G4LUC6_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession G4LUC6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 103 aa.

						>G4LUC6_SCHMA|G4LUC6
MPIEQRPYSNVIHQSGERKAVIKYVEMSKEMQQDAVQTAAMAMDKYNDDKDIALFLKKEFDRKYEPTWHCIIGSKFSSYVTHIKQFCIYFSLEDRGVLLFKTV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	41.1	Very low	53.1	Low	145 Å²	145	118.7 Å²	118.7	71%	0.714	60%	0.599	S	S	*	*				0	133	0	-114.4	-172.8	-77.9	0	0	106.9	I3 R6	M1-I3 PolarHBondContact O-N 3.5Å; M1-R6 VanDerWaalsContact CE-NH2 3.33Å
2	P	44.6	Very low	55	Low	84 Å²	84	116.2 Å²	116.2	55%	0.545	59%	0.587	S	S	.	*			trans	-56.7	125.5	172	-17.7	29.9	0	0	0	109.1	E4	P2-E4 PolarHBondContact O-N 3Å
3	I	50.8	Low	56.7	Low	97 Å²	97	109.2 Å²	109.2	50%	0.497	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-67.8	-15.5	-178.8	-65.3	170.5	0	0	0	110.9	M1 Q5	M1-I3 PolarHBondContact O-N 3.5Å; I3-Q5 PolarHBondContact O-N 3.25Å
4	E	47.1	Very low	57.8	Low	186 Å²	186	113.6 Å²	113.6	87%	0.869	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-70.2	2.1	-173.3	-65	-177	148.8	0	0	116.4	P2	P2-E4 PolarHBondContact O-N 3Å
5	Q	42.1	Very low	58.6	Low	175 Å²	175	107.7 Å²	107.7	82%	0.818	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-123.6	9.8	-176.2	-68.8	-171	-7.2	0	0	116.1	I3	I3-Q5 PolarHBondContact O-N 3.25Å
6	R	52.6	Low	59.5	Low	111 Å²	111	105.7 Å²	105.7	42%	0.419	56%	0.557	S	S	.	*	S	Bend	trans	-108.9	130.5	168.3	-68.8	-165	-162.6	168.2	14.7	111	M1 Y8 E26	M1-R6 VanDerWaalsContact CE-NH2 3.33Å; R6-Y8 PolarHBondContact O-N 2.72Å; R6-E26 IonicContact CZ-OE1 2.57Å; R6-E26 IonicContact NH1-OE1 2.67Å; R6-E26 PolarHBondContact NH1-OE1 3.48Å; R6-E26 IonicContact NH2-OE1 3.91Å; R6-E26 PolarHBondContact NH2-OE1 3.36Å
7	P	53.1	Low	60.6	Low	120 Å²	120	111.4 Å²	111.4	78%	0.779	58%	0.58	S	S	*	*			trans	-58.4	128.7	175.5	23.7	-30.6	0	0	0	108.6	S9	P7-S9 PolarHBondContact O-N 2.67Å
8	Y	54.7	Low	62.1	Low	166 Å²	166	107.6 Å²	107.6	65%	0.651	56%	0.557	S	S	*	*			trans	-50.1	108.5	172	-63.2	-81.1	0	0	0	108.7	R6 N10	R6-Y8 PolarHBondContact O-N 2.72Å; Y8-N10 PolarHBondContact O-N 3.06Å; Y8-N10 VanDerWaalsContact O-N 3.08Å
9	S	60.1	Low	63.6	Low	40 Å²	40	108.1 Å²	108.1	28%	0.28	55%	0.554	S	S	.	*			trans	-76.3	98.4	176.2	60.1	0	0	0	0	107.9	P7 V11 I22	P7-S9 PolarHBondContact O-N 2.67Å; S9-V11 PolarHBondContact O-N 2.73Å; S9-I22 CarbonylContact O-C 3.58Å
10	N	64.2	Low	65.2	Low	121 Å²	121	102.7 Å²	102.7	65%	0.647	53%	0.527	S	S	*	.			trans	-74	61.9	176.6	-70	-40.1	0	0	0	111.2	Y8	Y8-N10 PolarHBondContact O-N 3.06Å; Y8-N10 VanDerWaalsContact O-N 3.08Å
11	V	73.7	Confident	66.6	Low	61 Å²	61	99.3 Å²	99.3	37%	0.37	51%	0.511	S	S	.	.			trans	-81.8	126.2	168.3	-172.4	0	0	0	0	107.3	S9 H13 I22	S9-V11 PolarHBondContact O-N 2.73Å; V11-H13 VanDerWaalsContact CG1-NE2 3.31Å; V11-H13 WeakPolarHBondContact CG1-NE2 3.35Å; V11-I22 HydrophobicContact CB-CB 4.28Å; V11-I22 HydrophobicContact CB-CG1 4.07Å; V11-I22 WeakPolarHBondContact O-CG1 3.28Å; V11-I22 PolarHBondContact O-N 2.88Å
12	I	75.5	Confident	69.1	Low	88 Å²	88	92.4 Å²	92.4	45%	0.451	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.4	174.3	-69.8	161.2	0	0	0	107.2	K19 A20	I12-K19 VanDerWaalsContact CD1-CE 3.44Å; I12-K19 HydrophobicContact CG2-CD 4.04Å; I12-K19 HydrophobicContact CG2-CG 3.67Å; I12-A20 WeakPolarHBondContact CA-O 3.19Å
13	H	77	Confident	71.4	Confident	26 Å²	26	91.6 Å²	91.6	12%	0.12	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142	168.3	-69.1	-99.8	0	0	0	109	V11 A20 V36	V11-H13 VanDerWaalsContact CG1-NE2 3.31Å; V11-H13 WeakPolarHBondContact CG1-NE2 3.35Å; H13-A20 HydrophobicContact CB-CB 4.25Å; H13-A20 PolarHBondContact N-O 3.15Å; H13-A20 VanDerWaalsContact N-O 3.15Å; H13-A20 PolarHBondContact O-N 3Å; H13-V36 HydrophobicContact CB-CB 4.31Å; H13-V36 HydrophobicContact CB-CG1 3.93Å; H13-V36 HydrophobicContact CB-CG2 4.12Å
14	Q	72.3	Confident	73.5	Confident	170 Å²	170	88.4 Å²	88.4	79%	0.794	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.1	172.8	-73.9	178.5	-34.5	0	0	108.6
15	S	69.7	Low	75.7	Confident	26 Å²	26	81.1 Å²	81.1	18%	0.182	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	94.5	169.9	-179.9	0	0	0	0	108.1	R18 A40	S15-R18 PolarHBondContact N-O 3.04Å; S15-R18 PolarHBondContact O-N 3.13Å; S15-A40 VanDerWaalsContact OG-CB 3.28Å; S15-A40 WeakPolarHBondContact OG-CB 3.35Å
16	G	73.8	Confident	78.2	Confident	75 Å²	75	74 Å²	74	77%	0.773	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	-131.2	-170.4	0	0	0	0	0	111.4	R18	G16-R18 VanDerWaalsContact C-N 3.28Å; G16-R18 PolarHBondContact O-N 2.79Å
17	E	78.2	Confident	80.2	Confident	203 Å²	203	69.6 Å²	69.6	95%	0.949	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.4	177.7	-62	-177.9	169.5	0	0	113
18	R	87.8	Confident	82.2	Confident	42 Å²	42	66.8 Å²	66.8	16%	0.158	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	130	-176.1	-58.6	-169.1	179.7	79	2.7	112.1	S15 G16 D44 L92 E93	S15-R18 PolarHBondContact N-O 3.04Å; S15-R18 PolarHBondContact O-N 3.13Å; G16-R18 VanDerWaalsContact C-N 3.28Å; G16-R18 PolarHBondContact O-N 2.79Å; R18-D44 IonicContact CZ-OD1 2.73Å; R18-D44 IonicContact NH1-OD1 3.88Å; R18-D44 PolarHBondContact NH1-OD1 2.69Å; R18-D44 IonicContact NH1-OD2 3.43Å; R18-D44 PolarHBondContact NH1-OD2 3.39Å; R18-D44 IonicContact NH2-OD1 2.72Å; R18-D44 PolarHBondContact NH2-OD1 2.69Å; R18-L92 HydrophobicContact CB-CD1 3.66Å; R18-L92 HydrophobicContact CB-CG 4.35Å; R18-E93 WeakPolarHBondContact CD-OE1 3.31Å; R18-E93 HydrophobicContact CG-CG 4.27Å; R18-E93 WeakPolarHBondContact CG-OE1 3.32Å; R18-E93 IonicContact CZ-OE1 3Å; R18-E93 IonicContact NE-OE1 2.67Å; R18-E93 PolarHBondContact NE-OE1 3.29Å; R18-E93 IonicContact NE-OE2 2.72Å
19	K	90.3	Very high	84	Confident	118 Å²	118	66 Å²	66	51%	0.513	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.7	175.5	-176.3	176.9	169.8	170.9	0	109.9	I12	I12-K19 VanDerWaalsContact CD1-CE 3.44Å; I12-K19 HydrophobicContact CG2-CD 4.04Å; I12-K19 HydrophobicContact CG2-CG 3.67Å
20	A	94.6	Very high	85.7	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	138	172.2	0	0	0	0	0	110.5	I12 H13 V36 F90 S91 L92	I12-A20 WeakPolarHBondContact CA-O 3.19Å; H13-A20 HydrophobicContact CB-CB 4.25Å; H13-A20 PolarHBondContact N-O 3.15Å; H13-A20 VanDerWaalsContact N-O 3.15Å; H13-A20 PolarHBondContact O-N 3Å; A20-V36 HydrophobicContact CB-CB 4.31Å; A20-V36 HydrophobicContact CB-CG1 3.51Å; A20-V36 HydrophobicContact CB-CG2 3.77Å; A20-F90 HydrophobicContact CB-CD2 4.11Å; A20-S91 CarbonylContact C-O 3.49Å; A20-S91 WeakPolarHBondContact CA-O 3.35Å; A20-L92 HydrophobicContact CB-CD1 3.89Å
21	V	94.5	Very high	87.3	Confident	32 Å²	32	65.3 Å²	65.3	19%	0.194	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	107.7	172	-176.1	0	0	0	0	108.4	K23 F90 S91	V21-K23 HydrophobicContact CG1-CD 4.35Å; V21-F90 CarbonylContact O-C 3.57Å; V21-F90 VanDerWaalsContact O-CA 3.27Å; V21-F90 WeakPolarHBondContact O-CA 3.4Å; V21-F90 WeakPolarHBondContact O-CB 3.42Å; V21-S91 WeakPolarHBondContact CB-OG 3.42Å; V21-S91 PolarHBondContact N-O 3.23Å; V21-S91 PolarHBondContact O-N 3.38Å
22	I	94.5	Very high	88.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	134.2	176.7	-51.9	-51.6	0	0	0	109.1	S9 V11 V25 V36 I88 F90	S9-I22 CarbonylContact O-C 3.58Å; V11-I22 HydrophobicContact CB-CB 4.28Å; V11-I22 HydrophobicContact CB-CG1 4.07Å; V11-I22 WeakPolarHBondContact O-CG1 3.28Å; V11-I22 PolarHBondContact O-N 2.88Å; I22-V25 HydrophobicContact CG2-CB 3.91Å; I22-V25 HydrophobicContact CG2-CG1 4.19Å; I22-V36 HydrophobicContact CD1-CG2 3.99Å; I22-I88 HydrophobicContact CD1-CD1 3.88Å; I22-I88 HydrophobicContact CD1-CG1 4.47Å; I22-F90 HydrophobicContact CD1-CB 3.49Å; I22-F90 VanDerWaalsContact CD1-CB 3.49Å; I22-F90 HydrophobicContact CD1-CD1 4.37Å; I22-F90 HydrophobicContact CD1-CG 4.03Å
23	K	93.2	Very high	89.3	Confident	66 Å²	66	64.2 Å²	64.2	29%	0.287	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-36.3	179.2	-60.4	-59.3	-177.6	-178.9	0	111.3	V21 Y89	V21-K23 HydrophobicContact CG1-CD 4.35Å; K23-Y89 HydrophobicContact CB-CD1 3.43Å; K23-Y89 VanDerWaalsContact CB-CD1 3.43Å; K23-Y89 HydrophobicContact CB-CE1 3.59Å; K23-Y89 HydrophobicContact CB-CG 4.21Å; K23-Y89 HydrophobicContact CG-CD1 4.14Å; K23-Y89 HydrophobicContact CG-CE1 3.85Å; K23-Y89 PolarHBondContact N-O 3.03Å
24	Y	93.7	Very high	90.3	Very high	30 Å²	30	64.2 Å²	64.2	12%	0.118	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	144.9	173.7	169.9	-91.9	0	0	0	110	E26 C87 I88 Y89	Y24-E26 HydrophobicContact CE1-CG 4.14Å; Y24-E26 HydrophobicContact CE2-CG 4.4Å; Y24-E26 VanDerWaalsContact OH-CG 3.29Å; Y24-E26 WeakPolarHBondContact OH-CG 3.4Å; Y24-E26 PolarHBondContact OH-OE1 3.43Å; Y24-E26 PolarHBondContact OH-OE2 2.98Å; Y24-C87 HydrophobicContact CE1-CB 4.14Å; Y24-I88 WeakPolarHBondContact O-CA 3.25Å; Y24-Y89 PolarHBondContact N-O 3.22Å; Y24-Y89 PolarHBondContact O-N 3.4Å
25	V	94.4	Very high	91.5	Very high	34 Å²	34	56.1 Å²	56.1	21%	0.206	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	135.8	179.8	67.7	0	0	0	0	112.9	I22 M27 Q32 I88	I22-V25 HydrophobicContact CG2-CB 3.91Å; I22-V25 HydrophobicContact CG2-CG1 4.19Å; V25-M27 HydrophobicContact CG2-CG 3.56Å; V25-Q32 HydrophobicContact CG2-CG 3.5Å; V25-Q32 VanDerWaalsContact CG2-NE2 3.34Å; V25-I88 HydrophobicContact CB-CG1 4.33Å; V25-I88 HydrophobicContact CG2-CB 4.48Å; V25-I88 HydrophobicContact CG2-CD1 4.33Å; V25-I88 HydrophobicContact CG2-CG1 4.04Å
26	E	94.3	Very high	92.8	Very high	24 Å²	24	55 Å²	55	11%	0.112	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	82.1	166.3	-72.9	-171.5	163.4	0	0	106.9	R6 Y24 H82 Q85 F86 C87	R6-E26 IonicContact CZ-OE1 2.57Å; R6-E26 IonicContact NH1-OE1 2.67Å; R6-E26 PolarHBondContact NH1-OE1 3.48Å; R6-E26 IonicContact NH2-OE1 3.91Å; R6-E26 PolarHBondContact NH2-OE1 3.36Å; Y24-E26 HydrophobicContact CE1-CG 4.14Å; Y24-E26 HydrophobicContact CE2-CG 4.4Å; Y24-E26 VanDerWaalsContact OH-CG 3.29Å; Y24-E26 WeakPolarHBondContact OH-CG 3.4Å; Y24-E26 PolarHBondContact OH-OE1 3.43Å; Y24-E26 PolarHBondContact OH-OE2 2.98Å; E26-H82 IonicContact OE2-CD2 3.52Å; E26-H82 IonicContact OE2-CE1 3.08Å; E26-H82 IonicContact OE2-NE2 2.69Å; E26-H82 PolarHBondContact OE2-NE2 3.02Å; E26-Q85 CarbonylContact O-C 3.42Å; E26-Q85 WeakPolarHBondContact O-CA 3.39Å; E26-F86 PolarHBondContact O-N 2.91Å; E26-C87 CarbonylContact C-O 3.58Å; E26-C87 PolarHBondContact N-O 2.95Å; E26-C87 PolarHBondContact O-N 3Å
27	M	94.1	Very high	93.9	Very high	20 Å²	20	56.7 Å²	56.7	10%	0.099	27%	0.269	C	S	.	.	S	Bend	trans	-172.9	167.7	174.1	47.3	170.8	67.1	0	0	109.4	V25 M31 Q32 W68 Q85 I88	V25-M27 HydrophobicContact CG2-CG 3.56Å; M27-M31 HydrophobicContact CB-CB 4.25Å; M27-M31 HydrophobicContact CB-CG 4.3Å; M27-M31 HydrophobicContact CB-SD 3.74Å; M27-M31 HydrophobicContact CE-CG 4.27Å; M27-M31 HydrophobicContact CE-SD 4Å; M27-M31 HydrophobicContact SD-CB 4.14Å; M27-M31 HydrophobicContact SD-CG 3.81Å; M27-M31 HydrophobicContact SD-SD 4.13Å; M27-Q32 HydrophobicContact CG-CG 3.64Å; M27-Q32 PolarHBondContact O-NE2 3.44Å; M27-Q32 HydrophobicContact SD-CG 3.9Å; M27-W68 HydrophobicContact CE-CH2 4.39Å; M27-W68 HydrophobicContact CE-CZ3 4.39Å; M27-Q85 WeakPolarHBondContact CA-O 3.49Å; M27-Q85 WeakPolarHBondContact CB-O 3.33Å; M27-I88 HydrophobicContact CE-CB 3.57Å; M27-I88 HydrophobicContact CE-CG2 3.51Å; M27-I88 HydrophobicContact CG-CB 4.42Å; M27-I88 HydrophobicContact SD-CB 3.73Å; M27-I88 HydrophobicContact SD-CD1 3.98Å; M27-I88 HydrophobicContact SD-CG1 4.34Å; M27-I88 HydrophobicContact SD-CG2 3.91Å
28	S	94.9	Very high	94.8	Very high	60 Å²	60	47.2 Å²	47.2	42%	0.42	23%	0.225	S	C	.	.			trans	-67.3	158.7	178.3	87.3	0	0	0	0	112.2	E30 M31 Q32	S28-E30 WeakPolarHBondContact CB-OE2 3.4Å; S28-E30 PolarHBondContact O-N 3.46Å; S28-E30 PolarHBondContact OG-OE2 3.2Å; S28-M31 PolarHBondContact O-N 3Å; S28-M31 PolarHBondContact OG-N 3.43Å; S28-Q32 VanDerWaalsContact O-CG 3.23Å; S28-Q32 WeakPolarHBondContact O-CG 3.15Å; S28-Q32 PolarHBondContact O-N 3Å
29	K	94	Very high	95.3	Very high	149 Å²	149	45.2 Å²	45.2	65%	0.648	22%	0.218	S	C	*	.	H	α-helix	trans	-60.8	-34	-179.7	-72.4	-174.4	178.3	179	0	112.3	Q32 Q33	K29-Q32 WeakPolarHBondContact O-CB 3.15Å; K29-Q32 PolarHBondContact O-N 2.85Å; K29-Q33 WeakPolarHBondContact O-CG 3.45Å; K29-Q33 PolarHBondContact O-N 3.31Å
30	E	95.7	Very high	95.6	Very high	127 Å²	127	39.6 Å²	39.6	59%	0.593	19%	0.194	S	C	*	.	H	α-helix	trans	-66.8	-45.8	179.3	-55.9	69.6	-146.1	0	0	110	S28 Q32 Q33 D34	S28-E30 WeakPolarHBondContact CB-OE2 3.4Å; S28-E30 PolarHBondContact O-N 3.46Å; S28-E30 PolarHBondContact OG-OE2 3.2Å; E30-Q32 VanDerWaalsContact C-N 3.32Å; E30-Q32 PolarHBondContact O-N 2.88Å; E30-Q33 PolarHBondContact O-N 2.89Å; E30-D34 PolarHBondContact O-N 2.92Å
31	M	96.8	Very high	95.6	Very high	20 Å²	20	44.4 Å²	44.4	10%	0.099	22%	0.217	C	C	.	.	H	α-helix	trans	-66.9	-34.1	176.4	-169.6	-177.9	-70.8	0	0	112	M27 S28 D34 A35 F60 Y64 W68 F86	M27-M31 HydrophobicContact CB-CB 4.25Å; M27-M31 HydrophobicContact CB-CG 4.3Å; M27-M31 HydrophobicContact CB-SD 3.74Å; M27-M31 HydrophobicContact CE-CG 4.27Å; M27-M31 HydrophobicContact CE-SD 4Å; M27-M31 HydrophobicContact SD-CB 4.14Å; M27-M31 HydrophobicContact SD-CG 3.81Å; M27-M31 HydrophobicContact SD-SD 4.13Å; S28-M31 PolarHBondContact O-N 3Å; S28-M31 PolarHBondContact OG-N 3.43Å; M31-D34 PolarHBondContact O-N 3.3Å; M31-A35 WeakPolarHBondContact O-CB 3.3Å; M31-A35 PolarHBondContact O-N 2.97Å; M31-F60 HydrophobicContact CG-CE1 4.12Å; M31-Y64 HydrophobicContact CE-CD1 3.59Å; M31-Y64 HydrophobicContact CE-CE1 3.76Å; M31-Y64 HydrophobicContact CE-CG 4.09Å; M31-Y64 HydrophobicContact CG-CE1 4.33Å; M31-Y64 HydrophobicContact CG-CE2 4.31Å; M31-W68 HydrophobicContact SD-CH2 3.92Å; M31-W68 HydrophobicContact SD-CZ2 4.39Å; M31-F86 HydrophobicContact CE-CD1 3.97Å; M31-F86 HydrophobicContact CE-CE1 3.86Å; M31-F86 HydrophobicContact SD-CD1 4.07Å
32	Q	96.5	Very high	95.7	Very high	17 Å²	17	42.9 Å²	42.9	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-47	173.3	-66.4	168.2	38.1	0	0	111.7	V25 M27 S28 K29 E30 D34 A35 V36 I88	V25-Q32 HydrophobicContact CG2-CG 3.5Å; V25-Q32 VanDerWaalsContact CG2-NE2 3.34Å; M27-Q32 HydrophobicContact CG-CG 3.64Å; M27-Q32 PolarHBondContact O-NE2 3.44Å; M27-Q32 HydrophobicContact SD-CG 3.9Å; S28-Q32 VanDerWaalsContact O-CG 3.23Å; S28-Q32 WeakPolarHBondContact O-CG 3.15Å; S28-Q32 PolarHBondContact O-N 3Å; K29-Q32 WeakPolarHBondContact O-CB 3.15Å; K29-Q32 PolarHBondContact O-N 2.85Å; E30-Q32 VanDerWaalsContact C-N 3.32Å; E30-Q32 PolarHBondContact O-N 2.88Å; Q32-D34 VanDerWaalsContact C-N 3.34Å; Q32-A35 PolarHBondContact O-N 2.74Å; Q32-V36 WeakPolarHBondContact O-CG2 3.4Å; Q32-V36 PolarHBondContact O-N 3.3Å; Q32-I88 HydrophobicContact CB-CD1 4.15Å; Q32-I88 HydrophobicContact CG-CD1 4.06Å
33	Q	95.4	Very high	95.8	Very high	110 Å²	110	43.5 Å²	43.5	51%	0.514	21%	0.211	S	C	.	.	H	α-helix	trans	-61.6	-44.7	177.5	-73	172.8	6.5	0	0	110.9	K29 E30 A35 V36 Q37	K29-Q33 WeakPolarHBondContact O-CG 3.45Å; K29-Q33 PolarHBondContact O-N 3.31Å; E30-Q33 PolarHBondContact O-N 2.89Å; Q33-A35 VanDerWaalsContact C-N 3.33Å; Q33-A35 PolarHBondContact O-N 3.28Å; Q33-V36 PolarHBondContact O-N 3.32Å; Q33-Q37 WeakPolarHBondContact O-CB 3.27Å; Q33-Q37 PolarHBondContact O-N 3.04Å
34	D	97.2	Very high	95.8	Very high	26 Å²	26	45.8 Å²	45.8	14%	0.139	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-37.1	177.7	-166.4	28.6	0	0	0	112.1	E30 M31 Q32 T38 K63 Y64	E30-D34 PolarHBondContact O-N 2.92Å; M31-D34 PolarHBondContact O-N 3.3Å; Q32-D34 VanDerWaalsContact C-N 3.34Å; D34-T38 WeakPolarHBondContact O-CB 3.46Å; D34-T38 PolarHBondContact O-N 2.98Å; D34-T38 PolarHBondContact O-OG1 3.23Å; D34-T38 PolarHBondContact OD1-OG1 3.31Å; D34-K63 VanDerWaalsContact CG-NZ 3.32Å; D34-K63 IonicContact OD1-NZ 3.76Å; D34-K63 PolarHBondContact OD1-NZ 3.03Å; D34-K63 VanDerWaalsContact OD2-CD 3.25Å; D34-K63 WeakPolarHBondContact OD2-CD 3.17Å; D34-K63 IonicContact OD2-NZ 2.74Å; D34-K63 PolarHBondContact OD2-NZ 3.01Å; D34-K63 VanDerWaalsContact OD2-NZ 3.13Å; D34-Y64 WeakPolarHBondContact CB-OH 3.23Å; D34-Y64 VanDerWaalsContact OD2-CE2 3.29Å; D34-Y64 WeakPolarHBondContact OD2-CE2 3.5Å; D34-Y64 PolarHBondContact OD2-OH 3.15Å
35	A	97.7	Very high	95.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-48.1	175.1	0	0	0	0	0	111.6	M31 Q32 Q33 A39 F60 I88 F90 L99	M31-A35 WeakPolarHBondContact O-CB 3.3Å; M31-A35 PolarHBondContact O-N 2.97Å; Q32-A35 PolarHBondContact O-N 2.74Å; Q33-A35 VanDerWaalsContact C-N 3.33Å; Q33-A35 PolarHBondContact O-N 3.28Å; A35-A39 VanDerWaalsContact O-CB 3.3Å; A35-A39 WeakPolarHBondContact O-CB 3.39Å; A35-A39 PolarHBondContact O-N 3.04Å; A35-F60 HydrophobicContact CB-CE1 4.27Å; A35-F60 HydrophobicContact CB-CE2 4.27Å; A35-F60 HydrophobicContact CB-CZ 3.57Å; A35-I88 HydrophobicContact CB-CD1 4.33Å; A35-I88 HydrophobicContact CB-CG2 4.12Å; A35-F90 HydrophobicContact CB-CE1 4.43Å; A35-L99 HydrophobicContact CB-CD2 4.03Å
36	V	97.1	Very high	96	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.018	25%	0.25	C	S	.	.	H	α-helix	trans	-64.6	-44.7	178.5	169.6	0	0	0	0	111.3	H13 A20 I22 Q32 Q33 A39 A40 F90	H13-V36 HydrophobicContact CB-CB 4.31Å; H13-V36 HydrophobicContact CB-CG1 3.93Å; H13-V36 HydrophobicContact CB-CG2 4.12Å; A20-V36 HydrophobicContact CB-CB 4.31Å; A20-V36 HydrophobicContact CB-CG1 3.51Å; A20-V36 HydrophobicContact CB-CG2 3.77Å; I22-V36 HydrophobicContact CD1-CG2 3.99Å; Q32-V36 WeakPolarHBondContact O-CG2 3.4Å; Q32-V36 PolarHBondContact O-N 3.3Å; Q33-V36 PolarHBondContact O-N 3.32Å; V36-A39 PolarHBondContact O-N 3.12Å; V36-A40 PolarHBondContact O-N 3.29Å; V36-F90 HydrophobicContact CG2-CD2 4.28Å; V36-F90 HydrophobicContact CG2-CE2 4.17Å; V36-F90 HydrophobicContact CG2-CG 4.49Å; V36-F90 HydrophobicContact CG2-CZ 4.27Å
37	Q	96.6	Very high	96	Very high	109 Å²	109	58.2 Å²	58.2	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-66.9	-42.8	-179.3	-173.4	175.8	8.1	0	0	111.8	Q33 A39 A40 M41	Q33-Q37 WeakPolarHBondContact O-CB 3.27Å; Q33-Q37 PolarHBondContact O-N 3.04Å; Q37-A39 VanDerWaalsContact C-N 3.27Å; Q37-A39 PolarHBondContact O-N 3.45Å; Q37-A40 PolarHBondContact O-N 3.4Å; Q37-M41 WeakPolarHBondContact O-CB 3.32Å; Q37-M41 PolarHBondContact O-N 2.88Å
38	T	97.6	Very high	96.1	Very high	4 Å²	4	61.6 Å²	61.6	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-38.2	175.5	-57.8	0	0	0	0	110.5	D34 A42 F55 L56 E59 F60	D34-T38 WeakPolarHBondContact O-CB 3.46Å; D34-T38 PolarHBondContact O-N 2.98Å; D34-T38 PolarHBondContact O-OG1 3.23Å; D34-T38 PolarHBondContact OD1-OG1 3.31Å; T38-A42 WeakPolarHBondContact O-CB 3.47Å; T38-A42 PolarHBondContact O-N 2.88Å; T38-F55 HydrophobicContact CG2-CD1 4.13Å; T38-F55 HydrophobicContact CG2-CE1 3.82Å; T38-L56 HydrophobicContact CG2-CG 4.31Å; T38-E59 HydrophobicContact CG2-CB 3.79Å; T38-E59 HydrophobicContact CG2-CG 4.12Å; T38-F60 HydrophobicContact CG2-CE2 4.39Å
39	A	97.6	Very high	96.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.7	-46.4	175.8	0	0	0	0	0	113.1	A35 V36 Q37 M41 A42 M43 L56 F90 L92	A35-A39 VanDerWaalsContact O-CB 3.3Å; A35-A39 WeakPolarHBondContact O-CB 3.39Å; A35-A39 PolarHBondContact O-N 3.04Å; V36-A39 PolarHBondContact O-N 3.12Å; Q37-A39 VanDerWaalsContact C-N 3.27Å; Q37-A39 PolarHBondContact O-N 3.45Å; A39-M41 PolarHBondContact O-N 2.87Å; A39-A42 WeakPolarHBondContact O-CB 3.39Å; A39-A42 PolarHBondContact O-N 3.08Å; A39-M43 WeakPolarHBondContact O-CG 3.25Å; A39-M43 PolarHBondContact O-N 2.74Å; A39-L56 HydrophobicContact CB-CD1 4.49Å; A39-L56 HydrophobicContact CB-CD2 3.76Å; A39-L56 HydrophobicContact CB-CG 4.39Å; A39-F90 HydrophobicContact CB-CE2 3.95Å; A39-F90 HydrophobicContact CB-CZ 3.67Å; A39-L92 HydrophobicContact CB-CD2 3.92Å
40	A	96.5	Very high	96.4	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-60.4	-45.4	176.4	0	0	0	0	0	111.5	S15 V36 Q37 A42 M43 D44 L92	S15-A40 VanDerWaalsContact OG-CB 3.28Å; S15-A40 WeakPolarHBondContact OG-CB 3.35Å; V36-A40 PolarHBondContact O-N 3.29Å; Q37-A40 PolarHBondContact O-N 3.4Å; A40-A42 VanDerWaalsContact C-N 3.3Å; A40-A42 PolarHBondContact O-N 2.94Å; A40-M43 PolarHBondContact O-N 3.21Å; A40-D44 PolarHBondContact O-N 2.9Å; A40-L92 HydrophobicContact CB-CD2 4.17Å
41	M	95.5	Very high	96.6	Very high	101 Å²	101	59 Å²	59	50%	0.498	29%	0.287	S	S	.	.	H	α-helix	trans	-60.3	-39.4	176.2	-176.9	-172.7	-61.4	0	0	112.4	Q37 A39 D44 K45 F55	Q37-M41 WeakPolarHBondContact O-CB 3.32Å; Q37-M41 PolarHBondContact O-N 2.88Å; A39-M41 PolarHBondContact O-N 2.87Å; M41-D44 PolarHBondContact O-N 2.93Å; M41-K45 PolarHBondContact O-N 3.25Å; M41-F55 HydrophobicContact CG-CZ 4.45Å; M41-F55 HydrophobicContact SD-CE1 4.33Å; M41-F55 HydrophobicContact SD-CZ 3.93Å
42	A	96.9	Very high	96.6	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.5	-42.2	176.9	0	0	0	0	0	111.7	T38 A39 A40 D44 K45 Y46 I52 F55 L56	T38-A42 WeakPolarHBondContact O-CB 3.47Å; T38-A42 PolarHBondContact O-N 2.88Å; A39-A42 WeakPolarHBondContact O-CB 3.39Å; A39-A42 PolarHBondContact O-N 3.08Å; A40-A42 VanDerWaalsContact C-N 3.3Å; A40-A42 PolarHBondContact O-N 2.94Å; A42-D44 VanDerWaalsContact C-N 3.3Å; A42-D44 PolarHBondContact O-N 3.13Å; A42-K45 PolarHBondContact O-N 2.62Å; A42-K45 VanDerWaalsContact O-N 3.13Å; A42-Y46 WeakPolarHBondContact O-CD2 3.43Å; A42-Y46 PolarHBondContact O-N 3.43Å; A42-I52 HydrophobicContact CB-CB 4.43Å; A42-I52 HydrophobicContact CB-CG2 3.68Å; A42-F55 HydrophobicContact CB-CB 4.21Å; A42-F55 HydrophobicContact CB-CD1 3.52Å; A42-F55 HydrophobicContact CB-CE1 4.15Å; A42-F55 HydrophobicContact CB-CG 4.08Å; A42-L56 HydrophobicContact CB-CD1 3.46Å; A42-L56 VanDerWaalsContact CB-CD1 3.46Å
43	M	95.4	Very high	96.7	Very high	13 Å²	13	58 Å²	58	6%	0.064	29%	0.285	C	S	.	.	H	α-helix	trans	-68.1	-26.6	176.9	-69.7	-179.9	-177.6	0	0	113.2	A39 A40 K45 I52 L92 R95 V97	A39-M43 WeakPolarHBondContact O-CG 3.25Å; A39-M43 PolarHBondContact O-N 2.74Å; A40-M43 PolarHBondContact O-N 3.21Å; M43-K45 VanDerWaalsContact C-N 3.32Å; M43-I52 HydrophobicContact CG-CD1 4.09Å; M43-I52 HydrophobicContact CG-CG2 4.1Å; M43-L92 HydrophobicContact CE-CB 4.09Å; M43-L92 HydrophobicContact CE-CD2 4.06Å; M43-L92 HydrophobicContact CE-CG 4.35Å; M43-L92 HydrophobicContact SD-CB 4.23Å; M43-L92 HydrophobicContact SD-CD2 3.58Å; M43-L92 VanDerWaalsContact SD-CD2 3.58Å; M43-L92 HydrophobicContact SD-CG 3.86Å; M43-R95 HydrophobicContact CE-CB 4.02Å; M43-V97 HydrophobicContact CE-CG2 3.97Å
44	D	94.6	Very high	96.9	Very high	113 Å²	113	56.2 Å²	56.2	60%	0.604	28%	0.279	S	S	*	.	H	α-helix	trans	-70.2	-29.5	170.4	-76.8	-40.6	0	0	0	112.9	R18 A40 M41 A42	R18-D44 IonicContact CZ-OD1 2.73Å; R18-D44 IonicContact NH1-OD1 3.88Å; R18-D44 PolarHBondContact NH1-OD1 2.69Å; R18-D44 IonicContact NH1-OD2 3.43Å; R18-D44 PolarHBondContact NH1-OD2 3.39Å; R18-D44 IonicContact NH2-OD1 2.72Å; R18-D44 PolarHBondContact NH2-OD1 2.69Å; A40-D44 PolarHBondContact O-N 2.9Å; M41-D44 PolarHBondContact O-N 2.93Å; A42-D44 VanDerWaalsContact C-N 3.3Å; A42-D44 PolarHBondContact O-N 3.13Å
45	K	95.8	Very high	96.9	Very high	134 Å²	134	56.6 Å²	56.6	58%	0.583	28%	0.28	S	S	*	.	H	α-helix	trans	-97.5	-29.7	-172	-172.8	173.6	178	-166.4	0	113.6	M41 A42 M43	M41-K45 PolarHBondContact O-N 3.25Å; A42-K45 PolarHBondContact O-N 2.62Å; A42-K45 VanDerWaalsContact O-N 3.13Å; M43-K45 VanDerWaalsContact C-N 3.32Å
46	Y	96.9	Very high	97	Very high	63 Å²	63	56.6 Å²	56.6	25%	0.247	28%	0.28	C	S	.	.			trans	-131.8	140.7	-171.4	-54.9	-74.7	0	0	0	110.6	A42 D51 F55	A42-Y46 WeakPolarHBondContact O-CD2 3.43Å; A42-Y46 PolarHBondContact O-N 3.43Å; Y46-D51 HydrophobicContact CD1-CB 3.85Å; Y46-D51 HydrophobicContact CG-CB 3.93Å; Y46-F55 HydrophobicContact CD2-CB 4.35Å; Y46-F55 HydrophobicContact CE2-CB 3.93Å; Y46-F55 AromaticContact CE2-CD2 3.66Å; Y46-F55 HydrophobicContact CE2-CD2 3.66Å; Y46-F55 HydrophobicContact CE2-CE2 4.44Å; Y46-F55 AromaticContact CE2-CG 3.96Å; Y46-F55 HydrophobicContact CE2-CG 3.96Å
47	N	94	Very high	97	Very high	152 Å²	152	59.5 Å²	59.5	81%	0.813	29%	0.292	S	S	*	.	S	Bend	trans	-94.5	-29	174.9	-68.3	-37	0	0	0	112.7	R95	N47-R95 PolarHBondContact O-NH2 2.72Å
48	D	96.5	Very high	97.1	Very high	91 Å²	91	60.2 Å²	60.2	49%	0.487	29%	0.293	S	S	.	.	S	Bend	trans	-83.1	126.7	-176.6	-168.4	-51.5	0	0	0	110.9	K50 D51 I52	D48-K50 PolarHBondContact O-N 3.04Å; D48-K50 VanDerWaalsContact O-N 3.15Å; D48-K50 WeakPolarHBondContact OD1-CB 3.44Å; D48-K50 PolarHBondContact OD1-N 2.79Å; D48-D51 HydrophobicContact CB-CB 4.4Å; D48-D51 PolarHBondContact O-N 2.87Å; D48-I52 WeakPolarHBondContact O-CG1 3.33Å; D48-I52 PolarHBondContact O-N 2.78Å
49	D	97.4	Very high	97.2	Very high	53 Å²	53	62.1 Å²	62.1	28%	0.283	30%	0.302	S	S	.	.	H	α-helix	trans	-54.2	-34.1	179.8	-71.8	-6.9	0	0	0	112.6	A53 I72 R95	D49-A53 VanDerWaalsContact O-CB 3.27Å; D49-A53 WeakPolarHBondContact O-CB 3.29Å; D49-A53 PolarHBondContact O-N 3.02Å; D49-I72 HydrophobicContact CB-CG2 4.33Å; D49-R95 IonicContact OD1-CZ 3.56Å; D49-R95 IonicContact OD1-NE 3.13Å; D49-R95 PolarHBondContact OD1-NE 2.67Å; D49-R95 IonicContact OD1-NH2 3.21Å; D49-R95 PolarHBondContact OD1-NH2 2.98Å
50	K	97.6	Very high	97.2	Very high	157 Å²	157	62.1 Å²	62.1	68%	0.683	30%	0.302	S	S	*	.	H	α-helix	trans	-65.9	-42.8	177.5	-177.3	-174.9	171.5	-172.1	0	111.6	D48 A53 L54	D48-K50 PolarHBondContact O-N 3.04Å; D48-K50 VanDerWaalsContact O-N 3.15Å; D48-K50 WeakPolarHBondContact OD1-CB 3.44Å; D48-K50 PolarHBondContact OD1-N 2.79Å; K50-A53 PolarHBondContact O-N 3.14Å; K50-L54 VanDerWaalsContact O-CB 3.29Å; K50-L54 WeakPolarHBondContact O-CB 3.39Å; K50-L54 PolarHBondContact O-N 2.82Å
51	D	98.2	Very high	97.3	Very high	71 Å²	71	63.3 Å²	63.3	38%	0.38	31%	0.308	S	S	.	.	H	α-helix	trans	-71.9	-38.9	-179.3	-73.5	-20.7	0	0	0	111.1	Y46 D48 L54 F55	Y46-D51 HydrophobicContact CD1-CB 3.85Å; Y46-D51 HydrophobicContact CG-CB 3.93Å; D48-D51 HydrophobicContact CB-CB 4.4Å; D48-D51 PolarHBondContact O-N 2.87Å; D51-L54 PolarHBondContact O-N 3.23Å; D51-F55 WeakPolarHBondContact O-CB 3.41Å; D51-F55 PolarHBondContact O-N 2.84Å
52	I	98.1	Very high	97.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.1	-54	172.2	-58.6	165.3	0	0	0	108.8	A42 M43 D48 L54 F55 L56 I72	A42-I52 HydrophobicContact CB-CB 4.43Å; A42-I52 HydrophobicContact CB-CG2 3.68Å; M43-I52 HydrophobicContact CG-CD1 4.09Å; M43-I52 HydrophobicContact CG-CG2 4.1Å; D48-I52 WeakPolarHBondContact O-CG1 3.33Å; D48-I52 PolarHBondContact O-N 2.78Å; I52-L54 VanDerWaalsContact C-N 3.31Å; I52-L54 PolarHBondContact O-N 2.85Å; I52-F55 WeakPolarHBondContact O-CB 3.34Å; I52-F55 PolarHBondContact O-N 3.39Å; I52-F55 VanDerWaalsContact O-N 3.08Å; I52-L56 HydrophobicContact CG2-CD1 3.79Å; I52-L56 WeakPolarHBondContact O-CD1 3.48Å; I52-L56 PolarHBondContact O-N 3.38Å; I52-I72 HydrophobicContact CB-CD1 3.89Å; I52-I72 HydrophobicContact CG2-CD1 3.27Å
53	A	98.6	Very high	97.5	Very high	16 Å²	16	69.7 Å²	69.7	13%	0.132	33%	0.329	C	S	.	.	H	α-helix	trans	-59.3	-41.1	-179.1	0	0	0	0	0	112.5	D49 K50 F55 L56 K57 C70 I72	D49-A53 VanDerWaalsContact O-CB 3.27Å; D49-A53 WeakPolarHBondContact O-CB 3.29Å; D49-A53 PolarHBondContact O-N 3.02Å; K50-A53 PolarHBondContact O-N 3.14Å; A53-F55 VanDerWaalsContact C-N 3.34Å; A53-F55 PolarHBondContact O-N 2.93Å; A53-L56 PolarHBondContact O-N 3.36Å; A53-K57 WeakPolarHBondContact O-CB 3.5Å; A53-K57 PolarHBondContact O-N 3.03Å; A53-C70 HydrophobicContact CB-CB 4.24Å; A53-C70 WeakPolarHBondContact O-CB 3.11Å; A53-I72 HydrophobicContact CB-CB 4.49Å; A53-I72 HydrophobicContact CB-CD1 4.07Å; A53-I72 HydrophobicContact CB-CG1 4.07Å
54	L	98.5	Very high	97.6	Very high	74 Å²	74	72 Å²	72	39%	0.387	34%	0.337	S	S	.	.	H	α-helix	trans	-62.7	-40.4	176.2	-177	61.5	0	0	0	112	K50 D51 I52 K58	K50-L54 VanDerWaalsContact O-CB 3.29Å; K50-L54 WeakPolarHBondContact O-CB 3.39Å; K50-L54 PolarHBondContact O-N 2.82Å; D51-L54 PolarHBondContact O-N 3.23Å; I52-L54 VanDerWaalsContact C-N 3.31Å; I52-L54 PolarHBondContact O-N 2.85Å; L54-K58 HydrophobicContact CD1-CD 4.3Å; L54-K58 HydrophobicContact CD1-CG 4.34Å; L54-K58 HydrophobicContact CG-CD 4.23Å; L54-K58 WeakPolarHBondContact O-CB 3.5Å; L54-K58 WeakPolarHBondContact O-CG 3.31Å; L54-K58 PolarHBondContact O-N 3.28Å
55	F	98.6	Very high	97.7	Very high	34 Å²	34	73.4 Å²	73.4	15%	0.149	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-50.5	177.4	-178.7	-87.4	0	0	0	111.5	T38 M41 A42 Y46 D51 I52 A53 K57 K58 E59	T38-F55 HydrophobicContact CG2-CD1 4.13Å; T38-F55 HydrophobicContact CG2-CE1 3.82Å; M41-F55 HydrophobicContact CG-CZ 4.45Å; M41-F55 HydrophobicContact SD-CE1 4.33Å; M41-F55 HydrophobicContact SD-CZ 3.93Å; A42-F55 HydrophobicContact CB-CB 4.21Å; A42-F55 HydrophobicContact CB-CD1 3.52Å; A42-F55 HydrophobicContact CB-CE1 4.15Å; A42-F55 HydrophobicContact CB-CG 4.08Å; Y46-F55 HydrophobicContact CD2-CB 4.35Å; Y46-F55 HydrophobicContact CE2-CB 3.93Å; Y46-F55 AromaticContact CE2-CD2 3.66Å; Y46-F55 HydrophobicContact CE2-CD2 3.66Å; Y46-F55 HydrophobicContact CE2-CE2 4.44Å; Y46-F55 AromaticContact CE2-CG 3.96Å; Y46-F55 HydrophobicContact CE2-CG 3.96Å; D51-F55 WeakPolarHBondContact O-CB 3.41Å; D51-F55 PolarHBondContact O-N 2.84Å; I52-F55 WeakPolarHBondContact O-CB 3.34Å; I52-F55 PolarHBondContact O-N 3.39Å; I52-F55 VanDerWaalsContact O-N 3.08Å; A53-F55 VanDerWaalsContact C-N 3.34Å; A53-F55 PolarHBondContact O-N 2.93Å; F55-K57 VanDerWaalsContact C-N 3.34Å; F55-K57 PolarHBondContact O-N 2.85Å; F55-K58 PolarHBondContact O-N 3.3Å; F55-E59 HydrophobicContact CD1-CG 4.28Å; F55-E59 HydrophobicContact CE1-CG 3.87Å; F55-E59 HydrophobicContact CE2-CG 4.42Å; F55-E59 HydrophobicContact CZ-CG 3.94Å; F55-E59 PolarHBondContact O-N 3.48Å
56	L	98.2	Very high	97.8	Very high	0 Å²	0	71 Å²	71	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.9	-47.4	178.8	-82.2	76.2	0	0	0	110.9	T38 A39 A42 I52 A53 K58 E59 F60 C70 I72 V97	T38-L56 HydrophobicContact CG2-CG 4.31Å; A39-L56 HydrophobicContact CB-CD1 4.49Å; A39-L56 HydrophobicContact CB-CD2 3.76Å; A39-L56 HydrophobicContact CB-CG 4.39Å; A42-L56 HydrophobicContact CB-CD1 3.46Å; A42-L56 VanDerWaalsContact CB-CD1 3.46Å; I52-L56 HydrophobicContact CG2-CD1 3.79Å; I52-L56 WeakPolarHBondContact O-CD1 3.48Å; I52-L56 PolarHBondContact O-N 3.38Å; A53-L56 PolarHBondContact O-N 3.36Å; L56-K58 PolarHBondContact O-N 2.96Å; L56-E59 PolarHBondContact O-N 3.37Å; L56-F60 WeakPolarHBondContact O-CB 3.34Å; L56-F60 PolarHBondContact O-N 3.44Å; L56-C70 HydrophobicContact CB-CB 4.44Å; L56-I72 HydrophobicContact CD1-CD1 4.24Å; L56-I72 HydrophobicContact CD2-CD1 4.41Å; L56-V97 HydrophobicContact CD2-CG1 3.71Å
57	K	98.6	Very high	97.8	Very high	63 Å²	63	70.3 Å²	70.3	27%	0.274	34%	0.341	S	S	.	.	H	α-helix	trans	-53.4	-53.5	177.1	-175.8	-158.8	-177.9	-65.4	0	111.2	A53 F55 E59 F60 D61 W68 C70	A53-K57 WeakPolarHBondContact O-CB 3.5Å; A53-K57 PolarHBondContact O-N 3.03Å; F55-K57 VanDerWaalsContact C-N 3.34Å; F55-K57 PolarHBondContact O-N 2.85Å; K57-E59 PolarHBondContact O-N 2.98Å; K57-F60 PolarHBondContact O-N 3.27Å; K57-D61 IonicContact NZ-OD1 3.72Å; K57-D61 IonicContact NZ-OD2 2.85Å; K57-D61 PolarHBondContact NZ-OD2 3.06Å; K57-D61 WeakPolarHBondContact O-CB 3.32Å; K57-D61 VanDerWaalsContact O-CG 3.3Å; K57-D61 PolarHBondContact O-N 3.42Å; K57-W68 VanDerWaalsContact CE-O 3.25Å; K57-W68 WeakPolarHBondContact CE-O 3.34Å; K57-W68 VanDerWaalsContact CG-O 3.3Å; K57-W68 WeakPolarHBondContact CG-O 3.38Å; K57-C70 HydrophobicContact CB-CB 4.43Å
58	K	98.5	Very high	98	Very high	124 Å²	124	63.1 Å²	63.1	54%	0.539	30%	0.302	S	S	.	.	H	α-helix	trans	-63.2	-41.9	-176.9	-77.7	179.9	175.3	-179.9	0	112.2	L54 F55 L56 F60 R62	L54-K58 HydrophobicContact CD1-CD 4.3Å; L54-K58 HydrophobicContact CD1-CG 4.34Å; L54-K58 HydrophobicContact CG-CD 4.23Å; L54-K58 WeakPolarHBondContact O-CB 3.5Å; L54-K58 WeakPolarHBondContact O-CG 3.31Å; L54-K58 PolarHBondContact O-N 3.28Å; F55-K58 PolarHBondContact O-N 3.3Å; L56-K58 PolarHBondContact O-N 2.96Å; K58-F60 VanDerWaalsContact C-N 3.35Å; K58-R62 VanDerWaalsContact O-CB 3.31Å; K58-R62 WeakPolarHBondContact O-CB 3.41Å; K58-R62 PolarHBondContact O-N 3.48Å
59	E	98.5	Very high	98.1	Very high	45 Å²	45	61.9 Å²	61.9	21%	0.21	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-40.2	177.6	-81.1	-60.3	109.4	0	0	111.8	T38 F55 L56 K57 R62 K63	T38-E59 HydrophobicContact CG2-CB 3.79Å; T38-E59 HydrophobicContact CG2-CG 4.12Å; F55-E59 HydrophobicContact CD1-CG 4.28Å; F55-E59 HydrophobicContact CE1-CG 3.87Å; F55-E59 HydrophobicContact CE2-CG 4.42Å; F55-E59 HydrophobicContact CZ-CG 3.94Å; F55-E59 PolarHBondContact O-N 3.48Å; L56-E59 PolarHBondContact O-N 3.37Å; K57-E59 PolarHBondContact O-N 2.98Å; E59-R62 PolarHBondContact O-N 3.08Å; E59-R62 IonicContact OE1-CZ 3.71Å; E59-R62 IonicContact OE1-NE 3.95Å; E59-R62 PolarHBondContact OE1-NE 2.96Å; E59-R62 IonicContact OE1-NH2 2.73Å; E59-R62 IonicContact OE2-CZ 3.12Å; E59-R62 IonicContact OE2-NE 3.58Å; E59-R62 IonicContact OE2-NH2 3.88Å; E59-R62 PolarHBondContact OE2-NH2 3.31Å; E59-K63 WeakPolarHBondContact O-CB 3Å; E59-K63 VanDerWaalsContact O-CG 3.32Å; E59-K63 WeakPolarHBondContact O-CG 3.29Å; E59-K63 PolarHBondContact O-N 3.44Å
60	F	98.5	Very high	98.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-73.1	-38.3	178.4	-91.7	-109.9	0	0	0	113.2	M31 A35 T38 L56 K57 K58 R62 K63 Y64 W68 L99	M31-F60 HydrophobicContact CG-CE1 4.12Å; A35-F60 HydrophobicContact CB-CE1 4.27Å; A35-F60 HydrophobicContact CB-CE2 4.27Å; A35-F60 HydrophobicContact CB-CZ 3.57Å; T38-F60 HydrophobicContact CG2-CE2 4.39Å; L56-F60 WeakPolarHBondContact O-CB 3.34Å; L56-F60 PolarHBondContact O-N 3.44Å; K57-F60 PolarHBondContact O-N 3.27Å; K58-F60 VanDerWaalsContact C-N 3.35Å; F60-R62 PolarHBondContact O-N 3.49Å; F60-K63 PolarHBondContact O-N 2.93Å; F60-Y64 HydrophobicContact CB-CD2 4.44Å; F60-Y64 AromaticContact CD1-CD2 3.49Å; F60-Y64 HydrophobicContact CD1-CD2 3.49Å; F60-Y64 VanDerWaalsContact CD1-CD2 3.49Å; F60-Y64 AromaticContact CD1-CE2 3.89Å; F60-Y64 HydrophobicContact CD1-CE2 3.89Å; F60-Y64 AromaticContact CE1-CD2 3.7Å; F60-Y64 HydrophobicContact CE1-CD2 3.7Å; F60-Y64 AromaticContact CE1-CE2 3.63Å; F60-Y64 HydrophobicContact CE1-CE2 3.63Å; F60-Y64 HydrophobicContact CE2-CE2 4.38Å; F60-Y64 AromaticContact CG-CD2 4Å; F60-Y64 HydrophobicContact CG-CD2 4Å; F60-Y64 HydrophobicContact CG-CE2 4.37Å; F60-Y64 HydrophobicContact CZ-CD2 4.33Å; F60-Y64 AromaticContact CZ-CE2 3.87Å; F60-Y64 HydrophobicContact CZ-CE2 3.87Å; F60-Y64 WeakPolarHBondContact O-CA 3.49Å; F60-Y64 WeakPolarHBondContact O-CB 3.47Å; F60-Y64 PolarHBondContact O-N 3.49Å; F60-W68 VanDerWaalsContact C-CD1 3.42Å; F60-W68 HydrophobicContact CB-CB 4.12Å; F60-W68 HydrophobicContact CB-CD2 3.69Å; F60-W68 HydrophobicContact CB-CE3 4.2Å; F60-W68 HydrophobicContact CB-CG 3.63Å; F60-W68 AromaticContact CD1-CD2 3.82Å; F60-W68 HydrophobicContact CD1-CD2 3.82Å; F60-W68 AromaticContact CD1-CE2 3.8Å; F60-W68 AromaticContact CD1-CE3 3.72Å; F60-W68 HydrophobicContact CD1-CE3 3.72Å; F60-W68 AromaticContact CD1-CH2 3.61Å; F60-W68 HydrophobicContact CD1-CH2 3.61Å; F60-W68 AromaticContact CD1-CZ2 3.71Å; F60-W68 HydrophobicContact CD1-CZ2 3.71Å; F60-W68 AromaticContact CD1-CZ3 3.62Å; F60-W68 HydrophobicContact CD1-CZ3 3.62Å; F60-W68 HydrophobicContact CE1-CH2 4.01Å; F60-W68 HydrophobicContact CE1-CZ2 4.4Å; F60-W68 HydrophobicContact CE1-CZ3 4.14Å; F60-W68 HydrophobicContact CG-CD2 4.23Å; F60-W68 HydrophobicContact CG-CE3 4.33Å; F60-W68 PolarHBondContact O-NE1 3.03Å; F60-L99 HydrophobicContact CD1-CD2 3.63Å; F60-L99 HydrophobicContact CD1-CG 4.32Å; F60-L99 HydrophobicContact CD2-CD2 3.88Å; F60-L99 HydrophobicContact CE1-CD2 3.55Å; F60-L99 HydrophobicContact CE2-CD2 3.82Å; F60-L99 HydrophobicContact CG-CD1 4.36Å; F60-L99 HydrophobicContact CG-CD2 3.81Å; F60-L99 HydrophobicContact CZ-CD2 3.67Å
61	D	98.4	Very high	98.2	Very high	26 Å²	26	55.9 Å²	55.9	14%	0.139	27%	0.27	C	S	.	.	H	α-helix	trans	-56.6	-42.4	169.3	-76.9	-24	0	0	0	111.4	K57 E65 P66 W68	K57-D61 IonicContact NZ-OD1 3.72Å; K57-D61 IonicContact NZ-OD2 2.85Å; K57-D61 PolarHBondContact NZ-OD2 3.06Å; K57-D61 WeakPolarHBondContact O-CB 3.32Å; K57-D61 VanDerWaalsContact O-CG 3.3Å; K57-D61 PolarHBondContact O-N 3.42Å; D61-E65 CarbonylContact O-C 3.55Å; D61-E65 VanDerWaalsContact O-CA 3.25Å; D61-E65 WeakPolarHBondContact O-CA 3.35Å; D61-E65 PolarHBondContact O-N 2.85Å; D61-P66 HydrophobicContact CB-CG 4.13Å; D61-P66 WeakPolarHBondContact O-CD 3.27Å; D61-P66 WeakPolarHBondContact OD1-CA 3.43Å; D61-W68 WeakPolarHBondContact OD1-CB 3.43Å; D61-W68 PolarHBondContact OD1-N 3.01Å
62	R	98.3	Very high	98.1	Very high	159 Å²	159	53.5 Å²	53.5	60%	0.6	26%	0.256	S	S	*	.	H	α-helix	trans	-69.9	-42.2	-179.5	-173	-173.3	65.6	72	-1.8	112.5	K58 E59 F60	K58-R62 VanDerWaalsContact O-CB 3.31Å; K58-R62 WeakPolarHBondContact O-CB 3.41Å; K58-R62 PolarHBondContact O-N 3.48Å; E59-R62 PolarHBondContact O-N 3.08Å; E59-R62 IonicContact OE1-CZ 3.71Å; E59-R62 IonicContact OE1-NE 3.95Å; E59-R62 PolarHBondContact OE1-NE 2.96Å; E59-R62 IonicContact OE1-NH2 2.73Å; E59-R62 IonicContact OE2-CZ 3.12Å; E59-R62 IonicContact OE2-NE 3.58Å; E59-R62 IonicContact OE2-NH2 3.88Å; E59-R62 PolarHBondContact OE2-NH2 3.31Å; F60-R62 PolarHBondContact O-N 3.49Å
63	K	98	Very high	98.1	Very high	75 Å²	75	53.9 Å²	53.9	33%	0.326	26%	0.261	S	S	.	.	H	α-helix	trans	-85	-34.5	-174.5	-71.3	176.5	179.4	175.1	0	113.8	D34 E59 F60	D34-K63 VanDerWaalsContact CG-NZ 3.32Å; D34-K63 IonicContact OD1-NZ 3.76Å; D34-K63 PolarHBondContact OD1-NZ 3.03Å; D34-K63 VanDerWaalsContact OD2-CD 3.25Å; D34-K63 WeakPolarHBondContact OD2-CD 3.17Å; D34-K63 IonicContact OD2-NZ 2.74Å; D34-K63 PolarHBondContact OD2-NZ 3.01Å; D34-K63 VanDerWaalsContact OD2-NZ 3.13Å; E59-K63 WeakPolarHBondContact O-CB 3Å; E59-K63 VanDerWaalsContact O-CG 3.32Å; E59-K63 WeakPolarHBondContact O-CG 3.29Å; E59-K63 PolarHBondContact O-N 3.44Å; F60-K63 PolarHBondContact O-N 2.93Å
64	Y	97.5	Very high	97.9	Very high	61 Å²	61	57.2 Å²	57.2	24%	0.239	28%	0.283	C	S	.	.	H	α-helix	trans	-128.1	20.7	-167.6	-56	-69.6	0	0	0	113.5	M31 D34 F60 W68 K101	M31-Y64 HydrophobicContact CE-CD1 3.59Å; M31-Y64 HydrophobicContact CE-CE1 3.76Å; M31-Y64 HydrophobicContact CE-CG 4.09Å; M31-Y64 HydrophobicContact CG-CE1 4.33Å; M31-Y64 HydrophobicContact CG-CE2 4.31Å; D34-Y64 WeakPolarHBondContact CB-OH 3.23Å; D34-Y64 VanDerWaalsContact OD2-CE2 3.29Å; D34-Y64 WeakPolarHBondContact OD2-CE2 3.5Å; D34-Y64 PolarHBondContact OD2-OH 3.15Å; F60-Y64 HydrophobicContact CB-CD2 4.44Å; F60-Y64 AromaticContact CD1-CD2 3.49Å; F60-Y64 HydrophobicContact CD1-CD2 3.49Å; F60-Y64 VanDerWaalsContact CD1-CD2 3.49Å; F60-Y64 AromaticContact CD1-CE2 3.89Å; F60-Y64 HydrophobicContact CD1-CE2 3.89Å; F60-Y64 AromaticContact CE1-CD2 3.7Å; F60-Y64 HydrophobicContact CE1-CD2 3.7Å; F60-Y64 AromaticContact CE1-CE2 3.63Å; F60-Y64 HydrophobicContact CE1-CE2 3.63Å; F60-Y64 HydrophobicContact CE2-CE2 4.38Å; F60-Y64 AromaticContact CG-CD2 4Å; F60-Y64 HydrophobicContact CG-CD2 4Å; F60-Y64 HydrophobicContact CG-CE2 4.37Å; F60-Y64 HydrophobicContact CZ-CD2 4.33Å; F60-Y64 AromaticContact CZ-CE2 3.87Å; F60-Y64 HydrophobicContact CZ-CE2 3.87Å; F60-Y64 WeakPolarHBondContact O-CA 3.49Å; F60-Y64 WeakPolarHBondContact O-CB 3.47Å; F60-Y64 PolarHBondContact O-N 3.49Å; Y64-W68 HydrophobicContact CD2-CZ2 4.35Å; Y64-W68 HydrophobicContact CG-CZ2 4.23Å; Y64-K101 PolarHBondContact O-NZ 2.82Å
65	E	96.7	Very high	97.7	Very high	144 Å²	144	63 Å²	63	67%	0.673	31%	0.305	S	S	*	.			trans	62.3	143.5	-177.1	-56	170.5	-177.7	0	0	114	D61 W68 K101	D61-E65 CarbonylContact O-C 3.55Å; D61-E65 VanDerWaalsContact O-CA 3.25Å; D61-E65 WeakPolarHBondContact O-CA 3.35Å; D61-E65 PolarHBondContact O-N 2.85Å; E65-W68 PolarHBondContact O-NE1 2.89Å; E65-K101 VanDerWaalsContact O-CE 3.25Å; E65-K101 WeakPolarHBondContact O-CE 3.46Å; E65-K101 PolarHBondContact O-NZ 2.85Å
66	P	97.5	Very high	97.5	Very high	82 Å²	82	64.2 Å²	64.2	53%	0.532	31%	0.31	S	S	.	.	S	Bend	trans	-59.6	159.5	174	-21.7	33.3	0	0	0	113.4	D61 K101	D61-P66 HydrophobicContact CB-CG 4.13Å; D61-P66 WeakPolarHBondContact O-CD 3.27Å; D61-P66 WeakPolarHBondContact OD1-CA 3.43Å; P66-K101 WeakPolarHBondContact O-CE 3.34Å; P66-K101 PolarHBondContact O-NZ 3.23Å
67	T	97.4	Very high	97.3	Very high	50 Å²	50	70.3 Å²	70.3	31%	0.307	35%	0.353	S	S	.	.			cis	-114.6	113.1	6.3	-55.5	0	0	0	0	111.5	K101 T102	T67-K101 WeakPolarHBondContact O-CA 3.23Å; T67-T102 PolarHBondContact O-N 3.06Å
68	W	98.5	Very high	97	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	152.1	173.7	-69.4	82.8	0	0	0	112.1	M27 M31 K57 F60 D61 Y64 E65 F86 L99 F100 K101	M27-W68 HydrophobicContact CE-CH2 4.39Å; M27-W68 HydrophobicContact CE-CZ3 4.39Å; M31-W68 HydrophobicContact SD-CH2 3.92Å; M31-W68 HydrophobicContact SD-CZ2 4.39Å; K57-W68 VanDerWaalsContact CE-O 3.25Å; K57-W68 WeakPolarHBondContact CE-O 3.34Å; K57-W68 VanDerWaalsContact CG-O 3.3Å; K57-W68 WeakPolarHBondContact CG-O 3.38Å; F60-W68 VanDerWaalsContact C-CD1 3.42Å; F60-W68 HydrophobicContact CB-CB 4.12Å; F60-W68 HydrophobicContact CB-CD2 3.69Å; F60-W68 HydrophobicContact CB-CE3 4.2Å; F60-W68 HydrophobicContact CB-CG 3.63Å; F60-W68 AromaticContact CD1-CD2 3.82Å; F60-W68 HydrophobicContact CD1-CD2 3.82Å; F60-W68 AromaticContact CD1-CE2 3.8Å; F60-W68 AromaticContact CD1-CE3 3.72Å; F60-W68 HydrophobicContact CD1-CE3 3.72Å; F60-W68 AromaticContact CD1-CH2 3.61Å; F60-W68 HydrophobicContact CD1-CH2 3.61Å; F60-W68 AromaticContact CD1-CZ2 3.71Å; F60-W68 HydrophobicContact CD1-CZ2 3.71Å; F60-W68 AromaticContact CD1-CZ3 3.62Å; F60-W68 HydrophobicContact CD1-CZ3 3.62Å; F60-W68 HydrophobicContact CE1-CH2 4.01Å; F60-W68 HydrophobicContact CE1-CZ2 4.4Å; F60-W68 HydrophobicContact CE1-CZ3 4.14Å; F60-W68 HydrophobicContact CG-CD2 4.23Å; F60-W68 HydrophobicContact CG-CE3 4.33Å; F60-W68 PolarHBondContact O-NE1 3.03Å; D61-W68 WeakPolarHBondContact OD1-CB 3.43Å; D61-W68 PolarHBondContact OD1-N 3.01Å; Y64-W68 HydrophobicContact CD2-CZ2 4.35Å; Y64-W68 HydrophobicContact CG-CZ2 4.23Å; E65-W68 PolarHBondContact O-NE1 2.89Å; W68-F86 HydrophobicContact CH2-CB 3.9Å; W68-F86 AromaticContact CH2-CD1 3.93Å; W68-F86 HydrophobicContact CH2-CD1 3.93Å; W68-F86 HydrophobicContact CH2-CG 4.41Å; W68-F86 HydrophobicContact CZ2-CB 4.34Å; W68-F86 AromaticContact CZ2-CD1 3.79Å; W68-F86 HydrophobicContact CZ2-CD1 3.79Å; W68-F86 HydrophobicContact CZ2-CG 4.49Å; W68-F86 HydrophobicContact CZ3-CB 4.44Å; W68-L99 HydrophobicContact CE3-CD1 3.85Å; W68-L99 HydrophobicContact CE3-CD2 4.49Å; W68-L99 HydrophobicContact CE3-CG 3.79Å; W68-L99 HydrophobicContact CZ3-CD1 4.5Å; W68-L99 HydrophobicContact CZ3-CD2 4.41Å; W68-L99 HydrophobicContact CZ3-CG 3.94Å; W68-F100 WeakPolarHBondContact CA-O 3.41Å; W68-K101 HydrophobicContact CD2-CB 4.07Å; W68-K101 HydrophobicContact CD2-CG 4.48Å; W68-K101 HydrophobicContact CE3-CB 4.22Å; W68-K101 HydrophobicContact CH2-CB 4.45Å; W68-K101 HydrophobicContact CZ2-CB 4.29Å; W68-K101 HydrophobicContact CZ2-CD 4.32Å; W68-K101 HydrophobicContact CZ3-CB 4.41Å
69	H	98.3	Very high	96.6	Very high	65 Å²	65	72.5 Å²	72.5	30%	0.301	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.2	175.7	-57.4	-93.6	0	0	0	108.6	L99 F100 T102	H69-L99 WeakPolarHBondContact O-CA 3.25Å; H69-F100 HydrophobicContact CB-CD1 4.18Å; H69-F100 HydrophobicContact CB-CD2 4.26Å; H69-F100 HydrophobicContact CB-CE1 3.7Å; H69-F100 HydrophobicContact CB-CE2 3.79Å; H69-F100 HydrophobicContact CB-CG 4.45Å; H69-F100 HydrophobicContact CB-CZ 3.48Å; H69-F100 VanDerWaalsContact CB-CZ 3.48Å; H69-F100 AromaticContact CD2-CE2 3.89Å; H69-F100 AromaticContact CG-CE2 3.94Å; H69-F100 AromaticContact CG-CZ 3.99Å; H69-F100 PolarHBondContact N-O 2.96Å; H69-F100 PolarHBondContact O-N 2.99Å; H69-T102 VanDerWaalsContact CD2-CG2 3.46Å; H69-T102 WeakPolarHBondContact CD2-CG2 3.37Å; H69-T102 WeakPolarHBondContact NE2-CG2 3.46Å; H69-T102 PolarHBondContact NE2-OG1 2.84Å
70	C	98.4	Very high	96.4	Very high	22 Å²	22	72.5 Å²	72.5	15%	0.149	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	132.1	179.3	-172.1	0	0	0	0	109.9	A53 L56 K57 L98 L99	A53-C70 HydrophobicContact CB-CB 4.24Å; A53-C70 WeakPolarHBondContact O-CB 3.11Å; L56-C70 HydrophobicContact CB-CB 4.44Å; K57-C70 HydrophobicContact CB-CB 4.43Å; C70-L98 CarbonylContact C-O 3.59Å; C70-L98 WeakPolarHBondContact CA-O 3.45Å; C70-L99 HydrophobicContact CB-CD1 4.06Å
71	I	97.9	Very high	96.2	Very high	63 Å²	63	78.4 Å²	78.4	32%	0.323	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.3	172.2	-62	168.6	0	0	0	107.1	F76 L98 F100	I71-F76 HydrophobicContact CG2-CD1 4.37Å; I71-F76 HydrophobicContact CG2-CD2 3.94Å; I71-F76 HydrophobicContact CG2-CE1 4.49Å; I71-F76 HydrophobicContact CG2-CE2 4.09Å; I71-F76 HydrophobicContact CG2-CG 4.09Å; I71-F76 HydrophobicContact CG2-CZ 4.36Å; I71-L98 HydrophobicContact CB-CB 4.32Å; I71-L98 HydrophobicContact CD1-CD2 4.17Å; I71-L98 PolarHBondContact N-O 3.39Å; I71-L98 PolarHBondContact O-N 2.82Å; I71-F100 HydrophobicContact CD1-CE1 4.35Å
72	I	97.5	Very high	95.9	Very high	20 Å²	20	79.3 Å²	79.3	10%	0.103	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.2	176.9	-59.4	-174.1	0	0	0	108.5	D49 I52 A53 L56 R95 G96 V97	D49-I72 HydrophobicContact CB-CG2 4.33Å; I52-I72 HydrophobicContact CB-CD1 3.89Å; I52-I72 HydrophobicContact CG2-CD1 3.27Å; A53-I72 HydrophobicContact CB-CB 4.49Å; A53-I72 HydrophobicContact CB-CD1 4.07Å; A53-I72 HydrophobicContact CB-CG1 4.07Å; L56-I72 HydrophobicContact CD1-CD1 4.24Å; L56-I72 HydrophobicContact CD2-CD1 4.41Å; I72-R95 HydrophobicContact CG2-CB 4.17Å; I72-R95 HydrophobicContact CG2-CG 4.33Å; I72-G96 WeakPolarHBondContact CA-O 3.44Å; I72-V97 HydrophobicContact CD1-CG1 4.46Å; I72-V97 HydrophobicContact CD1-CG2 4.34Å; I72-V97 HydrophobicContact CG1-CG1 4.25Å; I72-V97 HydrophobicContact CG1-CG2 4.22Å
73	G	97	Very high	95.8	Very high	9 Å²	9	74.6 Å²	74.6	9%	0.093	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	164.5	170.7	0	0	0	0	0	112.8	G96	G73-G96 PolarHBondContact N-O 3.04Å; G73-G96 VanDerWaalsContact N-O 3.14Å; G73-G96 PolarHBondContact O-N 3.23Å
74	S	95.2	Very high	95.5	Very high	86 Å²	86	78.5 Å²	78.5	60%	0.601	41%	0.41	S	S	*	.	S	Bend	trans	-77.3	-23.6	176.4	58.4	0	0	0	0	113.2
75	K	93.6	Very high	95.3	Very high	195 Å²	195	82.4 Å²	82.4	85%	0.848	43%	0.43	S	S	*	.	S	Bend	trans	-144.3	107.5	-179.1	-65.5	179.5	-175.2	175.3	0	110.7
76	F	95.1	Very high	95.3	Very high	60 Å²	60	78.2 Å²	78.2	26%	0.263	41%	0.409	S	S	.	.			trans	-153.5	159.4	169.9	67.1	-86.6	0	0	0	110.7	I71 Y89 G96 L98	I71-F76 HydrophobicContact CG2-CD1 4.37Å; I71-F76 HydrophobicContact CG2-CD2 3.94Å; I71-F76 HydrophobicContact CG2-CE1 4.49Å; I71-F76 HydrophobicContact CG2-CE2 4.09Å; I71-F76 HydrophobicContact CG2-CG 4.09Å; I71-F76 HydrophobicContact CG2-CZ 4.36Å; F76-Y89 HydrophobicContact CZ-CD2 4.3Å; F76-Y89 AromaticContact CZ-CE2 3.82Å; F76-Y89 HydrophobicContact CZ-CE2 3.82Å; F76-G96 WeakPolarHBondContact CE1-O 3.25Å; F76-L98 HydrophobicContact CE2-CB 4.12Å; F76-L98 HydrophobicContact CE2-CD2 4.4Å; F76-L98 HydrophobicContact CZ-CB 4.16Å
77	S	92.9	Very high	95.3	Very high	128 Å²	128	74.4 Å²	74.4	90%	0.895	39%	0.385	S	S	*	.			trans	-126.1	143.8	167	-63.5	0	0	0	0	107.7
78	S	92.2	Very high	95.3	Very high	42 Å²	42	72 Å²	72	29%	0.294	37%	0.37	S	S	.	.			trans	-137.2	141	-175.9	61.8	0	0	0	0	111.4	L98	S78-L98 VanDerWaalsContact OG-CD2 3.26Å; S78-L98 WeakPolarHBondContact OG-CD2 3.07Å
79	Y	91.9	Very high	95.2	Very high	191 Å²	191	76.1 Å²	76.1	75%	0.749	39%	0.386	S	S	*	.			trans	-130.7	96.1	168.1	-163.7	-83.6	0	0	0	108.2
80	V	92.8	Very high	95	Very high	45 Å²	45	73 Å²	73	27%	0.273	37%	0.372	S	S	.	.			trans	-118.2	152.4	-171.2	-59.8	0	0	0	0	111.6	L98 F100	V80-L98 HydrophobicContact CG2-CD2 4.46Å; V80-F100 HydrophobicContact CB-CE1 4.48Å; V80-F100 HydrophobicContact CB-CE2 4.12Å; V80-F100 HydrophobicContact CB-CZ 4.05Å; V80-F100 HydrophobicContact CG1-CE1 4.11Å; V80-F100 HydrophobicContact CG1-CE2 4.35Å; V80-F100 HydrophobicContact CG1-CZ 3.79Å; V80-F100 HydrophobicContact CG2-CD1 4.42Å; V80-F100 HydrophobicContact CG2-CD2 4.45Å; V80-F100 HydrophobicContact CG2-CE1 4.38Å; V80-F100 HydrophobicContact CG2-CE2 4.41Å; V80-F100 HydrophobicContact CG2-CG 4.45Å; V80-F100 HydrophobicContact CG2-CZ 4.38Å
81	T	94.1	Very high	94.9	Very high	124 Å²	124	73.3 Å²	73.3	76%	0.761	38%	0.375	S	S	*	.			trans	-106.2	128.5	166.2	-60.4	0	0	0	0	108
82	H	93.5	Very high	94.7	Very high	45 Å²	45	70.3 Å²	70.3	21%	0.208	36%	0.359	C	S	.	.			trans	-135.1	161.4	-175.8	62.2	-88.8	0	0	0	111.2	E26 C87 F100 K101	E26-H82 IonicContact OE2-CD2 3.52Å; E26-H82 IonicContact OE2-CE1 3.08Å; E26-H82 IonicContact OE2-NE2 2.69Å; E26-H82 PolarHBondContact OE2-NE2 3.02Å; H82-C87 HydrophobicContact CB-CB 4.42Å; H82-C87 WeakPolarHBondContact CD2-CB 3.29Å; H82-C87 WeakPolarHBondContact NE2-CB 3.35Å; H82-F100 HydrophobicContact CB-CB 3.93Å; H82-F100 HydrophobicContact CB-CD2 3.89Å; H82-F100 HydrophobicContact CB-CG 4.29Å; H82-K101 CarbonylContact C-O 2.75Å; H82-K101 WeakPolarHBondContact CA-O 3.46Å; H82-K101 WeakPolarHBondContact CB-O 3.22Å
83	I	94.6	Very high	94.4	Very high	59 Å²	59	74.5 Å²	74.5	30%	0.303	38%	0.378	S	S	.	.			trans	-70.3	131.2	172.1	-58.2	-178.5	0	0	0	108.9	F86 K101 T102 V103	I83-F86 HydrophobicContact CB-CD2 4.11Å; I83-F86 HydrophobicContact CG2-CD2 3.69Å; I83-F86 HydrophobicContact CG2-CE2 4.11Å; I83-F86 PolarHBondContact O-N 2.93Å; I83-K101 HydrophobicContact CD1-CD 4.4Å; I83-K101 HydrophobicContact CD1-CG 4.19Å; I83-K101 PolarHBondContact N-O 2.88Å; I83-T102 VanDerWaalsContact CD1-C 3.49Å; I83-T102 WeakPolarHBondContact CD1-O 3.36Å; I83-V103 HydrophobicContact CD1-CG1 4.35Å; I83-V103 HydrophobicContact CG1-CG1 4.43Å
84	K	92.5	Very high	94.2	Very high	158 Å²	158	79.3 Å²	79.3	69%	0.687	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	142.2	175.8	-68.4	-174.5	179.4	179.1	0	111	F86	K84-F86 VanDerWaalsContact O-CD2 3.22Å; K84-F86 WeakPolarHBondContact O-CD2 3.26Å; K84-F86 PolarHBondContact O-N 2.86Å
85	Q	94.4	Very high	94.2	Very high	142 Å²	142	77.5 Å²	77.5	66%	0.664	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	10	179	-48.7	177.3	13.2	0	0	115.8	E26 M27	E26-Q85 CarbonylContact O-C 3.42Å; E26-Q85 WeakPolarHBondContact O-CA 3.39Å; M27-Q85 WeakPolarHBondContact CA-O 3.49Å; M27-Q85 WeakPolarHBondContact CB-O 3.33Å
86	F	96.7	Very high	94.3	Very high	56 Å²	56	68.6 Å²	68.6	25%	0.246	35%	0.345	C	S	.	.			trans	-131.6	51.1	175.5	-59.4	-80.8	0	0	0	112.2	E26 M31 W68 I83 K84 F100 K101	E26-F86 PolarHBondContact O-N 2.91Å; M31-F86 HydrophobicContact CE-CD1 3.97Å; M31-F86 HydrophobicContact CE-CE1 3.86Å; M31-F86 HydrophobicContact SD-CD1 4.07Å; W68-F86 HydrophobicContact CH2-CB 3.9Å; W68-F86 AromaticContact CH2-CD1 3.93Å; W68-F86 HydrophobicContact CH2-CD1 3.93Å; W68-F86 HydrophobicContact CH2-CG 4.41Å; W68-F86 HydrophobicContact CZ2-CB 4.34Å; W68-F86 AromaticContact CZ2-CD1 3.79Å; W68-F86 HydrophobicContact CZ2-CD1 3.79Å; W68-F86 HydrophobicContact CZ2-CG 4.49Å; W68-F86 HydrophobicContact CZ3-CB 4.44Å; I83-F86 HydrophobicContact CB-CD2 4.11Å; I83-F86 HydrophobicContact CG2-CD2 3.69Å; I83-F86 HydrophobicContact CG2-CE2 4.11Å; I83-F86 PolarHBondContact O-N 2.93Å; K84-F86 VanDerWaalsContact O-CD2 3.22Å; K84-F86 WeakPolarHBondContact O-CD2 3.26Å; K84-F86 PolarHBondContact O-N 2.86Å; F86-F100 CarbonylContact O-C 3.57Å; F86-F100 VanDerWaalsContact O-CA 3.23Å; F86-F100 WeakPolarHBondContact O-CA 3.23Å; F86-K101 HydrophobicContact CB-CB 3.53Å; F86-K101 HydrophobicContact CB-CD 4.43Å; F86-K101 HydrophobicContact CD1-CD 4.32Å; F86-K101 HydrophobicContact CG-CB 4.19Å; F86-K101 HydrophobicContact CG-CD 4.18Å; F86-K101 PolarHBondContact O-N 2.88Å
87	C	96.6	Very high	94.5	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.02	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	135.9	176.5	-175.9	0	0	0	0	112.4	Y24 E26 H82 L99 F100	Y24-C87 HydrophobicContact CE1-CB 4.14Å; E26-C87 CarbonylContact C-O 3.58Å; E26-C87 PolarHBondContact N-O 2.95Å; E26-C87 PolarHBondContact O-N 3Å; H82-C87 HydrophobicContact CB-CB 4.42Å; H82-C87 WeakPolarHBondContact CD2-CB 3.29Å; H82-C87 WeakPolarHBondContact NE2-CB 3.35Å; C87-L99 WeakPolarHBondContact CA-O 3.48Å; C87-F100 HydrophobicContact CB-CB 4.02Å
88	I	96.4	Very high	94.7	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	139.1	175.5	-166.1	178.7	0	0	0	110.1	I22 Y24 V25 M27 Q32 A35 F90 L99	I22-I88 HydrophobicContact CD1-CD1 3.88Å; I22-I88 HydrophobicContact CD1-CG1 4.47Å; Y24-I88 WeakPolarHBondContact O-CA 3.25Å; V25-I88 HydrophobicContact CB-CG1 4.33Å; V25-I88 HydrophobicContact CG2-CB 4.48Å; V25-I88 HydrophobicContact CG2-CD1 4.33Å; V25-I88 HydrophobicContact CG2-CG1 4.04Å; M27-I88 HydrophobicContact CE-CB 3.57Å; M27-I88 HydrophobicContact CE-CG2 3.51Å; M27-I88 HydrophobicContact CG-CB 4.42Å; M27-I88 HydrophobicContact SD-CB 3.73Å; M27-I88 HydrophobicContact SD-CD1 3.98Å; M27-I88 HydrophobicContact SD-CG1 4.34Å; M27-I88 HydrophobicContact SD-CG2 3.91Å; Q32-I88 HydrophobicContact CB-CD1 4.15Å; Q32-I88 HydrophobicContact CG-CD1 4.06Å; A35-I88 HydrophobicContact CB-CD1 4.33Å; A35-I88 HydrophobicContact CB-CG2 4.12Å; I88-F90 HydrophobicContact CD1-CD1 3.9Å; I88-F90 HydrophobicContact CD1-CE1 4.3Å; I88-F90 HydrophobicContact CG1-CD1 3.95Å; I88-F90 HydrophobicContact CG2-CD1 4.27Å; I88-F90 HydrophobicContact CG2-CE1 4.17Å; I88-L99 HydrophobicContact CG2-CB 3.92Å; I88-L99 HydrophobicContact CG2-CD2 4.38Å; I88-L99 PolarHBondContact N-O 2.82Å; I88-L99 PolarHBondContact O-N 2.95Å
89	Y	96.8	Very high	95	Very high	85 Å²	85	58 Å²	58	33%	0.333	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.7	168.5	170.2	-131	0	0	0	109.2	K23 Y24 F76 V97 L98	K23-Y89 HydrophobicContact CB-CD1 3.43Å; K23-Y89 VanDerWaalsContact CB-CD1 3.43Å; K23-Y89 HydrophobicContact CB-CE1 3.59Å; K23-Y89 HydrophobicContact CB-CG 4.21Å; K23-Y89 HydrophobicContact CG-CD1 4.14Å; K23-Y89 HydrophobicContact CG-CE1 3.85Å; K23-Y89 PolarHBondContact N-O 3.03Å; Y24-Y89 PolarHBondContact N-O 3.22Å; Y24-Y89 PolarHBondContact O-N 3.4Å; F76-Y89 HydrophobicContact CZ-CD2 4.3Å; F76-Y89 AromaticContact CZ-CE2 3.82Å; F76-Y89 HydrophobicContact CZ-CE2 3.82Å; Y89-V97 WeakPolarHBondContact CA-O 3.3Å; Y89-V97 WeakPolarHBondContact CD2-O 3.35Å; Y89-L98 HydrophobicContact CD2-CB 4.33Å
90	F	95.7	Very high	95.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	157.3	178.5	61.5	-85.2	0	0	0	111.3	A20 V21 I22 A35 V36 A39 I88 L92 V97	A20-F90 HydrophobicContact CB-CD2 4.11Å; V21-F90 CarbonylContact O-C 3.57Å; V21-F90 VanDerWaalsContact O-CA 3.27Å; V21-F90 WeakPolarHBondContact O-CA 3.4Å; V21-F90 WeakPolarHBondContact O-CB 3.42Å; I22-F90 HydrophobicContact CD1-CB 3.49Å; I22-F90 VanDerWaalsContact CD1-CB 3.49Å; I22-F90 HydrophobicContact CD1-CD1 4.37Å; I22-F90 HydrophobicContact CD1-CG 4.03Å; A35-F90 HydrophobicContact CB-CE1 4.43Å; V36-F90 HydrophobicContact CG2-CD2 4.28Å; V36-F90 HydrophobicContact CG2-CE2 4.17Å; V36-F90 HydrophobicContact CG2-CG 4.49Å; V36-F90 HydrophobicContact CG2-CZ 4.27Å; A39-F90 HydrophobicContact CB-CE2 3.95Å; A39-F90 HydrophobicContact CB-CZ 3.67Å; I88-F90 HydrophobicContact CD1-CD1 3.9Å; I88-F90 HydrophobicContact CD1-CE1 4.3Å; I88-F90 HydrophobicContact CG1-CD1 3.95Å; I88-F90 HydrophobicContact CG2-CD1 4.27Å; I88-F90 HydrophobicContact CG2-CE1 4.17Å; F90-L92 HydrophobicContact CD2-CB 4.21Å; F90-L92 HydrophobicContact CE2-CB 4.07Å; F90-L92 HydrophobicContact CE2-CD2 4.38Å; F90-V97 HydrophobicContact CD1-CB 4.33Å; F90-V97 HydrophobicContact CD2-CB 4.3Å; F90-V97 HydrophobicContact CE1-CB 3.95Å; F90-V97 HydrophobicContact CE1-CG1 3.83Å; F90-V97 HydrophobicContact CE2-CB 3.9Å; F90-V97 HydrophobicContact CE2-CG1 4.35Å; F90-V97 HydrophobicContact CE2-CG2 4.01Å; F90-V97 HydrophobicContact CZ-CB 3.73Å; F90-V97 HydrophobicContact CZ-CG1 3.69Å; F90-V97 HydrophobicContact CZ-CG2 4.18Å; F90-V97 PolarHBondContact N-O 2.57Å; F90-V97 PolarHBondContact O-N 3.24Å
91	S	95.4	Very high	95.6	Very high	29 Å²	29	48.4 Å²	48.4	20%	0.203	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	136.2	167.1	58.3	0	0	0	0	110	A20 V21 R95	A20-S91 CarbonylContact C-O 3.49Å; A20-S91 WeakPolarHBondContact CA-O 3.35Å; V21-S91 WeakPolarHBondContact CB-OG 3.42Å; V21-S91 PolarHBondContact N-O 3.23Å; V21-S91 PolarHBondContact O-N 3.38Å; S91-R95 CarbonylContact C-O 3.54Å; S91-R95 VanDerWaalsContact CA-O 3.32Å; S91-R95 WeakPolarHBondContact CA-O 3.45Å
92	L	94.5	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	116.8	171.7	-170	61.6	0	0	0	107.3	R18 A20 A39 A40 M43 F90 D94 R95	R18-L92 HydrophobicContact CB-CD1 3.66Å; R18-L92 HydrophobicContact CB-CG 4.35Å; A20-L92 HydrophobicContact CB-CD1 3.89Å; A39-L92 HydrophobicContact CB-CD2 3.92Å; A40-L92 HydrophobicContact CB-CD2 4.17Å; M43-L92 HydrophobicContact CE-CB 4.09Å; M43-L92 HydrophobicContact CE-CD2 4.06Å; M43-L92 HydrophobicContact CE-CG 4.35Å; M43-L92 HydrophobicContact SD-CB 4.23Å; M43-L92 HydrophobicContact SD-CD2 3.58Å; M43-L92 VanDerWaalsContact SD-CD2 3.58Å; M43-L92 HydrophobicContact SD-CG 3.86Å; F90-L92 HydrophobicContact CD2-CB 4.21Å; F90-L92 HydrophobicContact CE2-CB 4.07Å; F90-L92 HydrophobicContact CE2-CD2 4.38Å; L92-D94 PolarHBondContact O-N 3.23Å; L92-R95 PolarHBondContact N-O 3.39Å; L92-R95 PolarHBondContact O-N 2.73Å; L92-R95 VanDerWaalsContact O-N 3.12Å
93	E	90.6	Very high	95.4	Very high	108 Å²	108	50.3 Å²	50.3	51%	0.505	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	-120.1	-168.4	-57.5	178.6	165.9	0	0	111.8	R18	R18-E93 WeakPolarHBondContact CD-OE1 3.31Å; R18-E93 HydrophobicContact CG-CG 4.27Å; R18-E93 WeakPolarHBondContact CG-OE1 3.32Å; R18-E93 IonicContact CZ-OE1 3Å; R18-E93 IonicContact NE-OE1 2.67Å; R18-E93 PolarHBondContact NE-OE1 3.29Å; R18-E93 IonicContact NE-OE2 2.72Å
94	D	92.3	Very high	95.5	Very high	109 Å²	109	49.9 Å²	49.9	58%	0.583	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	2.7	-179.6	68.7	-32.3	0	0	0	113.7	L92	L92-D94 PolarHBondContact O-N 3.23Å
95	R	95.1	Very high	95.6	Very high	48 Å²	48	44.2 Å²	44.2	18%	0.181	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.2	-176.3	-68.8	172.4	176.5	101.9	-15	111.8	M43 N47 D49 I72 S91 L92	M43-R95 HydrophobicContact CE-CB 4.02Å; N47-R95 PolarHBondContact O-NH2 2.72Å; D49-R95 IonicContact OD1-CZ 3.56Å; D49-R95 IonicContact OD1-NE 3.13Å; D49-R95 PolarHBondContact OD1-NE 2.67Å; D49-R95 IonicContact OD1-NH2 3.21Å; D49-R95 PolarHBondContact OD1-NH2 2.98Å; I72-R95 HydrophobicContact CG2-CB 4.17Å; I72-R95 HydrophobicContact CG2-CG 4.33Å; S91-R95 CarbonylContact C-O 3.54Å; S91-R95 VanDerWaalsContact CA-O 3.32Å; S91-R95 WeakPolarHBondContact CA-O 3.45Å; L92-R95 PolarHBondContact N-O 3.39Å; L92-R95 PolarHBondContact O-N 2.73Å; L92-R95 VanDerWaalsContact O-N 3.12Å
96	G	96.7	Very high	95.7	Very high	8 Å²	8	38.7 Å²	38.7	8%	0.082	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	138.7	161.4	0	0	0	0	0	110.4	I72 G73 F76	I72-G96 WeakPolarHBondContact CA-O 3.44Å; G73-G96 PolarHBondContact N-O 3.04Å; G73-G96 VanDerWaalsContact N-O 3.14Å; G73-G96 PolarHBondContact O-N 3.23Å; F76-G96 WeakPolarHBondContact CE1-O 3.25Å
97	V	97.8	Very high	95.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	114.7	176.2	-178.3	0	0	0	0	108.4	M43 L56 I72 Y89 F90	M43-V97 HydrophobicContact CE-CG2 3.97Å; L56-V97 HydrophobicContact CD2-CG1 3.71Å; I72-V97 HydrophobicContact CD1-CG1 4.46Å; I72-V97 HydrophobicContact CD1-CG2 4.34Å; I72-V97 HydrophobicContact CG1-CG1 4.25Å; I72-V97 HydrophobicContact CG1-CG2 4.22Å; Y89-V97 WeakPolarHBondContact CA-O 3.3Å; Y89-V97 WeakPolarHBondContact CD2-O 3.35Å; F90-V97 HydrophobicContact CD1-CB 4.33Å; F90-V97 HydrophobicContact CD2-CB 4.3Å; F90-V97 HydrophobicContact CE1-CB 3.95Å; F90-V97 HydrophobicContact CE1-CG1 3.83Å; F90-V97 HydrophobicContact CE2-CB 3.9Å; F90-V97 HydrophobicContact CE2-CG1 4.35Å; F90-V97 HydrophobicContact CE2-CG2 4.01Å; F90-V97 HydrophobicContact CZ-CB 3.73Å; F90-V97 HydrophobicContact CZ-CG1 3.69Å; F90-V97 HydrophobicContact CZ-CG2 4.18Å; F90-V97 PolarHBondContact N-O 2.57Å; F90-V97 PolarHBondContact O-N 3.24Å
98	L	97.9	Very high	95.6	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.7	171.1	169.9	61.7	0	0	0	108.7	C70 I71 F76 S78 V80 Y89 F100	C70-L98 CarbonylContact C-O 3.59Å; C70-L98 WeakPolarHBondContact CA-O 3.45Å; I71-L98 HydrophobicContact CB-CB 4.32Å; I71-L98 HydrophobicContact CD1-CD2 4.17Å; I71-L98 PolarHBondContact N-O 3.39Å; I71-L98 PolarHBondContact O-N 2.82Å; F76-L98 HydrophobicContact CE2-CB 4.12Å; F76-L98 HydrophobicContact CE2-CD2 4.4Å; F76-L98 HydrophobicContact CZ-CB 4.16Å; S78-L98 VanDerWaalsContact OG-CD2 3.26Å; S78-L98 WeakPolarHBondContact OG-CD2 3.07Å; V80-L98 HydrophobicContact CG2-CD2 4.46Å; Y89-L98 HydrophobicContact CD2-CB 4.33Å; L98-F100 HydrophobicContact CD1-CD1 4.17Å; L98-F100 HydrophobicContact CD2-CD1 4.35Å; L98-F100 HydrophobicContact CD2-CE1 4.31Å; L98-F100 HydrophobicContact CG-CD1 3.88Å; L98-F100 HydrophobicContact CG-CE1 4.22Å
99	L	98.5	Very high	95.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.7	-178.3	177.7	68.3	0	0	0	109.1	A35 F60 W68 H69 C70 C87 I88	A35-L99 HydrophobicContact CB-CD2 4.03Å; F60-L99 HydrophobicContact CD1-CD2 3.63Å; F60-L99 HydrophobicContact CD1-CG 4.32Å; F60-L99 HydrophobicContact CD2-CD2 3.88Å; F60-L99 HydrophobicContact CE1-CD2 3.55Å; F60-L99 HydrophobicContact CE2-CD2 3.82Å; F60-L99 HydrophobicContact CG-CD1 4.36Å; F60-L99 HydrophobicContact CG-CD2 3.81Å; F60-L99 HydrophobicContact CZ-CD2 3.67Å; W68-L99 HydrophobicContact CE3-CD1 3.85Å; W68-L99 HydrophobicContact CE3-CD2 4.49Å; W68-L99 HydrophobicContact CE3-CG 3.79Å; W68-L99 HydrophobicContact CZ3-CD1 4.5Å; W68-L99 HydrophobicContact CZ3-CD2 4.41Å; W68-L99 HydrophobicContact CZ3-CG 3.94Å; H69-L99 WeakPolarHBondContact O-CA 3.25Å; C70-L99 HydrophobicContact CB-CD1 4.06Å; C87-L99 WeakPolarHBondContact CA-O 3.48Å; I88-L99 HydrophobicContact CG2-CB 3.92Å; I88-L99 HydrophobicContact CG2-CD2 4.38Å; I88-L99 PolarHBondContact N-O 2.82Å; I88-L99 PolarHBondContact O-N 2.95Å
100	F	98.2	Very high	95.4	Very high	16 Å²	16	39.5 Å²	39.5	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	153.6	-175.8	65.4	-81.9	0	0	0	113.2	W68 H69 I71 V80 H82 F86 C87 L98 T102	W68-F100 WeakPolarHBondContact CA-O 3.41Å; H69-F100 HydrophobicContact CB-CD1 4.18Å; H69-F100 HydrophobicContact CB-CD2 4.26Å; H69-F100 HydrophobicContact CB-CE1 3.7Å; H69-F100 HydrophobicContact CB-CE2 3.79Å; H69-F100 HydrophobicContact CB-CG 4.45Å; H69-F100 HydrophobicContact CB-CZ 3.48Å; H69-F100 VanDerWaalsContact CB-CZ 3.48Å; H69-F100 AromaticContact CD2-CE2 3.89Å; H69-F100 AromaticContact CG-CE2 3.94Å; H69-F100 AromaticContact CG-CZ 3.99Å; H69-F100 PolarHBondContact N-O 2.96Å; H69-F100 PolarHBondContact O-N 2.99Å; I71-F100 HydrophobicContact CD1-CE1 4.35Å; V80-F100 HydrophobicContact CB-CE1 4.48Å; V80-F100 HydrophobicContact CB-CE2 4.12Å; V80-F100 HydrophobicContact CB-CZ 4.05Å; V80-F100 HydrophobicContact CG1-CE1 4.11Å; V80-F100 HydrophobicContact CG1-CE2 4.35Å; V80-F100 HydrophobicContact CG1-CZ 3.79Å; V80-F100 HydrophobicContact CG2-CD1 4.42Å; V80-F100 HydrophobicContact CG2-CD2 4.45Å; V80-F100 HydrophobicContact CG2-CE1 4.38Å; V80-F100 HydrophobicContact CG2-CE2 4.41Å; V80-F100 HydrophobicContact CG2-CG 4.45Å; V80-F100 HydrophobicContact CG2-CZ 4.38Å; H82-F100 HydrophobicContact CB-CB 3.93Å; H82-F100 HydrophobicContact CB-CD2 3.89Å; H82-F100 HydrophobicContact CB-CG 4.29Å; F86-F100 CarbonylContact O-C 3.57Å; F86-F100 VanDerWaalsContact O-CA 3.23Å; F86-F100 WeakPolarHBondContact O-CA 3.23Å; C87-F100 HydrophobicContact CB-CB 4.02Å; L98-F100 HydrophobicContact CD1-CD1 4.17Å; L98-F100 HydrophobicContact CD2-CD1 4.35Å; L98-F100 HydrophobicContact CD2-CE1 4.31Å; L98-F100 HydrophobicContact CG-CD1 3.88Å; L98-F100 HydrophobicContact CG-CE1 4.22Å; F100-T102 HydrophobicContact CD2-CG2 4.01Å; F100-T102 HydrophobicContact CE2-CG2 3.77Å
101	K	98.2	Very high	95.4	Very high	19 Å²	19	42.5 Å²	42.5	8%	0.083	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	141.9	175.7	-166	174.8	-179.7	164.6	0	111.6	Y64 E65 P66 T67 W68 H82 I83 F86	Y64-K101 PolarHBondContact O-NZ 2.82Å; E65-K101 VanDerWaalsContact O-CE 3.25Å; E65-K101 WeakPolarHBondContact O-CE 3.46Å; E65-K101 PolarHBondContact O-NZ 2.85Å; P66-K101 WeakPolarHBondContact O-CE 3.34Å; P66-K101 PolarHBondContact O-NZ 3.23Å; T67-K101 WeakPolarHBondContact O-CA 3.23Å; W68-K101 HydrophobicContact CD2-CB 4.07Å; W68-K101 HydrophobicContact CD2-CG 4.48Å; W68-K101 HydrophobicContact CE3-CB 4.22Å; W68-K101 HydrophobicContact CH2-CB 4.45Å; W68-K101 HydrophobicContact CZ2-CB 4.29Å; W68-K101 HydrophobicContact CZ2-CD 4.32Å; W68-K101 HydrophobicContact CZ3-CB 4.41Å; H82-K101 CarbonylContact C-O 2.75Å; H82-K101 WeakPolarHBondContact CA-O 3.46Å; H82-K101 WeakPolarHBondContact CB-O 3.22Å; I83-K101 HydrophobicContact CD1-CD 4.4Å; I83-K101 HydrophobicContact CD1-CG 4.19Å; I83-K101 PolarHBondContact N-O 2.88Å; F86-K101 HydrophobicContact CB-CB 3.53Å; F86-K101 HydrophobicContact CB-CD 4.43Å; F86-K101 HydrophobicContact CD1-CD 4.32Å; F86-K101 HydrophobicContact CG-CB 4.19Å; F86-K101 HydrophobicContact CG-CD 4.18Å; F86-K101 PolarHBondContact O-N 2.88Å
102	T	96.3	Very high	95.4	Very high	31 Å²	31	43.7 Å²	43.7	19%	0.19	23%	0.234	C	C	.	.			trans	-116	169.8	169.5	67.8	0	0	0	0	111.1	T67 H69 I83 F100	T67-T102 PolarHBondContact O-N 3.06Å; H69-T102 VanDerWaalsContact CD2-CG2 3.46Å; H69-T102 WeakPolarHBondContact CD2-CG2 3.37Å; H69-T102 WeakPolarHBondContact NE2-CG2 3.46Å; H69-T102 PolarHBondContact NE2-OG1 2.84Å; I83-T102 VanDerWaalsContact CD1-C 3.49Å; I83-T102 WeakPolarHBondContact CD1-O 3.36Å; F100-T102 HydrophobicContact CD2-CG2 4.01Å; F100-T102 HydrophobicContact CE2-CG2 3.77Å
103	V	89	Confident	95.5	Very high	177 Å²	177	47.6 Å²	47.6	100%	1.073	26%	0.255	S	S	*	.			trans	-59.4	0	162	-62.2	0	0	0	0	111.1	I83	I83-V103 HydrophobicContact CD1-CG1 4.35Å; I83-V103 HydrophobicContact CG1-CG1 4.43Å

Retrieved 103 of 103 residues in 30.8 ms (Link to these results)

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