G4VLD8_SCHMA Loading...

Alpha-galactosidase

AlphaFold DB , UniProt , Accession G4VLD8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 148 aa.

						>G4VLD8_SCHMA|G4VLD8
MFTLLTIVSGVVILTLNSVMCLDNGLARTPPMGWNSWLAIDCQVDCVNYPNNCLNENVIKRTADKLVSDGWRDLGYKYVIIDDCWLSRLRDPKTVRLMPDPSRFPSGMKCLANYLHSKNLLFGITIGYGSGTCSGYLGSMDAINICWR
					

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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	65.5	Low	79.9	Confident	193 Å²	193	106.3 Å²	106.3	95%	0.951	59%	0.588	S	S	*	*				0	-49.5	0	-145	165.2	82.2	0	0	112.2	T3 L4 L5	M1-T3 PolarHBondContact O-N 3.28Å; M1-L4 PolarHBondContact O-N 2.85Å; M1-L5 HydrophobicContact CG-CD1 4.47Å; M1-L5 PolarHBondContact O-N 3.21Å
2	F	76.8	Confident	80.2	Confident	183 Å²	183	103.2 Å²	103.2	80%	0.803	57%	0.574	S	S	*	*	H	α-helix	trans	-55.5	-45.2	178	-80	-81.5	0	0	0	114.9	L4 L5 T6	F2-L4 VanDerWaalsContact C-N 3.27Å; F2-L4 PolarHBondContact O-N 3.4Å; F2-L5 PolarHBondContact O-N 2.95Å; F2-T6 PolarHBondContact O-N 3.37Å; F2-T6 PolarHBondContact O-OG1 3.19Å
3	T	79.6	Confident	80.5	Confident	103 Å²	103	102.4 Å²	102.4	63%	0.632	57%	0.566	S	S	*	*	H	α-helix	trans	-62	-33.3	-178.1	-29.4	0	0	0	0	113.4	M1 T6 I7	M1-T3 PolarHBondContact O-N 3.28Å; T3-T6 WeakPolarHBondContact CA-OG1 3.47Å; T3-T6 PolarHBondContact O-OG1 3.3Å; T3-I7 WeakPolarHBondContact O-CD1 3.29Å; T3-I7 VanDerWaalsContact O-CG1 3.27Å; T3-I7 WeakPolarHBondContact O-CG1 3.27Å; T3-I7 PolarHBondContact O-N 3.19Å
4	L	77.6	Confident	80.6	Confident	125 Å²	125	103.9 Å²	103.9	65%	0.654	57%	0.572	S	S	*	*	H	α-helix	trans	-71.7	-43.7	177.6	-168.7	72.8	0	0	0	110.6	M1 F2 T6 I7 V8	M1-L4 PolarHBondContact O-N 2.85Å; F2-L4 VanDerWaalsContact C-N 3.27Å; F2-L4 PolarHBondContact O-N 3.4Å; L4-T6 VanDerWaalsContact C-N 3.33Å; L4-T6 PolarHBondContact O-N 2.94Å; L4-I7 PolarHBondContact O-N 3.46Å; L4-V8 VanDerWaalsContact O-CG2 3.29Å; L4-V8 WeakPolarHBondContact O-CG2 3.24Å; L4-V8 PolarHBondContact O-N 3Å
5	L	76	Confident	80.6	Confident	116 Å²	116	102.7 Å²	102.7	61%	0.607	57%	0.569	S	S	*	*	H	α-helix	trans	-61.5	-39.4	175.6	-96.5	114.1	0	0	0	112.3	M1 F2 S9	M1-L5 HydrophobicContact CG-CD1 4.47Å; M1-L5 PolarHBondContact O-N 3.21Å; F2-L5 PolarHBondContact O-N 2.95Å; L5-S9 VanDerWaalsContact O-CB 3.24Å; L5-S9 WeakPolarHBondContact O-CB 3.33Å; L5-S9 PolarHBondContact O-N 2.9Å
6	T	81.7	Confident	80.7	Confident	89 Å²	89	104.9 Å²	104.9	55%	0.546	58%	0.578	S	S	.	*	H	α-helix	trans	-66.6	-40	177.3	49.7	0	0	0	0	112.3	F2 T3 L4 G10	F2-T6 PolarHBondContact O-N 3.37Å; F2-T6 PolarHBondContact O-OG1 3.19Å; T3-T6 WeakPolarHBondContact CA-OG1 3.47Å; T3-T6 PolarHBondContact O-OG1 3.3Å; L4-T6 VanDerWaalsContact C-N 3.33Å; L4-T6 PolarHBondContact O-N 2.94Å; T6-G10 PolarHBondContact O-N 3.33Å
7	I	86.1	Confident	80.7	Confident	104 Å²	104	105.9 Å²	105.9	53%	0.533	58%	0.583	S	S	.	*	H	α-helix	trans	-65.9	-47.4	176.4	-68.3	166.9	0	0	0	110.4	T3 L4 S9 G10 V11	T3-I7 WeakPolarHBondContact O-CD1 3.29Å; T3-I7 VanDerWaalsContact O-CG1 3.27Å; T3-I7 WeakPolarHBondContact O-CG1 3.27Å; T3-I7 PolarHBondContact O-N 3.19Å; L4-I7 PolarHBondContact O-N 3.46Å; I7-S9 PolarHBondContact O-N 3.31Å; I7-G10 PolarHBondContact O-N 3.44Å; I7-V11 WeakPolarHBondContact O-CG2 3.42Å; I7-V11 PolarHBondContact O-N 3.28Å
8	V	84.8	Confident	80.9	Confident	82 Å²	82	104.8 Å²	104.8	50%	0.497	58%	0.584	S	S	.	*	H	α-helix	trans	-60.9	-45.2	178.8	172.4	0	0	0	0	110.8	L4 G10 V11 V12	L4-V8 VanDerWaalsContact O-CG2 3.29Å; L4-V8 WeakPolarHBondContact O-CG2 3.24Å; L4-V8 PolarHBondContact O-N 3Å; V8-G10 VanDerWaalsContact C-N 3.35Å; V8-G10 PolarHBondContact O-N 2.94Å; V8-V11 PolarHBondContact O-N 3.46Å; V8-V12 HydrophobicContact CG1-CG2 4.41Å; V8-V12 VanDerWaalsContact O-CG2 3.3Å; V8-V12 WeakPolarHBondContact O-CG2 3.38Å; V8-V12 PolarHBondContact O-N 3.44Å
9	S	82	Confident	81.1	Confident	63 Å²	63	105.7 Å²	105.7	44%	0.441	59%	0.592	S	S	.	*	H	α-helix	trans	-59.2	-44.6	175.3	-175.5	0	0	0	0	111.8	L5 I7 V11 V12 I13	L5-S9 VanDerWaalsContact O-CB 3.24Å; L5-S9 WeakPolarHBondContact O-CB 3.33Å; L5-S9 PolarHBondContact O-N 2.9Å; I7-S9 PolarHBondContact O-N 3.31Å; S9-V11 PolarHBondContact O-N 3.33Å; S9-V12 PolarHBondContact O-N 2.96Å; S9-I13 WeakPolarHBondContact O-CB 3.48Å; S9-I13 VanDerWaalsContact O-CG1 3.24Å; S9-I13 WeakPolarHBondContact O-CG1 3.3Å; S9-I13 PolarHBondContact O-N 2.79Å
10	G	83.7	Confident	81.2	Confident	30 Å²	30	109.9 Å²	109.9	31%	0.309	61%	0.609	S	S	.	*	H	α-helix	trans	-60.9	-44.1	176.7	0	0	0	0	0	113.4	T6 I7 V8 I13 L14	T6-G10 PolarHBondContact O-N 3.33Å; I7-G10 PolarHBondContact O-N 3.44Å; V8-G10 VanDerWaalsContact C-N 3.35Å; V8-G10 PolarHBondContact O-N 2.94Å; G10-I13 PolarHBondContact O-N 3.17Å; G10-L14 WeakPolarHBondContact O-CG 3.36Å; G10-L14 PolarHBondContact O-N 3.23Å
11	V	84.8	Confident	81.4	Confident	81 Å²	81	109.6 Å²	109.6	49%	0.491	61%	0.613	S	S	.	*	H	α-helix	trans	-64.6	-44.6	176.3	174.5	0	0	0	0	111	I7 V8 S9 I13 L14 T15	I7-V11 WeakPolarHBondContact O-CG2 3.42Å; I7-V11 PolarHBondContact O-N 3.28Å; V8-V11 PolarHBondContact O-N 3.46Å; S9-V11 PolarHBondContact O-N 3.33Å; V11-I13 PolarHBondContact O-N 3.48Å; V11-L14 PolarHBondContact O-N 3.45Å; V11-T15 HydrophobicContact CG1-CG2 4.32Å; V11-T15 WeakPolarHBondContact O-CG2 3.35Å; V11-T15 PolarHBondContact O-N 3.17Å; V11-T15 PolarHBondContact O-OG1 2.96Å
12	V	84.2	Confident	82.5	Confident	69 Å²	69	107.5 Å²	107.5	42%	0.418	61%	0.605	S	S	.	*	H	α-helix	trans	-60	-46.6	177.3	170.9	0	0	0	0	110.5	V8 S9 L14 T15 L16	V8-V12 HydrophobicContact CG1-CG2 4.41Å; V8-V12 VanDerWaalsContact O-CG2 3.3Å; V8-V12 WeakPolarHBondContact O-CG2 3.38Å; V8-V12 PolarHBondContact O-N 3.44Å; S9-V12 PolarHBondContact O-N 2.96Å; V12-L14 PolarHBondContact O-N 3.47Å; V12-T15 PolarHBondContact O-N 3.41Å; V12-T15 PolarHBondContact O-OG1 3.44Å; V12-L16 HydrophobicContact CG1-CD1 3.55Å; V12-L16 HydrophobicContact CG1-CG 4.15Å; V12-L16 WeakPolarHBondContact O-CB 3.24Å; V12-L16 VanDerWaalsContact O-CG 3.23Å; V12-L16 WeakPolarHBondContact O-CG 3.49Å; V12-L16 PolarHBondContact O-N 3.06Å
13	I	84.1	Confident	83.2	Confident	93 Å²	93	104.9 Å²	104.9	48%	0.477	60%	0.6	S	S	.	*	H	α-helix	trans	-59.5	-45.6	176.1	-67.5	165.9	0	0	0	111	S9 G10 V11 T15 L16 N17	S9-I13 WeakPolarHBondContact O-CB 3.48Å; S9-I13 VanDerWaalsContact O-CG1 3.24Å; S9-I13 WeakPolarHBondContact O-CG1 3.3Å; S9-I13 PolarHBondContact O-N 2.79Å; G10-I13 PolarHBondContact O-N 3.17Å; V11-I13 PolarHBondContact O-N 3.48Å; I13-T15 PolarHBondContact O-N 3.4Å; I13-L16 PolarHBondContact O-N 2.74Å; I13-N17 WeakPolarHBondContact O-CB 3.23Å; I13-N17 PolarHBondContact O-N 3.28Å; I13-N17 PolarHBondContact O-ND2 3.46Å
14	L	81.8	Confident	84	Confident	124 Å²	124	104.4 Å²	104.4	65%	0.649	59%	0.593	S	S	*	*	H	α-helix	trans	-62.4	-42.6	178.2	-75.2	165.8	0	0	0	112.4	G10 V11 V12 N17 S18	G10-L14 WeakPolarHBondContact O-CG 3.36Å; G10-L14 PolarHBondContact O-N 3.23Å; V11-L14 PolarHBondContact O-N 3.45Å; V12-L14 PolarHBondContact O-N 3.47Å; L14-N17 PolarHBondContact O-N 3.29Å; L14-S18 PolarHBondContact O-N 2.91Å; L14-S18 PolarHBondContact O-OG 2.91Å
15	T	80.9	Confident	84.9	Confident	86 Å²	86	100.8 Å²	100.8	53%	0.528	59%	0.586	S	S	.	*	H	α-helix	trans	-70.2	-36.2	178.7	58.4	0	0	0	0	112.7	V11 V12 I13 N17 S18	V11-T15 HydrophobicContact CG1-CG2 4.32Å; V11-T15 WeakPolarHBondContact O-CG2 3.35Å; V11-T15 PolarHBondContact O-N 3.17Å; V11-T15 PolarHBondContact O-OG1 2.96Å; V12-T15 PolarHBondContact O-N 3.41Å; V12-T15 PolarHBondContact O-OG1 3.44Å; I13-T15 PolarHBondContact O-N 3.4Å; T15-N17 VanDerWaalsContact C-N 3.29Å; T15-N17 PolarHBondContact O-N 2.88Å; T15-S18 WeakPolarHBondContact O-CB 3.46Å; T15-S18 PolarHBondContact O-N 2.92Å
16	L	81.8	Confident	85.8	Confident	137 Å²	137	100.6 Å²	100.6	72%	0.717	59%	0.585	S	S	*	*	H	α-helix	trans	-70.4	-25.9	176.3	-72.3	172.1	0	0	0	112.8	V12 I13	V12-L16 HydrophobicContact CG1-CD1 3.55Å; V12-L16 HydrophobicContact CG1-CG 4.15Å; V12-L16 WeakPolarHBondContact O-CB 3.24Å; V12-L16 VanDerWaalsContact O-CG 3.23Å; V12-L16 WeakPolarHBondContact O-CG 3.49Å; V12-L16 PolarHBondContact O-N 3.06Å; I13-L16 PolarHBondContact O-N 2.74Å
17	N	81.3	Confident	86.4	Confident	122 Å²	122	99.8 Å²	99.8	65%	0.652	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	3.9	175.8	-70.6	-77.2	0	0	0	113.2	I13 L14 T15	I13-N17 WeakPolarHBondContact O-CB 3.23Å; I13-N17 PolarHBondContact O-N 3.28Å; I13-N17 PolarHBondContact O-ND2 3.46Å; L14-N17 PolarHBondContact O-N 3.29Å; T15-N17 VanDerWaalsContact C-N 3.29Å; T15-N17 PolarHBondContact O-N 2.88Å
18	S	83.3	Confident	86.8	Confident	87 Å²	87	104.2 Å²	104.2	61%	0.608	60%	0.597	S	S	*	*			trans	-81.6	119.9	176.1	-66.6	0	0	0	0	110	L14 T15	L14-S18 PolarHBondContact O-N 2.91Å; L14-S18 PolarHBondContact O-OG 2.91Å; T15-S18 WeakPolarHBondContact O-CB 3.46Å; T15-S18 PolarHBondContact O-N 2.92Å
19	V	84.6	Confident	87.3	Confident	121 Å²	121	105.4 Å²	105.4	73%	0.733	61%	0.605	S	S	*	*			trans	-98.4	128.1	170.7	-179.8	0	0	0	0	108.3	C21	V19-C21 PolarHBondContact O-N 3.19Å
20	M	83.8	Confident	88.1	Confident	190 Å²	190	107.5 Å²	107.5	94%	0.936	62%	0.617	S	S	*	*			trans	-82	104.3	167.3	-66.6	-169.5	-64.6	0	0	108.5
21	C	84.6	Confident	88.7	Confident	103 Å²	103	110.4 Å²	110.4	70%	0.696	63%	0.63	S	S	*	*			trans	-86.7	155.7	172.2	-63.8	0	0	0	0	110.5	V19 D23	V19-C21 PolarHBondContact O-N 3.19Å; C21-D23 PolarHBondContact O-N 3.13Å; C21-D23 VanDerWaalsContact O-N 3.17Å
22	L	89.8	Confident	89.3	Confident	150 Å²	150	110.1 Å²	110.1	79%	0.785	63%	0.625	S	S	*	*			trans	-65.6	112.9	168.3	177.3	64.8	0	0	0	109.2	N24	L22-N24 HydrophobicContact CD1-CB 4.47Å; L22-N24 HydrophobicContact CG-CB 4.35Å
23	D	91.8	Very high	90	Very high	127 Å²	127	108.4 Å²	108.4	68%	0.679	62%	0.621	S	S	*	*			trans	-107.3	87.1	171.9	-171.5	13.4	0	0	0	109.9	C21 G25 R28	C21-D23 PolarHBondContact O-N 3.13Å; C21-D23 VanDerWaalsContact O-N 3.17Å; D23-G25 PolarHBondContact OD1-N 3.17Å; D23-R28 IonicContact OD1-NH1 3.97Å
24	N	95.5	Very high	90.6	Very high	94 Å²	94	106.4 Å²	106.4	50%	0.503	61%	0.608	S	S	.	*			trans	-97.7	10.8	177.5	65.5	2.9	0	0	0	112.8	L22 L26	L22-N24 HydrophobicContact CD1-CB 4.47Å; L22-N24 HydrophobicContact CG-CB 4.35Å; N24-L26 PolarHBondContact O-N 3.43Å; N24-L26 WeakPolarHBondContact OD1-CB 3.44Å; N24-L26 PolarHBondContact OD1-N 3.35Å; N24-L26 VanDerWaalsContact OD1-N 3.13Å
25	G	95.9	Very high	91.4	Very high	49 Å²	49	103 Å²	103	51%	0.505	59%	0.59	S	S	.	*	S	Bend	trans	71.7	-0.7	-178.8	0	0	0	0	0	115.9	D23	D23-G25 PolarHBondContact OD1-N 3.17Å
26	L	95.2	Very high	92.2	Very high	111 Å²	111	98.9 Å²	98.9	58%	0.581	57%	0.565	S	S	*	*			trans	-92.6	169.9	179.3	-59.8	178.2	0	0	0	112	N24 R28	N24-L26 PolarHBondContact O-N 3.43Å; N24-L26 WeakPolarHBondContact OD1-CB 3.44Å; N24-L26 PolarHBondContact OD1-N 3.35Å; N24-L26 VanDerWaalsContact OD1-N 3.13Å; L26-R28 PolarHBondContact O-N 3.11Å; L26-R28 VanDerWaalsContact O-N 3.11Å
27	A	94.4	Very high	92.8	Very high	72 Å²	72	97.4 Å²	97.4	60%	0.595	55%	0.55	S	S	*	*			trans	51.5	35.4	175.3	0	0	0	0	0	115	T29	A27-T29 CarbonylContact C-O 3.31Å; A27-T29 VanDerWaalsContact C-O 3.31Å; A27-T29 PolarHBondContact O-N 3.19Å
28	R	94.8	Very high	93.4	Very high	197 Å²	197	99.7 Å²	99.7	74%	0.743	56%	0.561	S	S	*	*	S	Bend	trans	-61.7	-21	173.6	-57.3	-56.6	-62.4	-168.6	-1.9	113	D23 L26	D23-R28 IonicContact OD1-NH1 3.97Å; L26-R28 PolarHBondContact O-N 3.11Å; L26-R28 VanDerWaalsContact O-N 3.11Å
29	T	96	Very high	93.8	Very high	107 Å²	107	98.9 Å²	98.9	66%	0.656	56%	0.56	S	S	*	*	S	Bend	trans	-125.7	159.3	162	59.3	0	0	0	0	108.3	A27	A27-T29 CarbonylContact C-O 3.31Å; A27-T29 VanDerWaalsContact C-O 3.31Å; A27-T29 PolarHBondContact O-N 3.19Å
30	P	97.4	Very high	94.3	Very high	107 Å²	107	94 Å²	94	70%	0.695	53%	0.53	S	S	*	.			trans	-51	131.9	174.3	-27.9	35.9	0	0	0	111.6
31	P	97	Very high	94.8	Very high	91 Å²	91	89 Å²	89	59%	0.591	51%	0.507	S	S	*	.			trans	-67.3	138.2	179	27.8	-33.8	0	0	0	110.4	Y78	P31-Y78 HydrophobicContact CB-CD2 4.07Å; P31-Y78 HydrophobicContact CB-CE2 3.91Å
32	M	98.3	Very high	95.4	Very high	75 Å²	75	85.9 Å²	85.9	37%	0.369	49%	0.486	S	S	.	.			trans	-118.9	133.2	-179.8	-66.5	174.2	65.2	0	0	110.2	G75 Y76 K77 Y78	M32-G75 WeakPolarHBondContact CB-O 3.44Å; M32-Y76 HydrophobicContact CB-CD1 4.19Å; M32-Y76 HydrophobicContact CB-CG 4.43Å; M32-Y76 HydrophobicContact CE-CD1 4.36Å; M32-Y76 HydrophobicContact CE-CD2 3.88Å; M32-Y76 HydrophobicContact CE-CE1 4.03Å; M32-Y76 HydrophobicContact CE-CE2 3.5Å; M32-Y76 HydrophobicContact CE-CG 4.3Å; M32-Y76 CarbonylContact O-C 3.42Å; M32-K77 PolarHBondContact O-N 2.92Å; M32-Y78 WeakPolarHBondContact O-CD2 3.42Å; M32-Y78 PolarHBondContact O-N 3.3Å; M32-Y78 VanDerWaalsContact O-N 3.12Å
33	G	97.4	Very high	95.7	Very high	34 Å²	34	81.7 Å²	81.7	35%	0.351	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177.2	-163.7	-176.7	0	0	0	0	0	113.7	Y78	G33-Y78 CarbonylContact C-O 3.57Å; G33-Y78 WeakPolarHBondContact CA-O 3.42Å
34	W	97.9	Very high	96	Very high	51 Å²	51	78.2 Å²	78.2	19%	0.193	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.6	177.2	175.9	91.8	0	0	0	109.9	A39 I40 I59 T62 L66 Y78 V79 I80	W34-A39 HydrophobicContact CZ2-CB 4.08Å; W34-I40 HydrophobicContact CH2-CD1 3.73Å; W34-I40 HydrophobicContact CZ2-CD1 3.99Å; W34-I40 HydrophobicContact CZ2-CG1 4.46Å; W34-I59 HydrophobicContact CH2-CD1 3.87Å; W34-I59 HydrophobicContact CZ3-CD1 3.86Å; W34-T62 HydrophobicContact CD2-CG2 3.63Å; W34-T62 HydrophobicContact CE3-CG2 3.96Å; W34-T62 HydrophobicContact CG-CG2 4Å; W34-T62 HydrophobicContact CH2-CG2 4.25Å; W34-T62 HydrophobicContact CZ2-CG2 3.99Å; W34-T62 HydrophobicContact CZ3-CG2 4.26Å; W34-L66 HydrophobicContact CB-CD1 4.15Å; W34-L66 HydrophobicContact CB-CD2 4.44Å; W34-Y78 PolarHBondContact N-O 3.49Å; W34-V79 HydrophobicContact CE3-CG1 3.99Å; W34-V79 HydrophobicContact CZ3-CG1 4.18Å; W34-I80 PolarHBondContact O-N 3.36Å
35	N	97.5	Very high	96	Very high	51 Å²	51	76.3 Å²	76.3	27%	0.273	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.8	175.6	179.2	-43.4	0	0	0	109.1	W37 I80 D82	N35-W37 VanDerWaalsContact C-N 3.3Å; N35-W37 PolarHBondContact O-N 3.44Å; N35-W37 VanDerWaalsContact OD1-CB 3.29Å; N35-W37 WeakPolarHBondContact OD1-CB 3.46Å; N35-W37 PolarHBondContact OD1-N 3.13Å; N35-I80 WeakPolarHBondContact CA-O 3.25Å; N35-I80 HydrophobicContact CB-CB 4.15Å; N35-D82 PolarHBondContact ND2-OD2 3.26Å; N35-D82 WeakPolarHBondContact OD1-CB 3.49Å; N35-D82 PolarHBondContact OD1-OD2 2.98Å
36	S	97.1	Very high	96.1	Very high	1 Å²	1	75.7 Å²	75.7	1%	0.007	42%	0.422	C	S	.	.	H	α-helix	trans	-63.5	-29.1	-177.7	63.8	0	0	0	0	114.7	L38 A39 I40 D41 I80 D82	S36-L38 VanDerWaalsContact C-N 3.35Å; S36-L38 PolarHBondContact O-N 3.45Å; S36-A39 PolarHBondContact O-N 2.81Å; S36-I40 WeakPolarHBondContact O-CB 3.49Å; S36-I40 PolarHBondContact O-N 2.75Å; S36-D41 PolarHBondContact O-N 3.47Å; S36-I80 PolarHBondContact N-O 2.88Å; S36-D82 PolarHBondContact OG-N 3.44Å
37	W	96.4	Very high	96.2	Very high	106 Å²	106	76.5 Å²	76.5	40%	0.402	43%	0.432	S	S	.	.	H	α-helix	trans	-55.8	-47.1	-174.9	-169.6	-104.1	0	0	0	112.6	N35 A39 D41 C42 D82 D83	N35-W37 VanDerWaalsContact C-N 3.3Å; N35-W37 PolarHBondContact O-N 3.44Å; N35-W37 VanDerWaalsContact OD1-CB 3.29Å; N35-W37 WeakPolarHBondContact OD1-CB 3.46Å; N35-W37 PolarHBondContact OD1-N 3.13Å; W37-A39 VanDerWaalsContact C-N 3.29Å; W37-A39 PolarHBondContact O-N 2.99Å; W37-D41 WeakPolarHBondContact CH2-OD1 3.27Å; W37-D41 WeakPolarHBondContact CZ2-OD1 3.46Å; W37-D41 WeakPolarHBondContact CZ3-OD1 3.43Å; W37-D41 VanDerWaalsContact O-CA 3.29Å; W37-D41 WeakPolarHBondContact O-CA 3.39Å; W37-D41 PolarHBondContact O-N 2.89Å; W37-C42 HydrophobicContact CZ3-CB 4.42Å; W37-D82 HydrophobicContact CB-CB 3.71Å; W37-D82 HydrophobicContact CE3-CB 4.2Å; W37-D83 HydrophobicContact CE3-CB 4.29Å; W37-D83 HydrophobicContact CZ3-CB 3.81Å
38	L	93	Very high	96.3	Very high	169 Å²	169	78.4 Å²	78.4	89%	0.885	43%	0.432	S	S	*	.	H	α-helix	trans	-68.4	-29.1	-175.4	-174.1	63	0	0	0	113	S36	S36-L38 VanDerWaalsContact C-N 3.35Å; S36-L38 PolarHBondContact O-N 3.45Å
39	A	91.3	Very high	96.4	Very high	70 Å²	70	74.9 Å²	74.9	58%	0.579	42%	0.419	S	S	*	.	H	α-helix	trans	-103.6	-30.9	-172.4	0	0	0	0	0	114	W34 S36 W37	W34-A39 HydrophobicContact CZ2-CB 4.08Å; S36-A39 PolarHBondContact O-N 2.81Å; W37-A39 VanDerWaalsContact C-N 3.29Å; W37-A39 PolarHBondContact O-N 2.99Å
40	I	94.8	Very high	96.3	Very high	20 Å²	20	73 Å²	73	10%	0.103	41%	0.409	C	S	.	.	H	α-helix	trans	-120.1	-28.3	-172.2	-56.5	169.1	0	0	0	111.1	W34 S36 Q43 L54 V58	W34-I40 HydrophobicContact CH2-CD1 3.73Å; W34-I40 HydrophobicContact CZ2-CD1 3.99Å; W34-I40 HydrophobicContact CZ2-CG1 4.46Å; S36-I40 WeakPolarHBondContact O-CB 3.49Å; S36-I40 PolarHBondContact O-N 2.75Å; I40-Q43 HydrophobicContact CG2-CB 4.41Å; I40-Q43 WeakPolarHBondContact O-CB 3.46Å; I40-Q43 PolarHBondContact O-N 3.45Å; I40-L54 HydrophobicContact CD1-CD1 4.33Å; I40-L54 HydrophobicContact CG2-CB 3.87Å; I40-L54 HydrophobicContact CG2-CD1 4.35Å; I40-V58 HydrophobicContact CD1-CG1 3.44Å; I40-V58 VanDerWaalsContact CD1-CG1 3.44Å; I40-V58 HydrophobicContact CG1-CG1 4.31Å
41	D	94.8	Very high	96.1	Very high	85 Å²	85	73 Å²	73	46%	0.455	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	-149.5	-172	-170.7	9.5	0	0	0	110.4	S36 W37 Q43	S36-D41 PolarHBondContact O-N 3.47Å; W37-D41 WeakPolarHBondContact CH2-OD1 3.27Å; W37-D41 WeakPolarHBondContact CZ2-OD1 3.46Å; W37-D41 WeakPolarHBondContact CZ3-OD1 3.43Å; W37-D41 VanDerWaalsContact O-CA 3.29Å; W37-D41 WeakPolarHBondContact O-CA 3.39Å; W37-D41 PolarHBondContact O-N 2.89Å; D41-Q43 VanDerWaalsContact C-N 3.27Å; D41-Q43 PolarHBondContact O-N 3.28Å
42	C	96.5	Very high	95.9	Very high	37 Å²	37	73.8 Å²	73.8	25%	0.25	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	32	174.7	-163.4	0	0	0	0	113.5	W37 V44 C84	W37-C42 HydrophobicContact CZ3-CB 4.42Å; C42-V44 PolarHBondContact O-N 3.18Å; C42-C84 HydrophobicContact CB-CB 4Å; C42-C84 WeakPolarHBondContact CB-SG 3.48Å; C42-C84 WeakPolarHBondContact SG-CB 3.25Å; C42-C84 CovalentContact SG-SG 2.01Å; C42-C84 PolarHBondContact SG-SG 3.16Å
43	Q	97.5	Very high	95.8	Very high	62 Å²	62	70.2 Å²	70.2	29%	0.29	39%	0.385	S	S	.	.			trans	-69.6	101.6	176.4	178.3	53	-78.4	0	0	110.4	I40 D41 Y49 N52 C53 L54	I40-Q43 HydrophobicContact CG2-CB 4.41Å; I40-Q43 WeakPolarHBondContact O-CB 3.46Å; I40-Q43 PolarHBondContact O-N 3.45Å; D41-Q43 VanDerWaalsContact C-N 3.27Å; D41-Q43 PolarHBondContact O-N 3.28Å; Q43-Y49 VanDerWaalsContact NE2-CD2 3.3Å; Q43-N52 VanDerWaalsContact CG-O 3.26Å; Q43-N52 WeakPolarHBondContact CG-O 3.41Å; Q43-C53 HydrophobicContact CG-CB 4.16Å; Q43-C53 CarbonylContact O-C 3.43Å; Q43-C53 WeakPolarHBondContact O-CA 3.43Å; Q43-C53 WeakPolarHBondContact O-CB 3.43Å; Q43-L54 PolarHBondContact O-N 3.47Å
44	V	97	Very high	95.9	Very high	53 Å²	53	68.6 Å²	68.6	32%	0.321	37%	0.368	S	S	.	.			trans	-108.1	-2.4	-177.6	-62.4	0	0	0	0	114.1	C42 C46 C84	C42-V44 PolarHBondContact O-N 3.18Å; V44-C46 VanDerWaalsContact C-N 3.35Å; V44-C46 PolarHBondContact O-N 2.98Å; V44-C84 HydrophobicContact CG1-CB 3.97Å
45	D	97.2	Very high	95.8	Very high	54 Å²	54	66.9 Å²	66.9	29%	0.289	36%	0.363	S	S	.	.			trans	-79.2	84	177.2	-177.1	-4	0	0	0	111	V47 N48 Y49	D45-V47 VanDerWaalsContact C-N 3.26Å; D45-V47 PolarHBondContact O-N 3.19Å; D45-V47 PolarHBondContact OD1-N 3.37Å; D45-V47 VanDerWaalsContact OD1-N 3.14Å; D45-N48 PolarHBondContact OD1-N 3.32Å; D45-N48 PolarHBondContact OD1-ND2 3.47Å; D45-N48 WeakPolarHBondContact OD2-CB 3.45Å; D45-N48 PolarHBondContact OD2-ND2 2.99Å; D45-Y49 HydrophobicContact CB-CD2 4.09Å; D45-Y49 WeakPolarHBondContact O-CA 3.39Å; D45-Y49 WeakPolarHBondContact O-CB 3.47Å; D45-Y49 PolarHBondContact O-N 3.43Å
46	C	97.2	Very high	95.8	Very high	36 Å²	36	65.1 Å²	65.1	24%	0.243	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-6.5	177.8	-64.6	0	0	0	0	114.5	V44 P50 C53	V44-C46 VanDerWaalsContact C-N 3.35Å; V44-C46 PolarHBondContact O-N 2.98Å; C46-P50 WeakPolarHBondContact O-CA 3.36Å; C46-P50 WeakPolarHBondContact O-CB 3.46Å; C46-C53 WeakPolarHBondContact CA-SG 3.44Å; C46-C53 HydrophobicContact CB-CB 4Å; C46-C53 WeakPolarHBondContact CB-SG 3.38Å; C46-C53 WeakPolarHBondContact SG-CB 3.46Å; C46-C53 CovalentContact SG-SG 2.02Å; C46-C53 PolarHBondContact SG-SG 3.4Å
47	V	96.7	Very high	95.9	Very high	128 Å²	128	69.9 Å²	69.9	78%	0.776	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-49.2	175.2	177.5	0	0	0	0	109.1	D45	D45-V47 VanDerWaalsContact C-N 3.26Å; D45-V47 PolarHBondContact O-N 3.19Å; D45-V47 PolarHBondContact OD1-N 3.37Å; D45-V47 VanDerWaalsContact OD1-N 3.14Å
48	N	97.2	Very high	95.9	Very high	112 Å²	112	65.1 Å²	65.1	60%	0.599	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-27.5	-179.2	-63	-52.1	0	0	0	112.9	D45 P50	D45-N48 PolarHBondContact OD1-N 3.32Å; D45-N48 PolarHBondContact OD1-ND2 3.47Å; D45-N48 WeakPolarHBondContact OD2-CB 3.45Å; D45-N48 PolarHBondContact OD2-ND2 2.99Å; N48-P50 VanDerWaalsContact C-CD 3.41Å; N48-P50 WeakPolarHBondContact O-CD 3.07Å
49	Y	96.3	Very high	96.1	Very high	123 Å²	123	57 Å²	57	48%	0.482	32%	0.319	S	S	.	.			trans	-125.5	56.1	-178.5	-51.6	-81.3	0	0	0	112.6	Q43 D45 N51 N52 C53	Q43-Y49 VanDerWaalsContact NE2-CD2 3.3Å; D45-Y49 HydrophobicContact CB-CD2 4.09Å; D45-Y49 WeakPolarHBondContact O-CA 3.39Å; D45-Y49 WeakPolarHBondContact O-CB 3.47Å; D45-Y49 PolarHBondContact O-N 3.43Å; Y49-N51 PolarHBondContact O-N 3.47Å; Y49-N52 CarbonylContact O-C 3.51Å; Y49-N52 PolarHBondContact O-N 2.9Å; Y49-C53 WeakPolarHBondContact O-CB 3.17Å; Y49-C53 PolarHBondContact O-N 2.96Å
50	P	93.5	Very high	96.4	Very high	69 Å²	69	55.6 Å²	55.6	45%	0.448	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28	-171.8	23.9	-35.3	0	0	0	114	C46 N48 N55	C46-P50 WeakPolarHBondContact O-CA 3.36Å; C46-P50 WeakPolarHBondContact O-CB 3.46Å; N48-P50 VanDerWaalsContact C-CD 3.41Å; N48-P50 WeakPolarHBondContact O-CD 3.07Å; P50-N55 PolarHBondContact O-ND2 2.98Å; P50-N55 VanDerWaalsContact O-ND2 3.07Å
51	N	93.1	Very high	96.6	Very high	105 Å²	105	59.5 Å²	59.5	56%	0.561	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-14.5	179	-71.6	-45.5	0	0	0	114.3	Y49 V58 R61	Y49-N51 PolarHBondContact O-N 3.47Å; N51-V58 WeakPolarHBondContact O-CG2 3.4Å; N51-R61 PolarHBondContact O-NH2 3.22Å
52	N	93.8	Very high	96.7	Very high	109 Å²	109	56.7 Å²	56.7	58%	0.583	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	11.8	-173.8	-70	-17.3	0	0	0	113.1	Q43 Y49	Q43-N52 VanDerWaalsContact CG-O 3.26Å; Q43-N52 WeakPolarHBondContact CG-O 3.41Å; Y49-N52 CarbonylContact O-C 3.51Å; Y49-N52 PolarHBondContact O-N 2.9Å
53	C	96.8	Very high	96.8	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-91.9	155.7	167.8	74.2	0	0	0	0	111.3	Q43 C46 Y49 N55 V58	Q43-C53 HydrophobicContact CG-CB 4.16Å; Q43-C53 CarbonylContact O-C 3.43Å; Q43-C53 WeakPolarHBondContact O-CA 3.43Å; Q43-C53 WeakPolarHBondContact O-CB 3.43Å; C46-C53 WeakPolarHBondContact CA-SG 3.44Å; C46-C53 HydrophobicContact CB-CB 4Å; C46-C53 WeakPolarHBondContact CB-SG 3.38Å; C46-C53 WeakPolarHBondContact SG-CB 3.46Å; C46-C53 CovalentContact SG-SG 2.02Å; C46-C53 PolarHBondContact SG-SG 3.4Å; Y49-C53 WeakPolarHBondContact O-CB 3.17Å; Y49-C53 PolarHBondContact O-N 2.96Å; C53-N55 PolarHBondContact O-N 2.88Å; C53-N55 PolarHBondContact SG-ND2 3.18Å; C53-V58 VanDerWaalsContact O-CG2 3.28Å; C53-V58 WeakPolarHBondContact O-CG2 3.41Å
54	L	97.8	Very high	96.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-71.1	90.5	176.8	-175.4	67.4	0	0	0	110.2	I40 Q43 I59 I81 D83 C84 W85 R103 F104	I40-L54 HydrophobicContact CD1-CD1 4.33Å; I40-L54 HydrophobicContact CG2-CB 3.87Å; I40-L54 HydrophobicContact CG2-CD1 4.35Å; Q43-L54 PolarHBondContact O-N 3.47Å; L54-I59 HydrophobicContact CD1-CD1 4.18Å; L54-I81 HydrophobicContact CD1-CG2 4.31Å; L54-D83 VanDerWaalsContact CD2-O 3.28Å; L54-D83 WeakPolarHBondContact CD2-O 3.29Å; L54-C84 HydrophobicContact CD2-CB 4.09Å; L54-W85 HydrophobicContact CD2-CB 4.47Å; L54-R103 WeakPolarHBondContact O-CD 3.35Å; L54-R103 PolarHBondContact O-NH1 3.04Å; L54-F104 HydrophobicContact CG-CZ 4.08Å
55	N	97.5	Very high	96.9	Very high	14 Å²	14	57.9 Å²	57.9	8%	0.075	30%	0.298	C	S	.	.	S	Bend	trans	-136.8	166.6	177.2	73.5	46.8	0	0	0	112	P50 C53 N57 V58 I59 R103	P50-N55 PolarHBondContact O-ND2 2.98Å; P50-N55 VanDerWaalsContact O-ND2 3.07Å; C53-N55 PolarHBondContact O-N 2.88Å; C53-N55 PolarHBondContact SG-ND2 3.18Å; N55-N57 VanDerWaalsContact C-N 3.26Å; N55-N57 PolarHBondContact O-N 3.45Å; N55-N57 WeakPolarHBondContact OD1-CA 3.44Å; N55-N57 WeakPolarHBondContact OD1-CB 3.44Å; N55-N57 PolarHBondContact OD1-N 2.98Å; N55-V58 PolarHBondContact O-N 3.19Å; N55-V58 PolarHBondContact OD1-N 3.31Å; N55-I59 PolarHBondContact O-N 2.76Å; N55-R103 CarbonylContact C-O 3.48Å; N55-R103 WeakPolarHBondContact CA-O 3.45Å; N55-R103 HydrophobicContact CB-CB 4.09Å; N55-R103 WeakPolarHBondContact CB-O 3.46Å
56	E	97.5	Very high	97	Very high	14 Å²	14	56 Å²	56	7%	0.065	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-33.2	-177.3	63.4	166.3	-110.5	0	0	114	I59 K60 R103 F104 P105 S106	E56-I59 PolarHBondContact O-N 2.84Å; E56-K60 WeakPolarHBondContact O-CB 3.43Å; E56-K60 VanDerWaalsContact O-CG 3.23Å; E56-K60 WeakPolarHBondContact O-CG 3.44Å; E56-K60 PolarHBondContact O-N 3.33Å; E56-K60 IonicContact OE1-NZ 2.73Å; E56-K60 PolarHBondContact OE1-NZ 2.87Å; E56-R103 PolarHBondContact N-O 2.92Å; E56-F104 HydrophobicContact CB-CD1 3.85Å; E56-P105 HydrophobicContact CG-CG 4.5Å; E56-P105 VanDerWaalsContact OE2-CD 3.25Å; E56-P105 WeakPolarHBondContact OE2-CD 3.01Å; E56-P105 WeakPolarHBondContact OE2-CG 3.05Å; E56-S106 PolarHBondContact OE1-OG 3.49Å; E56-S106 VanDerWaalsContact OE1-OG 3.04Å; E56-S106 WeakPolarHBondContact OE2-CB 3.28Å; E56-S106 PolarHBondContact OE2-N 2.95Å; E56-S106 PolarHBondContact OE2-OG 3.42Å
57	N	97.4	Very high	97	Very high	102 Å²	102	56 Å²	56	55%	0.545	29%	0.287	S	S	.	.	H	α-helix	trans	-71.3	-38.2	-178	-68.5	-32.5	0	0	0	111.4	N55 K60 R61	N55-N57 VanDerWaalsContact C-N 3.26Å; N55-N57 PolarHBondContact O-N 3.45Å; N55-N57 WeakPolarHBondContact OD1-CA 3.44Å; N55-N57 WeakPolarHBondContact OD1-CB 3.44Å; N55-N57 PolarHBondContact OD1-N 2.98Å; N57-K60 PolarHBondContact O-N 3.1Å; N57-R61 VanDerWaalsContact O-CB 3.31Å; N57-R61 WeakPolarHBondContact O-CB 3.43Å; N57-R61 PolarHBondContact O-N 3.04Å
58	V	97	Very high	97.1	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.03	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-43.1	174.8	176.4	0	0	0	0	110.6	I40 N51 C53 N55 R61 T62	I40-V58 HydrophobicContact CD1-CG1 3.44Å; I40-V58 VanDerWaalsContact CD1-CG1 3.44Å; I40-V58 HydrophobicContact CG1-CG1 4.31Å; N51-V58 WeakPolarHBondContact O-CG2 3.4Å; C53-V58 VanDerWaalsContact O-CG2 3.28Å; C53-V58 WeakPolarHBondContact O-CG2 3.41Å; N55-V58 PolarHBondContact O-N 3.19Å; N55-V58 PolarHBondContact OD1-N 3.31Å; V58-R61 PolarHBondContact O-N 3.35Å; V58-T62 PolarHBondContact O-N 3.15Å; V58-T62 PolarHBondContact O-OG1 3.37Å; V58-T62 VanDerWaalsContact O-OG1 3.1Å
59	I	97.9	Very high	97.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-44.8	176.3	-54.4	-56	0	0	0	111.4	W34 L54 N55 E56 R61 T62 A63 V79 I81 F104 L111	W34-I59 HydrophobicContact CH2-CD1 3.87Å; W34-I59 HydrophobicContact CZ3-CD1 3.86Å; L54-I59 HydrophobicContact CD1-CD1 4.18Å; N55-I59 PolarHBondContact O-N 2.76Å; E56-I59 PolarHBondContact O-N 2.84Å; I59-R61 PolarHBondContact O-N 2.76Å; I59-T62 PolarHBondContact O-N 3.06Å; I59-A63 WeakPolarHBondContact O-CB 3.24Å; I59-A63 PolarHBondContact O-N 2.91Å; I59-V79 HydrophobicContact CG2-CG1 3.87Å; I59-I81 HydrophobicContact CD1-CD1 4.36Å; I59-I81 HydrophobicContact CD1-CG1 4.04Å; I59-I81 HydrophobicContact CG1-CD1 3.97Å; I59-I81 HydrophobicContact CG1-CG1 4.2Å; I59-I81 HydrophobicContact CG2-CD1 4.3Å; I59-I81 HydrophobicContact CG2-CG1 4.47Å; I59-F104 HydrophobicContact CG1-CE1 4.41Å; I59-L111 HydrophobicContact CB-CD1 4.19Å; I59-L111 HydrophobicContact CB-CD2 4.2Å; I59-L111 HydrophobicContact CG1-CD2 4.39Å; I59-L111 HydrophobicContact CG2-CD1 3.96Å; I59-L111 HydrophobicContact CG2-CD2 4.06Å; I59-L111 HydrophobicContact CG2-CG 4.3Å
60	K	98.2	Very high	97.3	Very high	39 Å²	39	47.8 Å²	47.8	17%	0.17	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-45.5	176.5	-72.6	171.7	178	169.2	0	111.7	E56 N57 A63 D64 L111 Y114	E56-K60 WeakPolarHBondContact O-CB 3.43Å; E56-K60 VanDerWaalsContact O-CG 3.23Å; E56-K60 WeakPolarHBondContact O-CG 3.44Å; E56-K60 PolarHBondContact O-N 3.33Å; E56-K60 IonicContact OE1-NZ 2.73Å; E56-K60 PolarHBondContact OE1-NZ 2.87Å; N57-K60 PolarHBondContact O-N 3.1Å; K60-A63 WeakPolarHBondContact O-CB 3.22Å; K60-A63 PolarHBondContact O-N 2.81Å; K60-D64 PolarHBondContact O-N 3.04Å; K60-L111 HydrophobicContact CG-CD1 3.9Å; K60-Y114 HydrophobicContact CB-CD1 4.26Å; K60-Y114 HydrophobicContact CB-CE1 3.62Å; K60-Y114 HydrophobicContact CD-CE2 4.49Å; K60-Y114 HydrophobicContact CG-CD1 3.7Å; K60-Y114 HydrophobicContact CG-CD2 4.45Å; K60-Y114 HydrophobicContact CG-CE1 3.57Å; K60-Y114 HydrophobicContact CG-CE2 4.33Å; K60-Y114 HydrophobicContact CG-CG 4.13Å
61	R	97.5	Very high	97.5	Very high	103 Å²	103	50.1 Å²	50.1	39%	0.389	26%	0.258	S	S	.	.	H	α-helix	trans	-63.2	-41.5	177	-175.8	179.8	65.4	-146.3	-0.2	112.4	N51 N57 V58 I59 A63 D64 K65	N51-R61 PolarHBondContact O-NH2 3.22Å; N57-R61 VanDerWaalsContact O-CB 3.31Å; N57-R61 WeakPolarHBondContact O-CB 3.43Å; N57-R61 PolarHBondContact O-N 3.04Å; V58-R61 PolarHBondContact O-N 3.35Å; I59-R61 PolarHBondContact O-N 2.76Å; R61-A63 VanDerWaalsContact C-N 3.34Å; R61-D64 WeakPolarHBondContact O-CB 3.32Å; R61-D64 PolarHBondContact O-N 3.08Å; R61-K65 PolarHBondContact O-N 3.1Å
62	T	97.3	Very high	97.8	Very high	26 Å²	26	47.5 Å²	47.5	16%	0.16	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-42.1	174.2	-62.9	0	0	0	0	111.1	W34 V58 I59 D64 K65 L66	W34-T62 HydrophobicContact CD2-CG2 3.63Å; W34-T62 HydrophobicContact CE3-CG2 3.96Å; W34-T62 HydrophobicContact CG-CG2 4Å; W34-T62 HydrophobicContact CH2-CG2 4.25Å; W34-T62 HydrophobicContact CZ2-CG2 3.99Å; W34-T62 HydrophobicContact CZ3-CG2 4.26Å; V58-T62 PolarHBondContact O-N 3.15Å; V58-T62 PolarHBondContact O-OG1 3.37Å; V58-T62 VanDerWaalsContact O-OG1 3.1Å; I59-T62 PolarHBondContact O-N 3.06Å; T62-D64 PolarHBondContact O-N 2.91Å; T62-K65 PolarHBondContact O-N 3.03Å; T62-K65 VanDerWaalsContact O-N 3.16Å; T62-L66 HydrophobicContact CG2-CD1 4.42Å; T62-L66 WeakPolarHBondContact O-CG 3.48Å; T62-L66 PolarHBondContact O-N 3.21Å
63	A	98.5	Very high	98	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-41.1	175.7	0	0	0	0	0	112.3	I59 K60 R61 K65 L66 V67 Y114 L115 K118 L120	I59-A63 WeakPolarHBondContact O-CB 3.24Å; I59-A63 PolarHBondContact O-N 2.91Å; K60-A63 WeakPolarHBondContact O-CB 3.22Å; K60-A63 PolarHBondContact O-N 2.81Å; R61-A63 VanDerWaalsContact C-N 3.34Å; A63-K65 VanDerWaalsContact C-N 3.3Å; A63-K65 PolarHBondContact O-N 2.81Å; A63-L66 PolarHBondContact O-N 3.12Å; A63-V67 WeakPolarHBondContact O-CG2 3.25Å; A63-V67 PolarHBondContact O-N 2.93Å; A63-Y114 HydrophobicContact CB-CE1 4.25Å; A63-L115 HydrophobicContact CB-CD2 3.41Å; A63-L115 VanDerWaalsContact CB-CD2 3.41Å; A63-K118 HydrophobicContact CB-CD 4.16Å; A63-L120 HydrophobicContact CB-CD1 3.68Å
64	D	98.6	Very high	98.1	Very high	67 Å²	67	53.9 Å²	53.9	36%	0.358	27%	0.274	S	S	.	.	H	α-helix	trans	-57.1	-44.6	171.6	-76.2	-33.6	0	0	0	111.4	K60 R61 T62 V67 S68 Y114 K118	K60-D64 PolarHBondContact O-N 3.04Å; R61-D64 WeakPolarHBondContact O-CB 3.32Å; R61-D64 PolarHBondContact O-N 3.08Å; T62-D64 PolarHBondContact O-N 2.91Å; D64-V67 PolarHBondContact O-N 3.11Å; D64-S68 WeakPolarHBondContact O-CB 3.38Å; D64-S68 PolarHBondContact O-N 3.33Å; D64-S68 PolarHBondContact O-OG 2.74Å; D64-Y114 VanDerWaalsContact CG-OH 3.27Å; D64-Y114 PolarHBondContact OD1-OH 2.82Å; D64-Y114 PolarHBondContact OD2-OH 3.33Å; D64-K118 WeakPolarHBondContact OD1-CE 2.98Å; D64-K118 IonicContact OD1-NZ 2.58Å; D64-K118 PolarHBondContact OD1-NZ 3.17Å
65	K	98.3	Very high	98.1	Very high	109 Å²	109	55.1 Å²	55.1	47%	0.474	29%	0.286	S	S	.	.	H	α-helix	trans	-68.1	-38.4	178.7	-74.2	-52.8	-155.2	162.9	0	114.3	R61 T62 A63 V67 D69	R61-K65 PolarHBondContact O-N 3.1Å; T62-K65 PolarHBondContact O-N 3.03Å; T62-K65 VanDerWaalsContact O-N 3.16Å; A63-K65 VanDerWaalsContact C-N 3.3Å; A63-K65 PolarHBondContact O-N 2.81Å; K65-V67 PolarHBondContact O-N 3.03Å; K65-D69 IonicContact NZ-OD1 3.8Å; K65-D69 PolarHBondContact NZ-OD1 3.48Å; K65-D69 IonicContact NZ-OD2 3.03Å; K65-D69 VanDerWaalsContact O-CB 3.24Å; K65-D69 WeakPolarHBondContact O-CB 3.41Å; K65-D69 PolarHBondContact O-N 3.27Å
66	L	98.4	Very high	98.1	Very high	14 Å²	14	58.3 Å²	58.3	7%	0.073	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-32.1	173.1	-73.2	171.1	0	0	0	111.9	W34 T62 A63 W71 R72 V79 L120	W34-L66 HydrophobicContact CB-CD1 4.15Å; W34-L66 HydrophobicContact CB-CD2 4.44Å; T62-L66 HydrophobicContact CG2-CD1 4.42Å; T62-L66 WeakPolarHBondContact O-CG 3.48Å; T62-L66 PolarHBondContact O-N 3.21Å; A63-L66 PolarHBondContact O-N 3.12Å; L66-W71 HydrophobicContact CB-CB 4.49Å; L66-W71 HydrophobicContact CD2-CB 3.72Å; L66-W71 HydrophobicContact CD2-CG 4.13Å; L66-W71 WeakPolarHBondContact O-CB 3.49Å; L66-W71 PolarHBondContact O-N 3.3Å; L66-W71 VanDerWaalsContact O-N 3.1Å; L66-R72 PolarHBondContact O-N 3.28Å; L66-V79 HydrophobicContact CD1-CG2 3.53Å; L66-L120 HydrophobicContact CB-CD1 4.48Å; L66-L120 HydrophobicContact CB-CD2 4.39Å; L66-L120 HydrophobicContact CD1-CD1 4.5Å; L66-L120 HydrophobicContact CD1-CD2 4.46Å
67	V	98.7	Very high	98.1	Very high	38 Å²	38	62 Å²	62	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-83.3	-54.7	176.4	178.6	0	0	0	0	111.7	A63 D64 K65 D69 G70 K118 L120	A63-V67 WeakPolarHBondContact O-CG2 3.25Å; A63-V67 PolarHBondContact O-N 2.93Å; D64-V67 PolarHBondContact O-N 3.11Å; K65-V67 PolarHBondContact O-N 3.03Å; V67-D69 VanDerWaalsContact C-N 3.27Å; V67-D69 PolarHBondContact O-N 2.94Å; V67-G70 PolarHBondContact O-N 2.99Å; V67-K118 HydrophobicContact CG2-CB 3.98Å; V67-K118 HydrophobicContact CG2-CD 4.34Å; V67-K118 HydrophobicContact CG2-CG 4.47Å; V67-L120 HydrophobicContact CG2-CD1 4.27Å
68	S	98.5	Very high	98.2	Very high	80 Å²	80	60.5 Å²	60.5	56%	0.559	30%	0.301	S	S	*	.	H	α-helix	trans	-64.9	-32	-172.4	67.2	0	0	0	0	113.1	D64	D64-S68 WeakPolarHBondContact O-CB 3.38Å; D64-S68 PolarHBondContact O-N 3.33Å; D64-S68 PolarHBondContact O-OG 2.74Å
69	D	98.5	Very high	98.2	Very high	87 Å²	87	60.2 Å²	60.2	47%	0.465	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	4.4	-176.6	-54.4	-0.9	0	0	0	111.5	K65 V67	K65-D69 IonicContact NZ-OD1 3.8Å; K65-D69 PolarHBondContact NZ-OD1 3.48Å; K65-D69 IonicContact NZ-OD2 3.03Å; K65-D69 VanDerWaalsContact O-CB 3.24Å; K65-D69 WeakPolarHBondContact O-CB 3.41Å; K65-D69 PolarHBondContact O-N 3.27Å; V67-D69 VanDerWaalsContact C-N 3.27Å; V67-D69 PolarHBondContact O-N 2.94Å
70	G	98.5	Very high	98.2	Very high	23 Å²	23	62.7 Å²	62.7	24%	0.237	31%	0.312	C	S	.	.	S	Bend	trans	87.1	-1.4	170.9	0	0	0	0	0	116.6	V67 R72 D73 L74	V67-G70 PolarHBondContact O-N 2.99Å; G70-R72 VanDerWaalsContact C-N 3.35Å; G70-R72 PolarHBondContact O-N 3.48Å; G70-D73 PolarHBondContact O-N 3.04Å; G70-D73 VanDerWaalsContact O-N 3.1Å; G70-L74 PolarHBondContact O-N 3.24Å
71	W	98.7	Very high	98.2	Very high	118 Å²	118	60.9 Å²	60.9	45%	0.447	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-41.2	-178.3	-63.6	101.5	0	0	0	113.7	L66 D73 L74 G75 Y76	L66-W71 HydrophobicContact CB-CB 4.49Å; L66-W71 HydrophobicContact CD2-CB 3.72Å; L66-W71 HydrophobicContact CD2-CG 4.13Å; L66-W71 WeakPolarHBondContact O-CB 3.49Å; L66-W71 PolarHBondContact O-N 3.3Å; L66-W71 VanDerWaalsContact O-N 3.1Å; W71-D73 PolarHBondContact O-N 3.24Å; W71-L74 PolarHBondContact O-N 2.8Å; W71-G75 PolarHBondContact O-N 3.24Å; W71-Y76 HydrophobicContact CB-CD2 4.36Å; W71-Y76 HydrophobicContact CB-CG 4.49Å; W71-Y76 AromaticContact CE3-CD2 3.79Å; W71-Y76 HydrophobicContact CE3-CD2 3.79Å; W71-Y76 AromaticContact CE3-CE2 3.73Å; W71-Y76 HydrophobicContact CE3-CE2 3.73Å; W71-Y76 HydrophobicContact CE3-CG 4.38Å; W71-Y76 HydrophobicContact CZ3-CE2 4.07Å; W71-Y76 WeakPolarHBondContact O-CB 3.44Å; W71-Y76 WeakPolarHBondContact O-CD2 3.29Å; W71-Y76 PolarHBondContact O-N 2.9Å
72	R	98.2	Very high	98.2	Very high	50 Å²	50	57.3 Å²	57.3	19%	0.189	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-42.1	176.5	-178.7	-160.3	64.4	-160.8	-7.1	111.3	L66 G70 L74 G75 Y76 K77 K118 L120	L66-R72 PolarHBondContact O-N 3.28Å; G70-R72 VanDerWaalsContact C-N 3.35Å; G70-R72 PolarHBondContact O-N 3.48Å; R72-L74 VanDerWaalsContact C-N 3.27Å; R72-L74 PolarHBondContact O-N 2.58Å; R72-G75 PolarHBondContact O-N 3.03Å; R72-Y76 WeakPolarHBondContact CA-O 3.35Å; R72-K77 HydrophobicContact CG-CG 4.38Å; R72-K118 VanDerWaalsContact CD-O 3.27Å; R72-K118 WeakPolarHBondContact CD-O 3.26Å; R72-K118 PolarHBondContact NH1-O 2.86Å; R72-L120 HydrophobicContact CB-CD2 4.09Å; R72-L120 HydrophobicContact CG-CD2 3.87Å
73	D	98.3	Very high	98.1	Very high	115 Å²	115	56.6 Å²	56.6	62%	0.615	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-23.9	-175.5	-61.4	-11.6	0	0	0	111.2	G70 W71 G75	G70-D73 PolarHBondContact O-N 3.04Å; G70-D73 VanDerWaalsContact O-N 3.1Å; W71-D73 PolarHBondContact O-N 3.24Å; D73-G75 VanDerWaalsContact C-N 3.28Å
74	L	98.4	Very high	98	Very high	127 Å²	127	56.6 Å²	56.6	67%	0.665	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-2.4	167.6	-64	177.3	0	0	0	114.1	G70 W71 R72 Y76	G70-L74 PolarHBondContact O-N 3.24Å; W71-L74 PolarHBondContact O-N 2.8Å; R72-L74 VanDerWaalsContact C-N 3.27Å; R72-L74 PolarHBondContact O-N 2.58Å; L74-Y76 HydrophobicContact CB-CD2 4.24Å; L74-Y76 HydrophobicContact CB-CE2 4.41Å
75	G	98.2	Very high	97.9	Very high	26 Å²	26	54 Å²	54	27%	0.268	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.9	-5.6	175.1	0	0	0	0	0	115.9	M32 W71 R72 D73 K77	M32-G75 WeakPolarHBondContact CB-O 3.44Å; W71-G75 PolarHBondContact O-N 3.24Å; R72-G75 PolarHBondContact O-N 3.03Å; D73-G75 VanDerWaalsContact C-N 3.28Å; G75-K77 VanDerWaalsContact C-N 3.33Å; G75-K77 PolarHBondContact O-N 2.76Å
76	Y	98.3	Very high	97.8	Very high	82 Å²	82	48.9 Å²	48.9	32%	0.322	25%	0.251	S	S	.	.			trans	-74.2	83.8	176.2	-63.6	-95.2	0	0	0	110.7	M32 W71 R72 L74	M32-Y76 HydrophobicContact CB-CD1 4.19Å; M32-Y76 HydrophobicContact CB-CG 4.43Å; M32-Y76 HydrophobicContact CE-CD1 4.36Å; M32-Y76 HydrophobicContact CE-CD2 3.88Å; M32-Y76 HydrophobicContact CE-CE1 4.03Å; M32-Y76 HydrophobicContact CE-CE2 3.5Å; M32-Y76 HydrophobicContact CE-CG 4.3Å; M32-Y76 CarbonylContact O-C 3.42Å; W71-Y76 HydrophobicContact CB-CD2 4.36Å; W71-Y76 HydrophobicContact CB-CG 4.49Å; W71-Y76 AromaticContact CE3-CD2 3.79Å; W71-Y76 HydrophobicContact CE3-CD2 3.79Å; W71-Y76 AromaticContact CE3-CE2 3.73Å; W71-Y76 HydrophobicContact CE3-CE2 3.73Å; W71-Y76 HydrophobicContact CE3-CG 4.38Å; W71-Y76 HydrophobicContact CZ3-CE2 4.07Å; W71-Y76 WeakPolarHBondContact O-CB 3.44Å; W71-Y76 WeakPolarHBondContact O-CD2 3.29Å; W71-Y76 PolarHBondContact O-N 2.9Å; R72-Y76 WeakPolarHBondContact CA-O 3.35Å; L74-Y76 HydrophobicContact CB-CD2 4.24Å; L74-Y76 HydrophobicContact CB-CE2 4.41Å
77	K	97.7	Very high	97.6	Very high	90 Å²	90	49.3 Å²	49.3	39%	0.391	26%	0.255	S	S	.	.			trans	-102	-27.5	-171	-69.1	178.2	-178.3	-179.2	0	113.8	M32 R72 G75 L120 L121	M32-K77 PolarHBondContact O-N 2.92Å; R72-K77 HydrophobicContact CG-CG 4.38Å; G75-K77 VanDerWaalsContact C-N 3.33Å; G75-K77 PolarHBondContact O-N 2.76Å; K77-L120 CarbonylContact O-C 3.54Å; K77-L120 WeakPolarHBondContact O-CA 3.42Å; K77-L121 HydrophobicContact CB-CD1 4.26Å; K77-L121 HydrophobicContact CB-CG 4.41Å; K77-L121 PolarHBondContact O-N 3.03Å
78	Y	98.3	Very high	97.2	Very high	71 Å²	71	54.5 Å²	54.5	28%	0.278	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	134.5	-178	-70.3	-89.8	0	0	0	111.5	P31 M32 G33 W34 L121	P31-Y78 HydrophobicContact CB-CD2 4.07Å; P31-Y78 HydrophobicContact CB-CE2 3.91Å; M32-Y78 WeakPolarHBondContact O-CD2 3.42Å; M32-Y78 PolarHBondContact O-N 3.3Å; M32-Y78 VanDerWaalsContact O-N 3.12Å; G33-Y78 CarbonylContact C-O 3.57Å; G33-Y78 WeakPolarHBondContact CA-O 3.42Å; W34-Y78 PolarHBondContact N-O 3.49Å; Y78-L121 CarbonylContact C-O 3.54Å; Y78-L121 WeakPolarHBondContact CA-O 3.29Å; Y78-L121 HydrophobicContact CD1-CB 3.7Å; Y78-L121 HydrophobicContact CD1-CD1 4.16Å; Y78-L121 HydrophobicContact CD2-CD1 4.21Å; Y78-L121 HydrophobicContact CE1-CB 3.86Å; Y78-L121 HydrophobicContact CE1-CD1 3.67Å; Y78-L121 HydrophobicContact CE1-CG 4.41Å; Y78-L121 HydrophobicContact CE2-CD1 3.72Å; Y78-L121 HydrophobicContact CG-CB 4.19Å; Y78-L121 HydrophobicContact CG-CD1 4.42Å; Y78-L121 VanDerWaalsContact CZ-CD1 3.43Å
79	V	98.4	Very high	96.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	109.3	167	178.3	0	0	0	0	107	W34 I59 L66 L115 L120 L121 G123	W34-V79 HydrophobicContact CE3-CG1 3.99Å; W34-V79 HydrophobicContact CZ3-CG1 4.18Å; I59-V79 HydrophobicContact CG2-CG1 3.87Å; L66-V79 HydrophobicContact CD1-CG2 3.53Å; V79-L115 HydrophobicContact CB-CD1 4.03Å; V79-L115 HydrophobicContact CB-CD2 4.08Å; V79-L115 HydrophobicContact CG1-CD1 4.16Å; V79-L115 HydrophobicContact CG1-CD2 4.12Å; V79-L115 HydrophobicContact CG2-CD2 4.02Å; V79-L120 HydrophobicContact CG2-CB 4.41Å; V79-L120 HydrophobicContact CG2-CD1 4.05Å; V79-L121 PolarHBondContact N-O 3.07Å; V79-G123 PolarHBondContact O-N 2.95Å
80	I	97.8	Very high	96.4	Very high	52 Å²	52	55.1 Å²	55.1	27%	0.267	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123.4	-174.1	-53.9	175.7	0	0	0	109	W34 N35 S36 G123	W34-I80 PolarHBondContact O-N 3.36Å; N35-I80 WeakPolarHBondContact CA-O 3.25Å; N35-I80 HydrophobicContact CB-CB 4.15Å; S36-I80 PolarHBondContact N-O 2.88Å; I80-G123 WeakPolarHBondContact CA-O 3.4Å
81	I	97.4	Very high	96	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113.6	169	-58.1	179.4	0	0	0	107.8	L54 I59 W85 F104 M108 L111 F122 G123 I124 T125	L54-I81 HydrophobicContact CD1-CG2 4.31Å; I59-I81 HydrophobicContact CD1-CD1 4.36Å; I59-I81 HydrophobicContact CD1-CG1 4.04Å; I59-I81 HydrophobicContact CG1-CD1 3.97Å; I59-I81 HydrophobicContact CG1-CG1 4.2Å; I59-I81 HydrophobicContact CG2-CD1 4.3Å; I59-I81 HydrophobicContact CG2-CG1 4.47Å; I81-W85 HydrophobicContact CG2-CB 3.65Å; I81-W85 HydrophobicContact CG2-CG 4.12Å; I81-F104 HydrophobicContact CD1-CE1 4.22Å; I81-M108 HydrophobicContact CD1-SD 4.32Å; I81-L111 HydrophobicContact CD1-CD2 3.5Å; I81-F122 HydrophobicContact CD1-CE2 3.66Å; I81-F122 HydrophobicContact CD1-CZ 4.19Å; I81-F122 HydrophobicContact CG1-CE2 3.95Å; I81-G123 PolarHBondContact N-O 3.25Å; I81-I124 WeakPolarHBondContact O-CA 2.97Å; I81-T125 PolarHBondContact O-N 2.88Å
82	D	96.7	Very high	95.6	Very high	29 Å²	29	56.2 Å²	56.2	16%	0.155	28%	0.279	C	S	.	.			trans	-80.4	-164.1	177.8	-140.3	-77.2	0	0	0	112	N35 S36 W37 W85 T125	N35-D82 PolarHBondContact ND2-OD2 3.26Å; N35-D82 WeakPolarHBondContact OD1-CB 3.49Å; N35-D82 PolarHBondContact OD1-OD2 2.98Å; S36-D82 PolarHBondContact OG-N 3.44Å; W37-D82 HydrophobicContact CB-CB 3.71Å; W37-D82 HydrophobicContact CE3-CB 4.2Å; D82-W85 VanDerWaalsContact O-CD1 3.24Å; D82-T125 PolarHBondContact OD2-OG1 2.73Å
83	D	95.7	Very high	95.2	Very high	10 Å²	10	63.1 Å²	63.1	5%	0.053	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	164.8	-177.6	-151.9	-12.5	0	0	0	113.6	W37 L54 W85 T132 C133 S134	W37-D83 HydrophobicContact CE3-CB 4.29Å; W37-D83 HydrophobicContact CZ3-CB 3.81Å; L54-D83 VanDerWaalsContact CD2-O 3.28Å; L54-D83 WeakPolarHBondContact CD2-O 3.29Å; D83-W85 VanDerWaalsContact C-N 3.35Å; D83-W85 PolarHBondContact O-N 2.88Å; D83-T132 VanDerWaalsContact CG-CB 3.44Å; D83-T132 WeakPolarHBondContact OD1-CB 3.45Å; D83-T132 PolarHBondContact OD1-OG1 2.72Å; D83-T132 WeakPolarHBondContact OD2-CB 3.33Å; D83-T132 PolarHBondContact OD2-OG1 2.75Å; D83-C133 PolarHBondContact OD2-N 3.4Å; D83-S134 WeakPolarHBondContact OD2-CB 3.18Å; D83-S134 PolarHBondContact OD2-N 3.21Å; D83-S134 PolarHBondContact OD2-OG 2.92Å
84	C	96.6	Very high	94.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	9.2	175.9	-44.7	0	0	0	0	116.7	C42 V44 L54 R103 S134 Y136	C42-C84 HydrophobicContact CB-CB 4Å; C42-C84 WeakPolarHBondContact CB-SG 3.48Å; C42-C84 WeakPolarHBondContact SG-CB 3.25Å; C42-C84 CovalentContact SG-SG 2.01Å; C42-C84 PolarHBondContact SG-SG 3.16Å; V44-C84 HydrophobicContact CG1-CB 3.97Å; L54-C84 HydrophobicContact CD2-CB 4.09Å; C84-R103 PolarHBondContact O-NH1 3.13Å; C84-R103 PolarHBondContact O-NH2 2.92Å; C84-S134 WeakPolarHBondContact SG-CB 3.24Å; C84-S134 PolarHBondContact SG-OG 3.03Å; C84-Y136 VanDerWaalsContact CA-CE2 3.48Å; C84-Y136 HydrophobicContact CB-CD2 4.23Å; C84-Y136 HydrophobicContact CB-CE2 3.58Å; C84-Y136 VanDerWaalsContact SG-CE2 3.55Å
85	W	96.8	Very high	94.3	Very high	13 Å²	13	57.9 Å²	57.9	5%	0.049	29%	0.287	C	S	.	.			trans	-78.2	-22.2	171	69.5	-88.7	0	0	0	113.9	L54 I81 D82 D83 L97 P99 D100 F104 M108 I124 T125 I126	L54-W85 HydrophobicContact CD2-CB 4.47Å; I81-W85 HydrophobicContact CG2-CB 3.65Å; I81-W85 HydrophobicContact CG2-CG 4.12Å; D82-W85 VanDerWaalsContact O-CD1 3.24Å; D83-W85 VanDerWaalsContact C-N 3.35Å; D83-W85 PolarHBondContact O-N 2.88Å; W85-L97 HydrophobicContact CH2-CB 4.23Å; W85-P99 HydrophobicContact CE3-CB 3.78Å; W85-P99 HydrophobicContact CZ3-CB 3.96Å; W85-P99 WeakPolarHBondContact O-CA 3.41Å; W85-D100 PolarHBondContact O-N 3.29Å; W85-F104 HydrophobicContact CB-CE2 3.93Å; W85-F104 HydrophobicContact CB-CZ 4.12Å; W85-M108 HydrophobicContact CE3-CE 4.42Å; W85-M108 HydrophobicContact CE3-CG 4.06Å; W85-M108 HydrophobicContact CE3-SD 4.06Å; W85-M108 HydrophobicContact CZ3-CG 3.82Å; W85-M108 HydrophobicContact CZ3-SD 4.41Å; W85-I124 HydrophobicContact CD2-CD1 3.76Å; W85-I124 HydrophobicContact CD2-CG1 4.17Å; W85-I124 HydrophobicContact CE3-CD1 4Å; W85-I124 HydrophobicContact CG-CD1 4.49Å; W85-I124 HydrophobicContact CH2-CD1 3.56Å; W85-I124 HydrophobicContact CZ2-CD1 3.28Å; W85-I124 HydrophobicContact CZ2-CG1 3.8Å; W85-I124 HydrophobicContact CZ3-CD1 3.92Å; W85-T125 PolarHBondContact NE1-O 3.22Å; W85-I126 HydrophobicContact CZ2-CG2 4.05Å
86	L	95.3	Very high	93.9	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-69.4	150	-173	-73.8	167.3	0	0	0	113	L97 M98 T132 Y136 L137	L86-L97 HydrophobicContact CD2-CB 3.75Å; L86-L97 HydrophobicContact CD2-CD1 4.15Å; L86-L97 HydrophobicContact CD2-CD2 3.86Å; L86-L97 HydrophobicContact CD2-CG 4.12Å; L86-M98 CarbonylContact C-O 3.44Å; L86-M98 WeakPolarHBondContact CA-O 3.38Å; L86-T132 HydrophobicContact CD1-CG2 4.05Å; L86-Y136 HydrophobicContact CB-CD1 3.75Å; L86-Y136 HydrophobicContact CB-CG 4.17Å; L86-Y136 WeakPolarHBondContact O-CD1 3.41Å; L86-Y136 WeakPolarHBondContact O-CE1 3.23Å; L86-L137 VanDerWaalsContact CD1-O 3.25Å; L86-L137 WeakPolarHBondContact CD1-O 3.46Å
87	S	93.9	Very high	93.5	Very high	22 Å²	22	58.2 Å²	58.2	15%	0.154	28%	0.282	C	S	.	.			trans	-66.7	156.3	156.9	176.3	0	0	0	0	110.1	L89 M98	S87-L89 WeakPolarHBondContact CB-O 3.47Å; S87-L89 PolarHBondContact O-N 3.24Å; S87-L89 PolarHBondContact OG-N 3Å; S87-L89 PolarHBondContact OG-O 2.81Å; S87-M98 WeakPolarHBondContact CB-O 3.08Å; S87-M98 PolarHBondContact N-O 2.78Å
88	R	91.2	Very high	93.3	Very high	148 Å²	148	56.9 Å²	56.9	56%	0.558	28%	0.278	S	S	*	.	S	Bend	trans	-69.7	-16.9	172.6	-64.8	-63.8	-174.1	177.4	-2.4	113	G135 L137	R88-G135 PolarHBondContact NH1-O 3.35Å; R88-L137 WeakPolarHBondContact O-CD1 3.16Å
89	L	90.1	Very high	93.1	Very high	128 Å²	128	54.7 Å²	54.7	67%	0.67	27%	0.272	S	S	*	.	S	Bend	trans	-124.3	149.9	-178.2	-60.5	176.1	0	0	0	110.8	S87	S87-L89 WeakPolarHBondContact CB-O 3.47Å; S87-L89 PolarHBondContact O-N 3.24Å; S87-L89 PolarHBondContact OG-N 3Å; S87-L89 PolarHBondContact OG-O 2.81Å
90	R	89.5	Confident	93.1	Very high	51 Å²	51	56.2 Å²	56.2	19%	0.192	28%	0.28	C	S	.	.			trans	-74.3	161	166.1	-64.7	179.6	168.2	-84.3	-5.4	109.7	V95 R96 L137 G138 A142	R90-V95 WeakPolarHBondContact CD-O 3.38Å; R90-V95 PolarHBondContact NH1-O 2.92Å; R90-R96 VanDerWaalsContact CA-O 3.32Å; R90-R96 WeakPolarHBondContact CA-O 3.25Å; R90-R96 WeakPolarHBondContact CB-O 3.28Å; R90-L137 HydrophobicContact CG-CD1 3.75Å; R90-G138 PolarHBondContact NH2-O 3.19Å; R90-A142 VanDerWaalsContact NH2-CB 3.32Å
91	D	90.4	Very high	92.9	Very high	43 Å²	43	58 Å²	58	23%	0.23	30%	0.295	C	S	.	.			trans	-59.8	124.4	169.6	-179.9	-80.7	0	0	0	109.5	K93 T94 V95 R96 M98	D91-K93 PolarHBondContact O-N 2.85Å; D91-K93 WeakPolarHBondContact OD1-CA 3.31Å; D91-K93 WeakPolarHBondContact OD1-CB 3.34Å; D91-K93 PolarHBondContact OD1-N 2.91Å; D91-T94 VanDerWaalsContact CB-OG1 3.25Å; D91-T94 WeakPolarHBondContact CB-OG1 3.46Å; D91-T94 PolarHBondContact OD1-N 3.47Å; D91-T94 PolarHBondContact OD1-OG1 2.98Å; D91-V95 WeakPolarHBondContact O-CA 3.48Å; D91-V95 PolarHBondContact O-N 2.84Å; D91-R96 PolarHBondContact N-O 2.99Å; D91-M98 WeakPolarHBondContact CA-SD 3.13Å; D91-M98 HydrophobicContact CB-CG 3.81Å; D91-M98 HydrophobicContact CB-SD 3.57Å; D91-M98 VanDerWaalsContact CB-SD 3.57Å; D91-M98 PolarHBondContact N-SD 3.22Å; D91-M98 VanDerWaalsContact N-SD 3.43Å
92	P	90.5	Very high	92.9	Very high	121 Å²	121	62.6 Å²	62.6	79%	0.786	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.9	-172.2	26.8	-35	0	0	0	113.5
93	K	90.9	Very high	92.9	Very high	195 Å²	195	61.5 Å²	61.5	85%	0.848	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-40.7	-179.6	-64.5	-178.1	178.8	179.5	0	112.1	D91	D91-K93 PolarHBondContact O-N 2.85Å; D91-K93 WeakPolarHBondContact OD1-CA 3.31Å; D91-K93 WeakPolarHBondContact OD1-CB 3.34Å; D91-K93 PolarHBondContact OD1-N 2.91Å
94	T	89.3	Confident	93	Very high	60 Å²	60	61.2 Å²	61.2	37%	0.368	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-13.1	-171.3	63.9	0	0	0	0	113.4	D91 R96 I145	D91-T94 VanDerWaalsContact CB-OG1 3.25Å; D91-T94 WeakPolarHBondContact CB-OG1 3.46Å; D91-T94 PolarHBondContact OD1-N 3.47Å; D91-T94 PolarHBondContact OD1-OG1 2.98Å; T94-R96 PolarHBondContact O-N 2.92Å; T94-R96 VanDerWaalsContact O-N 3.15Å; T94-R96 WeakPolarHBondContact OG1-CB 3.47Å; T94-R96 WeakPolarHBondContact OG1-CG 3.44Å; T94-R96 PolarHBondContact OG1-N 2.87Å; T94-I145 WeakPolarHBondContact O-CG2 3.44Å
95	V	87.6	Confident	93.1	Very high	72 Å²	72	65.5 Å²	65.5	44%	0.436	35%	0.347	S	S	.	.			trans	62.7	14.9	-176.5	-159.8	0	0	0	0	112.6	R90 D91	R90-V95 WeakPolarHBondContact CD-O 3.38Å; R90-V95 PolarHBondContact NH1-O 2.92Å; D91-V95 WeakPolarHBondContact O-CA 3.48Å; D91-V95 PolarHBondContact O-N 2.84Å
96	R	89.3	Confident	93.1	Very high	94 Å²	94	67.6 Å²	67.6	36%	0.355	36%	0.364	S	S	.	.			trans	-75.9	155	179	-65.4	175.3	-174.8	-160.4	-10.1	111.6	R90 D91 T94 I145 R148	R90-R96 VanDerWaalsContact CA-O 3.32Å; R90-R96 WeakPolarHBondContact CA-O 3.25Å; R90-R96 WeakPolarHBondContact CB-O 3.28Å; D91-R96 PolarHBondContact N-O 2.99Å; T94-R96 PolarHBondContact O-N 2.92Å; T94-R96 VanDerWaalsContact O-N 3.15Å; T94-R96 WeakPolarHBondContact OG1-CB 3.47Å; T94-R96 WeakPolarHBondContact OG1-CG 3.44Å; T94-R96 PolarHBondContact OG1-N 2.87Å; R96-I145 HydrophobicContact CG-CG2 3.79Å; R96-R148 WeakPolarHBondContact CD-OXT 3.07Å; R96-R148 PolarHBondContact NE-OXT 2.8Å; R96-R148 PolarHBondContact NH1-O 3.46Å; R96-R148 PolarHBondContact NH1-OXT 3.35Å; R96-R148 PolarHBondContact NH2-O 2.98Å; R96-R148 PolarHBondContact NH2-OXT 2.74Å
97	L	90.5	Very high	93.1	Very high	21 Å²	21	68.4 Å²	68.4	11%	0.11	37%	0.373	C	S	.	.			trans	-65.4	136.6	167.6	-67.8	175.8	0	0	0	108.9	W85 L86 I126 L137 C146	W85-L97 HydrophobicContact CH2-CB 4.23Å; L86-L97 HydrophobicContact CD2-CB 3.75Å; L86-L97 HydrophobicContact CD2-CD1 4.15Å; L86-L97 HydrophobicContact CD2-CD2 3.86Å; L86-L97 HydrophobicContact CD2-CG 4.12Å; L97-I126 HydrophobicContact CD1-CG2 3.82Å; L97-L137 HydrophobicContact CD2-CB 4.07Å; L97-C146 HydrophobicContact CD1-CB 4.13Å; L97-C146 VanDerWaalsContact CD1-SG 3.52Å
98	M	92.5	Very high	93.2	Very high	63 Å²	63	68.5 Å²	68.5	31%	0.31	37%	0.371	S	S	.	.			trans	-117.2	144.1	176.2	-65.1	176	69.6	0	0	109	L86 S87 D91	L86-M98 CarbonylContact C-O 3.44Å; L86-M98 WeakPolarHBondContact CA-O 3.38Å; S87-M98 WeakPolarHBondContact CB-O 3.08Å; S87-M98 PolarHBondContact N-O 2.78Å; D91-M98 WeakPolarHBondContact CA-SD 3.13Å; D91-M98 HydrophobicContact CB-CG 3.81Å; D91-M98 HydrophobicContact CB-SD 3.57Å; D91-M98 VanDerWaalsContact CB-SD 3.57Å; D91-M98 PolarHBondContact N-SD 3.22Å; D91-M98 VanDerWaalsContact N-SD 3.43Å
99	P	95.5	Very high	93.4	Very high	25 Å²	25	69.3 Å²	69.3	16%	0.162	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-69.6	159.8	164.8	34.3	-36.2	0	0	0	110.2	W85 P101 F104 M108	W85-P99 HydrophobicContact CE3-CB 3.78Å; W85-P99 HydrophobicContact CZ3-CB 3.96Å; W85-P99 WeakPolarHBondContact O-CA 3.41Å; P99-P101 WeakPolarHBondContact O-CD 3.38Å; P99-F104 HydrophobicContact CB-CB 3.91Å; P99-F104 HydrophobicContact CB-CD2 4.25Å; P99-F104 HydrophobicContact CB-CG 4.3Å; P99-F104 HydrophobicContact CG-CB 4.42Å; P99-M108 HydrophobicContact CB-CE 3.45Å; P99-M108 VanDerWaalsContact CB-CE 3.45Å; P99-M108 HydrophobicContact CB-CG 4.02Å; P99-M108 HydrophobicContact CB-SD 4.41Å; P99-M108 HydrophobicContact CG-CE 4.15Å; P99-M108 HydrophobicContact CG-CG 4.16Å
100	D	96.8	Very high	93.7	Very high	32 Å²	32	65.9 Å²	65.9	17%	0.171	36%	0.364	C	S	.	.			trans	-61.2	119.5	171.7	-176.6	-54.9	0	0	0	110.5	W85 S102 R103 F104	W85-D100 PolarHBondContact O-N 3.29Å; D100-S102 PolarHBondContact O-N 2.89Å; D100-S102 WeakPolarHBondContact OD1-CA 3.38Å; D100-S102 WeakPolarHBondContact OD1-CB 3.33Å; D100-S102 PolarHBondContact OD1-N 3.11Å; D100-S102 PolarHBondContact OD1-OG 3.22Å; D100-R103 HydrophobicContact CB-CB 4.28Å; D100-R103 PolarHBondContact O-N 3.47Å; D100-R103 PolarHBondContact OD1-N 3.5Å; D100-R103 VanDerWaalsContact OD1-N 3.17Å; D100-R103 IonicContact OD1-NE 3.1Å; D100-R103 IonicContact OD2-CZ 3.59Å; D100-R103 IonicContact OD2-NE 3.5Å; D100-R103 PolarHBondContact OD2-NE 2.83Å; D100-R103 IonicContact OD2-NH2 3.25Å; D100-R103 PolarHBondContact OD2-NH2 2.73Å; D100-R103 VanDerWaalsContact OD2-NH2 3.1Å; D100-F104 HydrophobicContact CB-CD2 4.47Å; D100-F104 PolarHBondContact O-N 3.4Å
101	P	95.6	Very high	94.1	Very high	88 Å²	88	63.5 Å²	63.5	57%	0.571	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.5	-172.6	28.2	-35.3	0	0	0	113.3	P99 P105	P99-P101 WeakPolarHBondContact O-CD 3.38Å; P101-P105 WeakPolarHBondContact O-CA 3.33Å
102	S	96.4	Very high	94.5	Very high	97 Å²	97	62.1 Å²	62.1	68%	0.678	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-33.9	177.8	72.8	0	0	0	0	111.9	D100	D100-S102 PolarHBondContact O-N 2.89Å; D100-S102 WeakPolarHBondContact OD1-CA 3.38Å; D100-S102 WeakPolarHBondContact OD1-CB 3.33Å; D100-S102 PolarHBondContact OD1-N 3.11Å; D100-S102 PolarHBondContact OD1-OG 3.22Å
103	R	97.3	Very high	94.9	Very high	7 Å²	7	60.7 Å²	60.7	3%	0.026	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-26.2	-176.6	-63.5	-179	-66.9	120.1	-7.1	113.4	L54 N55 E56 C84 D100 P105	L54-R103 WeakPolarHBondContact O-CD 3.35Å; L54-R103 PolarHBondContact O-NH1 3.04Å; N55-R103 CarbonylContact C-O 3.48Å; N55-R103 WeakPolarHBondContact CA-O 3.45Å; N55-R103 HydrophobicContact CB-CB 4.09Å; N55-R103 WeakPolarHBondContact CB-O 3.46Å; E56-R103 PolarHBondContact N-O 2.92Å; C84-R103 PolarHBondContact O-NH1 3.13Å; C84-R103 PolarHBondContact O-NH2 2.92Å; D100-R103 HydrophobicContact CB-CB 4.28Å; D100-R103 PolarHBondContact O-N 3.47Å; D100-R103 PolarHBondContact OD1-N 3.5Å; D100-R103 VanDerWaalsContact OD1-N 3.17Å; D100-R103 IonicContact OD1-NE 3.1Å; D100-R103 IonicContact OD2-CZ 3.59Å; D100-R103 IonicContact OD2-NE 3.5Å; D100-R103 PolarHBondContact OD2-NE 2.83Å; D100-R103 IonicContact OD2-NH2 3.25Å; D100-R103 PolarHBondContact OD2-NH2 2.73Å; D100-R103 VanDerWaalsContact OD2-NH2 3.1Å; R103-P105 VanDerWaalsContact C-CD 3.4Å
104	F	97.6	Very high	95.2	Very high	3 Å²	3	54.1 Å²	54.1	1%	0.013	31%	0.306	C	S	.	.			trans	-130.1	59.5	178.5	-57.8	-85.1	0	0	0	111.2	L54 E56 I59 I81 W85 P99 D100 S106 G107 M108 L111	L54-F104 HydrophobicContact CG-CZ 4.08Å; E56-F104 HydrophobicContact CB-CD1 3.85Å; I59-F104 HydrophobicContact CG1-CE1 4.41Å; I81-F104 HydrophobicContact CD1-CE1 4.22Å; W85-F104 HydrophobicContact CB-CE2 3.93Å; W85-F104 HydrophobicContact CB-CZ 4.12Å; P99-F104 HydrophobicContact CB-CB 3.91Å; P99-F104 HydrophobicContact CB-CD2 4.25Å; P99-F104 HydrophobicContact CB-CG 4.3Å; P99-F104 HydrophobicContact CG-CB 4.42Å; D100-F104 HydrophobicContact CB-CD2 4.47Å; D100-F104 PolarHBondContact O-N 3.4Å; F104-S106 PolarHBondContact O-N 3.32Å; F104-S106 VanDerWaalsContact O-N 3.13Å; F104-G107 PolarHBondContact O-N 3.31Å; F104-M108 HydrophobicContact CB-CE 3.53Å; F104-M108 HydrophobicContact CD1-CE 3.22Å; F104-M108 HydrophobicContact CD2-CE 3.93Å; F104-M108 HydrophobicContact CE1-CE 3.8Å; F104-M108 HydrophobicContact CE2-CE 4.43Å; F104-M108 HydrophobicContact CG-CE 3.27Å; F104-M108 HydrophobicContact CZ-CE 4.36Å; F104-L111 HydrophobicContact CD1-CD2 4.13Å; F104-L111 HydrophobicContact CE1-CD2 4.12Å
105	P	97.1	Very high	95.7	Very high	91 Å²	91	51.2 Å²	51.2	59%	0.591	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.2	-175.5	24.7	-36.3	0	0	0	113.7	E56 P101 R103 G107	E56-P105 HydrophobicContact CG-CG 4.5Å; E56-P105 VanDerWaalsContact OE2-CD 3.25Å; E56-P105 WeakPolarHBondContact OE2-CD 3.01Å; E56-P105 WeakPolarHBondContact OE2-CG 3.05Å; P101-P105 WeakPolarHBondContact O-CA 3.33Å; R103-P105 VanDerWaalsContact C-CD 3.4Å; P105-G107 VanDerWaalsContact C-N 3.29Å; P105-G107 PolarHBondContact O-N 2.88Å
106	S	97.1	Very high	96.2	Very high	56 Å²	56	52.7 Å²	52.7	39%	0.392	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.9	177.7	-47.3	0	0	0	0	113.5	E56 F104 C110	E56-S106 PolarHBondContact OE1-OG 3.49Å; E56-S106 VanDerWaalsContact OE1-OG 3.04Å; E56-S106 WeakPolarHBondContact OE2-CB 3.28Å; E56-S106 PolarHBondContact OE2-N 2.95Å; E56-S106 PolarHBondContact OE2-OG 3.42Å; F104-S106 PolarHBondContact O-N 3.32Å; F104-S106 VanDerWaalsContact O-N 3.13Å; S106-C110 WeakPolarHBondContact O-CB 3.4Å
107	G	95.6	Very high	96.6	Very high	20 Å²	20	52.8 Å²	52.8	21%	0.206	31%	0.305	C	S	.	.	H	α-helix	trans	74.6	162.1	-174.4	0	0	0	0	0	114.8	F104 P105 K109 C110 L111	F104-G107 PolarHBondContact O-N 3.31Å; P105-G107 VanDerWaalsContact C-N 3.29Å; P105-G107 PolarHBondContact O-N 2.88Å; G107-K109 VanDerWaalsContact C-N 3.3Å; G107-K109 PolarHBondContact O-N 2.93Å; G107-C110 PolarHBondContact O-N 3.1Å; G107-L111 PolarHBondContact O-N 3.43Å
108	M	95.4	Very high	97	Very high	24 Å²	24	53.9 Å²	53.9	12%	0.118	31%	0.309	C	S	.	.	H	α-helix	trans	-61.9	-33.7	-176.1	-68.2	-59.5	106.1	0	0	113.5	I81 W85 P99 F104 C110 L111 A112 F122 I124	I81-M108 HydrophobicContact CD1-SD 4.32Å; W85-M108 HydrophobicContact CE3-CE 4.42Å; W85-M108 HydrophobicContact CE3-CG 4.06Å; W85-M108 HydrophobicContact CE3-SD 4.06Å; W85-M108 HydrophobicContact CZ3-CG 3.82Å; W85-M108 HydrophobicContact CZ3-SD 4.41Å; P99-M108 HydrophobicContact CB-CE 3.45Å; P99-M108 VanDerWaalsContact CB-CE 3.45Å; P99-M108 HydrophobicContact CB-CG 4.02Å; P99-M108 HydrophobicContact CB-SD 4.41Å; P99-M108 HydrophobicContact CG-CE 4.15Å; P99-M108 HydrophobicContact CG-CG 4.16Å; F104-M108 HydrophobicContact CB-CE 3.53Å; F104-M108 HydrophobicContact CD1-CE 3.22Å; F104-M108 HydrophobicContact CD2-CE 3.93Å; F104-M108 HydrophobicContact CE1-CE 3.8Å; F104-M108 HydrophobicContact CE2-CE 4.43Å; F104-M108 HydrophobicContact CG-CE 3.27Å; F104-M108 HydrophobicContact CZ-CE 4.36Å; M108-C110 PolarHBondContact O-N 3.25Å; M108-L111 HydrophobicContact CE-CD2 4.37Å; M108-L111 PolarHBondContact O-N 3.26Å; M108-A112 WeakPolarHBondContact O-CB 3.21Å; M108-A112 PolarHBondContact O-N 2.77Å; M108-F122 HydrophobicContact SD-CZ 4.01Å; M108-I124 HydrophobicContact CG-CD1 4.17Å; M108-I124 HydrophobicContact SD-CD1 4.05Å
109	K	95.5	Very high	97.3	Very high	165 Å²	165	56.2 Å²	56.2	72%	0.717	32%	0.323	S	S	*	.	H	α-helix	trans	-62.6	-42.5	178	-177.1	177.3	179.9	179.3	0	112	G107 L111 A112 N113	G107-K109 VanDerWaalsContact C-N 3.3Å; G107-K109 PolarHBondContact O-N 2.93Å; K109-L111 VanDerWaalsContact C-N 3.35Å; K109-A112 PolarHBondContact O-N 3.03Å; K109-N113 WeakPolarHBondContact O-CB 3.34Å; K109-N113 VanDerWaalsContact O-CG 3.24Å; K109-N113 PolarHBondContact O-N 3.38Å
110	C	97.5	Very high	97.4	Very high	55 Å²	55	55.1 Å²	55.1	37%	0.372	32%	0.316	S	S	.	.	H	α-helix	trans	-65.6	-42.2	177.7	-174.5	0	0	0	0	110.7	S106 G107 M108 N113 Y114	S106-C110 WeakPolarHBondContact O-CB 3.4Å; G107-C110 PolarHBondContact O-N 3.1Å; M108-C110 PolarHBondContact O-N 3.25Å; C110-N113 PolarHBondContact O-N 2.91Å; C110-Y114 PolarHBondContact O-N 3.4Å
111	L	98	Very high	97.5	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-63.2	-44.2	176.6	-172.9	55.3	0	0	0	112.1	I59 K60 I81 F104 G107 M108 K109 N113 Y114 L115	I59-L111 HydrophobicContact CB-CD1 4.19Å; I59-L111 HydrophobicContact CB-CD2 4.2Å; I59-L111 HydrophobicContact CG1-CD2 4.39Å; I59-L111 HydrophobicContact CG2-CD1 3.96Å; I59-L111 HydrophobicContact CG2-CD2 4.06Å; I59-L111 HydrophobicContact CG2-CG 4.3Å; K60-L111 HydrophobicContact CG-CD1 3.9Å; I81-L111 HydrophobicContact CD1-CD2 3.5Å; F104-L111 HydrophobicContact CD1-CD2 4.13Å; F104-L111 HydrophobicContact CE1-CD2 4.12Å; G107-L111 PolarHBondContact O-N 3.43Å; M108-L111 HydrophobicContact CE-CD2 4.37Å; M108-L111 PolarHBondContact O-N 3.26Å; K109-L111 VanDerWaalsContact C-N 3.35Å; L111-N113 PolarHBondContact O-N 3.35Å; L111-Y114 WeakPolarHBondContact O-CB 3.06Å; L111-Y114 PolarHBondContact O-N 3.36Å; L111-L115 WeakPolarHBondContact O-CG 3.41Å; L111-L115 PolarHBondContact O-N 3.22Å
112	A	98	Very high	97.6	Very high	13 Å²	13	55.2 Å²	55.2	11%	0.107	31%	0.309	C	S	.	.	H	α-helix	trans	-59.9	-44.7	174.7	0	0	0	0	0	111.8	M108 K109 Y114 L115 H116 F122	M108-A112 WeakPolarHBondContact O-CB 3.21Å; M108-A112 PolarHBondContact O-N 2.77Å; K109-A112 PolarHBondContact O-N 3.03Å; A112-Y114 VanDerWaalsContact C-N 3.29Å; A112-Y114 PolarHBondContact O-N 3.36Å; A112-L115 PolarHBondContact O-N 3.33Å; A112-H116 PolarHBondContact O-N 3.02Å; A112-H116 PolarHBondContact O-ND1 2.98Å; A112-F122 HydrophobicContact CB-CB 4.25Å; A112-F122 HydrophobicContact CB-CD1 3.73Å; A112-F122 HydrophobicContact CB-CE1 4.33Å; A112-F122 HydrophobicContact CB-CG 4.1Å
113	N	98.5	Very high	97.7	Very high	91 Å²	91	51.4 Å²	51.4	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-60.5	-38.7	175.7	-73	-12.4	0	0	0	112.4	K109 C110 L111 H116 S117	K109-N113 WeakPolarHBondContact O-CB 3.34Å; K109-N113 VanDerWaalsContact O-CG 3.24Å; K109-N113 PolarHBondContact O-N 3.38Å; C110-N113 PolarHBondContact O-N 2.91Å; L111-N113 PolarHBondContact O-N 3.35Å; N113-H116 PolarHBondContact O-N 2.82Å; N113-S117 PolarHBondContact O-N 2.9Å
114	Y	98.7	Very high	97.5	Very high	57 Å²	57	52.9 Å²	52.9	22%	0.224	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-39	175.7	178.7	-86.6	0	0	0	112.4	K60 A63 D64 C110 L111 A112 S117 K118	K60-Y114 HydrophobicContact CB-CD1 4.26Å; K60-Y114 HydrophobicContact CB-CE1 3.62Å; K60-Y114 HydrophobicContact CD-CE2 4.49Å; K60-Y114 HydrophobicContact CG-CD1 3.7Å; K60-Y114 HydrophobicContact CG-CD2 4.45Å; K60-Y114 HydrophobicContact CG-CE1 3.57Å; K60-Y114 HydrophobicContact CG-CE2 4.33Å; K60-Y114 HydrophobicContact CG-CG 4.13Å; A63-Y114 HydrophobicContact CB-CE1 4.25Å; D64-Y114 VanDerWaalsContact CG-OH 3.27Å; D64-Y114 PolarHBondContact OD1-OH 2.82Å; D64-Y114 PolarHBondContact OD2-OH 3.33Å; C110-Y114 PolarHBondContact O-N 3.4Å; L111-Y114 WeakPolarHBondContact O-CB 3.06Å; L111-Y114 PolarHBondContact O-N 3.36Å; A112-Y114 VanDerWaalsContact C-N 3.29Å; A112-Y114 PolarHBondContact O-N 3.36Å; Y114-S117 PolarHBondContact O-OG 3.33Å; Y114-K118 HydrophobicContact CD1-CD 4.46Å; Y114-K118 HydrophobicContact CE1-CD 3.89Å; Y114-K118 WeakPolarHBondContact OH-CE 3.22Å; Y114-K118 PolarHBondContact OH-NZ 3.28Å
115	L	98.7	Very high	97.3	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67	-43.8	174.4	-65.6	173.7	0	0	0	111.3	A63 V79 L111 A112 S117 K118 N119 L120 F122	A63-L115 HydrophobicContact CB-CD2 3.41Å; A63-L115 VanDerWaalsContact CB-CD2 3.41Å; V79-L115 HydrophobicContact CB-CD1 4.03Å; V79-L115 HydrophobicContact CB-CD2 4.08Å; V79-L115 HydrophobicContact CG1-CD1 4.16Å; V79-L115 HydrophobicContact CG1-CD2 4.12Å; V79-L115 HydrophobicContact CG2-CD2 4.02Å; L111-L115 WeakPolarHBondContact O-CG 3.41Å; L111-L115 PolarHBondContact O-N 3.22Å; A112-L115 PolarHBondContact O-N 3.33Å; L115-S117 VanDerWaalsContact C-N 3.32Å; L115-S117 PolarHBondContact O-N 3.17Å; L115-K118 WeakPolarHBondContact O-CB 3.37Å; L115-K118 PolarHBondContact O-N 3.28Å; L115-N119 PolarHBondContact O-N 2.87Å; L115-L120 HydrophobicContact CB-CB 4.33Å; L115-L120 HydrophobicContact CD2-CD1 4.26Å; L115-L120 WeakPolarHBondContact O-CB 3.05Å; L115-L120 PolarHBondContact O-N 3.39Å; L115-F122 HydrophobicContact CD1-CB 3.9Å; L115-F122 HydrophobicContact CD1-CD2 3.42Å; L115-F122 VanDerWaalsContact CD1-CD2 3.42Å; L115-F122 HydrophobicContact CD1-CE2 4.3Å; L115-F122 HydrophobicContact CD1-CG 4Å
116	H	98.6	Very high	97	Very high	103 Å²	103	52.6 Å²	52.6	48%	0.477	29%	0.288	S	S	.	.	H	α-helix	trans	-62.4	-37.6	177.3	-64.9	164.3	0	0	0	112.3	A112 N113 K118 N119 L120	A112-H116 PolarHBondContact O-N 3.02Å; A112-H116 PolarHBondContact O-ND1 2.98Å; N113-H116 PolarHBondContact O-N 2.82Å; H116-K118 PolarHBondContact O-N 2.89Å; H116-K118 VanDerWaalsContact O-N 3.13Å; H116-N119 PolarHBondContact O-N 2.67Å; H116-L120 PolarHBondContact CD2-O 2.88Å
117	S	98.6	Very high	96.7	Very high	96 Å²	96	50.6 Å²	50.6	67%	0.671	28%	0.276	S	S	*	.	H	α-helix	trans	-64.7	-16.3	176	76.3	0	0	0	0	113.4	N113 Y114 L115	N113-S117 PolarHBondContact O-N 2.9Å; Y114-S117 PolarHBondContact O-OG 3.33Å; L115-S117 VanDerWaalsContact C-N 3.32Å; L115-S117 PolarHBondContact O-N 3.17Å
118	K	98.4	Very high	96.4	Very high	44 Å²	44	58.4 Å²	58.4	19%	0.191	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	4.2	174.5	-69.8	-175.5	-170.7	-68.5	0	114	A63 D64 V67 R72 Y114 L115 H116 L120	A63-K118 HydrophobicContact CB-CD 4.16Å; D64-K118 WeakPolarHBondContact OD1-CE 2.98Å; D64-K118 IonicContact OD1-NZ 2.58Å; D64-K118 PolarHBondContact OD1-NZ 3.17Å; V67-K118 HydrophobicContact CG2-CB 3.98Å; V67-K118 HydrophobicContact CG2-CD 4.34Å; V67-K118 HydrophobicContact CG2-CG 4.47Å; R72-K118 VanDerWaalsContact CD-O 3.27Å; R72-K118 WeakPolarHBondContact CD-O 3.26Å; R72-K118 PolarHBondContact NH1-O 2.86Å; Y114-K118 HydrophobicContact CD1-CD 4.46Å; Y114-K118 HydrophobicContact CE1-CD 3.89Å; Y114-K118 WeakPolarHBondContact OH-CE 3.22Å; Y114-K118 PolarHBondContact OH-NZ 3.28Å; L115-K118 WeakPolarHBondContact O-CB 3.37Å; L115-K118 PolarHBondContact O-N 3.28Å; H116-K118 PolarHBondContact O-N 2.89Å; H116-K118 VanDerWaalsContact O-N 3.13Å; K118-L120 HydrophobicContact CB-CD1 4.06Å; K118-L120 HydrophobicContact CB-CG 4.21Å; K118-L120 PolarHBondContact O-N 3.29Å
119	N	98.2	Very high	96.2	Very high	111 Å²	111	58.5 Å²	58.5	59%	0.594	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	34.8	-172.6	-159.5	39.2	0	0	0	112.6	L115 H116	L115-N119 PolarHBondContact O-N 2.87Å; H116-N119 PolarHBondContact O-N 2.67Å
120	L	98.7	Very high	95.9	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	31%	0.309	C	S	.	.			trans	-103.7	162.1	169.3	-63.7	168.1	0	0	0	109.5	A63 L66 V67 R72 K77 V79 L115 H116 K118	A63-L120 HydrophobicContact CB-CD1 3.68Å; L66-L120 HydrophobicContact CB-CD1 4.48Å; L66-L120 HydrophobicContact CB-CD2 4.39Å; L66-L120 HydrophobicContact CD1-CD1 4.5Å; L66-L120 HydrophobicContact CD1-CD2 4.46Å; V67-L120 HydrophobicContact CG2-CD1 4.27Å; R72-L120 HydrophobicContact CB-CD2 4.09Å; R72-L120 HydrophobicContact CG-CD2 3.87Å; K77-L120 CarbonylContact O-C 3.54Å; K77-L120 WeakPolarHBondContact O-CA 3.42Å; V79-L120 HydrophobicContact CG2-CB 4.41Å; V79-L120 HydrophobicContact CG2-CD1 4.05Å; L115-L120 HydrophobicContact CB-CB 4.33Å; L115-L120 HydrophobicContact CD2-CD1 4.26Å; L115-L120 WeakPolarHBondContact O-CB 3.05Å; L115-L120 PolarHBondContact O-N 3.39Å; H116-L120 PolarHBondContact CD2-O 2.88Å; K118-L120 HydrophobicContact CB-CD1 4.06Å; K118-L120 HydrophobicContact CB-CG 4.21Å; K118-L120 PolarHBondContact O-N 3.29Å
121	L	98.3	Very high	95.5	Very high	69 Å²	69	54.4 Å²	54.4	36%	0.361	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	139.4	179.6	-61	172.4	0	0	0	109.6	K77 Y78 V79	K77-L121 HydrophobicContact CB-CD1 4.26Å; K77-L121 HydrophobicContact CB-CG 4.41Å; K77-L121 PolarHBondContact O-N 3.03Å; Y78-L121 CarbonylContact C-O 3.54Å; Y78-L121 WeakPolarHBondContact CA-O 3.29Å; Y78-L121 HydrophobicContact CD1-CB 3.7Å; Y78-L121 HydrophobicContact CD1-CD1 4.16Å; Y78-L121 HydrophobicContact CD2-CD1 4.21Å; Y78-L121 HydrophobicContact CE1-CB 3.86Å; Y78-L121 HydrophobicContact CE1-CD1 3.67Å; Y78-L121 HydrophobicContact CE1-CG 4.41Å; Y78-L121 HydrophobicContact CE2-CD1 3.72Å; Y78-L121 HydrophobicContact CG-CB 4.19Å; Y78-L121 HydrophobicContact CG-CD1 4.42Å; Y78-L121 VanDerWaalsContact CZ-CD1 3.43Å; V79-L121 PolarHBondContact N-O 3.07Å
122	F	98	Very high	95.3	Very high	53 Å²	53	55.1 Å²	55.1	23%	0.232	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130	-179.3	-179.1	-127	0	0	0	111.9	I81 M108 A112 L115 I124	I81-F122 HydrophobicContact CD1-CE2 3.66Å; I81-F122 HydrophobicContact CD1-CZ 4.19Å; I81-F122 HydrophobicContact CG1-CE2 3.95Å; M108-F122 HydrophobicContact SD-CZ 4.01Å; A112-F122 HydrophobicContact CB-CB 4.25Å; A112-F122 HydrophobicContact CB-CD1 3.73Å; A112-F122 HydrophobicContact CB-CE1 4.33Å; A112-F122 HydrophobicContact CB-CG 4.1Å; L115-F122 HydrophobicContact CD1-CB 3.9Å; L115-F122 HydrophobicContact CD1-CD2 3.42Å; L115-F122 VanDerWaalsContact CD1-CD2 3.42Å; L115-F122 HydrophobicContact CD1-CE2 4.3Å; L115-F122 HydrophobicContact CD1-CG 4Å; F122-I124 HydrophobicContact CE1-CB 4.31Å; F122-I124 HydrophobicContact CE1-CD1 4.36Å; F122-I124 HydrophobicContact CZ-CB 4.08Å; F122-I124 HydrophobicContact CZ-CD1 4.01Å; F122-I124 HydrophobicContact CZ-CG1 4.34Å
123	G	97.1	Very high	95.1	Very high	17 Å²	17	61 Å²	61	18%	0.175	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152	169.8	0	0	0	0	0	111.3	V79 I80 I81	V79-G123 PolarHBondContact O-N 2.95Å; I80-G123 WeakPolarHBondContact CA-O 3.4Å; I81-G123 PolarHBondContact N-O 3.25Å
124	I	94.9	Very high	94.8	Very high	38 Å²	38	58.4 Å²	58.4	20%	0.195	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	137.4	-178.4	-162.3	170.3	0	0	0	110.4	I81 W85 M108 F122 W147	I81-I124 WeakPolarHBondContact O-CA 2.97Å; W85-I124 HydrophobicContact CD2-CD1 3.76Å; W85-I124 HydrophobicContact CD2-CG1 4.17Å; W85-I124 HydrophobicContact CE3-CD1 4Å; W85-I124 HydrophobicContact CG-CD1 4.49Å; W85-I124 HydrophobicContact CH2-CD1 3.56Å; W85-I124 HydrophobicContact CZ2-CD1 3.28Å; W85-I124 HydrophobicContact CZ2-CG1 3.8Å; W85-I124 HydrophobicContact CZ3-CD1 3.92Å; M108-I124 HydrophobicContact CG-CD1 4.17Å; M108-I124 HydrophobicContact SD-CD1 4.05Å; F122-I124 HydrophobicContact CE1-CB 4.31Å; F122-I124 HydrophobicContact CE1-CD1 4.36Å; F122-I124 HydrophobicContact CZ-CB 4.08Å; F122-I124 HydrophobicContact CZ-CD1 4.01Å; F122-I124 HydrophobicContact CZ-CG1 4.34Å; I124-W147 HydrophobicContact CG2-CH2 3.5Å; I124-W147 HydrophobicContact CG2-CZ3 3.52Å
125	T	93	Very high	94.6	Very high	48 Å²	48	58 Å²	58	29%	0.294	35%	0.351	S	S	.	.			trans	-95.5	140.3	179.2	-59.7	0	0	0	0	110.9	I81 D82 W85	I81-T125 PolarHBondContact O-N 2.88Å; D82-T125 PolarHBondContact OD2-OG1 2.73Å; W85-T125 PolarHBondContact NE1-O 3.22Å
126	I	90.8	Very high	94.3	Very high	40 Å²	40	58.6 Å²	58.6	21%	0.205	35%	0.353	C	S	.	.			trans	-136.6	151.8	168.7	58.8	169.8	0	0	0	109.5	W85 L97 I143 W147	W85-I126 HydrophobicContact CZ2-CG2 4.05Å; L97-I126 HydrophobicContact CD1-CG2 3.82Å; I126-I143 HydrophobicContact CD1-CD1 4.41Å; I126-W147 HydrophobicContact CD1-CH2 4.35Å; I126-W147 HydrophobicContact CD1-CZ2 3.48Å; I126-W147 VanDerWaalsContact CD1-CZ2 3.48Å; I126-W147 HydrophobicContact CG1-CZ2 4.12Å
127	G	90.5	Very high	94	Very high	15 Å²	15	56 Å²	56	16%	0.155	34%	0.343	C	S	.	.			trans	-83.6	134.7	172.2	0	0	0	0	0	111.4	G129 G138 S139	G127-G129 VanDerWaalsContact C-N 3.28Å; G127-G138 CarbonylContact O-C 3.42Å; G127-G138 WeakPolarHBondContact O-CA 3.26Å; G127-S139 WeakPolarHBondContact O-CB 3.41Å; G127-S139 PolarHBondContact O-N 3.5Å; G127-S139 PolarHBondContact O-OG 2.01Å
128	Y	89.3	Confident	93.6	Very high	183 Å²	183	51.6 Å²	51.6	72%	0.718	31%	0.313	S	S	*	.	S	Bend	trans	-72	-23.7	173	-176.4	-104	0	0	0	112.7	S139 M140	Y128-S139 WeakPolarHBondContact CA-OG 3.41Å; Y128-M140 PolarHBondContact O-N 2.6Å
129	G	90.6	Very high	93.2	Very high	26 Å²	26	49.6 Å²	49.6	27%	0.268	30%	0.304	S	S	.	.	S	Bend	trans	-71.2	-167.2	-179.5	0	0	0	0	0	114.4	G127 G131 G138 S139 M140	G127-G129 VanDerWaalsContact C-N 3.28Å; G129-G131 PolarHBondContact O-N 3.26Å; G129-G138 CarbonylContact O-C 3.57Å; G129-G138 VanDerWaalsContact O-CA 3.25Å; G129-G138 WeakPolarHBondContact O-CA 3.46Å; G129-S139 PolarHBondContact O-N 3.01Å; G129-M140 VanDerWaalsContact O-CB 3.29Å; G129-M140 WeakPolarHBondContact O-CB 3.48Å; G129-M140 PolarHBondContact O-N 3.01Å; G129-M140 VanDerWaalsContact O-N 3.11Å
130	S	88.8	Confident	92.6	Very high	106 Å²	106	48.9 Å²	48.9	74%	0.741	30%	0.298	S	S	*	.	S	Bend	trans	-66.5	-26.5	168	53.6	0	0	0	0	112.3	G138	S130-G138 PolarHBondContact O-N 3.34Å
131	G	90.8	Very high	91.9	Very high	28 Å²	28	56.7 Å²	56.7	29%	0.289	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-139.1	168.1	176.9	0	0	0	0	0	113	G129 Y136	G129-G131 PolarHBondContact O-N 3.26Å; G131-Y136 CarbonylContact C-O 3.56Å; G131-Y136 WeakPolarHBondContact CA-O 3.38Å
132	T	93.1	Very high	91.2	Very high	18 Å²	18	53.8 Å²	53.8	11%	0.11	33%	0.326	C	S	.	.			trans	-81.7	170.6	164.5	73.5	0	0	0	0	110.6	D83 L86 S134 G135 Y136	D83-T132 VanDerWaalsContact CG-CB 3.44Å; D83-T132 WeakPolarHBondContact OD1-CB 3.45Å; D83-T132 PolarHBondContact OD1-OG1 2.72Å; D83-T132 WeakPolarHBondContact OD2-CB 3.33Å; D83-T132 PolarHBondContact OD2-OG1 2.75Å; L86-T132 HydrophobicContact CD1-CG2 4.05Å; T132-S134 PolarHBondContact O-N 3.1Å; T132-G135 PolarHBondContact O-N 2.94Å; T132-Y136 PolarHBondContact N-O 3.03Å; T132-Y136 WeakPolarHBondContact OG1-CB 3.05Å; T132-Y136 PolarHBondContact OG1-N 2.98Å
133	C	93.1	Very high	90.4	Very high	135 Å²	135	54.7 Å²	54.7	91%	0.912	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-34	179.2	-62.1	0	0	0	0	112	D83 G135	D83-C133 PolarHBondContact OD2-N 3.4Å; C133-G135 VanDerWaalsContact C-N 3.3Å; C133-G135 PolarHBondContact O-N 2.74Å
134	S	93.6	Very high	89.7	Confident	38 Å²	38	60.1 Å²	60.1	27%	0.266	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	11.4	176.9	-57.2	0	0	0	0	114	D83 C84 T132	D83-S134 WeakPolarHBondContact OD2-CB 3.18Å; D83-S134 PolarHBondContact OD2-N 3.21Å; D83-S134 PolarHBondContact OD2-OG 2.92Å; C84-S134 WeakPolarHBondContact SG-CB 3.24Å; C84-S134 PolarHBondContact SG-OG 3.03Å; T132-S134 PolarHBondContact O-N 3.1Å
135	G	92.7	Very high	88.9	Confident	49 Å²	49	61.3 Å²	61.3	51%	0.505	36%	0.363	S	S	.	.	S	Bend	trans	76.1	24.7	175.3	0	0	0	0	0	114.8	R88 T132 C133	R88-G135 PolarHBondContact NH1-O 3.35Å; T132-G135 PolarHBondContact O-N 2.94Å; C133-G135 VanDerWaalsContact C-N 3.3Å; C133-G135 PolarHBondContact O-N 2.74Å
136	Y	93.6	Very high	87.8	Confident	11 Å²	11	59.8 Å²	59.8	4%	0.043	36%	0.355	C	S	.	.			trans	-85.6	174.1	165.4	-69.7	-96.4	0	0	0	110.5	C84 L86 G131 T132 G138	C84-Y136 VanDerWaalsContact CA-CE2 3.48Å; C84-Y136 HydrophobicContact CB-CD2 4.23Å; C84-Y136 HydrophobicContact CB-CE2 3.58Å; C84-Y136 VanDerWaalsContact SG-CE2 3.55Å; L86-Y136 HydrophobicContact CB-CD1 3.75Å; L86-Y136 HydrophobicContact CB-CG 4.17Å; L86-Y136 WeakPolarHBondContact O-CD1 3.41Å; L86-Y136 WeakPolarHBondContact O-CE1 3.23Å; G131-Y136 CarbonylContact C-O 3.56Å; G131-Y136 WeakPolarHBondContact CA-O 3.38Å; T132-Y136 PolarHBondContact N-O 3.03Å; T132-Y136 WeakPolarHBondContact OG1-CB 3.05Å; T132-Y136 PolarHBondContact OG1-N 2.98Å; Y136-G138 PolarHBondContact O-N 3.04Å
137	L	91.5	Very high	86.6	Confident	49 Å²	49	65.3 Å²	65.3	26%	0.257	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-65.2	127.6	-177	-65.7	167	0	0	0	111.8	L86 R88 R90 L97	L86-L137 VanDerWaalsContact CD1-O 3.25Å; L86-L137 WeakPolarHBondContact CD1-O 3.46Å; R88-L137 WeakPolarHBondContact O-CD1 3.16Å; R90-L137 HydrophobicContact CG-CD1 3.75Å; L97-L137 HydrophobicContact CD2-CB 4.07Å
138	G	89.9	Confident	85	Confident	4 Å²	4	75.1 Å²	75.1	4%	0.041	41%	0.406	C	S	.	.			trans	-85.7	-179.3	171.3	0	0	0	0	0	112.6	R90 G127 G129 S130 Y136	R90-G138 PolarHBondContact NH2-O 3.19Å; G127-G138 CarbonylContact O-C 3.42Å; G127-G138 WeakPolarHBondContact O-CA 3.26Å; G129-G138 CarbonylContact O-C 3.57Å; G129-G138 VanDerWaalsContact O-CA 3.25Å; G129-G138 WeakPolarHBondContact O-CA 3.46Å; S130-G138 PolarHBondContact O-N 3.34Å; Y136-G138 PolarHBondContact O-N 3.04Å
139	S	90.4	Very high	84.8	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.014	39%	0.39	C	S	.	.			trans	-106.4	1.4	-174.5	59.3	0	0	0	0	114.5	G127 Y128 G129 D141 A142 I143	G127-S139 WeakPolarHBondContact O-CB 3.41Å; G127-S139 PolarHBondContact O-N 3.5Å; G127-S139 PolarHBondContact O-OG 2.01Å; Y128-S139 WeakPolarHBondContact CA-OG 3.41Å; G129-S139 PolarHBondContact O-N 3.01Å; S139-D141 PolarHBondContact O-N 3.31Å; S139-A142 CarbonylContact O-C 3.58Å; S139-A142 PolarHBondContact O-N 2.02Å; S139-I143 PolarHBondContact O-N 3.01Å
140	M	87	Confident	84.5	Confident	95 Å²	95	72.1 Å²	72.1	47%	0.468	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	133	170.6	-171.9	173.8	-69.7	0	0	109.7	Y128 G129 A142	Y128-M140 PolarHBondContact O-N 2.6Å; G129-M140 VanDerWaalsContact O-CB 3.29Å; G129-M140 WeakPolarHBondContact O-CB 3.48Å; G129-M140 PolarHBondContact O-N 3.01Å; G129-M140 VanDerWaalsContact O-N 3.11Å; M140-A142 PolarHBondContact O-N 2.98Å
141	D	83	Confident	84.2	Confident	166 Å²	166	70.2 Å²	70.2	89%	0.888	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	1.9	-175.8	-50	-41.1	0	0	0	116.6	S139	S139-D141 PolarHBondContact O-N 3.31Å
142	A	82.9	Confident	83.8	Confident	8 Å²	8	72.6 Å²	72.6	7%	0.066	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	7.8	-176.3	0	0	0	0	0	114.2	R90 S139 M140 N144 I145 C146	R90-A142 VanDerWaalsContact NH2-CB 3.32Å; S139-A142 CarbonylContact O-C 3.58Å; S139-A142 PolarHBondContact O-N 2.02Å; M140-A142 PolarHBondContact O-N 2.98Å; A142-N144 PolarHBondContact O-N 2.86Å; A142-N144 VanDerWaalsContact O-N 3.11Å; A142-I145 PolarHBondContact O-N 3.46Å; A142-C146 PolarHBondContact O-N 2.72Å; A142-C146 VanDerWaalsContact O-N 3.08Å; A142-C146 PolarHBondContact O-SG 2.94Å
143	I	82.6	Confident	83.2	Confident	73 Å²	73	76.1 Å²	76.1	37%	0.374	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-35.8	-174	-165.3	64.7	0	0	0	113.2	I126 S139 I145	I126-I143 HydrophobicContact CD1-CD1 4.41Å; S139-I143 PolarHBondContact O-N 3.01Å; I143-I145 VanDerWaalsContact C-N 3.31Å; I143-I145 PolarHBondContact O-N 3.14Å
144	N	82.5	Confident	82.6	Confident	130 Å²	130	72.1 Å²	72.1	70%	0.695	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.2	-179.8	-68.2	-32.9	0	0	0	114.2	A142	A142-N144 PolarHBondContact O-N 2.86Å; A142-N144 VanDerWaalsContact O-N 3.11Å
145	I	77.8	Confident	81.8	Confident	63 Å²	63	74.6 Å²	74.6	32%	0.323	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-26.5	-176.8	-58.9	170.3	0	0	0	110.5	T94 R96 A142 I143 W147	T94-I145 WeakPolarHBondContact O-CG2 3.44Å; R96-I145 HydrophobicContact CG-CG2 3.79Å; A142-I145 PolarHBondContact O-N 3.46Å; I143-I145 VanDerWaalsContact C-N 3.31Å; I143-I145 PolarHBondContact O-N 3.14Å; I145-W147 PolarHBondContact O-N 2.96Å
146	C	70.1	Confident	81	Confident	17 Å²	17	76.5 Å²	76.5	12%	0.115	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-30.2	-178.2	-73.7	0	0	0	0	114.7	L97 A142	L97-C146 HydrophobicContact CD1-CB 4.13Å; L97-C146 VanDerWaalsContact CD1-SG 3.52Å; A142-C146 PolarHBondContact O-N 2.72Å; A142-C146 VanDerWaalsContact O-N 3.08Å; A142-C146 PolarHBondContact O-SG 2.94Å
147	W	64.6	Low	79.9	Confident	155 Å²	155	82 Å²	82	59%	0.587	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	-5.1	-166.8	-53.8	109.8	0	0	0	115.7	I124 I126 I145	I124-W147 HydrophobicContact CG2-CH2 3.5Å; I124-W147 HydrophobicContact CG2-CZ3 3.52Å; I126-W147 HydrophobicContact CD1-CH2 4.35Å; I126-W147 HydrophobicContact CD1-CZ2 3.48Å; I126-W147 VanDerWaalsContact CD1-CZ2 3.48Å; I126-W147 HydrophobicContact CG1-CZ2 4.12Å; I145-W147 PolarHBondContact O-N 2.96Å
148	R	56.8	Low	78.9	Confident	222 Å²	222	85 Å²	85	84%	0.838	40%	0.401	S	S	*	.			trans	-80.2	0	176.2	-69.5	-174.2	177.8	-129.7	-0.4	110.2	R96	R96-R148 WeakPolarHBondContact CD-OXT 3.07Å; R96-R148 PolarHBondContact NE-OXT 2.8Å; R96-R148 PolarHBondContact NH1-O 3.46Å; R96-R148 PolarHBondContact NH1-OXT 3.35Å; R96-R148 PolarHBondContact NH2-O 2.98Å; R96-R148 PolarHBondContact NH2-OXT 2.74Å

Retrieved 148 of 148 residues in 77.9 ms (Link to these results)

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