23Å; L462-I467 HydrophobicContact CD1-CD1 4.18Å
463	E	96	Very high	96.3	Very high	82 Å²	82	54.6 Å²	54.6	38%	0.383	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-29.9	179.6	-66.7	178.7	171.4	0	0	112.1	F250 C302 R449 F459 G465	F250-E463 HydrophobicContact CE2-CB 4.36Å; F250-E463 HydrophobicContact CE2-CG 3.91Å; F250-E463 HydrophobicContact CZ-CG 4.27Å; C302-E463 PolarHBondContact SG-OE1 3.32Å; C302-E463 VanDerWaalsContact SG-OE1 3.34Å; R449-E463 IonicContact NH1-OE1 2.8Å; R449-E463 PolarHBondContact NH1-OE1 3.39Å; F459-E463 WeakPolarHBondContact O-CG 3.46Å; F459-E463 PolarHBondContact O-N 3.42Å; E463-G465 VanDerWaalsContact C-N 3.31Å
464	A	94.5	Very high	95.9	Very high	48 Å²	48	57.8 Å²	57.8	40%	0.397	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.4	171.6	0	0	0	0	0	114.5	L95 P460 R461 L462 L466	L95-A464 HydrophobicContact CD1-CB 3.9Å; L95-A464 HydrophobicContact CD2-CB 3.67Å; L95-A464 HydrophobicContact CG-CB 4.43Å; P460-A464 WeakPolarHBondContact O-CB 3.49Å; P460-A464 PolarHBondContact O-N 2.97Å; P460-A464 VanDerWaalsContact O-N 3.13Å; R461-A464 PolarHBondContact O-N 3.26Å; L462-A464 PolarHBondContact O-N 3.49Å; A464-L466 VanDerWaalsContact C-N 3.32Å; A464-L466 HydrophobicContact CB-CD1 3.96Å; A464-L466 HydrophobicContact CB-CG 3.93Å; A464-L466 PolarHBondContact O-N 2.87Å
465	G	95.3	Very high	95.4	Very high	52 Å²	52	60.9 Å²	60.9	54%	0.536	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	24.7	-178.3	0	0	0	0	0	114.4	R461 L462 E463	R461-G465 PolarHBondContact O-N 2.89Å; L462-G465 PolarHBondContact O-N 2.84Å; E463-G465 VanDerWaalsContact C-N 3.31Å
466	L	95.1	Very high	95	Very high	82 Å²	82	58.3 Å²	58.3	43%	0.429	34%	0.34	S	S	.	.			trans	-96.3	-0.5	-176.2	-61.9	176.8	0	0	0	113.9	L95 R461 A464	L95-L466 HydrophobicContact CB-CD1 3.88Å; L95-L466 HydrophobicContact CD1-CD1 4.13Å; L95-L466 HydrophobicContact CD2-CD1 4.49Å; L95-L466 HydrophobicContact CG-CD1 4.4Å; R461-L466 HydrophobicContact CB-CB 4.22Å; R461-L466 WeakPolarHBondContact O-CB 3.44Å; R461-L466 PolarHBondContact O-N 3.42Å; A464-L466 VanDerWaalsContact C-N 3.32Å; A464-L466 HydrophobicContact CB-CD1 3.96Å; A464-L466 HydrophobicContact CB-CG 3.93Å; A464-L466 PolarHBondContact O-N 2.87Å
467	I	95.3	Very high	94.5	Very high	37 Å²	37	56.3 Å²	56.3	19%	0.19	33%	0.327	C	S	.	.	S	Bend	trans	-96.5	123.7	174.7	-58.9	-171	0	0	0	108.8	F295 I457 N458 R461 L462 P469	F295-I467 HydrophobicContact CD2-CG2 4.22Å; F295-I467 HydrophobicContact CE2-CB 4.23Å; F295-I467 HydrophobicContact CE2-CG2 3.75Å; I457-I467 HydrophobicContact CG2-CD1 4.31Å; N458-I467 HydrophobicContact CB-CD1 4.5Å; N458-I467 WeakPolarHBondContact O-CD1 3.44Å; R461-I467 HydrophobicContact CB-CD1 4.4Å; R461-I467 HydrophobicContact CB-CG1 4.02Å; L462-I467 HydrophobicContact CB-CD1 3.86Å; L462-I467 HydrophobicContact CB-CG1 4.43Å; L462-I467 HydrophobicContact CD1-CB 4.23Å; L462-I467 HydrophobicContact CD1-CD1 4.18Å; I467-P469 WeakPolarHBondContact O-CD 3.42Å
468	E	95.4	Very high	94	Very high	183 Å²	183	56.4 Å²	56.4	86%	0.855	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-64.6	127.8	176.2	-68.2	-172.2	168	0	0	111.2
469	P	97.1	Very high	93.5	Very high	28 Å²	28	55.4 Å²	55.4	18%	0.182	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-64.9	138.5	176.7	-27.3	39.4	0	0	0	112	F295 L327 I467 F471	F295-P469 HydrophobicContact CE1-CB 3.81Å; F295-P469 HydrophobicContact CE1-CG 4.08Å; F295-P469 HydrophobicContact CZ-CB 3.91Å; F295-P469 HydrophobicContact CZ-CG 3.81Å; L327-P469 VanDerWaalsContact O-CG 3.28Å; L327-P469 WeakPolarHBondContact O-CG 3.19Å; I467-P469 WeakPolarHBondContact O-CD 3.42Å; P469-F471 PolarHBondContact O-N 2.76Å; P469-F471 VanDerWaalsContact O-N 3.12Å
470	P	97	Very high	92.7	Very high	57 Å²	57	55.4 Å²	55.4	37%	0.37	33%	0.326	S	S	.	.	S	Bend	trans	-70.2	-7.8	179.6	28.7	-35.4	0	0	0	113.6	R292 F295	R292-P470 HydrophobicContact CB-CG 4.4Å; R292-P470 HydrophobicContact CG-CB 4.22Å; R292-P470 HydrophobicContact CG-CG 3.97Å; F295-P470 HydrophobicContact CB-CG 3.75Å; F295-P470 VanDerWaalsContact CD1-CD 3.49Å; F295-P470 HydrophobicContact CD1-CG 4.18Å; F295-P470 HydrophobicContact CG-CG 3.95Å
471	F	96.3	Very high	92	Very high	44 Å²	44	58.3 Å²	58.3	19%	0.193	33%	0.331	C	S	.	.			trans	-148.2	127.5	177.2	171.5	-89.1	0	0	0	109.3	H279 R292 L324 G328 P469 P473	H279-F471 AromaticContact CE1-CE1 3.39Å; H279-F471 WeakPolarHBondContact CE1-CE1 3.36Å; H279-F471 AromaticContact CE1-CZ 3.82Å; H279-F471 AromaticContact ND1-CE1 3.75Å; R292-F471 HydrophobicContact CG-CB 4.16Å; L324-F471 HydrophobicContact CD2-CD1 4.31Å; G328-F471 WeakPolarHBondContact CA-O 3.3Å; P469-F471 PolarHBondContact O-N 2.76Å; P469-F471 VanDerWaalsContact O-N 3.12Å; F471-P473 HydrophobicContact CD1-CG 4.45Å; F471-P473 HydrophobicContact CE1-CB 4.27Å; F471-P473 HydrophobicContact CE1-CG 3.93Å
472	V	96.2	Very high	91.3	Very high	89 Å²	89	60.1 Å²	60.1	54%	0.539	34%	0.344	S	S	.	.			trans	-111.2	122.3	175.5	-176.7	0	0	0	0	108.4
473	P	94.3	Very high	90.3	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.026	36%	0.355	C	S	.	.			trans	-60.4	144.1	176.5	-22.4	32.7	0	0	0	112.5	L324 D325 F471 P475 Y479	L324-P473 HydrophobicContact CB-CG 4.46Å; L324-P473 HydrophobicContact CD2-CG 4.37Å; D325-P473 WeakPolarHBondContact O-CG 3.49Å; F471-P473 HydrophobicContact CD1-CG 4.45Å; F471-P473 HydrophobicContact CE1-CB 4.27Å; F471-P473 HydrophobicContact CE1-CG 3.93Å; P473-P475 WeakPolarHBondContact O-CD 3.49Å; P473-Y479 HydrophobicContact CB-CD2 4.18Å; P473-Y479 HydrophobicContact CB-CE2 3.59Å
474	D	91.9	Very high	89.2	Confident	73 Å²	73	61.7 Å²	61.7	39%	0.39	37%	0.37	S	S	.	.			trans	-71.3	121.1	176	-175	-29.6	0	0	0	110	S476 V477 Y479	D474-S476 VanDerWaalsContact CG-OG 3.27Å; D474-S476 PolarHBondContact O-N 2.99Å; D474-S476 VanDerWaalsContact O-N 3.15Å; D474-S476 WeakPolarHBondContact OD1-CB 3.42Å; D474-S476 PolarHBondContact OD1-N 3.11Å; D474-S476 PolarHBondContact OD1-OG 3.33Å; D474-S476 PolarHBondContact OD2-OG 3.49Å; D474-V477 HydrophobicContact CB-CB 4.2Å; D474-V477 HydrophobicContact CB-CG2 3.8Å; D474-V477 PolarHBondContact O-N 2.87Å; D474-V477 VanDerWaalsContact O-N 3.08Å; D474-Y479 PolarHBondContact N-OH 3.44Å
475	P	88.1	Confident	88.1	Confident	69 Å²	69	65.4 Å²	65.4	45%	0.448	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-14.3	-177.6	28.1	-36.1	0	0	0	114	R20 P473	R20-P475 PolarHBondContact NH1-O 2.94Å; P473-P475 WeakPolarHBondContact O-CD 3.49Å
476	S	87.1	Confident	87	Confident	68 Å²	68	63.8 Å²	63.8	48%	0.476	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-12.4	175.5	71.9	0	0	0	0	113.6	L17 D474	L17-S476 WeakPolarHBondContact CD1-O 3.36Å; D474-S476 VanDerWaalsContact CG-OG 3.27Å; D474-S476 PolarHBondContact O-N 2.99Å; D474-S476 VanDerWaalsContact O-N 3.15Å; D474-S476 WeakPolarHBondContact OD1-CB 3.42Å; D474-S476 PolarHBondContact OD1-N 3.11Å; D474-S476 PolarHBondContact OD1-OG 3.33Å; D474-S476 PolarHBondContact OD2-OG 3.49Å
477	V	86.4	Confident	85.9	Confident	56 Å²	56	66.6 Å²	66.6	34%	0.339	37%	0.374	S	S	.	.	S	Bend	trans	-96.5	146.2	179.9	178.7	0	0	0	0	109.5	R20 D474 Y479	R20-V477 PolarHBondContact NH1-O 3.15Å; D474-V477 HydrophobicContact CB-CB 4.2Å; D474-V477 HydrophobicContact CB-CG2 3.8Å; D474-V477 PolarHBondContact O-N 2.87Å; D474-V477 VanDerWaalsContact O-N 3.08Å; V477-Y479 HydrophobicContact CB-CD2 4.38Å; V477-Y479 HydrophobicContact CB-CE2 3.8Å; V477-Y479 HydrophobicContact CG1-CD1 4.25Å; V477-Y479 HydrophobicContact CG1-CD2 4.13Å; V477-Y479 HydrophobicContact CG1-CE1 4Å; V477-Y479 HydrophobicContact CG1-CE2 3.86Å; V477-Y479 HydrophobicContact CG1-CG 4.31Å
478	V	87	Confident	84.9	Confident	26 Å²	26	72 Å²	72	16%	0.158	40%	0.403	C	S	.	.			trans	-107.8	111.7	165.9	-167.4	0	0	0	0	109.6	Y16 L17 A480	Y16-V478 HydrophobicContact CD1-CG1 4.25Å; Y16-V478 HydrophobicContact CD1-CG2 3.87Å; Y16-V478 HydrophobicContact CE1-CB 4.5Å; Y16-V478 HydrophobicContact CE1-CG1 3.75Å; Y16-V478 HydrophobicContact CE1-CG2 3.95Å; L17-V478 HydrophobicContact CD1-CG2 4.36Å; L17-V478 HydrophobicContact CD2-CG2 3.89Å; L17-V478 HydrophobicContact CG-CG2 4.07Å; V478-A480 HydrophobicContact CG1-CB 4.19Å; V478-A480 PolarHBondContact O-N 3.43Å
479	Y	85.1	Confident	83.8	Confident	26 Å²	26	66.9 Å²	66.9	10%	0.102	38%	0.378	C	S	.	.			trans	-82.6	57.2	-179.2	-63.8	-87.1	0	0	0	111.4	G273 G274 F278 V283 P473 D474 V477	G273-Y479 WeakPolarHBondContact O-CB 3.47Å; G274-Y479 VanDerWaalsContact CA-O 3.29Å; G274-Y479 WeakPolarHBondContact CA-O 3.17Å; F278-Y479 HydrophobicContact CD1-CD1 4.04Å; F278-Y479 AromaticContact CE1-CD1 3.81Å; F278-Y479 HydrophobicContact CE1-CD1 3.81Å; V283-Y479 HydrophobicContact CG2-CE1 4.38Å; P473-Y479 HydrophobicContact CB-CD2 4.18Å; P473-Y479 HydrophobicContact CB-CE2 3.59Å; D474-Y479 PolarHBondContact N-OH 3.44Å; V477-Y479 HydrophobicContact CB-CD2 4.38Å; V477-Y479 HydrophobicContact CB-CE2 3.8Å; V477-Y479 HydrophobicContact CG1-CD1 4.25Å; V477-Y479 HydrophobicContact CG1-CD2 4.13Å; V477-Y479 HydrophobicContact CG1-CE1 4Å; V477-Y479 HydrophobicContact CG1-CE2 3.86Å; V477-Y479 HydrophobicContact CG1-CG 4.31Å
480	A	80.7	Confident	82.9	Confident	23 Å²	23	70.1 Å²	70.1	19%	0.19	40%	0.402	C	S	.	.	S	Bend	trans	-145.1	156.8	177.1	0	0	0	0	0	110	V478	V478-A480 HydrophobicContact CG1-CB 4.19Å; V478-A480 PolarHBondContact O-N 3.43Å
481	K	79.3	Confident	82.1	Confident	133 Å²	133	73.7 Å²	73.7	58%	0.578	41%	0.413	S	S	*	.			trans	-59.2	151.2	175.1	-63.9	-174.5	-179.8	-177.2	0	111.6	R195 I486	R195-K481 PolarHBondContact NH2-O 2.92Å; K481-I486 HydrophobicContact CB-CG1 4.42Å
482	D	81	Confident	81.6	Confident	79 Å²	79	72.3 Å²	72.3	42%	0.422	41%	0.408	S	S	.	.			trans	-62.2	143.3	173.3	-75.2	-19.5	0	0	0	110.8	N9 G484 E485	N9-D482 PolarHBondContact ND2-OD1 2.92Å; D482-G484 PolarHBondContact O-N 3.47Å; D482-G484 VanDerWaalsContact O-N 3.15Å; D482-E485 HydrophobicContact CB-CG 4.34Å; D482-E485 WeakPolarHBondContact O-CB 2.96Å; D482-E485 PolarHBondContact O-N 3.48Å
483	I	77.9	Confident	81.2	Confident	50 Å²	50	77.1 Å²	77.1	26%	0.256	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-57	-35.9	-175.5	-62.9	175.1	0	0	0	111.5	N9 A12 R195 E485 I486	N9-I483 PolarHBondContact OD1-N 3.3Å; N9-I483 VanDerWaalsContact OD1-N 3.17Å; A12-I483 HydrophobicContact CB-CD1 3.35Å; R195-I483 HydrophobicContact CG-CD1 4.29Å; I483-E485 PolarHBondContact O-N 3.33Å; I483-I486 WeakPolarHBondContact O-CB 3.19Å; I483-I486 PolarHBondContact O-N 3.13Å; I483-I486 VanDerWaalsContact O-N 3.13Å
484	G	71.2	Confident	80.9	Confident	68 Å²	68	81 Å²	81	70%	0.701	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-66.9	-19.8	177.4	0	0	0	0	0	114.9	D482 I486	D482-G484 PolarHBondContact O-N 3.47Å; D482-G484 VanDerWaalsContact O-N 3.15Å; G484-I486 VanDerWaalsContact C-N 3.33Å
485	E	72.8	Confident	80.9	Confident	126 Å²	126	78.8 Å²	78.8	59%	0.589	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-89.4	-1.6	175.3	-60.5	-170.8	165.4	0	0	112.9	D482 I483 D487	D482-E485 HydrophobicContact CB-CG 4.34Å; D482-E485 WeakPolarHBondContact O-CB 2.96Å; D482-E485 PolarHBondContact O-N 3.48Å; I483-E485 PolarHBondContact O-N 3.33Å; E485-D487 PolarHBondContact O-N 3.46Å
486	I	71.7	Confident	81.1	Confident	18 Å²	18	83.7 Å²	83.7	9%	0.092	46%	0.463	C	S	.	.	S	Bend	trans	-93.9	97	-177.8	-61.1	177.6	0	0	0	108.4	V196 K199 K481 I483 G484 D488	V196-I486 HydrophobicContact CG1-CD1 4.36Å; K199-I486 HydrophobicContact CB-CG2 3.86Å; K199-I486 HydrophobicContact CD-CG2 3.33Å; K199-I486 HydrophobicContact CG-CG2 3.39Å; K199-I486 PolarHBondContact NZ-O 3.41Å; K481-I486 HydrophobicContact CB-CG1 4.42Å; I483-I486 WeakPolarHBondContact O-CB 3.19Å; I483-I486 PolarHBondContact O-N 3.13Å; I483-I486 VanDerWaalsContact O-N 3.13Å; G484-I486 VanDerWaalsContact C-N 3.33Å; I486-D488 PolarHBondContact O-N 3.34Å
487	D	72.3	Confident	81.6	Confident	141 Å²	141	83.7 Å²	83.7	75%	0.754	46%	0.455	S	S	*	.			trans	-44.1	131	-175.6	-71	-34.3	0	0	0	114.4	K199 E485	K199-D487 WeakPolarHBondContact CD-O 3.38Å; K199-D487 WeakPolarHBondContact CE-O 3.31Å; K199-D487 VanDerWaalsContact NZ-C 3.31Å; K199-D487 PolarHBondContact NZ-O 3.41Å; E485-D487 PolarHBondContact O-N 3.46Å
488	D	73.1	Confident	82	Confident	150 Å²	150	84.6 Å²	84.6	80%	0.802	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-73.3	146.4	176.7	-79.1	-27.2	0	0	0	114.1	K199 I486	K199-D488 IonicContact NZ-OD1 2.74Å; K199-D488 PolarHBondContact NZ-OD1 2.88Å; I486-D488 PolarHBondContact O-N 3.34Å
489	F	73.8	Confident	82.4	Confident	77 Å²	77	89 Å²	89	34%	0.338	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-85.3	129.9	177.1	-73.2	-44.6	0	0	0	110.8	K199 G200 G203 R226	K199-F489 HydrophobicContact CB-CE2 4.07Å; K199-F489 HydrophobicContact CB-CZ 3.75Å; K199-F489 HydrophobicContact CD-CD2 4.07Å; K199-F489 HydrophobicContact CD-CE2 3.63Å; K199-F489 HydrophobicContact CD-CZ 3.94Å; K199-F489 HydrophobicContact CG-CE2 3.75Å; K199-F489 HydrophobicContact CG-CZ 3.97Å; G200-F489 WeakPolarHBondContact O-CZ 3.31Å; G203-F489 VanDerWaalsContact O-CE2 3.29Å; G203-F489 WeakPolarHBondContact O-CE2 3.49Å; G203-F489 VanDerWaalsContact O-CZ 3.23Å; G203-F489 WeakPolarHBondContact O-CZ 3.33Å; R226-F489 VanDerWaalsContact NH1-CE1 3.31Å
490	S	77.9	Confident	82.9	Confident	96 Å²	96	95.9 Å²	95.9	67%	0.671	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-63.7	137.5	166	54.5	0	0	0	0	111.3	R226	R226-S490 PolarHBondContact NH2-O 2.86Å
491	E	80.6	Confident	83.6	Confident	132 Å²	132	95.4 Å²	95.4	62%	0.617	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-64.8	133.6	179.8	-164.1	-169.7	179	0	0	110.9	R493	E491-R493 HydrophobicContact CG-CG 4.41Å; E491-R493 IonicContact OE2-CZ 2.78Å; E491-R493 VanDerWaalsContact OE2-CZ 3.28Å; E491-R493 IonicContact OE2-NE 2.75Å; E491-R493 PolarHBondContact OE2-NE 3.1Å; E491-R493 IonicContact OE2-NH2 2.75Å; E491-R493 PolarHBondContact OE2-NH2 3.35Å
492	V	85.1	Confident	84.4	Confident	14 Å²	14	94 Å²	94	9%	0.085	50%	0.499	C	S	.	.			trans	-94.5	108.5	176.6	-176.3	0	0	0	0	109.4	K225 R226 K229 V495	K225-V492 HydrophobicContact CB-CB 4.08Å; K225-V492 HydrophobicContact CB-CG1 3.95Å; K225-V492 VanDerWaalsContact CD-O 3.29Å; K225-V492 WeakPolarHBondContact CD-O 3.49Å; R226-V492 HydrophobicContact CB-CG2 4.19Å; K229-V492 HydrophobicContact CB-CG1 4.36Å; K229-V492 HydrophobicContact CD-CG1 3.74Å; V492-V495 HydrophobicContact CG1-CG2 3.69Å
493	R	87.5	Confident	85.1	Confident	191 Å²	191	94.9 Å²	94.9	72%	0.721	50%	0.5	S	S	*	.			trans	-103.2	160.5	177.4	-59.6	-176	-174.6	175.3	3.4	111.7	E491 V495	E491-R493 HydrophobicContact CG-CG 4.41Å; E491-R493 IonicContact OE2-CZ 2.78Å; E491-R493 VanDerWaalsContact OE2-CZ 3.28Å; E491-R493 IonicContact OE2-NE 2.75Å; E491-R493 PolarHBondContact OE2-NE 3.1Å; E491-R493 IonicContact OE2-NH2 2.75Å; E491-R493 PolarHBondContact OE2-NH2 3.35Å; R493-V495 PolarHBondContact O-N 3.38Å
494	G	88.5	Confident	85.9	Confident	84 Å²	84	93.7 Å²	93.7	87%	0.866	49%	0.494	S	S	*	.	S	Bend	trans	73.6	19.5	173.5	0	0	0	0	0	115.6
495	V	91.1	Very high	87.1	Confident	28 Å²	28	91 Å²	91	17%	0.17	46%	0.462	C	S	.	.			trans	-104.8	118	174.9	179.9	0	0	0	0	109	K225 K228 K229 V492 R493 F497	K225-V495 HydrophobicContact CB-CB 4.05Å; K225-V495 HydrophobicContact CB-CG1 4.22Å; K225-V495 HydrophobicContact CB-CG2 4.37Å; K225-V495 HydrophobicContact CD-CB 4.37Å; K225-V495 HydrophobicContact CG-CB 4.06Å; K225-V495 HydrophobicContact CG-CG1 4.27Å; K228-V495 HydrophobicContact CB-CG1 4.16Å; K228-V495 HydrophobicContact CD-CG1 3.79Å; K228-V495 HydrophobicContact CG-CG1 4.12Å; K229-V495 HydrophobicContact CB-CG2 4.49Å; V492-V495 HydrophobicContact CG1-CG2 3.69Å; R493-V495 PolarHBondContact O-N 3.38Å; V495-F497 HydrophobicContact CG1-CE1 4.27Å
496	E	93.5	Very high	88.1	Confident	172 Å²	172	91.4 Å²	91.4	80%	0.804	46%	0.462	S	S	*	.			trans	-106	148.7	172.4	-64.7	-172.7	171	0	0	110.5	K228	K228-E496 PolarHBondContact NZ-O 3.01Å
497	F	96.1	Very high	89.2	Confident	68 Å²	68	94.7 Å²	94.7	30%	0.298	48%	0.48	S	S	.	.			trans	-100.3	128.9	-179.6	-59.2	-55.5	0	0	0	111.2	K224 K225 K228 V495 D501 F505	K224-F497 HydrophobicContact CB-CE1 3.95Å; K224-F497 HydrophobicContact CB-CE2 4.23Å; K224-F497 HydrophobicContact CB-CZ 3.44Å; K224-F497 VanDerWaalsContact CB-CZ 3.44Å; K225-F497 HydrophobicContact CG-CE1 4.44Å; K225-F497 HydrophobicContact CG-CE2 4.38Å; K225-F497 HydrophobicContact CG-CZ 3.7Å; K228-F497 HydrophobicContact CD-CD1 4.13Å; K228-F497 HydrophobicContact CD-CE1 4.39Å; V495-F497 HydrophobicContact CG1-CE1 4.27Å; F497-D501 VanDerWaalsContact CA-OD2 3.25Å; F497-D501 WeakPolarHBondContact CA-OD2 3.29Å; F497-D501 HydrophobicContact CB-CB 4.06Å; F497-D501 HydrophobicContact CD1-CB 4.12Å; F497-D501 HydrophobicContact CG-CB 4.47Å; F497-F505 HydrophobicContact CB-CE2 4.5Å; F497-F505 HydrophobicContact CD1-CE2 4.07Å; F497-F505 AromaticContact CD1-CZ 3.77Å; F497-F505 HydrophobicContact CD1-CZ 3.77Å; F497-F505 HydrophobicContact CD2-CE2 4.34Å; F497-F505 HydrophobicContact CE1-CE2 4.4Å; F497-F505 AromaticContact CE1-CZ 3.83Å; F497-F505 HydrophobicContact CE1-CZ 3.83Å; F497-F505 HydrophobicContact CG-CE2 4.05Å; F497-F505 HydrophobicContact CG-CZ 4.23Å; F497-F505 HydrophobicContact CZ-CZ 4.32Å
498	D	95.4	Very high	90.4	Very high	74 Å²	74	88 Å²	88	40%	0.396	44%	0.444	S	S	.	.			trans	-93.3	-176.6	172.9	65.6	40.9	0	0	0	111.2	K228 K500 D501 K502	K228-D498 IonicContact NZ-OD2 2.74Å; D498-K500 VanDerWaalsContact C-N 3.31Å; D498-K500 PolarHBondContact O-N 2.99Å; D498-K500 WeakPolarHBondContact OD1-CA 3.4Å; D498-K500 VanDerWaalsContact OD1-CB 3.27Å; D498-K500 WeakPolarHBondContact OD1-CB 3.47Å; D498-K500 PolarHBondContact OD1-N 3.46Å; D498-D501 PolarHBondContact N-OD2 3.36Å; D498-D501 PolarHBondContact O-N 2.78Å; D498-D501 PolarHBondContact OD1-N 3.45Å; D498-K502 WeakPolarHBondContact O-CG 3.39Å; D498-K502 PolarHBondContact O-N 2.64Å
499	D	96.4	Very high	91.5	Very high	118 Å²	118	82.4 Å²	82.4	63%	0.631	42%	0.419	S	S	*	.	H	α-helix	trans	-72	-24	-178.2	-65.3	-29.3	0	0	0	113.5	K502 Q503	D499-K502 PolarHBondContact O-N 2.8Å; D499-K502 IonicContact OD1-NZ 3.27Å; D499-K502 PolarHBondContact OD1-NZ 2.97Å; D499-Q503 WeakPolarHBondContact O-CB 3.33Å; D499-Q503 PolarHBondContact O-N 3.06Å
500	K	95.6	Very high	92.6	Very high	172 Å²	172	82.2 Å²	82.2	75%	0.748	42%	0.424	S	S	*	.	H	α-helix	trans	-68.9	-40.5	173.6	-62.6	179.9	179.2	175.3	0	110.2	D498 Q503 F504	D498-K500 VanDerWaalsContact C-N 3.31Å; D498-K500 PolarHBondContact O-N 2.99Å; D498-K500 WeakPolarHBondContact OD1-CA 3.4Å; D498-K500 VanDerWaalsContact OD1-CB 3.27Å; D498-K500 WeakPolarHBondContact OD1-CB 3.47Å; D498-K500 PolarHBondContact OD1-N 3.46Å; K500-Q503 PolarHBondContact O-N 3.19Å; K500-F504 WeakPolarHBondContact O-CB 3.27Å; K500-F504 PolarHBondContact O-N 2.84Å
501	D	95.6	Very high	93.5	Very high	13 Å²	13	78.1 Å²	78.1	7%	0.07	40%	0.398	C	S	.	.	H	α-helix	trans	-61	-47.4	174.6	-58.3	-51.9	0	0	0	111.1	K228 F497 D498 Q503 F504 F505	K228-D501 WeakPolarHBondContact CE-OD2 3.32Å; K228-D501 IonicContact NZ-OD1 3.56Å; K228-D501 IonicContact NZ-OD2 2.72Å; K228-D501 PolarHBondContact NZ-OD2 3.17Å; F497-D501 VanDerWaalsContact CA-OD2 3.25Å; F497-D501 WeakPolarHBondContact CA-OD2 3.29Å; F497-D501 HydrophobicContact CB-CB 4.06Å; F497-D501 HydrophobicContact CD1-CB 4.12Å; F497-D501 HydrophobicContact CG-CB 4.47Å; D498-D501 PolarHBondContact N-OD2 3.36Å; D498-D501 PolarHBondContact O-N 2.78Å; D498-D501 PolarHBondContact OD1-N 3.45Å; D501-Q503 VanDerWaalsContact C-N 3.31Å; D501-Q503 PolarHBondContact O-N 2.92Å; D501-F504 WeakPolarHBondContact O-CB 3.49Å; D501-F504 PolarHBondContact O-N 3.07Å; D501-F504 VanDerWaalsContact O-N 3.16Å; D501-F505 HydrophobicContact CB-CE2 3.96Å; D501-F505 HydrophobicContact CB-CZ 3.85Å; D501-F505 WeakPolarHBondContact O-CD1 3.23Å; D501-F505 VanDerWaalsContact O-CD2 3.27Å; D501-F505 WeakPolarHBondContact O-CD2 3.31Å; D501-F505 WeakPolarHBondContact O-CG 2.94Å; D501-F505 PolarHBondContact O-N 2.78Å
502	K	95.2	Very high	94.3	Very high	102 Å²	102	72.7 Å²	72.7	44%	0.443	38%	0.375	S	S	.	.	H	α-helix	trans	-60.9	-40.3	178.3	-65.9	172.6	-160.6	155.5	0	111.9	D498 D499 F505 K506	D498-K502 WeakPolarHBondContact O-CG 3.39Å; D498-K502 PolarHBondContact O-N 2.64Å; D499-K502 PolarHBondContact O-N 2.8Å; D499-K502 IonicContact OD1-NZ 3.27Å; D499-K502 PolarHBondContact OD1-NZ 2.97Å; K502-F505 PolarHBondContact O-N 3.41Å; K502-K506 WeakPolarHBondContact O-CG 3.15Å; K502-K506 PolarHBondContact O-N 3.48Å; K502-K506 VanDerWaalsContact O-N 3.1Å
503	Q	95.6	Very high	94.9	Very high	98 Å²	98	72.6 Å²	72.6	46%	0.458	38%	0.375	S	S	.	.	H	α-helix	trans	-66.5	-41	175.9	-172.7	60.4	45.3	0	0	111.5	D499 K500 D501 K506 N507	D499-Q503 WeakPolarHBondContact O-CB 3.33Å; D499-Q503 PolarHBondContact O-N 3.06Å; K500-Q503 PolarHBondContact O-N 3.19Å; D501-Q503 VanDerWaalsContact C-N 3.31Å; D501-Q503 PolarHBondContact O-N 2.92Å; Q503-K506 PolarHBondContact O-N 3.05Å; Q503-N507 PolarHBondContact NE2-OD1 3.18Å; Q503-N507 PolarHBondContact O-N 3.05Å; Q503-N507 PolarHBondContact O-OD1 3.3Å
504	F	95.9	Very high	95.3	Very high	26 Å²	26	65.9 Å²	65.9	11%	0.114	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-45.6	173.9	160.2	-110.8	0	0	0	111.5	L227 E233 L237 L264 K500 D501 K506 N507 F508	L227-F504 HydrophobicContact CD2-CE1 3.74Å; L227-F504 HydrophobicContact CD2-CZ 3.85Å; E233-F504 HydrophobicContact CB-CD1 4.23Å; E233-F504 HydrophobicContact CB-CD2 4.36Å; E233-F504 HydrophobicContact CB-CE1 3.88Å; E233-F504 HydrophobicContact CB-CE2 4.03Å; E233-F504 HydrophobicContact CB-CG 4.46Å; E233-F504 HydrophobicContact CB-CZ 3.79Å; E233-F504 HydrophobicContact CG-CD1 4.09Å; E233-F504 HydrophobicContact CG-CE1 3.83Å; E233-F504 HydrophobicContact CG-CZ 4.24Å; E233-F504 WeakPolarHBondContact O-CE2 3.37Å; L237-F504 HydrophobicContact CB-CE2 4.11Å; L264-F504 HydrophobicContact CD1-CE1 3.53Å; L264-F504 HydrophobicContact CD1-CZ 3.61Å; K500-F504 WeakPolarHBondContact O-CB 3.27Å; K500-F504 PolarHBondContact O-N 2.84Å; D501-F504 WeakPolarHBondContact O-CB 3.49Å; D501-F504 PolarHBondContact O-N 3.07Å; D501-F504 VanDerWaalsContact O-N 3.16Å; F504-K506 VanDerWaalsContact C-N 3.34Å; F504-K506 PolarHBondContact O-N 2.87Å; F504-N507 PolarHBondContact O-N 3.37Å; F504-F508 HydrophobicContact CZ-CD2 4.46Å; F504-F508 WeakPolarHBondContact O-CB 3.49Å; F504-F508 PolarHBondContact O-N 3.37Å
505	F	96.4	Very high	95.6	Very high	10 Å²	10	63.9 Å²	63.9	4%	0.044	33%	0.325	C	S	.	.	H	α-helix	trans	-62.7	-40.5	178.5	-52	-33.2	0	0	0	112.5	K224 E259 L264 F497 D501 K502 F508 A509	K224-F505 HydrophobicContact CB-CE1 4.25Å; K224-F505 HydrophobicContact CB-CZ 4.02Å; K224-F505 HydrophobicContact CD-CD1 4.38Å; K224-F505 HydrophobicContact CD-CD2 4.18Å; K224-F505 HydrophobicContact CD-CE1 4.09Å; K224-F505 HydrophobicContact CD-CE2 3.89Å; K224-F505 HydrophobicContact CD-CG 4.43Å; K224-F505 HydrophobicContact CD-CZ 3.85Å; K224-F505 HydrophobicContact CG-CD1 4.42Å; K224-F505 HydrophobicContact CG-CE1 3.9Å; K224-F505 HydrophobicContact CG-CZ 3.96Å; E259-F505 WeakPolarHBondContact OE2-CB 3.47Å; L264-F505 HydrophobicContact CD1-CD1 4.09Å; L264-F505 HydrophobicContact CD2-CB 4.04Å; L264-F505 HydrophobicContact CD2-CD1 3.82Å; L264-F505 HydrophobicContact CD2-CG 4.2Å; L264-F505 HydrophobicContact CG-CD1 4.26Å; F497-F505 HydrophobicContact CB-CE2 4.5Å; F497-F505 HydrophobicContact CD1-CE2 4.07Å; F497-F505 AromaticContact CD1-CZ 3.77Å; F497-F505 HydrophobicContact CD1-CZ 3.77Å; F497-F505 HydrophobicContact CD2-CE2 4.34Å; F497-F505 HydrophobicContact CE1-CE2 4.4Å; F497-F505 AromaticContact CE1-CZ 3.83Å; F497-F505 HydrophobicContact CE1-CZ 3.83Å; F497-F505 HydrophobicContact CG-CE2 4.05Å; F497-F505 HydrophobicContact CG-CZ 4.23Å; F497-F505 HydrophobicContact CZ-CZ 4.32Å; D501-F505 HydrophobicContact CB-CE2 3.96Å; D501-F505 HydrophobicContact CB-CZ 3.85Å; D501-F505 WeakPolarHBondContact O-CD1 3.23Å; D501-F505 VanDerWaalsContact O-CD2 3.27Å; D501-F505 WeakPolarHBondContact O-CD2 3.31Å; D501-F505 WeakPolarHBondContact O-CG 2.94Å; D501-F505 PolarHBondContact O-N 2.78Å; K502-F505 PolarHBondContact O-N 3.41Å; F505-F508 WeakPolarHBondContact O-CB 3.47Å; F505-F508 PolarHBondContact O-N 3.13Å; F505-A509 WeakPolarHBondContact O-CB 3.37Å; F505-A509 PolarHBondContact O-N 3.34Å
506	K	93.6	Very high	95.9	Very high	135 Å²	135	63 Å²	63	59%	0.587	32%	0.321	S	S	*	.	H	α-helix	trans	-62.8	-42.2	174.1	-72.1	177.2	-177.8	-178.6	0	112.5	K502 Q503 F504 F508 A509	K502-K506 WeakPolarHBondContact O-CG 3.15Å; K502-K506 PolarHBondContact O-N 3.48Å; K502-K506 VanDerWaalsContact O-N 3.1Å; Q503-K506 PolarHBondContact O-N 3.05Å; F504-K506 VanDerWaalsContact C-N 3.34Å; F504-K506 PolarHBondContact O-N 2.87Å; K506-F508 VanDerWaalsContact C-N 3.27Å; K506-F508 PolarHBondContact O-N 3.44Å; K506-A509 PolarHBondContact O-N 2.56Å
507	N	94.6	Very high	96	Very high	87 Å²	87	55.3 Å²	55.3	47%	0.465	28%	0.284	S	S	.	.	H	α-helix	trans	-67.4	-30.5	178	-67.7	-5.2	0	0	0	112.2	Q503 F504	Q503-N507 PolarHBondContact NE2-OD1 3.18Å; Q503-N507 PolarHBondContact O-N 3.05Å; Q503-N507 PolarHBondContact O-OD1 3.3Å; F504-N507 PolarHBondContact O-N 3.37Å
508	F	96.8	Very high	96.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-71.1	-41	176.1	-173.9	-82	0	0	0	112	L222 A236 K240 A257 L264 L266 F504 F505 K506 T510	L222-F508 HydrophobicContact CD1-CZ 4.34Å; A236-F508 HydrophobicContact CB-CE2 4.24Å; K240-F508 HydrophobicContact CB-CD2 4.35Å; K240-F508 HydrophobicContact CB-CE2 3.89Å; K240-F508 HydrophobicContact CB-CZ 4.37Å; K240-F508 VanDerWaalsContact CE-O 3.3Å; K240-F508 WeakPolarHBondContact CE-O 3.35Å; K240-F508 HydrophobicContact CG-CD2 4.44Å; K240-F508 HydrophobicContact CG-CE2 4.21Å; K240-F508 HydrophobicContact CG-CZ 4.42Å; A257-F508 HydrophobicContact CB-CE1 4.47Å; L264-F508 HydrophobicContact CB-CD1 3.9Å; L264-F508 HydrophobicContact CB-CE1 3.63Å; L264-F508 HydrophobicContact CB-CE2 4.48Å; L264-F508 HydrophobicContact CB-CG 4.44Å; L264-F508 HydrophobicContact CB-CZ 3.91Å; L264-F508 HydrophobicContact CD1-CB 4.37Å; L264-F508 HydrophobicContact CD1-CD1 4.2Å; L264-F508 HydrophobicContact CD1-CD2 3.97Å; L264-F508 HydrophobicContact CD1-CE2 4.26Å; L264-F508 HydrophobicContact CD1-CG 3.92Å; L264-F508 HydrophobicContact CD1-CZ 4.49Å; L264-F508 HydrophobicContact CD2-CB 4.37Å; L264-F508 HydrophobicContact CD2-CD1 3.96Å; L264-F508 HydrophobicContact CD2-CG 4.23Å; L264-F508 HydrophobicContact CG-CD1 4.24Å; L264-F508 HydrophobicContact CG-CE1 4.45Å; L264-F508 HydrophobicContact CG-CG 4.43Å; L266-F508 HydrophobicContact CD1-CZ 4.25Å; L266-F508 HydrophobicContact CD2-CE1 3.82Å; L266-F508 HydrophobicContact CD2-CE2 4.26Å; L266-F508 HydrophobicContact CD2-CZ 3.41Å; L266-F508 VanDerWaalsContact CD2-CZ 3.41Å; L266-F508 HydrophobicContact CG-CE1 4.31Å; L266-F508 HydrophobicContact CG-CZ 3.7Å; F504-F508 HydrophobicContact CZ-CD2 4.46Å; F504-F508 WeakPolarHBondContact O-CB 3.49Å; F504-F508 PolarHBondContact O-N 3.37Å; F505-F508 WeakPolarHBondContact O-CB 3.47Å; F505-F508 PolarHBondContact O-N 3.13Å; K506-F508 VanDerWaalsContact C-N 3.27Å; K506-F508 PolarHBondContact O-N 3.44Å; F508-T510 PolarHBondContact O-N 3.04Å
509	A	96.4	Very high	96.2	Very high	34 Å²	34	52.2 Å²	52.2	28%	0.281	27%	0.268	S	S	.	.			trans	-81.3	72.6	-174	0	0	0	0	0	113	A257 E259 F505 K506 G511	A257-A509 CarbonylContact O-C 3.48Å; A257-A509 WeakPolarHBondContact O-CA 3.39Å; E259-A509 HydrophobicContact CB-CB 4.33Å; E259-A509 HydrophobicContact CG-CB 4.15Å; F505-A509 WeakPolarHBondContact O-CB 3.37Å; F505-A509 PolarHBondContact O-N 3.34Å; K506-A509 PolarHBondContact O-N 2.56Å; A509-G511 VanDerWaalsContact C-N 3.32Å
510	T	96.5	Very high	96.1	Very high	72 Å²	72	46.6 Å²	46.6	44%	0.442	24%	0.238	S	C	.	.			trans	-80	-6.3	179.3	41.5	0	0	0	0	115.2	K240 E244 A257 F508	K240-T510 WeakPolarHBondContact CE-OG1 3.15Å; K240-T510 PolarHBondContact NZ-OG1 2.98Å; E244-T510 WeakPolarHBondContact OE1-CB 3.47Å; E244-T510 PolarHBondContact OE1-OG1 3.5Å; A257-T510 PolarHBondContact O-N 3.05Å; F508-T510 PolarHBondContact O-N 3.04Å
511	G	97.1	Very high	96.2	Very high	11 Å²	11	38.5 Å²	38.5	11%	0.113	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.9	-138.8	179.7	0	0	0	0	0	112.1	Y256 A257 A509	Y256-G511 CarbonylContact C-O 3.53Å; Y256-G511 VanDerWaalsContact CA-O 3.26Å; Y256-G511 WeakPolarHBondContact CA-O 3.5Å; A257-G511 PolarHBondContact N-O 2.86Å; A257-G511 WeakPolarHBondContact O-CA 3.38Å; A257-G511 PolarHBondContact O-N 3.28Å; A509-G511 VanDerWaalsContact C-N 3.32Å
512	A	97.4	Very high	96.2	Very high	17 Å²	17	39.8 Å²	39.8	14%	0.14	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139.3	179.5	0	0	0	0	0	111.9	E182 Y256 W517	E182-A512 HydrophobicContact CG-CB 4.26Å; Y256-A512 HydrophobicContact CD1-CB 3.94Å; Y256-A512 HydrophobicContact CE1-CB 3.93Å; A512-W517 HydrophobicContact CB-CB 4.08Å; A512-W517 HydrophobicContact CB-CG 3.84Å
513	V	97.4	Very high	96.2	Very high	13 Å²	13	40.7 Å²	40.7	8%	0.079	22%	0.215	C	C	.	.			trans	-91.7	121.5	172.7	-179.5	0	0	0	0	108.4	E244 L254 A255 I515 W517	E244-V513 HydrophobicContact CG-CG2 4.11Å; L254-V513 HydrophobicContact CB-CG2 4.33Å; L254-V513 HydrophobicContact CD2-CG2 3.86Å; L254-V513 HydrophobicContact CG-CG2 3.82Å; L254-V513 WeakPolarHBondContact O-CB 3.49Å; L254-V513 WeakPolarHBondContact O-CG1 3.46Å; L254-V513 WeakPolarHBondContact O-CG2 3.5Å; A255-V513 PolarHBondContact O-N 3.13Å; V513-I515 PolarHBondContact O-N 2.97Å; V513-W517 WeakPolarHBondContact O-CB 3.31Å; V513-W517 PolarHBondContact O-N 3.47Å
514	P	95.6	Very high	96.1	Very high	49 Å²	49	37.4 Å²	37.4	32%	0.318	20%	0.202	S	C	.	.	H	α-helix	trans	-54.5	-51	-162.4	-30.5	34.7	0	0	0	116.1	E182 Q518	E182-P514 WeakPolarHBondContact OE1-CG 3.43Å; E182-P514 WeakPolarHBondContact OE2-CA 3.34Å; P514-Q518 VanDerWaalsContact O-CB 3.32Å; P514-Q518 WeakPolarHBondContact O-CB 3.29Å; P514-Q518 WeakPolarHBondContact O-CG 3.29Å; P514-Q518 PolarHBondContact O-N 3.05Å
515	I	95.9	Very high	96	Very high	42 Å²	42	37.3 Å²	37.3	22%	0.215	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-56.4	-173.5	-62.5	175	0	0	0	110.3	Q62 P64 V513 W517 Q518 E519	Q62-I515 HydrophobicContact CB-CD1 4.44Å; P64-I515 HydrophobicContact CG-CG2 4.26Å; V513-I515 PolarHBondContact O-N 2.97Å; I515-W517 VanDerWaalsContact C-N 3.29Å; I515-W517 PolarHBondContact O-N 3.17Å; I515-Q518 PolarHBondContact O-N 3.31Å; I515-Q518 VanDerWaalsContact O-N 3.14Å; I515-E519 WeakPolarHBondContact O-CG 3.11Å; I515-E519 PolarHBondContact O-N 2.97Å
516	A	96.3	Very high	95.8	Very high	11 Å²	11	37 Å²	37	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-34.4	-178.5	0	0	0	0	0	113	L254 A255 E520	L254-A516 WeakPolarHBondContact O-CB 3.25Å; A255-A516 HydrophobicContact CB-CB 4.05Å; A516-E520 PolarHBondContact O-N 3.41Å; A516-E520 VanDerWaalsContact O-N 3.09Å
517	W	97.4	Very high	95.9	Very high	10 Å²	10	30.8 Å²	30.8	4%	0.038	18%	0.18	C	C	.	.	H	α-helix	trans	-67.1	-44.7	173.8	-177.8	88.8	0	0	0	111.6	I65 W178 F181 E182 Y256 A512 V513 I515 E519 E520 I521	I65-W517 HydrophobicContact CD1-CZ3 4.17Å; W178-W517 AromaticContact CE3-CH2 3.95Å; W178-W517 HydrophobicContact CE3-CH2 3.95Å; W178-W517 HydrophobicContact CE3-CZ3 4.36Å; W178-W517 HydrophobicContact CZ3-CH2 4.36Å; F181-W517 HydrophobicContact CB-CH2 4.3Å; F181-W517 AromaticContact CD1-CH2 3.6Å; F181-W517 HydrophobicContact CD1-CH2 3.6Å; F181-W517 AromaticContact CD1-CZ2 3.5Å; F181-W517 HydrophobicContact CD1-CZ2 3.5Å; F181-W517 HydrophobicContact CE1-CH2 4.43Å; F181-W517 AromaticContact CE1-CZ2 3.99Å; F181-W517 HydrophobicContact CE1-CZ2 3.99Å; F181-W517 HydrophobicContact CG-CH2 4.38Å; F181-W517 HydrophobicContact CG-CZ2 4.41Å; E182-W517 HydrophobicContact CB-CD2 4.17Å; E182-W517 HydrophobicContact CB-CE3 3.76Å; E182-W517 HydrophobicContact CB-CH2 3.77Å; E182-W517 HydrophobicContact CB-CZ2 4.22Å; E182-W517 HydrophobicContact CB-CZ3 3.56Å; E182-W517 HydrophobicContact CG-CD2 3.88Å; E182-W517 HydrophobicContact CG-CE3 3.61Å; E182-W517 HydrophobicContact CG-CG 4.34Å; E182-W517 HydrophobicContact CG-CZ3 3.97Å; Y256-W517 AromaticContact CE1-CD1 3.54Å; Y256-W517 AromaticContact CZ-CD1 3.59Å; A512-W517 HydrophobicContact CB-CB 4.08Å; A512-W517 HydrophobicContact CB-CG 3.84Å; V513-W517 WeakPolarHBondContact O-CB 3.31Å; V513-W517 PolarHBondContact O-N 3.47Å; I515-W517 VanDerWaalsContact C-N 3.29Å; I515-W517 PolarHBondContact O-N 3.17Å; W517-E519 VanDerWaalsContact C-N 3.33Å; W517-E519 PolarHBondContact O-N 3.27Å; W517-E520 VanDerWaalsContact O-CB 3.3Å; W517-E520 WeakPolarHBondContact O-CB 3.13Å; W517-E520 PolarHBondContact O-N 2.8Å; W517-I521 HydrophobicContact CD2-CD1 4.49Å; W517-I521 HydrophobicContact CD2-CG1 3.87Å; W517-I521 HydrophobicContact CE3-CG1 3.91Å; W517-I521 HydrophobicContact CH2-CD1 4.2Å; W517-I521 HydrophobicContact CH2-CG1 3.83Å; W517-I521 HydrophobicContact CZ2-CD1 3.73Å; W517-I521 HydrophobicContact CZ2-CG1 3.74Å; W517-I521 HydrophobicContact CZ3-CG1 3.88Å; W517-I521 VanDerWaalsContact O-CG1 3.29Å; W517-I521 WeakPolarHBondContact O-CG1 3.05Å; W517-I521 PolarHBondContact O-N 3.4Å
518	Q	97.9	Very high	95.9	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-65.1	-36.7	178	-73.1	178.6	32.3	0	0	112.3	P64 I65 E182 P514 I515 I521 I522	P64-Q518 HydrophobicContact CB-CB 3.96Å; P64-Q518 HydrophobicContact CG-CB 3.81Å; I65-Q518 HydrophobicContact CB-CB 4.37Å; I65-Q518 HydrophobicContact CB-CG 4.1Å; I65-Q518 HydrophobicContact CD1-CB 4.15Å; I65-Q518 HydrophobicContact CD1-CG 3.86Å; I65-Q518 HydrophobicContact CG1-CB 3.9Å; I65-Q518 HydrophobicContact CG1-CG 3.93Å; E182-Q518 PolarHBondContact OE2-NE2 3.46Å; P514-Q518 VanDerWaalsContact O-CB 3.32Å; P514-Q518 WeakPolarHBondContact O-CB 3.29Å; P514-Q518 WeakPolarHBondContact O-CG 3.29Å; P514-Q518 PolarHBondContact O-N 3.05Å; I515-Q518 PolarHBondContact O-N 3.31Å; I515-Q518 VanDerWaalsContact O-N 3.14Å; Q518-I521 PolarHBondContact O-N 3.02Å; Q518-I522 WeakPolarHBondContact O-CG1 3.4Å; Q518-I522 PolarHBondContact O-N 3.18Å; Q518-I522 VanDerWaalsContact O-N 3.15Å
519	E	96	Very high	95.6	Very high	74 Å²	74	33.3 Å²	33.3	35%	0.346	19%	0.189	S	C	.	.	H	α-helix	trans	-58.7	-48.2	170.8	-70.3	175.8	162.3	0	0	110.8	P64 I515 W517 I521 I522 E523	P64-E519 HydrophobicContact CB-CG 4.34Å; P64-E519 HydrophobicContact CG-CG 3.6Å; I515-E519 WeakPolarHBondContact O-CG 3.11Å; I515-E519 PolarHBondContact O-N 2.97Å; W517-E519 VanDerWaalsContact C-N 3.33Å; W517-E519 PolarHBondContact O-N 3.27Å; E519-I521 VanDerWaalsContact C-N 3.33Å; E519-I521 PolarHBondContact O-N 3.08Å; E519-I522 PolarHBondContact O-N 3.29Å; E519-E523 WeakPolarHBondContact O-CB 3.27Å; E519-E523 VanDerWaalsContact O-CG 3.26Å; E519-E523 WeakPolarHBondContact O-CG 3.44Å; E519-E523 PolarHBondContact O-N 2.81Å
520	E	96.2	Very high	95.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-54.4	-48.2	176.5	-176.9	-175.8	165.2	0	0	112.5	A210 T213 K215 Y217 Y256 A516 W517 I522 T524	A210-E520 VanDerWaalsContact CB-OE1 3.29Å; A210-E520 WeakPolarHBondContact CB-OE1 3.33Å; T213-E520 VanDerWaalsContact CB-OE1 3.24Å; T213-E520 WeakPolarHBondContact CB-OE1 3.34Å; T213-E520 HydrophobicContact CG2-CG 4.05Å; T213-E520 WeakPolarHBondContact CG2-OE1 3.32Å; T213-E520 PolarHBondContact OG1-OE1 2.68Å; K215-E520 HydrophobicContact CB-CG 3.72Å; K215-E520 HydrophobicContact CG-CG 3.94Å; Y217-E520 HydrophobicContact CE2-CG 4.41Å; Y217-E520 WeakPolarHBondContact CE2-OE2 3.36Å; Y217-E520 VanDerWaalsContact OH-CB 3.31Å; Y217-E520 WeakPolarHBondContact OH-CB 3.35Å; Y217-E520 VanDerWaalsContact OH-CD 3.27Å; Y217-E520 WeakPolarHBondContact OH-CG 3.49Å; Y217-E520 PolarHBondContact OH-OE2 3.33Å; Y256-E520 VanDerWaalsContact CE2-OE2 3.28Å; Y256-E520 WeakPolarHBondContact CE2-OE2 3.37Å; Y256-E520 VanDerWaalsContact CZ-OE2 3.28Å; Y256-E520 VanDerWaalsContact OH-CD 3.31Å; Y256-E520 PolarHBondContact OH-OE1 3.29Å; Y256-E520 PolarHBondContact OH-OE2 3.49Å; A516-E520 PolarHBondContact O-N 3.41Å; A516-E520 VanDerWaalsContact O-N 3.09Å; W517-E520 VanDerWaalsContact O-CB 3.3Å; W517-E520 WeakPolarHBondContact O-CB 3.13Å; W517-E520 PolarHBondContact O-N 2.8Å; E520-I522 VanDerWaalsContact C-N 3.3Å; E520-I522 PolarHBondContact O-N 2.73Å; E520-T524 HydrophobicContact CG-CG2 4.32Å; E520-T524 VanDerWaalsContact O-CB 3.3Å; E520-T524 WeakPolarHBondContact O-CB 3.47Å; E520-T524 WeakPolarHBondContact O-CG2 3.4Å; E520-T524 PolarHBondContact O-N 3.44Å; E520-T524 PolarHBondContact O-OG1 3.15Å
521	I	96.9	Very high	95.1	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-38.5	-177.7	-63.1	-63.5	0	0	0	111.3	I65 W178 T213 W517 Q518 E519 L526 F527	I65-I521 HydrophobicContact CD1-CB 4.27Å; I65-I521 HydrophobicContact CD1-CG2 4.04Å; W178-I521 HydrophobicContact CE3-CG2 4.16Å; W178-I521 HydrophobicContact CH2-CG2 3.57Å; W178-I521 HydrophobicContact CZ2-CG2 4.49Å; W178-I521 HydrophobicContact CZ3-CG2 3.39Å; T213-I521 HydrophobicContact CG2-CD1 4.12Å; W517-I521 HydrophobicContact CD2-CD1 4.49Å; W517-I521 HydrophobicContact CD2-CG1 3.87Å; W517-I521 HydrophobicContact CE3-CG1 3.91Å; W517-I521 HydrophobicContact CH2-CD1 4.2Å; W517-I521 HydrophobicContact CH2-CG1 3.83Å; W517-I521 HydrophobicContact CZ2-CD1 3.73Å; W517-I521 HydrophobicContact CZ2-CG1 3.74Å; W517-I521 HydrophobicContact CZ3-CG1 3.88Å; W517-I521 VanDerWaalsContact O-CG1 3.29Å; W517-I521 WeakPolarHBondContact O-CG1 3.05Å; W517-I521 PolarHBondContact O-N 3.4Å; Q518-I521 PolarHBondContact O-N 3.02Å; E519-I521 VanDerWaalsContact C-N 3.33Å; E519-I521 PolarHBondContact O-N 3.08Å; I521-L526 HydrophobicContact CD1-CD2 3.74Å; I521-L526 HydrophobicContact CG2-CB 4.29Å; I521-L526 PolarHBondContact O-N 3.32Å; I521-L526 VanDerWaalsContact O-N 3.07Å; I521-F527 HydrophobicContact CG2-CB 4Å; I521-F527 PolarHBondContact O-N 3.14Å
522	I	96.3	Very high	94.7	Very high	40 Å²	40	34 Å²	34	21%	0.205	18%	0.183	C	C	.	.	H	α-helix	trans	-73.6	-51.6	177.6	-67	168.3	0	0	0	110.8	P64 I65 Q518 E519 E520 T524 G525 F527	P64-I522 HydrophobicContact CB-CD1 3.64Å; I65-I522 HydrophobicContact CG1-CD1 3.93Å; I65-I522 HydrophobicContact CG1-CG1 4.06Å; Q518-I522 WeakPolarHBondContact O-CG1 3.4Å; Q518-I522 PolarHBondContact O-N 3.18Å; Q518-I522 VanDerWaalsContact O-N 3.15Å; E519-I522 PolarHBondContact O-N 3.29Å; E520-I522 VanDerWaalsContact C-N 3.3Å; E520-I522 PolarHBondContact O-N 2.73Å; I522-T524 PolarHBondContact O-N 3.06Å; I522-G525 PolarHBondContact O-N 3.13Å; I522-F527 HydrophobicContact CG1-CB 4.1Å; I522-F527 HydrophobicContact CG1-CG 4.3Å
523	E	94.1	Very high	93.9	Very high	120 Å²	120	38.9 Å²	38.9	56%	0.561	21%	0.213	S	C	*	.	H	α-helix	trans	-60.1	-31.6	-177	-73.4	177	177.5	0	0	112.8	K215 E519 G525	K215-E523 IonicContact NZ-OE2 2.64Å; K215-E523 PolarHBondContact NZ-OE2 2.84Å; E519-E523 WeakPolarHBondContact O-CB 3.27Å; E519-E523 VanDerWaalsContact O-CG 3.26Å; E519-E523 WeakPolarHBondContact O-CG 3.44Å; E519-E523 PolarHBondContact O-N 2.81Å; E523-G525 VanDerWaalsContact C-N 3.29Å
524	T	93.1	Very high	93.2	Very high	29 Å²	29	44.7 Å²	44.7	18%	0.178	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	4	-179.2	64.9	0	0	0	0	113.5	R34 K215 E520 I522 L526	R34-T524 PolarHBondContact NH1-O 3.33Å; R34-T524 PolarHBondContact NH2-O 3.25Å; K215-T524 HydrophobicContact CB-CG2 3.99Å; E520-T524 HydrophobicContact CG-CG2 4.32Å; E520-T524 VanDerWaalsContact O-CB 3.3Å; E520-T524 WeakPolarHBondContact O-CB 3.47Å; E520-T524 WeakPolarHBondContact O-CG2 3.4Å; E520-T524 PolarHBondContact O-N 3.44Å; E520-T524 PolarHBondContact O-OG1 3.15Å; I522-T524 PolarHBondContact O-N 3.06Å; T524-L526 PolarHBondContact O-N 3.38Å
525	G	93.4	Very high	92.4	Very high	25 Å²	25	45 Å²	45	26%	0.258	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	6	-178.7	0	0	0	0	0	114.6	I522 E523 F527 E528 E529	I522-G525 PolarHBondContact O-N 3.13Å; E523-G525 VanDerWaalsContact C-N 3.29Å; G525-F527 VanDerWaalsContact C-N 3.26Å; G525-F527 PolarHBondContact O-N 2.7Å; G525-E528 PolarHBondContact O-N 2.92Å; G525-E529 WeakPolarHBondContact O-CG 3.21Å; G525-E529 PolarHBondContact O-N 3.43Å; G525-E529 VanDerWaalsContact O-N 3.08Å
526	L	93.8	Very high	91	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-68.8	-29.6	-179	-175.9	60.2	0	0	0	111.2	R34 L37 T213 I521 T524 L530	R34-L526 HydrophobicContact CG-CD1 4.1Å; L37-L526 HydrophobicContact CD1-CD1 4.27Å; L37-L526 HydrophobicContact CD1-CD2 4.32Å; T213-L526 HydrophobicContact CG2-CD2 4.01Å; I521-L526 HydrophobicContact CD1-CD2 3.74Å; I521-L526 HydrophobicContact CG2-CB 4.29Å; I521-L526 PolarHBondContact O-N 3.32Å; I521-L526 VanDerWaalsContact O-N 3.07Å; T524-L526 PolarHBondContact O-N 3.38Å; L526-L530 HydrophobicContact CD1-CD1 4.01Å; L526-L530 HydrophobicContact CD1-CD2 4.12Å; L526-L530 HydrophobicContact CD1-CG 3.73Å; L526-L530 HydrophobicContact CG-CD1 4.09Å; L526-L530 HydrophobicContact CG-CG 4.13Å; L526-L530 WeakPolarHBondContact O-CB 3.2Å; L526-L530 WeakPolarHBondContact O-CG 3.46Å; L526-L530 PolarHBondContact O-N 3.17Å
527	F	95.4	Very high	89.1	Confident	5 Å²	5	53.9 Å²	53.9	2%	0.022	30%	0.296	C	S	.	.	H	α-helix	trans	-57.5	-54.5	173	179.4	-103.3	0	0	0	111.5	I65 R68 L69 W178 I521 I522 G525 L530 N531	I65-F527 HydrophobicContact CB-CE2 4.49Å; I65-F527 HydrophobicContact CD1-CD2 4.1Å; I65-F527 HydrophobicContact CG1-CD2 4.01Å; I65-F527 HydrophobicContact CG1-CE2 4.25Å; I65-F527 HydrophobicContact CG2-CD2 4.3Å; I65-F527 HydrophobicContact CG2-CE2 3.76Å; R68-F527 HydrophobicContact CG-CE1 3.78Å; R68-F527 HydrophobicContact CG-CZ 4.06Å; L69-F527 HydrophobicContact CD2-CE2 4.36Å; L69-F527 HydrophobicContact CD2-CZ 3.87Å; L69-F527 HydrophobicContact CG-CE2 4.3Å; L69-F527 HydrophobicContact CG-CZ 4.02Å; W178-F527 HydrophobicContact CD2-CD2 4.43Å; W178-F527 AromaticContact CE2-CD2 3.64Å; W178-F527 AromaticContact CE2-CE2 3.96Å; W178-F527 HydrophobicContact CH2-CD2 4.38Å; W178-F527 HydrophobicContact CZ2-CB 4.42Å; W178-F527 AromaticContact CZ2-CD2 3.62Å; W178-F527 HydrophobicContact CZ2-CD2 3.62Å; W178-F527 HydrophobicContact CZ2-CE2 4.31Å; W178-F527 HydrophobicContact CZ2-CG 4.34Å; W178-F527 AromaticContact NE1-CD2 3.74Å; W178-F527 AromaticContact NE1-CE2 3.54Å; I521-F527 HydrophobicContact CG2-CB 4Å; I521-F527 PolarHBondContact O-N 3.14Å; I522-F527 HydrophobicContact CG1-CB 4.1Å; I522-F527 HydrophobicContact CG1-CG 4.3Å; G525-F527 VanDerWaalsContact C-N 3.26Å; G525-F527 PolarHBondContact O-N 2.7Å; F527-L530 PolarHBondContact O-N 3.47Å; F527-N531 WeakPolarHBondContact CE1-ND2 3.4Å; F527-N531 WeakPolarHBondContact CE2-ND2 3.48Å; F527-N531 WeakPolarHBondContact CZ-ND2 3.25Å; F527-N531 VanDerWaalsContact O-CB 3.24Å; F527-N531 WeakPolarHBondContact O-CB 3.34Å; F527-N531 PolarHBondContact O-N 2.85Å
528	E	93.8	Very high	86.8	Confident	75 Å²	75	56 Å²	56	35%	0.35	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-44.8	179.3	-74.3	70.9	-164.6	0	0	111	R68 G525 N531 D532	R68-E528 IonicContact CZ-OE1 2.69Å; R68-E528 IonicContact NH1-OE1 3.55Å; R68-E528 PolarHBondContact NH1-OE1 3.17Å; R68-E528 IonicContact NH2-OE1 3.79Å; R68-E528 PolarHBondContact NH2-OE1 3.42Å; R68-E528 VanDerWaalsContact NH2-OE1 3.15Å; G525-E528 PolarHBondContact O-N 2.92Å; E528-N531 PolarHBondContact O-N 2.95Å; E528-D532 PolarHBondContact O-N 3.41Å
529	E	91.9	Very high	83.9	Confident	65 Å²	65	61.8 Å²	61.8	30%	0.304	36%	0.361	S	S	.	.	H	α-helix	trans	-59.7	-50.3	177.7	-75.3	-177.6	-149.1	0	0	112.5	R34 G525 N531 D532 R535	R34-E529 WeakPolarHBondContact CD-OE2 3.38Å; R34-E529 IonicContact CZ-OE1 2.85Å; R34-E529 IonicContact NH1-OE1 2.78Å; R34-E529 PolarHBondContact NH1-OE1 3.3Å; R34-E529 IonicContact NH1-OE2 3.83Å; G525-E529 WeakPolarHBondContact O-CG 3.21Å; G525-E529 PolarHBondContact O-N 3.43Å; G525-E529 VanDerWaalsContact O-N 3.08Å; E529-N531 PolarHBondContact O-N 2.89Å; E529-D532 PolarHBondContact O-N 3.02Å; E529-R535 WeakPolarHBondContact O-CD 3.4Å
530	L	91.6	Very high	81.1	Confident	15 Å²	15	61.7 Å²	61.7	8%	0.079	38%	0.379	C	S	.	.	H	α-helix	trans	-75.3	-12.6	-178	-62.3	-168.9	0	0	0	113.4	L37 L39 W178 F181 L526 F527	L37-L530 HydrophobicContact CB-CD2 4.22Å; L39-L530 HydrophobicContact CD2-CD1 4.2Å; L39-L530 HydrophobicContact CG-CB 4.31Å; L39-L530 HydrophobicContact CG-CD1 4.47Å; W178-L530 HydrophobicContact CH2-CB 3.79Å; W178-L530 HydrophobicContact CH2-CD1 3.72Å; W178-L530 HydrophobicContact CH2-CG 4.12Å; W178-L530 HydrophobicContact CZ2-CB 3.88Å; W178-L530 HydrophobicContact CZ3-CD1 4.12Å; F181-L530 HydrophobicContact CE1-CD1 4.4Å; F181-L530 HydrophobicContact CZ-CD1 4.5Å; L526-L530 HydrophobicContact CD1-CD1 4.01Å; L526-L530 HydrophobicContact CD1-CD2 4.12Å; L526-L530 HydrophobicContact CD1-CG 3.73Å; L526-L530 HydrophobicContact CG-CD1 4.09Å; L526-L530 HydrophobicContact CG-CG 4.13Å; L526-L530 WeakPolarHBondContact O-CB 3.2Å; L526-L530 WeakPolarHBondContact O-CG 3.46Å; L526-L530 PolarHBondContact O-N 3.17Å; F527-L530 PolarHBondContact O-N 3.47Å
531	N	90.3	Very high	78.1	Confident	41 Å²	41	71.1 Å²	71.1	22%	0.219	42%	0.423	C	S	.	.	H	α-helix	trans	-95.2	-10.7	174.5	-71	1.5	0	0	0	113.5	K174 W178 F527 E528 E529 P533	K174-N531 VanDerWaalsContact CE-CG 3.48Å; K174-N531 WeakPolarHBondContact CE-OD1 3.4Å; K174-N531 PolarHBondContact NZ-OD1 2.74Å; W178-N531 WeakPolarHBondContact CZ2-OD1 3.39Å; W178-N531 PolarHBondContact NE1-OD1 3.32Å; W178-N531 VanDerWaalsContact NE1-OD1 3.09Å; F527-N531 WeakPolarHBondContact CE1-ND2 3.4Å; F527-N531 WeakPolarHBondContact CE2-ND2 3.48Å; F527-N531 WeakPolarHBondContact CZ-ND2 3.25Å; F527-N531 VanDerWaalsContact O-CB 3.24Å; F527-N531 WeakPolarHBondContact O-CB 3.34Å; F527-N531 PolarHBondContact O-N 2.85Å; E528-N531 PolarHBondContact O-N 2.95Å; E529-N531 PolarHBondContact O-N 2.89Å; N531-P533 WeakPolarHBondContact O-CD 3.36Å
532	D	87.9	Confident	74.9	Confident	75 Å²	75	74.3 Å²	74.3	40%	0.401	46%	0.457	S	S	.	.			trans	-65.7	116.3	178.1	-178.1	1.8	0	0	0	111.1	E528 E529 N534 R535	E528-D532 PolarHBondContact O-N 3.41Å; E529-D532 PolarHBondContact O-N 3.02Å; D532-N534 PolarHBondContact O-N 3Å; D532-N534 WeakPolarHBondContact OD1-CB 3.37Å; D532-N534 PolarHBondContact OD1-N 2.95Å; D532-N534 PolarHBondContact OD1-ND2 3.21Å; D532-R535 HydrophobicContact CB-CB 4.31Å; D532-R535 VanDerWaalsContact O-CB 3.3Å; D532-R535 WeakPolarHBondContact O-CB 3.43Å; D532-R535 PolarHBondContact O-N 2.94Å
533	P	80.9	Confident	71.5	Confident	120 Å²	120	79.3 Å²	79.3	78%	0.779	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.7	178.5	28.9	-36	0	0	0	113.3	N531 R535	N531-P533 WeakPolarHBondContact O-CD 3.36Å; P533-R535 VanDerWaalsContact C-N 3.34Å
534	N	83.1	Confident	68.6	Low	135 Å²	135	79.9 Å²	79.9	72%	0.722	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	1.3	179.7	-57.2	-60.3	0	0	0	112.9	D532 P536	D532-N534 PolarHBondContact O-N 3Å; D532-N534 WeakPolarHBondContact OD1-CB 3.37Å; D532-N534 PolarHBondContact OD1-N 2.95Å; D532-N534 PolarHBondContact OD1-ND2 3.21Å; N534-P536 WeakPolarHBondContact O-CD 3.28Å
535	R	78.9	Confident	65.6	Low	56 Å²	56	83.2 Å²	83.2	21%	0.211	53%	0.525	C	S	.	.			trans	-62.2	120.9	-179.3	-176.1	159.4	-175.5	-101.8	8.8	110	R34 L37 E529 D532 P533 T537	R34-R535 PolarHBondContact O-NH2 3.08Å; L37-R535 PolarHBondContact O-NH1 3.05Å; E529-R535 WeakPolarHBondContact O-CD 3.4Å; D532-R535 HydrophobicContact CB-CB 4.31Å; D532-R535 VanDerWaalsContact O-CB 3.3Å; D532-R535 WeakPolarHBondContact O-CB 3.43Å; D532-R535 PolarHBondContact O-N 2.94Å; P533-R535 VanDerWaalsContact C-N 3.34Å; R535-T537 PolarHBondContact O-N 2.64Å
536	P	66	Low	62.5	Low	115 Å²	115	91.3 Å²	91.3	75%	0.747	55%	0.554	S	S	*	*			trans	-63.6	113.2	175.2	17.4	-20.6	0	0	0	108.2	N534 G538	N534-P536 WeakPolarHBondContact O-CD 3.28Å; P536-G538 PolarHBondContact O-N 3.5Å; P536-G538 VanDerWaalsContact O-N 3.17Å
537	T	57.4	Low	59.8	Low	124 Å²	124	96.4 Å²	96.4	76%	0.761	59%	0.59	S	S	*	*			trans	-61.4	119.9	170.5	45.8	0	0	0	0	106.7	R535 C539	R535-T537 PolarHBondContact O-N 2.64Å; T537-C539 PolarHBondContact O-N 2.89Å
538	G	48.8	Very low	56.8	Low	56 Å²	56	99.2 Å²	99.2	58%	0.577	62%	0.62	S	S	*	*			trans	-56.4	111.1	176.8	0	0	0	0	0	108.9	P536 G540	P536-G538 PolarHBondContact O-N 3.5Å; P536-G538 VanDerWaalsContact O-N 3.17Å; G538-G540 VanDerWaalsContact C-N 3.33Å; G538-G540 PolarHBondContact O-N 2.87Å
539	C	35.4	Very low	54.1	Low	123 Å²	123	99.3 Å²	99.3	83%	0.831	63%	0.625	S	S	*	*			trans	-57.5	96	169.8	-73.7	0	0	0	0	109	T537 E541	T537-C539 PolarHBondContact O-N 2.89Å; C539-E541 PolarHBondContact O-N 3.14Å
540	G	37.4	Very low	51.7	Low	71 Å²	71	99.1 Å²	99.1	73%	0.732	63%	0.631	S	S	*	*			trans	-76.3	102.6	147.2	0	0	0	0	0	107	G538 G542	G538-G540 VanDerWaalsContact C-N 3.33Å; G538-G540 PolarHBondContact O-N 2.87Å; G540-G542 PolarHBondContact O-N 3.47Å
541	E	33.4	Very low	49.3	Very low	200 Å²	200	102.7 Å²	102.7	94%	0.935	65%	0.649	S	S	*	*			trans	-56.9	110	165.5	-71.7	-177	147	0	0	108.7	C539	C539-E541 PolarHBondContact O-N 3.14Å
542	G	29.8	Very low	47.2	Very low	69 Å²	69	102 Å²	102	71%	0.711	65%	0.646	S	S	*	*	S	Bend	trans	162.6	77.5	176.5	0	0	0	0	0	114.9	G540	G540-G542 PolarHBondContact O-N 3.47Å
543	N	26	Very low	44.8	Very low	144 Å²	144	104.9 Å²	104.9	77%	0.77	66%	0.66	S	S	*	*			trans	51.2	115.5	161.4	-84.2	-10.8	0	0	0	119	S545	N543-S545 PolarHBondContact O-N 3.46Å
544	S	33.1	Very low	43	Very low	133 Å²	133	104.2 Å²	104.2	93%	0.93	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	43.9	171.7	60.7	0	0	0	0	115.5
545	S	28.6	Very low	40.9	Very low	98 Å²	98	102.5 Å²	102.5	69%	0.685	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.4	16	-179.6	52.3	0	0	0	0	115.6	N543	N543-S545 PolarHBondContact O-N 3.46Å
546	K	29.1	Very low	38.8	Very low	195 Å²	195	105.1 Å²	105.1	85%	0.848	68%	0.675	S	S	*	*			trans	-123.1	117.2	167.6	-71.5	-173.1	178.5	180	0	111.4	G548	K546-G548 PolarHBondContact O-N 2.88Å
547	S	36.9	Very low	37.2	Very low	110 Å²	110	104.5 Å²	104.5	77%	0.769	67%	0.671	S	S	*	*			trans	-52.1	75	158.2	154.6	0	0	0	0	110.4
548	G	32.2	Very low	35.9	Very low	63 Å²	63	103.3 Å²	103.3	65%	0.649	67%	0.665	S	S	*	*			trans	-94	95.1	172.5	0	0	0	0	0	109	K546 C550	K546-G548 PolarHBondContact O-N 2.88Å; G548-C550 PolarHBondContact O-N 3.07Å; G548-C550 VanDerWaalsContact O-N 3.11Å
549	V	38.1	Very low	35.1	Very low	77 Å²	77	106.5 Å²	106.5	47%	0.467	67%	0.671	S	S	.	*			trans	-53.9	116.9	157.8	174.8	0	0	0	0	105.8	L551	V549-L551 PolarHBondContact O-N 3.09Å
550	C	40	Very low	35	Very low	62 Å²	62	105.3 Å²	105.3	42%	0.419	66%	0.66	S	S	.	*			trans	-71.8	89.8	171.3	-153.2	0	0	0	0	106.2	S36 G548 L552	S36-C550 PolarHBondContact O-SG 3.47Å; G548-C550 PolarHBondContact O-N 3.07Å; G548-C550 VanDerWaalsContact O-N 3.11Å; C550-L552 PolarHBondContact O-N 2.9Å
551	L	43	Very low	34.9	Very low	90 Å²	90	107.9 Å²	107.9	47%	0.471	65%	0.654	S	S	.	*			trans	-56.3	136.8	173.4	-72.2	158.8	0	0	0	107.2	V549 L553	V549-L551 PolarHBondContact O-N 3.09Å; L551-L553 HydrophobicContact CB-CB 4.15Å; L551-L553 HydrophobicContact CB-CD1 4.46Å; L551-L553 HydrophobicContact CB-CG 4.45Å; L551-L553 PolarHBondContact O-N 2.99Å
552	L	45.6	Very low	35	Very low	27 Å²	27	100.3 Å²	100.3	14%	0.141	63%	0.631	C	S	.	*			trans	-62.6	18.5	170.1	-82.6	157.6	0	0	0	113.1	L37 F181 Q184 Y190 N212 C550	L37-L552 HydrophobicContact CD2-CD2 3.83Å; F181-L552 HydrophobicContact CD2-CD1 4.42Å; F181-L552 HydrophobicContact CE1-CD1 4.45Å; F181-L552 HydrophobicContact CE2-CD1 3.95Å; F181-L552 HydrophobicContact CE2-CD2 4.15Å; F181-L552 HydrophobicContact CE2-CG 3.93Å; F181-L552 HydrophobicContact CZ-CD1 3.96Å; F181-L552 HydrophobicContact CZ-CD2 3.74Å; F181-L552 HydrophobicContact CZ-CG 4Å; Q184-L552 HydrophobicContact CB-CD1 3.82Å; Q184-L552 HydrophobicContact CG-CD1 4.15Å; Y190-L552 HydrophobicContact CE1-CB 3.47Å; Y190-L552 VanDerWaalsContact CE1-CB 3.47Å; Y190-L552 HydrophobicContact CE1-CD1 3.83Å; Y190-L552 HydrophobicContact CE1-CD2 4.28Å; Y190-L552 HydrophobicContact CE1-CG 4.06Å; Y190-L552 HydrophobicContact CE2-CB 4.46Å; Y190-L552 WeakPolarHBondContact OH-CB 3.46Å; N212-L552 WeakPolarHBondContact ND2-CD2 3.28Å; C550-L552 PolarHBondContact O-N 2.9Å
553	L	37.5	Very low	35.5	Very low	135 Å²	135	103.1 Å²	103.1	71%	0.707	62%	0.623	S	S	*	*			trans	-105.7	0	-171.6	-73.6	174.1	0	0	0	113.7	Y190 L551	Y190-L553 HydrophobicContact CE2-CD2 3.9Å; L551-L553 HydrophobicContact CB-CB 4.15Å; L551-L553 HydrophobicContact CB-CD1 4.46Å; L551-L553 HydrophobicContact CB-CG 4.45Å; L551-L553 PolarHBondContact O-N 2.99Å

Retrieved 553 of 553 residues in 210.7 ms (Link to these results)

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