A0A087YI09_POEFO Loading...

Cytochrome P450, family 26, subfamily C, polypeptide 1

AlphaFold DB , UniProt , Accession A0A087YI09, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 532 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	45.7	Very low	61.7	Low	244 Å²	244	121.5 Å²	121.5	100%	1.202	66%	0.664	S	S	*	*				0	96.4	0	-89.9	174.9	171.5	0	0	107.9
2	F	48.7	Very low	63.6	Low	198 Å²	198	116.3 Å²	116.3	87%	0.868	65%	0.649	S	S	*	*			trans	-111.5	163	177.6	-95.4	-74.6	0	0	0	108.6	L4	F2-L4 PolarHBondContact O-N 3.25Å
3	P	53.1	Low	65.4	Low	50 Å²	50	115.9 Å²	115.9	33%	0.325	64%	0.644	S	S	.	*				-105.8	91.9	-122.4	36.1	-24.1	0	0	0	111.9	A5 Q6	P3-A5 PolarHBondContact O-N 3.07Å; P3-Q6 HydrophobicContact CB-CB 4.27Å; P3-Q6 HydrophobicContact CB-CG 4.38Å; P3-Q6 HydrophobicContact CG-CB 4.35Å; P3-Q6 PolarHBondContact O-N 2.91Å
4	L	54	Low	67.1	Low	163 Å²	163	111.4 Å²	111.4	85%	0.853	63%	0.629	S	S	*	*	H	α-helix	trans	-62.5	-25.2	173	-84.8	141.8	0	0	0	113	F2	F2-L4 PolarHBondContact O-N 3.25Å
5	A	54.9	Low	68.7	Low	81 Å²	81	109.2 Å²	109.2	67%	0.669	62%	0.619	S	S	*	*	H	α-helix	trans	-72.7	-29.8	179.4	0	0	0	0	0	114.1	P3	P3-A5 PolarHBondContact O-N 3.07Å
6	Q	54.8	Low	70.1	Confident	128 Å²	128	105.6 Å²	105.6	60%	0.598	61%	0.607	S	S	*	*	H	α-helix	trans	-75	-33	179.9	-84.5	179.1	-22.9	0	0	112.7	P3 L10	P3-Q6 HydrophobicContact CB-CB 4.27Å; P3-Q6 HydrophobicContact CB-CG 4.38Å; P3-Q6 HydrophobicContact CG-CB 4.35Å; P3-Q6 PolarHBondContact O-N 2.91Å; Q6-L10 PolarHBondContact O-N 3.3Å
7	F	57.5	Low	71.5	Confident	149 Å²	149	106.7 Å²	106.7	65%	0.654	61%	0.61	S	S	*	*	H	α-helix	trans	-68.7	-35.6	178.3	-84.8	-85.4	0	0	0	113	S11	F7-S11 WeakPolarHBondContact O-CB 3.45Å; F7-S11 PolarHBondContact O-N 3.1Å
8	G	71.7	Confident	72.7	Confident	46 Å²	46	105.1 Å²	105.1	47%	0.474	60%	0.602	S	S	.	*	H	α-helix	trans	-64.9	-40.6	176.8	0	0	0	0	0	112.9	A12	G8-A12 VanDerWaalsContact O-CB 3.24Å; G8-A12 WeakPolarHBondContact O-CB 3.5Å; G8-A12 PolarHBondContact O-N 2.98Å
9	V	74.8	Confident	73.8	Confident	90 Å²	90	103.2 Å²	103.2	55%	0.545	60%	0.596	S	S	.	*	H	α-helix	trans	-70.1	-43.3	178.9	179.4	0	0	0	0	111.3	A12 L13	V9-A12 PolarHBondContact O-N 3Å; V9-L13 HydrophobicContact CG1-CD1 3.93Å; V9-L13 HydrophobicContact CG1-CG 4.36Å; V9-L13 WeakPolarHBondContact O-CB 3.48Å; V9-L13 VanDerWaalsContact O-CG 3.25Å; V9-L13 WeakPolarHBondContact O-CG 3.45Å; V9-L13 PolarHBondContact O-N 3.1Å
10	L	80.9	Confident	74.8	Confident	115 Å²	115	102.3 Å²	102.3	60%	0.602	59%	0.592	S	S	*	*	H	α-helix	trans	-63.1	-42.7	176	-80.8	160.4	0	0	0	112.3	Q6 L13 A14	Q6-L10 PolarHBondContact O-N 3.3Å; L10-L13 PolarHBondContact O-N 3.18Å; L10-A14 VanDerWaalsContact O-CB 3.31Å; L10-A14 WeakPolarHBondContact O-CB 3.49Å; L10-A14 PolarHBondContact O-N 2.97Å
11	S	83.1	Confident	75.8	Confident	73 Å²	73	102.1 Å²	102.1	51%	0.51	59%	0.588	S	S	.	*	H	α-helix	trans	-66	-39.9	176.1	-170.9	0	0	0	0	112.1	F7 T15	F7-S11 WeakPolarHBondContact O-CB 3.45Å; F7-S11 PolarHBondContact O-N 3.1Å; S11-T15 WeakPolarHBondContact O-CB 3.47Å; S11-T15 PolarHBondContact O-N 3.02Å; S11-T15 PolarHBondContact O-OG1 3.3Å
12	A	84.2	Confident	78.1	Confident	59 Å²	59	93.6 Å²	93.6	49%	0.488	55%	0.553	S	S	.	*	H	α-helix	trans	-65.7	-42.9	175.7	0	0	0	0	0	111.7	G8 V9 T15 A16	G8-A12 VanDerWaalsContact O-CB 3.24Å; G8-A12 WeakPolarHBondContact O-CB 3.5Å; G8-A12 PolarHBondContact O-N 2.98Å; V9-A12 PolarHBondContact O-N 3Å; A12-T15 PolarHBondContact O-N 2.85Å; A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 3.05Å
13	L	87.3	Confident	80.3	Confident	111 Å²	111	86.5 Å²	86.5	58%	0.581	53%	0.53	S	S	*	.	H	α-helix	trans	-64.8	-42.8	175.6	-74.2	171.6	0	0	0	112	V9 L10 A16 L17	V9-L13 HydrophobicContact CG1-CD1 3.93Å; V9-L13 HydrophobicContact CG1-CG 4.36Å; V9-L13 WeakPolarHBondContact O-CB 3.48Å; V9-L13 VanDerWaalsContact O-CG 3.25Å; V9-L13 WeakPolarHBondContact O-CG 3.45Å; V9-L13 PolarHBondContact O-N 3.1Å; L10-L13 PolarHBondContact O-N 3.18Å; L13-A16 PolarHBondContact O-N 3.35Å; L13-L17 VanDerWaalsContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 PolarHBondContact O-N 2.81Å
14	A	89.3	Confident	82.3	Confident	52 Å²	52	89 Å²	89	43%	0.43	54%	0.54	S	S	.	.	H	α-helix	trans	-62	-44.9	175.3	0	0	0	0	0	111.2	L10 A16 L17 T18	L10-A14 VanDerWaalsContact O-CB 3.31Å; L10-A14 WeakPolarHBondContact O-CB 3.49Å; L10-A14 PolarHBondContact O-N 2.97Å; A14-A16 PolarHBondContact O-N 3.02Å; A14-L17 PolarHBondContact O-N 3.22Å; A14-T18 WeakPolarHBondContact O-CG2 3.4Å; A14-T18 PolarHBondContact O-N 3.48Å; A14-T18 PolarHBondContact O-OG1 3.14Å; A14-T18 VanDerWaalsContact O-OG1 3.07Å
15	T	91	Very high	84.2	Confident	79 Å²	79	86.4 Å²	86.4	49%	0.485	53%	0.527	S	S	.	.	H	α-helix	trans	-64.1	-41.2	177.7	-53.9	0	0	0	0	111.7	S11 A12 T18 S19	S11-T15 WeakPolarHBondContact O-CB 3.47Å; S11-T15 PolarHBondContact O-N 3.02Å; S11-T15 PolarHBondContact O-OG1 3.3Å; A12-T15 PolarHBondContact O-N 2.85Å; T15-T18 WeakPolarHBondContact CA-OG1 3.48Å; T15-T18 PolarHBondContact O-OG1 3.44Å; T15-S19 VanDerWaalsContact O-CB 3.26Å; T15-S19 WeakPolarHBondContact O-CB 3.46Å; T15-S19 PolarHBondContact O-N 3.4Å; T15-S19 PolarHBondContact O-OG 2.96Å
16	A	91.1	Very high	86.1	Confident	52 Å²	52	87.8 Å²	87.8	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-45.6	174.5	0	0	0	0	0	111	A12 L13 A14 S19 V20	A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 3.05Å; L13-A16 PolarHBondContact O-N 3.35Å; A14-A16 PolarHBondContact O-N 3.02Å; A16-S19 PolarHBondContact O-N 3.5Å; A16-V20 WeakPolarHBondContact O-CB 3.36Å; A16-V20 VanDerWaalsContact O-CG2 3.27Å; A16-V20 WeakPolarHBondContact O-CG2 3.48Å; A16-V20 PolarHBondContact O-N 3.45Å
17	L	93.1	Very high	87.9	Confident	124 Å²	124	86 Å²	86	65%	0.649	52%	0.517	S	S	*	.	H	α-helix	trans	-63.6	-44.5	178.8	-171.7	70.4	0	0	0	112	L13 A14 S19 V20 L21	L13-L17 VanDerWaalsContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 PolarHBondContact O-N 2.81Å; A14-L17 PolarHBondContact O-N 3.22Å; L17-S19 VanDerWaalsContact C-N 3.33Å; L17-S19 PolarHBondContact O-N 3.01Å; L17-V20 PolarHBondContact O-N 3.11Å; L17-L21 WeakPolarHBondContact O-CB 3.49Å; L17-L21 PolarHBondContact O-N 2.88Å
18	T	93.7	Very high	89.5	Confident	77 Å²	77	81.3 Å²	81.3	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-66.3	-36.3	176.9	52.9	0	0	0	0	111.8	A14 T15 L21 S22	A14-T18 WeakPolarHBondContact O-CG2 3.4Å; A14-T18 PolarHBondContact O-N 3.48Å; A14-T18 PolarHBondContact O-OG1 3.14Å; A14-T18 VanDerWaalsContact O-OG1 3.07Å; T15-T18 WeakPolarHBondContact CA-OG1 3.48Å; T15-T18 PolarHBondContact O-OG1 3.44Å; T18-L21 PolarHBondContact O-N 3.06Å; T18-S22 VanDerWaalsContact O-CB 3.28Å; T18-S22 WeakPolarHBondContact O-CB 3.46Å; T18-S22 PolarHBondContact O-N 3.05Å; T18-S22 PolarHBondContact O-OG 3.11Å
19	S	93.5	Very high	90.5	Very high	69 Å²	69	83.3 Å²	83.3	48%	0.483	50%	0.504	S	S	.	.	H	α-helix	trans	-66.5	-44.5	176.1	-59.7	0	0	0	0	111.2	T15 A16 L17 S22 A23	T15-S19 VanDerWaalsContact O-CB 3.26Å; T15-S19 WeakPolarHBondContact O-CB 3.46Å; T15-S19 PolarHBondContact O-N 3.4Å; T15-S19 PolarHBondContact O-OG 2.96Å; A16-S19 PolarHBondContact O-N 3.5Å; L17-S19 VanDerWaalsContact C-N 3.33Å; L17-S19 PolarHBondContact O-N 3.01Å; S19-S22 PolarHBondContact O-N 3.21Å; S19-A23 WeakPolarHBondContact O-CB 3.47Å; S19-A23 PolarHBondContact O-N 2.63Å
20	V	94.3	Very high	91.4	Very high	85 Å²	85	82.1 Å²	82.1	52%	0.515	50%	0.497	S	S	.	.	H	α-helix	trans	-62.5	-46.2	174.9	171	0	0	0	0	110.6	A16 L17 S22 A23 L24	A16-V20 WeakPolarHBondContact O-CB 3.36Å; A16-V20 VanDerWaalsContact O-CG2 3.27Å; A16-V20 WeakPolarHBondContact O-CG2 3.48Å; A16-V20 PolarHBondContact O-N 3.45Å; L17-V20 PolarHBondContact O-N 3.11Å; V20-S22 PolarHBondContact O-N 3.38Å; V20-A23 PolarHBondContact O-N 2.99Å; V20-L24 HydrophobicContact CG1-CD1 4.03Å; V20-L24 HydrophobicContact CG1-CG 4.41Å; V20-L24 VanDerWaalsContact O-CG 3.31Å; V20-L24 WeakPolarHBondContact O-CG 3.08Å; V20-L24 PolarHBondContact O-N 3.28Å
21	L	95.7	Very high	91.8	Very high	100 Å²	100	83.9 Å²	83.9	52%	0.524	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-44	177.4	-177.7	64.1	0	0	0	111.8	L17 T18 A23 L24 L25	L17-L21 WeakPolarHBondContact O-CB 3.49Å; L17-L21 PolarHBondContact O-N 2.88Å; T18-L21 PolarHBondContact O-N 3.06Å; L21-A23 PolarHBondContact O-N 3.25Å; L21-L24 PolarHBondContact O-N 3.3Å; L21-L25 HydrophobicContact CG-CD1 4.18Å; L21-L25 WeakPolarHBondContact O-CB 3.46Å; L21-L25 WeakPolarHBondContact O-CG 3.48Å; L21-L25 PolarHBondContact O-N 3Å
22	S	94.7	Very high	92.1	Very high	65 Å²	65	87 Å²	87	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-62.7	-43.1	177.4	-59.2	0	0	0	0	111.3	T18 S19 V20 L25 L26	T18-S22 VanDerWaalsContact O-CB 3.28Å; T18-S22 WeakPolarHBondContact O-CB 3.46Å; T18-S22 PolarHBondContact O-N 3.05Å; T18-S22 PolarHBondContact O-OG 3.11Å; S19-S22 PolarHBondContact O-N 3.21Å; V20-S22 PolarHBondContact O-N 3.38Å; S22-L25 PolarHBondContact O-N 3.42Å; S22-L26 WeakPolarHBondContact O-CB 3.29Å; S22-L26 WeakPolarHBondContact O-CG 3.47Å; S22-L26 PolarHBondContact O-N 3.31Å
23	A	93.8	Very high	92.6	Very high	48 Å²	48	88.9 Å²	88.9	40%	0.397	50%	0.504	S	S	.	.	H	α-helix	trans	-62.3	-42.9	175.2	0	0	0	0	0	111.8	S19 V20 L21 L26 L27	S19-A23 WeakPolarHBondContact O-CB 3.47Å; S19-A23 PolarHBondContact O-N 2.63Å; V20-A23 PolarHBondContact O-N 2.99Å; L21-A23 PolarHBondContact O-N 3.25Å; A23-L26 PolarHBondContact O-N 3.35Å; A23-L27 WeakPolarHBondContact O-CB 3.36Å; A23-L27 VanDerWaalsContact O-CG 3.26Å; A23-L27 WeakPolarHBondContact O-CG 3.46Å; A23-L27 PolarHBondContact O-N 3.18Å
24	L	94.6	Very high	92.8	Very high	102 Å²	102	85 Å²	85	53%	0.534	48%	0.482	S	S	.	.	H	α-helix	trans	-64.6	-41.5	177	-71.2	174	0	0	0	112.3	V20 L21 L27 A28	V20-L24 HydrophobicContact CG1-CD1 4.03Å; V20-L24 HydrophobicContact CG1-CG 4.41Å; V20-L24 VanDerWaalsContact O-CG 3.31Å; V20-L24 WeakPolarHBondContact O-CG 3.08Å; V20-L24 PolarHBondContact O-N 3.28Å; L21-L24 PolarHBondContact O-N 3.3Å; L24-L27 PolarHBondContact O-N 2.88Å; L24-A28 WeakPolarHBondContact O-CB 3.46Å; L24-A28 PolarHBondContact O-N 3.11Å
25	L	95.4	Very high	92.8	Very high	109 Å²	109	86.2 Å²	86.2	57%	0.571	49%	0.487	S	S	*	.	H	α-helix	trans	-64.7	-43.2	175.7	-74	170.9	0	0	0	111.7	L21 S22 L27 A28 L29	L21-L25 HydrophobicContact CG-CD1 4.18Å; L21-L25 WeakPolarHBondContact O-CB 3.46Å; L21-L25 WeakPolarHBondContact O-CG 3.48Å; L21-L25 PolarHBondContact O-N 3Å; S22-L25 PolarHBondContact O-N 3.42Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.07Å; L25-A28 PolarHBondContact O-N 3.26Å; L25-L29 WeakPolarHBondContact O-CB 3.33Å; L25-L29 PolarHBondContact O-N 2.72Å
26	L	94.1	Very high	92.8	Very high	110 Å²	110	86.8 Å²	86.8	58%	0.576	49%	0.487	S	S	*	.	H	α-helix	trans	-62.1	-41.3	174.9	-74.9	172	0	0	0	111.7	S22 A23 T30	S22-L26 WeakPolarHBondContact O-CB 3.29Å; S22-L26 WeakPolarHBondContact O-CG 3.47Å; S22-L26 PolarHBondContact O-N 3.31Å; A23-L26 PolarHBondContact O-N 3.35Å; L26-T30 WeakPolarHBondContact O-CB 3.47Å; L26-T30 PolarHBondContact O-N 3.17Å; L26-T30 PolarHBondContact O-OG1 3.33Å
27	L	91.3	Very high	92.9	Very high	92 Å²	92	91.4 Å²	91.4	48%	0.482	49%	0.493	S	S	.	.	H	α-helix	trans	-63.9	-43.5	175	-74.5	170.1	0	0	0	111.8	A23 L24 L25 T30 R31	A23-L27 WeakPolarHBondContact O-CB 3.36Å; A23-L27 VanDerWaalsContact O-CG 3.26Å; A23-L27 WeakPolarHBondContact O-CG 3.46Å; A23-L27 PolarHBondContact O-N 3.18Å; L24-L27 PolarHBondContact O-N 2.88Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.07Å; L27-T30 PolarHBondContact O-N 3.05Å; L27-R31 WeakPolarHBondContact O-CB 3.37Å; L27-R31 PolarHBondContact O-N 3.49Å
28	A	91.3	Very high	92.7	Very high	49 Å²	49	86.2 Å²	86.2	41%	0.405	47%	0.465	S	S	.	.	H	α-helix	trans	-63.8	-47	177.3	0	0	0	0	0	111.7	L24 L25 T30 R31 Q32	L24-A28 WeakPolarHBondContact O-CB 3.46Å; L24-A28 PolarHBondContact O-N 3.11Å; L25-A28 PolarHBondContact O-N 3.26Å; A28-T30 PolarHBondContact O-N 2.94Å; A28-R31 PolarHBondContact O-N 2.79Å; A28-Q32 WeakPolarHBondContact O-CG 3.49Å; A28-Q32 PolarHBondContact O-N 3.19Å
29	L	94	Very high	92.4	Very high	88 Å²	88	85.4 Å²	85.4	46%	0.461	46%	0.462	S	S	.	.	H	α-helix	trans	-60.5	-46.2	175.7	179.3	63.5	0	0	0	111	L25 R31 Q32 L33	L25-L29 WeakPolarHBondContact O-CB 3.33Å; L25-L29 PolarHBondContact O-N 2.72Å; L29-R31 VanDerWaalsContact C-N 3.29Å; L29-R31 PolarHBondContact O-N 3.36Å; L29-Q32 PolarHBondContact O-N 3.23Å; L29-Q32 VanDerWaalsContact O-N 3.15Å; L29-L33 HydrophobicContact CD1-CD1 4.17Å; L29-L33 HydrophobicContact CD1-CG 4.09Å; L29-L33 HydrophobicContact CG-CD1 3.97Å; L29-L33 HydrophobicContact CG-CG 4.3Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 WeakPolarHBondContact O-CG 2.96Å; L29-L33 PolarHBondContact O-N 3.36Å
30	T	92.9	Very high	92.3	Very high	65 Å²	65	88.3 Å²	88.3	40%	0.399	47%	0.472	S	S	.	.	H	α-helix	trans	-58.1	-43.4	177.2	-62.2	0	0	0	0	111.1	L26 L27 A28 W34 P58	L26-T30 WeakPolarHBondContact O-CB 3.47Å; L26-T30 PolarHBondContact O-N 3.17Å; L26-T30 PolarHBondContact O-OG1 3.33Å; L27-T30 PolarHBondContact O-N 3.05Å; A28-T30 PolarHBondContact O-N 2.94Å; T30-W34 VanDerWaalsContact O-CB 3.25Å; T30-W34 WeakPolarHBondContact O-CB 3.25Å; T30-W34 PolarHBondContact O-N 3.29Å; T30-P58 HydrophobicContact CG2-CG 3.54Å
31	R	88.7	Confident	92.1	Very high	153 Å²	153	86.8 Å²	86.8	58%	0.577	46%	0.463	S	S	*	.	H	α-helix	trans	-66	-40	176.5	-174.4	179.9	173.2	117.9	-3	112.2	L27 A28 L29 W34 S35	L27-R31 WeakPolarHBondContact O-CB 3.37Å; L27-R31 PolarHBondContact O-N 3.49Å; A28-R31 PolarHBondContact O-N 2.79Å; L29-R31 VanDerWaalsContact C-N 3.29Å; L29-R31 PolarHBondContact O-N 3.36Å; R31-W34 PolarHBondContact O-N 3.07Å; R31-S35 PolarHBondContact O-N 2.92Å
32	Q	90.6	Very high	91.9	Very high	138 Å²	138	86.9 Å²	86.9	65%	0.645	46%	0.456	S	S	*	.	H	α-helix	trans	-66.3	-47.3	176.2	-76.2	-173.8	-8	0	0	111.9	A28 L29 W34 S35 L36	A28-Q32 WeakPolarHBondContact O-CG 3.49Å; A28-Q32 PolarHBondContact O-N 3.19Å; L29-Q32 PolarHBondContact O-N 3.23Å; L29-Q32 VanDerWaalsContact O-N 3.15Å; Q32-W34 VanDerWaalsContact C-N 3.28Å; Q32-W34 PolarHBondContact O-N 3.3Å; Q32-S35 WeakPolarHBondContact O-CB 3.26Å; Q32-S35 PolarHBondContact O-N 2.83Å; Q32-S35 VanDerWaalsContact O-N 3.16Å; Q32-L36 WeakPolarHBondContact O-CB 3.27Å; Q32-L36 PolarHBondContact O-N 3.39Å
33	L	93.6	Very high	91.9	Very high	98 Å²	98	85.6 Å²	85.6	51%	0.513	44%	0.444	S	S	.	.	H	α-helix	trans	-61.2	-37.8	175.6	-69.1	176.4	0	0	0	111.7	L29 L36 R37	L29-L33 HydrophobicContact CD1-CD1 4.17Å; L29-L33 HydrophobicContact CD1-CG 4.09Å; L29-L33 HydrophobicContact CG-CD1 3.97Å; L29-L33 HydrophobicContact CG-CG 4.3Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 WeakPolarHBondContact O-CG 2.96Å; L29-L33 PolarHBondContact O-N 3.36Å; L33-L36 PolarHBondContact O-N 3.04Å; L33-R37 WeakPolarHBondContact O-CB 3.13Å; L33-R37 PolarHBondContact O-N 3.15Å
34	W	92.8	Very high	91.8	Very high	30 Å²	30	88.8 Å²	88.8	11%	0.114	46%	0.461	C	S	.	.	H	α-helix	trans	-62.5	-45.7	173.4	-175.9	-116.5	0	0	0	112.1	T30 R31 Q32 R37 W38 M55 G56 P58 H88	T30-W34 VanDerWaalsContact O-CB 3.25Å; T30-W34 WeakPolarHBondContact O-CB 3.25Å; T30-W34 PolarHBondContact O-N 3.29Å; R31-W34 PolarHBondContact O-N 3.07Å; Q32-W34 VanDerWaalsContact C-N 3.28Å; Q32-W34 PolarHBondContact O-N 3.3Å; W34-R37 PolarHBondContact O-N 3.11Å; W34-W38 AromaticContact CD2-NE1 3.43Å; W34-W38 AromaticContact CE2-CD1 3.83Å; W34-W38 AromaticContact CE2-NE1 3.04Å; W34-W38 AromaticContact CE3-NE1 3.8Å; W34-W38 AromaticContact CH2-CE2 3.79Å; W34-W38 AromaticContact CH2-CZ2 3.49Å; W34-W38 HydrophobicContact CH2-CZ2 3.49Å; W34-W38 VanDerWaalsContact CH2-CZ2 3.49Å; W34-W38 AromaticContact CH2-NE1 3.5Å; W34-W38 AromaticContact CZ2-CE2 3.73Å; W34-W38 AromaticContact CZ2-CZ2 3.77Å; W34-W38 HydrophobicContact CZ2-CZ2 3.77Å; W34-W38 AromaticContact CZ2-NE1 3.09Å; W34-W38 HydrophobicContact CZ3-CZ2 4.1Å; W34-W38 AromaticContact CZ3-NE1 3.83Å; W34-W38 AromaticContact NE1-CD1 3.94Å; W34-W38 AromaticContact NE1-NE1 3.55Å; W34-W38 PolarHBondContact O-N 2.87Å; W34-M55 PolarHBondContact NE1-O 2.62Å; W34-G56 VanDerWaalsContact CD1-O 3.27Å; W34-G56 PolarHBondContact NE1-O 2.89Å; W34-G56 VanDerWaalsContact NE1-O 3.14Å; W34-P58 HydrophobicContact CB-CG 4.14Å; W34-P58 HydrophobicContact CD2-CB 4.05Å; W34-P58 HydrophobicContact CD2-CG 4.22Å; W34-P58 HydrophobicContact CE3-CB 3.94Å; W34-P58 HydrophobicContact CE3-CG 4.46Å; W34-P58 HydrophobicContact CG-CB 4.45Å; W34-P58 HydrophobicContact CG-CG 4.1Å; W34-P58 HydrophobicContact CZ3-CB 4.31Å; W34-H88 AromaticContact CH2-NE2 3.92Å
35	S	88.3	Confident	91.7	Very high	78 Å²	78	91.3 Å²	91.3	55%	0.545	48%	0.475	S	S	.	.	H	α-helix	trans	-62.1	-44.6	174.8	-174.1	0	0	0	0	111.7	R31 Q32 W38 S39	R31-S35 PolarHBondContact O-N 2.92Å; Q32-S35 WeakPolarHBondContact O-CB 3.26Å; Q32-S35 PolarHBondContact O-N 2.83Å; Q32-S35 VanDerWaalsContact O-N 3.16Å; S35-W38 PolarHBondContact O-N 2.8Å; S35-S39 PolarHBondContact O-N 2.89Å
36	L	91.4	Very high	91.6	Very high	91 Å²	91	87.2 Å²	87.2	48%	0.476	46%	0.455	S	S	.	.	H	α-helix	trans	-60.8	-48.3	178.9	-176.3	65.7	0	0	0	110.8	Q32 L33 W38 S39 L40	Q32-L36 WeakPolarHBondContact O-CB 3.27Å; Q32-L36 PolarHBondContact O-N 3.39Å; L33-L36 PolarHBondContact O-N 3.04Å; L36-W38 PolarHBondContact O-N 3.27Å; L36-S39 WeakPolarHBondContact CA-OG 3.42Å; L36-S39 PolarHBondContact O-N 3.4Å; L36-S39 PolarHBondContact O-OG 2.92Å; L36-L40 HydrophobicContact CD1-CG 4.46Å; L36-L40 HydrophobicContact CG-CD1 4.18Å; L36-L40 HydrophobicContact CG-CG 4.42Å; L36-L40 WeakPolarHBondContact O-CG 3.12Å; L36-L40 PolarHBondContact O-N 3.14Å
37	R	92.6	Very high	91.6	Very high	148 Å²	148	87.2 Å²	87.2	56%	0.558	47%	0.465	S	S	*	.	H	α-helix	trans	-47.9	-47.8	175.9	176.8	-171.4	173.1	99.9	1.5	111.8	L33 W34 L40 T41	L33-R37 WeakPolarHBondContact O-CB 3.13Å; L33-R37 PolarHBondContact O-N 3.15Å; W34-R37 PolarHBondContact O-N 3.11Å; R37-L40 PolarHBondContact O-N 3.42Å; R37-T41 PolarHBondContact O-N 3.31Å
38	W	90.3	Very high	91.9	Very high	16 Å²	16	84.7 Å²	84.7	6%	0.061	45%	0.451	C	S	.	.	H	α-helix	trans	-77.4	-30.5	-178.8	-63.7	118.1	0	0	0	113.3	W34 S35 L36 L40 T41 M55 H88 P93 W426	W34-W38 AromaticContact CD2-NE1 3.43Å; W34-W38 AromaticContact CE2-CD1 3.83Å; W34-W38 AromaticContact CE2-NE1 3.04Å; W34-W38 AromaticContact CE3-NE1 3.8Å; W34-W38 AromaticContact CH2-CE2 3.79Å; W34-W38 AromaticContact CH2-CZ2 3.49Å; W34-W38 HydrophobicContact CH2-CZ2 3.49Å; W34-W38 VanDerWaalsContact CH2-CZ2 3.49Å; W34-W38 AromaticContact CH2-NE1 3.5Å; W34-W38 AromaticContact CZ2-CE2 3.73Å; W34-W38 AromaticContact CZ2-CZ2 3.77Å; W34-W38 HydrophobicContact CZ2-CZ2 3.77Å; W34-W38 AromaticContact CZ2-NE1 3.09Å; W34-W38 HydrophobicContact CZ3-CZ2 4.1Å; W34-W38 AromaticContact CZ3-NE1 3.83Å; W34-W38 AromaticContact NE1-CD1 3.94Å; W34-W38 AromaticContact NE1-NE1 3.55Å; W34-W38 PolarHBondContact O-N 2.87Å; S35-W38 PolarHBondContact O-N 2.8Å; L36-W38 PolarHBondContact O-N 3.27Å; W38-L40 PolarHBondContact O-N 3.11Å; W38-T41 HydrophobicContact CE3-CG2 4.16Å; W38-T41 HydrophobicContact CZ3-CG2 4.47Å; W38-T41 PolarHBondContact O-N 3.16Å; W38-T41 PolarHBondContact O-OG1 2.78Å; W38-M55 HydrophobicContact CB-CG 4.09Å; W38-M55 HydrophobicContact CD2-CE 3.52Å; W38-M55 HydrophobicContact CD2-CG 4.46Å; W38-M55 HydrophobicContact CE3-CE 3.9Å; W38-M55 HydrophobicContact CG-CB 4.24Å; W38-M55 HydrophobicContact CG-CE 3.84Å; W38-M55 HydrophobicContact CG-CG 3.77Å; W38-M55 HydrophobicContact CH2-CE 4.4Å; W38-M55 HydrophobicContact CZ2-CE 4.06Å; W38-M55 HydrophobicContact CZ3-CE 4.33Å; W38-H88 AromaticContact CH2-CD2 3.97Å; W38-H88 AromaticContact CZ2-CD2 3.47Å; W38-H88 VanDerWaalsContact CZ2-CD2 3.47Å; W38-H88 WeakPolarHBondContact CZ2-CD2 3.46Å; W38-H88 AromaticContact CZ2-NE2 3.58Å; W38-P93 HydrophobicContact CE3-CB 4.4Å; W38-P93 HydrophobicContact CH2-CB 4.05Å; W38-P93 HydrophobicContact CH2-CG 3.99Å; W38-P93 HydrophobicContact CZ3-CB 3.81Å; W38-P93 HydrophobicContact CZ3-CG 3.8Å; W38-W426 HydrophobicContact CE3-CZ2 4.08Å
39	S	87.1	Confident	92.1	Very high	59 Å²	59	85.5 Å²	85.5	41%	0.413	45%	0.453	S	S	.	.	H	α-helix	trans	-63.8	-32.9	171.2	72.2	0	0	0	0	112.3	S35 L36 T41 R42	S35-S39 PolarHBondContact O-N 2.89Å; L36-S39 WeakPolarHBondContact CA-OG 3.42Å; L36-S39 PolarHBondContact O-N 3.4Å; L36-S39 PolarHBondContact O-OG 2.92Å; S39-T41 VanDerWaalsContact C-N 3.28Å; S39-T41 PolarHBondContact O-N 3.32Å; S39-R42 WeakPolarHBondContact O-CB 3.42Å; S39-R42 PolarHBondContact O-N 2.78Å
40	L	90.3	Very high	92.1	Very high	131 Å²	131	82.5 Å²	82.5	69%	0.686	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-17.7	176.4	-66.7	173.1	0	0	0	113.5	L36 R37 W38 R42	L36-L40 HydrophobicContact CD1-CG 4.46Å; L36-L40 HydrophobicContact CG-CD1 4.18Å; L36-L40 HydrophobicContact CG-CG 4.42Å; L36-L40 WeakPolarHBondContact O-CG 3.12Å; L36-L40 PolarHBondContact O-N 3.14Å; R37-L40 PolarHBondContact O-N 3.42Å; W38-L40 PolarHBondContact O-N 3.11Å; L40-R42 PolarHBondContact O-N 2.92Å
41	T	89.8	Confident	92.3	Very high	53 Å²	53	79.4 Å²	79.4	33%	0.325	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	2.7	173.4	58.4	0	0	0	0	113.6	R37 W38 S39 W426	R37-T41 PolarHBondContact O-N 3.31Å; W38-T41 HydrophobicContact CE3-CG2 4.16Å; W38-T41 HydrophobicContact CZ3-CG2 4.47Å; W38-T41 PolarHBondContact O-N 3.16Å; W38-T41 PolarHBondContact O-OG1 2.78Å; S39-T41 VanDerWaalsContact C-N 3.28Å; S39-T41 PolarHBondContact O-N 3.32Å; T41-W426 WeakPolarHBondContact OG1-CZ2 3.42Å
42	R	92.6	Very high	92.6	Very high	101 Å²	101	79.9 Å²	79.9	38%	0.381	42%	0.419	S	S	.	.	S	Bend	trans	-61.4	141.4	168	-175	-173.3	167.5	168.5	-2.2	109.2	S39 L40 P44 S46 S47 L48 L50 Q421	S39-R42 WeakPolarHBondContact O-CB 3.42Å; S39-R42 PolarHBondContact O-N 2.78Å; L40-R42 PolarHBondContact O-N 2.92Å; R42-P44 WeakPolarHBondContact O-CD 3.41Å; R42-S46 PolarHBondContact NH2-O 3.3Å; R42-S47 VanDerWaalsContact NH2-C 3.25Å; R42-S47 PolarHBondContact NH2-O 2.95Å; R42-L48 PolarHBondContact NE-O 2.95Å; R42-L48 PolarHBondContact NH2-O 2.92Å; R42-L50 HydrophobicContact CB-CD1 4.36Å; R42-L50 HydrophobicContact CB-CG 4.36Å; R42-L50 HydrophobicContact CG-CG 4.43Å; R42-Q421 VanDerWaalsContact CG-CD 3.45Å
43	D	93.8	Very high	92.8	Very high	38 Å²	38	74.4 Å²	74.4	20%	0.203	40%	0.4	C	S	.	.			trans	-70.1	116.6	168.7	-168.2	-26.2	0	0	0	109.6	D45 S46 T414 Q421	D43-D45 PolarHBondContact O-N 3.03Å; D43-D45 WeakPolarHBondContact OD1-CB 3.31Å; D43-D45 PolarHBondContact OD1-N 3.06Å; D43-S46 PolarHBondContact O-N 2.7Å; D43-T414 HydrophobicContact CB-CG2 3.79Å; D43-T414 WeakPolarHBondContact OD2-CB 3.22Å; D43-T414 WeakPolarHBondContact OD2-CG2 3.28Å; D43-T414 PolarHBondContact OD2-OG1 3.5Å; D43-Q421 PolarHBondContact O-NE2 2.81Å
44	P	91.7	Very high	92.8	Very high	115 Å²	115	72 Å²	72	75%	0.747	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.8	-179.4	29.8	-35.6	0	0	0	112.6	R42 S46	R42-P44 WeakPolarHBondContact O-CD 3.41Å; P44-S46 PolarHBondContact O-N 2.63Å
45	D	93.9	Very high	92.9	Very high	155 Å²	155	71.1 Å²	71.1	83%	0.829	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-8.4	180	-61.4	-30.3	0	0	0	111.8	D43	D43-D45 PolarHBondContact O-N 3.03Å; D43-D45 WeakPolarHBondContact OD1-CB 3.31Å; D43-D45 PolarHBondContact OD1-N 3.06Å
46	S	93.3	Very high	93.1	Very high	23 Å²	23	68.3 Å²	68.3	16%	0.161	37%	0.372	C	S	.	.			trans	-103	122.7	178.1	-176.6	0	0	0	0	112.4	R42 D43 P44 L48 Q421	R42-S46 PolarHBondContact NH2-O 3.3Å; D43-S46 PolarHBondContact O-N 2.7Å; P44-S46 PolarHBondContact O-N 2.63Å; S46-L48 PolarHBondContact O-N 3.43Å; S46-L48 PolarHBondContact OG-N 3.43Å; S46-Q421 PolarHBondContact O-NE2 3.36Å
47	S	94.2	Very high	93.1	Very high	111 Å²	111	70 Å²	70	78%	0.776	37%	0.372	S	S	*	.			trans	-67.8	-19.9	174.2	58	0	0	0	0	113.6	R42	R42-S47 VanDerWaalsContact NH2-C 3.25Å; R42-S47 PolarHBondContact NH2-O 2.95Å
48	L	96.5	Very high	92.9	Very high	39 Å²	39	64.6 Å²	64.6	20%	0.204	36%	0.356	C	S	.	.	S	Bend	trans	-74.6	149.3	-177.6	-59.3	178.5	0	0	0	112.3	R42 S46 E416 Q421	R42-L48 PolarHBondContact NE-O 2.95Å; R42-L48 PolarHBondContact NH2-O 2.92Å; S46-L48 PolarHBondContact O-N 3.43Å; S46-L48 PolarHBondContact OG-N 3.43Å; L48-E416 HydrophobicContact CD1-CB 3.83Å; L48-E416 HydrophobicContact CD1-CG 3.5Å; L48-Q421 HydrophobicContact CB-CB 4.18Å; L48-Q421 WeakPolarHBondContact O-CG 3.15Å; L48-Q421 PolarHBondContact O-NE2 3.37Å
49	P	95.2	Very high	92.4	Very high	66 Å²	66	70.5 Å²	70.5	43%	0.429	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-76.8	162.2	174	31.5	-33.3	0	0	0	112.1	Y420 Q421	P49-Y420 HydrophobicContact CG-CD1 3.97Å; P49-Y420 HydrophobicContact CG-CE1 4.22Å; P49-Y420 WeakPolarHBondContact O-CA 3.33Å; P49-Q421 WeakPolarHBondContact O-CG 3.44Å; P49-Q421 PolarHBondContact O-N 3.47Å
50	L	95.6	Very high	92.4	Very high	24 Å²	24	70.4 Å²	70.4	13%	0.126	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-64.6	152.5	164.9	-69.6	172.7	0	0	0	110.3	R42 Y420 Q421 P423	R42-L50 HydrophobicContact CB-CD1 4.36Å; R42-L50 HydrophobicContact CB-CG 4.36Å; R42-L50 HydrophobicContact CG-CG 4.43Å; L50-Y420 WeakPolarHBondContact O-CD1 3.41Å; L50-Q421 HydrophobicContact CD2-CG 4.21Å; L50-P423 HydrophobicContact CD2-CG 3.33Å
51	P	96.6	Very high	92.6	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.006	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-51.3	146.4	172.4	-28.6	35.9	0	0	0	112.3	V84 K86 I95 Y420 Q421 I422	P51-V84 HydrophobicContact CB-CG1 4.14Å; P51-V84 HydrophobicContact CG-CG1 3.92Å; P51-K86 HydrophobicContact CB-CB 4.33Å; P51-K86 WeakPolarHBondContact O-CD 3.38Å; P51-K86 VanDerWaalsContact O-CE 3.29Å; P51-K86 WeakPolarHBondContact O-CE 3.44Å; P51-K86 VanDerWaalsContact O-CG 3.28Å; P51-K86 WeakPolarHBondContact O-CG 3.24Å; P51-I95 HydrophobicContact CB-CD1 4.45Å; P51-I95 HydrophobicContact CG-CD1 3.96Å; P51-I95 HydrophobicContact CG-CG2 4.32Å; P51-Y420 VanDerWaalsContact CA-CD1 3.46Å; P51-Y420 HydrophobicContact CB-CG 4.25Å; P51-Y420 HydrophobicContact CG-CG 4.15Å; P51-Q421 VanDerWaalsContact CD-O 3.28Å; P51-Q421 WeakPolarHBondContact CD-O 3.42Å; P51-I422 HydrophobicContact CG-CD1 3.78Å
52	R	95.5	Very high	92.7	Very high	162 Å²	162	62.2 Å²	62.2	61%	0.611	34%	0.341	S	S	*	.	S	Bend	trans	-61.3	158	170.2	-66.1	179.8	-178.1	-168.6	-0.1	109.9	H81 F85 K86 Y420	R52-H81 HydrophobicContact CB-CB 4.19Å; R52-F85 CarbonylContact O-C 3.5Å; R52-F85 WeakPolarHBondContact O-CA 3.49Å; R52-F85 VanDerWaalsContact O-CB 3.24Å; R52-F85 WeakPolarHBondContact O-CB 3.28Å; R52-K86 PolarHBondContact O-N 3.02Å; R52-Y420 WeakPolarHBondContact CD-OH 3.25Å; R52-Y420 HydrophobicContact CG-CE1 4.23Å; R52-Y420 PolarHBondContact NE-OH 3.22Å
53	G	94.6	Very high	92.6	Very high	23 Å²	23	58.2 Å²	58.2	24%	0.237	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	130.4	178.4	179	0	0	0	0	0	113.5	K86	G53-K86 CarbonylContact C-O 3.56Å; G53-K86 WeakPolarHBondContact CA-O 3.38Å; G53-K86 WeakPolarHBondContact O-CE 3.4Å
54	S	93.2	Very high	92.3	Very high	48 Å²	48	62.1 Å²	62.1	34%	0.336	34%	0.343	S	S	.	.			trans	-113.1	130.9	-171.5	-178.8	0	0	0	0	111.3	G56 K86 T87	S54-G56 PolarHBondContact O-N 3.06Å; S54-G56 PolarHBondContact OG-N 3.3Å; S54-G56 VanDerWaalsContact OG-N 3.1Å; S54-K86 PolarHBondContact N-O 3.47Å; S54-T87 VanDerWaalsContact O-CA 3.3Å; S54-T87 WeakPolarHBondContact O-CA 3.25Å
55	M	93.9	Very high	92.2	Very high	12 Å²	12	60.8 Å²	60.8	6%	0.059	33%	0.327	C	S	.	.			trans	-82.5	7.5	170	-59.3	-57.1	-73.4	0	0	112.5	W34 W38 G61 K86 H88 P93 W426	W34-M55 PolarHBondContact NE1-O 2.62Å; W38-M55 HydrophobicContact CB-CG 4.09Å; W38-M55 HydrophobicContact CD2-CE 3.52Å; W38-M55 HydrophobicContact CD2-CG 4.46Å; W38-M55 HydrophobicContact CE3-CE 3.9Å; W38-M55 HydrophobicContact CG-CB 4.24Å; W38-M55 HydrophobicContact CG-CE 3.84Å; W38-M55 HydrophobicContact CG-CG 3.77Å; W38-M55 HydrophobicContact CH2-CE 4.4Å; W38-M55 HydrophobicContact CZ2-CE 4.06Å; W38-M55 HydrophobicContact CZ3-CE 4.33Å; M55-G61 WeakPolarHBondContact O-CA 3.26Å; M55-K86 HydrophobicContact CG-CD 4.42Å; M55-K86 HydrophobicContact SD-CB 4.27Å; M55-K86 HydrophobicContact SD-CD 3.94Å; M55-K86 HydrophobicContact SD-CG 4.11Å; M55-H88 HydrophobicContact CB-CB 4.42Å; M55-H88 HydrophobicContact CE-CB 3.93Å; M55-H88 WeakPolarHBondContact O-CB 3.26Å; M55-H88 HydrophobicContact SD-CB 4.47Å; M55-P93 HydrophobicContact CE-CB 3.73Å; M55-W426 HydrophobicContact CE-CH2 3.91Å; M55-W426 HydrophobicContact CE-CZ3 4.22Å; M55-W426 HydrophobicContact SD-CH2 4.15Å; M55-W426 HydrophobicContact SD-CZ3 4.34Å
56	G	92.8	Very high	91.9	Very high	19 Å²	19	56 Å²	56	20%	0.196	30%	0.297	C	S	.	.			trans	56.6	-151	179.7	0	0	0	0	0	113.8	W34 S54	W34-G56 VanDerWaalsContact CD1-O 3.27Å; W34-G56 PolarHBondContact NE1-O 2.89Å; W34-G56 VanDerWaalsContact NE1-O 3.14Å; S54-G56 PolarHBondContact O-N 3.06Å; S54-G56 PolarHBondContact OG-N 3.3Å; S54-G56 VanDerWaalsContact OG-N 3.1Å
57	W	90.9	Very high	91.4	Very high	125 Å²	125	59.8 Å²	59.8	47%	0.473	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-80.1	154.7	177.5	-69.8	102.2	0	0	0	111.6	L59 V60 G61	W57-L59 PolarHBondContact O-N 3.48Å; W57-V60 HydrophobicContact CB-CG2 3.97Å; W57-G61 PolarHBondContact N-O 3.04Å; W57-G61 VanDerWaalsContact N-O 3.08Å; W57-G61 WeakPolarHBondContact O-CA 3.43Å; W57-G61 PolarHBondContact O-N 2.95Å
58	P	88.4	Confident	90.9	Very high	35 Å²	35	62.8 Å²	62.8	23%	0.227	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	141.9	172.7	-19.7	26	0	0	0	112.3	T30 W34 V60	T30-P58 HydrophobicContact CG2-CG 3.54Å; W34-P58 HydrophobicContact CB-CG 4.14Å; W34-P58 HydrophobicContact CD2-CB 4.05Å; W34-P58 HydrophobicContact CD2-CG 4.22Å; W34-P58 HydrophobicContact CE3-CB 3.94Å; W34-P58 HydrophobicContact CE3-CG 4.46Å; W34-P58 HydrophobicContact CG-CB 4.45Å; W34-P58 HydrophobicContact CG-CG 4.1Å; W34-P58 HydrophobicContact CZ3-CB 4.31Å; P58-V60 PolarHBondContact O-N 2.98Å
59	L	81.6	Confident	90.3	Very high	140 Å²	140	64.8 Å²	64.8	73%	0.733	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	-52.3	179.8	-53.1	171.1	0	0	0	115.1	W57 H88	W57-L59 PolarHBondContact O-N 3.48Å; L59-H88 PolarHBondContact O-CE1 2.92Å
60	V	86.9	Confident	89.6	Confident	57 Å²	57	63.2 Å²	63.2	35%	0.345	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-17.6	-174.1	-60.8	0	0	0	0	113.2	W57 P58 E62 T63 F64	W57-V60 HydrophobicContact CB-CG2 3.97Å; P58-V60 PolarHBondContact O-N 2.98Å; V60-E62 PolarHBondContact O-N 3.31Å; V60-T63 WeakPolarHBondContact O-CB 3.42Å; V60-T63 PolarHBondContact O-N 2.65Å; V60-T63 PolarHBondContact O-OG1 3.45Å; V60-F64 HydrophobicContact CB-CD2 4.31Å; V60-F64 HydrophobicContact CB-CE2 3.99Å; V60-F64 HydrophobicContact CG1-CE2 3.96Å; V60-F64 HydrophobicContact CG2-CD2 4.31Å; V60-F64 HydrophobicContact CG2-CE2 4.19Å
61	G	93	Very high	88.7	Confident	4 Å²	4	64.1 Å²	64.1	4%	0.041	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	55.9	-126.7	-179.2	0	0	0	0	0	112.8	M55 W57 H88	M55-G61 WeakPolarHBondContact O-CA 3.26Å; W57-G61 PolarHBondContact N-O 3.04Å; W57-G61 VanDerWaalsContact N-O 3.08Å; W57-G61 WeakPolarHBondContact O-CA 3.43Å; W57-G61 PolarHBondContact O-N 2.95Å; G61-H88 CarbonylContact C-O 3.59Å; G61-H88 WeakPolarHBondContact CA-ND1 3.34Å; G61-H88 WeakPolarHBondContact CA-O 3.38Å
62	E	93.8	Very high	88.1	Confident	9 Å²	9	68.9 Å²	68.9	4%	0.042	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	13.9	174.4	-64.4	-165.7	89.6	0	0	112.9	V60 F64 H65 W66 F73 R77 T87 H88 L89	V60-E62 PolarHBondContact O-N 3.31Å; E62-F64 VanDerWaalsContact C-N 3.32Å; E62-F64 PolarHBondContact O-N 2.63Å; E62-H65 WeakPolarHBondContact O-CB 3.28Å; E62-H65 PolarHBondContact O-N 2.87Å; E62-H65 VanDerWaalsContact O-N 3.07Å; E62-W66 PolarHBondContact O-N 2.93Å; E62-F73 HydrophobicContact CB-CE2 3.78Å; E62-F73 HydrophobicContact CB-CZ 3.73Å; E62-F73 HydrophobicContact CG-CE2 4.48Å; E62-F73 HydrophobicContact CG-CZ 4.42Å; E62-R77 IonicContact OE1-CZ 3.19Å; E62-R77 IonicContact OE1-NE 2.7Å; E62-R77 PolarHBondContact OE1-NE 3.02Å; E62-R77 IonicContact OE1-NH2 3.37Å; E62-R77 PolarHBondContact OE1-NH2 3.08Å; E62-T87 PolarHBondContact OE2-OG1 2.91Å; E62-H88 PolarHBondContact N-O 3.19Å; E62-L89 HydrophobicContact CB-CD2 4.12Å
63	T	89.4	Confident	87.8	Confident	16 Å²	16	61.2 Å²	61.2	10%	0.098	32%	0.323	C	S	.	.	H	α-helix	trans	-55.3	-42.6	-172.4	-54.3	0	0	0	0	113	V60 W66 L67 L90	V60-T63 WeakPolarHBondContact O-CB 3.42Å; V60-T63 PolarHBondContact O-N 2.65Å; V60-T63 PolarHBondContact O-OG1 3.45Å; T63-W66 WeakPolarHBondContact O-CB 2.97Å; T63-W66 PolarHBondContact O-N 3.46Å; T63-L67 HydrophobicContact CG2-CD1 4.16Å; T63-L67 HydrophobicContact CG2-CG 4.46Å; T63-L67 WeakPolarHBondContact O-CG 3.3Å; T63-L67 PolarHBondContact O-N 3.25Å; T63-L90 HydrophobicContact CG2-CD2 3.66Å; T63-L90 HydrophobicContact CG2-CG 4.39Å; T63-L90 PolarHBondContact OG1-N 2.94Å
64	F	87.9	Confident	87.5	Confident	121 Å²	121	60.6 Å²	60.6	53%	0.531	31%	0.314	S	S	.	.	H	α-helix	trans	-68	-40.7	178.1	-67.2	-66.7	0	0	0	112.7	V60 E62 W66 L67 F68	V60-F64 HydrophobicContact CB-CD2 4.31Å; V60-F64 HydrophobicContact CB-CE2 3.99Å; V60-F64 HydrophobicContact CG1-CE2 3.96Å; V60-F64 HydrophobicContact CG2-CD2 4.31Å; V60-F64 HydrophobicContact CG2-CE2 4.19Å; E62-F64 VanDerWaalsContact C-N 3.32Å; E62-F64 PolarHBondContact O-N 2.63Å; F64-W66 VanDerWaalsContact C-N 3.26Å; F64-W66 PolarHBondContact O-N 3.34Å; F64-L67 HydrophobicContact CD1-CD1 4.43Å; F64-L67 PolarHBondContact O-N 3.3Å; F64-F68 HydrophobicContact CB-CD2 4.28Å; F64-F68 HydrophobicContact CB-CE2 4.09Å; F64-F68 HydrophobicContact CD1-CE2 4.44Å; F64-F68 WeakPolarHBondContact O-CD2 3.41Å; F64-F68 WeakPolarHBondContact O-CG 3.48Å; F64-F68 PolarHBondContact O-N 2.83Å
65	H	88.8	Confident	87.3	Confident	86 Å²	86	60.1 Å²	60.1	40%	0.398	31%	0.307	S	S	.	.	H	α-helix	trans	-59.9	-41.4	173.7	-65	132.8	0	0	0	111.1	E62 Q69 F73	E62-H65 WeakPolarHBondContact O-CB 3.28Å; E62-H65 PolarHBondContact O-N 2.87Å; E62-H65 VanDerWaalsContact O-N 3.07Å; H65-Q69 WeakPolarHBondContact O-CB 3.46Å; H65-Q69 WeakPolarHBondContact O-CG 3.3Å; H65-Q69 PolarHBondContact O-N 3.4Å; H65-F73 HydrophobicContact CB-CD2 3.97Å; H65-F73 HydrophobicContact CB-CE2 3.91Å
66	W	88.1	Confident	87.2	Confident	54 Å²	54	61.1 Å²	61.1	21%	0.205	32%	0.316	C	S	.	.	H	α-helix	trans	-63.9	-44.7	176.1	173.2	71.9	0	0	0	112.3	E62 T63 F64 F68 G70 F73 H74 L89 L90	E62-W66 PolarHBondContact O-N 2.93Å; T63-W66 WeakPolarHBondContact O-CB 2.97Å; T63-W66 PolarHBondContact O-N 3.46Å; F64-W66 VanDerWaalsContact C-N 3.26Å; F64-W66 PolarHBondContact O-N 3.34Å; W66-F68 PolarHBondContact O-N 3.28Å; W66-G70 WeakPolarHBondContact O-CA 3.48Å; W66-G70 PolarHBondContact O-N 2.88Å; W66-F73 HydrophobicContact CB-CD1 4.05Å; W66-F73 HydrophobicContact CB-CD2 4.05Å; W66-F73 HydrophobicContact CB-CE1 4.25Å; W66-F73 HydrophobicContact CB-CE2 4.23Å; W66-F73 HydrophobicContact CB-CG 3.95Å; W66-F73 HydrophobicContact CB-CZ 4.34Å; W66-F73 AromaticContact CD1-CD1 3.65Å; W66-F73 HydrophobicContact CG-CD1 4.24Å; W66-F73 HydrophobicContact CG-CG 4.42Å; W66-H74 AromaticContact CD1-CE1 3.74Å; W66-H74 AromaticContact CD1-NE2 3.5Å; W66-H74 AromaticContact NE1-CE1 3.77Å; W66-H74 AromaticContact NE1-NE2 3.19Å; W66-H74 PolarHBondContact NE1-NE2 3.44Å; W66-H74 VanDerWaalsContact NE1-NE2 3.19Å; W66-L89 HydrophobicContact CB-CD2 3.71Å; W66-L89 HydrophobicContact CD2-CD1 4.47Å; W66-L89 HydrophobicContact CG-CD1 4.16Å; W66-L89 HydrophobicContact CG-CD2 4.13Å; W66-L90 HydrophobicContact CZ3-CD2 4.37Å
67	L	82.2	Confident	87.3	Confident	103 Å²	103	61.2 Å²	61.2	54%	0.539	31%	0.31	S	S	.	.	H	α-helix	trans	-62.3	-42.8	177.1	-73.3	171.3	0	0	0	112.5	T63 F64	T63-L67 HydrophobicContact CG2-CD1 4.16Å; T63-L67 HydrophobicContact CG2-CG 4.46Å; T63-L67 WeakPolarHBondContact O-CG 3.3Å; T63-L67 PolarHBondContact O-N 3.25Å; F64-L67 HydrophobicContact CD1-CD1 4.43Å; F64-L67 PolarHBondContact O-N 3.3Å
68	F	84.4	Confident	87.3	Confident	175 Å²	175	56.4 Å²	56.4	77%	0.768	29%	0.292	S	S	*	.	H	α-helix	trans	-78.9	-35.4	-178.2	-67.1	-56.7	0	0	0	113.6	F64 W66	F64-F68 HydrophobicContact CB-CD2 4.28Å; F64-F68 HydrophobicContact CB-CE2 4.09Å; F64-F68 HydrophobicContact CD1-CE2 4.44Å; F64-F68 WeakPolarHBondContact O-CD2 3.41Å; F64-F68 WeakPolarHBondContact O-CG 3.48Å; F64-F68 PolarHBondContact O-N 2.83Å; W66-F68 PolarHBondContact O-N 3.28Å
69	Q	84.1	Confident	87.5	Confident	81 Å²	81	62 Å²	62	38%	0.379	32%	0.315	S	S	.	.	H	α-helix	trans	-90.2	-16.5	-177.4	-64.2	-178.3	-11.7	0	0	113.5	H65 S71 N72 F73	H65-Q69 WeakPolarHBondContact O-CB 3.46Å; H65-Q69 WeakPolarHBondContact O-CG 3.3Å; H65-Q69 PolarHBondContact O-N 3.4Å; Q69-S71 PolarHBondContact O-N 2.94Å; Q69-N72 HydrophobicContact CB-CB 4.5Å; Q69-N72 WeakPolarHBondContact O-CB 3.49Å; Q69-N72 PolarHBondContact O-N 3.19Å; Q69-F73 HydrophobicContact CB-CB 4.03Å
70	G	80.8	Confident	88.1	Confident	33 Å²	33	63.8 Å²	63.8	34%	0.34	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-130	-178.7	0	0	0	0	0	112.3	W66 N72 F73	W66-G70 WeakPolarHBondContact O-CA 3.48Å; W66-G70 PolarHBondContact O-N 2.88Å; G70-N72 VanDerWaalsContact C-N 3.27Å; G70-N72 PolarHBondContact O-N 3.45Å; G70-F73 VanDerWaalsContact O-CB 3.24Å; G70-F73 WeakPolarHBondContact O-CB 3.4Å; G70-F73 PolarHBondContact O-N 2.91Å
71	S	75.3	Confident	88.5	Confident	43 Å²	43	63 Å²	63	30%	0.301	30%	0.304	S	S	.	.	H	α-helix	trans	-60.5	-32.9	179.4	50.3	0	0	0	0	113.5	Q69 F73 H74 I75	Q69-S71 PolarHBondContact O-N 2.94Å; S71-F73 PolarHBondContact O-N 3.35Å; S71-F73 VanDerWaalsContact O-N 3.16Å; S71-H74 PolarHBondContact O-N 2.92Å; S71-H74 VanDerWaalsContact O-N 3.09Å; S71-I75 PolarHBondContact O-N 2.69Å
72	N	84.9	Confident	88.5	Confident	101 Å²	101	64.3 Å²	64.3	54%	0.54	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-23	179.8	-66.1	-17.4	0	0	0	112.6	Q69 G70 S76	Q69-N72 HydrophobicContact CB-CB 4.5Å; Q69-N72 WeakPolarHBondContact O-CB 3.49Å; Q69-N72 PolarHBondContact O-N 3.19Å; G70-N72 VanDerWaalsContact C-N 3.27Å; G70-N72 PolarHBondContact O-N 3.45Å; N72-S76 WeakPolarHBondContact O-CB 3.31Å; N72-S76 PolarHBondContact O-N 3.49Å; N72-S76 PolarHBondContact O-OG 3.26Å
73	F	89.6	Confident	88.6	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-57	-51.2	172.4	178.4	-95.5	0	0	0	110.9	E62 H65 W66 Q69 G70 S71 S76 R77 L89	E62-F73 HydrophobicContact CB-CE2 3.78Å; E62-F73 HydrophobicContact CB-CZ 3.73Å; E62-F73 HydrophobicContact CG-CE2 4.48Å; E62-F73 HydrophobicContact CG-CZ 4.42Å; H65-F73 HydrophobicContact CB-CD2 3.97Å; H65-F73 HydrophobicContact CB-CE2 3.91Å; W66-F73 HydrophobicContact CB-CD1 4.05Å; W66-F73 HydrophobicContact CB-CD2 4.05Å; W66-F73 HydrophobicContact CB-CE1 4.25Å; W66-F73 HydrophobicContact CB-CE2 4.23Å; W66-F73 HydrophobicContact CB-CG 3.95Å; W66-F73 HydrophobicContact CB-CZ 4.34Å; W66-F73 AromaticContact CD1-CD1 3.65Å; W66-F73 HydrophobicContact CG-CD1 4.24Å; W66-F73 HydrophobicContact CG-CG 4.42Å; Q69-F73 HydrophobicContact CB-CB 4.03Å; G70-F73 VanDerWaalsContact O-CB 3.24Å; G70-F73 WeakPolarHBondContact O-CB 3.4Å; G70-F73 PolarHBondContact O-N 2.91Å; S71-F73 PolarHBondContact O-N 3.35Å; S71-F73 VanDerWaalsContact O-N 3.16Å; F73-S76 PolarHBondContact O-OG 2.88Å; F73-R77 VanDerWaalsContact CD2-CZ 3.46Å; F73-R77 WeakPolarHBondContact O-CD 3.48Å; F73-R77 PolarHBondContact O-N 2.88Å; F73-L89 HydrophobicContact CE1-CD1 4.29Å; F73-L89 HydrophobicContact CE1-CD2 4.31Å; F73-L89 HydrophobicContact CZ-CD2 4.16Å
74	H	88.7	Confident	89	Confident	10 Å²	10	66.2 Å²	66.2	5%	0.046	33%	0.328	C	S	.	.	H	α-helix	trans	-70.8	-38.6	-175.7	-63.5	-55.7	0	0	0	112.3	W66 S71 R77 R78 R96	W66-H74 AromaticContact CD1-CE1 3.74Å; W66-H74 AromaticContact CD1-NE2 3.5Å; W66-H74 AromaticContact NE1-CE1 3.77Å; W66-H74 AromaticContact NE1-NE2 3.19Å; W66-H74 PolarHBondContact NE1-NE2 3.44Å; W66-H74 VanDerWaalsContact NE1-NE2 3.19Å; S71-H74 PolarHBondContact O-N 2.92Å; S71-H74 VanDerWaalsContact O-N 3.09Å; H74-R77 PolarHBondContact O-N 2.91Å; H74-R78 WeakPolarHBondContact O-CB 3.17Å; H74-R78 PolarHBondContact O-N 2.99Å; H74-R96 PolarHBondContact CE1-NE 3.29Å; H74-R96 PolarHBondContact ND1-NE 3.28Å; H74-R96 VanDerWaalsContact ND1-NE 3.1Å
75	I	87.9	Confident	89.4	Confident	38 Å²	38	60.5 Å²	60.5	20%	0.195	30%	0.304	C	S	.	.	H	α-helix	trans	-60.9	-54.4	178	-61.7	172.7	0	0	0	110.2	S71 R77 R78 E79	S71-I75 PolarHBondContact O-N 2.69Å; I75-R77 VanDerWaalsContact C-N 3.3Å; I75-R77 PolarHBondContact O-N 3.43Å; I75-R78 WeakPolarHBondContact O-CB 3.31Å; I75-R78 PolarHBondContact O-N 3.09Å; I75-R78 VanDerWaalsContact O-N 3.11Å; I75-E79 WeakPolarHBondContact CG2-OE1 3.4Å; I75-E79 WeakPolarHBondContact O-CG 3.42Å; I75-E79 PolarHBondContact O-N 2.62Å
76	S	91.6	Very high	89.8	Confident	34 Å²	34	58.1 Å²	58.1	24%	0.238	29%	0.292	C	S	.	.	H	α-helix	trans	-60.4	-35.5	-178.5	59.3	0	0	0	0	113.7	N72 F73 R80	N72-S76 WeakPolarHBondContact O-CB 3.31Å; N72-S76 PolarHBondContact O-N 3.49Å; N72-S76 PolarHBondContact O-OG 3.26Å; F73-S76 PolarHBondContact O-OG 2.88Å; S76-R80 WeakPolarHBondContact O-CB 3.47Å; S76-R80 PolarHBondContact O-N 3.29Å
77	R	94.1	Very high	90.1	Very high	21 Å²	21	55.6 Å²	55.6	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-74.7	-37.7	176.7	-86	75.6	-177.8	166.1	-11.3	111.6	E62 F73 H74 I75 R80 H81 F85	E62-R77 IonicContact OE1-CZ 3.19Å; E62-R77 IonicContact OE1-NE 2.7Å; E62-R77 PolarHBondContact OE1-NE 3.02Å; E62-R77 IonicContact OE1-NH2 3.37Å; E62-R77 PolarHBondContact OE1-NH2 3.08Å; F73-R77 VanDerWaalsContact CD2-CZ 3.46Å; F73-R77 WeakPolarHBondContact O-CD 3.48Å; F73-R77 PolarHBondContact O-N 2.88Å; H74-R77 PolarHBondContact O-N 2.91Å; I75-R77 VanDerWaalsContact C-N 3.3Å; I75-R77 PolarHBondContact O-N 3.43Å; R77-R80 PolarHBondContact O-N 3.25Å; R77-H81 VanDerWaalsContact O-CB 3.25Å; R77-H81 WeakPolarHBondContact O-CB 3.42Å; R77-H81 PolarHBondContact O-CD2 3.48Å; R77-H81 PolarHBondContact O-N 3.47Å; R77-F85 HydrophobicContact CB-CD1 4.49Å; R77-F85 HydrophobicContact CB-CD2 4Å; R77-F85 HydrophobicContact CB-CE1 4.03Å; R77-F85 HydrophobicContact CB-CE2 3.49Å; R77-F85 VanDerWaalsContact CB-CE2 3.49Å; R77-F85 HydrophobicContact CB-CG 4.47Å; R77-F85 HydrophobicContact CB-CZ 3.5Å; R77-F85 VanDerWaalsContact CB-CZ 3.5Å; R77-F85 HydrophobicContact CG-CE2 4.06Å; R77-F85 HydrophobicContact CG-CZ 4.48Å
78	R	92.6	Very high	90.7	Very high	24 Å²	24	50.9 Å²	50.9	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-47.3	174.8	178.8	-176.8	60.4	-122.5	11.2	110.9	H74 I75 R80 H81 G82 F85 D434	H74-R78 WeakPolarHBondContact O-CB 3.17Å; H74-R78 PolarHBondContact O-N 2.99Å; I75-R78 WeakPolarHBondContact O-CB 3.31Å; I75-R78 PolarHBondContact O-N 3.09Å; I75-R78 VanDerWaalsContact O-N 3.11Å; R78-R80 PolarHBondContact O-N 3.3Å; R78-H81 PolarHBondContact O-N 3.17Å; R78-G82 CarbonylContact O-C 3.47Å; R78-G82 VanDerWaalsContact O-CA 3.26Å; R78-G82 WeakPolarHBondContact O-CA 3.47Å; R78-G82 PolarHBondContact O-N 3.14Å; R78-F85 HydrophobicContact CB-CE1 4.29Å; R78-D434 IonicContact CZ-OD1 3.56Å; R78-D434 IonicContact NH1-OD1 3.18Å; R78-D434 PolarHBondContact NH1-OD1 3.02Å; R78-D434 IonicContact NH1-OD2 2.81Å
79	E	92.2	Very high	91	Very high	152 Å²	152	43.2 Å²	43.2	71%	0.71	22%	0.224	S	C	*	.	H	α-helix	trans	-58.7	-37.8	177.1	-71.4	170.1	176.2	0	0	112.1	I75	I75-E79 WeakPolarHBondContact CG2-OE1 3.4Å; I75-E79 WeakPolarHBondContact O-CG 3.42Å; I75-E79 PolarHBondContact O-N 2.62Å
80	R	94.4	Very high	91	Very high	177 Å²	177	44.9 Å²	44.9	67%	0.668	24%	0.236	S	C	*	.	H	α-helix	trans	-80.9	-34	-179.3	-171	178.1	-70.2	162.4	-1.5	114.3	S76 R77 R78	S76-R80 WeakPolarHBondContact O-CB 3.47Å; S76-R80 PolarHBondContact O-N 3.29Å; R77-R80 PolarHBondContact O-N 3.25Å; R78-R80 PolarHBondContact O-N 3.3Å
81	H	94.7	Very high	91.2	Very high	40 Å²	40	45.5 Å²	45.5	19%	0.185	24%	0.242	C	C	.	.	H	α-helix	trans	-118.4	-9.2	-166.7	-58.7	-50.2	0	0	0	114.1	R52 R77 R78 F85	R52-H81 HydrophobicContact CB-CB 4.19Å; R77-H81 VanDerWaalsContact O-CB 3.25Å; R77-H81 WeakPolarHBondContact O-CB 3.42Å; R77-H81 PolarHBondContact O-CD2 3.48Å; R77-H81 PolarHBondContact O-N 3.47Å; R78-H81 PolarHBondContact O-N 3.17Å; H81-F85 HydrophobicContact CB-CB 3.56Å; H81-F85 HydrophobicContact CB-CG 4.26Å
82	G	93.6	Very high	91.8	Very high	33 Å²	33	49.1 Å²	49.1	34%	0.34	25%	0.252	S	S	.	.			trans	89.3	-168.5	-176.6	0	0	0	0	0	113.3	R78 V84	R78-G82 CarbonylContact O-C 3.47Å; R78-G82 VanDerWaalsContact O-CA 3.26Å; R78-G82 WeakPolarHBondContact O-CA 3.47Å; R78-G82 PolarHBondContact O-N 3.14Å; G82-V84 VanDerWaalsContact C-N 3.26Å; G82-V84 PolarHBondContact O-N 3.27Å
83	N	94.9	Very high	92.2	Very high	62 Å²	62	45.5 Å²	45.5	33%	0.332	23%	0.234	S	C	.	.	S	Bend	trans	-71.1	-19.2	-172.2	-72.3	-23.7	0	0	0	114.5	V97 T98	N83-V97 CarbonylContact O-C 3.55Å; N83-V97 WeakPolarHBondContact O-CA 3.16Å; N83-T98 VanDerWaalsContact CA-OG1 3.24Å; N83-T98 WeakPolarHBondContact CA-OG1 3.07Å; N83-T98 WeakPolarHBondContact CB-OG1 3.38Å; N83-T98 PolarHBondContact O-N 3.47Å; N83-T98 PolarHBondContact O-OG1 2.96Å; N83-T98 VanDerWaalsContact O-OG1 3.1Å; N83-T98 PolarHBondContact OD1-OG1 3.15Å
84	V	97.1	Very high	92.4	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	112.2	-179.7	-177.7	0	0	0	0	108.7	P51 G82 I95 R96 V97 L417 D418 Y420 I422	P51-V84 HydrophobicContact CB-CG1 4.14Å; P51-V84 HydrophobicContact CG-CG1 3.92Å; G82-V84 VanDerWaalsContact C-N 3.26Å; G82-V84 PolarHBondContact O-N 3.27Å; V84-I95 HydrophobicContact CG1-CG2 3.92Å; V84-R96 WeakPolarHBondContact CA-O 3.47Å; V84-V97 HydrophobicContact CG2-CG1 4.38Å; V84-L417 HydrophobicContact CG1-CB 4.21Å; V84-L417 HydrophobicContact CG2-CB 4Å; V84-D418 HydrophobicContact CB-CB 4.46Å; V84-D418 HydrophobicContact CG2-CB 3.96Å; V84-D418 WeakPolarHBondContact CG2-OD2 3.39Å; V84-Y420 HydrophobicContact CB-CD2 4.37Å; V84-Y420 HydrophobicContact CG1-CD2 4.38Å; V84-I422 HydrophobicContact CG1-CD1 4.1Å
85	F	97.1	Very high	92.8	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.7	179.9	70.4	-94.4	0	0	0	112.6	R52 R77 R78 H81 T87 I95 R96	R52-F85 CarbonylContact O-C 3.5Å; R52-F85 WeakPolarHBondContact O-CA 3.49Å; R52-F85 VanDerWaalsContact O-CB 3.24Å; R52-F85 WeakPolarHBondContact O-CB 3.28Å; R77-F85 HydrophobicContact CB-CD1 4.49Å; R77-F85 HydrophobicContact CB-CD2 4Å; R77-F85 HydrophobicContact CB-CE1 4.03Å; R77-F85 HydrophobicContact CB-CE2 3.49Å; R77-F85 VanDerWaalsContact CB-CE2 3.49Å; R77-F85 HydrophobicContact CB-CG 4.47Å; R77-F85 HydrophobicContact CB-CZ 3.5Å; R77-F85 VanDerWaalsContact CB-CZ 3.5Å; R77-F85 HydrophobicContact CG-CE2 4.06Å; R77-F85 HydrophobicContact CG-CZ 4.48Å; R78-F85 HydrophobicContact CB-CE1 4.29Å; H81-F85 HydrophobicContact CB-CB 3.56Å; H81-F85 HydrophobicContact CB-CG 4.26Å; F85-T87 HydrophobicContact CE2-CG2 4.49Å; F85-I95 CarbonylContact O-C 3.59Å; F85-I95 WeakPolarHBondContact O-CA 3.34Å; F85-R96 HydrophobicContact CD1-CB 4Å; F85-R96 HydrophobicContact CD2-CB 4.19Å; F85-R96 HydrophobicContact CE1-CB 3.52Å; F85-R96 HydrophobicContact CE1-CG 4.27Å; F85-R96 HydrophobicContact CE2-CB 3.73Å; F85-R96 HydrophobicContact CE2-CG 3.77Å; F85-R96 HydrophobicContact CG-CB 4.31Å; F85-R96 HydrophobicContact CZ-CB 3.38Å; F85-R96 HydrophobicContact CZ-CG 3.61Å; F85-R96 PolarHBondContact N-O 3.15Å; F85-R96 VanDerWaalsContact N-O 3.08Å; F85-R96 PolarHBondContact O-N 3.45Å
86	K	96.6	Very high	93.2	Very high	36 Å²	36	43.7 Å²	43.7	16%	0.157	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	146	175.8	69.3	179.2	176.7	154.9	0	111.8	P51 R52 G53 S54 M55 L94 I95 W426	P51-K86 HydrophobicContact CB-CB 4.33Å; P51-K86 WeakPolarHBondContact O-CD 3.38Å; P51-K86 VanDerWaalsContact O-CE 3.29Å; P51-K86 WeakPolarHBondContact O-CE 3.44Å; P51-K86 VanDerWaalsContact O-CG 3.28Å; P51-K86 WeakPolarHBondContact O-CG 3.24Å; R52-K86 PolarHBondContact O-N 3.02Å; G53-K86 CarbonylContact C-O 3.56Å; G53-K86 WeakPolarHBondContact CA-O 3.38Å; G53-K86 WeakPolarHBondContact O-CE 3.4Å; S54-K86 PolarHBondContact N-O 3.47Å; M55-K86 HydrophobicContact CG-CD 4.42Å; M55-K86 HydrophobicContact SD-CB 4.27Å; M55-K86 HydrophobicContact SD-CD 3.94Å; M55-K86 HydrophobicContact SD-CG 4.11Å; K86-L94 CarbonylContact C-O 3.52Å; K86-L94 WeakPolarHBondContact CA-O 3.29Å; K86-I95 HydrophobicContact CB-CD1 3.51Å; K86-W426 HydrophobicContact CB-CZ3 4.1Å
87	T	95.6	Very high	93.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	177.6	169.6	-170.7	0	0	0	0	110.3	S54 E62 F85 L89 L94 R96	S54-T87 VanDerWaalsContact O-CA 3.3Å; S54-T87 WeakPolarHBondContact O-CA 3.25Å; E62-T87 PolarHBondContact OE2-OG1 2.91Å; F85-T87 HydrophobicContact CE2-CG2 4.49Å; T87-L89 HydrophobicContact CG2-CD1 4.12Å; T87-L89 HydrophobicContact CG2-CG 3.95Å; T87-L94 HydrophobicContact CG2-CB 4.06Å; T87-L94 HydrophobicContact CG2-CD2 4.15Å; T87-L94 HydrophobicContact CG2-CG 4.38Å; T87-L94 PolarHBondContact N-O 2.92Å; T87-L94 PolarHBondContact O-N 3.45Å; T87-L94 VanDerWaalsContact O-O 3.09Å; T87-R96 HydrophobicContact CG2-CG 4.38Å
88	H	94.1	Very high	93.5	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.023	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	110	174.9	-172.8	-88.2	0	0	0	108.9	W34 W38 M55 L59 G61 E62 G91 K92	W34-H88 AromaticContact CH2-NE2 3.92Å; W38-H88 AromaticContact CH2-CD2 3.97Å; W38-H88 AromaticContact CZ2-CD2 3.47Å; W38-H88 VanDerWaalsContact CZ2-CD2 3.47Å; W38-H88 WeakPolarHBondContact CZ2-CD2 3.46Å; W38-H88 AromaticContact CZ2-NE2 3.58Å; M55-H88 HydrophobicContact CB-CB 4.42Å; M55-H88 HydrophobicContact CE-CB 3.93Å; M55-H88 WeakPolarHBondContact O-CB 3.26Å; M55-H88 HydrophobicContact SD-CB 4.47Å; L59-H88 PolarHBondContact O-CE1 2.92Å; G61-H88 CarbonylContact C-O 3.59Å; G61-H88 WeakPolarHBondContact CA-ND1 3.34Å; G61-H88 WeakPolarHBondContact CA-O 3.38Å; E62-H88 PolarHBondContact N-O 3.19Å; H88-G91 VanDerWaalsContact CE1-CA 3.49Å; H88-G91 WeakPolarHBondContact CE1-CA 3.33Å; H88-K92 WeakPolarHBondContact CA-O 3.22Å; H88-K92 VanDerWaalsContact CD2-C 3.43Å; H88-K92 PolarHBondContact CD2-O 2.9Å
89	L	90.4	Very high	93.6	Very high	13 Å²	13	40.5 Å²	40.5	7%	0.068	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.8	-176.6	-62.5	-179.6	0	0	0	109.5	E62 W66 F73 T87 G91 K92 L94	E62-L89 HydrophobicContact CB-CD2 4.12Å; W66-L89 HydrophobicContact CB-CD2 3.71Å; W66-L89 HydrophobicContact CD2-CD1 4.47Å; W66-L89 HydrophobicContact CG-CD1 4.16Å; W66-L89 HydrophobicContact CG-CD2 4.13Å; F73-L89 HydrophobicContact CE1-CD1 4.29Å; F73-L89 HydrophobicContact CE1-CD2 4.31Å; F73-L89 HydrophobicContact CZ-CD2 4.16Å; T87-L89 HydrophobicContact CG2-CD1 4.12Å; T87-L89 HydrophobicContact CG2-CG 3.95Å; L89-G91 PolarHBondContact O-N 2.93Å; L89-K92 PolarHBondContact N-O 3.21Å; L89-K92 PolarHBondContact O-N 3.39Å; L89-L94 HydrophobicContact CD1-CD2 3.84Å; L89-L94 HydrophobicContact CG-CD2 4.41Å
90	L	85.4	Confident	93.7	Very high	117 Å²	117	34 Å²	34	61%	0.613	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	41	176	-55.1	172.5	0	0	0	112.8	T63 W66 K92	T63-L90 HydrophobicContact CG2-CD2 3.66Å; T63-L90 HydrophobicContact CG2-CG 4.39Å; T63-L90 PolarHBondContact OG1-N 2.94Å; W66-L90 HydrophobicContact CZ3-CD2 4.37Å; L90-K92 VanDerWaalsContact C-N 3.3Å; L90-K92 PolarHBondContact O-N 3.45Å
91	G	84.6	Confident	93.7	Very high	46 Å²	46	30.5 Å²	30.5	47%	0.474	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	8.4	178.3	0	0	0	0	0	115.4	H88 L89	H88-G91 VanDerWaalsContact CE1-CA 3.49Å; H88-G91 WeakPolarHBondContact CE1-CA 3.33Å; L89-G91 PolarHBondContact O-N 2.93Å
92	K	87.1	Confident	93.8	Very high	119 Å²	119	29.1 Å²	29.1	52%	0.517	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.3	-177.1	-65.8	-172.5	179.6	-177.3	0	113	H88 L89 L90	H88-K92 WeakPolarHBondContact CA-O 3.22Å; H88-K92 VanDerWaalsContact CD2-C 3.43Å; H88-K92 PolarHBondContact CD2-O 2.9Å; L89-K92 PolarHBondContact N-O 3.21Å; L89-K92 PolarHBondContact O-N 3.39Å; L90-K92 VanDerWaalsContact C-N 3.3Å; L90-K92 PolarHBondContact O-N 3.45Å
93	P	92.8	Very high	93.9	Very high	24 Å²	24	27.6 Å²	27.6	16%	0.156	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	133.8	169.1	31.4	-35	0	0	0	110	W38 M55 W426 S427	W38-P93 HydrophobicContact CE3-CB 4.4Å; W38-P93 HydrophobicContact CH2-CB 4.05Å; W38-P93 HydrophobicContact CH2-CG 3.99Å; W38-P93 HydrophobicContact CZ3-CB 3.81Å; W38-P93 HydrophobicContact CZ3-CG 3.8Å; M55-P93 HydrophobicContact CE-CB 3.73Å; P93-W426 HydrophobicContact CB-CD2 3.85Å; P93-W426 HydrophobicContact CB-CE3 3.72Å; P93-W426 HydrophobicContact CB-CH2 4.09Å; P93-W426 HydrophobicContact CB-CZ2 4.2Å; P93-W426 HydrophobicContact CB-CZ3 3.84Å; P93-W426 HydrophobicContact CG-CD2 4.26Å; P93-W426 HydrophobicContact CG-CG 4.48Å; P93-S427 WeakPolarHBondContact O-CB 3.45Å; P93-S427 PolarHBondContact O-N 3.21Å
94	L	94.8	Very high	93.9	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	130.9	-174.9	-178.3	68.1	0	0	0	110.5	K86 T87 L89 R96 Y408 S427 M429	K86-L94 CarbonylContact C-O 3.52Å; K86-L94 WeakPolarHBondContact CA-O 3.29Å; T87-L94 HydrophobicContact CG2-CB 4.06Å; T87-L94 HydrophobicContact CG2-CD2 4.15Å; T87-L94 HydrophobicContact CG2-CG 4.38Å; T87-L94 PolarHBondContact N-O 2.92Å; T87-L94 PolarHBondContact O-N 3.45Å; T87-L94 VanDerWaalsContact O-O 3.09Å; L89-L94 HydrophobicContact CD1-CD2 3.84Å; L89-L94 HydrophobicContact CG-CD2 4.41Å; L94-R96 HydrophobicContact CD2-CG 4.34Å; L94-Y408 HydrophobicContact CD1-CD1 4.2Å; L94-Y408 HydrophobicContact CD1-CE1 4.16Å; L94-Y408 HydrophobicContact CD2-CE1 4.42Å; L94-S427 CarbonylContact C-O 3.6Å; L94-S427 WeakPolarHBondContact CA-O 3.02Å; L94-M429 HydrophobicContact CD1-CB 3.77Å; L94-M429 HydrophobicContact CD2-CB 4.28Å; L94-M429 HydrophobicContact CD2-SD 4.39Å; L94-M429 HydrophobicContact CG-CB 4.35Å
95	I	97.3	Very high	94	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122	165.4	-53.8	-52.4	0	0	0	108.5	P51 V84 F85 K86 V97 I422 W426 S427 V428 M429	P51-I95 HydrophobicContact CB-CD1 4.45Å; P51-I95 HydrophobicContact CG-CD1 3.96Å; P51-I95 HydrophobicContact CG-CG2 4.32Å; V84-I95 HydrophobicContact CG1-CG2 3.92Å; F85-I95 CarbonylContact O-C 3.59Å; F85-I95 WeakPolarHBondContact O-CA 3.34Å; K86-I95 HydrophobicContact CB-CD1 3.51Å; I95-V97 HydrophobicContact CG2-CG2 3.73Å; I95-I422 HydrophobicContact CG1-CD1 4.32Å; I95-I422 HydrophobicContact CG1-CG2 4.28Å; I95-I422 HydrophobicContact CG2-CD1 3.92Å; I95-W426 HydrophobicContact CD1-CE3 3.43Å; I95-W426 VanDerWaalsContact CD1-CE3 3.43Å; I95-W426 HydrophobicContact CD1-CZ3 3.52Å; I95-W426 HydrophobicContact CG1-CE3 3.84Å; I95-W426 HydrophobicContact CG1-CZ3 4.42Å; I95-S427 PolarHBondContact N-O 3.1Å; I95-V428 HydrophobicContact CB-CG2 4.44Å; I95-V428 CarbonylContact O-C 3.15Å; I95-V428 WeakPolarHBondContact O-CA 3.49Å; I95-M429 PolarHBondContact O-N 2.8Å
96	R	96.3	Very high	94	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.015	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	132.2	169	-71.4	-69.6	-78.5	100.5	5.9	108.8	H74 V84 F85 T87 L94 M429 D434	H74-R96 PolarHBondContact CE1-NE 3.29Å; H74-R96 PolarHBondContact ND1-NE 3.28Å; H74-R96 VanDerWaalsContact ND1-NE 3.1Å; V84-R96 WeakPolarHBondContact CA-O 3.47Å; F85-R96 HydrophobicContact CD1-CB 4Å; F85-R96 HydrophobicContact CD2-CB 4.19Å; F85-R96 HydrophobicContact CE1-CB 3.52Å; F85-R96 HydrophobicContact CE1-CG 4.27Å; F85-R96 HydrophobicContact CE2-CB 3.73Å; F85-R96 HydrophobicContact CE2-CG 3.77Å; F85-R96 HydrophobicContact CG-CB 4.31Å; F85-R96 HydrophobicContact CZ-CB 3.38Å; F85-R96 HydrophobicContact CZ-CG 3.61Å; F85-R96 PolarHBondContact N-O 3.15Å; F85-R96 VanDerWaalsContact N-O 3.08Å; F85-R96 PolarHBondContact O-N 3.45Å; T87-R96 HydrophobicContact CG2-CG 4.38Å; L94-R96 HydrophobicContact CD2-CG 4.34Å; R96-M429 WeakPolarHBondContact CA-O 3.48Å; R96-M429 WeakPolarHBondContact CD-SD 3.37Å; R96-M429 PolarHBondContact NH1-O 3.23Å; R96-D434 IonicContact CZ-OD2 3.91Å; R96-D434 IonicContact NH2-OD2 3.96Å; R96-D434 PolarHBondContact NH2-OD2 3.22Å
97	V	97.2	Very high	94	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.7	-175.5	-177.5	0	0	0	0	110.5	N83 V84 I95 N102 I106 L417 V428 M429 Y430 S431	N83-V97 CarbonylContact O-C 3.55Å; N83-V97 WeakPolarHBondContact O-CA 3.16Å; V84-V97 HydrophobicContact CG2-CG1 4.38Å; I95-V97 HydrophobicContact CG2-CG2 3.73Å; V97-N102 HydrophobicContact CG1-CB 3.45Å; V97-N102 VanDerWaalsContact CG1-CB 3.45Å; V97-I106 HydrophobicContact CB-CD1 3.71Å; V97-I106 HydrophobicContact CG1-CD1 3.52Å; V97-I106 HydrophobicContact CG2-CD1 3.86Å; V97-L417 HydrophobicContact CG1-CD1 4.02Å; V97-L417 HydrophobicContact CG2-CD1 3.73Å; V97-V428 HydrophobicContact CB-CG1 4.47Å; V97-V428 HydrophobicContact CG2-CG1 3.69Å; V97-M429 PolarHBondContact N-O 2.96Å; V97-Y430 CarbonylContact O-C 3.57Å; V97-Y430 VanDerWaalsContact O-CA 3.28Å; V97-Y430 WeakPolarHBondContact O-CA 3.1Å; V97-S431 PolarHBondContact O-N 3.26Å
98	T	95.5	Very high	94.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	18%	0.18	C	C	.	.			trans	-141.1	167.5	178.5	63.8	0	0	0	0	109.6	N83 N102 D434	N83-T98 VanDerWaalsContact CA-OG1 3.24Å; N83-T98 WeakPolarHBondContact CA-OG1 3.07Å; N83-T98 WeakPolarHBondContact CB-OG1 3.38Å; N83-T98 PolarHBondContact O-N 3.47Å; N83-T98 PolarHBondContact O-OG1 2.96Å; N83-T98 VanDerWaalsContact O-OG1 3.1Å; N83-T98 PolarHBondContact OD1-OG1 3.15Å; T98-N102 WeakPolarHBondContact O-CB 3.4Å; T98-N102 PolarHBondContact O-ND2 3Å; T98-D434 HydrophobicContact CG2-CB 3.51Å
99	G	94.1	Very high	94.2	Very high	11 Å²	11	34.3 Å²	34.3	11%	0.113	18%	0.182	C	C	.	.	S	Bend	trans	92.5	142	178.9	0	0	0	0	0	112.9	E101 N102 I103 T435	G99-E101 PolarHBondContact O-N 3.45Å; G99-N102 PolarHBondContact O-N 3.41Å; G99-I103 WeakPolarHBondContact O-CG1 3.23Å; G99-I103 PolarHBondContact O-N 2.67Å; G99-T435 PolarHBondContact N-OG1 3.31Å
100	A	94.1	Very high	94.4	Very high	14 Å²	14	34.3 Å²	34.3	12%	0.116	18%	0.182	C	C	.	.	H	α-helix	trans	-56.2	-49.9	-168.1	0	0	0	0	0	113.3	I103 R104 F465	A100-I103 PolarHBondContact O-N 3.14Å; A100-R104 WeakPolarHBondContact O-CB 3.44Å; A100-R104 PolarHBondContact O-N 3.32Å; A100-F465 HydrophobicContact CB-CB 4.42Å
101	E	94.8	Very high	94.8	Very high	105 Å²	105	31.6 Å²	31.6	49%	0.491	17%	0.166	S	C	.	.	H	α-helix	trans	-69	-37.9	-178.4	-74.9	-55.6	130.3	0	0	113.3	G99 R104 K105	G99-E101 PolarHBondContact O-N 3.45Å; E101-R104 WeakPolarHBondContact O-CB 3.46Å; E101-R104 PolarHBondContact O-N 3.26Å; E101-R104 IonicContact OE2-NH1 3.2Å; E101-K105 PolarHBondContact O-N 2.96Å
102	N	96.3	Very high	95.3	Very high	11 Å²	11	34 Å²	34	6%	0.059	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-47	176.8	-71.3	-42.8	0	0	0	111.5	V97 T98 G99 R104 K105 I106 L417 D418	V97-N102 HydrophobicContact CG1-CB 3.45Å; V97-N102 VanDerWaalsContact CG1-CB 3.45Å; T98-N102 WeakPolarHBondContact O-CB 3.4Å; T98-N102 PolarHBondContact O-ND2 3Å; G99-N102 PolarHBondContact O-N 3.41Å; N102-R104 VanDerWaalsContact C-N 3.34Å; N102-K105 PolarHBondContact O-N 3.19Å; N102-I106 WeakPolarHBondContact O-CG1 3.38Å; N102-I106 PolarHBondContact O-N 3.41Å; N102-I106 VanDerWaalsContact O-N 3.09Å; N102-L417 HydrophobicContact CB-CD2 4.24Å; N102-D418 PolarHBondContact ND2-OD1 2.85Å; N102-D418 PolarHBondContact ND2-OD2 3.38Å; N102-D418 PolarHBondContact OD1-OD1 2.87Å; N102-D418 VanDerWaalsContact OD1-OD1 3.12Å
103	I	95.9	Very high	95.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.2	-39.6	177.7	-66.4	-161.8	0	0	0	110.6	G99 A100 K105 I106 L107 Y430 S431 T435	G99-I103 WeakPolarHBondContact O-CG1 3.23Å; G99-I103 PolarHBondContact O-N 2.67Å; A100-I103 PolarHBondContact O-N 3.14Å; I103-K105 VanDerWaalsContact C-N 3.33Å; I103-K105 PolarHBondContact O-N 2.89Å; I103-I106 PolarHBondContact O-N 3.04Å; I103-L107 HydrophobicContact CG2-CD1 3.34Å; I103-L107 HydrophobicContact CG2-CG 3.77Å; I103-L107 WeakPolarHBondContact O-CB 3.46Å; I103-L107 VanDerWaalsContact O-CG 3.28Å; I103-L107 WeakPolarHBondContact O-CG 3.31Å; I103-L107 PolarHBondContact O-N 2.84Å; I103-Y430 HydrophobicContact CD1-CD2 4.2Å; I103-Y430 HydrophobicContact CG2-CD2 4.21Å; I103-S431 WeakPolarHBondContact CD1-O 3.37Å; I103-T435 HydrophobicContact CD1-CG2 4.4Å; I103-T435 WeakPolarHBondContact CD1-OG1 3.28Å
104	R	96.1	Very high	96	Very high	69 Å²	69	28.4 Å²	28.4	26%	0.26	14%	0.142	S	C	.	.	H	α-helix	trans	-53.2	-50	172.2	176.6	174.2	178.9	-82.8	-10	111.2	A100 E101 N102 I106 L107 L108 F465	A100-R104 WeakPolarHBondContact O-CB 3.44Å; A100-R104 PolarHBondContact O-N 3.32Å; E101-R104 WeakPolarHBondContact O-CB 3.46Å; E101-R104 PolarHBondContact O-N 3.26Å; E101-R104 IonicContact OE2-NH1 3.2Å; N102-R104 VanDerWaalsContact C-N 3.34Å; R104-I106 VanDerWaalsContact C-N 3.34Å; R104-I106 PolarHBondContact O-N 3.38Å; R104-L107 PolarHBondContact O-N 3.19Å; R104-L108 HydrophobicContact CG-CD1 3.69Å; R104-L108 HydrophobicContact CG-CG 4.3Å; R104-L108 VanDerWaalsContact O-CB 3.26Å; R104-L108 WeakPolarHBondContact O-CB 3.21Å; R104-L108 VanDerWaalsContact O-CG 3.29Å; R104-L108 WeakPolarHBondContact O-CG 3.44Å; R104-L108 PolarHBondContact O-N 3.33Å; R104-F465 HydrophobicContact CB-CB 3.96Å; R104-F465 HydrophobicContact CB-CD1 3.94Å; R104-F465 HydrophobicContact CB-CD2 3.7Å; R104-F465 HydrophobicContact CB-CE1 4.37Å; R104-F465 HydrophobicContact CB-CE2 4.17Å; R104-F465 HydrophobicContact CB-CG 3.6Å; R104-F465 HydrophobicContact CB-CZ 4.48Å; R104-F465 HydrophobicContact CG-CD1 4.38Å; R104-F465 HydrophobicContact CG-CD2 3.52Å; R104-F465 HydrophobicContact CG-CE1 4.41Å; R104-F465 HydrophobicContact CG-CE2 3.59Å; R104-F465 HydrophobicContact CG-CG 3.96Å; R104-F465 HydrophobicContact CG-CZ 4.05Å
105	K	97.4	Very high	96	Very high	83 Å²	83	29.1 Å²	29.1	36%	0.361	15%	0.147	S	C	.	.	H	α-helix	trans	-61.3	-41	179.1	-171.2	169.1	-176.7	176.9	0	112.3	E101 N102 I103 G109 L113 E416 L417	E101-K105 PolarHBondContact O-N 2.96Å; N102-K105 PolarHBondContact O-N 3.19Å; I103-K105 VanDerWaalsContact C-N 3.33Å; I103-K105 PolarHBondContact O-N 2.89Å; K105-G109 WeakPolarHBondContact O-CA 3.3Å; K105-G109 PolarHBondContact O-N 3.33Å; K105-L113 HydrophobicContact CG-CD1 3.83Å; K105-E416 VanDerWaalsContact CE-O 3.29Å; K105-E416 WeakPolarHBondContact CE-O 3.24Å; K105-E416 PolarHBondContact NZ-O 3.42Å; K105-L417 HydrophobicContact CB-CD2 4.17Å; K105-L417 HydrophobicContact CD-CD2 3.86Å; K105-L417 HydrophobicContact CG-CD2 4.31Å
106	I	97.6	Very high	95.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.6	-51.9	177	-68.3	169.6	0	0	0	111.3	V97 N102 I103 R104 G109 E110 V114 R409 L417 V428 Y430	V97-I106 HydrophobicContact CB-CD1 3.71Å; V97-I106 HydrophobicContact CG1-CD1 3.52Å; V97-I106 HydrophobicContact CG2-CD1 3.86Å; N102-I106 WeakPolarHBondContact O-CG1 3.38Å; N102-I106 PolarHBondContact O-N 3.41Å; N102-I106 VanDerWaalsContact O-N 3.09Å; I103-I106 PolarHBondContact O-N 3.04Å; R104-I106 VanDerWaalsContact C-N 3.34Å; R104-I106 PolarHBondContact O-N 3.38Å; I106-G109 PolarHBondContact O-N 3.36Å; I106-G109 VanDerWaalsContact O-N 3.14Å; I106-E110 PolarHBondContact O-N 3.3Å; I106-V114 HydrophobicContact CG2-CG2 4.14Å; I106-V114 VanDerWaalsContact O-CG2 3.24Å; I106-V114 WeakPolarHBondContact O-CG2 3.35Å; I106-R409 HydrophobicContact CG2-CG 3.98Å; I106-L417 HydrophobicContact CD1-CD1 4Å; I106-L417 HydrophobicContact CG1-CD1 4.26Å; I106-V428 HydrophobicContact CD1-CG1 3.61Å; I106-V428 HydrophobicContact CG1-CG1 4.44Å; I106-Y430 HydrophobicContact CG2-CD1 3.99Å
107	L	96.9	Very high	95.6	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-67.5	-38.8	-174.1	-68.5	178.1	0	0	0	112.3	I103 R104 G109 Y430 F465	I103-L107 HydrophobicContact CG2-CD1 3.34Å; I103-L107 HydrophobicContact CG2-CG 3.77Å; I103-L107 WeakPolarHBondContact O-CB 3.46Å; I103-L107 VanDerWaalsContact O-CG 3.28Å; I103-L107 WeakPolarHBondContact O-CG 3.31Å; I103-L107 PolarHBondContact O-N 2.84Å; R104-L107 PolarHBondContact O-N 3.19Å; L107-G109 VanDerWaalsContact C-N 3.3Å; L107-Y430 HydrophobicContact CD2-CD1 4.41Å; L107-Y430 HydrophobicContact CD2-CD2 4.42Å; L107-Y430 HydrophobicContact CD2-CE1 3.88Å; L107-Y430 HydrophobicContact CD2-CE2 3.9Å; L107-F465 HydrophobicContact CB-CE1 4.18Å; L107-F465 HydrophobicContact CD1-CD1 4.05Å; L107-F465 HydrophobicContact CD1-CE1 4.03Å
108	L	96.9	Very high	95.2	Very high	88 Å²	88	34.8 Å²	34.8	46%	0.461	17%	0.172	S	C	.	.	H	α-helix	trans	-77	-19	173.9	-62.7	-177.1	0	0	0	112.7	R104 E110 F465	R104-L108 HydrophobicContact CG-CD1 3.69Å; R104-L108 HydrophobicContact CG-CG 4.3Å; R104-L108 VanDerWaalsContact O-CB 3.26Å; R104-L108 WeakPolarHBondContact O-CB 3.21Å; R104-L108 VanDerWaalsContact O-CG 3.29Å; R104-L108 WeakPolarHBondContact O-CG 3.44Å; R104-L108 PolarHBondContact O-N 3.33Å; L108-E110 VanDerWaalsContact C-N 3.33Å; L108-F465 HydrophobicContact CD1-CE2 4.27Å; L108-F465 HydrophobicContact CD1-CZ 4.1Å; L108-F465 HydrophobicContact CD2-CZ 3.87Å; L108-F465 HydrophobicContact CG-CZ 3.87Å
109	G	96.5	Very high	94.9	Very high	6 Å²	6	37.2 Å²	37.2	6%	0.062	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	3.2	178.8	0	0	0	0	0	115	K105 I106 L107 N112 L113 V114	K105-G109 WeakPolarHBondContact O-CA 3.3Å; K105-G109 PolarHBondContact O-N 3.33Å; I106-G109 PolarHBondContact O-N 3.36Å; I106-G109 VanDerWaalsContact O-N 3.14Å; L107-G109 VanDerWaalsContact C-N 3.3Å; G109-N112 CarbonylContact O-C 3.53Å; G109-N112 PolarHBondContact O-N 3.48Å; G109-N112 VanDerWaalsContact O-N 3.09Å; G109-L113 PolarHBondContact O-N 2.9Å; G109-V114 PolarHBondContact O-N 3.47Å; G109-V114 VanDerWaalsContact O-N 3.09Å
110	E	96	Very high	94.8	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.056	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-57.5	138.2	177.9	-178.6	75.2	-167.9	0	0	111.7	I106 L108 N112 V114 T116 R409 V474 R475	I106-E110 PolarHBondContact O-N 3.3Å; L108-E110 VanDerWaalsContact C-N 3.33Å; E110-N112 PolarHBondContact O-N 3.01Å; E110-V114 CarbonylContact C-O 3.52Å; E110-V114 WeakPolarHBondContact CA-O 3.32Å; E110-T116 PolarHBondContact OE1-N 3.41Å; E110-T116 PolarHBondContact OE1-OG1 3.28Å; E110-T116 VanDerWaalsContact OE1-OG1 3.05Å; E110-T116 PolarHBondContact OE2-N 3.22Å; E110-R409 VanDerWaalsContact OE2-CD 3.28Å; E110-R409 WeakPolarHBondContact OE2-CD 3.48Å; E110-R409 IonicContact OE2-CZ 3.93Å; E110-R409 IonicContact OE2-NE 3.9Å; E110-R409 PolarHBondContact OE2-NE 2.86Å; E110-V474 HydrophobicContact CB-CG2 3.71Å; E110-V474 HydrophobicContact CG-CG2 3.6Å; E110-R475 HydrophobicContact CB-CG 4.5Å; E110-R475 HydrophobicContact CG-CG 3.68Å; E110-R475 IonicContact OE1-CZ 2.85Å; E110-R475 IonicContact OE1-NE 2.71Å; E110-R475 PolarHBondContact OE1-NE 3.05Å; E110-R475 IonicContact OE1-NH2 2.7Å; E110-R475 PolarHBondContact OE1-NH2 3.35Å
111	H	93.1	Very high	94.7	Very high	61 Å²	61	42 Å²	42	28%	0.282	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	1.6	-173.2	-49.4	-45.7	0	0	0	115.6	V114 G136 H139	H111-V114 PolarHBondContact N-O 2.85Å; H111-G136 PolarHBondContact CE1-N 2.91Å; H111-G136 PolarHBondContact ND1-N 3.32Å; H111-H139 AromaticContact CE1-ND1 3.9Å; H111-H139 AromaticContact NE2-CE1 4Å; H111-H139 AromaticContact NE2-CG 3.97Å; H111-H139 AromaticContact NE2-ND1 3.19Å; H111-H139 PolarHBondContact NE2-ND1 2.92Å; H111-H139 VanDerWaalsContact NE2-ND1 3.19Å
112	N	94.8	Very high	94.6	Very high	96 Å²	96	37 Å²	37	51%	0.513	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-63	177.6	179.9	10.9	0	0	0	112.7	G109 E110 K413	G109-N112 CarbonylContact O-C 3.53Å; G109-N112 PolarHBondContact O-N 3.48Å; G109-N112 VanDerWaalsContact O-N 3.09Å; E110-N112 PolarHBondContact O-N 3.01Å; N112-K413 WeakPolarHBondContact OD1-CE 3.34Å; N112-K413 PolarHBondContact OD1-NZ 2.94Å
113	L	96.8	Very high	94.5	Very high	25 Å²	25	42 Å²	42	13%	0.131	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-41.1	174.5	-57.7	-173.1	0	0	0	110.9	K105 G109 L412 F415	K105-L113 HydrophobicContact CG-CD1 3.83Å; G109-L113 PolarHBondContact O-N 2.9Å; L113-L412 PolarHBondContact O-N 3.22Å; L113-F415 HydrophobicContact CB-CD1 4.31Å; L113-F415 HydrophobicContact CB-CE1 4.49Å; L113-F415 HydrophobicContact CD1-CD2 4.33Å; L113-F415 HydrophobicContact CD1-CG 4.47Å; L113-F415 HydrophobicContact CD2-CB 4.26Å
114	V	97.3	Very high	94.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	161.9	-172	-64	0	0	0	0	111.9	I106 G109 E110 H111 R409 T410 F415	I106-V114 HydrophobicContact CG2-CG2 4.14Å; I106-V114 VanDerWaalsContact O-CG2 3.24Å; I106-V114 WeakPolarHBondContact O-CG2 3.35Å; G109-V114 PolarHBondContact O-N 3.47Å; G109-V114 VanDerWaalsContact O-N 3.09Å; E110-V114 CarbonylContact C-O 3.52Å; E110-V114 WeakPolarHBondContact CA-O 3.32Å; H111-V114 PolarHBondContact N-O 2.85Å; V114-R409 HydrophobicContact CB-CB 3.98Å; V114-R409 HydrophobicContact CB-CG 4.29Å; V114-R409 HydrophobicContact CG1-CB 4.32Å; V114-R409 HydrophobicContact CG2-CB 4.37Å; V114-R409 HydrophobicContact CG2-CG 4.12Å; V114-T410 CarbonylContact C-O 3.57Å; V114-T410 VanDerWaalsContact CA-O 3.24Å; V114-T410 WeakPolarHBondContact CA-O 3.42Å; V114-F415 HydrophobicContact CG1-CE1 3.85Å; V114-F415 HydrophobicContact CG1-CZ 3.84Å
115	C	95.8	Very high	94.4	Very high	22 Å²	22	41.6 Å²	41.6	15%	0.149	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.9	170.5	179.5	0	0	0	0	110.4	Q117 V135 R409 T410 L412	C115-Q117 PolarHBondContact O-N 3.31Å; C115-V135 WeakPolarHBondContact SG-CG1 3.19Å; C115-R409 VanDerWaalsContact C-CD 3.49Å; C115-R409 CarbonylContact O-C 3.58Å; C115-R409 VanDerWaalsContact O-CA 3.25Å; C115-R409 WeakPolarHBondContact O-CA 3.41Å; C115-R409 WeakPolarHBondContact O-CD 3.36Å; C115-T410 PolarHBondContact N-O 3.24Å; C115-T410 PolarHBondContact O-N 2.75Å; C115-L412 HydrophobicContact CB-CD1 4.1Å; C115-L412 HydrophobicContact CB-CD2 3.85Å; C115-L412 HydrophobicContact CB-CG 4.1Å
116	T	93.6	Very high	94.2	Very high	12 Å²	12	37.7 Å²	37.7	7%	0.074	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-46.3	130.2	169.6	-65.1	0	0	0	0	112.2	E110 W118 R475	E110-T116 PolarHBondContact OE1-N 3.41Å; E110-T116 PolarHBondContact OE1-OG1 3.28Å; E110-T116 VanDerWaalsContact OE1-OG1 3.05Å; E110-T116 PolarHBondContact OE2-N 3.22Å; T116-W118 VanDerWaalsContact CG2-CD1 3.42Å; T116-W118 HydrophobicContact CG2-CG 4.46Å; T116-R475 PolarHBondContact OG1-NE 3.19Å
117	Q	90.4	Very high	94	Very high	36 Å²	36	37.7 Å²	37.7	17%	0.168	19%	0.185	C	C	.	.			trans	-117.5	118.4	179.4	-177.1	179.8	-1.5	0	0	109.4	C115 Y408 R409 T410 S427	C115-Q117 PolarHBondContact O-N 3.31Å; Q117-Y408 PolarHBondContact N-O 2.86Å; Q117-Y408 VanDerWaalsContact N-O 3.09Å; Q117-R409 PolarHBondContact OE1-O 3.26Å; Q117-R409 VanDerWaalsContact OE1-O 3.08Å; Q117-T410 VanDerWaalsContact CD-OG1 3.27Å; Q117-T410 PolarHBondContact OE1-OG1 3.47Å; Q117-S427 PolarHBondContact NE2-OG 3.07Å; Q117-S427 VanDerWaalsContact NE2-OG 3.1Å; Q117-S427 PolarHBondContact OE1-OG 3.22Å
118	W	89.6	Confident	93.8	Very high	75 Å²	75	41.8 Å²	41.8	28%	0.284	21%	0.212	S	C	.	.			trans	-117.6	147.6	171.5	-73.4	105.5	0	0	0	110.1	T116 T122 R123 V132 F223	T116-W118 VanDerWaalsContact CG2-CD1 3.42Å; T116-W118 HydrophobicContact CG2-CG 4.46Å; W118-T122 HydrophobicContact CB-CG2 4.44Å; W118-T122 HydrophobicContact CD2-CG2 4.2Å; W118-T122 HydrophobicContact CE3-CG2 3.71Å; W118-T122 HydrophobicContact CZ3-CG2 4.29Å; W118-R123 HydrophobicContact CB-CG 4.16Å; W118-V132 HydrophobicContact CD2-CG2 4.22Å; W118-V132 HydrophobicContact CH2-CG2 4.47Å; W118-V132 HydrophobicContact CZ2-CG2 3.46Å; W118-V132 VanDerWaalsContact CZ2-CG2 3.46Å; W118-V132 PolarHBondContact NE1-O 3.15Å; W118-F223 HydrophobicContact CZ3-CE1 4.36Å; W118-F223 HydrophobicContact CZ3-CZ 4.12Å
119	P	89.3	Confident	93.5	Very high	53 Å²	53	39.9 Å²	39.9	34%	0.344	20%	0.202	S	C	.	.			trans	-54.9	151.3	169.1	-22	32.3	0	0	0	111.7	S121 T122 R123 F223	P119-S121 VanDerWaalsContact C-N 3.29Å; P119-S121 PolarHBondContact O-N 3.14Å; P119-T122 WeakPolarHBondContact O-CB 3.41Å; P119-T122 PolarHBondContact O-N 3.24Å; P119-R123 PolarHBondContact O-N 3.31Å; P119-R123 VanDerWaalsContact O-N 3.07Å; P119-F223 HydrophobicContact CG-CD1 3.74Å; P119-F223 HydrophobicContact CG-CE1 4.01Å
120	Q	91.4	Very high	93.4	Very high	123 Å²	123	39.7 Å²	39.7	58%	0.575	20%	0.199	S	C	*	.	H	α-helix	trans	-62.1	-37.7	179	-177.6	176.5	-1.5	0	0	111.9	R123 I124 P226	Q120-R123 WeakPolarHBondContact O-CB 3.26Å; Q120-R123 PolarHBondContact O-N 3.35Å; Q120-I124 HydrophobicContact CG-CD1 3.88Å; Q120-I124 HydrophobicContact CG-CG1 4.47Å; Q120-I124 VanDerWaalsContact O-CG1 3.29Å; Q120-I124 WeakPolarHBondContact O-CG1 3.44Å; Q120-I124 PolarHBondContact O-N 3.29Å; Q120-P226 HydrophobicContact CB-CB 4.04Å; Q120-P226 HydrophobicContact CG-CB 4.07Å
121	S	92.9	Very high	93.3	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-58.5	-47.2	173.7	39.8	0	0	0	0	112.2	P119 R123 I124 I125 L222 S224	P119-S121 VanDerWaalsContact C-N 3.29Å; P119-S121 PolarHBondContact O-N 3.14Å; S121-R123 VanDerWaalsContact C-N 3.32Å; S121-R123 PolarHBondContact O-N 2.81Å; S121-I124 PolarHBondContact O-N 3.11Å; S121-I125 WeakPolarHBondContact O-CB 3.3Å; S121-I125 VanDerWaalsContact O-CG1 3.29Å; S121-I125 WeakPolarHBondContact O-CG1 3.44Å; S121-I125 PolarHBondContact O-N 3.47Å; S121-L222 PolarHBondContact OG-O 3.48Å; S121-L222 VanDerWaalsContact OG-O 3.12Å; S121-S224 WeakPolarHBondContact CB-O 3.49Å; S121-S224 PolarHBondContact OG-O 3.2Å
122	T	92.3	Very high	93.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.7	-43.6	175.2	-50	0	0	0	0	111.7	W118 P119 I124 I125 L126 L222	W118-T122 HydrophobicContact CB-CG2 4.44Å; W118-T122 HydrophobicContact CD2-CG2 4.2Å; W118-T122 HydrophobicContact CE3-CG2 3.71Å; W118-T122 HydrophobicContact CZ3-CG2 4.29Å; P119-T122 WeakPolarHBondContact O-CB 3.41Å; P119-T122 PolarHBondContact O-N 3.24Å; T122-I124 PolarHBondContact O-N 2.79Å; T122-I125 PolarHBondContact O-N 3.23Å; T122-L126 HydrophobicContact CG2-CD1 3.77Å; T122-L126 HydrophobicContact CG2-CG 4.33Å; T122-L126 WeakPolarHBondContact O-CB 3.32Å; T122-L126 PolarHBondContact O-N 3.07Å; T122-L222 WeakPolarHBondContact CA-O 3.41Å; T122-L222 HydrophobicContact CG2-CD2 4.31Å; T122-L222 PolarHBondContact N-O 2.98Å; T122-L222 PolarHBondContact OG1-O 3.33Å
123	R	93.4	Very high	93.2	Very high	116 Å²	116	34.6 Å²	34.6	44%	0.438	18%	0.175	S	C	.	.	H	α-helix	trans	-61	-43	177	-73.2	177.2	165.9	-170.1	-2.1	112.6	W118 P119 Q120 S121 G127 N133	W118-R123 HydrophobicContact CB-CG 4.16Å; P119-R123 PolarHBondContact O-N 3.31Å; P119-R123 VanDerWaalsContact O-N 3.07Å; Q120-R123 WeakPolarHBondContact O-CB 3.26Å; Q120-R123 PolarHBondContact O-N 3.35Å; S121-R123 VanDerWaalsContact C-N 3.32Å; S121-R123 PolarHBondContact O-N 2.81Å; R123-G127 PolarHBondContact O-N 3.41Å; R123-G127 VanDerWaalsContact O-N 3.11Å; R123-N133 WeakPolarHBondContact CG-OD1 3.45Å; R123-N133 PolarHBondContact O-ND2 3.07Å
124	I	94.7	Very high	93	Very high	59 Å²	59	33.7 Å²	33.7	30%	0.303	17%	0.171	S	C	.	.	H	α-helix	trans	-68.2	-45.1	178.8	-67.8	164.8	0	0	0	111.1	Q120 S121 T122 L234 I238 R241	Q120-I124 HydrophobicContact CG-CD1 3.88Å; Q120-I124 HydrophobicContact CG-CG1 4.47Å; Q120-I124 VanDerWaalsContact O-CG1 3.29Å; Q120-I124 WeakPolarHBondContact O-CG1 3.44Å; Q120-I124 PolarHBondContact O-N 3.29Å; S121-I124 PolarHBondContact O-N 3.11Å; T122-I124 PolarHBondContact O-N 2.79Å; I124-L234 HydrophobicContact CB-CD1 4.2Å; I124-L234 HydrophobicContact CD1-CD1 4.4Å; I124-L234 HydrophobicContact CD1-CD2 4.1Å; I124-L234 HydrophobicContact CG2-CD1 3.99Å; I124-I238 HydrophobicContact CG2-CD1 4Å; I124-I238 HydrophobicContact CG2-CG1 4.09Å; I124-R241 PolarHBondContact O-NH1 2.7Å
125	I	95.5	Very high	92.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-73.1	-43.3	-173.7	-68.7	166.2	0	0	0	111.7	S121 T122 L218 N221 L222 L234 R241	S121-I125 WeakPolarHBondContact O-CB 3.3Å; S121-I125 VanDerWaalsContact O-CG1 3.29Å; S121-I125 WeakPolarHBondContact O-CG1 3.44Å; S121-I125 PolarHBondContact O-N 3.47Å; T122-I125 PolarHBondContact O-N 3.23Å; I125-L218 HydrophobicContact CG2-CD1 3.93Å; I125-L218 HydrophobicContact CG2-CD2 3.97Å; I125-L218 HydrophobicContact CG2-CG 3.58Å; I125-N221 HydrophobicContact CD1-CB 4.38Å; I125-N221 WeakPolarHBondContact CD1-O 3.43Å; I125-L222 HydrophobicContact CB-CD2 3.97Å; I125-L222 HydrophobicContact CG2-CD2 3.62Å; I125-L234 HydrophobicContact CD1-CD1 4.03Å; I125-L234 HydrophobicContact CG1-CD1 3.93Å; I125-R241 WeakPolarHBondContact O-CD 3.44Å; I125-R241 WeakPolarHBondContact O-CG 3.3Å; I125-R241 PolarHBondContact O-NE 2.77Å
126	L	94.1	Very high	92.6	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-76.9	-26.8	178	-64.7	-180	0	0	0	112.3	T122 T130 V132 L218 L222 F297	T122-L126 HydrophobicContact CG2-CD1 3.77Å; T122-L126 HydrophobicContact CG2-CG 4.33Å; T122-L126 WeakPolarHBondContact O-CB 3.32Å; T122-L126 PolarHBondContact O-N 3.07Å; L126-T130 HydrophobicContact CB-CG2 4.34Å; L126-T130 VanDerWaalsContact O-CG2 3.22Å; L126-T130 WeakPolarHBondContact O-CG2 3.45Å; L126-V132 HydrophobicContact CD1-CG1 3.78Å; L126-L218 HydrophobicContact CD2-CD2 4.27Å; L126-L222 HydrophobicContact CD1-CD2 4.47Å; L126-L222 HydrophobicContact CD2-CD2 3.97Å; L126-L222 HydrophobicContact CG-CD2 3.91Å; L126-F297 HydrophobicContact CD1-CD1 4.1Å; L126-F297 HydrophobicContact CD1-CE1 3.89Å; L126-F297 HydrophobicContact CD1-CE2 4.46Å; L126-F297 HydrophobicContact CD1-CG 4.46Å; L126-F297 HydrophobicContact CD1-CZ 4.09Å; L126-F297 HydrophobicContact CD2-CB 4.41Å; L126-F297 HydrophobicContact CD2-CD1 4.44Å; L126-F297 HydrophobicContact CD2-CD2 4.18Å; L126-F297 HydrophobicContact CD2-CG 4.07Å
127	G	93.4	Very high	92.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.			trans	92.7	157.5	179.6	0	0	0	0	0	113.6	R123 N129 T130 N133	R123-G127 PolarHBondContact O-N 3.41Å; R123-G127 VanDerWaalsContact O-N 3.11Å; G127-N129 PolarHBondContact O-N 2.9Å; G127-T130 PolarHBondContact O-OG1 3.04Å; G127-N133 PolarHBondContact O-ND2 3.44Å
128	P	91.6	Very high	92.6	Very high	89 Å²	89	44.2 Å²	44.2	58%	0.578	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-20.1	-170	30.5	-35.7	0	0	0	114.1	T130	P128-T130 VanDerWaalsContact C-N 3.33Å
129	N	91.7	Very high	92.8	Very high	48 Å²	48	40.9 Å²	40.9	26%	0.257	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	5.1	-173.5	-50.7	-68.7	0	0	0	114.1	G127 K142 E287 E290	G127-N129 PolarHBondContact O-N 2.9Å; N129-K142 VanDerWaalsContact O-CD 3.3Å; N129-K142 WeakPolarHBondContact O-CD 3.47Å; N129-K142 WeakPolarHBondContact O-CE 3.26Å; N129-K142 PolarHBondContact O-NZ 3.47Å; N129-E287 HydrophobicContact CB-CG 3.78Å; N129-E290 WeakPolarHBondContact CA-OE2 3.39Å; N129-E290 WeakPolarHBondContact CB-OE2 3.41Å; N129-E290 PolarHBondContact N-OE2 3.37Å; N129-E290 PolarHBondContact ND2-OE2 2.89Å
130	T	94.3	Very high	93	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	23%	0.233	C	C	.	.	S	Bend	trans	-76.8	150.5	178.1	55.3	0	0	0	0	111.8	L126 G127 P128 V132 N133 S134 E290 E294	L126-T130 HydrophobicContact CB-CG2 4.34Å; L126-T130 VanDerWaalsContact O-CG2 3.22Å; L126-T130 WeakPolarHBondContact O-CG2 3.45Å; G127-T130 PolarHBondContact O-OG1 3.04Å; P128-T130 VanDerWaalsContact C-N 3.33Å; T130-V132 VanDerWaalsContact C-N 3.26Å; T130-V132 PolarHBondContact O-N 2.91Å; T130-V132 WeakPolarHBondContact OG1-CG1 3.47Å; T130-N133 PolarHBondContact O-N 3.48Å; T130-N133 WeakPolarHBondContact OG1-CB 3.4Å; T130-N133 PolarHBondContact OG1-ND2 2.82Å; T130-N133 VanDerWaalsContact OG1-ND2 3.15Å; T130-S134 WeakPolarHBondContact O-CB 3.18Å; T130-S134 PolarHBondContact O-N 3.19Å; T130-S134 PolarHBondContact O-OG 3.41Å; T130-E290 HydrophobicContact CG2-CB 4.07Å; T130-E294 VanDerWaalsContact CA-OE2 3.25Å; T130-E294 WeakPolarHBondContact CA-OE2 3.46Å; T130-E294 VanDerWaalsContact CB-CD 3.5Å; T130-E294 WeakPolarHBondContact CB-OE2 3.37Å; T130-E294 HydrophobicContact CG2-CB 4.01Å; T130-E294 HydrophobicContact CG2-CG 4.49Å
131	L	93.9	Very high	93	Very high	17 Å²	17	45.3 Å²	45.3	9%	0.089	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-40.8	176.1	-173.9	71.5	0	0	0	111.6	N133 S134 H139 K142 R143 L146 E294 R475	L131-N133 VanDerWaalsContact C-N 3.29Å; L131-N133 PolarHBondContact O-N 2.93Å; L131-S134 PolarHBondContact O-N 2.92Å; L131-H139 WeakPolarHBondContact CD1-CD2 3.5Å; L131-K142 HydrophobicContact CD1-CB 3.8Å; L131-R143 HydrophobicContact CD1-CB 3.83Å; L131-R143 VanDerWaalsContact CD1-N 3.34Å; L131-L146 HydrophobicContact CB-CD1 3.85Å; L131-L146 HydrophobicContact CD2-CD1 3.85Å; L131-L146 HydrophobicContact CG-CD1 4.28Å; L131-E294 WeakPolarHBondContact CA-OE1 3.41Å; L131-E294 VanDerWaalsContact CB-OE1 3.27Å; L131-E294 WeakPolarHBondContact CB-OE1 3.48Å; L131-E294 PolarHBondContact N-OE1 3.44Å; L131-E294 PolarHBondContact N-OE2 3.38Å; L131-R475 PolarHBondContact O-NH1 3.39Å
132	V	92	Very high	93	Very high	22 Å²	22	46.4 Å²	46.4	13%	0.133	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-34.7	-179.3	68.5	0	0	0	0	112.8	W118 L126 T130 E294	W118-V132 HydrophobicContact CD2-CG2 4.22Å; W118-V132 HydrophobicContact CH2-CG2 4.47Å; W118-V132 HydrophobicContact CZ2-CG2 3.46Å; W118-V132 VanDerWaalsContact CZ2-CG2 3.46Å; W118-V132 PolarHBondContact NE1-O 3.15Å; L126-V132 HydrophobicContact CD1-CG1 3.78Å; T130-V132 VanDerWaalsContact C-N 3.26Å; T130-V132 PolarHBondContact O-N 2.91Å; T130-V132 WeakPolarHBondContact OG1-CG1 3.47Å; V132-E294 WeakPolarHBondContact CB-OE1 3.42Å; V132-E294 WeakPolarHBondContact CG1-OE1 3.22Å; V132-E294 PolarHBondContact N-OE1 3.26Å
133	N	92.8	Very high	93.1	Very high	23 Å²	23	48.8 Å²	48.8	12%	0.123	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-13.9	178.2	-69	-31.9	0	0	0	113.6	R123 G127 T130 L131	R123-N133 WeakPolarHBondContact CG-OD1 3.45Å; R123-N133 PolarHBondContact O-ND2 3.07Å; G127-N133 PolarHBondContact O-ND2 3.44Å; T130-N133 PolarHBondContact O-N 3.48Å; T130-N133 WeakPolarHBondContact OG1-CB 3.4Å; T130-N133 PolarHBondContact OG1-ND2 2.82Å; T130-N133 VanDerWaalsContact OG1-ND2 3.15Å; L131-N133 VanDerWaalsContact C-N 3.29Å; L131-N133 PolarHBondContact O-N 2.93Å
134	S	92.9	Very high	93.1	Very high	7 Å²	7	48.9 Å²	48.9	5%	0.049	24%	0.244	C	C	.	.			trans	-75.3	152	178.2	-64.9	0	0	0	0	112.3	T130 L131 R475	T130-S134 WeakPolarHBondContact O-CB 3.18Å; T130-S134 PolarHBondContact O-N 3.19Å; T130-S134 PolarHBondContact O-OG 3.41Å; L131-S134 PolarHBondContact O-N 2.92Å; S134-R475 VanDerWaalsContact O-CZ 3.26Å; S134-R475 PolarHBondContact O-NH1 2.83Å; S134-R475 PolarHBondContact O-NH2 3.16Å
135	V	92.5	Very high	93	Very high	67 Å²	67	46.5 Å²	46.5	41%	0.406	23%	0.232	S	C	.	.			trans	-137.2	163.5	175.3	-63	0	0	0	0	111.3	C115 D137 I138 H139	C115-V135 WeakPolarHBondContact SG-CG1 3.19Å; V135-D137 PolarHBondContact O-N 2.98Å; V135-I138 PolarHBondContact O-N 3.06Å; V135-H139 PolarHBondContact O-N 3.39Å
136	G	91.5	Very high	92.8	Very high	28 Å²	28	47 Å²	47	29%	0.289	23%	0.234	S	C	.	.	H	α-helix	trans	57.3	-135.2	175	0	0	0	0	0	113.2	H111 I138 H139 R140	H111-G136 PolarHBondContact CE1-N 2.91Å; H111-G136 PolarHBondContact ND1-N 3.32Å; G136-I138 VanDerWaalsContact C-N 3.33Å; G136-I138 PolarHBondContact O-N 3.4Å; G136-H139 WeakPolarHBondContact O-CB 2.96Å; G136-H139 PolarHBondContact O-N 3.36Å; G136-R140 PolarHBondContact O-N 3.48Å
137	D	92	Very high	92.8	Very high	105 Å²	105	49.1 Å²	49.1	56%	0.561	25%	0.252	S	S	*	.	H	α-helix	trans	-71.4	-25.8	-176.2	-65.2	-36.9	0	0	0	113.9	V135 R140 R141	V135-D137 PolarHBondContact O-N 2.98Å; D137-R140 PolarHBondContact O-N 3.32Å; D137-R140 IonicContact OD1-NE 2.87Å; D137-R141 WeakPolarHBondContact O-CB 3.46Å; D137-R141 WeakPolarHBondContact O-CG 3.26Å; D137-R141 PolarHBondContact O-N 3.44Å; D137-R141 PolarHBondContact O-NE 3.41Å
138	I	91.9	Very high	92.7	Very high	91 Å²	91	51.5 Å²	51.5	47%	0.467	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-49.1	171.7	-59.6	174.7	0	0	0	109.2	V135 G136 R140 R141 K142	V135-I138 PolarHBondContact O-N 3.06Å; G136-I138 VanDerWaalsContact C-N 3.33Å; G136-I138 PolarHBondContact O-N 3.4Å; I138-R140 PolarHBondContact O-N 3.13Å; I138-R141 PolarHBondContact O-N 3.34Å; I138-K142 HydrophobicContact CG2-CD 4.24Å; I138-K142 PolarHBondContact O-N 3.03Å
139	H	94.9	Very high	92.7	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.019	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-45.7	175.7	171.6	-112.5	0	0	0	111.8	H111 L131 V135 G136 R141 K142 R143 V474 R475	H111-H139 AromaticContact CE1-ND1 3.9Å; H111-H139 AromaticContact NE2-CE1 4Å; H111-H139 AromaticContact NE2-CG 3.97Å; H111-H139 AromaticContact NE2-ND1 3.19Å; H111-H139 PolarHBondContact NE2-ND1 2.92Å; H111-H139 VanDerWaalsContact NE2-ND1 3.19Å; L131-H139 WeakPolarHBondContact CD1-CD2 3.5Å; V135-H139 PolarHBondContact O-N 3.39Å; G136-H139 WeakPolarHBondContact O-CB 2.96Å; G136-H139 PolarHBondContact O-N 3.36Å; H139-R141 PolarHBondContact O-N 2.9Å; H139-K142 PolarHBondContact O-N 3.19Å; H139-R143 WeakPolarHBondContact O-CB 3.45Å; H139-R143 PolarHBondContact O-N 3.32Å; H139-V474 PolarHBondContact CE1-O 2.85Å; H139-V474 VanDerWaalsContact CE1-O 3.25Å; H139-R475 PolarHBondContact CD2-NH1 3.37Å; H139-R475 PolarHBondContact NE2-NH1 2.88Å
140	R	93.6	Very high	92.9	Very high	152 Å²	152	46.1 Å²	46.1	57%	0.574	23%	0.228	S	C	*	.	H	α-helix	trans	-57.6	-46.3	179.2	-169.6	-166.9	-61.1	-104.9	1.1	111.8	G136 D137 I138 K144	G136-R140 PolarHBondContact O-N 3.48Å; D137-R140 PolarHBondContact O-N 3.32Å; D137-R140 IonicContact OD1-NE 2.87Å; I138-R140 PolarHBondContact O-N 3.13Å; R140-K144 WeakPolarHBondContact O-CG 3.37Å; R140-K144 PolarHBondContact O-N 2.96Å
141	R	91.9	Very high	92.9	Very high	118 Å²	118	48.2 Å²	48.2	45%	0.445	24%	0.243	S	C	.	.	H	α-helix	trans	-66	-51.9	179.1	-74.8	-176.5	-68.4	-165.7	2.5	112	D137 I138 H139 R143 K144 I145	D137-R141 WeakPolarHBondContact O-CB 3.46Å; D137-R141 WeakPolarHBondContact O-CG 3.26Å; D137-R141 PolarHBondContact O-N 3.44Å; D137-R141 PolarHBondContact O-NE 3.41Å; I138-R141 PolarHBondContact O-N 3.34Å; H139-R141 PolarHBondContact O-N 2.9Å; R141-R143 VanDerWaalsContact C-N 3.25Å; R141-R143 PolarHBondContact O-N 3.2Å; R141-K144 WeakPolarHBondContact O-CB 3.28Å; R141-K144 PolarHBondContact O-N 3.33Å; R141-I145 PolarHBondContact O-N 3.45Å; R141-I145 VanDerWaalsContact O-N 3.17Å
142	K	92.4	Very high	92.9	Very high	25 Å²	25	55.3 Å²	55.3	11%	0.109	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-37.6	177.7	-73.4	-176.6	179.3	-80.3	0	112	N129 L131 I138 H139 K144 I145 L146 E287	N129-K142 VanDerWaalsContact O-CD 3.3Å; N129-K142 WeakPolarHBondContact O-CD 3.47Å; N129-K142 WeakPolarHBondContact O-CE 3.26Å; N129-K142 PolarHBondContact O-NZ 3.47Å; L131-K142 HydrophobicContact CD1-CB 3.8Å; I138-K142 HydrophobicContact CG2-CD 4.24Å; I138-K142 PolarHBondContact O-N 3.03Å; H139-K142 PolarHBondContact O-N 3.19Å; K142-K144 VanDerWaalsContact C-N 3.35Å; K142-K144 PolarHBondContact O-N 3.33Å; K142-I145 PolarHBondContact O-N 3.46Å; K142-L146 PolarHBondContact O-N 2.97Å; K142-E287 IonicContact NZ-OE1 3Å; K142-E287 PolarHBondContact NZ-OE1 2.95Å
143	R	94.5	Very high	93	Very high	51 Å²	51	56.9 Å²	56.9	19%	0.192	29%	0.289	C	S	.	.	H	α-helix	trans	-61.5	-41.8	175.7	-170.7	176.8	177.3	85	4.6	112.1	L131 H139 R141 L146 A147 V474 S476	L131-R143 HydrophobicContact CD1-CB 3.83Å; L131-R143 VanDerWaalsContact CD1-N 3.34Å; H139-R143 WeakPolarHBondContact O-CB 3.45Å; H139-R143 PolarHBondContact O-N 3.32Å; R141-R143 VanDerWaalsContact C-N 3.25Å; R141-R143 PolarHBondContact O-N 3.2Å; R143-L146 PolarHBondContact O-N 3.14Å; R143-A147 WeakPolarHBondContact O-CB 3.43Å; R143-A147 PolarHBondContact O-N 3.14Å; R143-V474 VanDerWaalsContact CD-O 3.3Å; R143-V474 WeakPolarHBondContact CD-O 3.47Å; R143-V474 VanDerWaalsContact CZ-O 3.22Å; R143-V474 PolarHBondContact NE-O 3.4Å; R143-V474 PolarHBondContact NH1-O 3.49Å; R143-V474 VanDerWaalsContact NH1-O 3.13Å; R143-S476 PolarHBondContact NH1-O 2.97Å; R143-S476 PolarHBondContact NH2-O 3.46Å; R143-S476 PolarHBondContact NH2-OG 3.02Å
144	K	93.2	Very high	93	Very high	118 Å²	118	56 Å²	56	51%	0.513	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-43.4	177.2	-74.3	-179.9	176.2	-171.9	0	111.6	R140 R141 K142 A147	R140-K144 WeakPolarHBondContact O-CG 3.37Å; R140-K144 PolarHBondContact O-N 2.96Å; R141-K144 WeakPolarHBondContact O-CB 3.28Å; R141-K144 PolarHBondContact O-N 3.33Å; K142-K144 VanDerWaalsContact C-N 3.35Å; K142-K144 PolarHBondContact O-N 3.33Å; K144-A147 PolarHBondContact O-N 3Å
145	I	91.9	Very high	93.2	Very high	9 Å²	9	56 Å²	56	5%	0.046	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-50.9	176.5	-63.4	170.2	0	0	0	109.9	R141 K142 A147 K148 M272 A276 Q279	R141-I145 PolarHBondContact O-N 3.45Å; R141-I145 VanDerWaalsContact O-N 3.17Å; K142-I145 PolarHBondContact O-N 3.46Å; I145-A147 VanDerWaalsContact C-N 3.3Å; I145-A147 PolarHBondContact O-N 3.4Å; I145-K148 WeakPolarHBondContact O-CB 3.18Å; I145-K148 PolarHBondContact O-N 3.27Å; I145-M272 HydrophobicContact CG2-CB 4.45Å; I145-A276 HydrophobicContact CD1-CB 4.19Å; I145-Q279 HydrophobicContact CG1-CG 4.14Å
146	L	91.9	Very high	93.3	Very high	10 Å²	10	56 Å²	56	5%	0.052	28%	0.28	C	S	.	.	H	α-helix	trans	-66.5	-28.2	-179.9	-76.8	174.8	0	0	0	113.6	L131 K142 R143 K148 V149 F150 M272 T291 L295 V478	L131-L146 HydrophobicContact CB-CD1 3.85Å; L131-L146 HydrophobicContact CD2-CD1 3.85Å; L131-L146 HydrophobicContact CG-CD1 4.28Å; K142-L146 PolarHBondContact O-N 2.97Å; R143-L146 PolarHBondContact O-N 3.14Å; L146-K148 PolarHBondContact O-N 2.85Å; L146-V149 HydrophobicContact CD2-CG2 4.45Å; L146-V149 WeakPolarHBondContact O-CB 3.33Å; L146-V149 PolarHBondContact O-N 2.89Å; L146-F150 VanDerWaalsContact O-CD2 3.23Å; L146-F150 WeakPolarHBondContact O-CD2 3.38Å; L146-M272 HydrophobicContact CD2-CG 4.17Å; L146-M272 HydrophobicContact CD2-SD 3.92Å; L146-T291 HydrophobicContact CD1-CG2 4.49Å; L146-T291 HydrophobicContact CD2-CG2 3.65Å; L146-T291 HydrophobicContact CG-CG2 4.45Å; L146-L295 HydrophobicContact CD2-CD2 4.16Å; L146-V478 HydrophobicContact CB-CG2 4.46Å
147	A	92.9	Very high	93.3	Very high	47 Å²	47	56.7 Å²	56.7	39%	0.388	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-26.8	177.8	0	0	0	0	0	112.8	R143 K144 I145 F150 S151 V478	R143-A147 WeakPolarHBondContact O-CB 3.43Å; R143-A147 PolarHBondContact O-N 3.14Å; K144-A147 PolarHBondContact O-N 3Å; I145-A147 VanDerWaalsContact C-N 3.3Å; I145-A147 PolarHBondContact O-N 3.4Å; A147-F150 CarbonylContact O-C 3.59Å; A147-F150 PolarHBondContact O-N 3.43Å; A147-S151 PolarHBondContact O-N 3.46Å; A147-V478 HydrophobicContact CB-CG2 4.43Å
148	K	91.9	Very high	93.5	Very high	49 Å²	49	51.8 Å²	51.8	21%	0.213	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-37.9	175.5	-101.2	-179.7	155.2	-158.7	0	113.5	I145 L146 F150 S151 S274 G275 E278	I145-K148 WeakPolarHBondContact O-CB 3.18Å; I145-K148 PolarHBondContact O-N 3.27Å; L146-K148 PolarHBondContact O-N 2.85Å; K148-F150 PolarHBondContact O-N 2.63Å; K148-F150 VanDerWaalsContact O-N 3.16Å; K148-S151 VanDerWaalsContact O-CB 3.26Å; K148-S151 WeakPolarHBondContact O-CB 3.48Å; K148-S151 PolarHBondContact O-N 3.05Å; K148-S151 PolarHBondContact O-OG 3.23Å; K148-S274 PolarHBondContact NZ-OG 3.44Å; K148-G275 VanDerWaalsContact CD-CA 3.41Å; K148-E278 WeakPolarHBondContact CE-OE1 3.45Å; K148-E278 WeakPolarHBondContact CE-OE2 3.47Å; K148-E278 IonicContact NZ-OE1 3.54Å; K148-E278 PolarHBondContact NZ-OE1 2.84Å; K148-E278 IonicContact NZ-OE2 3.97Å; K148-E278 PolarHBondContact NZ-OE2 3.26Å
149	V	92.9	Very high	93.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-56.5	-30	175.5	176.5	0	0	0	0	111.4	L146 A154 Y158 A268 L271 M272	L146-V149 HydrophobicContact CD2-CG2 4.45Å; L146-V149 WeakPolarHBondContact O-CB 3.33Å; L146-V149 PolarHBondContact O-N 2.89Å; V149-A154 WeakPolarHBondContact O-CB 3.15Å; V149-Y158 WeakPolarHBondContact O-CE2 3.35Å; V149-Y158 PolarHBondContact O-OH 3.23Å; V149-A268 HydrophobicContact CB-CB 4.28Å; V149-A268 HydrophobicContact CG1-CB 3.31Å; V149-A268 HydrophobicContact CG2-CB 4.02Å; V149-L271 HydrophobicContact CG2-CB 4.38Å; V149-M272 HydrophobicContact CG2-CG 3.5Å; V149-M272 VanDerWaalsContact CG2-CG 3.5Å; V149-M272 HydrophobicContact CG2-SD 4.26Å
150	F	94.6	Very high	93.7	Very high	24 Å²	24	49.8 Å²	49.8	11%	0.105	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	23.3	-178.1	-50.9	-78	0	0	0	111.9	L146 A147 K148 L295 V478 L482	L146-F150 VanDerWaalsContact O-CD2 3.23Å; L146-F150 WeakPolarHBondContact O-CD2 3.38Å; A147-F150 CarbonylContact O-C 3.59Å; A147-F150 PolarHBondContact O-N 3.43Å; K148-F150 PolarHBondContact O-N 2.63Å; K148-F150 VanDerWaalsContact O-N 3.16Å; F150-L295 HydrophobicContact CE2-CD2 4.09Å; F150-L295 HydrophobicContact CZ-CD2 3.71Å; F150-V478 HydrophobicContact CD2-CB 4.35Å; F150-V478 HydrophobicContact CD2-CG1 4.06Å; F150-V478 HydrophobicContact CD2-CG2 3.74Å; F150-V478 HydrophobicContact CE2-CB 4.45Å; F150-V478 HydrophobicContact CE2-CG1 3.67Å; F150-V478 HydrophobicContact CE2-CG2 4.16Å; F150-V478 HydrophobicContact CZ-CG1 4.43Å; F150-L482 HydrophobicContact CD1-CB 4.07Å; F150-L482 HydrophobicContact CD1-CD2 4.19Å; F150-L482 HydrophobicContact CE1-CB 4.38Å; F150-L482 HydrophobicContact CE1-CD2 3.78Å
151	S	94.5	Very high	93.7	Very high	46 Å²	46	46.5 Å²	46.5	32%	0.322	24%	0.235	S	C	.	.	S	Bend	trans	-68.1	156.5	172.5	68.1	0	0	0	0	110.7	A147 K148 G153 A154 L155	A147-S151 PolarHBondContact O-N 3.46Å; K148-S151 VanDerWaalsContact O-CB 3.26Å; K148-S151 WeakPolarHBondContact O-CB 3.48Å; K148-S151 PolarHBondContact O-N 3.05Å; K148-S151 PolarHBondContact O-OG 3.23Å; S151-G153 VanDerWaalsContact C-N 3.29Å; S151-G153 PolarHBondContact O-N 3.1Å; S151-A154 WeakPolarHBondContact O-CB 3.1Å; S151-A154 PolarHBondContact O-N 3.23Å; S151-A154 VanDerWaalsContact O-N 3.15Å; S151-A154 WeakPolarHBondContact OG-CB 3.39Å; S151-A154 PolarHBondContact OG-N 3Å; S151-L155 WeakPolarHBondContact O-CG 3.41Å; S151-L155 PolarHBondContact O-N 3.16Å
152	R	94.6	Very high	93.9	Very high	166 Å²	166	40.9 Å²	40.9	63%	0.626	21%	0.214	S	C	*	.	H	α-helix	trans	-54.4	-45.1	-179.8	-177.2	-178.3	171	95.6	5.2	112.3	A154 L155 E156 L381	R152-A154 PolarHBondContact O-N 3.02Å; R152-L155 PolarHBondContact O-N 3.14Å; R152-E156 IonicContact NH2-OE2 3.57Å; R152-E156 PolarHBondContact O-N 3.47Å; R152-L381 HydrophobicContact CG-CD1 4.01Å
153	G	93.3	Very high	94.1	Very high	55 Å²	55	39.7 Å²	39.7	57%	0.567	21%	0.209	S	C	*	.	H	α-helix	trans	-62.2	-41.2	179.3	0	0	0	0	0	112.9	S151 E156 S157	S151-G153 VanDerWaalsContact C-N 3.29Å; S151-G153 PolarHBondContact O-N 3.1Å; G153-E156 PolarHBondContact O-N 2.87Å; G153-S157 PolarHBondContact O-N 3.36Å; G153-S157 VanDerWaalsContact O-N 3.14Å
154	A	93.5	Very high	94.2	Very high	5 Å²	5	38.8 Å²	38.8	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-42.6	174.7	0	0	0	0	0	112.4	V149 S151 R152 E156 S157 Y158 L271	V149-A154 WeakPolarHBondContact O-CB 3.15Å; S151-A154 WeakPolarHBondContact O-CB 3.1Å; S151-A154 PolarHBondContact O-N 3.23Å; S151-A154 VanDerWaalsContact O-N 3.15Å; S151-A154 WeakPolarHBondContact OG-CB 3.39Å; S151-A154 PolarHBondContact OG-N 3Å; R152-A154 PolarHBondContact O-N 3.02Å; A154-E156 VanDerWaalsContact C-N 3.31Å; A154-E156 PolarHBondContact O-N 2.74Å; A154-S157 PolarHBondContact O-N 3.15Å; A154-S157 PolarHBondContact O-OG 3.33Å; A154-Y158 HydrophobicContact CB-CE2 4.24Å; A154-Y158 WeakPolarHBondContact O-CD1 3.41Å; A154-Y158 WeakPolarHBondContact O-CD2 3.31Å; A154-Y158 PolarHBondContact O-N 2.9Å; A154-L271 HydrophobicContact CB-CD1 3.32Å
155	L	96.1	Very high	94.4	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	19%	0.186	C	C	.	.	H	α-helix	trans	-67	-34.2	178.9	-64.5	174.9	0	0	0	112.4	S151 R152 Y158 L159 L381 E481 L482 I485	S151-L155 WeakPolarHBondContact O-CG 3.41Å; S151-L155 PolarHBondContact O-N 3.16Å; R152-L155 PolarHBondContact O-N 3.14Å; L155-Y158 HydrophobicContact CD2-CD2 4.14Å; L155-Y158 PolarHBondContact O-N 2.72Å; L155-L159 PolarHBondContact O-N 3.42Å; L155-L381 HydrophobicContact CB-CD1 4.1Å; L155-E481 HydrophobicContact CD1-CB 3.48Å; L155-E481 VanDerWaalsContact CD1-CB 3.48Å; L155-E481 HydrophobicContact CD1-CG 4.44Å; L155-L482 HydrophobicContact CD2-CB 3.81Å; L155-L482 HydrophobicContact CD2-CD1 3.92Å; L155-L482 HydrophobicContact CD2-CG 4.43Å; L155-I485 HydrophobicContact CB-CD1 3.79Å; L155-I485 HydrophobicContact CD1-CD1 3.97Å; L155-I485 HydrophobicContact CD2-CD1 4.19Å; L155-I485 HydrophobicContact CG-CD1 4.2Å
156	E	94.6	Very high	94.6	Very high	66 Å²	66	33.3 Å²	33.3	31%	0.308	18%	0.184	S	C	.	.	H	α-helix	trans	-64.1	-44.1	174.3	-161.6	84.3	-128.8	0	0	110.5	R152 G153 A154 Y158 L159 P160 L381	R152-E156 IonicContact NH2-OE2 3.57Å; R152-E156 PolarHBondContact O-N 3.47Å; G153-E156 PolarHBondContact O-N 2.87Å; A154-E156 VanDerWaalsContact C-N 3.31Å; A154-E156 PolarHBondContact O-N 2.74Å; E156-Y158 VanDerWaalsContact C-N 3.32Å; E156-Y158 PolarHBondContact O-N 3.36Å; E156-L159 PolarHBondContact O-N 3.03Å; E156-P160 WeakPolarHBondContact O-CD 3.46Å; E156-L381 HydrophobicContact CB-CD1 3.97Å; E156-L381 HydrophobicContact CB-CG 4.31Å; E156-L381 HydrophobicContact CG-CG 4.49Å; E156-L381 PolarHBondContact OE1-N 3.33Å; E156-L381 VanDerWaalsContact OE2-CB 3.27Å; E156-L381 WeakPolarHBondContact OE2-CB 3.13Å; E156-L381 VanDerWaalsContact OE2-CD1 3.25Å; E156-L381 WeakPolarHBondContact OE2-CD1 3.26Å; E156-L381 VanDerWaalsContact OE2-CG 3.26Å; E156-L381 WeakPolarHBondContact OE2-CG 3.31Å
157	S	92.7	Very high	94.8	Very high	43 Å²	43	33.9 Å²	33.9	30%	0.301	19%	0.186	S	C	.	.	H	α-helix	trans	-67.9	-31.3	177.2	70.7	0	0	0	0	112.8	G153 A154 Y265	G153-S157 PolarHBondContact O-N 3.36Å; G153-S157 VanDerWaalsContact O-N 3.14Å; A154-S157 PolarHBondContact O-N 3.15Å; A154-S157 PolarHBondContact O-OG 3.33Å; S157-Y265 WeakPolarHBondContact O-CE2 3.3Å
158	Y	95.1	Very high	94.9	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-71.7	-31.9	178.4	-65	-10.6	0	0	0	113.7	V149 A154 L155 E156 R161 L162 V197 L198 Y265 Q266 A268 L271 L482	V149-Y158 WeakPolarHBondContact O-CE2 3.35Å; V149-Y158 PolarHBondContact O-OH 3.23Å; A154-Y158 HydrophobicContact CB-CE2 4.24Å; A154-Y158 WeakPolarHBondContact O-CD1 3.41Å; A154-Y158 WeakPolarHBondContact O-CD2 3.31Å; A154-Y158 PolarHBondContact O-N 2.9Å; L155-Y158 HydrophobicContact CD2-CD2 4.14Å; L155-Y158 PolarHBondContact O-N 2.72Å; E156-Y158 VanDerWaalsContact C-N 3.32Å; E156-Y158 PolarHBondContact O-N 3.36Å; Y158-R161 PolarHBondContact O-N 2.95Å; Y158-L162 VanDerWaalsContact O-CB 3.23Å; Y158-L162 WeakPolarHBondContact O-CB 3.31Å; Y158-L162 PolarHBondContact O-N 3.21Å; Y158-V197 HydrophobicContact CD1-CG1 4.11Å; Y158-V197 HydrophobicContact CD2-CG1 4.48Å; Y158-V197 HydrophobicContact CG-CG1 3.82Å; Y158-L198 HydrophobicContact CD2-CD2 3.95Å; Y158-L198 HydrophobicContact CE2-CD2 3.62Å; Y158-Y265 AromaticContact CD1-CE2 3.94Å; Y158-Y265 HydrophobicContact CD1-CE2 3.94Å; Y158-Y265 AromaticContact CD1-CZ 3.78Å; Y158-Y265 WeakPolarHBondContact CD1-OH 3.33Å; Y158-Y265 HydrophobicContact CE1-CE2 4.49Å; Y158-Q266 WeakPolarHBondContact CE1-O 3.24Å; Y158-A268 WeakPolarHBondContact OH-CA 3.42Å; Y158-A268 PolarHBondContact OH-N 3.46Å; Y158-A268 VanDerWaalsContact OH-N 3.1Å; Y158-L271 VanDerWaalsContact OH-CD1 3.26Å; Y158-L271 WeakPolarHBondContact OH-CD1 3.48Å; Y158-L482 HydrophobicContact CD2-CD1 4.49Å
159	L	96	Very high	95.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.8	-46.5	-166.3	175.4	57.6	0	0	0	113.9	L155 E156 R161 L162 Q163 L379 S380 L381 L384 I485	L155-L159 PolarHBondContact O-N 3.42Å; E156-L159 PolarHBondContact O-N 3.03Å; L159-R161 PolarHBondContact O-N 3.26Å; L159-L162 WeakPolarHBondContact O-CB 3.45Å; L159-L162 PolarHBondContact O-N 3.48Å; L159-Q163 WeakPolarHBondContact O-CB 3.2Å; L159-Q163 PolarHBondContact O-N 3.41Å; L159-L379 HydrophobicContact CD1-CB 4.45Å; L159-L379 HydrophobicContact CD2-CB 4.13Å; L159-L379 WeakPolarHBondContact CD2-O 3.16Å; L159-L379 HydrophobicContact CG-CB 4.46Å; L159-L379 WeakPolarHBondContact CG-O 3.18Å; L159-S380 VanDerWaalsContact CD2-C 3.41Å; L159-L381 HydrophobicContact CD2-CD2 4.02Å; L159-L381 HydrophobicContact CD2-CG 4.49Å; L159-L384 HydrophobicContact CD1-CD1 4.02Å; L159-L384 HydrophobicContact CD2-CD1 3.87Å; L159-I485 HydrophobicContact CD1-CG2 3.71Å
160	P	94.8	Very high	95.2	Very high	54 Å²	54	31.6 Å²	31.6	35%	0.351	18%	0.175	S	C	.	.	H	α-helix	trans	-58.9	-50.3	178.4	-25.4	35.2	0	0	0	112.4	E156 L162 Q163 D164 Y378	E156-P160 WeakPolarHBondContact O-CD 3.46Å; P160-L162 VanDerWaalsContact C-N 3.28Å; P160-L162 PolarHBondContact O-N 2.84Å; P160-Q163 WeakPolarHBondContact O-CB 3.38Å; P160-Q163 PolarHBondContact O-N 2.9Å; P160-Q163 VanDerWaalsContact O-N 3.14Å; P160-D164 PolarHBondContact O-N 2.95Å; P160-Y378 HydrophobicContact CB-CD1 4.34Å; P160-Y378 HydrophobicContact CB-CE1 4.5Å
161	R	94.3	Very high	95.2	Very high	83 Å²	83	31.5 Å²	31.5	31%	0.313	18%	0.178	S	C	.	.	H	α-helix	trans	-63.4	-34.6	178.4	-65.1	-171.3	-179.9	-168	-0.2	112.3	Y158 L159 V165 V197 Y265	Y158-R161 PolarHBondContact O-N 2.95Å; L159-R161 PolarHBondContact O-N 3.26Å; R161-V165 VanDerWaalsContact O-CG2 3.31Å; R161-V165 WeakPolarHBondContact O-CG2 3.39Å; R161-V165 PolarHBondContact O-N 2.94Å; R161-V197 HydrophobicContact CB-CG2 4.26Å; R161-Y265 HydrophobicContact CG-CE2 4.39Å
162	L	96.1	Very high	95.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.1	-44.7	175.6	-179.6	161.2	0	0	0	110.9	Y158 L159 P160 D164 V165 I166 I193 V197 L482 I485 I486 T489	Y158-L162 VanDerWaalsContact O-CB 3.23Å; Y158-L162 WeakPolarHBondContact O-CB 3.31Å; Y158-L162 PolarHBondContact O-N 3.21Å; L159-L162 WeakPolarHBondContact O-CB 3.45Å; L159-L162 PolarHBondContact O-N 3.48Å; P160-L162 VanDerWaalsContact C-N 3.28Å; P160-L162 PolarHBondContact O-N 2.84Å; L162-D164 VanDerWaalsContact C-N 3.34Å; L162-V165 PolarHBondContact O-N 3.21Å; L162-I166 HydrophobicContact CD2-CD1 3.49Å; L162-I166 VanDerWaalsContact CD2-CD1 3.49Å; L162-I166 HydrophobicContact CD2-CG1 4.34Å; L162-I166 WeakPolarHBondContact O-CG1 3.27Å; L162-I166 PolarHBondContact O-N 3.12Å; L162-I166 VanDerWaalsContact O-N 3.07Å; L162-I193 HydrophobicContact CG-CG2 4.49Å; L162-V197 HydrophobicContact CB-CG2 4.41Å; L162-L482 HydrophobicContact CD1-CD1 3.83Å; L162-I485 HydrophobicContact CD1-CG2 4.08Å; L162-I485 HydrophobicContact CD2-CG2 4.46Å; L162-I486 HydrophobicContact CD1-CD1 4.45Å; L162-I486 HydrophobicContact CD1-CG1 3.6Å; L162-I486 HydrophobicContact CD2-CG1 4.34Å; L162-I486 HydrophobicContact CG-CG1 4.22Å; L162-T489 HydrophobicContact CD2-CG2 4.09Å
163	Q	97.6	Very high	95.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.6	-41.1	177	-171.6	178.1	1.2	0	0	111.1	L159 P160 V165 I166 K167 P377 Y378 T489 E493	L159-Q163 WeakPolarHBondContact O-CB 3.2Å; L159-Q163 PolarHBondContact O-N 3.41Å; P160-Q163 WeakPolarHBondContact O-CB 3.38Å; P160-Q163 PolarHBondContact O-N 2.9Å; P160-Q163 VanDerWaalsContact O-N 3.14Å; Q163-V165 VanDerWaalsContact C-N 3.35Å; Q163-V165 PolarHBondContact O-N 3.08Å; Q163-I166 PolarHBondContact O-N 3.32Å; Q163-I166 VanDerWaalsContact O-N 3.15Å; Q163-K167 HydrophobicContact CG-CD 4.24Å; Q163-K167 HydrophobicContact CG-CG 4.43Å; Q163-K167 WeakPolarHBondContact O-CB 3.42Å; Q163-K167 WeakPolarHBondContact O-CG 3.35Å; Q163-K167 PolarHBondContact O-N 2.8Å; Q163-P377 PolarHBondContact NE2-O 2.97Å; Q163-Y378 VanDerWaalsContact OE1-CA 3.32Å; Q163-T489 HydrophobicContact CB-CG2 4.03Å; Q163-T489 HydrophobicContact CG-CG2 3.93Å; Q163-E493 VanDerWaalsContact CG-OE1 3.3Å; Q163-E493 WeakPolarHBondContact CG-OE1 3.39Å; Q163-E493 PolarHBondContact NE2-OE1 2.91Å
164	D	95.9	Very high	95.4	Very high	32 Å²	32	24.1 Å²	24.1	17%	0.171	13%	0.131	C	C	.	.	H	α-helix	trans	-58.3	-44.9	174.9	-68.4	-26.2	0	0	0	112.7	P160 L162 I166 K167 A168 Y378	P160-D164 PolarHBondContact O-N 2.95Å; L162-D164 VanDerWaalsContact C-N 3.34Å; D164-I166 VanDerWaalsContact C-N 3.3Å; D164-I166 PolarHBondContact O-N 2.92Å; D164-K167 PolarHBondContact O-N 3.36Å; D164-A168 VanDerWaalsContact O-CB 3.3Å; D164-A168 WeakPolarHBondContact O-CB 3.35Å; D164-A168 PolarHBondContact O-N 2.8Å; D164-Y378 VanDerWaalsContact OD1-CE1 3.28Å; D164-Y378 WeakPolarHBondContact OD1-CE1 3.17Å; D164-Y378 PolarHBondContact OD1-OH 3.19Å
165	V	96.2	Very high	95.4	Very high	11 Å²	11	28 Å²	28	7%	0.067	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-37.4	178.1	176.8	0	0	0	0	111	R161 L162 Q163 E169 L189 R192 I193 V197	R161-V165 VanDerWaalsContact O-CG2 3.31Å; R161-V165 WeakPolarHBondContact O-CG2 3.39Å; R161-V165 PolarHBondContact O-N 2.94Å; L162-V165 PolarHBondContact O-N 3.21Å; Q163-V165 VanDerWaalsContact C-N 3.35Å; Q163-V165 PolarHBondContact O-N 3.08Å; V165-E169 WeakPolarHBondContact O-CB 3.44Å; V165-E169 PolarHBondContact O-N 3.23Å; V165-E169 VanDerWaalsContact O-N 3.12Å; V165-L189 HydrophobicContact CG1-CD1 3.89Å; V165-R192 HydrophobicContact CG1-CB 4.01Å; V165-I193 HydrophobicContact CB-CG1 4.24Å; V165-I193 HydrophobicContact CG1-CG1 3.76Å; V165-V197 HydrophobicContact CG2-CG2 4.43Å
166	I	97.8	Very high	95.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.8	-48.5	175.6	-70.5	176.5	0	0	0	110.9	L162 Q163 D164 A168 E169 I170 L189 I193 T489 L490 E493	L162-I166 HydrophobicContact CD2-CD1 3.49Å; L162-I166 VanDerWaalsContact CD2-CD1 3.49Å; L162-I166 HydrophobicContact CD2-CG1 4.34Å; L162-I166 WeakPolarHBondContact O-CG1 3.27Å; L162-I166 PolarHBondContact O-N 3.12Å; L162-I166 VanDerWaalsContact O-N 3.07Å; Q163-I166 PolarHBondContact O-N 3.32Å; Q163-I166 VanDerWaalsContact O-N 3.15Å; D164-I166 VanDerWaalsContact C-N 3.3Å; D164-I166 PolarHBondContact O-N 2.92Å; I166-A168 PolarHBondContact O-N 3.39Å; I166-E169 PolarHBondContact O-N 2.93Å; I166-E169 VanDerWaalsContact O-N 3.13Å; I166-I170 HydrophobicContact CG2-CD1 3.71Å; I166-I170 HydrophobicContact CG2-CG1 4.39Å; I166-I170 WeakPolarHBondContact O-CG1 3.37Å; I166-I170 PolarHBondContact O-N 3.48Å; I166-L189 HydrophobicContact CG1-CD1 4.12Å; I166-L189 HydrophobicContact CG1-CD2 4.44Å; I166-I193 HydrophobicContact CG1-CD1 4.25Å; I166-T489 HydrophobicContact CD1-CG2 3.72Å; I166-L490 HydrophobicContact CD1-CB 4.37Å; I166-L490 HydrophobicContact CG2-CD1 4.03Å; I166-E493 HydrophobicContact CG2-CB 4.05Å; I166-E493 HydrophobicContact CG2-CG 3.95Å
167	K	96	Very high	94.9	Very high	23 Å²	23	35.6 Å²	35.6	10%	0.1	20%	0.204	C	C	.	.	H	α-helix	trans	-56.3	-49.2	177.2	-76.5	177	175.5	176.2	0	111.4	Q163 D164 E169 I170 A171 H375 V376 E493	Q163-K167 HydrophobicContact CG-CD 4.24Å; Q163-K167 HydrophobicContact CG-CG 4.43Å; Q163-K167 WeakPolarHBondContact O-CB 3.42Å; Q163-K167 WeakPolarHBondContact O-CG 3.35Å; Q163-K167 PolarHBondContact O-N 2.8Å; D164-K167 PolarHBondContact O-N 3.36Å; K167-E169 VanDerWaalsContact C-N 3.27Å; K167-E169 PolarHBondContact O-N 3.49Å; K167-I170 PolarHBondContact O-N 3Å; K167-A171 WeakPolarHBondContact O-CB 3.31Å; K167-A171 PolarHBondContact O-N 3.42Å; K167-H375 PolarHBondContact NZ-CD2 3.03Å; K167-H375 PolarHBondContact NZ-NE2 2.7Å; K167-V376 WeakPolarHBondContact CE-O 3.29Å; K167-V376 PolarHBondContact NZ-O 3.06Å; K167-E493 VanDerWaalsContact CE-CD 3.5Å; K167-E493 WeakPolarHBondContact CE-OE1 3.45Å; K167-E493 WeakPolarHBondContact CE-OE2 3.44Å; K167-E493 HydrophobicContact CG-CG 4.39Å; K167-E493 WeakPolarHBondContact CG-OE2 3.41Å; K167-E493 IonicContact NZ-OE1 2.63Å
168	A	94.8	Very high	94.9	Very high	36 Å²	36	35.2 Å²	35.2	30%	0.298	21%	0.207	S	C	.	.	H	α-helix	trans	-62	-35.2	178.4	0	0	0	0	0	112.4	D164 I166 K172	D164-A168 VanDerWaalsContact O-CB 3.3Å; D164-A168 WeakPolarHBondContact O-CB 3.35Å; D164-A168 PolarHBondContact O-N 2.8Å; I166-A168 PolarHBondContact O-N 3.39Å; A168-K172 WeakPolarHBondContact O-CG 3.33Å; A168-K172 PolarHBondContact O-N 2.93Å
169	E	95.3	Very high	94.9	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-72.8	-43	176.9	-175.8	67.2	178.7	0	0	112.4	V165 I166 K167 A171 K172 W173 L189 R192	V165-E169 WeakPolarHBondContact O-CB 3.44Å; V165-E169 PolarHBondContact O-N 3.23Å; V165-E169 VanDerWaalsContact O-N 3.12Å; I166-E169 PolarHBondContact O-N 2.93Å; I166-E169 VanDerWaalsContact O-N 3.13Å; K167-E169 VanDerWaalsContact C-N 3.27Å; K167-E169 PolarHBondContact O-N 3.49Å; E169-A171 VanDerWaalsContact C-N 3.32Å; E169-A171 PolarHBondContact O-N 3.42Å; E169-K172 WeakPolarHBondContact O-CB 3.34Å; E169-K172 PolarHBondContact O-N 2.89Å; E169-K172 VanDerWaalsContact O-N 3.16Å; E169-W173 VanDerWaalsContact CD-NE1 3.33Å; E169-W173 HydrophobicContact CG-CZ2 3.7Å; E169-W173 VanDerWaalsContact CG-NE1 3.32Å; E169-W173 PolarHBondContact O-N 2.81Å; E169-W173 PolarHBondContact O-NE1 3.2Å; E169-W173 PolarHBondContact OE1-NE1 2.74Å; E169-L189 HydrophobicContact CB-CD1 3.84Å; E169-L189 HydrophobicContact CG-CB 4.04Å; E169-L189 HydrophobicContact CG-CD1 4.05Å; E169-L189 HydrophobicContact CG-CD2 4.36Å; E169-L189 HydrophobicContact CG-CG 4.36Å; E169-R192 IonicContact OE1-NH2 3.54Å; E169-R192 IonicContact OE2-CZ 3.9Å; E169-R192 IonicContact OE2-NH1 3.73Å; E169-R192 PolarHBondContact OE2-NH1 2.61Å; E169-R192 IonicContact OE2-NH2 2.81Å; E169-R192 PolarHBondContact OE2-NH2 3.18Å
170	I	96.1	Very high	95	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-42.7	174.8	-70.6	170	0	0	0	110.5	I166 K167 K172 W173 V174 L490 E493 L494 C498	I166-I170 HydrophobicContact CG2-CD1 3.71Å; I166-I170 HydrophobicContact CG2-CG1 4.39Å; I166-I170 WeakPolarHBondContact O-CG1 3.37Å; I166-I170 PolarHBondContact O-N 3.48Å; K167-I170 PolarHBondContact O-N 3Å; I170-K172 VanDerWaalsContact C-N 3.27Å; I170-K172 PolarHBondContact O-N 3.16Å; I170-W173 HydrophobicContact CG1-CE3 4.34Å; I170-W173 HydrophobicContact CG1-CZ3 4.42Å; I170-W173 WeakPolarHBondContact O-CA 3.48Å; I170-W173 WeakPolarHBondContact O-CB 3.42Å; I170-W173 PolarHBondContact O-N 2.96Å; I170-V174 HydrophobicContact CG2-CG2 4.44Å; I170-V174 WeakPolarHBondContact O-CG2 3.42Å; I170-V174 PolarHBondContact O-N 2.89Å; I170-L490 HydrophobicContact CD1-CD1 4.22Å; I170-E493 HydrophobicContact CD1-CB 3.43Å; I170-E493 VanDerWaalsContact CD1-CB 3.43Å; I170-L494 HydrophobicContact CD1-CD2 3.95Å; I170-L494 HydrophobicContact CD1-CG 4.01Å; I170-L494 HydrophobicContact CG1-CD2 4.02Å; I170-C498 WeakPolarHBondContact CG2-SG 3.34Å
171	A	95.1	Very high	95.1	Very high	21 Å²	21	38.6 Å²	38.6	17%	0.174	23%	0.226	C	C	.	.	H	α-helix	trans	-58.2	-40	175.1	0	0	0	0	0	111.9	K167 E169 V174 S175	K167-A171 WeakPolarHBondContact O-CB 3.31Å; K167-A171 PolarHBondContact O-N 3.42Å; E169-A171 VanDerWaalsContact C-N 3.32Å; E169-A171 PolarHBondContact O-N 3.42Å; A171-V174 PolarHBondContact O-N 2.91Å; A171-S175 WeakPolarHBondContact O-CB 3.44Å; A171-S175 PolarHBondContact O-N 2.82Å; A171-S175 PolarHBondContact O-OG 3.27Å
172	K	94.3	Very high	95.3	Very high	83 Å²	83	34.6 Å²	34.6	36%	0.361	21%	0.211	S	C	.	.	H	α-helix	trans	-61.7	-44.1	172.3	-72.1	172.7	-177.3	-176.7	0	111.4	A168 E169 I170 V174 S175 E176 R192 E205	A168-K172 WeakPolarHBondContact O-CG 3.33Å; A168-K172 PolarHBondContact O-N 2.93Å; E169-K172 WeakPolarHBondContact O-CB 3.34Å; E169-K172 PolarHBondContact O-N 2.89Å; E169-K172 VanDerWaalsContact O-N 3.16Å; I170-K172 VanDerWaalsContact C-N 3.27Å; I170-K172 PolarHBondContact O-N 3.16Å; K172-V174 VanDerWaalsContact C-N 3.33Å; K172-V174 PolarHBondContact O-N 3.33Å; K172-S175 WeakPolarHBondContact CA-OG 3.35Å; K172-S175 PolarHBondContact O-N 3.29Å; K172-S175 PolarHBondContact O-OG 3.37Å; K172-E176 PolarHBondContact O-N 3.06Å; K172-R192 VanDerWaalsContact NZ-NH1 3.13Å; K172-E205 IonicContact NZ-OE1 3.78Å; K172-E205 PolarHBondContact NZ-OE1 3.23Å
173	W	95.6	Very high	95.4	Very high	6 Å²	6	36.3 Å²	36.3	2%	0.023	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-39.6	179.4	-60.9	-4.6	0	0	0	112.7	E169 I170 I180 A185 L490 L494 F526	E169-W173 VanDerWaalsContact CD-NE1 3.33Å; E169-W173 HydrophobicContact CG-CZ2 3.7Å; E169-W173 VanDerWaalsContact CG-NE1 3.32Å; E169-W173 PolarHBondContact O-N 2.81Å; E169-W173 PolarHBondContact O-NE1 3.2Å; E169-W173 PolarHBondContact OE1-NE1 2.74Å; I170-W173 HydrophobicContact CG1-CE3 4.34Å; I170-W173 HydrophobicContact CG1-CZ3 4.42Å; I170-W173 WeakPolarHBondContact O-CA 3.48Å; I170-W173 WeakPolarHBondContact O-CB 3.42Å; I170-W173 PolarHBondContact O-N 2.96Å; W173-I180 HydrophobicContact CB-CG1 4.08Å; W173-I180 HydrophobicContact CG-CG1 4.37Å; W173-I180 HydrophobicContact CG-CG2 4.32Å; W173-A185 HydrophobicContact CZ2-CB 3.81Å; W173-L490 HydrophobicContact CH2-CD1 4.38Å; W173-L494 HydrophobicContact CE3-CD2 4.35Å; W173-L494 HydrophobicContact CZ3-CD2 4.11Å; W173-F526 HydrophobicContact CB-CB 4.44Å; W173-F526 HydrophobicContact CB-CD2 3.93Å; W173-F526 HydrophobicContact CB-CE2 4.41Å; W173-F526 HydrophobicContact CB-CG 4.17Å; W173-F526 HydrophobicContact CD2-CE2 4.49Å; W173-F526 HydrophobicContact CE3-CD1 4.41Å; W173-F526 AromaticContact CE3-CE1 3.95Å; W173-F526 HydrophobicContact CE3-CE1 3.95Å; W173-F526 HydrophobicContact CE3-CE2 4.04Å; W173-F526 AromaticContact CE3-CZ 3.74Å; W173-F526 HydrophobicContact CE3-CZ 3.74Å; W173-F526 HydrophobicContact CZ3-CE1 4.4Å; W173-F526 HydrophobicContact CZ3-CZ 4.17Å
174	V	95	Very high	95.3	Very high	23 Å²	23	37.3 Å²	37.3	14%	0.139	23%	0.228	C	C	.	.	H	α-helix	trans	-72.7	-34.1	177.8	175.3	0	0	0	0	111.9	I170 A171 K172 E176 F526 Y528	I170-V174 HydrophobicContact CG2-CG2 4.44Å; I170-V174 WeakPolarHBondContact O-CG2 3.42Å; I170-V174 PolarHBondContact O-N 2.89Å; A171-V174 PolarHBondContact O-N 2.91Å; K172-V174 VanDerWaalsContact C-N 3.33Å; K172-V174 PolarHBondContact O-N 3.33Å; V174-E176 VanDerWaalsContact C-N 3.25Å; V174-E176 PolarHBondContact O-N 3.01Å; V174-F526 HydrophobicContact CG2-CB 3.9Å; V174-Y528 HydrophobicContact CB-CD2 4.47Å; V174-Y528 HydrophobicContact CB-CE2 4.14Å; V174-Y528 HydrophobicContact CG1-CD1 4.41Å; V174-Y528 HydrophobicContact CG1-CD2 3.45Å; V174-Y528 VanDerWaalsContact CG1-CD2 3.45Å; V174-Y528 HydrophobicContact CG1-CE1 4.45Å; V174-Y528 HydrophobicContact CG1-CE2 3.48Å; V174-Y528 VanDerWaalsContact CG1-CE2 3.48Å; V174-Y528 HydrophobicContact CG1-CG 3.93Å; V174-Y528 HydrophobicContact CG2-CD1 4.48Å; V174-Y528 HydrophobicContact CG2-CE1 4.35Å
175	S	93.3	Very high	95.3	Very high	87 Å²	87	36.4 Å²	36.4	61%	0.608	22%	0.224	S	C	*	.	H	α-helix	trans	-72.9	-16.3	179.2	69	0	0	0	0	114.2	A171 K172 P177	A171-S175 WeakPolarHBondContact O-CB 3.44Å; A171-S175 PolarHBondContact O-N 2.82Å; A171-S175 PolarHBondContact O-OG 3.27Å; K172-S175 WeakPolarHBondContact CA-OG 3.35Å; K172-S175 PolarHBondContact O-N 3.29Å; K172-S175 PolarHBondContact O-OG 3.37Å; S175-P177 WeakPolarHBondContact O-CD 3.4Å
176	E	92.6	Very high	95.4	Very high	104 Å²	104	35.9 Å²	35.9	49%	0.486	22%	0.221	S	C	.	.			trans	-74.8	123.5	-179.4	-170.3	66.5	-147.6	0	0	110.3	K172 V174 G178 I180	K172-E176 PolarHBondContact O-N 3.06Å; V174-E176 VanDerWaalsContact C-N 3.25Å; V174-E176 PolarHBondContact O-N 3.01Å; E176-G178 PolarHBondContact O-N 2.95Å; E176-I180 HydrophobicContact CB-CD1 3.58Å; E176-I180 HydrophobicContact CB-CG1 4.3Å; E176-I180 HydrophobicContact CG-CD1 3.67Å
177	P	87.7	Confident	95.3	Very high	129 Å²	129	37.9 Å²	37.9	84%	0.838	23%	0.23	S	C	*	.	S	Bend	trans	-65.2	-22.4	-179.8	-21.7	32.9	0	0	0	113.9	S175	S175-P177 WeakPolarHBondContact O-CD 3.4Å
178	G	93.3	Very high	95.3	Very high	34 Å²	34	39 Å²	39	35%	0.351	24%	0.241	S	C	.	.	S	Bend	trans	-99.5	-171	-176.8	0	0	0	0	0	114	E176	E176-G178 PolarHBondContact O-N 2.95Å
179	S	96	Very high	95.3	Very high	50 Å²	50	37.3 Å²	37.3	35%	0.35	23%	0.227	S	C	.	.			trans	-81.2	137	170.3	61.2	0	0	0	0	111.3	V524	S179-V524 CarbonylContact C-O 3.56Å; S179-V524 WeakPolarHBondContact CA-O 3.31Å
180	I	97.6	Very high	95.4	Very high	23 Å²	23	37 Å²	37	12%	0.118	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	131	174.1	-63	-67.4	0	0	0	109.9	W173 E176 V182 A185 H523 V524 F526	W173-I180 HydrophobicContact CB-CG1 4.08Å; W173-I180 HydrophobicContact CG-CG1 4.37Å; W173-I180 HydrophobicContact CG-CG2 4.32Å; E176-I180 HydrophobicContact CB-CD1 3.58Å; E176-I180 HydrophobicContact CB-CG1 4.3Å; E176-I180 HydrophobicContact CG-CD1 3.67Å; I180-V182 PolarHBondContact O-N 3.38Å; I180-A185 HydrophobicContact CG2-CB 3.76Å; I180-H523 CarbonylContact O-C 3.48Å; I180-H523 VanDerWaalsContact O-CA 3.27Å; I180-H523 WeakPolarHBondContact O-CA 3.25Å; I180-V524 PolarHBondContact N-O 2.94Å; I180-V524 PolarHBondContact O-N 3.36Å; I180-F526 HydrophobicContact CB-CD2 4.31Å; I180-F526 HydrophobicContact CB-CE2 4.11Å; I180-F526 HydrophobicContact CG1-CD2 4.21Å; I180-F526 HydrophobicContact CG1-CE2 4.48Å; I180-F526 HydrophobicContact CG2-CE2 4.5Å
181	D	97.5	Very high	95.4	Very high	53 Å²	53	36.9 Å²	36.9	28%	0.283	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	99.4	159.1	173.7	24.1	0	0	0	109.4	Y183 G184 A185 G521 L522	D181-Y183 PolarHBondContact O-N 2.86Å; D181-Y183 PolarHBondContact OD1-N 3.23Å; D181-Y183 VanDerWaalsContact OD1-N 3.1Å; D181-G184 PolarHBondContact O-N 3.17Å; D181-G184 PolarHBondContact OD2-N 2.91Å; D181-G184 VanDerWaalsContact OD2-N 3.14Å; D181-A185 WeakPolarHBondContact O-CB 3.42Å; D181-A185 PolarHBondContact O-N 3.15Å; D181-G521 WeakPolarHBondContact OD1-CA 3.31Å; D181-L522 WeakPolarHBondContact CA-O 3.34Å; D181-L522 PolarHBondContact OD1-N 3.31Å
182	V	98.1	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-28.8	-177.6	176.9	0	0	0	0	111.8	I180 A186 T308 V311 L522 V524 F526	I180-V182 PolarHBondContact O-N 3.38Å; V182-A186 WeakPolarHBondContact O-CB 3.34Å; V182-A186 PolarHBondContact O-N 2.85Å; V182-T308 HydrophobicContact CG1-CG2 4.3Å; V182-V311 HydrophobicContact CG1-CB 4.04Å; V182-V311 HydrophobicContact CG1-CG1 4.13Å; V182-V311 HydrophobicContact CG1-CG2 4.03Å; V182-V311 HydrophobicContact CG2-CG1 4.28Å; V182-L522 HydrophobicContact CB-CB 4.2Å; V182-L522 HydrophobicContact CB-CD2 4.11Å; V182-L522 HydrophobicContact CB-CG 4.19Å; V182-L522 WeakPolarHBondContact CB-O 3.31Å; V182-L522 HydrophobicContact CG1-CD2 4.31Å; V182-L522 HydrophobicContact CG2-CD2 4.4Å; V182-L522 HydrophobicContact CG2-CG 4.32Å; V182-L522 WeakPolarHBondContact CG2-O 3.41Å; V182-L522 PolarHBondContact N-O 3.33Å; V182-V524 HydrophobicContact CG2-CB 3.85Å; V182-V524 HydrophobicContact CG2-CG2 3.64Å; V182-F526 HydrophobicContact CG2-CE2 3.96Å; V182-F526 HydrophobicContact CG2-CZ 3.91Å
183	Y	97.4	Very high	95.3	Very high	36 Å²	36	33.2 Å²	33.2	14%	0.141	20%	0.204	C	C	.	.	H	α-helix	trans	-73	-46.4	177.9	-175.8	-125.1	0	0	0	112.1	D181 A185 A186 K187 T308 H517 P518	D181-Y183 PolarHBondContact O-N 2.86Å; D181-Y183 PolarHBondContact OD1-N 3.23Å; D181-Y183 VanDerWaalsContact OD1-N 3.1Å; Y183-A185 VanDerWaalsContact C-N 3.32Å; Y183-A185 PolarHBondContact O-N 3.01Å; Y183-A186 PolarHBondContact O-N 3.13Å; Y183-K187 HydrophobicContact CE1-CD 4.38Å; Y183-K187 HydrophobicContact CE2-CG 4.47Å; Y183-K187 WeakPolarHBondContact O-CG 3.4Å; Y183-K187 PolarHBondContact O-N 2.76Å; Y183-T308 WeakPolarHBondContact CA-OG1 3.46Å; Y183-H517 HydrophobicContact CD1-CB 4.19Å; Y183-H517 HydrophobicContact CD2-CB 4.15Å; Y183-H517 HydrophobicContact CE1-CB 3.73Å; Y183-H517 HydrophobicContact CE2-CB 3.7Å; Y183-H517 HydrophobicContact CG-CB 4.38Å; Y183-H517 VanDerWaalsContact CZ-CB 3.47Å; Y183-P518 HydrophobicContact CG-CG 4.48Å
184	G	96	Very high	95.2	Very high	21 Å²	21	33 Å²	33	22%	0.216	20%	0.204	C	C	.	.	H	α-helix	trans	-58.5	-42.8	171.4	0	0	0	0	0	112.8	D181 K187 S188	D181-G184 PolarHBondContact O-N 3.17Å; D181-G184 PolarHBondContact OD2-N 2.91Å; D181-G184 VanDerWaalsContact OD2-N 3.14Å; G184-K187 PolarHBondContact O-N 3.23Å; G184-S188 PolarHBondContact O-N 3.46Å; G184-S188 VanDerWaalsContact O-N 3.15Å; G184-S188 PolarHBondContact O-OG 3.36Å; G184-S188 VanDerWaalsContact O-OG 3.1Å
185	A	96.6	Very high	95	Very high	12 Å²	12	31.9 Å²	31.9	10%	0.099	20%	0.197	C	C	.	.	H	α-helix	trans	-67.1	-45.4	177.8	0	0	0	0	0	112.6	W173 I180 D181 Y183 K187 S188 L189	W173-A185 HydrophobicContact CZ2-CB 3.81Å; I180-A185 HydrophobicContact CG2-CB 3.76Å; D181-A185 WeakPolarHBondContact O-CB 3.42Å; D181-A185 PolarHBondContact O-N 3.15Å; Y183-A185 VanDerWaalsContact C-N 3.32Å; Y183-A185 PolarHBondContact O-N 3.01Å; A185-K187 VanDerWaalsContact C-N 3.31Å; A185-K187 PolarHBondContact O-N 2.88Å; A185-S188 CarbonylContact O-C 3.53Å; A185-S188 WeakPolarHBondContact O-CA 3.49Å; A185-S188 WeakPolarHBondContact O-CB 3.47Å; A185-S188 PolarHBondContact O-N 3.17Å; A185-L189 WeakPolarHBondContact O-CB 3.44Å; A185-L189 PolarHBondContact O-N 3.21Å
186	A	97.8	Very high	94.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-34.6	177	0	0	0	0	0	112.7	V182 Y183 T190 A304	V182-A186 WeakPolarHBondContact O-CB 3.34Å; V182-A186 PolarHBondContact O-N 2.85Å; Y183-A186 PolarHBondContact O-N 3.13Å; A186-T190 WeakPolarHBondContact O-CB 3.46Å; A186-T190 VanDerWaalsContact O-CG2 3.24Å; A186-T190 WeakPolarHBondContact O-CG2 3.29Å; A186-T190 PolarHBondContact O-N 2.96Å; A186-T190 PolarHBondContact O-OG1 3.27Å; A186-A304 HydrophobicContact CB-CB 4.08Å
187	K	96.1	Very high	94.6	Very high	41 Å²	41	26.6 Å²	26.6	18%	0.178	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-45.1	169.9	-78.5	-171.6	-65.1	158.6	0	111.5	Y183 G184 A185 T190 F191 E216 H300 A304	Y183-K187 HydrophobicContact CE1-CD 4.38Å; Y183-K187 HydrophobicContact CE2-CG 4.47Å; Y183-K187 WeakPolarHBondContact O-CG 3.4Å; Y183-K187 PolarHBondContact O-N 2.76Å; G184-K187 PolarHBondContact O-N 3.23Å; A185-K187 VanDerWaalsContact C-N 3.31Å; A185-K187 PolarHBondContact O-N 2.88Å; K187-T190 PolarHBondContact O-OG1 3.34Å; K187-T190 VanDerWaalsContact O-OG1 3.07Å; K187-F191 WeakPolarHBondContact O-CB 3.43Å; K187-F191 PolarHBondContact O-N 3.25Å; K187-E216 IonicContact NZ-OE1 2.88Å; K187-E216 PolarHBondContact NZ-OE1 3.27Å; K187-H300 PolarHBondContact O-CE1 3.18Å; K187-H300 PolarHBondContact O-ND1 3.05Å; K187-H300 VanDerWaalsContact O-ND1 3.12Å; K187-A304 HydrophobicContact CB-CB 4.42Å; K187-A304 HydrophobicContact CG-CB 3.84Å
188	S	94.9	Very high	94.7	Very high	47 Å²	47	20.5 Å²	20.5	33%	0.329	12%	0.12	S	C	.	.	H	α-helix	trans	-64.2	-44.6	178.1	-59.2	0	0	0	0	111.9	G184 A185 F191 R192	G184-S188 PolarHBondContact O-N 3.46Å; G184-S188 VanDerWaalsContact O-N 3.15Å; G184-S188 PolarHBondContact O-OG 3.36Å; G184-S188 VanDerWaalsContact O-OG 3.1Å; A185-S188 CarbonylContact O-C 3.53Å; A185-S188 WeakPolarHBondContact O-CA 3.49Å; A185-S188 WeakPolarHBondContact O-CB 3.47Å; A185-S188 PolarHBondContact O-N 3.17Å; S188-F191 PolarHBondContact O-N 3.38Å; S188-R192 PolarHBondContact O-N 3.14Å
189	L	96.3	Very high	94.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-55.5	-55.2	175	175.6	52.4	0	0	0	111.8	V165 I166 E169 A185 F191 R192 I193 L490	V165-L189 HydrophobicContact CG1-CD1 3.89Å; I166-L189 HydrophobicContact CG1-CD1 4.12Å; I166-L189 HydrophobicContact CG1-CD2 4.44Å; E169-L189 HydrophobicContact CB-CD1 3.84Å; E169-L189 HydrophobicContact CG-CB 4.04Å; E169-L189 HydrophobicContact CG-CD1 4.05Å; E169-L189 HydrophobicContact CG-CD2 4.36Å; E169-L189 HydrophobicContact CG-CG 4.36Å; A185-L189 WeakPolarHBondContact O-CB 3.44Å; A185-L189 PolarHBondContact O-N 3.21Å; L189-F191 VanDerWaalsContact C-N 3.32Å; L189-F191 PolarHBondContact O-N 2.94Å; L189-R192 WeakPolarHBondContact O-CB 3.45Å; L189-R192 PolarHBondContact O-N 3.16Å; L189-R192 VanDerWaalsContact O-N 3.11Å; L189-I193 HydrophobicContact CD1-CD1 3.85Å; L189-I193 HydrophobicContact CD1-CG1 4.16Å; L189-I193 HydrophobicContact CG-CD1 4.01Å; L189-I193 WeakPolarHBondContact O-CG1 3.23Å; L189-I193 PolarHBondContact O-N 3.33Å; L189-L490 HydrophobicContact CD2-CD1 4.46Å
190	T	96.4	Very high	93.6	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.012	10%	0.101	C	C	.	.	H	α-helix	trans	-67.8	-33.2	-175.8	53	0	0	0	0	112.6	A186 K187 A194 H300 T303 A304	A186-T190 WeakPolarHBondContact O-CB 3.46Å; A186-T190 VanDerWaalsContact O-CG2 3.24Å; A186-T190 WeakPolarHBondContact O-CG2 3.29Å; A186-T190 PolarHBondContact O-N 2.96Å; A186-T190 PolarHBondContact O-OG1 3.27Å; K187-T190 PolarHBondContact O-OG1 3.34Å; K187-T190 VanDerWaalsContact O-OG1 3.07Å; T190-A194 WeakPolarHBondContact O-CB 3.33Å; T190-A194 PolarHBondContact O-N 2.74Å; T190-H300 PolarHBondContact OG1-ND1 2.86Å; T190-H300 PolarHBondContact OG1-O 2.94Å; T190-T303 HydrophobicContact CG2-CG2 3.78Å; T190-A304 HydrophobicContact CG2-CB 4.29Å
191	F	95.2	Very high	92.6	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-63.1	-45.4	170.4	-171.1	-92	0	0	0	111.2	K187 S188 L189 A194 V195 I208 L211 A212 F215 I296	K187-F191 WeakPolarHBondContact O-CB 3.43Å; K187-F191 PolarHBondContact O-N 3.25Å; S188-F191 PolarHBondContact O-N 3.38Å; L189-F191 VanDerWaalsContact C-N 3.32Å; L189-F191 PolarHBondContact O-N 2.94Å; F191-A194 PolarHBondContact O-N 3.24Å; F191-V195 HydrophobicContact CD1-CG2 4.03Å; F191-V195 HydrophobicContact CE1-CG2 3.58Å; F191-V195 HydrophobicContact CE2-CG2 4.46Å; F191-V195 HydrophobicContact CZ-CG2 3.81Å; F191-V195 WeakPolarHBondContact O-CG2 3.33Å; F191-V195 PolarHBondContact O-N 3.44Å; F191-I208 HydrophobicContact CD1-CG2 4.03Å; F191-I208 HydrophobicContact CE1-CG2 4.12Å; F191-I208 WeakPolarHBondContact CE1-O 3.42Å; F191-L211 HydrophobicContact CE1-CB 4.02Å; F191-L211 HydrophobicContact CZ-CB 3.69Å; F191-A212 HydrophobicContact CD1-CB 3.68Å; F191-A212 HydrophobicContact CD2-CB 4.31Å; F191-A212 HydrophobicContact CE1-CB 3.87Å; F191-A212 HydrophobicContact CE2-CB 4.49Å; F191-A212 HydrophobicContact CG-CB 3.92Å; F191-A212 HydrophobicContact CZ-CB 4.29Å; F191-F215 HydrophobicContact CD2-CB 4.23Å; F191-F215 HydrophobicContact CD2-CD1 4.32Å; F191-F215 HydrophobicContact CD2-CG 4.26Å; F191-F215 HydrophobicContact CE2-CB 3.61Å; F191-F215 HydrophobicContact CE2-CD1 4.35Å; F191-F215 HydrophobicContact CE2-CD2 4.38Å; F191-F215 AromaticContact CE2-CG 3.84Å; F191-F215 HydrophobicContact CE2-CG 3.84Å; F191-F215 HydrophobicContact CZ-CB 4.46Å; F191-I296 HydrophobicContact CD2-CG2 3.76Å; F191-I296 HydrophobicContact CE2-CG2 3.7Å
192	R	94.5	Very high	91.6	Very high	22 Å²	22	22.7 Å²	22.7	8%	0.083	12%	0.121	C	C	.	.	H	α-helix	trans	-62.5	-41.8	176.2	-83.2	-171	-111	139.6	0.4	112.7	V165 E169 K172 S188 L189 V195 R196 E205 I208	V165-R192 HydrophobicContact CG1-CB 4.01Å; E169-R192 IonicContact OE1-NH2 3.54Å; E169-R192 IonicContact OE2-CZ 3.9Å; E169-R192 IonicContact OE2-NH1 3.73Å; E169-R192 PolarHBondContact OE2-NH1 2.61Å; E169-R192 IonicContact OE2-NH2 2.81Å; E169-R192 PolarHBondContact OE2-NH2 3.18Å; K172-R192 VanDerWaalsContact NZ-NH1 3.13Å; S188-R192 PolarHBondContact O-N 3.14Å; L189-R192 WeakPolarHBondContact O-CB 3.45Å; L189-R192 PolarHBondContact O-N 3.16Å; L189-R192 VanDerWaalsContact O-N 3.11Å; R192-V195 PolarHBondContact O-N 3.11Å; R192-R196 WeakPolarHBondContact O-CB 3.01Å; R192-R196 PolarHBondContact O-N 3.39Å; R192-E205 IonicContact CZ-OE1 3.63Å; R192-E205 IonicContact NE-OE1 2.87Å; R192-E205 PolarHBondContact NE-OE1 2.79Å; R192-E205 IonicContact NH1-OE1 2.75Å; R192-E205 IonicContact NH2-OE1 3.84Å; R192-I208 HydrophobicContact CG-CG2 3.65Å
193	I	94.6	Very high	90.8	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-59.5	-48.7	173.4	-68.2	170	0	0	0	110.1	L162 V165 I166 L189 V195 V197 L198 I486	L162-I193 HydrophobicContact CG-CG2 4.49Å; V165-I193 HydrophobicContact CB-CG1 4.24Å; V165-I193 HydrophobicContact CG1-CG1 3.76Å; I166-I193 HydrophobicContact CG1-CD1 4.25Å; L189-I193 HydrophobicContact CD1-CD1 3.85Å; L189-I193 HydrophobicContact CD1-CG1 4.16Å; L189-I193 HydrophobicContact CG-CD1 4.01Å; L189-I193 WeakPolarHBondContact O-CG1 3.23Å; L189-I193 PolarHBondContact O-N 3.33Å; I193-V195 PolarHBondContact O-N 3.46Å; I193-V197 HydrophobicContact CG2-CB 4.32Å; I193-V197 HydrophobicContact CG2-CG2 4.25Å; I193-V197 WeakPolarHBondContact O-CA 3.45Å; I193-V197 WeakPolarHBondContact O-CB 3.5Å; I193-V197 PolarHBondContact O-N 3.1Å; I193-L198 PolarHBondContact O-N 3.42Å; I193-I486 HydrophobicContact CD1-CD1 4.38Å; I193-I486 HydrophobicContact CD1-CG1 4.37Å; I193-I486 HydrophobicContact CD1-CG2 4.18Å; I193-I486 HydrophobicContact CG2-CD1 4.1Å
194	A	92.7	Very high	90.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	15%	0.153	C	C	.	.	I	π-helix	trans	-60.6	-44.2	179.8	0	0	0	0	0	112.3	T190 F191 L198 L199 I296 A299	T190-A194 WeakPolarHBondContact O-CB 3.33Å; T190-A194 PolarHBondContact O-N 2.74Å; F191-A194 PolarHBondContact O-N 3.24Å; A194-L198 WeakPolarHBondContact O-CB 3.4Å; A194-L198 PolarHBondContact O-N 3.38Å; A194-L199 WeakPolarHBondContact O-CG 3.44Å; A194-L199 PolarHBondContact O-N 3.18Å; A194-I296 HydrophobicContact CB-CB 4.48Å; A194-I296 HydrophobicContact CB-CG1 4.09Å; A194-A299 HydrophobicContact CB-CB 4.42Å
195	V	90.2	Very high	89.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	I	π-helix	trans	-72.4	-48.2	-178.1	168.4	0	0	0	0	112.2	F191 R192 I193 L199 G200 L201 M203 I208 I296	F191-V195 HydrophobicContact CD1-CG2 4.03Å; F191-V195 HydrophobicContact CE1-CG2 3.58Å; F191-V195 HydrophobicContact CE2-CG2 4.46Å; F191-V195 HydrophobicContact CZ-CG2 3.81Å; F191-V195 WeakPolarHBondContact O-CG2 3.33Å; F191-V195 PolarHBondContact O-N 3.44Å; R192-V195 PolarHBondContact O-N 3.11Å; I193-V195 PolarHBondContact O-N 3.46Å; V195-L199 CarbonylContact O-C 3.59Å; V195-L199 WeakPolarHBondContact O-CB 3.09Å; V195-G200 PolarHBondContact O-N 2.92Å; V195-L201 HydrophobicContact CG1-CB 3.75Å; V195-L201 HydrophobicContact CG1-CD1 3.89Å; V195-L201 HydrophobicContact CG1-CG 4.27Å; V195-L201 WeakPolarHBondContact O-CB 3.42Å; V195-L201 WeakPolarHBondContact O-CG 3.44Å; V195-L201 PolarHBondContact O-N 3.3Å; V195-M203 HydrophobicContact CG1-SD 3.99Å; V195-I208 HydrophobicContact CG1-CG1 4.44Å; V195-I296 HydrophobicContact CG2-CD1 4.35Å
196	R	88.9	Confident	89.5	Confident	79 Å²	79	38.5 Å²	38.5	30%	0.298	19%	0.188	S	C	.	.	I	π-helix	trans	-82.6	-38.5	-174.5	-67.3	-172.4	174.9	166.5	4.9	113.5	R192 G200 E205 I208	R192-R196 WeakPolarHBondContact O-CB 3.01Å; R192-R196 PolarHBondContact O-N 3.39Å; R196-G200 VanDerWaalsContact O-CA 3.31Å; R196-G200 WeakPolarHBondContact O-CA 3.16Å; R196-E205 IonicContact CZ-OE2 2.65Å; R196-E205 IonicContact NH2-OE2 2.83Å; R196-E205 PolarHBondContact NH2-OE2 2.83Å; R196-I208 HydrophobicContact CG-CD1 4.46Å
197	V	90	Very high	89.1	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.006	21%	0.208	C	C	.	.	I	π-helix	trans	-92.1	-55.8	-173.8	-173.8	0	0	0	0	110.2	Y158 R161 L162 V165 I193 Y265	Y158-V197 HydrophobicContact CD1-CG1 4.11Å; Y158-V197 HydrophobicContact CD2-CG1 4.48Å; Y158-V197 HydrophobicContact CG-CG1 3.82Å; R161-V197 HydrophobicContact CB-CG2 4.26Å; L162-V197 HydrophobicContact CB-CG2 4.41Å; V165-V197 HydrophobicContact CG2-CG2 4.43Å; I193-V197 HydrophobicContact CG2-CB 4.32Å; I193-V197 HydrophobicContact CG2-CG2 4.25Å; I193-V197 WeakPolarHBondContact O-CA 3.45Å; I193-V197 WeakPolarHBondContact O-CB 3.5Å; I193-V197 PolarHBondContact O-N 3.1Å; V197-Y265 WeakPolarHBondContact CG1-OH 2.96Å; V197-Y265 PolarHBondContact O-OH 2.77Å
198	L	88.3	Confident	88.9	Confident	2 Å²	2	42 Å²	42	1%	0.01	20%	0.201	C	C	.	.	I	π-helix	trans	-74.4	-46.3	-176.6	-57.7	179.8	0	0	0	111.9	Y158 I193 A194 D267 A268 A299 L482	Y158-L198 HydrophobicContact CD2-CD2 3.95Å; Y158-L198 HydrophobicContact CE2-CD2 3.62Å; I193-L198 PolarHBondContact O-N 3.42Å; A194-L198 WeakPolarHBondContact O-CB 3.4Å; A194-L198 PolarHBondContact O-N 3.38Å; L198-D267 WeakPolarHBondContact O-CB 3.35Å; L198-A268 HydrophobicContact CB-CB 4.14Å; L198-A268 WeakPolarHBondContact O-CA 3.29Å; L198-A268 WeakPolarHBondContact O-CB 3.24Å; L198-A268 PolarHBondContact O-N 3.38Å; L198-A299 HydrophobicContact CD1-CB 4.4Å; L198-L482 HydrophobicContact CD1-CD2 3.93Å; L198-L482 HydrophobicContact CD2-CD2 3.76Å; L198-L482 HydrophobicContact CG-CD2 4.31Å
199	L	85.1	Confident	88.7	Confident	10 Å²	10	42.8 Å²	42.8	5%	0.052	20%	0.203	C	C	.	.	S	Bend	trans	-90.2	-5.1	-178.2	-58.6	-179.1	0	0	0	113.6	A194 V195 L201 M248 A292 L295 I296	A194-L199 WeakPolarHBondContact O-CG 3.44Å; A194-L199 PolarHBondContact O-N 3.18Å; V195-L199 CarbonylContact O-C 3.59Å; V195-L199 WeakPolarHBondContact O-CB 3.09Å; L199-L201 HydrophobicContact CB-CD1 3.63Å; L199-L201 HydrophobicContact CB-CD2 4.19Å; L199-L201 HydrophobicContact CB-CG 3.54Å; L199-L201 HydrophobicContact CD1-CD1 3.87Å; L199-L201 HydrophobicContact CG-CD1 4.43Å; L199-L201 WeakPolarHBondContact O-CD2 3.19Å; L199-L201 WeakPolarHBondContact O-CG 3.31Å; L199-L201 PolarHBondContact O-N 3.49Å; L199-M248 HydrophobicContact CD1-SD 3.94Å; L199-A292 HydrophobicContact CD1-CB 4.28Å; L199-A292 HydrophobicContact CD2-CB 3.83Å; L199-L295 HydrophobicContact CD2-CD1 4.34Å; L199-I296 HydrophobicContact CD1-CD1 3.7Å; L199-I296 HydrophobicContact CD1-CG1 3.92Å
200	G	80.9	Confident	88.5	Confident	24 Å²	24	48.2 Å²	48.2	25%	0.247	22%	0.224	C	C	.	.			trans	61.1	25.4	179.6	0	0	0	0	0	114.6	V195 R196 Q202 D267	V195-G200 PolarHBondContact O-N 2.92Å; R196-G200 VanDerWaalsContact O-CA 3.31Å; R196-G200 WeakPolarHBondContact O-CA 3.16Å; G200-Q202 PolarHBondContact O-N 3.22Å; G200-D267 WeakPolarHBondContact CA-OD2 3.13Å; G200-D267 PolarHBondContact N-OD2 2.98Å
201	L	77.8	Confident	88.3	Confident	13 Å²	13	48.2 Å²	48.2	7%	0.068	22%	0.224	C	C	.	.			trans	-85.5	113.6	-169.9	-51.8	177.7	0	0	0	111.3	V195 L199 M203 M248 I251	V195-L201 HydrophobicContact CG1-CB 3.75Å; V195-L201 HydrophobicContact CG1-CD1 3.89Å; V195-L201 HydrophobicContact CG1-CG 4.27Å; V195-L201 WeakPolarHBondContact O-CB 3.42Å; V195-L201 WeakPolarHBondContact O-CG 3.44Å; V195-L201 PolarHBondContact O-N 3.3Å; L199-L201 HydrophobicContact CB-CD1 3.63Å; L199-L201 HydrophobicContact CB-CD2 4.19Å; L199-L201 HydrophobicContact CB-CG 3.54Å; L199-L201 HydrophobicContact CD1-CD1 3.87Å; L199-L201 HydrophobicContact CG-CD1 4.43Å; L199-L201 WeakPolarHBondContact O-CD2 3.19Å; L199-L201 WeakPolarHBondContact O-CG 3.31Å; L199-L201 PolarHBondContact O-N 3.49Å; L201-M203 HydrophobicContact CB-CG 3.89Å; L201-M203 HydrophobicContact CB-SD 3.72Å; L201-M203 HydrophobicContact CD1-SD 4.02Å; L201-M203 HydrophobicContact CG-SD 4.45Å; L201-M203 PolarHBondContact O-N 3.44Å; L201-M248 HydrophobicContact CD1-CE 3.97Å; L201-M248 HydrophobicContact CD1-SD 4.44Å; L201-I251 HydrophobicContact CD1-CD1 3.62Å; L201-I251 HydrophobicContact CD1-CG2 4.36Å; L201-I251 HydrophobicContact CD2-CB 4.12Å; L201-I251 HydrophobicContact CD2-CD1 3.94Å; L201-I251 HydrophobicContact CD2-CG1 4.01Å; L201-I251 HydrophobicContact CD2-CG2 3.08Å; L201-I251 HydrophobicContact CG-CD1 4.29Å; L201-I251 HydrophobicContact CG-CG2 4.31Å
202	Q	76.1	Confident	88.2	Confident	159 Å²	159	48.9 Å²	48.9	74%	0.743	23%	0.23	S	C	*	.			trans	-84.7	103.1	168.1	-65.2	-176.5	-7.1	0	0	108.7	G200	G200-Q202 PolarHBondContact O-N 3.22Å
203	M	80.6	Confident	88.2	Confident	31 Å²	31	54.2 Å²	54.2	15%	0.153	25%	0.254	C	S	.	.			trans	-137.9	144.3	-176.1	-55	175.8	77.1	0	0	109.7	V195 L201 R207 I208 L211 I251	V195-M203 HydrophobicContact CG1-SD 3.99Å; L201-M203 HydrophobicContact CB-CG 3.89Å; L201-M203 HydrophobicContact CB-SD 3.72Å; L201-M203 HydrophobicContact CD1-SD 4.02Å; L201-M203 HydrophobicContact CG-SD 4.45Å; L201-M203 PolarHBondContact O-N 3.44Å; M203-R207 HydrophobicContact CE-CB 4.43Å; M203-R207 HydrophobicContact CE-CG 3.59Å; M203-I208 HydrophobicContact CB-CD1 4.38Å; M203-I208 HydrophobicContact CB-CG1 3.99Å; M203-L211 HydrophobicContact CE-CD1 3.57Å; M203-L211 HydrophobicContact SD-CD1 4.25Å; M203-I251 HydrophobicContact CE-CD1 4.1Å; M203-I251 HydrophobicContact SD-CD1 4Å
204	E	87.3	Confident	88.3	Confident	145 Å²	145	54.2 Å²	54.2	68%	0.678	25%	0.254	S	S	*	.			trans	-57	145.6	171.1	-65.9	171.8	176.9	0	0	111.3	E206 R207 I208	E204-E206 VanDerWaalsContact C-N 3.27Å; E204-E206 PolarHBondContact O-N 2.77Å; E204-R207 PolarHBondContact O-N 3.34Å; E204-R207 VanDerWaalsContact O-N 3.08Å; E204-I208 PolarHBondContact O-N 2.68Å
205	E	87.2	Confident	88.4	Confident	62 Å²	62	54.2 Å²	54.2	29%	0.29	25%	0.254	S	S	.	.	H	α-helix	trans	-58.4	-38.2	-175	-168.5	72.1	-174.8	0	0	112.1	K172 R192 R196 R207 I208 V209	K172-E205 IonicContact NZ-OE1 3.78Å; K172-E205 PolarHBondContact NZ-OE1 3.23Å; R192-E205 IonicContact CZ-OE1 3.63Å; R192-E205 IonicContact NE-OE1 2.87Å; R192-E205 PolarHBondContact NE-OE1 2.79Å; R192-E205 IonicContact NH1-OE1 2.75Å; R192-E205 IonicContact NH2-OE1 3.84Å; R196-E205 IonicContact CZ-OE2 2.65Å; R196-E205 IonicContact NH2-OE2 2.83Å; R196-E205 PolarHBondContact NH2-OE2 2.83Å; E205-R207 VanDerWaalsContact C-N 3.3Å; E205-R207 PolarHBondContact O-N 2.55Å; E205-I208 WeakPolarHBondContact O-CB 3.33Å; E205-I208 PolarHBondContact O-N 2.93Å; E205-V209 WeakPolarHBondContact O-CG2 3.46Å; E205-V209 PolarHBondContact O-N 2.96Å
206	E	89.6	Confident	88.5	Confident	163 Å²	163	57.2 Å²	57.2	76%	0.762	27%	0.268	S	S	*	.	H	α-helix	trans	-59.4	-41.2	178	-63.6	-173.1	178	0	0	112.4	E204 V209 Y210	E204-E206 VanDerWaalsContact C-N 3.27Å; E204-E206 PolarHBondContact O-N 2.77Å; E206-V209 PolarHBondContact O-N 3.35Å; E206-Y210 PolarHBondContact O-N 3.24Å
207	R	89.6	Confident	88.8	Confident	113 Å²	113	58.6 Å²	58.6	43%	0.426	28%	0.277	S	S	.	.	H	α-helix	trans	-69.9	-38.5	179.1	-168.2	-179.4	-72.7	-93.2	-2.7	111.3	M203 E204 E205 V209 Y210 L211	M203-R207 HydrophobicContact CE-CB 4.43Å; M203-R207 HydrophobicContact CE-CG 3.59Å; E204-R207 PolarHBondContact O-N 3.34Å; E204-R207 VanDerWaalsContact O-N 3.08Å; E205-R207 VanDerWaalsContact C-N 3.3Å; E205-R207 PolarHBondContact O-N 2.55Å; R207-V209 VanDerWaalsContact C-N 3.35Å; R207-Y210 PolarHBondContact O-N 2.7Å; R207-L211 WeakPolarHBondContact O-CG 3.48Å; R207-L211 PolarHBondContact O-N 2.94Å
208	I	90.1	Very high	89	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-46.5	173.7	-67.1	176.2	0	0	0	110.1	F191 R192 V195 R196 M203 E204 E205 Y210 L211 A212	F191-I208 HydrophobicContact CD1-CG2 4.03Å; F191-I208 HydrophobicContact CE1-CG2 4.12Å; F191-I208 WeakPolarHBondContact CE1-O 3.42Å; R192-I208 HydrophobicContact CG-CG2 3.65Å; V195-I208 HydrophobicContact CG1-CG1 4.44Å; R196-I208 HydrophobicContact CG-CD1 4.46Å; M203-I208 HydrophobicContact CB-CD1 4.38Å; M203-I208 HydrophobicContact CB-CG1 3.99Å; E204-I208 PolarHBondContact O-N 2.68Å; E205-I208 WeakPolarHBondContact O-CB 3.33Å; E205-I208 PolarHBondContact O-N 2.93Å; I208-Y210 VanDerWaalsContact C-N 3.33Å; I208-Y210 PolarHBondContact O-N 3.08Å; I208-L211 PolarHBondContact O-N 3.34Å; I208-A212 WeakPolarHBondContact O-CB 3.47Å; I208-A212 PolarHBondContact O-N 3.34Å
209	V	90.9	Very high	89.2	Confident	62 Å²	62	59.9 Å²	59.9	38%	0.376	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-41	178	171.8	0	0	0	0	111.3	E205 E206 R207 A212 K213	E205-V209 WeakPolarHBondContact O-CG2 3.46Å; E205-V209 PolarHBondContact O-N 2.96Å; E206-V209 PolarHBondContact O-N 3.35Å; R207-V209 VanDerWaalsContact C-N 3.35Å; V209-A212 PolarHBondContact O-N 3.48Å; V209-K213 WeakPolarHBondContact O-CG 3.48Å; V209-K213 PolarHBondContact O-N 3.32Å
210	Y	92.9	Very high	89.5	Confident	116 Å²	116	65.7 Å²	65.7	46%	0.455	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-46.3	174.6	172.2	-99.6	0	0	0	112.6	E206 R207 I208 K213 T214 I243	E206-Y210 PolarHBondContact O-N 3.24Å; R207-Y210 PolarHBondContact O-N 2.7Å; I208-Y210 VanDerWaalsContact C-N 3.33Å; I208-Y210 PolarHBondContact O-N 3.08Å; Y210-K213 PolarHBondContact O-N 2.92Å; Y210-T214 PolarHBondContact O-N 3.36Å; Y210-T214 PolarHBondContact O-OG1 2.92Å; Y210-T214 VanDerWaalsContact O-OG1 3.05Å; Y210-I243 HydrophobicContact CE1-CG2 3.94Å
211	L	92.9	Very high	90.1	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-67.2	-37.2	178.2	-69	-180	0	0	0	112	F191 M203 R207 I208 K213 T214 F215 L244 N247	F191-L211 HydrophobicContact CE1-CB 4.02Å; F191-L211 HydrophobicContact CZ-CB 3.69Å; M203-L211 HydrophobicContact CE-CD1 3.57Å; M203-L211 HydrophobicContact SD-CD1 4.25Å; R207-L211 WeakPolarHBondContact O-CG 3.48Å; R207-L211 PolarHBondContact O-N 2.94Å; I208-L211 PolarHBondContact O-N 3.34Å; L211-K213 VanDerWaalsContact C-N 3.35Å; L211-K213 PolarHBondContact O-N 3.16Å; L211-T214 PolarHBondContact O-N 2.92Å; L211-F215 VanDerWaalsContact O-CB 3.27Å; L211-F215 WeakPolarHBondContact O-CB 3.17Å; L211-F215 PolarHBondContact O-N 3.24Å; L211-L244 HydrophobicContact CD2-CD2 4.19Å; L211-N247 HydrophobicContact CD1-CB 4.49Å; L211-N247 HydrophobicContact CD2-CB 4.02Å
212	A	92.9	Very high	90.8	Very high	16 Å²	16	65.1 Å²	65.1	13%	0.132	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-46.2	173.8	0	0	0	0	0	110.9	F191 I208 V209 T214 F215 E216	F191-A212 HydrophobicContact CD1-CB 3.68Å; F191-A212 HydrophobicContact CD2-CB 4.31Å; F191-A212 HydrophobicContact CE1-CB 3.87Å; F191-A212 HydrophobicContact CE2-CB 4.49Å; F191-A212 HydrophobicContact CG-CB 3.92Å; F191-A212 HydrophobicContact CZ-CB 4.29Å; I208-A212 WeakPolarHBondContact O-CB 3.47Å; I208-A212 PolarHBondContact O-N 3.34Å; V209-A212 PolarHBondContact O-N 3.48Å; A212-T214 PolarHBondContact O-N 3.44Å; A212-F215 WeakPolarHBondContact O-CB 3.4Å; A212-F215 PolarHBondContact O-N 3.14Å; A212-E216 WeakPolarHBondContact O-CG 3.34Å; A212-E216 PolarHBondContact O-N 3.4Å
213	K	94.2	Very high	91.3	Very high	133 Å²	133	63.4 Å²	63.4	58%	0.578	30%	0.296	S	S	*	.	H	α-helix	trans	-62.2	-40.7	175.6	-71.8	175.5	-178.8	177.1	0	112.5	V209 Y210 L211 F215 E216 Q217	V209-K213 WeakPolarHBondContact O-CG 3.48Å; V209-K213 PolarHBondContact O-N 3.32Å; Y210-K213 PolarHBondContact O-N 2.92Å; L211-K213 VanDerWaalsContact C-N 3.35Å; L211-K213 PolarHBondContact O-N 3.16Å; K213-F215 VanDerWaalsContact C-N 3.32Å; K213-E216 PolarHBondContact O-N 3.46Å; K213-Q217 WeakPolarHBondContact O-CG 3.42Å; K213-Q217 PolarHBondContact O-N 2.98Å
214	T	95.6	Very high	91.8	Very high	5 Å²	5	63 Å²	63	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-66.8	-38.1	176.3	-58.5	0	0	0	0	110.9	Y210 L211 A212 Q217 L218 A240 I243 L244	Y210-T214 PolarHBondContact O-N 3.36Å; Y210-T214 PolarHBondContact O-OG1 2.92Å; Y210-T214 VanDerWaalsContact O-OG1 3.05Å; L211-T214 PolarHBondContact O-N 2.92Å; A212-T214 PolarHBondContact O-N 3.44Å; T214-Q217 WeakPolarHBondContact O-CB 3.5Å; T214-Q217 PolarHBondContact O-N 2.88Å; T214-L218 PolarHBondContact O-N 2.86Å; T214-A240 HydrophobicContact CG2-CB 4.04Å; T214-I243 HydrophobicContact CG2-CB 3.95Å; T214-I243 HydrophobicContact CG2-CD1 4.42Å; T214-I243 HydrophobicContact CG2-CG2 3.85Å; T214-L244 HydrophobicContact CG2-CD1 4.4Å; T214-L244 HydrophobicContact CG2-CD2 4.32Å; T214-L244 HydrophobicContact CG2-CG 3.93Å
215	F	94.8	Very high	91.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-41.4	175.2	-168	-94.7	0	0	0	111.9	F191 L211 A212 K213 Q217 L218 M219 L244 V293 I296 F297 H300	F191-F215 HydrophobicContact CD2-CB 4.23Å; F191-F215 HydrophobicContact CD2-CD1 4.32Å; F191-F215 HydrophobicContact CD2-CG 4.26Å; F191-F215 HydrophobicContact CE2-CB 3.61Å; F191-F215 HydrophobicContact CE2-CD1 4.35Å; F191-F215 HydrophobicContact CE2-CD2 4.38Å; F191-F215 AromaticContact CE2-CG 3.84Å; F191-F215 HydrophobicContact CE2-CG 3.84Å; F191-F215 HydrophobicContact CZ-CB 4.46Å; L211-F215 VanDerWaalsContact O-CB 3.27Å; L211-F215 WeakPolarHBondContact O-CB 3.17Å; L211-F215 PolarHBondContact O-N 3.24Å; A212-F215 WeakPolarHBondContact O-CB 3.4Å; A212-F215 PolarHBondContact O-N 3.14Å; K213-F215 VanDerWaalsContact C-N 3.32Å; F215-Q217 VanDerWaalsContact C-N 3.31Å; F215-Q217 PolarHBondContact O-N 3.01Å; F215-L218 HydrophobicContact CE2-CD2 4.38Å; F215-L218 WeakPolarHBondContact O-CA 3.37Å; F215-L218 WeakPolarHBondContact O-CB 3.47Å; F215-L218 PolarHBondContact O-N 3.38Å; F215-L218 VanDerWaalsContact O-N 3.1Å; F215-M219 HydrophobicContact CD1-CG 3.9Å; F215-M219 HydrophobicContact CE1-CG 3.43Å; F215-M219 VanDerWaalsContact CE1-CG 3.43Å; F215-M219 HydrophobicContact CE1-SD 3.72Å; F215-M219 HydrophobicContact CZ-CG 4.01Å; F215-M219 HydrophobicContact CZ-SD 3.82Å; F215-M219 WeakPolarHBondContact O-CG 3.13Å; F215-M219 PolarHBondContact O-N 3.05Å; F215-L244 HydrophobicContact CB-CD2 4.49Å; F215-L244 HydrophobicContact CD2-CD1 3.93Å; F215-L244 HydrophobicContact CD2-CD2 4.5Å; F215-V293 HydrophobicContact CE2-CG1 4.36Å; F215-I296 HydrophobicContact CD1-CG2 4.13Å; F215-I296 HydrophobicContact CD2-CB 4.5Å; F215-I296 HydrophobicContact CD2-CG2 3.75Å; F215-I296 HydrophobicContact CE1-CG2 4.03Å; F215-I296 HydrophobicContact CE2-CB 4.1Å; F215-I296 HydrophobicContact CE2-CG2 3.64Å; F215-I296 HydrophobicContact CG-CG2 4.03Å; F215-I296 HydrophobicContact CZ-CB 4.44Å; F215-I296 HydrophobicContact CZ-CG2 3.84Å; F215-F297 HydrophobicContact CE2-CB 4.42Å; F215-F297 VanDerWaalsContact CZ-CA 3.47Å; F215-F297 HydrophobicContact CZ-CB 3.89Å; F215-H300 AromaticContact CD1-CD2 3.67Å; F215-H300 HydrophobicContact CE1-CB 3.99Å; F215-H300 AromaticContact CE1-CD2 3.56Å; F215-H300 AromaticContact CE1-CG 3.95Å
216	E	92.9	Very high	92.1	Very high	63 Å²	63	62.4 Å²	62.4	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-61.2	-38.6	171.9	-71.9	-170.2	157.6	0	0	112.4	K187 A212 K213 L218 M219 N220	K187-E216 IonicContact NZ-OE1 2.88Å; K187-E216 PolarHBondContact NZ-OE1 3.27Å; A212-E216 WeakPolarHBondContact O-CG 3.34Å; A212-E216 PolarHBondContact O-N 3.4Å; K213-E216 PolarHBondContact O-N 3.46Å; E216-L218 VanDerWaalsContact C-N 3.32Å; E216-L218 PolarHBondContact O-N 2.78Å; E216-M219 PolarHBondContact O-N 2.85Å; E216-N220 WeakPolarHBondContact O-CB 3.4Å; E216-N220 PolarHBondContact O-N 3.41Å; E216-N220 PolarHBondContact O-ND2 2.79Å
217	Q	94.4	Very high	92.3	Very high	108 Å²	108	59.2 Å²	59.2	51%	0.505	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-40	172.6	-71.5	-178	-9.2	0	0	111.9	K213 T214 F215 N221 A240	K213-Q217 WeakPolarHBondContact O-CG 3.42Å; K213-Q217 PolarHBondContact O-N 2.98Å; T214-Q217 WeakPolarHBondContact O-CB 3.5Å; T214-Q217 PolarHBondContact O-N 2.88Å; F215-Q217 VanDerWaalsContact C-N 3.31Å; F215-Q217 PolarHBondContact O-N 3.01Å; Q217-N221 PolarHBondContact O-ND2 3.4Å; Q217-A240 HydrophobicContact CB-CB 4.14Å
218	L	95.1	Very high	92.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.8	-50.9	172.8	-177.3	149.2	0	0	0	110.4	I125 L126 T214 F215 E216 N220 N221 L222 A240 R241 L244 V293	I125-L218 HydrophobicContact CG2-CD1 3.93Å; I125-L218 HydrophobicContact CG2-CD2 3.97Å; I125-L218 HydrophobicContact CG2-CG 3.58Å; L126-L218 HydrophobicContact CD2-CD2 4.27Å; T214-L218 PolarHBondContact O-N 2.86Å; F215-L218 HydrophobicContact CE2-CD2 4.38Å; F215-L218 WeakPolarHBondContact O-CA 3.37Å; F215-L218 WeakPolarHBondContact O-CB 3.47Å; F215-L218 PolarHBondContact O-N 3.38Å; F215-L218 VanDerWaalsContact O-N 3.1Å; E216-L218 VanDerWaalsContact C-N 3.32Å; E216-L218 PolarHBondContact O-N 2.78Å; L218-N220 PolarHBondContact O-N 2.81Å; L218-N221 PolarHBondContact O-N 2.95Å; L218-N221 VanDerWaalsContact O-N 3.15Å; L218-L222 HydrophobicContact CD2-CD1 4.45Å; L218-L222 HydrophobicContact CD2-CD2 3.98Å; L218-L222 HydrophobicContact CD2-CG 4.23Å; L218-L222 PolarHBondContact O-N 3.16Å; L218-A240 HydrophobicContact CB-CB 3.95Å; L218-R241 HydrophobicContact CD1-CB 4.04Å; L218-L244 HydrophobicContact CB-CD1 4.22Å; L218-L244 HydrophobicContact CD1-CD1 3.59Å; L218-V293 HydrophobicContact CD1-CG1 4.26Å
219	M	92.1	Very high	92.7	Very high	30 Å²	30	60.4 Å²	60.4	15%	0.148	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-47.3	-178.5	-71.9	-58.5	-61.8	0	0	113.1	F215 E216 N221 L222 F297	F215-M219 HydrophobicContact CD1-CG 3.9Å; F215-M219 HydrophobicContact CE1-CG 3.43Å; F215-M219 VanDerWaalsContact CE1-CG 3.43Å; F215-M219 HydrophobicContact CE1-SD 3.72Å; F215-M219 HydrophobicContact CZ-CG 4.01Å; F215-M219 HydrophobicContact CZ-SD 3.82Å; F215-M219 WeakPolarHBondContact O-CG 3.13Å; F215-M219 PolarHBondContact O-N 3.05Å; E216-M219 PolarHBondContact O-N 2.85Å; M219-N221 PolarHBondContact O-N 3.41Å; M219-L222 HydrophobicContact CE-CD1 3.85Å; M219-L222 PolarHBondContact O-N 3.02Å; M219-L222 HydrophobicContact SD-CD1 3.56Å; M219-L222 VanDerWaalsContact SD-CD1 3.56Å; M219-F297 HydrophobicContact CE-CD2 4.05Å; M219-F297 HydrophobicContact CE-CE2 3.83Å; M219-F297 HydrophobicContact SD-CD2 3.44Å; M219-F297 WeakPolarHBondContact SD-CD2 3.13Å; M219-F297 HydrophobicContact SD-CE2 3.78Å
220	N	91.4	Very high	92.8	Very high	132 Å²	132	62 Å²	62	71%	0.706	32%	0.319	S	S	*	.	H	α-helix	trans	-62.8	-16.3	-178.7	-72	-23.9	0	0	0	113.2	E216 L218	E216-N220 WeakPolarHBondContact O-CB 3.4Å; E216-N220 PolarHBondContact O-N 3.41Å; E216-N220 PolarHBondContact O-ND2 2.79Å; L218-N220 PolarHBondContact O-N 2.81Å
221	N	94.5	Very high	92.9	Very high	24 Å²	24	65.1 Å²	65.1	13%	0.128	34%	0.336	C	S	.	.	H	α-helix	trans	-110.7	-1.3	-177.2	-71	-68.6	0	0	0	114.2	I125 Q217 L218 M219 F223 S224 G233	I125-N221 HydrophobicContact CD1-CB 4.38Å; I125-N221 WeakPolarHBondContact CD1-O 3.43Å; Q217-N221 PolarHBondContact O-ND2 3.4Å; L218-N221 PolarHBondContact O-N 2.95Å; L218-N221 VanDerWaalsContact O-N 3.15Å; M219-N221 PolarHBondContact O-N 3.41Å; N221-F223 PolarHBondContact O-N 3.4Å; N221-S224 VanDerWaalsContact O-CB 3.27Å; N221-S224 WeakPolarHBondContact O-CB 3.35Å; N221-S224 PolarHBondContact O-N 2.98Å; N221-S224 VanDerWaalsContact O-N 3.14Å; N221-S224 PolarHBondContact O-OG 3.48Å; N221-G233 VanDerWaalsContact CB-O 3.24Å; N221-G233 WeakPolarHBondContact CB-O 3.46Å; N221-G233 WeakPolarHBondContact OD1-CA 3.37Å; N221-G233 PolarHBondContact OD1-O 2.57Å; N221-G233 VanDerWaalsContact OD1-O 3.11Å
222	L	90.9	Very high	93	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.8	-178.3	-77.1	176.2	0	0	0	114.2	S121 T122 I125 L126 L218 M219 F297	S121-L222 PolarHBondContact OG-O 3.48Å; S121-L222 VanDerWaalsContact OG-O 3.12Å; T122-L222 WeakPolarHBondContact CA-O 3.41Å; T122-L222 HydrophobicContact CG2-CD2 4.31Å; T122-L222 PolarHBondContact N-O 2.98Å; T122-L222 PolarHBondContact OG1-O 3.33Å; I125-L222 HydrophobicContact CB-CD2 3.97Å; I125-L222 HydrophobicContact CG2-CD2 3.62Å; L126-L222 HydrophobicContact CD1-CD2 4.47Å; L126-L222 HydrophobicContact CD2-CD2 3.97Å; L126-L222 HydrophobicContact CG-CD2 3.91Å; L218-L222 HydrophobicContact CD2-CD1 4.45Å; L218-L222 HydrophobicContact CD2-CD2 3.98Å; L218-L222 HydrophobicContact CD2-CG 4.23Å; L218-L222 PolarHBondContact O-N 3.16Å; M219-L222 HydrophobicContact CE-CD1 3.85Å; M219-L222 PolarHBondContact O-N 3.02Å; M219-L222 HydrophobicContact SD-CD1 3.56Å; M219-L222 VanDerWaalsContact SD-CD1 3.56Å; L222-F297 HydrophobicContact CD1-CD2 3.89Å; L222-F297 HydrophobicContact CD1-CE2 3.33Å; L222-F297 HydrophobicContact CD1-CZ 4.26Å
223	F	88.3	Confident	93.1	Very high	123 Å²	123	66.1 Å²	66.1	54%	0.539	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	20.2	-178.3	-62.1	-83.4	0	0	0	112.7	W118 P119 N221	W118-F223 HydrophobicContact CZ3-CE1 4.36Å; W118-F223 HydrophobicContact CZ3-CZ 4.12Å; P119-F223 HydrophobicContact CG-CD1 3.74Å; P119-F223 HydrophobicContact CG-CE1 4.01Å; N221-F223 PolarHBondContact O-N 3.4Å
224	S	90.8	Very high	93.2	Very high	24 Å²	24	60 Å²	60	17%	0.168	32%	0.318	C	S	.	.	S	Bend	trans	-67.9	164.4	177.4	59.2	0	0	0	0	112.7	S121 N221 L234	S121-S224 WeakPolarHBondContact CB-O 3.49Å; S121-S224 PolarHBondContact OG-O 3.2Å; N221-S224 VanDerWaalsContact O-CB 3.27Å; N221-S224 WeakPolarHBondContact O-CB 3.35Å; N221-S224 PolarHBondContact O-N 2.98Å; N221-S224 VanDerWaalsContact O-N 3.14Å; N221-S224 PolarHBondContact O-OG 3.48Å; S224-L234 WeakPolarHBondContact OG-CA 3.08Å; S224-L234 PolarHBondContact OG-N 3.04Å
225	L	89.7	Confident	93.2	Very high	129 Å²	129	64.7 Å²	64.7	68%	0.675	34%	0.336	S	S	*	.			trans	-63.3	142.6	171.1	-67	176.7	0	0	0	110.2	I227	L225-I227 HydrophobicContact CB-CD1 4.34Å; L225-I227 HydrophobicContact CB-CG1 4.41Å; L225-I227 HydrophobicContact CD1-CD1 4.45Å; L225-I227 PolarHBondContact O-N 3Å
226	P	90.4	Very high	93.3	Very high	64 Å²	64	70.3 Å²	70.3	42%	0.416	36%	0.36	S	S	.	.	S	Bend	trans	-79	52.2	-177.4	35.1	-37.4	0	0	0	112.1	Q120	Q120-P226 HydrophobicContact CB-CB 4.04Å; Q120-P226 HydrophobicContact CG-CB 4.07Å
227	I	93.1	Very high	93.5	Very high	96 Å²	96	67.3 Å²	67.3	49%	0.492	35%	0.346	S	S	.	.			trans	-121.8	113.9	-178.1	-60.5	172.8	0	0	0	107	L225 T229 S232	L225-I227 HydrophobicContact CB-CD1 4.34Å; L225-I227 HydrophobicContact CB-CG1 4.41Å; L225-I227 HydrophobicContact CD1-CD1 4.45Å; L225-I227 PolarHBondContact O-N 3Å; I227-T229 HydrophobicContact CG2-CG2 3.83Å; I227-T229 PolarHBondContact O-N 3.07Å; I227-S232 WeakPolarHBondContact O-CB 3.39Å; I227-S232 PolarHBondContact O-OG 2.83Å
228	D	94.8	Very high	93.6	Very high	75 Å²	75	63.7 Å²	63.7	40%	0.401	33%	0.33	S	S	.	.			trans	-94	82.5	-176.5	-174.2	27.7	0	0	0	111.7	L234 R235	D228-L234 HydrophobicContact CB-CD2 4.06Å; D228-R235 WeakPolarHBondContact OD1-CB 3.37Å; D228-R235 IonicContact OD1-CZ 3.56Å; D228-R235 IonicContact OD1-NE 3.61Å; D228-R235 PolarHBondContact OD1-NE 3.47Å; D228-R235 IonicContact OD1-NH2 2.76Å; D228-R235 PolarHBondContact OD1-NH2 3.18Å; D228-R235 IonicContact OD2-CZ 2.79Å; D228-R235 IonicContact OD2-NE 3.9Å; D228-R235 IonicContact OD2-NH2 3.9Å; D228-R235 PolarHBondContact OD2-NH2 3.48Å
229	T	95.2	Very high	93.7	Very high	66 Å²	66	69.9 Å²	69.9	41%	0.405	36%	0.357	S	S	.	.			trans	-118	160.6	173.6	62.8	0	0	0	0	111	I227 F231 S232 R235	I227-T229 HydrophobicContact CG2-CG2 3.83Å; I227-T229 PolarHBondContact O-N 3.07Å; T229-F231 PolarHBondContact O-N 3.11Å; T229-S232 PolarHBondContact N-OG 2.98Å; T229-S232 VanDerWaalsContact N-OG 3.12Å; T229-S232 WeakPolarHBondContact O-CB 3.36Å; T229-S232 PolarHBondContact O-N 2.98Å; T229-S232 PolarHBondContact O-OG 3.46Å; T229-S232 WeakPolarHBondContact OG1-CB 3.46Å; T229-R235 WeakPolarHBondContact O-CB 3.2Å
230	P	93	Very high	94	Very high	95 Å²	95	68.5 Å²	68.5	62%	0.617	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-29.7	-172.9	-30	36.6	0	0	0	115.8
231	F	93.2	Very high	94.2	Very high	183 Å²	183	64.1 Å²	64.1	80%	0.803	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-3.9	-178.4	-48.6	-70.4	0	0	0	113.5	T229	T229-F231 PolarHBondContact O-N 3.11Å
232	S	95.1	Very high	94.3	Very high	16 Å²	16	68.8 Å²	68.8	11%	0.112	34%	0.344	C	S	.	.	S	Bend	trans	-65.2	152.3	-178.4	67.8	0	0	0	0	112.3	I227 T229 L234 R235 K236	I227-S232 WeakPolarHBondContact O-CB 3.39Å; I227-S232 PolarHBondContact O-OG 2.83Å; T229-S232 PolarHBondContact N-OG 2.98Å; T229-S232 VanDerWaalsContact N-OG 3.12Å; T229-S232 WeakPolarHBondContact O-CB 3.36Å; T229-S232 PolarHBondContact O-N 2.98Å; T229-S232 PolarHBondContact O-OG 3.46Å; T229-S232 WeakPolarHBondContact OG1-CB 3.46Å; S232-L234 VanDerWaalsContact C-N 3.27Å; S232-L234 PolarHBondContact O-N 2.74Å; S232-R235 PolarHBondContact O-N 3.41Å; S232-R235 VanDerWaalsContact OG-CB 3.27Å; S232-R235 WeakPolarHBondContact OG-CB 3.24Å; S232-R235 PolarHBondContact OG-N 2.79Å; S232-K236 WeakPolarHBondContact O-CG 3.19Å; S232-K236 PolarHBondContact O-N 3.41Å
233	G	95	Very high	94.5	Very high	21 Å²	21	70.7 Å²	70.7	22%	0.216	35%	0.354	C	S	.	.	H	α-helix	trans	-60.9	-38.4	170.7	0	0	0	0	0	112.1	N221 R235 K236 G237	N221-G233 VanDerWaalsContact CB-O 3.24Å; N221-G233 WeakPolarHBondContact CB-O 3.46Å; N221-G233 WeakPolarHBondContact OD1-CA 3.37Å; N221-G233 PolarHBondContact OD1-O 2.57Å; N221-G233 VanDerWaalsContact OD1-O 3.11Å; G233-R235 PolarHBondContact O-N 2.96Å; G233-K236 WeakPolarHBondContact O-CB 3.43Å; G233-K236 PolarHBondContact O-N 3.02Å; G233-G237 PolarHBondContact O-N 3.06Å
234	L	96.1	Very high	94.8	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-59.2	-47.3	178.2	-179.4	60.7	0	0	0	111.6	I124 I125 S224 D228 S232 K236 G237 I238	I124-L234 HydrophobicContact CB-CD1 4.2Å; I124-L234 HydrophobicContact CD1-CD1 4.4Å; I124-L234 HydrophobicContact CD1-CD2 4.1Å; I124-L234 HydrophobicContact CG2-CD1 3.99Å; I125-L234 HydrophobicContact CD1-CD1 4.03Å; I125-L234 HydrophobicContact CG1-CD1 3.93Å; S224-L234 WeakPolarHBondContact OG-CA 3.08Å; S224-L234 PolarHBondContact OG-N 3.04Å; D228-L234 HydrophobicContact CB-CD2 4.06Å; S232-L234 VanDerWaalsContact C-N 3.27Å; S232-L234 PolarHBondContact O-N 2.74Å; L234-K236 VanDerWaalsContact C-N 3.33Å; L234-K236 PolarHBondContact O-N 2.7Å; L234-G237 PolarHBondContact O-N 2.92Å; L234-I238 HydrophobicContact CD1-CD1 4.12Å; L234-I238 HydrophobicContact CD1-CG1 4.29Å; L234-I238 HydrophobicContact CG-CD1 3.87Å; L234-I238 HydrophobicContact CG-CG1 4.46Å; L234-I238 WeakPolarHBondContact O-CG1 3.17Å; L234-I238 PolarHBondContact O-N 3.34Å
235	R	97.3	Very high	94.9	Very high	105 Å²	105	64.5 Å²	64.5	40%	0.396	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-42.2	176.4	179.1	57.1	63.4	119.9	-1.3	112.2	D228 T229 S232 G233 G237 I238 K239	D228-R235 WeakPolarHBondContact OD1-CB 3.37Å; D228-R235 IonicContact OD1-CZ 3.56Å; D228-R235 IonicContact OD1-NE 3.61Å; D228-R235 PolarHBondContact OD1-NE 3.47Å; D228-R235 IonicContact OD1-NH2 2.76Å; D228-R235 PolarHBondContact OD1-NH2 3.18Å; D228-R235 IonicContact OD2-CZ 2.79Å; D228-R235 IonicContact OD2-NE 3.9Å; D228-R235 IonicContact OD2-NH2 3.9Å; D228-R235 PolarHBondContact OD2-NH2 3.48Å; T229-R235 WeakPolarHBondContact O-CB 3.2Å; S232-R235 PolarHBondContact O-N 3.41Å; S232-R235 VanDerWaalsContact OG-CB 3.27Å; S232-R235 WeakPolarHBondContact OG-CB 3.24Å; S232-R235 PolarHBondContact OG-N 2.79Å; G233-R235 PolarHBondContact O-N 2.96Å; R235-G237 VanDerWaalsContact C-N 3.35Å; R235-I238 PolarHBondContact O-N 3.46Å; R235-K239 WeakPolarHBondContact O-CB 3.46Å; R235-K239 PolarHBondContact O-N 2.82Å
236	K	97.2	Very high	95	Very high	118 Å²	118	61.3 Å²	61.3	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-43.3	175.9	-68.2	176.6	-175.8	179.6	0	111.4	S232 G233 L234 K239 A240	S232-K236 WeakPolarHBondContact O-CG 3.19Å; S232-K236 PolarHBondContact O-N 3.41Å; G233-K236 WeakPolarHBondContact O-CB 3.43Å; G233-K236 PolarHBondContact O-N 3.02Å; L234-K236 VanDerWaalsContact C-N 3.33Å; L234-K236 PolarHBondContact O-N 2.7Å; K236-K239 PolarHBondContact O-N 3.02Å; K236-A240 PolarHBondContact O-N 3.15Å
237	G	96.9	Very high	94.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-42.1	175.7	0	0	0	0	0	113.2	G233 L234 R235 A240 R241	G233-G237 PolarHBondContact O-N 3.06Å; L234-G237 PolarHBondContact O-N 2.92Å; R235-G237 VanDerWaalsContact C-N 3.35Å; G237-A240 PolarHBondContact O-N 2.93Å; G237-R241 PolarHBondContact O-N 3.18Å
238	I	96.6	Very high	94.5	Very high	31 Å²	31	55.3 Å²	55.3	16%	0.159	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-46.8	175.1	-68.9	166.8	0	0	0	110.5	I124 L234 R235 A240 R241 E242	I124-I238 HydrophobicContact CG2-CD1 4Å; I124-I238 HydrophobicContact CG2-CG1 4.09Å; L234-I238 HydrophobicContact CD1-CD1 4.12Å; L234-I238 HydrophobicContact CD1-CG1 4.29Å; L234-I238 HydrophobicContact CG-CD1 3.87Å; L234-I238 HydrophobicContact CG-CG1 4.46Å; L234-I238 WeakPolarHBondContact O-CG1 3.17Å; L234-I238 PolarHBondContact O-N 3.34Å; R235-I238 PolarHBondContact O-N 3.46Å; I238-A240 VanDerWaalsContact C-N 3.34Å; I238-A240 PolarHBondContact O-N 3.19Å; I238-R241 WeakPolarHBondContact O-CB 3.41Å; I238-R241 PolarHBondContact O-N 3.1Å; I238-R241 VanDerWaalsContact O-N 3.15Å; I238-E242 HydrophobicContact CG2-CG 4.49Å; I238-E242 WeakPolarHBondContact O-CG 3.47Å; I238-E242 PolarHBondContact O-N 2.84Å
239	K	97.2	Very high	94.1	Very high	131 Å²	131	52.6 Å²	52.6	57%	0.57	27%	0.27	S	S	*	.	H	α-helix	trans	-60.8	-42.2	177.8	-173.5	176.6	-179.4	178.6	0	112.1	R235 K236 R241 E242 I243	R235-K239 WeakPolarHBondContact O-CB 3.46Å; R235-K239 PolarHBondContact O-N 2.82Å; K236-K239 PolarHBondContact O-N 3.02Å; K239-R241 VanDerWaalsContact C-N 3.34Å; K239-E242 PolarHBondContact O-N 3.22Å; K239-I243 HydrophobicContact CG-CD1 4.36Å; K239-I243 WeakPolarHBondContact O-CG1 3.12Å; K239-I243 PolarHBondContact O-N 2.73Å; K239-I243 VanDerWaalsContact O-N 3.11Å
240	A	97.1	Very high	93.3	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-42.7	175.3	0	0	0	0	0	111.7	T214 Q217 L218 K236 G237 I238 E242 I243 L244	T214-A240 HydrophobicContact CG2-CB 4.04Å; Q217-A240 HydrophobicContact CB-CB 4.14Å; L218-A240 HydrophobicContact CB-CB 3.95Å; K236-A240 PolarHBondContact O-N 3.15Å; G237-A240 PolarHBondContact O-N 2.93Å; I238-A240 VanDerWaalsContact C-N 3.34Å; I238-A240 PolarHBondContact O-N 3.19Å; A240-E242 PolarHBondContact O-N 3.05Å; A240-I243 PolarHBondContact O-N 2.93Å; A240-L244 WeakPolarHBondContact O-CG 3.49Å; A240-L244 PolarHBondContact O-N 3.23Å
241	R	96.1	Very high	92.3	Very high	40 Å²	40	51.8 Å²	51.8	15%	0.151	25%	0.252	C	S	.	.	H	α-helix	trans	-58.8	-45.5	173.7	-177.8	-156.2	-177.8	-175.1	-13.1	111.8	I124 I125 L218 G237 I238 K239 I243 L244 H245 E290	I124-R241 PolarHBondContact O-NH1 2.7Å; I125-R241 WeakPolarHBondContact O-CD 3.44Å; I125-R241 WeakPolarHBondContact O-CG 3.3Å; I125-R241 PolarHBondContact O-NE 2.77Å; L218-R241 HydrophobicContact CD1-CB 4.04Å; G237-R241 PolarHBondContact O-N 3.18Å; I238-R241 WeakPolarHBondContact O-CB 3.41Å; I238-R241 PolarHBondContact O-N 3.1Å; I238-R241 VanDerWaalsContact O-N 3.15Å; K239-R241 VanDerWaalsContact C-N 3.34Å; R241-I243 VanDerWaalsContact C-N 3.34Å; R241-I243 PolarHBondContact O-N 3.17Å; R241-L244 PolarHBondContact O-N 2.82Å; R241-H245 PolarHBondContact NE-CE1 3.4Å; R241-H245 VanDerWaalsContact NE-CE1 3.29Å; R241-H245 PolarHBondContact NE-NE2 2.85Å; R241-H245 WeakPolarHBondContact O-CB 3.38Å; R241-H245 PolarHBondContact O-CD2 3.41Å; R241-H245 VanDerWaalsContact O-CD2 3.25Å; R241-H245 PolarHBondContact O-N 3.19Å; R241-E290 IonicContact CZ-OE1 3.21Å; R241-E290 IonicContact NH2-OE1 3.51Å; R241-E290 PolarHBondContact NH2-OE1 3.43Å
242	E	96	Very high	91.6	Very high	121 Å²	121	43.3 Å²	43.3	57%	0.565	22%	0.215	S	C	*	.	H	α-helix	trans	-59.5	-44.2	178.7	-73	170.4	173.9	0	0	111.9	I238 K239 A240 H245 A246	I238-E242 HydrophobicContact CG2-CG 4.49Å; I238-E242 WeakPolarHBondContact O-CG 3.47Å; I238-E242 PolarHBondContact O-N 2.84Å; K239-E242 PolarHBondContact O-N 3.22Å; A240-E242 PolarHBondContact O-N 3.05Å; E242-H245 PolarHBondContact O-N 3.46Å; E242-A246 WeakPolarHBondContact O-CB 3.47Å; E242-A246 PolarHBondContact O-N 3.47Å
243	I	95.3	Very high	90.9	Very high	41 Å²	41	47.3 Å²	47.3	21%	0.21	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-47.3	176.5	-66.1	165	0	0	0	110.8	Y210 T214 K239 A240 R241 A246 N247	Y210-I243 HydrophobicContact CE1-CG2 3.94Å; T214-I243 HydrophobicContact CG2-CB 3.95Å; T214-I243 HydrophobicContact CG2-CD1 4.42Å; T214-I243 HydrophobicContact CG2-CG2 3.85Å; K239-I243 HydrophobicContact CG-CD1 4.36Å; K239-I243 WeakPolarHBondContact O-CG1 3.12Å; K239-I243 PolarHBondContact O-N 2.73Å; K239-I243 VanDerWaalsContact O-N 3.11Å; A240-I243 PolarHBondContact O-N 2.93Å; R241-I243 VanDerWaalsContact C-N 3.34Å; R241-I243 PolarHBondContact O-N 3.17Å; I243-A246 PolarHBondContact O-N 3.01Å; I243-N247 PolarHBondContact O-N 3.28Å; I243-N247 VanDerWaalsContact O-N 3.13Å; I243-N247 PolarHBondContact O-ND2 2.92Å
244	L	93.9	Very high	89.9	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-46.8	177.8	-70.4	163.3	0	0	0	110.7	L211 T214 F215 L218 A240 R241 A246 N247 M248 V293	L211-L244 HydrophobicContact CD2-CD2 4.19Å; T214-L244 HydrophobicContact CG2-CD1 4.4Å; T214-L244 HydrophobicContact CG2-CD2 4.32Å; T214-L244 HydrophobicContact CG2-CG 3.93Å; F215-L244 HydrophobicContact CB-CD2 4.49Å; F215-L244 HydrophobicContact CD2-CD1 3.93Å; F215-L244 HydrophobicContact CD2-CD2 4.5Å; L218-L244 HydrophobicContact CB-CD1 4.22Å; L218-L244 HydrophobicContact CD1-CD1 3.59Å; A240-L244 WeakPolarHBondContact O-CG 3.49Å; A240-L244 PolarHBondContact O-N 3.23Å; R241-L244 PolarHBondContact O-N 2.82Å; L244-A246 PolarHBondContact O-N 3.41Å; L244-N247 PolarHBondContact O-N 3.02Å; L244-M248 VanDerWaalsContact O-CG 3.29Å; L244-M248 WeakPolarHBondContact O-CG 3.42Å; L244-M248 PolarHBondContact O-N 2.84Å; L244-V293 HydrophobicContact CB-CG2 4.16Å
245	H	93.8	Very high	88.8	Confident	15 Å²	15	51.5 Å²	51.5	7%	0.069	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-41.8	177.8	-81.7	-148.6	0	0	0	112.5	R241 E242 N247 M248 A249 Q286 K289	R241-H245 PolarHBondContact NE-CE1 3.4Å; R241-H245 VanDerWaalsContact NE-CE1 3.29Å; R241-H245 PolarHBondContact NE-NE2 2.85Å; R241-H245 WeakPolarHBondContact O-CB 3.38Å; R241-H245 PolarHBondContact O-CD2 3.41Å; R241-H245 VanDerWaalsContact O-CD2 3.25Å; R241-H245 PolarHBondContact O-N 3.19Å; E242-H245 PolarHBondContact O-N 3.46Å; H245-N247 VanDerWaalsContact C-N 3.33Å; H245-N247 PolarHBondContact O-N 3.06Å; H245-M248 PolarHBondContact O-N 2.99Å; H245-A249 WeakPolarHBondContact O-CB 3.27Å; H245-A249 PolarHBondContact O-N 2.93Å; H245-Q286 PolarHBondContact CE1-NE2 2.97Å; H245-K289 HydrophobicContact CB-CD 4.2Å; H245-K289 WeakPolarHBondContact O-CD 3.26Å
246	A	91.7	Very high	87.7	Confident	63 Å²	63	51.5 Å²	51.5	52%	0.521	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-40.7	178	0	0	0	0	0	111.7	E242 I243 L244 A249 K250	E242-A246 WeakPolarHBondContact O-CB 3.47Å; E242-A246 PolarHBondContact O-N 3.47Å; I243-A246 PolarHBondContact O-N 3.01Å; L244-A246 PolarHBondContact O-N 3.41Å; A246-A249 PolarHBondContact O-N 3.48Å; A246-K250 PolarHBondContact O-N 3.25Å
247	N	87.1	Confident	86.5	Confident	29 Å²	29	52.8 Å²	52.8	16%	0.155	26%	0.259	C	S	.	.	H	α-helix	trans	-67.8	-44.3	175.3	-77	-92.6	0	0	0	111.4	L211 I243 L244 H245 A249 K250 I251	L211-N247 HydrophobicContact CD1-CB 4.49Å; L211-N247 HydrophobicContact CD2-CB 4.02Å; I243-N247 PolarHBondContact O-N 3.28Å; I243-N247 VanDerWaalsContact O-N 3.13Å; I243-N247 PolarHBondContact O-ND2 2.92Å; L244-N247 PolarHBondContact O-N 3.02Å; H245-N247 VanDerWaalsContact C-N 3.33Å; H245-N247 PolarHBondContact O-N 3.06Å; N247-A249 VanDerWaalsContact C-N 3.29Å; N247-A249 PolarHBondContact O-N 3.44Å; N247-K250 PolarHBondContact O-N 2.78Å; N247-I251 WeakPolarHBondContact O-CD1 3.44Å; N247-I251 WeakPolarHBondContact O-CG1 3.36Å; N247-I251 PolarHBondContact O-N 3.23Å
248	M	86.9	Confident	85.1	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.02	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-36.4	176.5	-66.4	-57.7	100.4	0	0	112	L199 L201 L244 H245 I251 I252 K289 A292 V293	L199-M248 HydrophobicContact CD1-SD 3.94Å; L201-M248 HydrophobicContact CD1-CE 3.97Å; L201-M248 HydrophobicContact CD1-SD 4.44Å; L244-M248 VanDerWaalsContact O-CG 3.29Å; L244-M248 WeakPolarHBondContact O-CG 3.42Å; L244-M248 PolarHBondContact O-N 2.84Å; H245-M248 PolarHBondContact O-N 2.99Å; M248-I251 HydrophobicContact CE-CD1 3.68Å; M248-I251 WeakPolarHBondContact O-CB 3.49Å; M248-I251 PolarHBondContact O-N 3.14Å; M248-I252 WeakPolarHBondContact O-CB 3.48Å; M248-I252 WeakPolarHBondContact O-CD1 3.2Å; M248-I252 WeakPolarHBondContact O-CG1 3.39Å; M248-I252 PolarHBondContact O-N 2.88Å; M248-K289 HydrophobicContact CB-CB 4.44Å; M248-K289 HydrophobicContact CB-CG 4.04Å; M248-A292 HydrophobicContact CG-CB 4.28Å; M248-A292 HydrophobicContact SD-CB 3.94Å; M248-V293 HydrophobicContact CG-CG2 4.43Å
249	A	86.2	Confident	83.2	Confident	18 Å²	18	63.3 Å²	63.3	15%	0.149	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-53	178.4	0	0	0	0	0	111.8	H245 A246 N247 I251 I252 E253 K289	H245-A249 WeakPolarHBondContact O-CB 3.27Å; H245-A249 PolarHBondContact O-N 2.93Å; A246-A249 PolarHBondContact O-N 3.48Å; N247-A249 VanDerWaalsContact C-N 3.29Å; N247-A249 PolarHBondContact O-N 3.44Å; A249-I251 PolarHBondContact O-N 3.43Å; A249-I252 PolarHBondContact O-N 3.12Å; A249-I252 VanDerWaalsContact O-N 3.1Å; A249-E253 WeakPolarHBondContact O-CG 3.5Å; A249-E253 PolarHBondContact O-N 3.13Å; A249-K289 HydrophobicContact CB-CD 3.91Å
250	K	77.7	Confident	80.9	Confident	120 Å²	120	65.8 Å²	65.8	52%	0.522	32%	0.315	S	S	.	.	H	α-helix	trans	-57.1	-42.2	179.6	-174.8	-179.6	-180	-169.7	0	111.9	A246 N247 E253 E254	A246-K250 PolarHBondContact O-N 3.25Å; N247-K250 PolarHBondContact O-N 2.78Å; K250-E253 PolarHBondContact O-N 3.2Å; K250-E254 WeakPolarHBondContact CE-OE1 3.46Å; K250-E254 IonicContact NZ-OE1 3.95Å; K250-E254 WeakPolarHBondContact O-CG 3.39Å; K250-E254 PolarHBondContact O-N 3.29Å
251	I	71.9	Confident	78.8	Confident	25 Å²	25	72.5 Å²	72.5	13%	0.128	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-46.1	176.7	-82.7	162.6	0	0	0	112.1	L201 M203 N247 M248 A249 E253 E254 K255	L201-I251 HydrophobicContact CD1-CD1 3.62Å; L201-I251 HydrophobicContact CD1-CG2 4.36Å; L201-I251 HydrophobicContact CD2-CB 4.12Å; L201-I251 HydrophobicContact CD2-CD1 3.94Å; L201-I251 HydrophobicContact CD2-CG1 4.01Å; L201-I251 HydrophobicContact CD2-CG2 3.08Å; L201-I251 HydrophobicContact CG-CD1 4.29Å; L201-I251 HydrophobicContact CG-CG2 4.31Å; M203-I251 HydrophobicContact CE-CD1 4.1Å; M203-I251 HydrophobicContact SD-CD1 4Å; N247-I251 WeakPolarHBondContact O-CD1 3.44Å; N247-I251 WeakPolarHBondContact O-CG1 3.36Å; N247-I251 PolarHBondContact O-N 3.23Å; M248-I251 HydrophobicContact CE-CD1 3.68Å; M248-I251 WeakPolarHBondContact O-CB 3.49Å; M248-I251 PolarHBondContact O-N 3.14Å; A249-I251 PolarHBondContact O-N 3.43Å; I251-E253 VanDerWaalsContact C-N 3.3Å; I251-E253 PolarHBondContact O-N 3.49Å; I251-E254 PolarHBondContact O-N 3.02Å; I251-K255 VanDerWaalsContact O-CB 3.3Å; I251-K255 WeakPolarHBondContact O-CB 3.38Å; I251-K255 PolarHBondContact O-N 3.15Å
252	I	77.8	Confident	76.6	Confident	5 Å²	5	79.3 Å²	79.3	3%	0.026	39%	0.389	C	S	.	.	H	α-helix	trans	-64.2	-41.7	-178.8	-71.7	165.9	0	0	0	109.5	M248 A249 K255 M256 F269 L288 K289	M248-I252 WeakPolarHBondContact O-CB 3.48Å; M248-I252 WeakPolarHBondContact O-CD1 3.2Å; M248-I252 WeakPolarHBondContact O-CG1 3.39Å; M248-I252 PolarHBondContact O-N 2.88Å; A249-I252 PolarHBondContact O-N 3.12Å; A249-I252 VanDerWaalsContact O-N 3.1Å; I252-K255 PolarHBondContact O-N 3.09Å; I252-M256 HydrophobicContact CG2-CG 4.34Å; I252-M256 HydrophobicContact CG2-SD 3.89Å; I252-M256 WeakPolarHBondContact O-CB 3.29Å; I252-M256 VanDerWaalsContact O-CG 3.24Å; I252-M256 WeakPolarHBondContact O-CG 3.41Å; I252-M256 PolarHBondContact O-N 2.99Å; I252-F269 HydrophobicContact CB-CZ 4.07Å; I252-F269 HydrophobicContact CD1-CE2 3.85Å; I252-F269 HydrophobicContact CD1-CZ 4.07Å; I252-F269 HydrophobicContact CG1-CE1 4.46Å; I252-F269 HydrophobicContact CG1-CE2 3.59Å; I252-F269 HydrophobicContact CG1-CZ 3.55Å; I252-F269 HydrophobicContact CG2-CE1 4.22Å; I252-F269 HydrophobicContact CG2-CE2 4.45Å; I252-F269 HydrophobicContact CG2-CZ 3.58Å; I252-L288 HydrophobicContact CD1-CB 3.82Å; I252-K289 HydrophobicContact CD1-CG 3.91Å
253	E	80.4	Confident	74.8	Confident	100 Å²	100	78.7 Å²	78.7	47%	0.467	39%	0.39	S	S	.	.	H	α-helix	trans	-60.4	-54	175.8	-71.1	164.5	-171.1	0	0	111.2	A249 K250 I251 K255 M256 E257	A249-E253 WeakPolarHBondContact O-CG 3.5Å; A249-E253 PolarHBondContact O-N 3.13Å; K250-E253 PolarHBondContact O-N 3.2Å; I251-E253 VanDerWaalsContact C-N 3.3Å; I251-E253 PolarHBondContact O-N 3.49Å; E253-K255 PolarHBondContact O-N 2.97Å; E253-M256 PolarHBondContact O-N 3.29Å; E253-M256 VanDerWaalsContact O-N 3.15Å; E253-E257 WeakPolarHBondContact O-CG 3.26Å; E253-E257 PolarHBondContact O-N 2.82Å
254	E	74.8	Confident	73.5	Confident	72 Å²	72	84.8 Å²	84.8	34%	0.336	42%	0.423	S	S	.	.	H	α-helix	trans	-55.8	-38.2	177.1	-73.7	175	-164.3	0	0	112	K250 I251 E257 R258	K250-E254 WeakPolarHBondContact CE-OE1 3.46Å; K250-E254 IonicContact NZ-OE1 3.95Å; K250-E254 WeakPolarHBondContact O-CG 3.39Å; K250-E254 PolarHBondContact O-N 3.29Å; I251-E254 PolarHBondContact O-N 3.02Å; E254-E257 PolarHBondContact O-N 3.22Å; E254-R258 WeakPolarHBondContact O-CG 3.24Å; E254-R258 PolarHBondContact O-N 2.88Å; E254-R258 VanDerWaalsContact O-N 3.11Å; E254-R258 IonicContact OE2-NH2 3.98Å
255	K	72.8	Confident	72.6	Confident	40 Å²	40	85.8 Å²	85.8	17%	0.174	43%	0.427	C	S	.	.	H	α-helix	trans	-73.3	-40.5	180	-175	165.1	-179	169.6	0	112.7	I251 I252 E253 E257 R258 Q259 D267 F269 D270	I251-K255 VanDerWaalsContact O-CB 3.3Å; I251-K255 WeakPolarHBondContact O-CB 3.38Å; I251-K255 PolarHBondContact O-N 3.15Å; I252-K255 PolarHBondContact O-N 3.09Å; E253-K255 PolarHBondContact O-N 2.97Å; K255-E257 PolarHBondContact O-N 3.4Å; K255-R258 PolarHBondContact O-N 3.36Å; K255-Q259 PolarHBondContact O-N 3.49Å; K255-D267 IonicContact NZ-OD1 2.7Å; K255-D267 PolarHBondContact NZ-OD1 3.06Å; K255-D267 IonicContact NZ-OD2 2.75Å; K255-D267 PolarHBondContact NZ-OD2 2.91Å; K255-F269 HydrophobicContact CD-CB 4.49Å; K255-F269 HydrophobicContact CD-CD1 3.96Å; K255-D270 WeakPolarHBondContact CE-OD1 3.28Å; K255-D270 WeakPolarHBondContact CE-OD2 3.36Å; K255-D270 IonicContact NZ-OD1 2.74Å; K255-D270 PolarHBondContact NZ-OD1 3.31Å; K255-D270 VanDerWaalsContact NZ-OD1 3.1Å; K255-D270 IonicContact NZ-OD2 2.92Å; K255-D270 PolarHBondContact NZ-OD2 3.43Å
256	M	73.9	Confident	71.9	Confident	105 Å²	105	90.4 Å²	90.4	52%	0.517	45%	0.448	S	S	.	.	H	α-helix	trans	-63.1	-31.4	174.6	-73.8	-179.5	68.8	0	0	111.6	I252 E253	I252-M256 HydrophobicContact CG2-CG 4.34Å; I252-M256 HydrophobicContact CG2-SD 3.89Å; I252-M256 WeakPolarHBondContact O-CB 3.29Å; I252-M256 VanDerWaalsContact O-CG 3.24Å; I252-M256 WeakPolarHBondContact O-CG 3.41Å; I252-M256 PolarHBondContact O-N 2.99Å; E253-M256 PolarHBondContact O-N 3.29Å; E253-M256 VanDerWaalsContact O-N 3.15Å
257	E	72.9	Confident	71.6	Confident	146 Å²	146	87.7 Å²	87.7	68%	0.682	43%	0.425	S	S	*	.	H	α-helix	trans	-71.4	-36.9	172.8	-69.5	174.3	178.7	0	0	112.6	E253 E254 K255	E253-E257 WeakPolarHBondContact O-CG 3.26Å; E253-E257 PolarHBondContact O-N 2.82Å; E254-E257 PolarHBondContact O-N 3.22Å; K255-E257 PolarHBondContact O-N 3.4Å
258	R	67.4	Low	71.5	Confident	144 Å²	144	86.3 Å²	86.3	54%	0.543	42%	0.418	S	S	.	.	H	α-helix	trans	-77.9	-11.7	-179.1	-73	-177.8	-156.1	-165	8.2	115.7	E254 K255 Q260 L261	E254-R258 WeakPolarHBondContact O-CG 3.24Å; E254-R258 PolarHBondContact O-N 2.88Å; E254-R258 VanDerWaalsContact O-N 3.11Å; E254-R258 IonicContact OE2-NH2 3.98Å; K255-R258 PolarHBondContact O-N 3.36Å; R258-Q260 PolarHBondContact O-N 2.96Å; R258-L261 PolarHBondContact O-N 3.45Å
259	Q	56.3	Low	71.3	Confident	107 Å²	107	86.6 Å²	86.6	50%	0.5	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	9.5	177.7	-83.9	-174.3	-11.6	0	0	115	K255 D270	K255-Q259 PolarHBondContact O-N 3.49Å; Q259-D270 PolarHBondContact NE2-OD1 3.16Å
260	Q	50.1	Low	71.2	Confident	183 Å²	183	87.2 Å²	87.2	86%	0.855	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	0.3	171.4	-74.6	174.3	-10.6	0	0	114.3	R258	R258-Q260 PolarHBondContact O-N 2.96Å
261	L	51.2	Low	71.7	Confident	142 Å²	142	82.1 Å²	82.1	74%	0.743	40%	0.398	S	S	*	.	S	Bend	trans	-120	127.4	178.9	-72.1	156.5	0	0	0	110.5	R258 D263	R258-L261 PolarHBondContact O-N 3.45Å; L261-D263 PolarHBondContact O-N 3.2Å
262	D	51	Low	72.3	Confident	184 Å²	184	81.1 Å²	81.1	98%	0.984	39%	0.393	S	S	*	.			trans	-54.6	100.2	175.2	-94.4	-28	0	0	0	110.8
263	D	58.5	Low	72.7	Confident	107 Å²	107	82.4 Å²	82.4	57%	0.572	40%	0.399	S	S	*	.			trans	-114.7	124.9	160.3	-164.9	-3.9	0	0	0	107.2	L261 Y265	L261-D263 PolarHBondContact O-N 3.2Å; D263-Y265 PolarHBondContact O-N 3Å
264	D	66.4	Low	72.9	Confident	169 Å²	169	79.5 Å²	79.5	90%	0.904	39%	0.39	S	S	*	.	S	Bend	trans	-71.2	-14.6	-176.4	-166.5	35	0	0	0	111.7
265	Y	75.5	Confident	73.3	Confident	23 Å²	23	76.1 Å²	76.1	9%	0.09	38%	0.375	C	S	.	.			trans	-89.4	117.7	179	-177	-98.2	0	0	0	113.6	S157 Y158 R161 V197 D263 D267	S157-Y265 WeakPolarHBondContact O-CE2 3.3Å; Y158-Y265 AromaticContact CD1-CE2 3.94Å; Y158-Y265 HydrophobicContact CD1-CE2 3.94Å; Y158-Y265 AromaticContact CD1-CZ 3.78Å; Y158-Y265 WeakPolarHBondContact CD1-OH 3.33Å; Y158-Y265 HydrophobicContact CE1-CE2 4.49Å; R161-Y265 HydrophobicContact CG-CE2 4.39Å; V197-Y265 WeakPolarHBondContact CG1-OH 2.96Å; V197-Y265 PolarHBondContact O-OH 2.77Å; D263-Y265 PolarHBondContact O-N 3Å; Y265-D267 HydrophobicContact CD1-CB 4.3Å; Y265-D267 HydrophobicContact CE1-CB 3.66Å
266	Q	79.9	Confident	73.9	Confident	113 Å²	113	74.3 Å²	74.3	53%	0.528	37%	0.368	S	S	.	.			trans	-96.5	120.5	170.4	-64.3	-175.6	-16.3	0	0	111.3	Y158 D270 L271	Y158-Q266 WeakPolarHBondContact CE1-O 3.24Å; Q266-D270 HydrophobicContact CB-CB 4.38Å; Q266-L271 HydrophobicContact CB-CD2 4.36Å; Q266-L271 HydrophobicContact CB-CG 4.38Å
267	D	84.6	Confident	74.5	Confident	5 Å²	5	76.9 Å²	76.9	3%	0.027	38%	0.376	C	S	.	.			trans	-91.5	-177.4	174.4	73.8	24.7	0	0	0	112.9	L198 G200 K255 Y265 F269 D270 L271	L198-D267 WeakPolarHBondContact O-CB 3.35Å; G200-D267 WeakPolarHBondContact CA-OD2 3.13Å; G200-D267 PolarHBondContact N-OD2 2.98Å; K255-D267 IonicContact NZ-OD1 2.7Å; K255-D267 PolarHBondContact NZ-OD1 3.06Å; K255-D267 IonicContact NZ-OD2 2.75Å; K255-D267 PolarHBondContact NZ-OD2 2.91Å; Y265-D267 HydrophobicContact CD1-CB 4.3Å; Y265-D267 HydrophobicContact CE1-CB 3.66Å; D267-F269 PolarHBondContact O-N 2.86Å; D267-F269 VanDerWaalsContact OD1-CA 3.31Å; D267-F269 WeakPolarHBondContact OD1-CA 3.42Å; D267-F269 WeakPolarHBondContact OD1-CB 3.42Å; D267-F269 PolarHBondContact OD1-N 3.39Å; D267-D270 PolarHBondContact N-OD2 3.27Å; D267-D270 PolarHBondContact O-N 3.02Å; D267-D270 PolarHBondContact OD1-N 3.28Å; D267-D270 VanDerWaalsContact OD1-N 3.16Å; D267-L271 VanDerWaalsContact O-CG 3.28Å; D267-L271 WeakPolarHBondContact O-CG 3.39Å; D267-L271 PolarHBondContact O-N 3.45Å; D267-L271 VanDerWaalsContact O-N 3.14Å
268	A	85.6	Confident	75	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-59.3	-33	-179.6	0	0	0	0	0	112.4	V149 Y158 L198 M272 L295	V149-A268 HydrophobicContact CB-CB 4.28Å; V149-A268 HydrophobicContact CG1-CB 3.31Å; V149-A268 HydrophobicContact CG2-CB 4.02Å; Y158-A268 WeakPolarHBondContact OH-CA 3.42Å; Y158-A268 PolarHBondContact OH-N 3.46Å; Y158-A268 VanDerWaalsContact OH-N 3.1Å; L198-A268 HydrophobicContact CB-CB 4.14Å; L198-A268 WeakPolarHBondContact O-CA 3.29Å; L198-A268 WeakPolarHBondContact O-CB 3.24Å; L198-A268 PolarHBondContact O-N 3.38Å; A268-M272 VanDerWaalsContact O-CB 3.29Å; A268-M272 WeakPolarHBondContact O-CB 3.3Å; A268-M272 WeakPolarHBondContact O-CG 3.5Å; A268-M272 PolarHBondContact O-N 3.1Å; A268-L295 HydrophobicContact CB-CD1 3.94Å
269	F	82.4	Confident	75.7	Confident	10 Å²	10	73.3 Å²	73.3	4%	0.044	37%	0.365	C	S	.	.	H	α-helix	trans	-68.2	-46.1	-179	-162.6	-99.6	0	0	0	111.5	I252 K255 D267 L271 M272 L273 L288	I252-F269 HydrophobicContact CB-CZ 4.07Å; I252-F269 HydrophobicContact CD1-CE2 3.85Å; I252-F269 HydrophobicContact CD1-CZ 4.07Å; I252-F269 HydrophobicContact CG1-CE1 4.46Å; I252-F269 HydrophobicContact CG1-CE2 3.59Å; I252-F269 HydrophobicContact CG1-CZ 3.55Å; I252-F269 HydrophobicContact CG2-CE1 4.22Å; I252-F269 HydrophobicContact CG2-CE2 4.45Å; I252-F269 HydrophobicContact CG2-CZ 3.58Å; K255-F269 HydrophobicContact CD-CB 4.49Å; K255-F269 HydrophobicContact CD-CD1 3.96Å; D267-F269 PolarHBondContact O-N 2.86Å; D267-F269 VanDerWaalsContact OD1-CA 3.31Å; D267-F269 WeakPolarHBondContact OD1-CA 3.42Å; D267-F269 WeakPolarHBondContact OD1-CB 3.42Å; D267-F269 PolarHBondContact OD1-N 3.39Å; F269-L271 VanDerWaalsContact C-N 3.31Å; F269-L271 PolarHBondContact O-N 3.2Å; F269-M272 PolarHBondContact O-N 2.74Å; F269-L273 HydrophobicContact CD1-CD1 3.77Å; F269-L273 HydrophobicContact CD1-CG 4.28Å; F269-L273 HydrophobicContact CE1-CD1 3.56Å; F269-L273 HydrophobicContact CE1-CG 4.13Å; F269-L273 HydrophobicContact CZ-CD1 4.46Å; F269-L273 WeakPolarHBondContact O-CG 3.43Å; F269-L273 PolarHBondContact O-N 3.25Å; F269-L288 HydrophobicContact CD2-CD2 4.46Å; F269-L288 HydrophobicContact CE2-CB 3.86Å; F269-L288 HydrophobicContact CE2-CD1 4.31Å; F269-L288 HydrophobicContact CE2-CD2 3.68Å; F269-L288 HydrophobicContact CE2-CG 4.13Å; F269-L288 HydrophobicContact CZ-CB 4.16Å; F269-L288 HydrophobicContact CZ-CD1 3.8Å; F269-L288 HydrophobicContact CZ-CD2 3.86Å; F269-L288 HydrophobicContact CZ-CG 4.13Å
270	D	84.6	Confident	77.1	Confident	31 Å²	31	71.7 Å²	71.7	17%	0.166	38%	0.377	C	S	.	.	H	α-helix	trans	-63.1	-41.3	177.3	-60.2	-45.1	0	0	0	111.2	K255 Q259 Q266 D267 L273 S274	K255-D270 WeakPolarHBondContact CE-OD1 3.28Å; K255-D270 WeakPolarHBondContact CE-OD2 3.36Å; K255-D270 IonicContact NZ-OD1 2.74Å; K255-D270 PolarHBondContact NZ-OD1 3.31Å; K255-D270 VanDerWaalsContact NZ-OD1 3.1Å; K255-D270 IonicContact NZ-OD2 2.92Å; K255-D270 PolarHBondContact NZ-OD2 3.43Å; Q259-D270 PolarHBondContact NE2-OD1 3.16Å; Q266-D270 HydrophobicContact CB-CB 4.38Å; D267-D270 PolarHBondContact N-OD2 3.27Å; D267-D270 PolarHBondContact O-N 3.02Å; D267-D270 PolarHBondContact OD1-N 3.28Å; D267-D270 VanDerWaalsContact OD1-N 3.16Å; D270-L273 PolarHBondContact O-N 2.81Å; D270-S274 WeakPolarHBondContact O-CB 3.46Å; D270-S274 PolarHBondContact O-N 3.08Å; D270-S274 PolarHBondContact O-OG 2.67Å
271	L	87.9	Confident	78.7	Confident	14 Å²	14	65.8 Å²	65.8	7%	0.073	35%	0.35	C	S	.	.	H	α-helix	trans	-68.1	-34.6	177.4	-66.1	173.1	0	0	0	112.5	V149 A154 Y158 Q266 D267 F269 S274 G275	V149-L271 HydrophobicContact CG2-CB 4.38Å; A154-L271 HydrophobicContact CB-CD1 3.32Å; Y158-L271 VanDerWaalsContact OH-CD1 3.26Å; Y158-L271 WeakPolarHBondContact OH-CD1 3.48Å; Q266-L271 HydrophobicContact CB-CD2 4.36Å; Q266-L271 HydrophobicContact CB-CG 4.38Å; D267-L271 VanDerWaalsContact O-CG 3.28Å; D267-L271 WeakPolarHBondContact O-CG 3.39Å; D267-L271 PolarHBondContact O-N 3.45Å; D267-L271 VanDerWaalsContact O-N 3.14Å; F269-L271 VanDerWaalsContact C-N 3.31Å; F269-L271 PolarHBondContact O-N 3.2Å; L271-S274 WeakPolarHBondContact CA-OG 3.04Å; L271-S274 PolarHBondContact O-OG 3.36Å; L271-G275 PolarHBondContact O-N 3.07Å
272	M	85.3	Confident	80.3	Confident	4 Å²	4	68 Å²	68	2%	0.02	36%	0.357	C	S	.	.	H	α-helix	trans	-67.8	-44.7	173.1	-80.2	171	43.9	0	0	111.9	I145 L146 V149 A268 F269 G275 A276 L288 T291 L295	I145-M272 HydrophobicContact CG2-CB 4.45Å; L146-M272 HydrophobicContact CD2-CG 4.17Å; L146-M272 HydrophobicContact CD2-SD 3.92Å; V149-M272 HydrophobicContact CG2-CG 3.5Å; V149-M272 VanDerWaalsContact CG2-CG 3.5Å; V149-M272 HydrophobicContact CG2-SD 4.26Å; A268-M272 VanDerWaalsContact O-CB 3.29Å; A268-M272 WeakPolarHBondContact O-CB 3.3Å; A268-M272 WeakPolarHBondContact O-CG 3.5Å; A268-M272 PolarHBondContact O-N 3.1Å; F269-M272 PolarHBondContact O-N 2.74Å; M272-G275 PolarHBondContact O-N 2.89Å; M272-A276 WeakPolarHBondContact O-CB 3Å; M272-A276 PolarHBondContact O-N 3.29Å; M272-L288 HydrophobicContact CE-CD2 4.16Å; M272-T291 HydrophobicContact CE-CG2 3.23Å; M272-T291 HydrophobicContact SD-CG2 3.62Å; M272-L295 HydrophobicContact SD-CD1 3.88Å
273	L	84.9	Confident	82	Confident	31 Å²	31	60.6 Å²	60.6	16%	0.162	32%	0.317	C	S	.	.	H	α-helix	trans	-62.8	-46.3	177.4	-73.1	176.3	0	0	0	111.2	F269 D270 G275 A276 K277 L288	F269-L273 HydrophobicContact CD1-CD1 3.77Å; F269-L273 HydrophobicContact CD1-CG 4.28Å; F269-L273 HydrophobicContact CE1-CD1 3.56Å; F269-L273 HydrophobicContact CE1-CG 4.13Å; F269-L273 HydrophobicContact CZ-CD1 4.46Å; F269-L273 WeakPolarHBondContact O-CG 3.43Å; F269-L273 PolarHBondContact O-N 3.25Å; D270-L273 PolarHBondContact O-N 2.81Å; L273-G275 VanDerWaalsContact C-N 3.35Å; L273-A276 PolarHBondContact O-N 3.4Å; L273-K277 WeakPolarHBondContact O-CG 3.34Å; L273-K277 PolarHBondContact O-N 2.75Å; L273-L288 HydrophobicContact CD2-CD1 4.2Å; L273-L288 HydrophobicContact CD2-CD2 4.03Å
274	S	84.5	Confident	83.5	Confident	39 Å²	39	58.2 Å²	58.2	27%	0.273	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-39.7	175.4	68.8	0	0	0	0	112	K148 D270 L271 K277 E278	K148-S274 PolarHBondContact NZ-OG 3.44Å; D270-S274 WeakPolarHBondContact O-CB 3.46Å; D270-S274 PolarHBondContact O-N 3.08Å; D270-S274 PolarHBondContact O-OG 2.67Å; L271-S274 WeakPolarHBondContact CA-OG 3.04Å; L271-S274 PolarHBondContact O-OG 3.36Å; S274-K277 PolarHBondContact O-N 3.16Å; S274-E278 PolarHBondContact O-N 3.05Å
275	G	84	Confident	84.5	Confident	2 Å²	2	54 Å²	54	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-38.3	175.6	0	0	0	0	0	113.4	K148 L271 M272 L273 Q279	K148-G275 VanDerWaalsContact CD-CA 3.41Å; L271-G275 PolarHBondContact O-N 3.07Å; M272-G275 PolarHBondContact O-N 2.89Å; L273-G275 VanDerWaalsContact C-N 3.35Å; G275-Q279 WeakPolarHBondContact O-CG 3.35Å; G275-Q279 PolarHBondContact O-N 3.44Å
276	A	85.2	Confident	85.3	Confident	2 Å²	2	56.1 Å²	56.1	2%	0.017	30%	0.296	C	S	.	.	H	α-helix	trans	-66.6	-46.4	174.6	0	0	0	0	0	111.6	I145 M272 L273 E278 Q279 G280 Q281 L283	I145-A276 HydrophobicContact CD1-CB 4.19Å; M272-A276 WeakPolarHBondContact O-CB 3Å; M272-A276 PolarHBondContact O-N 3.29Å; L273-A276 PolarHBondContact O-N 3.4Å; A276-E278 VanDerWaalsContact C-N 3.33Å; A276-E278 PolarHBondContact O-N 3.12Å; A276-Q279 CarbonylContact O-C 3.49Å; A276-Q279 WeakPolarHBondContact O-CA 3.46Å; A276-Q279 PolarHBondContact O-N 3.18Å; A276-G280 PolarHBondContact O-N 3.08Å; A276-Q281 CarbonylContact C-O 3.57Å; A276-Q281 WeakPolarHBondContact CB-O 3.42Å; A276-Q281 PolarHBondContact O-N 3.35Å; A276-Q281 VanDerWaalsContact O-O 3.11Å; A276-L283 HydrophobicContact CB-CD1 3.76Å; A276-L283 HydrophobicContact CB-CD2 4.26Å; A276-L283 HydrophobicContact CB-CG 3.62Å
277	K	85.5	Confident	85.9	Confident	158 Å²	158	52.6 Å²	52.6	69%	0.687	28%	0.279	S	S	*	.	H	α-helix	trans	-56.1	-44.5	176.5	-74.5	178.8	-179.7	-179.7	0	112.2	L273 S274 Q279 G280	L273-K277 WeakPolarHBondContact O-CG 3.34Å; L273-K277 PolarHBondContact O-N 2.75Å; S274-K277 PolarHBondContact O-N 3.16Å; K277-Q279 VanDerWaalsContact C-N 3.26Å; K277-Q279 PolarHBondContact O-N 3.21Å; K277-G280 WeakPolarHBondContact O-CA 3.43Å; K277-G280 PolarHBondContact O-N 3.43Å
278	E	85.1	Confident	86.1	Confident	132 Å²	132	52.6 Å²	52.6	62%	0.617	28%	0.279	S	S	*	.	H	α-helix	trans	-64.1	-28.1	175.9	-79.9	177.2	-163.2	0	0	114.2	K148 S274 A276	K148-E278 WeakPolarHBondContact CE-OE1 3.45Å; K148-E278 WeakPolarHBondContact CE-OE2 3.47Å; K148-E278 IonicContact NZ-OE1 3.54Å; K148-E278 PolarHBondContact NZ-OE1 2.84Å; K148-E278 IonicContact NZ-OE2 3.97Å; K148-E278 PolarHBondContact NZ-OE2 3.26Å; S274-E278 PolarHBondContact O-N 3.05Å; A276-E278 VanDerWaalsContact C-N 3.33Å; A276-E278 PolarHBondContact O-N 3.12Å
279	Q	82.1	Confident	86.3	Confident	84 Å²	84	54.2 Å²	54.2	39%	0.393	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	5.7	173.3	-61.8	-59.3	-64.9	0	0	112.4	I145 G275 A276 K277 Q281	I145-Q279 HydrophobicContact CG1-CG 4.14Å; G275-Q279 WeakPolarHBondContact O-CG 3.35Å; G275-Q279 PolarHBondContact O-N 3.44Å; A276-Q279 CarbonylContact O-C 3.49Å; A276-Q279 WeakPolarHBondContact O-CA 3.46Å; A276-Q279 PolarHBondContact O-N 3.18Å; K277-Q279 VanDerWaalsContact C-N 3.26Å; K277-Q279 PolarHBondContact O-N 3.21Å; Q279-Q281 VanDerWaalsContact C-N 3.31Å; Q279-Q281 HydrophobicContact CB-CG 4.28Å
280	G	84.4	Confident	86.9	Confident	73 Å²	73	53.8 Å²	53.8	75%	0.753	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	31.6	-176.8	0	0	0	0	0	113	A276 K277	A276-G280 PolarHBondContact O-N 3.08Å; K277-G280 WeakPolarHBondContact O-CA 3.43Å; K277-G280 PolarHBondContact O-N 3.43Å
281	Q	83.7	Confident	87.2	Confident	58 Å²	58	52.8 Å²	52.8	27%	0.271	28%	0.279	S	S	.	.			trans	-120.8	140.6	-178.2	-56.2	-163.3	-56	0	0	111.3	A276 Q279	A276-Q281 CarbonylContact C-O 3.57Å; A276-Q281 WeakPolarHBondContact CB-O 3.42Å; A276-Q281 PolarHBondContact O-N 3.35Å; A276-Q281 VanDerWaalsContact O-O 3.11Å; Q279-Q281 VanDerWaalsContact C-N 3.31Å; Q279-Q281 HydrophobicContact CB-CG 4.28Å
282	E	85.4	Confident	87.3	Confident	190 Å²	190	52.3 Å²	52.3	89%	0.888	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-101.2	130.2	164.1	-68.5	-175.1	169.6	0	0	108.8
283	L	86.6	Confident	87.7	Confident	28 Å²	28	52.2 Å²	52.2	15%	0.147	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-88.9	129.5	177.2	-63.5	175.1	0	0	0	109.3	A276 L288	A276-L283 HydrophobicContact CB-CD1 3.76Å; A276-L283 HydrophobicContact CB-CD2 4.26Å; A276-L283 HydrophobicContact CB-CG 3.62Å; L283-L288 HydrophobicContact CB-CD1 4.35Å; L283-L288 HydrophobicContact CB-CD2 3.84Å; L283-L288 HydrophobicContact CB-CG 3.9Å; L283-L288 HydrophobicContact CD1-CD2 3.65Å; L283-L288 HydrophobicContact CG-CD2 4.41Å
284	S	90.3	Very high	88.1	Confident	56 Å²	56	51.5 Å²	51.5	39%	0.392	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-69.4	156.2	172.8	66.4	0	0	0	0	111.5	Q286 E287 L288	S284-Q286 PolarHBondContact O-N 2.92Å; S284-Q286 VanDerWaalsContact O-N 3.14Å; S284-E287 PolarHBondContact N-OE2 3.25Å; S284-E287 WeakPolarHBondContact O-CB 3.37Å; S284-E287 PolarHBondContact O-N 3.4Å; S284-E287 VanDerWaalsContact OG-CG 3.27Å; S284-E287 WeakPolarHBondContact OG-CG 3.33Å; S284-E287 PolarHBondContact OG-N 3.1Å; S284-E287 PolarHBondContact OG-OE2 2.8Å; S284-L288 WeakPolarHBondContact O-CG 3.42Å; S284-L288 PolarHBondContact O-N 2.79Å
285	I	87.6	Confident	88.4	Confident	82 Å²	82	50.1 Å²	50.1	42%	0.421	26%	0.262	S	S	.	.	H	α-helix	trans	-54.2	-36.3	173.9	-62.8	172.2	0	0	0	111	L288 K289	I285-L288 PolarHBondContact O-N 3.36Å; I285-K289 HydrophobicContact CG2-CD 4.2Å; I285-K289 HydrophobicContact CG2-CG 4.45Å; I285-K289 WeakPolarHBondContact O-CE 3.33Å; I285-K289 VanDerWaalsContact O-CG 3.3Å; I285-K289 WeakPolarHBondContact O-CG 3.4Å; I285-K289 PolarHBondContact O-N 2.84Å
286	Q	91.9	Very high	88.9	Confident	67 Å²	67	50.1 Å²	50.1	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-66.1	-42.3	177.3	-174.1	63.1	18.4	0	0	112.5	H245 S284 L288 K289 E290	H245-Q286 PolarHBondContact CE1-NE2 2.97Å; S284-Q286 PolarHBondContact O-N 2.92Å; S284-Q286 VanDerWaalsContact O-N 3.14Å; Q286-L288 VanDerWaalsContact C-N 3.32Å; Q286-K289 PolarHBondContact O-N 3.24Å; Q286-E290 PolarHBondContact NE2-OE1 2.79Å; Q286-E290 WeakPolarHBondContact O-CB 3.09Å; Q286-E290 WeakPolarHBondContact O-CG 3.44Å; Q286-E290 PolarHBondContact O-N 3.14Å
287	E	91.4	Very high	89.2	Confident	39 Å²	39	51.8 Å²	51.8	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-39.4	175.6	-72.3	179.3	108.5	0	0	112	N129 K142 S284 E290 T291	N129-E287 HydrophobicContact CB-CG 3.78Å; K142-E287 IonicContact NZ-OE1 3Å; K142-E287 PolarHBondContact NZ-OE1 2.95Å; S284-E287 PolarHBondContact N-OE2 3.25Å; S284-E287 WeakPolarHBondContact O-CB 3.37Å; S284-E287 PolarHBondContact O-N 3.4Å; S284-E287 VanDerWaalsContact OG-CG 3.27Å; S284-E287 WeakPolarHBondContact OG-CG 3.33Å; S284-E287 PolarHBondContact OG-N 3.1Å; S284-E287 PolarHBondContact OG-OE2 2.8Å; E287-E290 PolarHBondContact O-N 3.48Å; E287-T291 VanDerWaalsContact O-CB 3.28Å; E287-T291 WeakPolarHBondContact O-CB 3.24Å; E287-T291 PolarHBondContact O-N 3.37Å; E287-T291 PolarHBondContact O-OG1 2.97Å
288	L	88.9	Confident	89.4	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-63.4	-46.8	177.8	-70.2	169.5	0	0	0	111.4	I252 F269 M272 L273 L283 S284 I285 Q286 T291 A292	I252-L288 HydrophobicContact CD1-CB 3.82Å; F269-L288 HydrophobicContact CD2-CD2 4.46Å; F269-L288 HydrophobicContact CE2-CB 3.86Å; F269-L288 HydrophobicContact CE2-CD1 4.31Å; F269-L288 HydrophobicContact CE2-CD2 3.68Å; F269-L288 HydrophobicContact CE2-CG 4.13Å; F269-L288 HydrophobicContact CZ-CB 4.16Å; F269-L288 HydrophobicContact CZ-CD1 3.8Å; F269-L288 HydrophobicContact CZ-CD2 3.86Å; F269-L288 HydrophobicContact CZ-CG 4.13Å; M272-L288 HydrophobicContact CE-CD2 4.16Å; L273-L288 HydrophobicContact CD2-CD1 4.2Å; L273-L288 HydrophobicContact CD2-CD2 4.03Å; L283-L288 HydrophobicContact CB-CD1 4.35Å; L283-L288 HydrophobicContact CB-CD2 3.84Å; L283-L288 HydrophobicContact CB-CG 3.9Å; L283-L288 HydrophobicContact CD1-CD2 3.65Å; L283-L288 HydrophobicContact CG-CD2 4.41Å; S284-L288 WeakPolarHBondContact O-CG 3.42Å; S284-L288 PolarHBondContact O-N 2.79Å; I285-L288 PolarHBondContact O-N 3.36Å; Q286-L288 VanDerWaalsContact C-N 3.32Å; L288-T291 PolarHBondContact O-N 2.75Å; L288-A292 WeakPolarHBondContact O-CB 3.04Å; L288-A292 PolarHBondContact O-N 3.28Å
289	K	91.3	Very high	89.6	Confident	34 Å²	34	41.2 Å²	41.2	15%	0.148	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-47.6	174.9	-69.7	177.8	-54.3	-175.4	0	112.5	H245 M248 A249 I252 I285 Q286 T291 A292 V293	H245-K289 HydrophobicContact CB-CD 4.2Å; H245-K289 WeakPolarHBondContact O-CD 3.26Å; M248-K289 HydrophobicContact CB-CB 4.44Å; M248-K289 HydrophobicContact CB-CG 4.04Å; A249-K289 HydrophobicContact CB-CD 3.91Å; I252-K289 HydrophobicContact CD1-CG 3.91Å; I285-K289 HydrophobicContact CG2-CD 4.2Å; I285-K289 HydrophobicContact CG2-CG 4.45Å; I285-K289 WeakPolarHBondContact O-CE 3.33Å; I285-K289 VanDerWaalsContact O-CG 3.3Å; I285-K289 WeakPolarHBondContact O-CG 3.4Å; I285-K289 PolarHBondContact O-N 2.84Å; Q286-K289 PolarHBondContact O-N 3.24Å; K289-T291 VanDerWaalsContact C-N 3.31Å; K289-T291 PolarHBondContact O-N 3.09Å; K289-A292 PolarHBondContact O-N 3.44Å; K289-V293 WeakPolarHBondContact O-CG2 3.15Å; K289-V293 PolarHBondContact O-N 3Å; K289-V293 VanDerWaalsContact O-N 3.08Å
290	E	93.7	Very high	90.1	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-64.3	-38.8	179.6	-75.1	179.7	-169.4	0	0	111.6	N129 T130 R241 Q286 E287 V293 E294	N129-E290 WeakPolarHBondContact CA-OE2 3.39Å; N129-E290 WeakPolarHBondContact CB-OE2 3.41Å; N129-E290 PolarHBondContact N-OE2 3.37Å; N129-E290 PolarHBondContact ND2-OE2 2.89Å; T130-E290 HydrophobicContact CG2-CB 4.07Å; R241-E290 IonicContact CZ-OE1 3.21Å; R241-E290 IonicContact NH2-OE1 3.51Å; R241-E290 PolarHBondContact NH2-OE1 3.43Å; Q286-E290 PolarHBondContact NE2-OE1 2.79Å; Q286-E290 WeakPolarHBondContact O-CB 3.09Å; Q286-E290 WeakPolarHBondContact O-CG 3.44Å; Q286-E290 PolarHBondContact O-N 3.14Å; E287-E290 PolarHBondContact O-N 3.48Å; E290-V293 PolarHBondContact O-N 3.49Å; E290-E294 VanDerWaalsContact O-CB 3.32Å; E290-E294 WeakPolarHBondContact O-CB 3.35Å; E290-E294 PolarHBondContact O-N 3.28Å
291	T	91.3	Very high	90.5	Very high	10 Å²	10	34.4 Å²	34.4	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-70.4	-38.2	178.2	-52	0	0	0	0	111.7	L146 M272 E287 L288 K289 E294 L295	L146-T291 HydrophobicContact CD1-CG2 4.49Å; L146-T291 HydrophobicContact CD2-CG2 3.65Å; L146-T291 HydrophobicContact CG-CG2 4.45Å; M272-T291 HydrophobicContact CE-CG2 3.23Å; M272-T291 HydrophobicContact SD-CG2 3.62Å; E287-T291 VanDerWaalsContact O-CB 3.28Å; E287-T291 WeakPolarHBondContact O-CB 3.24Å; E287-T291 PolarHBondContact O-N 3.37Å; E287-T291 PolarHBondContact O-OG1 2.97Å; L288-T291 PolarHBondContact O-N 2.75Å; K289-T291 VanDerWaalsContact C-N 3.31Å; K289-T291 PolarHBondContact O-N 3.09Å; T291-E294 WeakPolarHBondContact O-CB 3.32Å; T291-E294 PolarHBondContact O-N 3.31Å; T291-L295 WeakPolarHBondContact O-CG 3.44Å; T291-L295 PolarHBondContact O-N 3.48Å
292	A	90.3	Very high	91.1	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.033	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-46.6	174.2	0	0	0	0	0	111.7	L199 M248 L288 K289 E294 L295 I296	L199-A292 HydrophobicContact CD1-CB 4.28Å; L199-A292 HydrophobicContact CD2-CB 3.83Å; M248-A292 HydrophobicContact CG-CB 4.28Å; M248-A292 HydrophobicContact SD-CB 3.94Å; L288-A292 WeakPolarHBondContact O-CB 3.04Å; L288-A292 PolarHBondContact O-N 3.28Å; K289-A292 PolarHBondContact O-N 3.44Å; A292-E294 VanDerWaalsContact C-N 3.31Å; A292-E294 PolarHBondContact O-N 3.24Å; A292-L295 PolarHBondContact O-N 2.87Å; A292-I296 WeakPolarHBondContact O-CG1 3.41Å; A292-I296 PolarHBondContact O-N 3.45Å; A292-I296 VanDerWaalsContact O-N 3.16Å
293	V	93	Very high	91.7	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-37.8	174.6	174.7	0	0	0	0	111.3	F215 L218 L244 M248 K289 E290 I296 F297	F215-V293 HydrophobicContact CE2-CG1 4.36Å; L218-V293 HydrophobicContact CD1-CG1 4.26Å; L244-V293 HydrophobicContact CB-CG2 4.16Å; M248-V293 HydrophobicContact CG-CG2 4.43Å; K289-V293 WeakPolarHBondContact O-CG2 3.15Å; K289-V293 PolarHBondContact O-N 3Å; K289-V293 VanDerWaalsContact O-N 3.08Å; E290-V293 PolarHBondContact O-N 3.49Å; V293-I296 PolarHBondContact O-N 2.7Å; V293-F297 VanDerWaalsContact O-CB 3.28Å; V293-F297 WeakPolarHBondContact O-CB 3.46Å; V293-F297 PolarHBondContact O-N 3.36Å
294	E	93.2	Very high	92.2	Very high	16 Å²	16	23.8 Å²	23.8	8%	0.075	14%	0.137	C	C	.	.	H	α-helix	trans	-63.7	-39.8	175.3	179.1	172.4	-145.1	0	0	112.7	T130 L131 V132 E290 T291 A292 F297 A298	T130-E294 VanDerWaalsContact CA-OE2 3.25Å; T130-E294 WeakPolarHBondContact CA-OE2 3.46Å; T130-E294 VanDerWaalsContact CB-CD 3.5Å; T130-E294 WeakPolarHBondContact CB-OE2 3.37Å; T130-E294 HydrophobicContact CG2-CB 4.01Å; T130-E294 HydrophobicContact CG2-CG 4.49Å; L131-E294 WeakPolarHBondContact CA-OE1 3.41Å; L131-E294 VanDerWaalsContact CB-OE1 3.27Å; L131-E294 WeakPolarHBondContact CB-OE1 3.48Å; L131-E294 PolarHBondContact N-OE1 3.44Å; L131-E294 PolarHBondContact N-OE2 3.38Å; V132-E294 WeakPolarHBondContact CB-OE1 3.42Å; V132-E294 WeakPolarHBondContact CG1-OE1 3.22Å; V132-E294 PolarHBondContact N-OE1 3.26Å; E290-E294 VanDerWaalsContact O-CB 3.32Å; E290-E294 WeakPolarHBondContact O-CB 3.35Å; E290-E294 PolarHBondContact O-N 3.28Å; T291-E294 WeakPolarHBondContact O-CB 3.32Å; T291-E294 PolarHBondContact O-N 3.31Å; A292-E294 VanDerWaalsContact C-N 3.31Å; A292-E294 PolarHBondContact O-N 3.24Å; E294-F297 WeakPolarHBondContact O-CB 3.47Å; E294-F297 PolarHBondContact O-N 3.49Å; E294-A298 WeakPolarHBondContact O-CB 3.42Å; E294-A298 PolarHBondContact O-N 3.09Å
295	L	92.3	Very high	92.6	Very high	9 Å²	9	21.1 Å²	21.1	5%	0.047	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-45.5	175.9	-73.6	174.4	0	0	0	111.4	L146 F150 L199 A268 M272 T291 A292 F297 A298 A299	L146-L295 HydrophobicContact CD2-CD2 4.16Å; F150-L295 HydrophobicContact CE2-CD2 4.09Å; F150-L295 HydrophobicContact CZ-CD2 3.71Å; L199-L295 HydrophobicContact CD2-CD1 4.34Å; A268-L295 HydrophobicContact CB-CD1 3.94Å; M272-L295 HydrophobicContact SD-CD1 3.88Å; T291-L295 WeakPolarHBondContact O-CG 3.44Å; T291-L295 PolarHBondContact O-N 3.48Å; A292-L295 PolarHBondContact O-N 2.87Å; L295-F297 VanDerWaalsContact C-N 3.34Å; L295-A298 PolarHBondContact O-N 2.79Å; L295-A299 WeakPolarHBondContact O-CB 3.36Å; L295-A299 PolarHBondContact O-N 3.01Å
296	I	93.1	Very high	93.1	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.015	10%	0.099	C	C	.	.	H	α-helix	trans	-60.4	-46.9	173.8	-60.7	169.4	0	0	0	109.8	F191 A194 V195 L199 F215 A292 V293 A298 A299 H300	F191-I296 HydrophobicContact CD2-CG2 3.76Å; F191-I296 HydrophobicContact CE2-CG2 3.7Å; A194-I296 HydrophobicContact CB-CB 4.48Å; A194-I296 HydrophobicContact CB-CG1 4.09Å; V195-I296 HydrophobicContact CG2-CD1 4.35Å; L199-I296 HydrophobicContact CD1-CD1 3.7Å; L199-I296 HydrophobicContact CD1-CG1 3.92Å; F215-I296 HydrophobicContact CD1-CG2 4.13Å; F215-I296 HydrophobicContact CD2-CB 4.5Å; F215-I296 HydrophobicContact CD2-CG2 3.75Å; F215-I296 HydrophobicContact CE1-CG2 4.03Å; F215-I296 HydrophobicContact CE2-CB 4.1Å; F215-I296 HydrophobicContact CE2-CG2 3.64Å; F215-I296 HydrophobicContact CG-CG2 4.03Å; F215-I296 HydrophobicContact CZ-CB 4.44Å; F215-I296 HydrophobicContact CZ-CG2 3.84Å; A292-I296 WeakPolarHBondContact O-CG1 3.41Å; A292-I296 PolarHBondContact O-N 3.45Å; A292-I296 VanDerWaalsContact O-N 3.16Å; V293-I296 PolarHBondContact O-N 2.7Å; I296-A298 PolarHBondContact O-N 3.29Å; I296-A299 PolarHBondContact O-N 2.81Å; I296-H300 WeakPolarHBondContact O-CB 3.48Å; I296-H300 PolarHBondContact O-N 2.95Å
297	F	92.3	Very high	93.4	Very high	36 Å²	36	14.3 Å²	14.3	16%	0.158	9%	0.085	C	C	.	.	H	α-helix	trans	-55.9	-45.9	177.6	167.6	-102	0	0	0	113.5	L126 F215 M219 L222 V293 E294 L295	L126-F297 HydrophobicContact CD1-CD1 4.1Å; L126-F297 HydrophobicContact CD1-CE1 3.89Å; L126-F297 HydrophobicContact CD1-CE2 4.46Å; L126-F297 HydrophobicContact CD1-CG 4.46Å; L126-F297 HydrophobicContact CD1-CZ 4.09Å; L126-F297 HydrophobicContact CD2-CB 4.41Å; L126-F297 HydrophobicContact CD2-CD1 4.44Å; L126-F297 HydrophobicContact CD2-CD2 4.18Å; L126-F297 HydrophobicContact CD2-CG 4.07Å; F215-F297 HydrophobicContact CE2-CB 4.42Å; F215-F297 VanDerWaalsContact CZ-CA 3.47Å; F215-F297 HydrophobicContact CZ-CB 3.89Å; M219-F297 HydrophobicContact CE-CD2 4.05Å; M219-F297 HydrophobicContact CE-CE2 3.83Å; M219-F297 HydrophobicContact SD-CD2 3.44Å; M219-F297 WeakPolarHBondContact SD-CD2 3.13Å; M219-F297 HydrophobicContact SD-CE2 3.78Å; L222-F297 HydrophobicContact CD1-CD2 3.89Å; L222-F297 HydrophobicContact CD1-CE2 3.33Å; L222-F297 HydrophobicContact CD1-CZ 4.26Å; V293-F297 VanDerWaalsContact O-CB 3.28Å; V293-F297 WeakPolarHBondContact O-CB 3.46Å; V293-F297 PolarHBondContact O-N 3.36Å; E294-F297 WeakPolarHBondContact O-CB 3.47Å; E294-F297 PolarHBondContact O-N 3.49Å; L295-F297 VanDerWaalsContact C-N 3.34Å
298	A	90	Very high	93.8	Very high	53 Å²	53	12.5 Å²	12.5	44%	0.438	8%	0.077	S	C	.	.	H	α-helix	trans	-67.1	-43.2	179.2	0	0	0	0	0	112	E294 L295 I296 T302	E294-A298 WeakPolarHBondContact O-CB 3.42Å; E294-A298 PolarHBondContact O-N 3.09Å; L295-A298 PolarHBondContact O-N 2.79Å; I296-A298 PolarHBondContact O-N 3.29Å; A298-T302 PolarHBondContact O-OG1 2.74Å
299	A	89.9	Confident	94.3	Very high	15 Å²	15	12.3 Å²	12.3	12%	0.124	8%	0.076	C	C	.	.	H	α-helix	trans	-83.6	-23.3	-171.9	0	0	0	0	0	114.4	A194 L198 L295 I296 T303	A194-A299 HydrophobicContact CB-CB 4.42Å; L198-A299 HydrophobicContact CD1-CB 4.4Å; L295-A299 WeakPolarHBondContact O-CB 3.36Å; L295-A299 PolarHBondContact O-N 3.01Å; I296-A299 PolarHBondContact O-N 2.81Å; A299-T303 WeakPolarHBondContact O-CB 3.46Å; A299-T303 PolarHBondContact O-OG1 2.95Å
300	H	92.3	Very high	94.6	Very high	4 Å²	4	10.8 Å²	10.8	2%	0.019	7%	0.069	C	C	.	.	H	α-helix	trans	-74.1	-76.2	-171.1	179.7	64.8	0	0	0	112.9	K187 T190 F215 I296 T302 A304	K187-H300 PolarHBondContact O-CE1 3.18Å; K187-H300 PolarHBondContact O-ND1 3.05Å; K187-H300 VanDerWaalsContact O-ND1 3.12Å; T190-H300 PolarHBondContact OG1-ND1 2.86Å; T190-H300 PolarHBondContact OG1-O 2.94Å; F215-H300 AromaticContact CD1-CD2 3.67Å; F215-H300 HydrophobicContact CE1-CB 3.99Å; F215-H300 AromaticContact CE1-CD2 3.56Å; F215-H300 AromaticContact CE1-CG 3.95Å; I296-H300 WeakPolarHBondContact O-CB 3.48Å; I296-H300 PolarHBondContact O-N 2.95Å; H300-T302 PolarHBondContact O-N 3Å; H300-A304 WeakPolarHBondContact O-CB 3.26Å; H300-A304 PolarHBondContact O-N 3.01Å
301	S	92.7	Very high	94.8	Very high	11 Å²	11	10.7 Å²	10.7	8%	0.077	7%	0.069	C	C	.	.	H	α-helix	trans	-72.9	-31.5	-168.2	-56.1	0	0	0	0	113.9	S305 I515	S301-S305 WeakPolarHBondContact O-CB 3.38Å; S301-S305 PolarHBondContact O-N 3.07Å; S301-I515 VanDerWaalsContact CB-CD1 3.44Å
302	T	96	Very high	95.2	Very high	45 Å²	45	10.2 Å²	10.2	28%	0.276	7%	0.066	S	C	.	.	H	α-helix	trans	-72.4	-45.4	-178.6	62.5	0	0	0	0	111.5	A298 H300 S305 A306 P403 V404	A298-T302 PolarHBondContact O-OG1 2.74Å; H300-T302 PolarHBondContact O-N 3Å; T302-S305 WeakPolarHBondContact O-CB 3.28Å; T302-S305 PolarHBondContact O-N 3.05Å; T302-A306 PolarHBondContact O-N 3.23Å; T302-P403 WeakPolarHBondContact O-CB 3.36Å; T302-P403 WeakPolarHBondContact O-CG 3.25Å; T302-V404 HydrophobicContact CG2-CG2 3.77Å
303	T	97.3	Very high	95.6	Very high	8 Å²	8	10.1 Å²	10.1	5%	0.049	7%	0.065	C	C	.	.	H	α-helix	trans	-69.1	-39.7	176	-43.8	0	0	0	0	110.7	T190 A299 S305 A306 S307 I486	T190-T303 HydrophobicContact CG2-CG2 3.78Å; A299-T303 WeakPolarHBondContact O-CB 3.46Å; A299-T303 PolarHBondContact O-OG1 2.95Å; T303-S305 VanDerWaalsContact C-N 3.33Å; T303-S305 PolarHBondContact O-N 3.19Å; T303-A306 PolarHBondContact O-N 3.37Å; T303-A306 VanDerWaalsContact O-N 3.16Å; T303-S307 WeakPolarHBondContact O-CB 3.08Å; T303-S307 PolarHBondContact O-N 2.91Å; T303-S307 PolarHBondContact O-OG 2.87Å; T303-S307 VanDerWaalsContact O-OG 3.08Å; T303-I486 HydrophobicContact CG2-CB 4.09Å; T303-I486 HydrophobicContact CG2-CD1 3.93Å; T303-I486 HydrophobicContact CG2-CG2 3.64Å
304	A	97.9	Very high	95.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.6	-45.9	176.5	0	0	0	0	0	111.2	A186 K187 T190 H300 A306 S307 T308	A186-A304 HydrophobicContact CB-CB 4.08Å; K187-A304 HydrophobicContact CB-CB 4.42Å; K187-A304 HydrophobicContact CG-CB 3.84Å; T190-A304 HydrophobicContact CG2-CB 4.29Å; H300-A304 WeakPolarHBondContact O-CB 3.26Å; H300-A304 PolarHBondContact O-N 3.01Å; A304-A306 PolarHBondContact O-N 3.02Å; A304-S307 PolarHBondContact O-N 2.66Å; A304-T308 WeakPolarHBondContact O-CB 3.3Å; A304-T308 PolarHBondContact O-N 3.46Å; A304-T308 PolarHBondContact O-OG1 3.41Å
305	S	98.3	Very high	96	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-56.9	-46.4	173.4	169.7	0	0	0	0	112.8	S301 T302 T303 S309 V516	S301-S305 WeakPolarHBondContact O-CB 3.38Å; S301-S305 PolarHBondContact O-N 3.07Å; T302-S305 WeakPolarHBondContact O-CB 3.28Å; T302-S305 PolarHBondContact O-N 3.05Å; T303-S305 VanDerWaalsContact C-N 3.33Å; T303-S305 PolarHBondContact O-N 3.19Å; S305-S309 WeakPolarHBondContact O-CB 3.4Å; S305-S309 PolarHBondContact O-N 3.14Å; S305-S309 PolarHBondContact O-OG 3.16Å; S305-V516 WeakPolarHBondContact CB-O 3.4Å; S305-V516 PolarHBondContact OG-O 2.7Å
306	A	98.6	Very high	96.3	Very high	3 Å²	3	14.9 Å²	14.9	3%	0.025	8%	0.083	C	C	.	.	H	α-helix	trans	-66	-43.3	178	0	0	0	0	0	112.2	T302 T303 A304 S309 L310 L398 P403 L487	T302-A306 PolarHBondContact O-N 3.23Å; T303-A306 PolarHBondContact O-N 3.37Å; T303-A306 VanDerWaalsContact O-N 3.16Å; A304-A306 PolarHBondContact O-N 3.02Å; A306-S309 PolarHBondContact O-N 3.3Å; A306-L310 WeakPolarHBondContact O-CB 3.39Å; A306-L310 PolarHBondContact O-N 3.39Å; A306-L398 HydrophobicContact CB-CD2 4Å; A306-P403 HydrophobicContact CB-CG 3.69Å; A306-L487 HydrophobicContact CB-CD1 3.82Å; A306-L487 HydrophobicContact CB-CD2 3.67Å; A306-L487 HydrophobicContact CB-CG 4.3Å
307	S	98.8	Very high	96.5	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.014	10%	0.095	C	C	.	.	H	α-helix	trans	-63.1	-44	177.4	-66.8	0	0	0	0	111.5	T303 A304 S309 L310 V311 L490	T303-S307 WeakPolarHBondContact O-CB 3.08Å; T303-S307 PolarHBondContact O-N 2.91Å; T303-S307 PolarHBondContact O-OG 2.87Å; T303-S307 VanDerWaalsContact O-OG 3.08Å; A304-S307 PolarHBondContact O-N 2.66Å; S307-S309 VanDerWaalsContact C-N 3.33Å; S307-S309 PolarHBondContact O-N 3Å; S307-L310 WeakPolarHBondContact O-CB 3.4Å; S307-L310 PolarHBondContact O-N 2.93Å; S307-V311 WeakPolarHBondContact O-CG2 3.47Å; S307-V311 PolarHBondContact O-N 2.78Å; S307-L490 VanDerWaalsContact CB-CD2 3.5Å
308	T	98.7	Very high	96.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-63.4	-40.8	173.6	-56.3	0	0	0	0	111.5	V182 Y183 A304 L310 V311 L312 P518 L522	V182-T308 HydrophobicContact CG1-CG2 4.3Å; Y183-T308 WeakPolarHBondContact CA-OG1 3.46Å; A304-T308 WeakPolarHBondContact O-CB 3.3Å; A304-T308 PolarHBondContact O-N 3.46Å; A304-T308 PolarHBondContact O-OG1 3.41Å; T308-L310 VanDerWaalsContact C-N 3.34Å; T308-V311 PolarHBondContact O-N 3.38Å; T308-L312 WeakPolarHBondContact O-CB 3.28Å; T308-L312 PolarHBondContact O-N 2.98Å; T308-P518 HydrophobicContact CG2-CG 3.98Å; T308-L522 HydrophobicContact CG2-CB 4.14Å; T308-L522 HydrophobicContact CG2-CD2 3.91Å
309	S	98.7	Very high	97.1	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.007	12%	0.122	C	C	.	.	H	α-helix	trans	-65.2	-38.4	177	-59.8	0	0	0	0	111.6	S305 A306 S307 L312 Q313	S305-S309 WeakPolarHBondContact O-CB 3.4Å; S305-S309 PolarHBondContact O-N 3.14Å; S305-S309 PolarHBondContact O-OG 3.16Å; A306-S309 PolarHBondContact O-N 3.3Å; S307-S309 VanDerWaalsContact C-N 3.33Å; S307-S309 PolarHBondContact O-N 3Å; S309-L312 PolarHBondContact O-N 3.35Å; S309-Q313 VanDerWaalsContact O-CG 3.31Å; S309-Q313 WeakPolarHBondContact O-CG 3.27Å; S309-Q313 PolarHBondContact O-N 2.87Å
310	L	98.8	Very high	97.5	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-59.3	-54.1	173.3	173.5	67.7	0	0	0	110.8	A306 S307 T308 L312 Q313 L314 V393 V397 L487 L490 A491	A306-L310 WeakPolarHBondContact O-CB 3.39Å; A306-L310 PolarHBondContact O-N 3.39Å; S307-L310 WeakPolarHBondContact O-CB 3.4Å; S307-L310 PolarHBondContact O-N 2.93Å; T308-L310 VanDerWaalsContact C-N 3.34Å; L310-L312 VanDerWaalsContact C-N 3.28Å; L310-L312 PolarHBondContact O-N 2.79Å; L310-Q313 PolarHBondContact O-N 2.93Å; L310-L314 HydrophobicContact CD1-CD1 3.91Å; L310-L314 HydrophobicContact CD1-CG 4.08Å; L310-L314 HydrophobicContact CG-CD1 4.05Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.47Å; L310-V393 HydrophobicContact CD1-CG1 4.08Å; L310-V397 HydrophobicContact CB-CG1 4.31Å; L310-V397 HydrophobicContact CB-CG2 4.41Å; L310-V397 HydrophobicContact CD1-CG2 4.01Å; L310-L487 HydrophobicContact CD2-CD2 4.35Å; L310-L487 WeakPolarHBondContact CD2-O 3.47Å; L310-L490 HydrophobicContact CD2-CD2 4.32Å; L310-L490 HydrophobicContact CD2-CG 4.43Å; L310-A491 HydrophobicContact CD1-CB 4.46Å; L310-A491 HydrophobicContact CD2-CB 4.01Å
311	V	98.6	Very high	97.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.8	-42.5	178	176.5	0	0	0	0	111.2	V182 S307 T308 L315 L494 L522 F526	V182-V311 HydrophobicContact CG1-CB 4.04Å; V182-V311 HydrophobicContact CG1-CG1 4.13Å; V182-V311 HydrophobicContact CG1-CG2 4.03Å; V182-V311 HydrophobicContact CG2-CG1 4.28Å; S307-V311 WeakPolarHBondContact O-CG2 3.47Å; S307-V311 PolarHBondContact O-N 2.78Å; T308-V311 PolarHBondContact O-N 3.38Å; V311-L315 HydrophobicContact CG1-CD1 4.23Å; V311-L315 WeakPolarHBondContact O-CB 3.18Å; V311-L315 WeakPolarHBondContact O-CG 3.41Å; V311-L315 PolarHBondContact O-N 2.91Å; V311-L494 HydrophobicContact CG2-CD1 3.7Å; V311-L522 HydrophobicContact CG1-CD2 4.32Å; V311-F526 HydrophobicContact CG1-CZ 4.44Å
312	L	98.5	Very high	98	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-60.2	-46.9	176.9	176.5	62.1	0	0	0	112.6	T308 S309 L310 L315 R316 L401 F507 M510 L522	T308-L312 WeakPolarHBondContact O-CB 3.28Å; T308-L312 PolarHBondContact O-N 2.98Å; S309-L312 PolarHBondContact O-N 3.35Å; L310-L312 VanDerWaalsContact C-N 3.28Å; L310-L312 PolarHBondContact O-N 2.79Å; L312-L315 WeakPolarHBondContact O-CB 3.47Å; L312-L315 PolarHBondContact O-N 3.47Å; L312-R316 WeakPolarHBondContact O-CG 3.46Å; L312-R316 PolarHBondContact O-N 2.88Å; L312-R316 VanDerWaalsContact O-N 3.14Å; L312-L401 HydrophobicContact CD2-CD1 4.26Å; L312-F507 HydrophobicContact CD1-CD1 3.41Å; L312-F507 VanDerWaalsContact CD1-CD1 3.41Å; L312-F507 HydrophobicContact CD1-CE1 3.96Å; L312-F507 HydrophobicContact CD1-CG 4.29Å; L312-M510 HydrophobicContact CD2-CE 4.15Å; L312-M510 HydrophobicContact CD2-CG 4.19Å; L312-M510 HydrophobicContact CD2-SD 3.59Å; L312-M510 VanDerWaalsContact CD2-SD 3.59Å; L312-L522 HydrophobicContact CB-CD2 3.93Å; L312-L522 HydrophobicContact CD1-CD1 4.13Å
313	Q	98.5	Very high	98.1	Very high	2 Å²	2	26 Å²	26	1%	0.009	14%	0.142	C	C	.	.	H	α-helix	trans	-71.6	-39	-178.6	-63.9	-51	-41.2	0	0	111.4	S309 L310 L315 R316 H317 V397 F448	S309-Q313 VanDerWaalsContact O-CG 3.31Å; S309-Q313 WeakPolarHBondContact O-CG 3.27Å; S309-Q313 PolarHBondContact O-N 2.87Å; L310-Q313 PolarHBondContact O-N 2.93Å; Q313-L315 VanDerWaalsContact C-N 3.31Å; Q313-L315 PolarHBondContact O-N 3.35Å; Q313-R316 PolarHBondContact O-N 3.5Å; Q313-R316 VanDerWaalsContact O-N 3.14Å; Q313-H317 WeakPolarHBondContact O-CB 3.34Å; Q313-H317 PolarHBondContact O-CD2 3.1Å; Q313-H317 PolarHBondContact O-N 3.08Å; Q313-V397 HydrophobicContact CB-CG2 4.27Å; Q313-V397 HydrophobicContact CG-CG2 4.28Å; Q313-F448 HydrophobicContact CB-CD1 4.36Å; Q313-F448 HydrophobicContact CB-CD2 4.07Å; Q313-F448 HydrophobicContact CB-CE1 4Å; Q313-F448 HydrophobicContact CB-CE2 3.68Å; Q313-F448 HydrophobicContact CB-CG 4.4Å; Q313-F448 HydrophobicContact CB-CZ 3.65Å; Q313-F448 HydrophobicContact CG-CD2 3.69Å; Q313-F448 HydrophobicContact CG-CE2 3.57Å; Q313-F448 HydrophobicContact CG-CG 4.32Å; Q313-F448 HydrophobicContact CG-CZ 4.1Å
314	L	98.4	Very high	98.1	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-62.1	-38.6	174.2	-65.6	179.1	0	0	0	111.9	L310 R316 H317 V320 V321 V393 I495 W500	L310-L314 HydrophobicContact CD1-CD1 3.91Å; L310-L314 HydrophobicContact CD1-CG 4.08Å; L310-L314 HydrophobicContact CG-CD1 4.05Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.47Å; L314-R316 VanDerWaalsContact C-N 3.34Å; L314-R316 PolarHBondContact O-N 3.04Å; L314-H317 CarbonylContact O-C 3.48Å; L314-H317 PolarHBondContact O-N 3.49Å; L314-V320 HydrophobicContact CD2-CG1 4.17Å; L314-V321 HydrophobicContact CB-CG2 3.85Å; L314-V321 HydrophobicContact CD2-CG2 3.97Å; L314-V321 HydrophobicContact CG-CG2 4.42Å; L314-V321 WeakPolarHBondContact O-CG2 3.45Å; L314-V393 HydrophobicContact CD2-CG1 4.03Å; L314-I495 HydrophobicContact CD1-CD1 4.26Å; L314-I495 HydrophobicContact CD1-CG1 4.39Å; L314-W500 HydrophobicContact CB-CZ2 3.99Å; L314-W500 HydrophobicContact CD1-CZ2 4.32Å
315	L	97.3	Very high	98	Very high	23 Å²	23	28.5 Å²	28.5	12%	0.12	15%	0.151	C	C	.	.	H	α-helix	trans	-60.8	-39.8	172.3	-88.3	169.4	0	0	0	113.4	V311 L312 Q313 H317 W500 F507 V524	V311-L315 HydrophobicContact CG1-CD1 4.23Å; V311-L315 WeakPolarHBondContact O-CB 3.18Å; V311-L315 WeakPolarHBondContact O-CG 3.41Å; V311-L315 PolarHBondContact O-N 2.91Å; L312-L315 WeakPolarHBondContact O-CB 3.47Å; L312-L315 PolarHBondContact O-N 3.47Å; Q313-L315 VanDerWaalsContact C-N 3.31Å; Q313-L315 PolarHBondContact O-N 3.35Å; L315-H317 VanDerWaalsContact C-N 3.34Å; L315-W500 HydrophobicContact CD2-CG 4.29Å; L315-F507 HydrophobicContact CB-CE1 3.89Å; L315-F507 HydrophobicContact CB-CZ 4.28Å; L315-F507 HydrophobicContact CD1-CE1 4.49Å; L315-V524 HydrophobicContact CD1-CG1 4.23Å; L315-V524 HydrophobicContact CD1-CG2 3.6Å
316	R	97.4	Very high	97.9	Very high	100 Å²	100	34.5 Å²	34.5	38%	0.377	18%	0.179	S	C	.	.	H	α-helix	trans	-76.9	-22	-177.8	-77	179.6	170.5	-160.8	-0.7	113.3	L312 Q313 L314 F507	L312-R316 WeakPolarHBondContact O-CG 3.46Å; L312-R316 PolarHBondContact O-N 2.88Å; L312-R316 VanDerWaalsContact O-N 3.14Å; Q313-R316 PolarHBondContact O-N 3.5Å; Q313-R316 VanDerWaalsContact O-N 3.14Å; L314-R316 VanDerWaalsContact C-N 3.34Å; L314-R316 PolarHBondContact O-N 3.04Å; R316-F507 HydrophobicContact CB-CZ 4.4Å; R316-F507 HydrophobicContact CG-CD1 4.02Å; R316-F507 HydrophobicContact CG-CD2 4.08Å; R316-F507 HydrophobicContact CG-CE1 3.61Å; R316-F507 HydrophobicContact CG-CE2 3.69Å; R316-F507 HydrophobicContact CG-CG 4.23Å; R316-F507 HydrophobicContact CG-CZ 3.43Å; R316-F507 VanDerWaalsContact CG-CZ 3.43Å
317	H	98	Very high	97.8	Very high	60 Å²	60	35.9 Å²	35.9	28%	0.278	19%	0.185	S	C	.	.			trans	-129.4	72.7	-171	-59.9	-76.6	0	0	0	111.5	Q313 L314 L315 A319 V320 V321 F448	Q313-H317 WeakPolarHBondContact O-CB 3.34Å; Q313-H317 PolarHBondContact O-CD2 3.1Å; Q313-H317 PolarHBondContact O-N 3.08Å; L314-H317 CarbonylContact O-C 3.48Å; L314-H317 PolarHBondContact O-N 3.49Å; L315-H317 VanDerWaalsContact C-N 3.34Å; H317-A319 VanDerWaalsContact C-N 3.25Å; H317-A319 PolarHBondContact O-N 2.94Å; H317-V320 HydrophobicContact CB-CB 4.02Å; H317-V320 HydrophobicContact CB-CG2 3.74Å; H317-V320 VanDerWaalsContact O-CB 3.31Å; H317-V320 WeakPolarHBondContact O-CB 3.25Å; H317-V320 PolarHBondContact O-N 3.29Å; H317-V321 PolarHBondContact O-N 3.41Å; H317-F448 AromaticContact CD2-CD1 3.41Å; H317-F448 VanDerWaalsContact CD2-CD1 3.41Å; H317-F448 WeakPolarHBondContact CD2-CD1 3.2Å; H317-F448 AromaticContact CD2-CG 3.95Å; H317-F448 AromaticContact CG-CD1 3.88Å; H317-F448 AromaticContact NE2-CD1 3.81Å; H317-F448 AromaticContact NE2-CG 3.93Å
318	P	96.9	Very high	97.7	Very high	81 Å²	81	36 Å²	36	53%	0.526	19%	0.185	S	C	.	.	H	α-helix	trans	-54.9	-37.5	179.6	-26.8	35.2	0	0	0	113.8	V320 V321 D322	P318-V320 PolarHBondContact O-N 2.99Å; P318-V321 WeakPolarHBondContact O-CA 3.32Å; P318-V321 VanDerWaalsContact O-CB 3.29Å; P318-V321 WeakPolarHBondContact O-CB 3.44Å; P318-V321 PolarHBondContact O-N 3.44Å; P318-D322 PolarHBondContact O-N 3.34Å
319	A	98.1	Very high	97.4	Very high	76 Å²	76	40.9 Å²	40.9	63%	0.628	21%	0.208	S	C	*	.	H	α-helix	trans	-60.2	-29.3	175.8	0	0	0	0	0	113.4	H317 K323	H317-A319 VanDerWaalsContact C-N 3.25Å; H317-A319 PolarHBondContact O-N 2.94Å; A319-K323 PolarHBondContact O-N 2.96Å; A319-K323 VanDerWaalsContact O-N 3.15Å
320	V	98.4	Very high	97.1	Very high	13 Å²	13	45 Å²	45	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-71.2	-38.2	173.1	173	0	0	0	0	110.5	L314 H317 P318 A324 Y389 V393 F448 P450	L314-V320 HydrophobicContact CD2-CG1 4.17Å; H317-V320 HydrophobicContact CB-CB 4.02Å; H317-V320 HydrophobicContact CB-CG2 3.74Å; H317-V320 VanDerWaalsContact O-CB 3.31Å; H317-V320 WeakPolarHBondContact O-CB 3.25Å; H317-V320 PolarHBondContact O-N 3.29Å; P318-V320 PolarHBondContact O-N 2.99Å; V320-A324 WeakPolarHBondContact O-CB 3.13Å; V320-A324 PolarHBondContact O-N 3.2Å; V320-Y389 HydrophobicContact CG1-CE1 4.21Å; V320-Y389 WeakPolarHBondContact O-CE1 3.41Å; V320-V393 HydrophobicContact CG1-CG1 4.28Å; V320-V393 HydrophobicContact CG1-CG2 3.49Å; V320-V393 VanDerWaalsContact CG1-CG2 3.49Å; V320-F448 HydrophobicContact CG2-CE1 4.37Å; V320-P450 HydrophobicContact CG1-CG 3.99Å; V320-P450 HydrophobicContact CG2-CG 4.01Å
321	V	98	Very high	96.9	Very high	12 Å²	12	48 Å²	48	7%	0.073	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-44.8	174.7	176.5	0	0	0	0	110.6	L314 H317 P318 A324 R325 I495 W500	L314-V321 HydrophobicContact CB-CG2 3.85Å; L314-V321 HydrophobicContact CD2-CG2 3.97Å; L314-V321 HydrophobicContact CG-CG2 4.42Å; L314-V321 WeakPolarHBondContact O-CG2 3.45Å; H317-V321 PolarHBondContact O-N 3.41Å; P318-V321 WeakPolarHBondContact O-CA 3.32Å; P318-V321 VanDerWaalsContact O-CB 3.29Å; P318-V321 WeakPolarHBondContact O-CB 3.44Å; P318-V321 PolarHBondContact O-N 3.44Å; V321-A324 PolarHBondContact O-N 2.92Å; V321-R325 WeakPolarHBondContact O-CB 3.44Å; V321-R325 PolarHBondContact O-N 2.87Å; V321-I495 HydrophobicContact CG1-CG1 4.23Å; V321-I495 HydrophobicContact CG1-CG2 4.2Å; V321-W500 HydrophobicContact CG1-CH2 4.43Å; V321-W500 HydrophobicContact CG2-CZ2 4.34Å
322	D	97.1	Very high	96.4	Very high	75 Å²	75	50.2 Å²	50.2	40%	0.401	28%	0.279	S	S	.	.	H	α-helix	trans	-62.8	-47.3	-179	-63.1	-30.6	0	0	0	111.6	P318 A324 R325 E326	P318-D322 PolarHBondContact O-N 3.34Å; D322-A324 VanDerWaalsContact C-N 3.33Å; D322-A324 PolarHBondContact O-N 3.14Å; D322-R325 WeakPolarHBondContact O-CB 3.39Å; D322-R325 PolarHBondContact O-N 3.32Å; D322-R325 VanDerWaalsContact O-N 3.11Å; D322-R325 IonicContact OD1-CZ 3.11Å; D322-R325 IonicContact OD1-NH1 3.57Å; D322-R325 PolarHBondContact OD1-NH1 2.93Å; D322-E326 WeakPolarHBondContact O-CG 3.41Å; D322-E326 PolarHBondContact O-N 3.23Å
323	K	97.8	Very high	95.9	Very high	84 Å²	84	50.4 Å²	50.4	37%	0.365	28%	0.28	S	S	.	.	H	α-helix	trans	-64.4	-35	175.9	-174.7	169.3	-179.6	175.3	0	113.2	A319 R325 E326 E327 Y389 E451	A319-K323 PolarHBondContact O-N 2.96Å; A319-K323 VanDerWaalsContact O-N 3.15Å; K323-R325 VanDerWaalsContact C-N 3.34Å; K323-E326 PolarHBondContact O-N 3.44Å; K323-E327 PolarHBondContact O-N 3.39Å; K323-E327 VanDerWaalsContact O-N 3.14Å; K323-Y389 HydrophobicContact CB-CD1 4.24Å; K323-Y389 HydrophobicContact CB-CE1 3.62Å; K323-Y389 HydrophobicContact CD-CD1 4.41Å; K323-Y389 HydrophobicContact CD-CD2 4.19Å; K323-Y389 HydrophobicContact CD-CE1 4Å; K323-Y389 HydrophobicContact CD-CE2 3.79Å; K323-Y389 HydrophobicContact CD-CG 4.48Å; K323-Y389 HydrophobicContact CG-CD1 3.87Å; K323-Y389 HydrophobicContact CG-CD2 4.47Å; K323-Y389 HydrophobicContact CG-CE1 3.63Å; K323-Y389 HydrophobicContact CG-CE2 4.29Å; K323-Y389 HydrophobicContact CG-CG 4.27Å; K323-E451 WeakPolarHBondContact CD-OE1 3.35Å; K323-E451 WeakPolarHBondContact CE-OE1 3.02Å; K323-E451 VanDerWaalsContact NZ-CD 3.27Å; K323-E451 IonicContact NZ-OE1 3.02Å; K323-E451 PolarHBondContact NZ-OE1 3.08Å; K323-E451 IonicContact NZ-OE2 3.29Å; K323-E451 PolarHBondContact NZ-OE2 2.9Å
324	A	97.5	Very high	94.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68.6	-34.5	173.7	0	0	0	0	0	112.2	V320 V321 D322 E327 M328 Y389 I390 I495	V320-A324 WeakPolarHBondContact O-CB 3.13Å; V320-A324 PolarHBondContact O-N 3.2Å; V321-A324 PolarHBondContact O-N 2.92Å; D322-A324 VanDerWaalsContact C-N 3.33Å; D322-A324 PolarHBondContact O-N 3.14Å; A324-E327 PolarHBondContact O-N 3.39Å; A324-M328 VanDerWaalsContact O-CG 3.29Å; A324-M328 WeakPolarHBondContact O-CG 3.43Å; A324-M328 PolarHBondContact O-N 2.89Å; A324-Y389 HydrophobicContact CB-CD1 3.96Å; A324-Y389 HydrophobicContact CB-CE1 4.1Å; A324-I390 HydrophobicContact CB-CG1 4.05Å; A324-I495 HydrophobicContact CB-CD1 3.78Å
325	R	95.9	Very high	92.7	Very high	61 Å²	61	52.9 Å²	52.9	23%	0.23	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-44.1	173.5	-169.4	-177.5	-61.2	109.9	0.7	111.4	V321 D322 K323 E327 M328 E329 I495	V321-R325 WeakPolarHBondContact O-CB 3.44Å; V321-R325 PolarHBondContact O-N 2.87Å; D322-R325 WeakPolarHBondContact O-CB 3.39Å; D322-R325 PolarHBondContact O-N 3.32Å; D322-R325 VanDerWaalsContact O-N 3.11Å; D322-R325 IonicContact OD1-CZ 3.11Å; D322-R325 IonicContact OD1-NH1 3.57Å; D322-R325 PolarHBondContact OD1-NH1 2.93Å; K323-R325 VanDerWaalsContact C-N 3.34Å; R325-E327 VanDerWaalsContact C-N 3.32Å; R325-E327 PolarHBondContact O-N 3.47Å; R325-M328 WeakPolarHBondContact O-CB 3.45Å; R325-M328 PolarHBondContact O-N 2.77Å; R325-M328 VanDerWaalsContact O-N 3.11Å; R325-E329 WeakPolarHBondContact O-CG 3.42Å; R325-E329 PolarHBondContact O-N 3.35Å; R325-I495 HydrophobicContact CB-CG2 3.99Å; R325-I495 HydrophobicContact CG-CG2 4.46Å
326	E	96.2	Very high	90.5	Very high	126 Å²	126	58.7 Å²	58.7	59%	0.589	33%	0.327	S	S	*	.	H	α-helix	trans	-57.2	-43.6	174.2	-70	172	-175.7	0	0	111.9	D322 K323 E329 A330	D322-E326 WeakPolarHBondContact O-CG 3.41Å; D322-E326 PolarHBondContact O-N 3.23Å; K323-E326 PolarHBondContact O-N 3.44Å; E326-E329 PolarHBondContact O-N 3.38Å; E326-A330 WeakPolarHBondContact O-CB 3.16Å; E326-A330 PolarHBondContact O-N 3.25Å
327	E	96.8	Very high	88	Confident	32 Å²	32	58.8 Å²	58.8	15%	0.15	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-45.4	173.5	172.2	173	-106.1	0	0	111.9	K323 A324 R325 E329 A330 E331 L387 R388 Y389 I390	K323-E327 PolarHBondContact O-N 3.39Å; K323-E327 VanDerWaalsContact O-N 3.14Å; A324-E327 PolarHBondContact O-N 3.39Å; R325-E327 VanDerWaalsContact C-N 3.32Å; R325-E327 PolarHBondContact O-N 3.47Å; E327-E329 PolarHBondContact O-N 2.85Å; E327-A330 PolarHBondContact O-N 3.32Å; E327-E331 WeakPolarHBondContact O-CG 3.49Å; E327-E331 PolarHBondContact O-N 2.94Å; E327-L387 HydrophobicContact CG-CD2 4Å; E327-L387 WeakPolarHBondContact OE2-CA 3.47Å; E327-R388 WeakPolarHBondContact OE1-CA 3.49Å; E327-R388 PolarHBondContact OE1-N 3.35Å; E327-R388 PolarHBondContact OE2-N 3.09Å; E327-Y389 VanDerWaalsContact CD-N 3.29Å; E327-Y389 WeakPolarHBondContact OE1-CB 3.27Å; E327-Y389 PolarHBondContact OE1-N 3.11Å; E327-Y389 WeakPolarHBondContact OE2-CB 3.47Å; E327-Y389 PolarHBondContact OE2-N 2.79Å; E327-Y389 VanDerWaalsContact OE2-N 3.11Å; E327-I390 PolarHBondContact OE2-N 3.35Å
328	M	95.4	Very high	85.3	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.015	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-42	179.1	-73.7	171.9	52.2	0	0	112.1	A324 R325 E331 G332 L333 L387 I390 V492 I495	A324-M328 VanDerWaalsContact O-CG 3.29Å; A324-M328 WeakPolarHBondContact O-CG 3.43Å; A324-M328 PolarHBondContact O-N 2.89Å; R325-M328 WeakPolarHBondContact O-CB 3.45Å; R325-M328 PolarHBondContact O-N 2.77Å; R325-M328 VanDerWaalsContact O-N 3.11Å; M328-E331 PolarHBondContact O-N 3.11Å; M328-G332 PolarHBondContact O-N 2.85Å; M328-L333 HydrophobicContact CB-CB 4.17Å; M328-L333 WeakPolarHBondContact O-CA 3.37Å; M328-L333 WeakPolarHBondContact O-CB 3.48Å; M328-L333 PolarHBondContact O-N 3.1Å; M328-L387 HydrophobicContact CG-CD2 4.44Å; M328-I390 HydrophobicContact CG-CD1 3.79Å; M328-I390 HydrophobicContact SD-CD1 3.93Å; M328-V492 HydrophobicContact CE-CB 4.5Å; M328-V492 HydrophobicContact CE-CG1 3.89Å; M328-V492 WeakPolarHBondContact CE-O 3.28Å; M328-V492 HydrophobicContact SD-CG1 4.45Å; M328-V492 HydrophobicContact SD-CG2 4.49Å; M328-I495 HydrophobicContact CE-CG2 4.45Å; M328-I495 HydrophobicContact SD-CB 3.95Å; M328-I495 HydrophobicContact SD-CG2 3.76Å
329	E	92.6	Very high	82.4	Confident	105 Å²	105	69.5 Å²	69.5	49%	0.491	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-45.2	176.2	-73.3	173	-168	0	0	111.3	R325 E326 E327 E331 G332	R325-E329 WeakPolarHBondContact O-CG 3.42Å; R325-E329 PolarHBondContact O-N 3.35Å; E326-E329 PolarHBondContact O-N 3.38Å; E327-E329 PolarHBondContact O-N 2.85Å; E329-E331 PolarHBondContact O-N 2.82Å; E329-G332 PolarHBondContact O-N 3.3Å; E329-G332 VanDerWaalsContact O-N 3.1Å
330	A	93.8	Very high	79.3	Confident	88 Å²	88	70.5 Å²	70.5	73%	0.727	38%	0.377	S	S	*	.	H	α-helix	trans	-61	-32.3	176.7	0	0	0	0	0	113	E326 E327 G332	E326-A330 WeakPolarHBondContact O-CB 3.16Å; E326-A330 PolarHBondContact O-N 3.25Å; E327-A330 PolarHBondContact O-N 3.32Å; A330-G332 VanDerWaalsContact C-N 3.35Å
331	E	93.5	Very high	76	Confident	63 Å²	63	75.9 Å²	75.9	29%	0.294	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	5.2	178.5	-72.1	-63.5	155.5	0	0	114.2	E327 M328 E329 K383 Q386 L387	E327-E331 WeakPolarHBondContact O-CG 3.49Å; E327-E331 PolarHBondContact O-N 2.94Å; M328-E331 PolarHBondContact O-N 3.11Å; E329-E331 PolarHBondContact O-N 2.82Å; E331-K383 HydrophobicContact CB-CD 4.4Å; E331-K383 PolarHBondContact O-NZ 2.82Å; E331-K383 IonicContact OE2-NZ 3.8Å; E331-K383 PolarHBondContact OE2-NZ 2.98Å; E331-Q386 PolarHBondContact OE2-OE1 2.96Å; E331-L387 HydrophobicContact CB-CD2 4.07Å; E331-L387 HydrophobicContact CG-CD2 4.06Å
332	G	89.3	Confident	72.6	Confident	47 Å²	47	81.9 Å²	81.9	49%	0.485	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	21.3	177.7	0	0	0	0	0	114.7	M328 E329 A330	M328-G332 PolarHBondContact O-N 2.85Å; E329-G332 PolarHBondContact O-N 3.3Å; E329-G332 VanDerWaalsContact O-N 3.1Å; A330-G332 VanDerWaalsContact C-N 3.35Å
333	L	87.6	Confident	69.8	Low	4 Å²	4	84.4 Å²	84.4	2%	0.021	47%	0.466	C	S	.	.			trans	-101.4	12.1	177	-61.6	-179.6	0	0	0	113.4	M328 V376 P377 L379 K383 L387 V492	M328-L333 HydrophobicContact CB-CB 4.17Å; M328-L333 WeakPolarHBondContact O-CA 3.37Å; M328-L333 WeakPolarHBondContact O-CB 3.48Å; M328-L333 PolarHBondContact O-N 3.1Å; L333-V376 HydrophobicContact CD2-CG1 4.47Å; L333-P377 HydrophobicContact CD2-CG 3.63Å; L333-L379 HydrophobicContact CD1-CD2 3.9Å; L333-L379 HydrophobicContact CD2-CD2 3.79Å; L333-K383 HydrophobicContact CD1-CD 4.11Å; L333-K383 HydrophobicContact CD1-CG 4.02Å; L333-K383 HydrophobicContact CD2-CD 4.26Å; L333-K383 HydrophobicContact CD2-CG 4.04Å; L333-K383 HydrophobicContact CG-CD 4.18Å; L333-K383 HydrophobicContact CG-CG 4.32Å; L333-L387 HydrophobicContact CD1-CD1 3.79Å; L333-L387 HydrophobicContact CD1-CD2 3.93Å; L333-L387 HydrophobicContact CD1-CG 4.31Å; L333-V492 HydrophobicContact CD1-CG1 4.25Å
334	G	70.4	Confident	66.7	Low	23 Å²	23	84.7 Å²	84.7	24%	0.237	48%	0.484	C	S	.	.	S	Bend	trans	-65.1	155.8	170.6	0	0	0	0	0	111.8	Q336	G334-Q336 PolarHBondContact O-N 3.37Å
335	C	59.5	Low	63.7	Low	35 Å²	35	88.9 Å²	88.9	24%	0.236	53%	0.527	C	S	.	.			trans	-60	112.9	173.6	-95.3	0	0	0	0	110.2	P374 G496	C335-P374 HydrophobicContact CB-CB 4.46Å; C335-P374 VanDerWaalsContact SG-CA 3.53Å; C335-P374 WeakPolarHBondContact SG-CB 3.28Å; C335-G496 PolarHBondContact SG-O 3.49Å
336	Q	49.6	Very low	60.4	Low	144 Å²	144	89.8 Å²	89.8	67%	0.673	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-88.7	133.3	166.2	-62.2	-147.6	1.8	0	0	108.8	G334 E338	G334-Q336 PolarHBondContact O-N 3.37Å; Q336-E338 PolarHBondContact O-N 3.26Å
337	P	45.1	Very low	57.2	Low	103 Å²	103	92.8 Å²	92.8	67%	0.669	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-61.1	124.7	163.7	24.5	-28.8	0	0	0	107.3	R339	P337-R339 PolarHBondContact O-N 3.25Å
338	E	42.7	Very low	54.1	Low	136 Å²	136	98 Å²	98	64%	0.636	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-49.9	116.6	170.7	-77.4	-176.9	160.8	0	0	107.6	Q336 S340 P372	Q336-E338 PolarHBondContact O-N 3.26Å; E338-S340 PolarHBondContact O-N 2.87Å; E338-P372 HydrophobicContact CB-CB 4.36Å
339	R	35.3	Very low	50.9	Low	230 Å²	230	107.5 Å²	107.5	87%	0.868	64%	0.642	S	S	*	*			trans	-60.1	113.8	171.9	-79.5	-178.6	176.4	177.3	-0.9	106.4	P337 C341	P337-R339 PolarHBondContact O-N 3.25Å; R339-C341 PolarHBondContact O-N 3.49Å; R339-C341 VanDerWaalsContact O-N 3.1Å
340	S	31.9	Very low	47.9	Very low	96 Å²	96	109.5 Å²	109.5	67%	0.671	66%	0.656	S	S	*	*			trans	-51.5	118.2	164.7	50.4	0	0	0	0	107.8	E338 D342	E338-S340 PolarHBondContact O-N 2.87Å; S340-D342 PolarHBondContact O-N 3.39Å
341	C	29.4	Very low	44.7	Very low	127 Å²	127	114 Å²	114	86%	0.858	66%	0.662	S	S	*	*			trans	-60.4	101.4	169.4	-67	0	0	0	0	108.2	R339	R339-C341 PolarHBondContact O-N 3.49Å; R339-C341 VanDerWaalsContact O-N 3.1Å
342	D	28.1	Very low	41.6	Very low	137 Å²	137	117 Å²	117	73%	0.733	69%	0.687	S	S	*	*			trans	-70.3	128.1	165.8	-91	-32.1	0	0	0	108.7	S340 A344	S340-D342 PolarHBondContact O-N 3.39Å; D342-A344 VanDerWaalsContact C-N 3.34Å; D342-A344 PolarHBondContact O-N 3.1Å
343	P	37.1	Very low	38.8	Very low	128 Å²	128	124.3 Å²	124.3	83%	0.831	71%	0.708	S	S	*	*			trans	-83.5	80	174	33.1	-30.1	0	0	0	109
344	A	34	Very low	36.2	Very low	91 Å²	91	128.5 Å²	128.5	75%	0.752	74%	0.744	S	S	*	*			trans	-156.3	92.8	169	0	0	0	0	0	113.8	D342	D342-A344 VanDerWaalsContact C-N 3.34Å; D342-A344 PolarHBondContact O-N 3.1Å
345	G	33.4	Very low	34.4	Very low	88 Å²	88	131.9 Å²	131.9	91%	0.907	77%	0.77	S	S	*	*			trans	67.9	107	138.8	0	0	0	0	0	119.5
346	G	27.2	Very low	33.2	Very low	80 Å²	80	137 Å²	137	83%	0.825	79%	0.79	S	S	*	*			trans	165.2	123.5	158.8	0	0	0	0	0	112.5
347	E	29.1	Very low	32.7	Very low	189 Å²	189	133.8 Å²	133.8	88%	0.883	78%	0.78	S	S	*	*			trans	-68.5	136.2	-170.3	-64.3	168.9	146.4	0	0	114.7
348	L	30.3	Very low	32.1	Very low	142 Å²	142	136.6 Å²	136.6	74%	0.743	78%	0.784	S	S	*	*			trans	31.5	121.3	145.6	-74.6	142.8	0	0	0	121
349	E	28.5	Very low	31.8	Very low	201 Å²	201	133 Å²	133	94%	0.939	77%	0.772	S	S	*	*				-148.7	133.4	122.5	-107.1	174.8	-165.6	0	0	109.8
350	N	29.6	Very low	31.8	Very low	148 Å²	148	124.6 Å²	124.6	79%	0.791	75%	0.746	S	S	*	*			trans	-76.4	121.8	-164.4	-70.5	-46.2	0	0	0	113.9
351	E	27	Very low	31.8	Very low	183 Å²	183	128.2 Å²	128.2	86%	0.855	75%	0.745	S	S	*	*			trans	-110.7	147.5	152.1	-79.3	-155.9	154.5	0	0	109.8	E353	E351-E353 PolarHBondContact O-N 3.41Å
352	P	29.3	Very low	32.1	Very low	126 Å²	126	128.8 Å²	128.8	82%	0.818	74%	0.739	S	S	*	*			trans	-71.4	118.2	-177.8	28.2	-30.5	0	0	0	110.4	A354	P352-A354 PolarHBondContact O-N 2.89Å
353	E	29.1	Very low	32.7	Very low	199 Å²	199	125.8 Å²	125.8	93%	0.93	72%	0.722	S	S	*	*			trans	-51.9	102.9	169.7	-103.5	176.6	156.2	0	0	110.3	E351 A355	E351-E353 PolarHBondContact O-N 3.41Å; E353-A355 PolarHBondContact O-N 3.2Å
354	A	33	Very low	32.6	Very low	92 Å²	92	124.1 Å²	124.1	76%	0.76	71%	0.714	S	S	*	*			trans	-69	120	164.5	0	0	0	0	0	107.9	P352 E356	P352-A354 PolarHBondContact O-N 2.89Å; A354-E356 PolarHBondContact O-N 2.77Å
355	A	34.1	Very low	32.4	Very low	95 Å²	95	122.8 Å²	122.8	79%	0.785	71%	0.709	S	S	*	*			trans	-52.2	113.5	-178.4	0	0	0	0	0	111.5	E353 T357	E353-A355 PolarHBondContact O-N 3.2Å; A355-T357 PolarHBondContact O-N 3.44Å; A355-T357 VanDerWaalsContact O-N 3.08Å
356	E	32.9	Very low	32.4	Very low	143 Å²	143	120.6 Å²	120.6	67%	0.668	69%	0.687	S	S	*	*			trans	-57.9	112.5	170	-72.9	-176.5	155	0	0	109.7	A354	A354-E356 PolarHBondContact O-N 2.77Å
357	T	40.4	Very low	32.7	Very low	76 Å²	76	123.5 Å²	123.5	47%	0.466	69%	0.691	S	S	.	*			trans	-69.3	150.6	173.7	22.8	0	0	0	0	110.7	A355 T359 T360	A355-T357 PolarHBondContact O-N 3.44Å; A355-T357 VanDerWaalsContact O-N 3.08Å; T357-T359 PolarHBondContact O-N 3.43Å; T357-T360 WeakPolarHBondContact O-CB 3.38Å; T357-T360 PolarHBondContact O-N 2.99Å; T357-T360 PolarHBondContact O-OG1 3.34Å
358	E	31.4	Very low	33	Very low	161 Å²	161	121.7 Å²	121.7	75%	0.752	69%	0.687	S	S	*	*	H	α-helix	trans	-53.8	-16.7	178.8	-158.2	170.3	-165.6	0	0	114.1	R361 L362	E358-R361 PolarHBondContact O-N 3.23Å; E358-L362 PolarHBondContact O-N 3.47Å
359	T	35.9	Very low	33.4	Very low	61 Å²	61	119.6 Å²	119.6	37%	0.374	70%	0.7	S	S	.	*	H	α-helix	trans	-70.2	-35.2	173.7	-52.6	0	0	0	0	112.3	T357 R361 L362 L363	T357-T359 PolarHBondContact O-N 3.43Å; T359-R361 VanDerWaalsContact C-N 3.31Å; T359-R361 PolarHBondContact O-N 2.96Å; T359-L362 PolarHBondContact O-N 3.05Å; T359-L363 PolarHBondContact O-N 2.85Å
360	T	36.1	Very low	33.7	Very low	53 Å²	53	113.1 Å²	113.1	33%	0.325	69%	0.687	S	S	.	*	H	α-helix	trans	-64.4	-38.2	175.5	-43.7	0	0	0	0	110.7	T357 L362 L363 S364	T357-T360 WeakPolarHBondContact O-CB 3.38Å; T357-T360 PolarHBondContact O-N 2.99Å; T357-T360 PolarHBondContact O-OG1 3.34Å; T360-L362 PolarHBondContact O-N 3.01Å; T360-L363 PolarHBondContact O-N 3.03Å; T360-S364 PolarHBondContact O-N 3.41Å; T360-S364 PolarHBondContact O-OG 3.09Å; T360-S364 VanDerWaalsContact O-OG 3.14Å
361	R	31.6	Very low	34.3	Very low	173 Å²	173	111 Å²	111	65%	0.653	68%	0.684	S	S	*	*	H	α-helix	trans	-67.9	-31.2	176.8	-70.1	-175.2	-178.2	168.7	1.7	114	E358 T359 L363 S364 G365	E358-R361 PolarHBondContact O-N 3.23Å; T359-R361 VanDerWaalsContact C-N 3.31Å; T359-R361 PolarHBondContact O-N 2.96Å; R361-L363 VanDerWaalsContact C-N 3.34Å; R361-S364 WeakPolarHBondContact CA-OG 3.36Å; R361-S364 PolarHBondContact O-OG 3.16Å; R361-G365 PolarHBondContact O-N 3.34Å
362	L	36.2	Very low	35.6	Very low	138 Å²	138	105.9 Å²	105.9	72%	0.723	67%	0.666	S	S	*	*	H	α-helix	trans	-74.5	-25.4	175.9	-88.2	156.8	0	0	0	112.6	E358 T359 T360	E358-L362 PolarHBondContact O-N 3.47Å; T359-L362 PolarHBondContact O-N 3.05Å; T360-L362 PolarHBondContact O-N 3.01Å
363	L	41.1	Very low	37.2	Very low	74 Å²	74	105.5 Å²	105.5	39%	0.387	65%	0.649	S	S	.	*	H	α-helix	trans	-80.7	-25.5	175.9	-69.4	170.2	0	0	0	112.8	T359 T360 R361 R373	T359-L363 PolarHBondContact O-N 2.85Å; T360-L363 PolarHBondContact O-N 3.03Å; R361-L363 VanDerWaalsContact C-N 3.34Å; L363-R373 PolarHBondContact O-NH1 3.37Å
364	S	34.6	Very low	39.2	Very low	94 Å²	94	97.4 Å²	97.4	66%	0.657	61%	0.614	S	S	*	*	S	Bend	trans	-95.3	-3.5	-177.1	57.6	0	0	0	0	115.2	T360 R361	T360-S364 PolarHBondContact O-N 3.41Å; T360-S364 PolarHBondContact O-OG 3.09Å; T360-S364 VanDerWaalsContact O-OG 3.14Å; R361-S364 WeakPolarHBondContact CA-OG 3.36Å; R361-S364 PolarHBondContact O-OG 3.16Å
365	G	30.5	Very low	41.5	Very low	62 Å²	62	96.7 Å²	96.7	64%	0.639	59%	0.594	S	S	*	*			trans	-119.5	63.9	-172.3	0	0	0	0	0	115.1	R361	R361-G365 PolarHBondContact O-N 3.34Å
366	G	31.7	Very low	44.1	Very low	43 Å²	43	92.1 Å²	92.1	44%	0.443	56%	0.557	S	S	.	*			trans	-94.5	149.3	163.2	0	0	0	0	0	111.1	D368	G366-D368 PolarHBondContact O-N 3.19Å; G366-D368 VanDerWaalsContact O-N 3.15Å
367	P	33.3	Very low	46.9	Very low	141 Å²	141	87.8 Å²	87.8	92%	0.916	54%	0.541	S	S	*	.	S	Bend	trans	-72.6	-1.2	-174.1	28.2	-33.4	0	0	0	115.5
368	D	35.9	Very low	49.5	Very low	150 Å²	150	89.7 Å²	89.7	80%	0.802	54%	0.54	S	S	*	.	S	Bend	trans	-112.8	122.4	175.1	-81.4	-30.3	0	0	0	109.7	G366 G370	G366-D368 PolarHBondContact O-N 3.19Å; G366-D368 VanDerWaalsContact O-N 3.15Å; D368-G370 PolarHBondContact O-N 3.2Å
369	G	39	Very low	52.6	Low	99 Å²	99	82.4 Å²	82.4	100%	1.021	51%	0.506	S	S	*	.			trans	-65.5	76	174	0	0	0	0	0	112.5
370	G	35.3	Very low	55.5	Low	64 Å²	64	81.5 Å²	81.5	66%	0.66	50%	0.503	S	S	*	.			trans	-103.1	154.8	179.9	0	0	0	0	0	113.2	D368	D368-G370 PolarHBondContact O-N 3.2Å
371	S	42.7	Very low	58.4	Low	103 Å²	103	79.8 Å²	79.8	72%	0.72	49%	0.491	S	S	*	.			trans	-35.2	150.4	175.5	47.7	0	0	0	0	116.2	R373	S371-R373 PolarHBondContact O-N 3.31Å
372	P	53.8	Low	61.4	Low	76 Å²	76	77.2 Å²	77.2	49%	0.494	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-51.9	130.4	177	-20.7	30.1	0	0	0	110.9	E338	E338-P372 HydrophobicContact CB-CB 4.36Å
373	R	63.4	Low	64.2	Low	119 Å²	119	73.1 Å²	73.1	45%	0.449	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-71.3	136.9	175.8	-71.2	-177.1	-177.5	168.7	3.5	108.9	L363 S371 H375	L363-R373 PolarHBondContact O-NH1 3.37Å; S371-R373 PolarHBondContact O-N 3.31Å; R373-H375 PolarHBondContact O-N 2.84Å
374	P	70.1	Confident	66.9	Low	29 Å²	29	69.9 Å²	69.9	19%	0.188	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-58.4	129.8	172.8	21.8	-30.3	0	0	0	110.1	C335 Y528	C335-P374 HydrophobicContact CB-CB 4.46Å; C335-P374 VanDerWaalsContact SG-CA 3.53Å; C335-P374 WeakPolarHBondContact SG-CB 3.28Å; P374-Y528 HydrophobicContact CG-CD1 3.86Å; P374-Y528 HydrophobicContact CG-CG 4.27Å
375	H	81.2	Confident	69.8	Low	76 Å²	76	69 Å²	69	35%	0.352	44%	0.44	S	S	.	.			trans	-137.6	134.8	-176.3	172.5	-95.4	0	0	0	111.5	K167 R373	K167-H375 PolarHBondContact NZ-CD2 3.03Å; K167-H375 PolarHBondContact NZ-NE2 2.7Å; R373-H375 PolarHBondContact O-N 2.84Å
376	V	89.8	Confident	72.9	Confident	0 Å²	0	69 Å²	69	0%	0	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-91	129.9	168.8	177.3	0	0	0	0	108.9	K167 L333 L379 V492 T497	K167-V376 WeakPolarHBondContact CE-O 3.29Å; K167-V376 PolarHBondContact NZ-O 3.06Å; L333-V376 HydrophobicContact CD2-CG1 4.47Å; V376-L379 HydrophobicContact CG1-CD2 4.23Å; V376-V492 HydrophobicContact CG1-CG1 3.58Å; V376-V492 HydrophobicContact CG2-CG1 4.32Å; V376-T497 HydrophobicContact CG2-CG2 4Å
377	P	91.9	Very high	76	Confident	52 Å²	52	67 Å²	67	34%	0.338	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-59	161.6	178	27.3	-35.6	0	0	0	112.3	Q163 L333 L379	Q163-P377 PolarHBondContact NE2-O 2.97Å; L333-P377 HydrophobicContact CD2-CG 3.63Å; P377-L379 PolarHBondContact O-N 3.33Å
378	Y	94.3	Very high	79	Confident	115 Å²	115	69.1 Å²	69.1	45%	0.451	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-59	130.8	176.2	-78.9	-73.2	0	0	0	111.1	P160 Q163 D164	P160-Y378 HydrophobicContact CB-CD1 4.34Å; P160-Y378 HydrophobicContact CB-CE1 4.5Å; Q163-Y378 VanDerWaalsContact OE1-CA 3.32Å; D164-Y378 VanDerWaalsContact OD1-CE1 3.28Å; D164-Y378 WeakPolarHBondContact OD1-CE1 3.17Å; D164-Y378 PolarHBondContact OD1-OH 3.19Å
379	L	96.2	Very high	82	Confident	8 Å²	8	63 Å²	63	4%	0.042	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-87.3	144.6	-177.4	-59.4	174.1	0	0	0	110	L159 L333 V376 P377 K383 L384 T489 V492	L159-L379 HydrophobicContact CD1-CB 4.45Å; L159-L379 HydrophobicContact CD2-CB 4.13Å; L159-L379 WeakPolarHBondContact CD2-O 3.16Å; L159-L379 HydrophobicContact CG-CB 4.46Å; L159-L379 WeakPolarHBondContact CG-O 3.18Å; L333-L379 HydrophobicContact CD1-CD2 3.9Å; L333-L379 HydrophobicContact CD2-CD2 3.79Å; V376-L379 HydrophobicContact CG1-CD2 4.23Å; P377-L379 PolarHBondContact O-N 3.33Å; L379-K383 HydrophobicContact CD2-CG 4.33Å; L379-L384 HydrophobicContact CB-CG 4.38Å; L379-L384 HydrophobicContact CD1-CD2 3.87Å; L379-L384 HydrophobicContact CD1-CG 4.5Å; L379-T489 HydrophobicContact CD1-CG2 3.97Å; L379-V492 HydrophobicContact CD1-CB 4.37Å; L379-V492 HydrophobicContact CD1-CG1 4.16Å; L379-V492 HydrophobicContact CD2-CG1 4.32Å
380	S	96.6	Very high	84.9	Confident	42 Å²	42	58.4 Å²	58.4	29%	0.294	31%	0.31	S	S	.	.			trans	-108.4	163.1	165.2	67.6	0	0	0	0	110.3	L159 E382 K383 L384	L159-S380 VanDerWaalsContact CD2-C 3.41Å; S380-E382 PolarHBondContact O-N 2.99Å; S380-K383 PolarHBondContact O-N 2.76Å; S380-K383 PolarHBondContact OG-N 3.39Å; S380-L384 PolarHBondContact O-N 3.44Å
381	L	96.6	Very high	87.8	Confident	17 Å²	17	57.2 Å²	57.2	9%	0.089	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-30.3	173.8	-63.6	-174.1	0	0	0	111.7	R152 L155 E156 L159 S385 I485	R152-L381 HydrophobicContact CG-CD1 4.01Å; L155-L381 HydrophobicContact CB-CD1 4.1Å; E156-L381 HydrophobicContact CB-CD1 3.97Å; E156-L381 HydrophobicContact CB-CG 4.31Å; E156-L381 HydrophobicContact CG-CG 4.49Å; E156-L381 PolarHBondContact OE1-N 3.33Å; E156-L381 VanDerWaalsContact OE2-CB 3.27Å; E156-L381 WeakPolarHBondContact OE2-CB 3.13Å; E156-L381 VanDerWaalsContact OE2-CD1 3.25Å; E156-L381 WeakPolarHBondContact OE2-CD1 3.26Å; E156-L381 VanDerWaalsContact OE2-CG 3.26Å; E156-L381 WeakPolarHBondContact OE2-CG 3.31Å; L159-L381 HydrophobicContact CD2-CD2 4.02Å; L159-L381 HydrophobicContact CD2-CG 4.49Å; L381-S385 WeakPolarHBondContact O-CB 3.42Å; L381-S385 PolarHBondContact O-N 2.94Å; L381-I485 HydrophobicContact CD2-CD1 3.45Å; L381-I485 VanDerWaalsContact CD2-CD1 3.45Å; L381-I485 HydrophobicContact CD2-CG1 3.89Å
382	E	95.8	Very high	90.5	Very high	120 Å²	120	52.7 Å²	52.7	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-63.1	-51.7	173.6	-177.3	174.5	-172.9	0	0	111.1	S380 L384 S385 Q386	S380-E382 PolarHBondContact O-N 2.99Å; E382-L384 VanDerWaalsContact C-N 3.35Å; E382-L384 PolarHBondContact O-N 3.25Å; E382-S385 WeakPolarHBondContact O-CA 3.44Å; E382-S385 WeakPolarHBondContact O-CB 3.48Å; E382-S385 PolarHBondContact O-N 3.44Å; E382-S385 PolarHBondContact O-OG 3.22Å; E382-Q386 PolarHBondContact O-N 2.85Å
383	K	95.3	Very high	92.6	Very high	51 Å²	51	49.3 Å²	49.3	22%	0.222	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-43.1	178.7	-177.3	54.7	59.4	178.1	0	111.5	E331 L333 L379 S380 S385 Q386	E331-K383 HydrophobicContact CB-CD 4.4Å; E331-K383 PolarHBondContact O-NZ 2.82Å; E331-K383 IonicContact OE2-NZ 3.8Å; E331-K383 PolarHBondContact OE2-NZ 2.98Å; L333-K383 HydrophobicContact CD1-CD 4.11Å; L333-K383 HydrophobicContact CD1-CG 4.02Å; L333-K383 HydrophobicContact CD2-CD 4.26Å; L333-K383 HydrophobicContact CD2-CG 4.04Å; L333-K383 HydrophobicContact CG-CD 4.18Å; L333-K383 HydrophobicContact CG-CG 4.32Å; L379-K383 HydrophobicContact CD2-CG 4.33Å; S380-K383 PolarHBondContact O-N 2.76Å; S380-K383 PolarHBondContact OG-N 3.39Å; K383-S385 PolarHBondContact O-N 2.89Å; K383-Q386 WeakPolarHBondContact O-CB 3.36Å; K383-Q386 PolarHBondContact O-N 3Å; K383-Q386 VanDerWaalsContact O-N 3.11Å
384	L	96.6	Very high	94.3	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-58	-37.7	172.7	-76.5	-179.1	0	0	0	112	L159 L379 S380 E382 Q386 L387 I485 K488	L159-L384 HydrophobicContact CD1-CD1 4.02Å; L159-L384 HydrophobicContact CD2-CD1 3.87Å; L379-L384 HydrophobicContact CB-CG 4.38Å; L379-L384 HydrophobicContact CD1-CD2 3.87Å; L379-L384 HydrophobicContact CD1-CG 4.5Å; S380-L384 PolarHBondContact O-N 3.44Å; E382-L384 VanDerWaalsContact C-N 3.35Å; E382-L384 PolarHBondContact O-N 3.25Å; L384-Q386 VanDerWaalsContact C-N 3.26Å; L384-Q386 PolarHBondContact O-N 2.95Å; L384-L387 HydrophobicContact CD2-CD1 4.23Å; L384-L387 PolarHBondContact O-N 2.83Å; L384-I485 HydrophobicContact CD1-CG1 4.33Å; L384-I485 HydrophobicContact CD1-CG2 4.03Å; L384-K488 HydrophobicContact CD2-CB 3.98Å; L384-K488 VanDerWaalsContact O-CE 3.24Å; L384-K488 WeakPolarHBondContact O-CE 3.39Å; L384-K488 PolarHBondContact O-NZ 3.36Å
385	S	95.1	Very high	95.7	Very high	77 Å²	77	44 Å²	44	54%	0.538	21%	0.212	S	C	.	.	H	α-helix	trans	-69	-22.1	179.3	78.8	0	0	0	0	114.2	L381 E382 K383	L381-S385 WeakPolarHBondContact O-CB 3.42Å; L381-S385 PolarHBondContact O-N 2.94Å; E382-S385 WeakPolarHBondContact O-CA 3.44Å; E382-S385 WeakPolarHBondContact O-CB 3.48Å; E382-S385 PolarHBondContact O-N 3.44Å; E382-S385 PolarHBondContact O-OG 3.22Å; K383-S385 PolarHBondContact O-N 2.89Å
386	Q	96.3	Very high	96.5	Very high	62 Å²	62	40.4 Å²	40.4	29%	0.29	20%	0.196	S	C	.	.	H	α-helix	trans	-77.3	-25.2	177.2	-68.4	166.6	-16.3	0	0	112.5	E331 E382 K383 L384 R388	E331-Q386 PolarHBondContact OE2-OE1 2.96Å; E382-Q386 PolarHBondContact O-N 2.85Å; K383-Q386 WeakPolarHBondContact O-CB 3.36Å; K383-Q386 PolarHBondContact O-N 3Å; K383-Q386 VanDerWaalsContact O-N 3.11Å; L384-Q386 VanDerWaalsContact C-N 3.26Å; L384-Q386 PolarHBondContact O-N 2.95Å; Q386-R388 PolarHBondContact O-N 3.48Å
387	L	97.4	Very high	96.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.			trans	-76	82.4	176.6	-55.2	170.4	0	0	0	111	E327 M328 E331 L333 L384 I390 D391 K488 V492	E327-L387 HydrophobicContact CG-CD2 4Å; E327-L387 WeakPolarHBondContact OE2-CA 3.47Å; M328-L387 HydrophobicContact CG-CD2 4.44Å; E331-L387 HydrophobicContact CB-CD2 4.07Å; E331-L387 HydrophobicContact CG-CD2 4.06Å; L333-L387 HydrophobicContact CD1-CD1 3.79Å; L333-L387 HydrophobicContact CD1-CD2 3.93Å; L333-L387 HydrophobicContact CD1-CG 4.31Å; L384-L387 HydrophobicContact CD2-CD1 4.23Å; L384-L387 PolarHBondContact O-N 2.83Å; L387-I390 HydrophobicContact CB-CB 4.1Å; L387-I390 HydrophobicContact CB-CD1 4.31Å; L387-I390 HydrophobicContact CD1-CD1 4.1Å; L387-I390 HydrophobicContact CD2-CD1 4.45Å; L387-D391 WeakPolarHBondContact O-CB 3.38Å; L387-D391 PolarHBondContact O-N 2.71Å; L387-K488 PolarHBondContact O-NZ 3.08Å; L387-V492 HydrophobicContact CD1-CG2 3.51Å
388	R	96.6	Very high	97.2	Very high	186 Å²	186	38.1 Å²	38.1	70%	0.702	18%	0.181	S	C	*	.	H	α-helix	trans	-76.2	-40.7	-173.4	-68.7	179.5	-177.1	179.9	3.2	112.2	E327 Q386 D391 C392	E327-R388 WeakPolarHBondContact OE1-CA 3.49Å; E327-R388 PolarHBondContact OE1-N 3.35Å; E327-R388 PolarHBondContact OE2-N 3.09Å; Q386-R388 PolarHBondContact O-N 3.48Å; R388-D391 WeakPolarHBondContact O-CB 3.43Å; R388-D391 PolarHBondContact O-N 3.15Å; R388-C392 PolarHBondContact O-N 2.83Å; R388-C392 PolarHBondContact O-SG 2.88Å
389	Y	98.4	Very high	97.4	Very high	22 Å²	22	32.8 Å²	32.8	9%	0.086	16%	0.16	C	C	.	.	H	α-helix	trans	-71.9	-41.9	178.8	-174.9	-110.6	0	0	0	110.9	V320 K323 A324 E327 D391 C392 V393 P450 E451	V320-Y389 HydrophobicContact CG1-CE1 4.21Å; V320-Y389 WeakPolarHBondContact O-CE1 3.41Å; K323-Y389 HydrophobicContact CB-CD1 4.24Å; K323-Y389 HydrophobicContact CB-CE1 3.62Å; K323-Y389 HydrophobicContact CD-CD1 4.41Å; K323-Y389 HydrophobicContact CD-CD2 4.19Å; K323-Y389 HydrophobicContact CD-CE1 4Å; K323-Y389 HydrophobicContact CD-CE2 3.79Å; K323-Y389 HydrophobicContact CD-CG 4.48Å; K323-Y389 HydrophobicContact CG-CD1 3.87Å; K323-Y389 HydrophobicContact CG-CD2 4.47Å; K323-Y389 HydrophobicContact CG-CE1 3.63Å; K323-Y389 HydrophobicContact CG-CE2 4.29Å; K323-Y389 HydrophobicContact CG-CG 4.27Å; A324-Y389 HydrophobicContact CB-CD1 3.96Å; A324-Y389 HydrophobicContact CB-CE1 4.1Å; E327-Y389 VanDerWaalsContact CD-N 3.29Å; E327-Y389 WeakPolarHBondContact OE1-CB 3.27Å; E327-Y389 PolarHBondContact OE1-N 3.11Å; E327-Y389 WeakPolarHBondContact OE2-CB 3.47Å; E327-Y389 PolarHBondContact OE2-N 2.79Å; E327-Y389 VanDerWaalsContact OE2-N 3.11Å; Y389-D391 PolarHBondContact O-N 3.47Å; Y389-C392 CarbonylContact O-C 3.56Å; Y389-C392 WeakPolarHBondContact O-CA 3.42Å; Y389-C392 VanDerWaalsContact O-CB 3.26Å; Y389-C392 WeakPolarHBondContact O-CB 3.25Å; Y389-C392 PolarHBondContact O-N 2.79Å; Y389-V393 HydrophobicContact CD1-CG2 4.27Å; Y389-V393 HydrophobicContact CE1-CG2 3.95Å; Y389-V393 WeakPolarHBondContact O-CG2 3.41Å; Y389-V393 PolarHBondContact O-N 3.48Å; Y389-P450 HydrophobicContact CE2-CB 3.97Å; Y389-E451 WeakPolarHBondContact CE2-OE1 3.36Å
390	I	98.4	Very high	97.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-37.1	170.8	-68.7	175.2	0	0	0	111.3	A324 E327 M328 L387 C392 V393 V394 K488 A491 V492	A324-I390 HydrophobicContact CB-CG1 4.05Å; E327-I390 PolarHBondContact OE2-N 3.35Å; M328-I390 HydrophobicContact CG-CD1 3.79Å; M328-I390 HydrophobicContact SD-CD1 3.93Å; L387-I390 HydrophobicContact CB-CB 4.1Å; L387-I390 HydrophobicContact CB-CD1 4.31Å; L387-I390 HydrophobicContact CD1-CD1 4.1Å; L387-I390 HydrophobicContact CD2-CD1 4.45Å; I390-C392 VanDerWaalsContact C-N 3.33Å; I390-C392 PolarHBondContact O-N 2.77Å; I390-V393 PolarHBondContact O-N 3.43Å; I390-V394 WeakPolarHBondContact O-CG2 3.24Å; I390-V394 PolarHBondContact O-N 2.71Å; I390-K488 HydrophobicContact CG2-CB 4.25Å; I390-K488 HydrophobicContact CG2-CG 4.08Å; I390-A491 HydrophobicContact CG2-CB 4.12Å; I390-V492 HydrophobicContact CD1-CG2 3.74Å
391	D	98.1	Very high	97.4	Very high	39 Å²	39	33.4 Å²	33.4	21%	0.209	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-41.2	171.9	-173.1	68.7	0	0	0	112.3	L387 R388 Y389 V394 K395 K488	L387-D391 WeakPolarHBondContact O-CB 3.38Å; L387-D391 PolarHBondContact O-N 2.71Å; R388-D391 WeakPolarHBondContact O-CB 3.43Å; R388-D391 PolarHBondContact O-N 3.15Å; Y389-D391 PolarHBondContact O-N 3.47Å; D391-V394 PolarHBondContact O-N 3.29Å; D391-K395 WeakPolarHBondContact O-CB 3.33Å; D391-K395 VanDerWaalsContact O-CG 3.31Å; D391-K395 WeakPolarHBondContact O-CG 3.43Å; D391-K395 PolarHBondContact O-N 2.8Å; D391-K395 WeakPolarHBondContact OD2-CE 3.11Å; D391-K395 IonicContact OD2-NZ 2.78Å; D391-K395 PolarHBondContact OD2-NZ 3.39Å; D391-K488 IonicContact OD1-NZ 2.7Å
392	C	98.6	Very high	97.4	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.061	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-42.8	174.4	-64.5	0	0	0	0	112.1	R388 Y389 I390 K395 E396 P450 F453	R388-C392 PolarHBondContact O-N 2.83Å; R388-C392 PolarHBondContact O-SG 2.88Å; Y389-C392 CarbonylContact O-C 3.56Å; Y389-C392 WeakPolarHBondContact O-CA 3.42Å; Y389-C392 VanDerWaalsContact O-CB 3.26Å; Y389-C392 WeakPolarHBondContact O-CB 3.25Å; Y389-C392 PolarHBondContact O-N 2.79Å; I390-C392 VanDerWaalsContact C-N 3.33Å; I390-C392 PolarHBondContact O-N 2.77Å; C392-K395 PolarHBondContact O-N 3.4Å; C392-E396 WeakPolarHBondContact O-CB 3.42Å; C392-E396 PolarHBondContact O-N 3.24Å; C392-P450 HydrophobicContact CB-CB 4.24Å; C392-P450 WeakPolarHBondContact CB-O 3.48Å; C392-F453 HydrophobicContact CB-CB 4.02Å
393	V	98.8	Very high	97.4	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.03	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-49.8	175.9	174.1	0	0	0	0	110.7	L310 L314 V320 Y389 I390 K395 E396 V397 F448 P450	L310-V393 HydrophobicContact CD1-CG1 4.08Å; L314-V393 HydrophobicContact CD2-CG1 4.03Å; V320-V393 HydrophobicContact CG1-CG1 4.28Å; V320-V393 HydrophobicContact CG1-CG2 3.49Å; V320-V393 VanDerWaalsContact CG1-CG2 3.49Å; Y389-V393 HydrophobicContact CD1-CG2 4.27Å; Y389-V393 HydrophobicContact CE1-CG2 3.95Å; Y389-V393 WeakPolarHBondContact O-CG2 3.41Å; Y389-V393 PolarHBondContact O-N 3.48Å; I390-V393 PolarHBondContact O-N 3.43Å; V393-K395 VanDerWaalsContact C-N 3.32Å; V393-K395 PolarHBondContact O-N 3.47Å; V393-E396 PolarHBondContact O-N 3.42Å; V393-V397 HydrophobicContact CG1-CG2 4.49Å; V393-V397 WeakPolarHBondContact O-CG2 3.45Å; V393-V397 PolarHBondContact O-N 2.83Å; V393-F448 HydrophobicContact CG1-CZ 4.43Å; V393-P450 HydrophobicContact CG2-CB 3.92Å; V393-P450 HydrophobicContact CG2-CG 3.88Å
394	V	98.8	Very high	97.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-41.7	179	170.1	0	0	0	0	111.1	I390 D391 E396 V397 L398 L487 K488	I390-V394 WeakPolarHBondContact O-CG2 3.24Å; I390-V394 PolarHBondContact O-N 2.71Å; D391-V394 PolarHBondContact O-N 3.29Å; V394-E396 VanDerWaalsContact C-N 3.34Å; V394-E396 PolarHBondContact O-N 3.46Å; V394-V397 PolarHBondContact O-N 2.83Å; V394-L398 HydrophobicContact CG1-CD1 4.1Å; V394-L398 WeakPolarHBondContact O-CG 3.37Å; V394-L398 PolarHBondContact O-N 2.97Å; V394-L487 HydrophobicContact CG1-CB 3.96Å; V394-L487 HydrophobicContact CG1-CD1 3.84Å; V394-L487 HydrophobicContact CG2-CB 3.98Å; V394-K488 HydrophobicContact CG2-CG 3.89Å
395	K	98.4	Very high	97	Very high	35 Å²	35	27.8 Å²	27.8	15%	0.152	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-42	175.4	-76.7	168.8	174	163.8	0	112.3	D391 C392 V393 L398 R399 F453 Y467	D391-K395 WeakPolarHBondContact O-CB 3.33Å; D391-K395 VanDerWaalsContact O-CG 3.31Å; D391-K395 WeakPolarHBondContact O-CG 3.43Å; D391-K395 PolarHBondContact O-N 2.8Å; D391-K395 WeakPolarHBondContact OD2-CE 3.11Å; D391-K395 IonicContact OD2-NZ 2.78Å; D391-K395 PolarHBondContact OD2-NZ 3.39Å; C392-K395 PolarHBondContact O-N 3.4Å; V393-K395 VanDerWaalsContact C-N 3.32Å; V393-K395 PolarHBondContact O-N 3.47Å; K395-L398 PolarHBondContact O-N 3.25Å; K395-R399 WeakPolarHBondContact O-CB 3.24Å; K395-R399 PolarHBondContact O-N 3.49Å; K395-F453 HydrophobicContact CB-CB 4.33Å; K395-F453 HydrophobicContact CB-CD1 3.83Å; K395-F453 HydrophobicContact CB-CD2 3.67Å; K395-F453 HydrophobicContact CB-CE1 3.99Å; K395-F453 HydrophobicContact CB-CE2 3.85Å; K395-F453 HydrophobicContact CB-CG 3.67Å; K395-F453 HydrophobicContact CB-CZ 4.01Å; K395-F453 HydrophobicContact CD-CB 4.03Å; K395-F453 HydrophobicContact CD-CD1 3.78Å; K395-F453 HydrophobicContact CD-CE1 4.45Å; K395-F453 HydrophobicContact CD-CG 3.96Å; K395-F453 HydrophobicContact CG-CD1 4.34Å; K395-F453 HydrophobicContact CG-CG 4.47Å; K395-Y467 VanDerWaalsContact CA-OH 3.3Å; K395-Y467 WeakPolarHBondContact CA-OH 3.39Å; K395-Y467 HydrophobicContact CG-CE1 4.42Å; K395-Y467 WeakPolarHBondContact O-CE2 3.48Å; K395-Y467 PolarHBondContact O-OH 2.82Å
396	E	98.6	Very high	96.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-68.9	-37.9	178	-176.7	66.2	169.5	0	0	112.4	C392 V393 V394 L398 R399 F400 F448 D449 P450 R452 F453	C392-E396 WeakPolarHBondContact O-CB 3.42Å; C392-E396 PolarHBondContact O-N 3.24Å; V393-E396 PolarHBondContact O-N 3.42Å; V394-E396 VanDerWaalsContact C-N 3.34Å; V394-E396 PolarHBondContact O-N 3.46Å; E396-L398 VanDerWaalsContact C-N 3.32Å; E396-L398 PolarHBondContact O-N 3.42Å; E396-R399 PolarHBondContact O-N 2.72Å; E396-R399 IonicContact OE1-CZ 2.55Å; E396-R399 IonicContact OE1-NE 2.68Å; E396-R399 PolarHBondContact OE1-NE 3.29Å; E396-R399 IonicContact OE1-NH2 2.7Å; E396-R399 PolarHBondContact OE1-NH2 3.13Å; E396-R399 WeakPolarHBondContact OE2-CD 3.47Å; E396-R399 IonicContact OE2-CZ 2.61Å; E396-R399 IonicContact OE2-NE 3.1Å; E396-R399 PolarHBondContact OE2-NE 3.36Å; E396-R399 IonicContact OE2-NH2 3.67Å; E396-F400 WeakPolarHBondContact O-CB 3.27Å; E396-F400 PolarHBondContact O-N 3.49Å; E396-F448 HydrophobicContact CB-CD2 4.47Å; E396-F448 HydrophobicContact CB-CE2 3.93Å; E396-F448 HydrophobicContact CB-CZ 4.23Å; E396-F448 HydrophobicContact CG-CD2 3.51Å; E396-F448 HydrophobicContact CG-CE2 3.45Å; E396-F448 VanDerWaalsContact CG-CE2 3.45Å; E396-F448 HydrophobicContact CG-CG 4.09Å; E396-F448 HydrophobicContact CG-CZ 3.99Å; E396-D449 PolarHBondContact OE1-N 2.9Å; E396-P450 HydrophobicContact CB-CG 4.49Å; E396-R452 IonicContact OE1-CZ 3.97Å; E396-R452 IonicContact OE1-NE 3.75Å; E396-R452 PolarHBondContact OE1-NE 3.38Å; E396-R452 VanDerWaalsContact OE1-NE 3.11Å; E396-R452 IonicContact OE1-NH2 2.91Å; E396-R452 WeakPolarHBondContact OE2-CD 3.24Å; E396-R452 IonicContact OE2-NE 3.74Å; E396-R452 PolarHBondContact OE2-NE 3.32Å; E396-F453 HydrophobicContact CB-CD2 4.11Å; E396-F453 HydrophobicContact CB-CE2 3.96Å; E396-F453 VanDerWaalsContact OE2-CE2 3.28Å; E396-F453 WeakPolarHBondContact OE2-CE2 3.5Å
397	V	98.6	Very high	96.6	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-57	-47.6	171.7	169.5	0	0	0	0	110.6	L310 Q313 V393 V394 R399 F400 L401 F448	L310-V397 HydrophobicContact CB-CG1 4.31Å; L310-V397 HydrophobicContact CB-CG2 4.41Å; L310-V397 HydrophobicContact CD1-CG2 4.01Å; Q313-V397 HydrophobicContact CB-CG2 4.27Å; Q313-V397 HydrophobicContact CG-CG2 4.28Å; V393-V397 HydrophobicContact CG1-CG2 4.49Å; V393-V397 WeakPolarHBondContact O-CG2 3.45Å; V393-V397 PolarHBondContact O-N 2.83Å; V394-V397 PolarHBondContact O-N 2.83Å; V397-R399 VanDerWaalsContact C-N 3.35Å; V397-F400 PolarHBondContact O-N 3.19Å; V397-L401 CarbonylContact O-C 3.56Å; V397-L401 PolarHBondContact O-N 2.78Å; V397-F448 HydrophobicContact CG2-CE2 3.79Å; V397-F448 HydrophobicContact CG2-CZ 3.94Å
398	L	98.4	Very high	96.5	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-72.7	-25.5	-179.9	-66.2	175.6	0	0	0	113.2	A306 V394 K395 E396 P402 P403 P469 F470 L487	A306-L398 HydrophobicContact CB-CD2 4Å; V394-L398 HydrophobicContact CG1-CD1 4.1Å; V394-L398 WeakPolarHBondContact O-CG 3.37Å; V394-L398 PolarHBondContact O-N 2.97Å; K395-L398 PolarHBondContact O-N 3.25Å; E396-L398 VanDerWaalsContact C-N 3.32Å; E396-L398 PolarHBondContact O-N 3.42Å; L398-P402 VanDerWaalsContact O-CA 3.31Å; L398-P402 WeakPolarHBondContact O-CA 3.3Å; L398-P402 VanDerWaalsContact O-CB 3.31Å; L398-P402 WeakPolarHBondContact O-CB 3.37Å; L398-P403 HydrophobicContact CD2-CG 4.17Å; L398-P469 HydrophobicContact CB-CB 3.92Å; L398-P469 HydrophobicContact CB-CG 4.11Å; L398-F470 HydrophobicContact CD1-CE2 3.69Å; L398-F470 HydrophobicContact CD1-CZ 3.6Å; L398-L487 HydrophobicContact CD1-CD1 4.26Å; L398-L487 HydrophobicContact CD2-CD1 4.12Å; L398-L487 HydrophobicContact CG-CD1 4.34Å
399	R	97.6	Very high	96.5	Very high	3 Å²	3	18.3 Å²	18.3	1%	0.011	9%	0.094	C	C	.	.	H	α-helix	trans	-71.2	-51.7	171.4	-171	-159.9	64.2	83.8	-3.3	110.6	K395 E396 V397 P402 H436 F442 P445 Q447 F453 Y467	K395-R399 WeakPolarHBondContact O-CB 3.24Å; K395-R399 PolarHBondContact O-N 3.49Å; E396-R399 PolarHBondContact O-N 2.72Å; E396-R399 IonicContact OE1-CZ 2.55Å; E396-R399 IonicContact OE1-NE 2.68Å; E396-R399 PolarHBondContact OE1-NE 3.29Å; E396-R399 IonicContact OE1-NH2 2.7Å; E396-R399 PolarHBondContact OE1-NH2 3.13Å; E396-R399 WeakPolarHBondContact OE2-CD 3.47Å; E396-R399 IonicContact OE2-CZ 2.61Å; E396-R399 IonicContact OE2-NE 3.1Å; E396-R399 PolarHBondContact OE2-NE 3.36Å; E396-R399 IonicContact OE2-NH2 3.67Å; V397-R399 VanDerWaalsContact C-N 3.35Å; R399-P402 WeakPolarHBondContact O-CD 3.45Å; R399-H436 HydrophobicContact CG-CB 3.95Å; R399-H436 PolarHBondContact NH1-O 2.69Å; R399-H436 WeakPolarHBondContact O-CB 3.42Å; R399-H436 PolarHBondContact O-ND1 2.96Å; R399-F442 HydrophobicContact CG-CE2 4.11Å; R399-F442 HydrophobicContact CG-CZ 4.18Å; R399-P445 PolarHBondContact NH1-O 3.01Å; R399-P445 PolarHBondContact NH2-O 2.83Å; R399-Q447 PolarHBondContact NH2-O 3.36Å; R399-F453 HydrophobicContact CB-CE2 4.27Å; R399-F453 HydrophobicContact CB-CZ 4.03Å; R399-F453 HydrophobicContact CG-CZ 4.4Å; R399-Y467 HydrophobicContact CB-CD2 4.17Å; R399-Y467 HydrophobicContact CB-CE2 3.91Å; R399-Y467 HydrophobicContact CG-CD2 4.35Å
400	F	96.5	Very high	96.4	Very high	47 Å²	47	19.3 Å²	19.3	21%	0.206	10%	0.103	C	C	.	.	H	α-helix	trans	-74.9	-42.4	-169.5	-164.4	-114.2	0	0	0	112.5	E396 V397 E446 F448	E396-F400 WeakPolarHBondContact O-CB 3.27Å; E396-F400 PolarHBondContact O-N 3.49Å; V397-F400 PolarHBondContact O-N 3.19Å; F400-E446 VanDerWaalsContact CE2-O 3.27Å; F400-E446 WeakPolarHBondContact CE2-O 3.47Å; F400-E446 WeakPolarHBondContact CZ-O 3.27Å; F400-F448 HydrophobicContact CB-CD2 4.25Å; F400-F448 HydrophobicContact CD1-CD2 4.26Å; F400-F448 HydrophobicContact CG-CD2 4.32Å
401	L	96.4	Very high	96.3	Very high	15 Å²	15	19.4 Å²	19.4	8%	0.079	10%	0.103	C	C	.	.	S	Bend	trans	-128.8	66.8	179.2	-68	174.3	0	0	0	110.2	L312 V397 P403 M510 V516	L312-L401 HydrophobicContact CD2-CD1 4.26Å; V397-L401 CarbonylContact O-C 3.56Å; V397-L401 PolarHBondContact O-N 2.78Å; L401-P403 WeakPolarHBondContact O-CD 3.28Å; L401-M510 HydrophobicContact CD1-CE 4.35Å; L401-M510 HydrophobicContact CD2-CG 4.5Å; L401-V516 HydrophobicContact CB-CG1 4.16Å; L401-V516 HydrophobicContact CD2-CG1 4.07Å
402	P	97	Very high	96.3	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.112	C	C	.	.			trans	-63.3	123.3	-179	24.7	-31.4	0	0	0	109.6	L398 R399 V404 I432 R433 V516	L398-P402 VanDerWaalsContact O-CA 3.31Å; L398-P402 WeakPolarHBondContact O-CA 3.3Å; L398-P402 VanDerWaalsContact O-CB 3.31Å; L398-P402 WeakPolarHBondContact O-CB 3.37Å; R399-P402 WeakPolarHBondContact O-CD 3.45Å; P402-V404 PolarHBondContact O-N 3.05Å; P402-I432 HydrophobicContact CB-CG2 3.96Å; P402-I432 HydrophobicContact CG-CG2 4.27Å; P402-R433 HydrophobicContact CG-CB 3.88Å; P402-R433 HydrophobicContact CG-CG 4.3Å; P402-V516 WeakPolarHBondContact O-CG2 3.4Å
403	P	96.4	Very high	96.2	Very high	11 Å²	11	24.9 Å²	24.9	7%	0.071	13%	0.128	C	C	.	.	S	Bend	trans	-53.9	-36.7	-174.9	-30.9	35.9	0	0	0	113.9	T302 A306 L398 L401 I515 V516	T302-P403 WeakPolarHBondContact O-CB 3.36Å; T302-P403 WeakPolarHBondContact O-CG 3.25Å; A306-P403 HydrophobicContact CB-CG 3.69Å; L398-P403 HydrophobicContact CD2-CG 4.17Å; L401-P403 WeakPolarHBondContact O-CD 3.28Å; P403-I515 VanDerWaalsContact O-CA 3.32Å; P403-I515 WeakPolarHBondContact O-CA 3.37Å; P403-V516 PolarHBondContact O-N 2.98Å; P403-V516 VanDerWaalsContact O-N 3.16Å
404	V	93.2	Very high	96.2	Very high	54 Å²	54	26.3 Å²	26.3	33%	0.327	14%	0.136	S	C	.	.	B	Isolated β-bridge	trans	-107.7	116.3	174.7	179.5	0	0	0	0	108.9	T302 P402 G406	T302-V404 HydrophobicContact CG2-CG2 3.77Å; P402-V404 PolarHBondContact O-N 3.05Å; V404-G406 VanDerWaalsContact C-N 3.29Å; V404-G406 VanDerWaalsContact CG1-O 3.26Å; V404-G406 WeakPolarHBondContact CG1-O 3.39Å; V404-G406 PolarHBondContact O-N 3.45Å
405	S	89	Confident	96.1	Very high	10 Å²	10	27 Å²	27	7%	0.07	14%	0.14	C	C	.	.			trans	-71.1	-20.5	-177.5	54.4	0	0	0	0	114.2	S431 I432 R433 T512	S405-S431 CarbonylContact O-C 3.53Å; S405-S431 WeakPolarHBondContact O-CA 3.47Å; S405-S431 PolarHBondContact O-OG 3.25Å; S405-I432 PolarHBondContact O-N 2.82Å; S405-R433 PolarHBondContact O-N 3.35Å; S405-T512 WeakPolarHBondContact CB-O 3.48Å
406	G	92.1	Very high	96.1	Very high	13 Å²	13	29.8 Å²	29.8	13%	0.134	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-170.9	-176.1	0	0	0	0	0	113	V404 Y430	V404-G406 VanDerWaalsContact C-N 3.29Å; V404-G406 VanDerWaalsContact CG1-O 3.26Å; V404-G406 WeakPolarHBondContact CG1-O 3.39Å; V404-G406 PolarHBondContact O-N 3.45Å; G406-Y430 WeakPolarHBondContact CA-O 3.46Å
407	G	92.3	Very high	96	Very high	9 Å²	9	29.9 Å²	29.9	9%	0.093	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	153.6	-179.5	0	0	0	0	0	113.4	M429 Y430	G407-M429 WeakPolarHBondContact O-CA 3.4Å; G407-Y430 VanDerWaalsContact CA-CE1 3.5Å; G407-Y430 PolarHBondContact N-O 2.89Å; G407-Y430 VanDerWaalsContact N-O 3.14Å; G407-Y430 WeakPolarHBondContact O-CD1 3.47Å; G407-Y430 WeakPolarHBondContact O-CE1 3.22Å; G407-Y430 PolarHBondContact O-N 3.4Å
408	Y	93.8	Very high	95.8	Very high	92 Å²	92	33.8 Å²	33.8	36%	0.361	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	141.5	178.3	-67.4	-92.5	0	0	0	111.5	L94 Q117 V428 M429	L94-Y408 HydrophobicContact CD1-CD1 4.2Å; L94-Y408 HydrophobicContact CD1-CE1 4.16Å; L94-Y408 HydrophobicContact CD2-CE1 4.42Å; Q117-Y408 PolarHBondContact N-O 2.86Å; Q117-Y408 VanDerWaalsContact N-O 3.09Å; Y408-V428 CarbonylContact C-O 3.49Å; Y408-V428 WeakPolarHBondContact CA-O 3.38Å; Y408-M429 HydrophobicContact CD1-CB 3.93Å; Y408-M429 HydrophobicContact CD1-CG 4.32Å; Y408-M429 HydrophobicContact CE1-CB 3.87Å; Y408-M429 HydrophobicContact CE1-CG 4Å; Y408-M429 HydrophobicContact CE1-SD 3.78Å; Y408-M429 HydrophobicContact CE2-CE 4.29Å; Y408-M429 HydrophobicContact CE2-SD 4.34Å; Y408-M429 VanDerWaalsContact CZ-SD 3.6Å; Y408-M429 PolarHBondContact OH-SD 2.96Å; Y408-M429 VanDerWaalsContact OH-SD 3.42Å
409	R	96.1	Very high	95.7	Very high	13 Å²	13	35 Å²	35	5%	0.049	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.8	-179.2	-69.2	-58.6	177.9	-74.2	-6.8	110	I106 E110 V114 C115 Q117 S427 V428 Y430	I106-R409 HydrophobicContact CG2-CG 3.98Å; E110-R409 VanDerWaalsContact OE2-CD 3.28Å; E110-R409 WeakPolarHBondContact OE2-CD 3.48Å; E110-R409 IonicContact OE2-CZ 3.93Å; E110-R409 IonicContact OE2-NE 3.9Å; E110-R409 PolarHBondContact OE2-NE 2.86Å; V114-R409 HydrophobicContact CB-CB 3.98Å; V114-R409 HydrophobicContact CB-CG 4.29Å; V114-R409 HydrophobicContact CG1-CB 4.32Å; V114-R409 HydrophobicContact CG2-CB 4.37Å; V114-R409 HydrophobicContact CG2-CG 4.12Å; C115-R409 VanDerWaalsContact C-CD 3.49Å; C115-R409 CarbonylContact O-C 3.58Å; C115-R409 VanDerWaalsContact O-CA 3.25Å; C115-R409 WeakPolarHBondContact O-CA 3.41Å; C115-R409 WeakPolarHBondContact O-CD 3.36Å; Q117-R409 PolarHBondContact OE1-O 3.26Å; Q117-R409 VanDerWaalsContact OE1-O 3.08Å; R409-S427 CarbonylContact O-C 3.59Å; R409-S427 WeakPolarHBondContact O-CA 3.5Å; R409-V428 HydrophobicContact CB-CB 4.25Å; R409-V428 PolarHBondContact N-O 3.38Å; R409-V428 PolarHBondContact O-N 3.15Å; R409-Y430 HydrophobicContact CG-CD1 4.32Å; R409-Y430 HydrophobicContact CG-CE1 4.28Å
410	T	96.8	Very high	95.7	Very high	43 Å²	43	36.9 Å²	36.9	26%	0.264	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.1	167.5	-58.7	0	0	0	0	109	V114 C115 Q117 L412	V114-T410 CarbonylContact C-O 3.57Å; V114-T410 VanDerWaalsContact CA-O 3.24Å; V114-T410 WeakPolarHBondContact CA-O 3.42Å; C115-T410 PolarHBondContact N-O 3.24Å; C115-T410 PolarHBondContact O-N 2.75Å; Q117-T410 VanDerWaalsContact CD-OG1 3.27Å; Q117-T410 PolarHBondContact OE1-OG1 3.47Å; T410-L412 PolarHBondContact O-N 3.06Å
411	A	97.8	Very high	95.7	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.017	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	120.6	174.6	0	0	0	0	0	110.7	F415 I422 P423 G425 W426	A411-F415 HydrophobicContact CB-CE1 3.91Å; A411-I422 HydrophobicContact CB-CG2 4.27Å; A411-P423 WeakPolarHBondContact CB-O 3.33Å; A411-G425 PolarHBondContact O-N 2.88Å; A411-W426 PolarHBondContact N-O 2.99Å
412	L	97.1	Very high	95.8	Very high	73 Å²	73	33.9 Å²	33.9	38%	0.382	18%	0.182	S	C	.	.	S	Bend	trans	-83	-25.2	-179.5	-65	178.2	0	0	0	112.6	L113 C115 T410 K424	L113-L412 PolarHBondContact O-N 3.22Å; C115-L412 HydrophobicContact CB-CD1 4.1Å; C115-L412 HydrophobicContact CB-CD2 3.85Å; C115-L412 HydrophobicContact CB-CG 4.1Å; T410-L412 PolarHBondContact O-N 3.06Å; L412-K424 WeakPolarHBondContact O-CD 3.48Å; L412-K424 VanDerWaalsContact O-CE 3.3Å; L412-K424 WeakPolarHBondContact O-CE 3.33Å; L412-K424 WeakPolarHBondContact O-CG 3.29Å
413	K	96.9	Very high	95.8	Very high	91 Å²	91	34 Å²	34	40%	0.396	18%	0.183	S	C	.	.	S	Bend	trans	-148.7	166.1	173.9	61.3	-173	-179	-172.5	0	109	N112 F415	N112-K413 WeakPolarHBondContact OD1-CE 3.34Å; N112-K413 PolarHBondContact OD1-NZ 2.94Å; K413-F415 WeakPolarHBondContact O-CD1 3.35Å
414	T	97.7	Very high	95.8	Very high	35 Å²	35	40.5 Å²	40.5	22%	0.215	21%	0.21	C	C	.	.			trans	-70.6	134.5	173.9	-56.6	0	0	0	0	110.1	D43 Q421 I422 K424	D43-T414 HydrophobicContact CB-CG2 3.79Å; D43-T414 WeakPolarHBondContact OD2-CB 3.22Å; D43-T414 WeakPolarHBondContact OD2-CG2 3.28Å; D43-T414 PolarHBondContact OD2-OG1 3.5Å; T414-Q421 HydrophobicContact CG2-CB 4.03Å; T414-I422 VanDerWaalsContact CA-O 3.25Å; T414-I422 WeakPolarHBondContact CA-O 3.48Å; T414-K424 PolarHBondContact OG1-N 3.36Å
415	F	97.8	Very high	95.9	Very high	16 Å²	16	40.3 Å²	40.3	7%	0.07	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	165	176.9	66.5	-83.6	0	0	0	111.1	L113 V114 A411 K413 L417 I422	L113-F415 HydrophobicContact CB-CD1 4.31Å; L113-F415 HydrophobicContact CB-CE1 4.49Å; L113-F415 HydrophobicContact CD1-CD2 4.33Å; L113-F415 HydrophobicContact CD1-CG 4.47Å; L113-F415 HydrophobicContact CD2-CB 4.26Å; V114-F415 HydrophobicContact CG1-CE1 3.85Å; V114-F415 HydrophobicContact CG1-CZ 3.84Å; A411-F415 HydrophobicContact CB-CE1 3.91Å; K413-F415 WeakPolarHBondContact O-CD1 3.35Å; F415-L417 HydrophobicContact CD2-CD2 4.42Å; F415-L417 HydrophobicContact CD2-CG 4.11Å; F415-L417 HydrophobicContact CE2-CD1 3.77Å; F415-L417 HydrophobicContact CE2-CD2 4Å; F415-L417 HydrophobicContact CE2-CG 3.63Å; F415-L417 HydrophobicContact CZ-CD1 4.38Å; F415-I422 HydrophobicContact CD1-CB 4.16Å; F415-I422 HydrophobicContact CD1-CG2 4.49Å; F415-I422 HydrophobicContact CD2-CB 4.46Å; F415-I422 HydrophobicContact CD2-CG1 4.33Å; F415-I422 HydrophobicContact CE1-CB 3.89Å; F415-I422 HydrophobicContact CE1-CG2 3.78Å; F415-I422 HydrophobicContact CE2-CB 4.23Å; F415-I422 HydrophobicContact CE2-CG1 4Å; F415-I422 HydrophobicContact CG-CB 4.44Å; F415-I422 HydrophobicContact CZ-CB 3.93Å; F415-I422 HydrophobicContact CZ-CG1 4.1Å; F415-I422 HydrophobicContact CZ-CG2 3.83Å; F415-I422 PolarHBondContact N-O 3.26Å; F415-I422 WeakPolarHBondContact O-CB 3.37Å; F415-I422 PolarHBondContact O-N 3.29Å
416	E	97.4	Very high	96.2	Very high	92 Å²	92	40.3 Å²	40.3	43%	0.43	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	140.5	-178	179.2	-179.7	164.7	0	0	113.1	L48 K105 G419 Y420	L48-E416 HydrophobicContact CD1-CB 3.83Å; L48-E416 HydrophobicContact CD1-CG 3.5Å; K105-E416 VanDerWaalsContact CE-O 3.29Å; K105-E416 WeakPolarHBondContact CE-O 3.24Å; K105-E416 PolarHBondContact NZ-O 3.42Å; E416-G419 WeakPolarHBondContact OE1-CA 3.47Å; E416-G419 PolarHBondContact OE1-N 2.96Å; E416-Y420 CarbonylContact C-O 3.57Å; E416-Y420 VanDerWaalsContact CA-O 3.26Å; E416-Y420 WeakPolarHBondContact CA-O 3.42Å
417	L	97.3	Very high	96.4	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.4	161.2	-66.4	175.9	0	0	0	109.5	V84 V97 N102 K105 I106 F415 G419 Y420 I422	V84-L417 HydrophobicContact CG1-CB 4.21Å; V84-L417 HydrophobicContact CG2-CB 4Å; V97-L417 HydrophobicContact CG1-CD1 4.02Å; V97-L417 HydrophobicContact CG2-CD1 3.73Å; N102-L417 HydrophobicContact CB-CD2 4.24Å; K105-L417 HydrophobicContact CB-CD2 4.17Å; K105-L417 HydrophobicContact CD-CD2 3.86Å; K105-L417 HydrophobicContact CG-CD2 4.31Å; I106-L417 HydrophobicContact CD1-CD1 4Å; I106-L417 HydrophobicContact CG1-CD1 4.26Å; F415-L417 HydrophobicContact CD2-CD2 4.42Å; F415-L417 HydrophobicContact CD2-CG 4.11Å; F415-L417 HydrophobicContact CE2-CD1 3.77Å; F415-L417 HydrophobicContact CE2-CD2 4Å; F415-L417 HydrophobicContact CE2-CG 3.63Å; F415-L417 HydrophobicContact CZ-CD1 4.38Å; L417-G419 VanDerWaalsContact C-N 3.25Å; L417-G419 PolarHBondContact O-N 3.23Å; L417-G419 VanDerWaalsContact O-N 3.16Å; L417-Y420 PolarHBondContact N-O 3.02Å; L417-Y420 WeakPolarHBondContact O-CB 3.45Å; L417-Y420 PolarHBondContact O-N 2.74Å; L417-I422 HydrophobicContact CB-CD1 4.25Å; L417-I422 HydrophobicContact CB-CG1 4.15Å; L417-I422 HydrophobicContact CD1-CD1 4.16Å; L417-I422 HydrophobicContact CD1-CG1 3.8Å; L417-I422 HydrophobicContact CG-CD1 4.43Å; L417-I422 HydrophobicContact CG-CG1 3.89Å
418	D	95.1	Very high	96.6	Very high	83 Å²	83	39.7 Å²	39.7	44%	0.444	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.7	44.7	-179.1	-70.4	-10	0	0	0	114.5	V84 N102 Y420	V84-D418 HydrophobicContact CB-CB 4.46Å; V84-D418 HydrophobicContact CG2-CB 3.96Å; V84-D418 WeakPolarHBondContact CG2-OD2 3.39Å; N102-D418 PolarHBondContact ND2-OD1 2.85Å; N102-D418 PolarHBondContact ND2-OD2 3.38Å; N102-D418 PolarHBondContact OD1-OD1 2.87Å; N102-D418 VanDerWaalsContact OD1-OD1 3.12Å; D418-Y420 VanDerWaalsContact C-N 3.26Å; D418-Y420 HydrophobicContact CB-CD2 4.36Å; D418-Y420 WeakPolarHBondContact O-CD2 3.48Å; D418-Y420 WeakPolarHBondContact O-CE2 3.07Å; D418-Y420 PolarHBondContact O-N 2.56Å
419	G	95.9	Very high	96.7	Very high	30 Å²	30	35.7 Å²	35.7	31%	0.309	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	11	-179.5	0	0	0	0	0	115.2	E416 L417	E416-G419 WeakPolarHBondContact OE1-CA 3.47Å; E416-G419 PolarHBondContact OE1-N 2.96Å; L417-G419 VanDerWaalsContact C-N 3.25Å; L417-G419 PolarHBondContact O-N 3.23Å; L417-G419 VanDerWaalsContact O-N 3.16Å
420	Y	97.5	Very high	96.7	Very high	41 Å²	41	35.9 Å²	35.9	16%	0.161	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	145.1	176.2	-59.4	-74.3	0	0	0	112	P49 L50 P51 R52 V84 E416 L417 D418	P49-Y420 HydrophobicContact CG-CD1 3.97Å; P49-Y420 HydrophobicContact CG-CE1 4.22Å; P49-Y420 WeakPolarHBondContact O-CA 3.33Å; L50-Y420 WeakPolarHBondContact O-CD1 3.41Å; P51-Y420 VanDerWaalsContact CA-CD1 3.46Å; P51-Y420 HydrophobicContact CB-CG 4.25Å; P51-Y420 HydrophobicContact CG-CG 4.15Å; R52-Y420 WeakPolarHBondContact CD-OH 3.25Å; R52-Y420 HydrophobicContact CG-CE1 4.23Å; R52-Y420 PolarHBondContact NE-OH 3.22Å; V84-Y420 HydrophobicContact CB-CD2 4.37Å; V84-Y420 HydrophobicContact CG1-CD2 4.38Å; E416-Y420 CarbonylContact C-O 3.57Å; E416-Y420 VanDerWaalsContact CA-O 3.26Å; E416-Y420 WeakPolarHBondContact CA-O 3.42Å; L417-Y420 PolarHBondContact N-O 3.02Å; L417-Y420 WeakPolarHBondContact O-CB 3.45Å; L417-Y420 PolarHBondContact O-N 2.74Å; D418-Y420 VanDerWaalsContact C-N 3.26Å; D418-Y420 HydrophobicContact CB-CD2 4.36Å; D418-Y420 WeakPolarHBondContact O-CD2 3.48Å; D418-Y420 WeakPolarHBondContact O-CE2 3.07Å; D418-Y420 PolarHBondContact O-N 2.56Å
421	Q	97.2	Very high	96.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.5	168.7	57.3	165.1	-83.2	0	0	111.3	R42 D43 S46 L48 P49 L50 P51 T414 P423	R42-Q421 VanDerWaalsContact CG-CD 3.45Å; D43-Q421 PolarHBondContact O-NE2 2.81Å; S46-Q421 PolarHBondContact O-NE2 3.36Å; L48-Q421 HydrophobicContact CB-CB 4.18Å; L48-Q421 WeakPolarHBondContact O-CG 3.15Å; L48-Q421 PolarHBondContact O-NE2 3.37Å; P49-Q421 WeakPolarHBondContact O-CG 3.44Å; P49-Q421 PolarHBondContact O-N 3.47Å; L50-Q421 HydrophobicContact CD2-CG 4.21Å; P51-Q421 VanDerWaalsContact CD-O 3.28Å; P51-Q421 WeakPolarHBondContact CD-O 3.42Å; T414-Q421 HydrophobicContact CG2-CB 4.03Å; Q421-P423 WeakPolarHBondContact O-CD 3.24Å
422	I	97.6	Very high	96.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	101.5	170	-51	-48	0	0	0	106.8	P51 V84 I95 A411 T414 F415 L417 V428	P51-I422 HydrophobicContact CG-CD1 3.78Å; V84-I422 HydrophobicContact CG1-CD1 4.1Å; I95-I422 HydrophobicContact CG1-CD1 4.32Å; I95-I422 HydrophobicContact CG1-CG2 4.28Å; I95-I422 HydrophobicContact CG2-CD1 3.92Å; A411-I422 HydrophobicContact CB-CG2 4.27Å; T414-I422 VanDerWaalsContact CA-O 3.25Å; T414-I422 WeakPolarHBondContact CA-O 3.48Å; F415-I422 HydrophobicContact CD1-CB 4.16Å; F415-I422 HydrophobicContact CD1-CG2 4.49Å; F415-I422 HydrophobicContact CD2-CB 4.46Å; F415-I422 HydrophobicContact CD2-CG1 4.33Å; F415-I422 HydrophobicContact CE1-CB 3.89Å; F415-I422 HydrophobicContact CE1-CG2 3.78Å; F415-I422 HydrophobicContact CE2-CB 4.23Å; F415-I422 HydrophobicContact CE2-CG1 4Å; F415-I422 HydrophobicContact CG-CB 4.44Å; F415-I422 HydrophobicContact CZ-CB 3.93Å; F415-I422 HydrophobicContact CZ-CG1 4.1Å; F415-I422 HydrophobicContact CZ-CG2 3.83Å; F415-I422 PolarHBondContact N-O 3.26Å; F415-I422 WeakPolarHBondContact O-CB 3.37Å; F415-I422 PolarHBondContact O-N 3.29Å; L417-I422 HydrophobicContact CB-CD1 4.25Å; L417-I422 HydrophobicContact CB-CG1 4.15Å; L417-I422 HydrophobicContact CD1-CD1 4.16Å; L417-I422 HydrophobicContact CD1-CG1 3.8Å; L417-I422 HydrophobicContact CG-CD1 4.43Å; L417-I422 HydrophobicContact CG-CG1 3.89Å; I422-V428 HydrophobicContact CG2-CG2 3.69Å
423	P	96.6	Very high	96.4	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.026	17%	0.173	C	C	.	.			trans	-67	148.2	-171.3	-18.9	31	0	0	0	112.5	L50 A411 Q421 G425 W426	L50-P423 HydrophobicContact CD2-CG 3.33Å; A411-P423 WeakPolarHBondContact CB-O 3.33Å; Q421-P423 WeakPolarHBondContact O-CD 3.24Å; P423-G425 PolarHBondContact O-N 3.33Å; P423-W426 HydrophobicContact CB-CG 4.27Å; P423-W426 HydrophobicContact CG-CD2 4.36Å; P423-W426 HydrophobicContact CG-CG 4.38Å; P423-W426 WeakPolarHBondContact O-CB 3.33Å; P423-W426 PolarHBondContact O-N 3.2Å
424	K	96.3	Very high	96.2	Very high	147 Å²	147	28.6 Å²	28.6	64%	0.639	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	138.3	170.8	-177.8	177.6	179.5	-176.2	0	111.6	L412 T414 W426	L412-K424 WeakPolarHBondContact O-CD 3.48Å; L412-K424 VanDerWaalsContact O-CE 3.3Å; L412-K424 WeakPolarHBondContact O-CE 3.33Å; L412-K424 WeakPolarHBondContact O-CG 3.29Å; T414-K424 PolarHBondContact OG1-N 3.36Å; K424-W426 VanDerWaalsContact C-N 3.26Å; K424-W426 PolarHBondContact O-N 3.03Å
425	G	94.8	Very high	96.1	Very high	49 Å²	49	27 Å²	27	51%	0.505	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-11.6	177	0	0	0	0	0	114.9	A411 P423	A411-G425 PolarHBondContact O-N 2.88Å; P423-G425 PolarHBondContact O-N 3.33Å
426	W	95.6	Very high	96	Very high	10 Å²	10	26.2 Å²	26.2	4%	0.038	14%	0.142	C	C	.	.			trans	-70.7	148.1	175.6	-78.5	50.7	0	0	0	111.5	W38 T41 M55 K86 P93 I95 A411 P423 K424	W38-W426 HydrophobicContact CE3-CZ2 4.08Å; T41-W426 WeakPolarHBondContact OG1-CZ2 3.42Å; M55-W426 HydrophobicContact CE-CH2 3.91Å; M55-W426 HydrophobicContact CE-CZ3 4.22Å; M55-W426 HydrophobicContact SD-CH2 4.15Å; M55-W426 HydrophobicContact SD-CZ3 4.34Å; K86-W426 HydrophobicContact CB-CZ3 4.1Å; P93-W426 HydrophobicContact CB-CD2 3.85Å; P93-W426 HydrophobicContact CB-CE3 3.72Å; P93-W426 HydrophobicContact CB-CH2 4.09Å; P93-W426 HydrophobicContact CB-CZ2 4.2Å; P93-W426 HydrophobicContact CB-CZ3 3.84Å; P93-W426 HydrophobicContact CG-CD2 4.26Å; P93-W426 HydrophobicContact CG-CG 4.48Å; I95-W426 HydrophobicContact CD1-CE3 3.43Å; I95-W426 VanDerWaalsContact CD1-CE3 3.43Å; I95-W426 HydrophobicContact CD1-CZ3 3.52Å; I95-W426 HydrophobicContact CG1-CE3 3.84Å; I95-W426 HydrophobicContact CG1-CZ3 4.42Å; A411-W426 PolarHBondContact N-O 2.99Å; P423-W426 HydrophobicContact CB-CG 4.27Å; P423-W426 HydrophobicContact CG-CD2 4.36Å; P423-W426 HydrophobicContact CG-CG 4.38Å; P423-W426 WeakPolarHBondContact O-CB 3.33Å; P423-W426 PolarHBondContact O-N 3.2Å; K424-W426 VanDerWaalsContact C-N 3.26Å; K424-W426 PolarHBondContact O-N 3.03Å
427	S	96.6	Very high	95.7	Very high	10 Å²	10	24.3 Å²	24.3	7%	0.07	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	141.9	170.8	-55.2	0	0	0	0	109.1	P93 L94 I95 Q117 R409	P93-S427 WeakPolarHBondContact O-CB 3.45Å; P93-S427 PolarHBondContact O-N 3.21Å; L94-S427 CarbonylContact C-O 3.6Å; L94-S427 WeakPolarHBondContact CA-O 3.02Å; I95-S427 PolarHBondContact N-O 3.1Å; Q117-S427 PolarHBondContact NE2-OG 3.07Å; Q117-S427 VanDerWaalsContact NE2-OG 3.1Å; Q117-S427 PolarHBondContact OE1-OG 3.22Å; R409-S427 CarbonylContact O-C 3.59Å; R409-S427 WeakPolarHBondContact O-CA 3.5Å
428	V	97.4	Very high	95.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.3	178.3	-177.6	0	0	0	0	107.3	I95 V97 I106 Y408 R409 I422	I95-V428 HydrophobicContact CB-CG2 4.44Å; I95-V428 CarbonylContact O-C 3.15Å; I95-V428 WeakPolarHBondContact O-CA 3.49Å; V97-V428 HydrophobicContact CB-CG1 4.47Å; V97-V428 HydrophobicContact CG2-CG1 3.69Å; I106-V428 HydrophobicContact CD1-CG1 3.61Å; I106-V428 HydrophobicContact CG1-CG1 4.44Å; Y408-V428 CarbonylContact C-O 3.49Å; Y408-V428 WeakPolarHBondContact CA-O 3.38Å; R409-V428 HydrophobicContact CB-CB 4.25Å; R409-V428 PolarHBondContact N-O 3.38Å; R409-V428 PolarHBondContact O-N 3.15Å; I422-V428 HydrophobicContact CG2-CG2 3.69Å
429	M	95.6	Very high	95.3	Very high	7 Å²	7	23.6 Å²	23.6	3%	0.034	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	103.8	174.7	174.8	-172	-171.3	0	0	109.1	L94 I95 R96 V97 G407 Y408	L94-M429 HydrophobicContact CD1-CB 3.77Å; L94-M429 HydrophobicContact CD2-CB 4.28Å; L94-M429 HydrophobicContact CD2-SD 4.39Å; L94-M429 HydrophobicContact CG-CB 4.35Å; I95-M429 PolarHBondContact O-N 2.8Å; R96-M429 WeakPolarHBondContact CA-O 3.48Å; R96-M429 WeakPolarHBondContact CD-SD 3.37Å; R96-M429 PolarHBondContact NH1-O 3.23Å; V97-M429 PolarHBondContact N-O 2.96Å; G407-M429 WeakPolarHBondContact O-CA 3.4Å; Y408-M429 HydrophobicContact CD1-CB 3.93Å; Y408-M429 HydrophobicContact CD1-CG 4.32Å; Y408-M429 HydrophobicContact CE1-CB 3.87Å; Y408-M429 HydrophobicContact CE1-CG 4Å; Y408-M429 HydrophobicContact CE1-SD 3.78Å; Y408-M429 HydrophobicContact CE2-CE 4.29Å; Y408-M429 HydrophobicContact CE2-SD 4.34Å; Y408-M429 VanDerWaalsContact CZ-SD 3.6Å; Y408-M429 PolarHBondContact OH-SD 2.96Å; Y408-M429 VanDerWaalsContact OH-SD 3.42Å
430	Y	96.3	Very high	95.1	Very high	18 Å²	18	27.2 Å²	27.2	7%	0.071	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	146.2	171	70.1	-91.7	0	0	0	109.9	V97 I103 I106 L107 G406 G407 R409 I432	V97-Y430 CarbonylContact O-C 3.57Å; V97-Y430 VanDerWaalsContact O-CA 3.28Å; V97-Y430 WeakPolarHBondContact O-CA 3.1Å; I103-Y430 HydrophobicContact CD1-CD2 4.2Å; I103-Y430 HydrophobicContact CG2-CD2 4.21Å; I106-Y430 HydrophobicContact CG2-CD1 3.99Å; L107-Y430 HydrophobicContact CD2-CD1 4.41Å; L107-Y430 HydrophobicContact CD2-CD2 4.42Å; L107-Y430 HydrophobicContact CD2-CE1 3.88Å; L107-Y430 HydrophobicContact CD2-CE2 3.9Å; G406-Y430 WeakPolarHBondContact CA-O 3.46Å; G407-Y430 VanDerWaalsContact CA-CE1 3.5Å; G407-Y430 PolarHBondContact N-O 2.89Å; G407-Y430 VanDerWaalsContact N-O 3.14Å; G407-Y430 WeakPolarHBondContact O-CD1 3.47Å; G407-Y430 WeakPolarHBondContact O-CE1 3.22Å; G407-Y430 PolarHBondContact O-N 3.4Å; R409-Y430 HydrophobicContact CG-CD1 4.32Å; R409-Y430 HydrophobicContact CG-CE1 4.28Å; Y430-I432 HydrophobicContact CD2-CG1 4.28Å; Y430-I432 HydrophobicContact CE2-CD1 4.12Å; Y430-I432 HydrophobicContact CE2-CG1 3.93Å
431	S	95.1	Very high	94.9	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.028	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115	179.2	-175.6	0	0	0	0	112.1	V97 I103 S405 D434 T435	V97-S431 PolarHBondContact O-N 3.26Å; I103-S431 WeakPolarHBondContact CD1-O 3.37Å; S405-S431 CarbonylContact O-C 3.53Å; S405-S431 WeakPolarHBondContact O-CA 3.47Å; S405-S431 PolarHBondContact O-OG 3.25Å; S431-D434 WeakPolarHBondContact CB-OD2 3.48Å; S431-D434 WeakPolarHBondContact OG-CB 3.3Å; S431-D434 PolarHBondContact OG-N 3.04Å; S431-D434 VanDerWaalsContact OG-N 3.08Å; S431-D434 PolarHBondContact OG-OD2 2.89Å; S431-T435 WeakPolarHBondContact O-CB 3.39Å; S431-T435 PolarHBondContact O-N 3.19Å; S431-T435 PolarHBondContact O-OG1 3.22Å
432	I	95.8	Very high	94.8	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-65.2	-51.3	172.1	-67.9	169.3	0	0	0	108.8	P402 S405 Y430 D434 T435 H436 V468	P402-I432 HydrophobicContact CB-CG2 3.96Å; P402-I432 HydrophobicContact CG-CG2 4.27Å; S405-I432 PolarHBondContact O-N 2.82Å; Y430-I432 HydrophobicContact CD2-CG1 4.28Å; Y430-I432 HydrophobicContact CE2-CD1 4.12Å; Y430-I432 HydrophobicContact CE2-CG1 3.93Å; I432-D434 PolarHBondContact O-N 3.35Å; I432-T435 PolarHBondContact O-N 2.72Å; I432-T435 VanDerWaalsContact O-N 3.14Å; I432-H436 VanDerWaalsContact CG2-CE1 3.42Å; I432-H436 WeakPolarHBondContact CG2-CE1 3.49Å; I432-H436 PolarHBondContact O-CD2 3.15Å; I432-H436 PolarHBondContact O-N 3.31Å; I432-V468 WeakPolarHBondContact CD1-O 3.37Å; I432-V468 HydrophobicContact CG1-CG2 4.25Å; I432-V468 HydrophobicContact CG2-CG2 4.31Å; I432-V468 WeakPolarHBondContact CG2-O 3.5Å
433	R	93.3	Very high	94.5	Very high	41 Å²	41	33.2 Å²	33.2	16%	0.155	19%	0.191	C	C	.	.	H	α-helix	trans	-57.2	-53.5	-177.6	-178.1	-177.9	176.9	-74.4	-4	112	P402 S405 T435 H436 E437	P402-R433 HydrophobicContact CG-CB 3.88Å; P402-R433 HydrophobicContact CG-CG 4.3Å; S405-R433 PolarHBondContact O-N 3.35Å; R433-T435 PolarHBondContact O-N 3.2Å; R433-H436 PolarHBondContact O-N 3.14Å; R433-H436 VanDerWaalsContact O-N 3.16Å; R433-E437 IonicContact CZ-OE1 3.89Å; R433-E437 IonicContact CZ-OE2 3.41Å; R433-E437 IonicContact NE-OE1 3.05Å; R433-E437 PolarHBondContact NE-OE1 3.38Å; R433-E437 IonicContact NH1-OE1 3.19Å; R433-E437 PolarHBondContact NH1-OE1 3.02Å; R433-E437 IonicContact NH1-OE2 3.43Å; R433-E437 PolarHBondContact NH1-OE2 3.44Å; R433-E437 IonicContact NH2-OE1 3.92Å; R433-E437 PolarHBondContact NH2-OE1 2.95Å; R433-E437 IonicContact NH2-OE2 3.65Å; R433-E437 WeakPolarHBondContact O-CG 3.4Å; R433-E437 PolarHBondContact O-N 3.4Å
434	D	93.6	Very high	94.4	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-33.8	-178.3	-61.2	-42.9	0	0	0	111	R78 R96 T98 S431 I432 E437 T438	R78-D434 IonicContact CZ-OD1 3.56Å; R78-D434 IonicContact NH1-OD1 3.18Å; R78-D434 PolarHBondContact NH1-OD1 3.02Å; R78-D434 IonicContact NH1-OD2 2.81Å; R96-D434 IonicContact CZ-OD2 3.91Å; R96-D434 IonicContact NH2-OD2 3.96Å; R96-D434 PolarHBondContact NH2-OD2 3.22Å; T98-D434 HydrophobicContact CG2-CB 3.51Å; S431-D434 WeakPolarHBondContact CB-OD2 3.48Å; S431-D434 WeakPolarHBondContact OG-CB 3.3Å; S431-D434 PolarHBondContact OG-N 3.04Å; S431-D434 VanDerWaalsContact OG-N 3.08Å; S431-D434 PolarHBondContact OG-OD2 2.89Å; I432-D434 PolarHBondContact O-N 3.35Å; D434-E437 PolarHBondContact O-N 3.03Å; D434-T438 WeakPolarHBondContact O-CB 3.43Å; D434-T438 WeakPolarHBondContact O-CG2 2.97Å; D434-T438 PolarHBondContact O-N 3.48Å; D434-T438 PolarHBondContact O-OG1 2.9Å
435	T	95.3	Very high	94.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-70.9	-39.6	178	-59.2	0	0	0	0	111.9	G99 I103 S431 I432 R433 E437 T438 A439	G99-T435 PolarHBondContact N-OG1 3.31Å; I103-T435 HydrophobicContact CD1-CG2 4.4Å; I103-T435 WeakPolarHBondContact CD1-OG1 3.28Å; S431-T435 WeakPolarHBondContact O-CB 3.39Å; S431-T435 PolarHBondContact O-N 3.19Å; S431-T435 PolarHBondContact O-OG1 3.22Å; I432-T435 PolarHBondContact O-N 2.72Å; I432-T435 VanDerWaalsContact O-N 3.14Å; R433-T435 PolarHBondContact O-N 3.2Å; T435-E437 VanDerWaalsContact C-N 3.26Å; T435-E437 PolarHBondContact O-N 3.21Å; T435-T438 PolarHBondContact O-N 3.12Å; T435-A439 WeakPolarHBondContact O-CB 3.41Å; T435-A439 PolarHBondContact O-N 3.38Å
436	H	95.5	Very high	94.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.6	-30.4	173.3	-68.4	-177.3	0	0	0	112.8	R399 I432 R433 F442 S466 V468	R399-H436 HydrophobicContact CG-CB 3.95Å; R399-H436 PolarHBondContact NH1-O 2.69Å; R399-H436 WeakPolarHBondContact O-CB 3.42Å; R399-H436 PolarHBondContact O-ND1 2.96Å; I432-H436 VanDerWaalsContact CG2-CE1 3.42Å; I432-H436 WeakPolarHBondContact CG2-CE1 3.49Å; I432-H436 PolarHBondContact O-CD2 3.15Å; I432-H436 PolarHBondContact O-N 3.31Å; R433-H436 PolarHBondContact O-N 3.14Å; R433-H436 VanDerWaalsContact O-N 3.16Å; H436-F442 WeakPolarHBondContact O-CD2 3.29Å; H436-S466 PolarHBondContact CD2-O 2.87Å; H436-S466 VanDerWaalsContact CD2-O 3.23Å; H436-V468 PolarHBondContact NE2-N 3.19Å
437	E	92.1	Very high	94.2	Very high	52 Å²	52	38.2 Å²	38.2	24%	0.243	21%	0.213	C	C	.	.	H	α-helix	trans	-79.8	-30	178.7	-73.7	179.4	165.2	0	0	113.4	R433 D434 T435 P445	R433-E437 IonicContact CZ-OE1 3.89Å; R433-E437 IonicContact CZ-OE2 3.41Å; R433-E437 IonicContact NE-OE1 3.05Å; R433-E437 PolarHBondContact NE-OE1 3.38Å; R433-E437 IonicContact NH1-OE1 3.19Å; R433-E437 PolarHBondContact NH1-OE1 3.02Å; R433-E437 IonicContact NH1-OE2 3.43Å; R433-E437 PolarHBondContact NH1-OE2 3.44Å; R433-E437 IonicContact NH2-OE1 3.92Å; R433-E437 PolarHBondContact NH2-OE1 2.95Å; R433-E437 IonicContact NH2-OE2 3.65Å; R433-E437 WeakPolarHBondContact O-CG 3.4Å; R433-E437 PolarHBondContact O-N 3.4Å; D434-E437 PolarHBondContact O-N 3.03Å; T435-E437 VanDerWaalsContact C-N 3.26Å; T435-E437 PolarHBondContact O-N 3.21Å; E437-P445 WeakPolarHBondContact O-CB 3.3Å; E437-P445 WeakPolarHBondContact O-CG 3.36Å
438	T	91.4	Very high	94.3	Very high	61 Å²	61	38.6 Å²	38.6	37%	0.374	21%	0.214	S	C	.	.	H	α-helix	trans	-114.4	-3.6	-172.8	67.9	0	0	0	0	114.6	D434 T435 A440	D434-T438 WeakPolarHBondContact O-CB 3.43Å; D434-T438 WeakPolarHBondContact O-CG2 2.97Å; D434-T438 PolarHBondContact O-N 3.48Å; D434-T438 PolarHBondContact O-OG1 2.9Å; T435-T438 PolarHBondContact O-N 3.12Å; T438-A440 PolarHBondContact O-N 2.87Å
439	A	92.9	Very high	94.3	Very high	10 Å²	10	40.5 Å²	40.5	8%	0.083	22%	0.223	C	C	.	.			trans	-63	122.2	176.8	0	0	0	0	0	110.3	T435 V441 F442	T435-A439 WeakPolarHBondContact O-CB 3.41Å; T435-A439 PolarHBondContact O-N 3.38Å; A439-V441 HydrophobicContact CB-CG2 4.17Å; A439-V441 PolarHBondContact O-N 3.11Å; A439-F442 HydrophobicContact CB-CD2 4.04Å; A439-F442 HydrophobicContact CB-CE2 4.44Å; A439-F442 PolarHBondContact O-N 3.31Å
440	A	91.6	Very high	94.4	Very high	106 Å²	106	40.3 Å²	40.3	88%	0.876	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-14.7	-176.3	0	0	0	0	0	114.7	T438	T438-A440 PolarHBondContact O-N 2.87Å
441	V	93.1	Very high	94.5	Very high	27 Å²	27	42.3 Å²	42.3	16%	0.164	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-26.3	177.5	-58.3	0	0	0	0	113	A439 S462 S463	A439-V441 HydrophobicContact CB-CG2 4.17Å; A439-V441 PolarHBondContact O-N 3.11Å; V441-S462 WeakPolarHBondContact CB-OG 3.49Å; V441-S462 WeakPolarHBondContact CG1-OG 3.29Å; V441-S463 VanDerWaalsContact CG1-CB 3.44Å
442	F	94.3	Very high	94.5	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.026	23%	0.232	C	C	.	.	S	Bend	trans	-90.4	112.2	-179.9	-64.6	-53.6	0	0	0	110.3	R399 H436 A439 P445 F453 E459 W460 S466 Y467	R399-F442 HydrophobicContact CG-CE2 4.11Å; R399-F442 HydrophobicContact CG-CZ 4.18Å; H436-F442 WeakPolarHBondContact O-CD2 3.29Å; A439-F442 HydrophobicContact CB-CD2 4.04Å; A439-F442 HydrophobicContact CB-CE2 4.44Å; A439-F442 PolarHBondContact O-N 3.31Å; F442-P445 HydrophobicContact CB-CB 4.28Å; F442-F453 HydrophobicContact CE1-CE1 4.36Å; F442-F453 HydrophobicContact CE1-CZ 4.15Å; F442-F453 HydrophobicContact CZ-CZ 4.4Å; F442-E459 WeakPolarHBondContact CA-OE2 3.41Å; F442-E459 HydrophobicContact CD1-CB 4.26Å; F442-W460 HydrophobicContact CE1-CB 4.08Å; F442-W460 HydrophobicContact CZ-CB 4.25Å; F442-S466 WeakPolarHBondContact CE2-O 3.35Å; F442-Y467 HydrophobicContact CZ-CD2 4.44Å
443	Q	92.3	Very high	94.5	Very high	135 Å²	135	42.3 Å²	42.3	63%	0.631	23%	0.232	S	C	*	.	S	Bend	trans	-78.3	137.2	176.5	-60	-177.8	17.8	0	0	109.9	R452 E459	Q443-R452 PolarHBondContact O-NH1 2.9Å; Q443-R452 PolarHBondContact O-NH2 3.07Å; Q443-R452 VanDerWaalsContact O-NH2 3.07Å; Q443-E459 PolarHBondContact N-OE2 2.82Å
444	S	93.8	Very high	94.6	Very high	57 Å²	57	40.5 Å²	40.5	40%	0.399	23%	0.226	S	C	.	.	S	Bend	trans	45.2	59.2	-175.6	-67.8	0	0	0	0	112.7	E446 Q447 R452	S444-E446 WeakPolarHBondContact CA-OE2 3.43Å; S444-E446 WeakPolarHBondContact CB-OE1 3.33Å; S444-E446 PolarHBondContact O-N 2.67Å; S444-Q447 PolarHBondContact O-N 2.88Å; S444-R452 PolarHBondContact O-NH2 3.22Å
445	P	93.4	Very high	94.4	Very high	32 Å²	32	45.9 Å²	45.9	21%	0.208	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.3	-171	27.3	-35.9	0	0	0	113.9	R399 E437 F442 Q447	R399-P445 PolarHBondContact NH1-O 3.01Å; R399-P445 PolarHBondContact NH2-O 2.83Å; E437-P445 WeakPolarHBondContact O-CB 3.3Å; E437-P445 WeakPolarHBondContact O-CG 3.36Å; F442-P445 HydrophobicContact CB-CB 4.28Å; P445-Q447 VanDerWaalsContact C-N 3.31Å
446	E	93.8	Very high	94.1	Very high	120 Å²	120	54.8 Å²	54.8	56%	0.561	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-14	174.1	74.2	-68.4	162.2	0	0	114.4	F400 S444	F400-E446 VanDerWaalsContact CE2-O 3.27Å; F400-E446 WeakPolarHBondContact CE2-O 3.47Å; F400-E446 WeakPolarHBondContact CZ-O 3.27Å; S444-E446 WeakPolarHBondContact CA-OE2 3.43Å; S444-E446 WeakPolarHBondContact CB-OE1 3.33Å; S444-E446 PolarHBondContact O-N 2.67Å
447	Q	96.2	Very high	93.9	Very high	106 Å²	106	59 Å²	59	50%	0.495	32%	0.319	S	S	.	.	S	Bend	trans	-97.4	136.4	178	-61.9	177.5	43.1	0	0	110.4	R399 S444 P445 D449 R452	R399-Q447 PolarHBondContact NH2-O 3.36Å; S444-Q447 PolarHBondContact O-N 2.88Å; P445-Q447 VanDerWaalsContact C-N 3.31Å; Q447-D449 PolarHBondContact O-N 3.21Å; Q447-R452 PolarHBondContact O-NH2 3.26Å
448	F	97.9	Very high	93.7	Very high	18 Å²	18	58.9 Å²	58.9	8%	0.079	32%	0.32	C	S	.	.			trans	-79	110.1	171.1	-178.8	-93.3	0	0	0	109.1	Q313 H317 V320 V393 E396 V397 F400 P450	Q313-F448 HydrophobicContact CB-CD1 4.36Å; Q313-F448 HydrophobicContact CB-CD2 4.07Å; Q313-F448 HydrophobicContact CB-CE1 4Å; Q313-F448 HydrophobicContact CB-CE2 3.68Å; Q313-F448 HydrophobicContact CB-CG 4.4Å; Q313-F448 HydrophobicContact CB-CZ 3.65Å; Q313-F448 HydrophobicContact CG-CD2 3.69Å; Q313-F448 HydrophobicContact CG-CE2 3.57Å; Q313-F448 HydrophobicContact CG-CG 4.32Å; Q313-F448 HydrophobicContact CG-CZ 4.1Å; H317-F448 AromaticContact CD2-CD1 3.41Å; H317-F448 VanDerWaalsContact CD2-CD1 3.41Å; H317-F448 WeakPolarHBondContact CD2-CD1 3.2Å; H317-F448 AromaticContact CD2-CG 3.95Å; H317-F448 AromaticContact CG-CD1 3.88Å; H317-F448 AromaticContact NE2-CD1 3.81Å; H317-F448 AromaticContact NE2-CG 3.93Å; V320-F448 HydrophobicContact CG2-CE1 4.37Å; V393-F448 HydrophobicContact CG1-CZ 4.43Å; E396-F448 HydrophobicContact CB-CD2 4.47Å; E396-F448 HydrophobicContact CB-CE2 3.93Å; E396-F448 HydrophobicContact CB-CZ 4.23Å; E396-F448 HydrophobicContact CG-CD2 3.51Å; E396-F448 HydrophobicContact CG-CE2 3.45Å; E396-F448 VanDerWaalsContact CG-CE2 3.45Å; E396-F448 HydrophobicContact CG-CG 4.09Å; E396-F448 HydrophobicContact CG-CZ 3.99Å; V397-F448 HydrophobicContact CG2-CE2 3.79Å; V397-F448 HydrophobicContact CG2-CZ 3.94Å; F400-F448 HydrophobicContact CB-CD2 4.25Å; F400-F448 HydrophobicContact CD1-CD2 4.26Å; F400-F448 HydrophobicContact CG-CD2 4.32Å; F448-P450 HydrophobicContact CD1-CG 4.4Å; F448-P450 HydrophobicContact CE1-CG 3.7Å; F448-P450 HydrophobicContact CZ-CG 4.11Å
449	D	97.7	Very high	93.6	Very high	39 Å²	39	56.5 Å²	56.5	21%	0.209	31%	0.305	C	S	.	.			trans	-144.9	93.8	-169.6	174.6	11.7	0	0	0	110.5	E396 Q447 E451 R452 R457	E396-D449 PolarHBondContact OE1-N 2.9Å; Q447-D449 PolarHBondContact O-N 3.21Å; D449-E451 VanDerWaalsContact C-N 3.27Å; D449-E451 PolarHBondContact O-N 2.82Å; D449-E451 WeakPolarHBondContact OD1-CB 3.37Å; D449-E451 PolarHBondContact OD1-N 3.04Å; D449-R452 VanDerWaalsContact O-CG 3.25Å; D449-R452 WeakPolarHBondContact O-CG 3.14Å; D449-R452 PolarHBondContact O-N 3.11Å; D449-R452 PolarHBondContact O-NE 3.1Å; D449-R452 IonicContact OD2-NH2 3.6Å; D449-R457 IonicContact OD1-CZ 2.92Å; D449-R457 IonicContact OD1-NH2 3.99Å; D449-R457 PolarHBondContact OD1-NH2 2.98Å; D449-R457 IonicContact OD2-CZ 3.96Å; D449-R457 IonicContact OD2-NH1 2.63Å; D449-R457 PolarHBondContact OD2-NH1 3.22Å; D449-R457 IonicContact OD2-NH2 3.3Å; D449-R457 PolarHBondContact OD2-NH2 3.02Å
450	P	98.2	Very high	93.2	Very high	4 Å²	4	59.2 Å²	59.2	3%	0.026	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-59.9	-32.4	179.8	-27.8	37.2	0	0	0	114.2	V320 Y389 C392 V393 E396 F448 R452 F453	V320-P450 HydrophobicContact CG1-CG 3.99Å; V320-P450 HydrophobicContact CG2-CG 4.01Å; Y389-P450 HydrophobicContact CE2-CB 3.97Å; C392-P450 HydrophobicContact CB-CB 4.24Å; C392-P450 WeakPolarHBondContact CB-O 3.48Å; V393-P450 HydrophobicContact CG2-CB 3.92Å; V393-P450 HydrophobicContact CG2-CG 3.88Å; E396-P450 HydrophobicContact CB-CG 4.49Å; F448-P450 HydrophobicContact CD1-CG 4.4Å; F448-P450 HydrophobicContact CE1-CG 3.7Å; F448-P450 HydrophobicContact CZ-CG 4.11Å; P450-R452 PolarHBondContact O-N 2.97Å; P450-F453 PolarHBondContact O-N 2.9Å
451	E	96.4	Very high	92.8	Very high	60 Å²	60	62.2 Å²	62.2	28%	0.28	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-60.2	-16.1	-174.7	-60.8	-62.1	153.5	0	0	112.5	K323 Y389 D449 F453 G454 R457	K323-E451 WeakPolarHBondContact CD-OE1 3.35Å; K323-E451 WeakPolarHBondContact CE-OE1 3.02Å; K323-E451 VanDerWaalsContact NZ-CD 3.27Å; K323-E451 IonicContact NZ-OE1 3.02Å; K323-E451 PolarHBondContact NZ-OE1 3.08Å; K323-E451 IonicContact NZ-OE2 3.29Å; K323-E451 PolarHBondContact NZ-OE2 2.9Å; Y389-E451 WeakPolarHBondContact CE2-OE1 3.36Å; D449-E451 VanDerWaalsContact C-N 3.27Å; D449-E451 PolarHBondContact O-N 2.82Å; D449-E451 WeakPolarHBondContact OD1-CB 3.37Å; D449-E451 PolarHBondContact OD1-N 3.04Å; E451-F453 PolarHBondContact O-N 2.94Å; E451-G454 PolarHBondContact O-N 3.26Å; E451-R457 PolarHBondContact O-NE 3.47Å
452	R	95.6	Very high	92.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-66.1	-23	176.7	77.9	176.8	64	-103.7	8.8	113.6	E396 Q443 S444 Q447 D449 P450 E459	E396-R452 IonicContact OE1-CZ 3.97Å; E396-R452 IonicContact OE1-NE 3.75Å; E396-R452 PolarHBondContact OE1-NE 3.38Å; E396-R452 VanDerWaalsContact OE1-NE 3.11Å; E396-R452 IonicContact OE1-NH2 2.91Å; E396-R452 WeakPolarHBondContact OE2-CD 3.24Å; E396-R452 IonicContact OE2-NE 3.74Å; E396-R452 PolarHBondContact OE2-NE 3.32Å; Q443-R452 PolarHBondContact O-NH1 2.9Å; Q443-R452 PolarHBondContact O-NH2 3.07Å; Q443-R452 VanDerWaalsContact O-NH2 3.07Å; S444-R452 PolarHBondContact O-NH2 3.22Å; Q447-R452 PolarHBondContact O-NH2 3.26Å; D449-R452 VanDerWaalsContact O-CG 3.25Å; D449-R452 WeakPolarHBondContact O-CG 3.14Å; D449-R452 PolarHBondContact O-N 3.11Å; D449-R452 PolarHBondContact O-NE 3.1Å; D449-R452 IonicContact OD2-NH2 3.6Å; P450-R452 PolarHBondContact O-N 2.97Å; R452-E459 HydrophobicContact CB-CG 4.26Å; R452-E459 IonicContact CZ-OE2 3.06Å; R452-E459 IonicContact NH1-OE1 2.85Å; R452-E459 IonicContact NH1-OE2 2.74Å; R452-E459 PolarHBondContact NH1-OE2 3.04Å; R452-E459 PolarHBondContact O-N 3.06Å
453	F	96.4	Very high	91.6	Very high	8 Å²	8	66.4 Å²	66.4	4%	0.035	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-95.5	-4.8	174.7	-66.3	-77.3	0	0	0	112.8	C392 K395 E396 R399 F442 P450 E451 W460 Y467	C392-F453 HydrophobicContact CB-CB 4.02Å; K395-F453 HydrophobicContact CB-CB 4.33Å; K395-F453 HydrophobicContact CB-CD1 3.83Å; K395-F453 HydrophobicContact CB-CD2 3.67Å; K395-F453 HydrophobicContact CB-CE1 3.99Å; K395-F453 HydrophobicContact CB-CE2 3.85Å; K395-F453 HydrophobicContact CB-CG 3.67Å; K395-F453 HydrophobicContact CB-CZ 4.01Å; K395-F453 HydrophobicContact CD-CB 4.03Å; K395-F453 HydrophobicContact CD-CD1 3.78Å; K395-F453 HydrophobicContact CD-CE1 4.45Å; K395-F453 HydrophobicContact CD-CG 3.96Å; K395-F453 HydrophobicContact CG-CD1 4.34Å; K395-F453 HydrophobicContact CG-CG 4.47Å; E396-F453 HydrophobicContact CB-CD2 4.11Å; E396-F453 HydrophobicContact CB-CE2 3.96Å; E396-F453 VanDerWaalsContact OE2-CE2 3.28Å; E396-F453 WeakPolarHBondContact OE2-CE2 3.5Å; R399-F453 HydrophobicContact CB-CE2 4.27Å; R399-F453 HydrophobicContact CB-CZ 4.03Å; R399-F453 HydrophobicContact CG-CZ 4.4Å; F442-F453 HydrophobicContact CE1-CE1 4.36Å; F442-F453 HydrophobicContact CE1-CZ 4.15Å; F442-F453 HydrophobicContact CZ-CZ 4.4Å; P450-F453 PolarHBondContact O-N 2.9Å; E451-F453 PolarHBondContact O-N 2.94Å; F453-W460 HydrophobicContact CD1-CB 4.04Å; F453-W460 AromaticContact CD1-CD1 3.49Å; F453-W460 VanDerWaalsContact CD1-CD1 3.49Å; F453-W460 AromaticContact CD1-CG 3.75Å; F453-W460 HydrophobicContact CD1-CG 3.75Å; F453-W460 HydrophobicContact CE1-CB 3.68Å; F453-W460 AromaticContact CE1-CG 3.85Å; F453-W460 HydrophobicContact CE1-CG 3.85Å; F453-Y467 AromaticContact CE1-CD2 3.95Å; F453-Y467 HydrophobicContact CE1-CD2 3.95Å; F453-Y467 HydrophobicContact CE1-CE2 4.06Å; F453-Y467 HydrophobicContact CE1-CG 4.21Å; F453-Y467 AromaticContact CZ-CD2 3.84Å; F453-Y467 HydrophobicContact CZ-CD2 3.84Å; F453-Y467 AromaticContact CZ-CE2 3.8Å; F453-Y467 HydrophobicContact CZ-CE2 3.8Å
454	G	94.5	Very high	91.4	Very high	3 Å²	3	67.8 Å²	67.8	3%	0.031	33%	0.332	C	S	.	.	S	Bend	trans	-70.3	162.2	176.9	0	0	0	0	0	112.4	E451 E456 R457 D458	E451-G454 PolarHBondContact O-N 3.26Å; G454-E456 PolarHBondContact O-N 3.46Å; G454-R457 PolarHBondContact O-N 2.66Å; G454-D458 WeakPolarHBondContact O-CA 3.34Å; G454-D458 PolarHBondContact O-N 3.42Å
455	P	89.3	Confident	91.4	Very high	119 Å²	119	67 Å²	67	77%	0.773	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-24	-174.8	26	-35.1	0	0	0	114
456	E	89.6	Confident	91.5	Very high	187 Å²	187	65.7 Å²	65.7	87%	0.874	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-35.9	-178.6	-63.3	-175.8	176.6	0	0	113.1	G454	G454-E456 PolarHBondContact O-N 3.46Å
457	R	91.3	Very high	91.6	Very high	90 Å²	90	61.6 Å²	61.6	34%	0.34	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-43	-178.8	-71	-163.4	-68.6	174.1	-23.3	113.9	D449 E451 G454 E459	D449-R457 IonicContact OD1-CZ 2.92Å; D449-R457 IonicContact OD1-NH2 3.99Å; D449-R457 PolarHBondContact OD1-NH2 2.98Å; D449-R457 IonicContact OD2-CZ 3.96Å; D449-R457 IonicContact OD2-NH1 2.63Å; D449-R457 PolarHBondContact OD2-NH1 3.22Å; D449-R457 IonicContact OD2-NH2 3.3Å; D449-R457 PolarHBondContact OD2-NH2 3.02Å; E451-R457 PolarHBondContact O-NE 3.47Å; G454-R457 PolarHBondContact O-N 2.66Å; R457-E459 HydrophobicContact CB-CG 4.05Å; R457-E459 IonicContact CZ-OE1 3.53Å; R457-E459 IonicContact NE-OE1 3.41Å; R457-E459 IonicContact NH1-OE1 2.77Å; R457-E459 PolarHBondContact NH1-OE1 3.39Å; R457-E459 PolarHBondContact O-N 3.32Å
458	D	87.6	Confident	91.6	Very high	49 Å²	49	56.9 Å²	56.9	26%	0.262	27%	0.271	S	S	.	.			trans	42.4	38.9	176.2	-153.4	19.1	0	0	0	113.9	G454 W460 R461	G454-D458 WeakPolarHBondContact O-CA 3.34Å; G454-D458 PolarHBondContact O-N 3.42Å; D458-W460 PolarHBondContact O-N 3.3Å; D458-W460 PolarHBondContact OD1-NE1 3.43Å; D458-R461 PolarHBondContact O-N 3.14Å; D458-R461 WeakPolarHBondContact OD1-CG 3.2Å; D458-R461 IonicContact OD1-NE 3.87Å; D458-R461 PolarHBondContact OD1-NE 3.41Å; D458-R461 WeakPolarHBondContact OD2-CD 3.34Å; D458-R461 WeakPolarHBondContact OD2-CG 3.48Å; D458-R461 IonicContact OD2-CZ 3.3Å; D458-R461 IonicContact OD2-NE 2.62Å; D458-R461 PolarHBondContact OD2-NE 3.08Å
459	E	90.1	Very high	91.6	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.047	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-56.8	-37.3	-163.9	-69	179.7	-169.7	0	0	111.8	F442 Q443 R452 R457 R461 S462	F442-E459 WeakPolarHBondContact CA-OE2 3.41Å; F442-E459 HydrophobicContact CD1-CB 4.26Å; Q443-E459 PolarHBondContact N-OE2 2.82Å; R452-E459 HydrophobicContact CB-CG 4.26Å; R452-E459 IonicContact CZ-OE2 3.06Å; R452-E459 IonicContact NH1-OE1 2.85Å; R452-E459 IonicContact NH1-OE2 2.74Å; R452-E459 PolarHBondContact NH1-OE2 3.04Å; R452-E459 PolarHBondContact O-N 3.06Å; R457-E459 HydrophobicContact CB-CG 4.05Å; R457-E459 IonicContact CZ-OE1 3.53Å; R457-E459 IonicContact NE-OE1 3.41Å; R457-E459 IonicContact NH1-OE1 2.77Å; R457-E459 PolarHBondContact NH1-OE1 3.39Å; R457-E459 PolarHBondContact O-N 3.32Å; E459-R461 VanDerWaalsContact C-N 3.27Å; E459-R461 PolarHBondContact O-N 3.42Å; E459-S462 PolarHBondContact O-N 3.34Å; E459-S462 PolarHBondContact O-OG 2.79Å
460	W	84.6	Confident	91.6	Very high	67 Å²	67	56.8 Å²	56.8	25%	0.254	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-65.7	-22.5	-176.7	74.8	-74.7	0	0	0	114.3	F442 F453 D458	F442-W460 HydrophobicContact CE1-CB 4.08Å; F442-W460 HydrophobicContact CZ-CB 4.25Å; F453-W460 HydrophobicContact CD1-CB 4.04Å; F453-W460 AromaticContact CD1-CD1 3.49Å; F453-W460 VanDerWaalsContact CD1-CD1 3.49Å; F453-W460 AromaticContact CD1-CG 3.75Å; F453-W460 HydrophobicContact CD1-CG 3.75Å; F453-W460 HydrophobicContact CE1-CB 3.68Å; F453-W460 AromaticContact CE1-CG 3.85Å; F453-W460 HydrophobicContact CE1-CG 3.85Å; D458-W460 PolarHBondContact O-N 3.3Å; D458-W460 PolarHBondContact OD1-NE1 3.43Å
461	R	83.6	Confident	91.4	Very high	169 Å²	169	57.5 Å²	57.5	64%	0.638	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-80.1	-21.3	179.8	-68.8	-159	-162.4	-132.6	-3.4	113.8	D458 E459 S463	D458-R461 PolarHBondContact O-N 3.14Å; D458-R461 WeakPolarHBondContact OD1-CG 3.2Å; D458-R461 IonicContact OD1-NE 3.87Å; D458-R461 PolarHBondContact OD1-NE 3.41Å; D458-R461 WeakPolarHBondContact OD2-CD 3.34Å; D458-R461 WeakPolarHBondContact OD2-CG 3.48Å; D458-R461 IonicContact OD2-CZ 3.3Å; D458-R461 IonicContact OD2-NE 2.62Å; D458-R461 PolarHBondContact OD2-NE 3.08Å; E459-R461 VanDerWaalsContact C-N 3.27Å; E459-R461 PolarHBondContact O-N 3.42Å; R461-S463 PolarHBondContact O-N 3.18Å
462	S	78.4	Confident	91.4	Very high	89 Å²	89	55 Å²	55	62%	0.622	27%	0.268	S	S	*	.	S	Bend	trans	-66	-20.3	-177.5	66.8	0	0	0	0	113.3	V441 E459	V441-S462 WeakPolarHBondContact CB-OG 3.49Å; V441-S462 WeakPolarHBondContact CG1-OG 3.29Å; E459-S462 PolarHBondContact O-N 3.34Å; E459-S462 PolarHBondContact O-OG 2.79Å
463	S	83.6	Confident	91.3	Very high	33 Å²	33	56.1 Å²	56.1	23%	0.231	28%	0.28	C	S	.	.	S	Bend	trans	-142.8	129.5	177.1	174.5	0	0	0	0	112	V441 R461 S466	V441-S463 VanDerWaalsContact CG1-CB 3.44Å; R461-S463 PolarHBondContact O-N 3.18Å; S463-S466 WeakPolarHBondContact CB-OG 3.01Å; S463-S466 PolarHBondContact OG-OG 3.45Å
464	R	88.4	Confident	91.3	Very high	164 Å²	164	59 Å²	59	62%	0.619	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	144.8	174.3	-59.6	-170.4	-63.5	-153.3	-5.7	109.7	S466	R464-S466 PolarHBondContact O-N 2.62Å; R464-S466 VanDerWaalsContact O-N 3.14Å
465	F	93.8	Very high	91.3	Very high	41 Å²	41	60.7 Å²	60.7	18%	0.18	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	9.4	177.5	-68.5	-103	0	0	0	116	A100 R104 L107 L108 Y467 V468	A100-F465 HydrophobicContact CB-CB 4.42Å; R104-F465 HydrophobicContact CB-CB 3.96Å; R104-F465 HydrophobicContact CB-CD1 3.94Å; R104-F465 HydrophobicContact CB-CD2 3.7Å; R104-F465 HydrophobicContact CB-CE1 4.37Å; R104-F465 HydrophobicContact CB-CE2 4.17Å; R104-F465 HydrophobicContact CB-CG 3.6Å; R104-F465 HydrophobicContact CB-CZ 4.48Å; R104-F465 HydrophobicContact CG-CD1 4.38Å; R104-F465 HydrophobicContact CG-CD2 3.52Å; R104-F465 HydrophobicContact CG-CE1 4.41Å; R104-F465 HydrophobicContact CG-CE2 3.59Å; R104-F465 HydrophobicContact CG-CG 3.96Å; R104-F465 HydrophobicContact CG-CZ 4.05Å; L107-F465 HydrophobicContact CB-CE1 4.18Å; L107-F465 HydrophobicContact CD1-CD1 4.05Å; L107-F465 HydrophobicContact CD1-CE1 4.03Å; L108-F465 HydrophobicContact CD1-CE2 4.27Å; L108-F465 HydrophobicContact CD1-CZ 4.1Å; L108-F465 HydrophobicContact CD2-CZ 3.87Å; L108-F465 HydrophobicContact CG-CZ 3.87Å; F465-Y467 VanDerWaalsContact C-N 3.34Å; F465-V468 HydrophobicContact CB-CG1 3.95Å; F465-V468 HydrophobicContact CD1-CG1 3.75Å; F465-V468 HydrophobicContact CG-CG1 4.15Å; F465-V468 WeakPolarHBondContact O-CG1 3.13Å
466	S	94.4	Very high	91.6	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.021	28%	0.278	C	S	.	.	S	Bend	trans	-73.2	-28.9	167.8	-64.5	0	0	0	0	112.3	H436 F442 S463 R464	H436-S466 PolarHBondContact CD2-O 2.87Å; H436-S466 VanDerWaalsContact CD2-O 3.23Å; F442-S466 WeakPolarHBondContact CE2-O 3.35Å; S463-S466 WeakPolarHBondContact CB-OG 3.01Å; S463-S466 PolarHBondContact OG-OG 3.45Å; R464-S466 PolarHBondContact O-N 2.62Å; R464-S466 VanDerWaalsContact O-N 3.14Å
467	Y	96.5	Very high	92	Very high	35 Å²	35	50.1 Å²	50.1	14%	0.137	25%	0.253	C	S	.	.			trans	-115	106.6	172.2	-176.4	-110.4	0	0	0	110.1	K395 R399 F442 F453 F465 P469	K395-Y467 VanDerWaalsContact CA-OH 3.3Å; K395-Y467 WeakPolarHBondContact CA-OH 3.39Å; K395-Y467 HydrophobicContact CG-CE1 4.42Å; K395-Y467 WeakPolarHBondContact O-CE2 3.48Å; K395-Y467 PolarHBondContact O-OH 2.82Å; R399-Y467 HydrophobicContact CB-CD2 4.17Å; R399-Y467 HydrophobicContact CB-CE2 3.91Å; R399-Y467 HydrophobicContact CG-CD2 4.35Å; F442-Y467 HydrophobicContact CZ-CD2 4.44Å; F453-Y467 AromaticContact CE1-CD2 3.95Å; F453-Y467 HydrophobicContact CE1-CD2 3.95Å; F453-Y467 HydrophobicContact CE1-CE2 4.06Å; F453-Y467 HydrophobicContact CE1-CG 4.21Å; F453-Y467 AromaticContact CZ-CD2 3.84Å; F453-Y467 HydrophobicContact CZ-CD2 3.84Å; F453-Y467 AromaticContact CZ-CE2 3.8Å; F453-Y467 HydrophobicContact CZ-CE2 3.8Å; F465-Y467 VanDerWaalsContact C-N 3.34Å; Y467-P469 HydrophobicContact CD1-CG 4.35Å; Y467-P469 HydrophobicContact CD2-CG 4.35Å; Y467-P469 HydrophobicContact CE1-CG 3.76Å; Y467-P469 HydrophobicContact CE2-CG 3.73Å; Y467-P469 VanDerWaalsContact CZ-CG 3.42Å
468	V	96.7	Very high	92.2	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.042	25%	0.248	C	C	.	.			trans	-139.7	44	-173.9	-67.9	0	0	0	0	113.7	I432 H436 F465 F470 G471	I432-V468 WeakPolarHBondContact CD1-O 3.37Å; I432-V468 HydrophobicContact CG1-CG2 4.25Å; I432-V468 HydrophobicContact CG2-CG2 4.31Å; I432-V468 WeakPolarHBondContact CG2-O 3.5Å; H436-V468 PolarHBondContact NE2-N 3.19Å; F465-V468 HydrophobicContact CB-CG1 3.95Å; F465-V468 HydrophobicContact CD1-CG1 3.75Å; F465-V468 HydrophobicContact CG-CG1 4.15Å; F465-V468 WeakPolarHBondContact O-CG1 3.13Å; V468-F470 PolarHBondContact O-N 3.23Å; V468-F470 VanDerWaalsContact O-N 3.08Å; V468-G471 PolarHBondContact O-N 2.94Å
469	P	96.8	Very high	92.6	Very high	13 Å²	13	45.9 Å²	45.9	8%	0.084	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.3	-179.5	25.6	-33.7	0	0	0	113.3	L398 Y467	L398-P469 HydrophobicContact CB-CB 3.92Å; L398-P469 HydrophobicContact CB-CG 4.11Å; Y467-P469 HydrophobicContact CD1-CG 4.35Å; Y467-P469 HydrophobicContact CD2-CG 4.35Å; Y467-P469 HydrophobicContact CE1-CG 3.76Å; Y467-P469 HydrophobicContact CE2-CG 3.73Å; Y467-P469 VanDerWaalsContact CZ-CG 3.42Å
470	F	97.1	Very high	93	Very high	42 Å²	42	49.4 Å²	49.4	18%	0.184	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	14.8	177.4	-61.8	-73.6	0	0	0	113.4	L398 V468 S476 C477 K480 A483 H484	L398-F470 HydrophobicContact CD1-CE2 3.69Å; L398-F470 HydrophobicContact CD1-CZ 3.6Å; V468-F470 PolarHBondContact O-N 3.23Å; V468-F470 VanDerWaalsContact O-N 3.08Å; F470-S476 WeakPolarHBondContact O-CA 3.49Å; F470-C477 HydrophobicContact CB-CB 3.77Å; F470-C477 HydrophobicContact CD1-CB 3.71Å; F470-C477 HydrophobicContact CG-CB 4.18Å; F470-C477 PolarHBondContact O-N 3.48Å; F470-K480 HydrophobicContact CB-CB 4.26Å; F470-K480 HydrophobicContact CD1-CB 3.66Å; F470-K480 HydrophobicContact CD2-CB 4.15Å; F470-K480 HydrophobicContact CE1-CB 3.99Å; F470-K480 HydrophobicContact CE2-CB 4.48Å; F470-K480 HydrophobicContact CG-CB 3.73Å; F470-K480 HydrophobicContact CZ-CB 4.38Å; F470-A483 HydrophobicContact CE1-CB 4.03Å; F470-A483 HydrophobicContact CZ-CB 4.34Å; F470-H484 AromaticContact CD2-CE1 3.98Å; F470-H484 AromaticContact CE2-CE1 3.1Å; F470-H484 WeakPolarHBondContact CE2-CE1 3.33Å; F470-H484 AromaticContact CE2-ND1 3.96Å; F470-H484 AromaticContact CE2-NE2 3.58Å; F470-H484 AromaticContact CZ-CE1 3.48Å; F470-H484 VanDerWaalsContact CZ-CE1 3.48Å; F470-H484 WeakPolarHBondContact CZ-CE1 3.4Å; F470-H484 AromaticContact CZ-ND1 3.9Å
471	G	95.7	Very high	93.6	Very high	18 Å²	18	50.1 Å²	50.1	19%	0.186	26%	0.263	C	S	.	.			trans	66.7	-142.6	-172.7	0	0	0	0	0	112.2	V468	V468-G471 PolarHBondContact O-N 2.94Å
472	G	94.8	Very high	94.2	Very high	7 Å²	7	42.4 Å²	42.4	7%	0.072	23%	0.234	C	C	.	.			trans	-175.8	174.5	-172.3	0	0	0	0	0	113.3	S476	G472-S476 PolarHBondContact O-N 2.99Å
473	G	94.8	Very high	95.2	Very high	25 Å²	25	38.8 Å²	38.8	26%	0.258	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	62.3	-151.8	-176.7	0	0	0	0	0	113	R475 S476	G473-R475 PolarHBondContact O-N 3.43Å; G473-R475 VanDerWaalsContact O-N 3.15Å; G473-S476 WeakPolarHBondContact O-CB 3.36Å; G473-S476 PolarHBondContact O-N 3.42Å; G473-S476 VanDerWaalsContact O-N 3.13Å; G473-S476 PolarHBondContact O-OG 2.68Å
474	V	95.1	Very high	95.9	Very high	69 Å²	69	38.6 Å²	38.6	42%	0.418	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-66.7	-15.1	-177	-56.8	0	0	0	0	113.3	E110 H139 R143	E110-V474 HydrophobicContact CB-CG2 3.71Å; E110-V474 HydrophobicContact CG-CG2 3.6Å; H139-V474 PolarHBondContact CE1-O 2.85Å; H139-V474 VanDerWaalsContact CE1-O 3.25Å; R143-V474 VanDerWaalsContact CD-O 3.3Å; R143-V474 WeakPolarHBondContact CD-O 3.47Å; R143-V474 VanDerWaalsContact CZ-O 3.22Å; R143-V474 PolarHBondContact NE-O 3.4Å; R143-V474 PolarHBondContact NH1-O 3.49Å; R143-V474 VanDerWaalsContact NH1-O 3.13Å
475	R	95.4	Very high	96.4	Very high	37 Å²	37	31.5 Å²	31.5	14%	0.14	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-104.1	10.3	178.2	-66	-82.4	-169.5	-170	3.9	113.1	E110 T116 L131 S134 H139 G473	E110-R475 HydrophobicContact CB-CG 4.5Å; E110-R475 HydrophobicContact CG-CG 3.68Å; E110-R475 IonicContact OE1-CZ 2.85Å; E110-R475 IonicContact OE1-NE 2.71Å; E110-R475 PolarHBondContact OE1-NE 3.05Å; E110-R475 IonicContact OE1-NH2 2.7Å; E110-R475 PolarHBondContact OE1-NH2 3.35Å; T116-R475 PolarHBondContact OG1-NE 3.19Å; L131-R475 PolarHBondContact O-NH1 3.39Å; S134-R475 VanDerWaalsContact O-CZ 3.26Å; S134-R475 PolarHBondContact O-NH1 2.83Å; S134-R475 PolarHBondContact O-NH2 3.16Å; H139-R475 PolarHBondContact CD2-NH1 3.37Å; H139-R475 PolarHBondContact NE2-NH1 2.88Å; G473-R475 PolarHBondContact O-N 3.43Å; G473-R475 VanDerWaalsContact O-N 3.15Å
476	S	96.2	Very high	96.6	Very high	32 Å²	32	29.7 Å²	29.7	22%	0.224	17%	0.171	C	C	.	.	S	Bend	trans	-52.8	145	172.3	47.4	0	0	0	0	110.7	R143 F470 G472 G473 V478	R143-S476 PolarHBondContact NH1-O 2.97Å; R143-S476 PolarHBondContact NH2-O 3.46Å; R143-S476 PolarHBondContact NH2-OG 3.02Å; F470-S476 WeakPolarHBondContact O-CA 3.49Å; G472-S476 PolarHBondContact O-N 2.99Å; G473-S476 WeakPolarHBondContact O-CB 3.36Å; G473-S476 PolarHBondContact O-N 3.42Å; G473-S476 VanDerWaalsContact O-N 3.13Å; G473-S476 PolarHBondContact O-OG 2.68Å; S476-V478 PolarHBondContact O-N 3.39Å
477	C	97.3	Very high	96.8	Very high	53 Å²	53	29.6 Å²	29.6	36%	0.358	17%	0.171	S	C	.	.			trans	-55.1	127.3	-178.2	-175.5	0	0	0	0	110.8	F470 K480	F470-C477 HydrophobicContact CB-CB 3.77Å; F470-C477 HydrophobicContact CD1-CB 3.71Å; F470-C477 HydrophobicContact CG-CB 4.18Å; F470-C477 PolarHBondContact O-N 3.48Å; C477-K480 HydrophobicContact CB-CB 4.22Å
478	V	95.8	Very high	96.9	Very high	37 Å²	37	28.6 Å²	28.6	22%	0.224	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-33.9	179.3	69.5	0	0	0	0	111.5	L146 A147 F150 S476 K480	L146-V478 HydrophobicContact CB-CG2 4.46Å; A147-V478 HydrophobicContact CB-CG2 4.43Å; F150-V478 HydrophobicContact CD2-CB 4.35Å; F150-V478 HydrophobicContact CD2-CG1 4.06Å; F150-V478 HydrophobicContact CD2-CG2 3.74Å; F150-V478 HydrophobicContact CE2-CB 4.45Å; F150-V478 HydrophobicContact CE2-CG1 3.67Å; F150-V478 HydrophobicContact CE2-CG2 4.16Å; F150-V478 HydrophobicContact CZ-CG1 4.43Å; S476-V478 PolarHBondContact O-N 3.39Å; V478-K480 VanDerWaalsContact C-N 3.34Å; V478-K480 PolarHBondContact O-N 2.91Å
479	G	96.1	Very high	97	Very high	13 Å²	13	28.3 Å²	28.3	13%	0.134	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	21.5	178.7	0	0	0	0	0	114.6	E481 L482 A483	G479-E481 VanDerWaalsContact C-N 3.32Å; G479-E481 PolarHBondContact O-N 2.89Å; G479-L482 PolarHBondContact O-N 2.7Å; G479-A483 PolarHBondContact O-N 2.97Å
480	K	97.2	Very high	97.1	Very high	83 Å²	83	27.7 Å²	27.7	36%	0.361	16%	0.162	S	C	.	.	H	α-helix	trans	-59.4	-40.7	-175.3	68.8	-175	176.1	90.8	0	112.7	F470 C477 V478 A483 H484	F470-K480 HydrophobicContact CB-CB 4.26Å; F470-K480 HydrophobicContact CD1-CB 3.66Å; F470-K480 HydrophobicContact CD2-CB 4.15Å; F470-K480 HydrophobicContact CE1-CB 3.99Å; F470-K480 HydrophobicContact CE2-CB 4.48Å; F470-K480 HydrophobicContact CG-CB 3.73Å; F470-K480 HydrophobicContact CZ-CB 4.38Å; C477-K480 HydrophobicContact CB-CB 4.22Å; V478-K480 VanDerWaalsContact C-N 3.34Å; V478-K480 PolarHBondContact O-N 2.91Å; K480-A483 PolarHBondContact O-N 2.76Å; K480-H484 PolarHBondContact O-N 3.15Å; K480-H484 VanDerWaalsContact O-N 3.15Å; K480-H484 PolarHBondContact O-ND1 2.94Å
481	E	97.5	Very high	97.1	Very high	82 Å²	82	25.8 Å²	25.8	38%	0.383	15%	0.154	S	C	.	.	H	α-helix	trans	-69	-42.3	-178.8	-58.7	-52.1	140	0	0	111	L155 G479 A483 H484 I485	L155-E481 HydrophobicContact CD1-CB 3.48Å; L155-E481 VanDerWaalsContact CD1-CB 3.48Å; L155-E481 HydrophobicContact CD1-CG 4.44Å; G479-E481 VanDerWaalsContact C-N 3.32Å; G479-E481 PolarHBondContact O-N 2.89Å; E481-A483 VanDerWaalsContact C-N 3.31Å; E481-A483 PolarHBondContact O-N 3.35Å; E481-H484 PolarHBondContact O-N 3.12Å; E481-I485 WeakPolarHBondContact O-CG1 3.42Å; E481-I485 PolarHBondContact O-N 3.19Å
482	L	97.5	Very high	97.3	Very high	7 Å²	7	25 Å²	25	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-58	-43.3	173.2	-178.7	66.4	0	0	0	111.8	F150 L155 Y158 L162 L198 G479 H484 I485 I486	F150-L482 HydrophobicContact CD1-CB 4.07Å; F150-L482 HydrophobicContact CD1-CD2 4.19Å; F150-L482 HydrophobicContact CE1-CB 4.38Å; F150-L482 HydrophobicContact CE1-CD2 3.78Å; L155-L482 HydrophobicContact CD2-CB 3.81Å; L155-L482 HydrophobicContact CD2-CD1 3.92Å; L155-L482 HydrophobicContact CD2-CG 4.43Å; Y158-L482 HydrophobicContact CD2-CD1 4.49Å; L162-L482 HydrophobicContact CD1-CD1 3.83Å; L198-L482 HydrophobicContact CD1-CD2 3.93Å; L198-L482 HydrophobicContact CD2-CD2 3.76Å; L198-L482 HydrophobicContact CG-CD2 4.31Å; G479-L482 PolarHBondContact O-N 2.7Å; L482-H484 VanDerWaalsContact C-N 3.35Å; L482-H484 PolarHBondContact O-N 2.81Å; L482-I485 PolarHBondContact O-N 2.98Å; L482-I486 HydrophobicContact CD1-CD1 4.34Å; L482-I486 HydrophobicContact CD1-CG1 4.43Å; L482-I486 HydrophobicContact CG-CD1 3.98Å; L482-I486 HydrophobicContact CG-CG1 4.46Å; L482-I486 WeakPolarHBondContact O-CG1 3.16Å; L482-I486 PolarHBondContact O-N 3.25Å
483	A	98.1	Very high	97.4	Very high	14 Å²	14	24.8 Å²	24.8	12%	0.116	14%	0.142	C	C	.	.	H	α-helix	trans	-61.5	-41.7	177.8	0	0	0	0	0	112.1	F470 G479 K480 E481 I486 L487	F470-A483 HydrophobicContact CE1-CB 4.03Å; F470-A483 HydrophobicContact CZ-CB 4.34Å; G479-A483 PolarHBondContact O-N 2.97Å; K480-A483 PolarHBondContact O-N 2.76Å; E481-A483 VanDerWaalsContact C-N 3.31Å; E481-A483 PolarHBondContact O-N 3.35Å; A483-I486 PolarHBondContact O-N 2.94Å; A483-L487 VanDerWaalsContact O-CG 3.24Å; A483-L487 WeakPolarHBondContact O-CG 3.36Å; A483-L487 PolarHBondContact O-N 3.5Å
484	H	98.5	Very high	97.4	Very high	28 Å²	28	23.6 Å²	23.6	13%	0.13	13%	0.13	C	C	.	.	H	α-helix	trans	-63.5	-43.6	174	-69.3	93	0	0	0	111.4	F470 K480 E481 L482 I486 L487 K488	F470-H484 AromaticContact CD2-CE1 3.98Å; F470-H484 AromaticContact CE2-CE1 3.1Å; F470-H484 WeakPolarHBondContact CE2-CE1 3.33Å; F470-H484 AromaticContact CE2-ND1 3.96Å; F470-H484 AromaticContact CE2-NE2 3.58Å; F470-H484 AromaticContact CZ-CE1 3.48Å; F470-H484 VanDerWaalsContact CZ-CE1 3.48Å; F470-H484 WeakPolarHBondContact CZ-CE1 3.4Å; F470-H484 AromaticContact CZ-ND1 3.9Å; K480-H484 PolarHBondContact O-N 3.15Å; K480-H484 VanDerWaalsContact O-N 3.15Å; K480-H484 PolarHBondContact O-ND1 2.94Å; E481-H484 PolarHBondContact O-N 3.12Å; L482-H484 VanDerWaalsContact C-N 3.35Å; L482-H484 PolarHBondContact O-N 2.81Å; H484-I486 PolarHBondContact O-N 3.48Å; H484-L487 PolarHBondContact O-N 3.44Å; H484-K488 WeakPolarHBondContact O-CB 3.27Å; H484-K488 VanDerWaalsContact O-CG 3.24Å; H484-K488 WeakPolarHBondContact O-CG 3.36Å; H484-K488 PolarHBondContact O-N 2.68Å
485	I	98.5	Very high	97.5	Very high	15 Å²	15	20.5 Å²	20.5	8%	0.077	11%	0.111	C	C	.	.	H	α-helix	trans	-57.6	-50.4	177	-69.5	161.4	0	0	0	110.4	L155 L159 L162 L381 L384 E481 L482 L487 K488 T489	L155-I485 HydrophobicContact CB-CD1 3.79Å; L155-I485 HydrophobicContact CD1-CD1 3.97Å; L155-I485 HydrophobicContact CD2-CD1 4.19Å; L155-I485 HydrophobicContact CG-CD1 4.2Å; L159-I485 HydrophobicContact CD1-CG2 3.71Å; L162-I485 HydrophobicContact CD1-CG2 4.08Å; L162-I485 HydrophobicContact CD2-CG2 4.46Å; L381-I485 HydrophobicContact CD2-CD1 3.45Å; L381-I485 VanDerWaalsContact CD2-CD1 3.45Å; L381-I485 HydrophobicContact CD2-CG1 3.89Å; L384-I485 HydrophobicContact CD1-CG1 4.33Å; L384-I485 HydrophobicContact CD1-CG2 4.03Å; E481-I485 WeakPolarHBondContact O-CG1 3.42Å; E481-I485 PolarHBondContact O-N 3.19Å; L482-I485 PolarHBondContact O-N 2.98Å; I485-L487 VanDerWaalsContact C-N 3.32Å; I485-L487 PolarHBondContact O-N 2.86Å; I485-K488 PolarHBondContact O-N 2.82Å; I485-T489 WeakPolarHBondContact O-CB 3.16Å; I485-T489 PolarHBondContact O-N 3.36Å; I485-T489 PolarHBondContact O-OG1 3.48Å
486	I	98.6	Very high	97.4	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.015	11%	0.11	C	C	.	.	H	α-helix	trans	-57.1	-46.4	178.5	-66	168	0	0	0	111.2	L162 I193 T303 L482 A483 H484 L490	L162-I486 HydrophobicContact CD1-CD1 4.45Å; L162-I486 HydrophobicContact CD1-CG1 3.6Å; L162-I486 HydrophobicContact CD2-CG1 4.34Å; L162-I486 HydrophobicContact CG-CG1 4.22Å; I193-I486 HydrophobicContact CD1-CD1 4.38Å; I193-I486 HydrophobicContact CD1-CG1 4.37Å; I193-I486 HydrophobicContact CD1-CG2 4.18Å; I193-I486 HydrophobicContact CG2-CD1 4.1Å; T303-I486 HydrophobicContact CG2-CB 4.09Å; T303-I486 HydrophobicContact CG2-CD1 3.93Å; T303-I486 HydrophobicContact CG2-CG2 3.64Å; L482-I486 HydrophobicContact CD1-CD1 4.34Å; L482-I486 HydrophobicContact CD1-CG1 4.43Å; L482-I486 HydrophobicContact CG-CD1 3.98Å; L482-I486 HydrophobicContact CG-CG1 4.46Å; L482-I486 WeakPolarHBondContact O-CG1 3.16Å; L482-I486 PolarHBondContact O-N 3.25Å; A483-I486 PolarHBondContact O-N 2.94Å; H484-I486 PolarHBondContact O-N 3.48Å; I486-L490 WeakPolarHBondContact O-CB 3.45Å; I486-L490 PolarHBondContact O-N 2.9Å
487	L	98.8	Very high	97.2	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-67.8	-41.4	-178.2	-67.8	170	0	0	0	112.4	A306 L310 V394 L398 A483 H484 I485 A491	A306-L487 HydrophobicContact CB-CD1 3.82Å; A306-L487 HydrophobicContact CB-CD2 3.67Å; A306-L487 HydrophobicContact CB-CG 4.3Å; L310-L487 HydrophobicContact CD2-CD2 4.35Å; L310-L487 WeakPolarHBondContact CD2-O 3.47Å; V394-L487 HydrophobicContact CG1-CB 3.96Å; V394-L487 HydrophobicContact CG1-CD1 3.84Å; V394-L487 HydrophobicContact CG2-CB 3.98Å; L398-L487 HydrophobicContact CD1-CD1 4.26Å; L398-L487 HydrophobicContact CD2-CD1 4.12Å; L398-L487 HydrophobicContact CG-CD1 4.34Å; A483-L487 VanDerWaalsContact O-CG 3.24Å; A483-L487 WeakPolarHBondContact O-CG 3.36Å; A483-L487 PolarHBondContact O-N 3.5Å; H484-L487 PolarHBondContact O-N 3.44Å; I485-L487 VanDerWaalsContact C-N 3.32Å; I485-L487 PolarHBondContact O-N 2.86Å; L487-A491 WeakPolarHBondContact O-CB 3.47Å; L487-A491 PolarHBondContact O-N 3.39Å
488	K	98.7	Very high	97	Very high	14 Å²	14	15.6 Å²	15.6	6%	0.061	8%	0.084	C	C	.	.	H	α-helix	trans	-69	-46.2	178.6	-67.6	-177.9	66.6	159.8	0	111.1	L384 L387 I390 D391 V394 H484 I485 L490 A491 V492	L384-K488 HydrophobicContact CD2-CB 3.98Å; L384-K488 VanDerWaalsContact O-CE 3.24Å; L384-K488 WeakPolarHBondContact O-CE 3.39Å; L384-K488 PolarHBondContact O-NZ 3.36Å; L387-K488 PolarHBondContact O-NZ 3.08Å; I390-K488 HydrophobicContact CG2-CB 4.25Å; I390-K488 HydrophobicContact CG2-CG 4.08Å; D391-K488 IonicContact OD1-NZ 2.7Å; V394-K488 HydrophobicContact CG2-CG 3.89Å; H484-K488 WeakPolarHBondContact O-CB 3.27Å; H484-K488 VanDerWaalsContact O-CG 3.24Å; H484-K488 WeakPolarHBondContact O-CG 3.36Å; H484-K488 PolarHBondContact O-N 2.68Å; I485-K488 PolarHBondContact O-N 2.82Å; K488-L490 VanDerWaalsContact C-N 3.33Å; K488-L490 PolarHBondContact O-N 2.84Å; K488-A491 WeakPolarHBondContact O-CB 3.25Å; K488-A491 PolarHBondContact O-N 2.68Å; K488-V492 VanDerWaalsContact O-CG2 3.28Å; K488-V492 WeakPolarHBondContact O-CG2 3.11Å; K488-V492 PolarHBondContact O-N 2.89Å
489	T	98.6	Very high	96.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.2	-44.1	175.2	-58.2	0	0	0	0	110.9	L162 Q163 I166 L379 I485 A491 V492 E493	L162-T489 HydrophobicContact CD2-CG2 4.09Å; Q163-T489 HydrophobicContact CB-CG2 4.03Å; Q163-T489 HydrophobicContact CG-CG2 3.93Å; I166-T489 HydrophobicContact CD1-CG2 3.72Å; L379-T489 HydrophobicContact CD1-CG2 3.97Å; I485-T489 WeakPolarHBondContact O-CB 3.16Å; I485-T489 PolarHBondContact O-N 3.36Å; I485-T489 PolarHBondContact O-OG1 3.48Å; T489-A491 PolarHBondContact O-N 2.92Å; T489-V492 PolarHBondContact O-N 3.4Å; T489-E493 HydrophobicContact CG2-CG 4.27Å; T489-E493 WeakPolarHBondContact O-CB 3.43Å; T489-E493 VanDerWaalsContact O-CG 3.3Å; T489-E493 WeakPolarHBondContact O-CG 3.35Å; T489-E493 PolarHBondContact O-N 3.29Å
490	L	98.6	Very high	96.9	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-60.9	-42.5	175.2	179.9	63.4	0	0	0	112.2	I166 I170 W173 L189 S307 L310 I486 K488 L494	I166-L490 HydrophobicContact CD1-CB 4.37Å; I166-L490 HydrophobicContact CG2-CD1 4.03Å; I170-L490 HydrophobicContact CD1-CD1 4.22Å; W173-L490 HydrophobicContact CH2-CD1 4.38Å; L189-L490 HydrophobicContact CD2-CD1 4.46Å; S307-L490 VanDerWaalsContact CB-CD2 3.5Å; L310-L490 HydrophobicContact CD2-CD2 4.32Å; L310-L490 HydrophobicContact CD2-CG 4.43Å; I486-L490 WeakPolarHBondContact O-CB 3.45Å; I486-L490 PolarHBondContact O-N 2.9Å; K488-L490 VanDerWaalsContact C-N 3.33Å; K488-L490 PolarHBondContact O-N 2.84Å; L490-L494 HydrophobicContact CD1-CD1 3.79Å; L490-L494 HydrophobicContact CD1-CG 3.99Å; L490-L494 HydrophobicContact CG-CD1 3.85Å; L490-L494 HydrophobicContact CG-CG 4.42Å; L490-L494 VanDerWaalsContact O-CB 3.3Å; L490-L494 WeakPolarHBondContact O-CB 3.32Å; L490-L494 VanDerWaalsContact O-CG 3.26Å; L490-L494 WeakPolarHBondContact O-CG 3.34Å; L490-L494 PolarHBondContact O-N 3.28Å
491	A	98.4	Very high	96.9	Very high	2 Å²	2	18.1 Å²	18.1	2%	0.017	10%	0.101	C	C	.	.	H	α-helix	trans	-61.1	-49	176.6	0	0	0	0	0	111.4	L310 I390 L487 K488 T489 L494 I495	L310-A491 HydrophobicContact CD1-CB 4.46Å; L310-A491 HydrophobicContact CD2-CB 4.01Å; I390-A491 HydrophobicContact CG2-CB 4.12Å; L487-A491 WeakPolarHBondContact O-CB 3.47Å; L487-A491 PolarHBondContact O-N 3.39Å; K488-A491 WeakPolarHBondContact O-CB 3.25Å; K488-A491 PolarHBondContact O-N 2.68Å; T489-A491 PolarHBondContact O-N 2.92Å; A491-L494 PolarHBondContact O-N 3.27Å; A491-I495 HydrophobicContact CB-CD1 4.5Å; A491-I495 VanDerWaalsContact O-CB 3.31Å; A491-I495 WeakPolarHBondContact O-CB 3.45Å; A491-I495 WeakPolarHBondContact O-CD1 3.2Å; A491-I495 WeakPolarHBondContact O-CG1 3.4Å; A491-I495 PolarHBondContact O-N 3.5Å
492	V	97.9	Very high	96.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.2	-50	179.9	172.3	0	0	0	0	110.7	M328 L333 V376 L379 L387 I390 K488 T489 L494 G496	M328-V492 HydrophobicContact CE-CB 4.5Å; M328-V492 HydrophobicContact CE-CG1 3.89Å; M328-V492 WeakPolarHBondContact CE-O 3.28Å; M328-V492 HydrophobicContact SD-CG1 4.45Å; M328-V492 HydrophobicContact SD-CG2 4.49Å; L333-V492 HydrophobicContact CD1-CG1 4.25Å; V376-V492 HydrophobicContact CG1-CG1 3.58Å; V376-V492 HydrophobicContact CG2-CG1 4.32Å; L379-V492 HydrophobicContact CD1-CB 4.37Å; L379-V492 HydrophobicContact CD1-CG1 4.16Å; L379-V492 HydrophobicContact CD2-CG1 4.32Å; L387-V492 HydrophobicContact CD1-CG2 3.51Å; I390-V492 HydrophobicContact CD1-CG2 3.74Å; K488-V492 VanDerWaalsContact O-CG2 3.28Å; K488-V492 WeakPolarHBondContact O-CG2 3.11Å; K488-V492 PolarHBondContact O-N 2.89Å; T489-V492 PolarHBondContact O-N 3.4Å; V492-L494 PolarHBondContact O-N 2.87Å; V492-G496 PolarHBondContact O-N 3.39Å
493	E	97.1	Very high	96.8	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.019	10%	0.098	C	C	.	.	H	α-helix	trans	-63.5	-43.4	-179.6	-69	-64.4	160.8	0	0	111.9	Q163 I166 K167 I170 T489 T497	Q163-E493 VanDerWaalsContact CG-OE1 3.3Å; Q163-E493 WeakPolarHBondContact CG-OE1 3.39Å; Q163-E493 PolarHBondContact NE2-OE1 2.91Å; I166-E493 HydrophobicContact CG2-CB 4.05Å; I166-E493 HydrophobicContact CG2-CG 3.95Å; K167-E493 VanDerWaalsContact CE-CD 3.5Å; K167-E493 WeakPolarHBondContact CE-OE1 3.45Å; K167-E493 WeakPolarHBondContact CE-OE2 3.44Å; K167-E493 HydrophobicContact CG-CG 4.39Å; K167-E493 WeakPolarHBondContact CG-OE2 3.41Å; K167-E493 IonicContact NZ-OE1 2.63Å; I170-E493 HydrophobicContact CD1-CB 3.43Å; I170-E493 VanDerWaalsContact CD1-CB 3.43Å; T489-E493 HydrophobicContact CG2-CG 4.27Å; T489-E493 WeakPolarHBondContact O-CB 3.43Å; T489-E493 VanDerWaalsContact O-CG 3.3Å; T489-E493 WeakPolarHBondContact O-CG 3.35Å; T489-E493 PolarHBondContact O-N 3.29Å; E493-T497 WeakPolarHBondContact O-CB 3.43Å; E493-T497 WeakPolarHBondContact O-CG2 2.99Å; E493-T497 PolarHBondContact O-N 2.93Å; E493-T497 VanDerWaalsContact O-N 3.09Å; E493-T497 PolarHBondContact O-OG1 2.9Å
494	L	95.9	Very high	96.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.2	-54.2	177.7	-76.5	173.2	0	0	0	111.5	I170 W173 V311 L490 A491 V492 G496 T497 C498 W500 F526	I170-L494 HydrophobicContact CD1-CD2 3.95Å; I170-L494 HydrophobicContact CD1-CG 4.01Å; I170-L494 HydrophobicContact CG1-CD2 4.02Å; W173-L494 HydrophobicContact CE3-CD2 4.35Å; W173-L494 HydrophobicContact CZ3-CD2 4.11Å; V311-L494 HydrophobicContact CG2-CD1 3.7Å; L490-L494 HydrophobicContact CD1-CD1 3.79Å; L490-L494 HydrophobicContact CD1-CG 3.99Å; L490-L494 HydrophobicContact CG-CD1 3.85Å; L490-L494 HydrophobicContact CG-CG 4.42Å; L490-L494 VanDerWaalsContact O-CB 3.3Å; L490-L494 WeakPolarHBondContact O-CB 3.32Å; L490-L494 VanDerWaalsContact O-CG 3.26Å; L490-L494 WeakPolarHBondContact O-CG 3.34Å; L490-L494 PolarHBondContact O-N 3.28Å; A491-L494 PolarHBondContact O-N 3.27Å; V492-L494 PolarHBondContact O-N 2.87Å; L494-G496 VanDerWaalsContact C-N 3.3Å; L494-G496 PolarHBondContact O-N 3.45Å; L494-T497 PolarHBondContact O-N 2.85Å; L494-C498 WeakPolarHBondContact O-CB 3.31Å; L494-C498 PolarHBondContact O-N 3.39Å; L494-W500 HydrophobicContact CB-CH2 4.16Å; L494-W500 HydrophobicContact CB-CZ3 4.13Å; L494-W500 VanDerWaalsContact O-CZ3 3.26Å; L494-W500 WeakPolarHBondContact O-CZ3 3.37Å; L494-F526 HydrophobicContact CD2-CD1 4.37Å; L494-F526 HydrophobicContact CD2-CE1 3.97Å
495	I	96.2	Very high	96.2	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-63.8	-38.1	-176.2	-65	169.2	0	0	0	111.2	L314 V321 A324 R325 M328 A491 W500	L314-I495 HydrophobicContact CD1-CD1 4.26Å; L314-I495 HydrophobicContact CD1-CG1 4.39Å; V321-I495 HydrophobicContact CG1-CG1 4.23Å; V321-I495 HydrophobicContact CG1-CG2 4.2Å; A324-I495 HydrophobicContact CB-CD1 3.78Å; R325-I495 HydrophobicContact CB-CG2 3.99Å; R325-I495 HydrophobicContact CG-CG2 4.46Å; M328-I495 HydrophobicContact CE-CG2 4.45Å; M328-I495 HydrophobicContact SD-CB 3.95Å; M328-I495 HydrophobicContact SD-CG2 3.76Å; A491-I495 HydrophobicContact CB-CD1 4.5Å; A491-I495 VanDerWaalsContact O-CB 3.31Å; A491-I495 WeakPolarHBondContact O-CB 3.45Å; A491-I495 WeakPolarHBondContact O-CD1 3.2Å; A491-I495 WeakPolarHBondContact O-CG1 3.4Å; A491-I495 PolarHBondContact O-N 3.5Å; I495-W500 HydrophobicContact CG1-CH2 4Å
496	G	93.6	Very high	96	Very high	11 Å²	11	33.2 Å²	33.2	11%	0.113	18%	0.18	C	C	.	.	H	α-helix	trans	-75	-31.7	-177.2	0	0	0	0	0	114	C335 V492 L494	C335-G496 PolarHBondContact SG-O 3.49Å; V492-G496 PolarHBondContact O-N 3.39Å; L494-G496 VanDerWaalsContact C-N 3.3Å; L494-G496 PolarHBondContact O-N 3.45Å
497	T	93.5	Very high	95.8	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.043	19%	0.194	C	C	.	.	H	α-helix	trans	-116.6	-19.8	-169.5	68.1	0	0	0	0	115	V376 E493 L494 Y528 S529	V376-T497 HydrophobicContact CG2-CG2 4Å; E493-T497 WeakPolarHBondContact O-CB 3.43Å; E493-T497 WeakPolarHBondContact O-CG2 2.99Å; E493-T497 PolarHBondContact O-N 2.93Å; E493-T497 VanDerWaalsContact O-N 3.09Å; E493-T497 PolarHBondContact O-OG1 2.9Å; L494-T497 PolarHBondContact O-N 2.85Å; T497-Y528 WeakPolarHBondContact O-CA 3.26Å; T497-S529 PolarHBondContact O-N 2.72Å
498	C	92.9	Very high	95.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	153.4	-167.7	-65.5	0	0	0	0	113.3	I170 L494 W500 S527 S529	I170-C498 WeakPolarHBondContact CG2-SG 3.34Å; L494-C498 WeakPolarHBondContact O-CB 3.31Å; L494-C498 PolarHBondContact O-N 3.39Å; C498-W500 HydrophobicContact CB-CE3 3.94Å; C498-W500 HydrophobicContact CB-CZ3 4.26Å; C498-W500 WeakPolarHBondContact O-CZ3 3.5Å; C498-S527 CarbonylContact C-O 3.51Å; C498-S527 WeakPolarHBondContact CA-O 3.44Å; C498-S529 PolarHBondContact N-OG 2.99Å; C498-S529 PolarHBondContact O-OG 3.2Å
499	T	93.5	Very high	95.3	Very high	72 Å²	72	44.8 Å²	44.8	44%	0.442	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	147.7	154.5	58.1	0	0	0	0	108.3	S527	T499-S527 PolarHBondContact N-O 3.49Å; T499-S527 PolarHBondContact O-N 2.89Å; T499-S527 VanDerWaalsContact O-O 3.11Å; T499-S527 PolarHBondContact OG1-O 2.68Å
500	W	95.9	Very high	95	Very high	30 Å²	30	46.4 Å²	46.4	11%	0.114	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	147.1	-178.6	61.4	98.5	0	0	0	112.3	L314 L315 V321 L494 I495 C498 V524 R525 F526	L314-W500 HydrophobicContact CB-CZ2 3.99Å; L314-W500 HydrophobicContact CD1-CZ2 4.32Å; L315-W500 HydrophobicContact CD2-CG 4.29Å; V321-W500 HydrophobicContact CG1-CH2 4.43Å; V321-W500 HydrophobicContact CG2-CZ2 4.34Å; L494-W500 HydrophobicContact CB-CH2 4.16Å; L494-W500 HydrophobicContact CB-CZ3 4.13Å; L494-W500 VanDerWaalsContact O-CZ3 3.26Å; L494-W500 WeakPolarHBondContact O-CZ3 3.37Å; I495-W500 HydrophobicContact CG1-CH2 4Å; C498-W500 HydrophobicContact CB-CE3 3.94Å; C498-W500 HydrophobicContact CB-CZ3 4.26Å; C498-W500 WeakPolarHBondContact O-CZ3 3.5Å; W500-V524 HydrophobicContact CB-CG1 3.78Å; W500-V524 HydrophobicContact CG-CG1 4.29Å; W500-R525 CarbonylContact C-O 3.56Å; W500-R525 WeakPolarHBondContact CA-O 3.24Å; W500-R525 WeakPolarHBondContact CB-O 3.32Å; W500-F526 HydrophobicContact CB-CD1 3.52Å; W500-F526 HydrophobicContact CB-CE1 3.7Å; W500-F526 HydrophobicContact CB-CG 4.19Å; W500-F526 HydrophobicContact CG-CD1 4.2Å; W500-F526 AromaticContact CG-CE1 3.96Å; W500-F526 HydrophobicContact CG-CE1 3.96Å
501	T	96.8	Very high	94.6	Very high	83 Å²	83	50.5 Å²	50.5	51%	0.509	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.4	-176.3	55.7	0	0	0	0	111.3	A503 V524 R525	T501-A503 PolarHBondContact O-N 2.95Å; T501-V524 WeakPolarHBondContact O-CA 3.39Å; T501-V524 WeakPolarHBondContact O-CG1 3.36Å; T501-R525 PolarHBondContact N-O 3.31Å; T501-R525 PolarHBondContact O-N 2.85Å
502	L	97.4	Very high	93.9	Very high	31 Å²	31	51 Å²	51	16%	0.162	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	132	175.2	-172.4	68.4	0	0	0	109.7	S504 F507 L522	L502-S504 WeakPolarHBondContact CD2-O 3.44Å; L502-S504 WeakPolarHBondContact CG-O 3.32Å; L502-F507 HydrophobicContact CD1-CD1 4.03Å; L502-F507 HydrophobicContact CD1-CE1 4.16Å; L502-F507 HydrophobicContact CD2-CD1 3.84Å; L502-F507 HydrophobicContact CD2-CD2 4.17Å; L502-F507 HydrophobicContact CD2-CE1 3.95Å; L502-F507 HydrophobicContact CD2-CE2 4.25Å; L502-F507 HydrophobicContact CD2-CG 3.96Å; L502-F507 HydrophobicContact CD2-CZ 4.15Å; L502-F507 HydrophobicContact CG-CE1 4.47Å; L502-L522 HydrophobicContact CD1-CD1 3.9Å
503	A	96.1	Very high	93.1	Very high	24 Å²	24	53 Å²	53	20%	0.198	27%	0.274	C	S	.	.	S	Bend	trans	-84.3	-22	-179.2	0	0	0	0	0	113.4	T501 H523 R525	T501-A503 PolarHBondContact O-N 2.95Å; A503-H523 HydrophobicContact CB-CB 3.97Å; A503-H523 VanDerWaalsContact CB-O 3.31Å; A503-H523 WeakPolarHBondContact CB-O 3.37Å; A503-H523 PolarHBondContact N-O 3.44Å; A503-R525 HydrophobicContact CB-CG 4.28Å
504	S	91.9	Very high	92.1	Very high	53 Å²	53	56.3 Å²	56.3	37%	0.371	30%	0.296	S	S	.	.	S	Bend	trans	-95.4	163.1	175.5	54.7	0	0	0	0	112.2	L502 E506	L502-S504 WeakPolarHBondContact CD2-O 3.44Å; L502-S504 WeakPolarHBondContact CG-O 3.32Å; S504-E506 PolarHBondContact OG-O 3.26Å
505	E	90.6	Very high	91.8	Very high	198 Å²	198	58 Å²	58	93%	0.925	30%	0.304	S	S	*	.	S	Bend	trans	-68.4	-38.2	174.9	-64.3	-178.2	171.1	0	0	112.2
506	E	94.2	Very high	91.6	Very high	158 Å²	158	57.8 Å²	57.8	74%	0.738	30%	0.303	S	S	*	.	S	Bend	trans	-119.8	150.7	-179.1	-63.8	-173.9	172.4	0	0	111.5	S504	S504-E506 PolarHBondContact OG-O 3.26Å
507	F	94.8	Very high	91.7	Very high	71 Å²	71	59.1 Å²	59.1	31%	0.311	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-68.6	143.6	171.9	-73.5	-79.9	0	0	0	111.2	L312 L315 R316 L502	L312-F507 HydrophobicContact CD1-CD1 3.41Å; L312-F507 VanDerWaalsContact CD1-CD1 3.41Å; L312-F507 HydrophobicContact CD1-CE1 3.96Å; L312-F507 HydrophobicContact CD1-CG 4.29Å; L315-F507 HydrophobicContact CB-CE1 3.89Å; L315-F507 HydrophobicContact CB-CZ 4.28Å; L315-F507 HydrophobicContact CD1-CE1 4.49Å; R316-F507 HydrophobicContact CB-CZ 4.4Å; R316-F507 HydrophobicContact CG-CD1 4.02Å; R316-F507 HydrophobicContact CG-CD2 4.08Å; R316-F507 HydrophobicContact CG-CE1 3.61Å; R316-F507 HydrophobicContact CG-CE2 3.69Å; R316-F507 HydrophobicContact CG-CG 4.23Å; R316-F507 HydrophobicContact CG-CZ 3.43Å; R316-F507 VanDerWaalsContact CG-CZ 3.43Å; L502-F507 HydrophobicContact CD1-CD1 4.03Å; L502-F507 HydrophobicContact CD1-CE1 4.16Å; L502-F507 HydrophobicContact CD2-CD1 3.84Å; L502-F507 HydrophobicContact CD2-CD2 4.17Å; L502-F507 HydrophobicContact CD2-CE1 3.95Å; L502-F507 HydrophobicContact CD2-CE2 4.25Å; L502-F507 HydrophobicContact CD2-CG 3.96Å; L502-F507 HydrophobicContact CD2-CZ 4.15Å; L502-F507 HydrophobicContact CG-CE1 4.47Å
508	P	94.3	Very high	91.8	Very high	21 Å²	21	58.9 Å²	58.9	14%	0.136	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-65.7	147.5	-178	28	-35.6	0	0	0	111.7	P518 L522	P508-P518 HydrophobicContact CB-CB 3.68Å; P508-P518 HydrophobicContact CG-CB 3.51Å; P508-L522 HydrophobicContact CG-CB 4.4Å; P508-L522 HydrophobicContact CG-CD1 3.93Å
509	K	93	Very high	91.7	Very high	169 Å²	169	61.6 Å²	61.6	74%	0.735	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-66.2	135.5	167	-177.6	177	179.8	178.4	0	109.2	V519	K509-V519 WeakPolarHBondContact O-CB 3.34Å; K509-V519 WeakPolarHBondContact O-CG2 3.38Å; K509-V519 PolarHBondContact O-N 2.86Å
510	M	92.8	Very high	91.6	Very high	35 Å²	35	65.2 Å²	65.2	17%	0.172	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.4	175.6	-58.9	-58.5	-72.9	0	0	110.9	L312 L401 V516 P518	L312-M510 HydrophobicContact CD2-CE 4.15Å; L312-M510 HydrophobicContact CD2-CG 4.19Å; L312-M510 HydrophobicContact CD2-SD 3.59Å; L312-M510 VanDerWaalsContact CD2-SD 3.59Å; L401-M510 HydrophobicContact CD1-CE 4.35Å; L401-M510 HydrophobicContact CD2-CG 4.5Å; M510-V516 HydrophobicContact CE-CG1 3.65Å; M510-P518 HydrophobicContact SD-CB 3.86Å
511	Q	89.6	Confident	91.5	Very high	86 Å²	86	64.2 Å²	64.2	40%	0.402	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.5	161.2	174.9	165.3	-17.9	0	0	108.3	V513 V516 H517 V519	Q511-V513 WeakPolarHBondContact CG-O 3.28Å; Q511-V513 PolarHBondContact NE2-O 2.87Å; Q511-V516 CarbonylContact O-C 3.44Å; Q511-V516 WeakPolarHBondContact O-CA 3.27Å; Q511-H517 VanDerWaalsContact CD-CE1 3.47Å; Q511-H517 PolarHBondContact N-O 3.49Å; Q511-H517 PolarHBondContact O-N 3.39Å; Q511-V519 HydrophobicContact CB-CG2 4.04Å
512	T	85.1	Confident	91.5	Very high	14 Å²	14	60.3 Å²	60.3	9%	0.086	31%	0.313	C	S	.	.			trans	-106.7	-1	-170.4	58.7	0	0	0	0	114.7	S405	S405-T512 WeakPolarHBondContact CB-O 3.48Å
513	V	79.4	Confident	91.6	Very high	42 Å²	42	62.3 Å²	62.3	26%	0.255	32%	0.321	S	S	.	.	S	Bend	trans	-142.9	138.5	-179.3	-176.6	0	0	0	0	108.8	Q511	Q511-V513 WeakPolarHBondContact CG-O 3.28Å; Q511-V513 PolarHBondContact NE2-O 2.87Å
514	P	76.4	Confident	91.7	Very high	73 Å²	73	61.2 Å²	61.2	47%	0.474	31%	0.312	S	S	.	.	S	Bend	cis	-75.8	-30.5	-2.7	30.4	-34.1	0	0	0	113.4
515	I	89.1	Confident	91.9	Very high	35 Å²	35	64.6 Å²	64.6	18%	0.179	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-119.8	140.2	176.7	-61.5	-179.8	0	0	0	108.2	S301 P403 H517	S301-I515 VanDerWaalsContact CB-CD1 3.44Å; P403-I515 VanDerWaalsContact O-CA 3.32Å; P403-I515 WeakPolarHBondContact O-CA 3.37Å; I515-H517 PolarHBondContact O-N 2.71Å; I515-H517 PolarHBondContact O-ND1 3.07Å
516	V	93.6	Very high	92.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.274	C	S	.	.			trans	-68.8	123.8	-179.8	178.1	0	0	0	0	110.9	S305 L401 P402 P403 M510 Q511	S305-V516 WeakPolarHBondContact CB-O 3.4Å; S305-V516 PolarHBondContact OG-O 2.7Å; L401-V516 HydrophobicContact CB-CG1 4.16Å; L401-V516 HydrophobicContact CD2-CG1 4.07Å; P402-V516 WeakPolarHBondContact O-CG2 3.4Å; P403-V516 PolarHBondContact O-N 2.98Å; P403-V516 VanDerWaalsContact O-N 3.16Å; M510-V516 HydrophobicContact CE-CG1 3.65Å; Q511-V516 CarbonylContact O-C 3.44Å; Q511-V516 WeakPolarHBondContact O-CA 3.27Å
517	H	94.1	Very high	92.2	Very high	39 Å²	39	51.2 Å²	51.2	18%	0.181	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	155.6	176	62.1	-78.3	0	0	0	111.5	Y183 Q511 I515	Y183-H517 HydrophobicContact CD1-CB 4.19Å; Y183-H517 HydrophobicContact CD2-CB 4.15Å; Y183-H517 HydrophobicContact CE1-CB 3.73Å; Y183-H517 HydrophobicContact CE2-CB 3.7Å; Y183-H517 HydrophobicContact CG-CB 4.38Å; Y183-H517 VanDerWaalsContact CZ-CB 3.47Å; Q511-H517 VanDerWaalsContact CD-CE1 3.47Å; Q511-H517 PolarHBondContact N-O 3.49Å; Q511-H517 PolarHBondContact O-N 3.39Å; I515-H517 PolarHBondContact O-N 2.71Å; I515-H517 PolarHBondContact O-ND1 3.07Å
518	P	95.8	Very high	92	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.013	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	133.7	173.6	30.2	-36	0	0	0	111	Y183 T308 P508 M510 N520 G521 L522	Y183-P518 HydrophobicContact CG-CG 4.48Å; T308-P518 HydrophobicContact CG2-CG 3.98Å; P508-P518 HydrophobicContact CB-CB 3.68Å; P508-P518 HydrophobicContact CG-CB 3.51Å; M510-P518 HydrophobicContact SD-CB 3.86Å; P518-N520 PolarHBondContact O-N 2.94Å; P518-G521 WeakPolarHBondContact CB-O 3.26Å; P518-G521 PolarHBondContact O-N 3.39Å; P518-L522 HydrophobicContact CB-CB 4.32Å; P518-L522 HydrophobicContact CG-CB 3.9Å
519	V	91.8	Very high	91.5	Very high	57 Å²	57	50.8 Å²	50.8	35%	0.345	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	124.2	170.7	178.9	0	0	0	0	107.6	K509 Q511 G521	K509-V519 WeakPolarHBondContact O-CB 3.34Å; K509-V519 WeakPolarHBondContact O-CG2 3.38Å; K509-V519 PolarHBondContact O-N 2.86Å; Q511-V519 HydrophobicContact CB-CG2 4.04Å; V519-G521 VanDerWaalsContact C-N 3.3Å; V519-G521 PolarHBondContact O-N 2.88Å
520	N	90.9	Very high	90	Very high	149 Å²	149	49.9 Å²	49.9	80%	0.797	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	18.5	-174.4	-50.6	-35.3	0	0	0	115.8	P518 H523	P518-N520 PolarHBondContact O-N 2.94Å; N520-H523 PolarHBondContact O-NE2 2.87Å
521	G	94.2	Very high	88	Confident	8 Å²	8	54.2 Å²	54.2	8%	0.082	28%	0.282	C	S	.	.			trans	85.2	173.1	177.3	0	0	0	0	0	114	D181 P518 V519	D181-G521 WeakPolarHBondContact OD1-CA 3.31Å; P518-G521 WeakPolarHBondContact CB-O 3.26Å; P518-G521 PolarHBondContact O-N 3.39Å; V519-G521 VanDerWaalsContact C-N 3.3Å; V519-G521 PolarHBondContact O-N 2.88Å
522	L	97.5	Very high	85.3	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.322	C	S	.	.			trans	-118.5	100.8	175.8	170.8	63.2	0	0	0	108.1	D181 V182 T308 V311 L312 L502 P508 P518 V524	D181-L522 WeakPolarHBondContact CA-O 3.34Å; D181-L522 PolarHBondContact OD1-N 3.31Å; V182-L522 HydrophobicContact CB-CB 4.2Å; V182-L522 HydrophobicContact CB-CD2 4.11Å; V182-L522 HydrophobicContact CB-CG 4.19Å; V182-L522 WeakPolarHBondContact CB-O 3.31Å; V182-L522 HydrophobicContact CG1-CD2 4.31Å; V182-L522 HydrophobicContact CG2-CD2 4.4Å; V182-L522 HydrophobicContact CG2-CG 4.32Å; V182-L522 WeakPolarHBondContact CG2-O 3.41Å; V182-L522 PolarHBondContact N-O 3.33Å; T308-L522 HydrophobicContact CG2-CB 4.14Å; T308-L522 HydrophobicContact CG2-CD2 3.91Å; V311-L522 HydrophobicContact CG1-CD2 4.32Å; L312-L522 HydrophobicContact CB-CD2 3.93Å; L312-L522 HydrophobicContact CD1-CD1 4.13Å; L502-L522 HydrophobicContact CD1-CD1 3.9Å; P508-L522 HydrophobicContact CG-CB 4.4Å; P508-L522 HydrophobicContact CG-CD1 3.93Å; P518-L522 HydrophobicContact CB-CB 4.32Å; P518-L522 HydrophobicContact CG-CB 3.9Å; L522-V524 HydrophobicContact CD1-CG2 4.1Å; L522-V524 HydrophobicContact CD2-CG2 4.39Å; L522-V524 HydrophobicContact CG-CG2 3.81Å
523	H	97.8	Very high	85.3	Confident	74 Å²	74	63.8 Å²	63.8	34%	0.343	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.5	-175.5	-65.1	-71.9	0	0	0	111.8	I180 A503 N520	I180-H523 CarbonylContact O-C 3.48Å; I180-H523 VanDerWaalsContact O-CA 3.27Å; I180-H523 WeakPolarHBondContact O-CA 3.25Å; A503-H523 HydrophobicContact CB-CB 3.97Å; A503-H523 VanDerWaalsContact CB-O 3.31Å; A503-H523 WeakPolarHBondContact CB-O 3.37Å; A503-H523 PolarHBondContact N-O 3.44Å; N520-H523 PolarHBondContact O-NE2 2.87Å
524	V	98.1	Very high	85.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.9	-173	-177.6	0	0	0	0	109.7	S179 I180 V182 L315 W500 T501 L522 F526	S179-V524 CarbonylContact C-O 3.56Å; S179-V524 WeakPolarHBondContact CA-O 3.31Å; I180-V524 PolarHBondContact N-O 2.94Å; I180-V524 PolarHBondContact O-N 3.36Å; V182-V524 HydrophobicContact CG2-CB 3.85Å; V182-V524 HydrophobicContact CG2-CG2 3.64Å; L315-V524 HydrophobicContact CD1-CG1 4.23Å; L315-V524 HydrophobicContact CD1-CG2 3.6Å; W500-V524 HydrophobicContact CB-CG1 3.78Å; W500-V524 HydrophobicContact CG-CG1 4.29Å; T501-V524 WeakPolarHBondContact O-CA 3.39Å; T501-V524 WeakPolarHBondContact O-CG1 3.36Å; L522-V524 HydrophobicContact CD1-CG2 4.1Å; L522-V524 HydrophobicContact CD2-CG2 4.39Å; L522-V524 HydrophobicContact CG-CG2 3.81Å; V524-F526 HydrophobicContact CB-CD2 4.4Å; V524-F526 HydrophobicContact CB-CE2 3.67Å; V524-F526 HydrophobicContact CB-CZ 3.96Å; V524-F526 HydrophobicContact CG1-CD2 4.13Å; V524-F526 HydrophobicContact CG1-CE1 4.13Å; V524-F526 HydrophobicContact CG1-CE2 3.62Å; V524-F526 HydrophobicContact CG1-CZ 3.61Å
525	R	97.6	Very high	86.2	Confident	124 Å²	124	64.5 Å²	64.5	47%	0.468	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.6	169.5	-61.8	-173.5	-168.1	89.8	4.7	109.1	W500 T501 A503	W500-R525 CarbonylContact C-O 3.56Å; W500-R525 WeakPolarHBondContact CA-O 3.24Å; W500-R525 WeakPolarHBondContact CB-O 3.32Å; T501-R525 PolarHBondContact N-O 3.31Å; T501-R525 PolarHBondContact O-N 2.85Å; A503-R525 HydrophobicContact CB-CG 4.28Å
526	F	96.4	Very high	86	Confident	9 Å²	9	66.2 Å²	66.2	4%	0.039	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.4	179.6	-65.7	-92.1	0	0	0	110.1	W173 V174 I180 V182 V311 L494 W500 V524	W173-F526 HydrophobicContact CB-CB 4.44Å; W173-F526 HydrophobicContact CB-CD2 3.93Å; W173-F526 HydrophobicContact CB-CE2 4.41Å; W173-F526 HydrophobicContact CB-CG 4.17Å; W173-F526 HydrophobicContact CD2-CE2 4.49Å; W173-F526 HydrophobicContact CE3-CD1 4.41Å; W173-F526 AromaticContact CE3-CE1 3.95Å; W173-F526 HydrophobicContact CE3-CE1 3.95Å; W173-F526 HydrophobicContact CE3-CE2 4.04Å; W173-F526 AromaticContact CE3-CZ 3.74Å; W173-F526 HydrophobicContact CE3-CZ 3.74Å; W173-F526 HydrophobicContact CZ3-CE1 4.4Å; W173-F526 HydrophobicContact CZ3-CZ 4.17Å; V174-F526 HydrophobicContact CG2-CB 3.9Å; I180-F526 HydrophobicContact CB-CD2 4.31Å; I180-F526 HydrophobicContact CB-CE2 4.11Å; I180-F526 HydrophobicContact CG1-CD2 4.21Å; I180-F526 HydrophobicContact CG1-CE2 4.48Å; I180-F526 HydrophobicContact CG2-CE2 4.5Å; V182-F526 HydrophobicContact CG2-CE2 3.96Å; V182-F526 HydrophobicContact CG2-CZ 3.91Å; V311-F526 HydrophobicContact CG1-CZ 4.44Å; L494-F526 HydrophobicContact CD2-CD1 4.37Å; L494-F526 HydrophobicContact CD2-CE1 3.97Å; W500-F526 HydrophobicContact CB-CD1 3.52Å; W500-F526 HydrophobicContact CB-CE1 3.7Å; W500-F526 HydrophobicContact CB-CG 4.19Å; W500-F526 HydrophobicContact CG-CD1 4.2Å; W500-F526 AromaticContact CG-CE1 3.96Å; W500-F526 HydrophobicContact CG-CE1 3.96Å; V524-F526 HydrophobicContact CB-CD2 4.4Å; V524-F526 HydrophobicContact CB-CE2 3.67Å; V524-F526 HydrophobicContact CB-CZ 3.96Å; V524-F526 HydrophobicContact CG1-CD2 4.13Å; V524-F526 HydrophobicContact CG1-CE1 4.13Å; V524-F526 HydrophobicContact CG1-CE2 3.62Å; V524-F526 HydrophobicContact CG1-CZ 3.61Å
527	S	93.9	Very high	85.5	Confident	66 Å²	66	70.4 Å²	70.4	46%	0.462	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	148.8	173.9	-61.9	0	0	0	0	108.8	C498 T499	C498-S527 CarbonylContact C-O 3.51Å; C498-S527 WeakPolarHBondContact CA-O 3.44Å; T499-S527 PolarHBondContact N-O 3.49Å; T499-S527 PolarHBondContact O-N 2.89Å; T499-S527 VanDerWaalsContact O-O 3.11Å; T499-S527 PolarHBondContact OG1-O 2.68Å
528	Y	91.7	Very high	84.9	Confident	63 Å²	63	72.5 Å²	72.5	25%	0.247	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	143.9	172	-73	-62.5	0	0	0	110.3	V174 P374 T497 N530	V174-Y528 HydrophobicContact CB-CD2 4.47Å; V174-Y528 HydrophobicContact CB-CE2 4.14Å; V174-Y528 HydrophobicContact CG1-CD1 4.41Å; V174-Y528 HydrophobicContact CG1-CD2 3.45Å; V174-Y528 VanDerWaalsContact CG1-CD2 3.45Å; V174-Y528 HydrophobicContact CG1-CE1 4.45Å; V174-Y528 HydrophobicContact CG1-CE2 3.48Å; V174-Y528 VanDerWaalsContact CG1-CE2 3.48Å; V174-Y528 HydrophobicContact CG1-CG 3.93Å; V174-Y528 HydrophobicContact CG2-CD1 4.48Å; V174-Y528 HydrophobicContact CG2-CE1 4.35Å; P374-Y528 HydrophobicContact CG-CD1 3.86Å; P374-Y528 HydrophobicContact CG-CG 4.27Å; T497-Y528 WeakPolarHBondContact O-CA 3.26Å; Y528-N530 PolarHBondContact O-N 3.38Å; Y528-N530 VanDerWaalsContact O-N 3.16Å
529	S	82.6	Confident	84.2	Confident	20 Å²	20	77.5 Å²	77.5	14%	0.14	40%	0.398	C	S	.	.			trans	-66.7	111.1	173.5	-68.2	0	0	0	0	109.5	T497 C498 Q531	T497-S529 PolarHBondContact O-N 2.72Å; C498-S529 PolarHBondContact N-OG 2.99Å; C498-S529 PolarHBondContact O-OG 3.2Å; S529-Q531 VanDerWaalsContact C-N 3.27Å; S529-Q531 PolarHBondContact O-N 3.45Å
530	N	62.4	Low	83.6	Confident	151 Å²	151	79.1 Å²	79.1	81%	0.807	40%	0.402	S	S	*	.			trans	-78.4	78.1	168.4	-70.8	-11.7	0	0	0	108.5	Y528 L532	Y528-N530 PolarHBondContact O-N 3.38Å; Y528-N530 VanDerWaalsContact O-N 3.16Å; N530-L532 PolarHBondContact O-N 3.27Å
531	Q	50	Low	82.9	Confident	126 Å²	126	73.3 Å²	73.3	59%	0.589	37%	0.369	S	S	*	.			trans	-84	95.1	163.3	-73.8	-171.9	-19.9	0	0	107.3	S529	S529-Q531 VanDerWaalsContact C-N 3.27Å; S529-Q531 PolarHBondContact O-N 3.45Å
532	L	33.2	Very low	81.9	Confident	237 Å²	237	79.2 Å²	79.2	100%	1.241	40%	0.395	S	S	*	.			trans	-76.1	0	166.5	-87.3	165	0	0	0	110.5	N530	N530-L532 PolarHBondContact O-N 3.27Å

Retrieved 532 of 532 residues in 278.3 ms (Link to these results)

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