A0A077ZFX7_TRITR Loading...

FLYWCH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFX7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 aa.

Structure Viewer

Loading PAE data...

(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	31	Very low	56.2	Low	231 Å²	231	101.6 Å²	101.6	100%	1.138	54%	0.54	S	S	*	.				0	123.3	0	-66.3	-172.6	-177.4	0	0	108.2	V3	M1-V3 WeakPolarHBondContact O-CG2 3.3Å; M1-V3 PolarHBondContact O-N 2.57Å; M1-V3 VanDerWaalsContact O-N 3.14Å
2	N	30.3	Very low	57.6	Low	169 Å²	169	105.1 Å²	105.1	90%	0.904	57%	0.568	S	S	*	*			trans	-62.3	110.1	-175.3	-85.8	-24.6	0	0	0	111.7	A4	N2-A4 PolarHBondContact O-N 3.39Å
3	V	42.7	Very low	59	Low	90 Å²	90	112.2 Å²	112.2	55%	0.545	58%	0.581	S	S	.	*			trans	-79.9	1.5	-176.3	-171.4	0	0	0	0	112.4	M1 N5	M1-V3 WeakPolarHBondContact O-CG2 3.3Å; M1-V3 PolarHBondContact O-N 2.57Å; M1-V3 VanDerWaalsContact O-N 3.14Å; V3-N5 VanDerWaalsContact C-N 3.28Å; V3-N5 PolarHBondContact O-N 3.42Å; V3-N5 VanDerWaalsContact O-N 3.1Å
4	A	36.1	Very low	60.6	Low	98 Å²	98	111.9 Å²	111.9	81%	0.81	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-1.1	-165	0	0	0	0	0	116.4	N2	N2-A4 PolarHBondContact O-N 3.39Å
5	N	40.2	Very low	62.4	Low	161 Å²	161	112.1 Å²	112.1	86%	0.861	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.7	41	177.9	-146.9	-5.2	0	0	0	113.4	V3	V3-N5 VanDerWaalsContact C-N 3.28Å; V3-N5 PolarHBondContact O-N 3.42Å; V3-N5 VanDerWaalsContact O-N 3.1Å
6	R	55	Low	64.3	Low	82 Å²	82	107.9 Å²	107.9	31%	0.309	55%	0.549	S	S	.	.			trans	-85.8	113.4	166.9	-78.2	-173.6	162.2	150	-6.8	108.8	R8 I78 A82	R6-R8 PolarHBondContact O-N 3.18Å; R6-I78 VanDerWaalsContact NH1-CG2 3.35Å; R6-A82 HydrophobicContact CG-CB 4.27Å
7	A	57.2	Low	66.1	Low	27 Å²	27	104 Å²	104	22%	0.223	53%	0.527	C	S	.	.			trans	-38.3	134.2	170.2	0	0	0	0	0	110.4	L9 A85 A86	A7-L9 PolarHBondContact O-N 3.36Å; A7-A85 HydrophobicContact CB-CB 4.09Å; A7-A86 HydrophobicContact CB-CB 4.13Å
8	R	74.9	Confident	67.7	Low	191 Å²	191	100.9 Å²	100.9	72%	0.721	51%	0.508	S	S	*	.			trans	-45.3	103.1	-176.7	-174.8	-178.8	-174.9	-170.7	1.8	110.2	R6 V10	R6-R8 PolarHBondContact O-N 3.18Å; R8-V10 HydrophobicContact CG-CG1 4.49Å; R8-V10 PolarHBondContact O-N 3.4Å
9	L	84.6	Confident	69.2	Low	11 Å²	11	97.4 Å²	97.4	6%	0.058	49%	0.491	C	S	.	.			trans	-72.4	128	-177.2	-73.2	-169.3	0	0	0	108.9	A7 K17 I19 M24 A81 A82 A85	A7-L9 PolarHBondContact O-N 3.36Å; L9-K17 HydrophobicContact CB-CB 3.71Å; L9-K17 HydrophobicContact CB-CD 4.48Å; L9-K17 PolarHBondContact O-N 3.44Å; L9-I19 HydrophobicContact CD1-CD1 3.36Å; L9-I19 HydrophobicContact CD1-CG1 3.7Å; L9-I19 HydrophobicContact CG-CD1 4.32Å; L9-M24 HydrophobicContact CD1-SD 4.08Å; L9-A81 HydrophobicContact CD1-CB 4.41Å; L9-A81 HydrophobicContact CD2-CB 4.23Å; L9-A81 VanDerWaalsContact CD2-O 3.31Å; L9-A81 WeakPolarHBondContact CD2-O 3.41Å; L9-A82 HydrophobicContact CD2-CB 4.42Å; L9-A85 HydrophobicContact CD2-CB 3.51Å
10	V	84.3	Confident	70.5	Confident	39 Å²	39	94.9 Å²	94.9	24%	0.236	48%	0.477	C	S	.	.	B	Isolated β-bridge	trans	-128.2	142.1	174	-66.3	0	0	0	0	109.4	R8 R15 K88	R8-V10 HydrophobicContact CG-CG1 4.49Å; R8-V10 PolarHBondContact O-N 3.4Å; V10-R15 CarbonylContact C-O 3.37Å; V10-R15 WeakPolarHBondContact CA-O 3.42Å; V10-K88 HydrophobicContact CG2-CD 4.18Å
11	S	81.5	Confident	71.7	Confident	19 Å²	19	96.5 Å²	96.5	13%	0.133	49%	0.487	C	S	.	.			trans	-64.8	168.6	171.6	65.9	0	0	0	0	111.3	R13 N14 R15	S11-R13 PolarHBondContact O-N 3.2Å; S11-R13 VanDerWaalsContact O-N 3.1Å; S11-R13 PolarHBondContact OG-N 3.38Å; S11-N14 PolarHBondContact O-N 2.95Å; S11-R15 PolarHBondContact N-O 3.35Å; S11-R15 WeakPolarHBondContact OG-CA 3.39Å; S11-R15 VanDerWaalsContact OG-CB 3.31Å; S11-R15 WeakPolarHBondContact OG-CB 3.33Å; S11-R15 PolarHBondContact OG-N 3.19Å; S11-R15 PolarHBondContact OG-O 2.96Å
12	T	73.2	Confident	74.7	Confident	143 Å²	143	86.9 Å²	86.9	88%	0.877	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.7	172.7	52.1	0	0	0	0	113.3	N14	T12-N14 VanDerWaalsContact C-N 3.34Å
13	R	76	Confident	77.9	Confident	197 Å²	197	79.6 Å²	79.6	74%	0.743	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	22.4	176	-59.9	-175.3	-178.8	179.8	0.5	113	S11 R15	S11-R13 PolarHBondContact O-N 3.2Å; S11-R13 VanDerWaalsContact O-N 3.1Å; S11-R13 PolarHBondContact OG-N 3.38Å; R13-R15 PolarHBondContact O-N 3.15Å
14	N	81	Confident	80.5	Confident	109 Å²	109	75.6 Å²	75.6	58%	0.583	38%	0.384	S	S	*	.	S	Bend	trans	58.2	20	178.9	-148	54.1	0	0	0	115.4	S11 T12 K88	S11-N14 PolarHBondContact O-N 2.95Å; T12-N14 VanDerWaalsContact C-N 3.34Å; N14-K88 PolarHBondContact OD1-NZ 2.93Å
15	R	88.2	Confident	83.4	Confident	115 Å²	115	71.1 Å²	71.1	43%	0.434	35%	0.346	S	S	.	.			trans	-81.5	138.1	170.8	-57.9	-172.9	174.7	-155.8	-5.5	110.9	V10 S11 R13 T26	V10-R15 CarbonylContact C-O 3.37Å; V10-R15 WeakPolarHBondContact CA-O 3.42Å; S11-R15 PolarHBondContact N-O 3.35Å; S11-R15 WeakPolarHBondContact OG-CA 3.39Å; S11-R15 VanDerWaalsContact OG-CB 3.31Å; S11-R15 WeakPolarHBondContact OG-CB 3.33Å; S11-R15 PolarHBondContact OG-N 3.19Å; S11-R15 PolarHBondContact OG-O 2.96Å; R13-R15 PolarHBondContact O-N 3.15Å; R15-T26 HydrophobicContact CB-CG2 3.82Å
16	E	93	Very high	86	Confident	45 Å²	45	64.3 Å²	64.3	21%	0.21	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-55.7	143.5	175.4	-171.2	169.8	-130.4	0	0	111.8	F27 K37 W39	E16-F27 HydrophobicContact CB-CB 4.14Å; E16-F27 PolarHBondContact O-N 3.23Å; E16-K37 IonicContact OE1-NZ 2.72Å; E16-K37 IonicContact OE2-NZ 3.48Å; E16-K37 PolarHBondContact OE2-NZ 2.98Å; E16-W39 HydrophobicContact CB-CH2 4.48Å; E16-W39 HydrophobicContact CB-CZ3 4.25Å; E16-W39 HydrophobicContact CG-CH2 3.79Å; E16-W39 HydrophobicContact CG-CZ3 3.91Å; E16-W39 WeakPolarHBondContact OE2-CH2 3.26Å
17	K	95.1	Very high	88	Confident	41 Å²	41	62.2 Å²	62.2	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.5	171.9	-70.4	-165.5	172.9	-161.4	0	111.4	L9 M24 F25 D42	L9-K17 HydrophobicContact CB-CB 3.71Å; L9-K17 HydrophobicContact CB-CD 4.48Å; L9-K17 PolarHBondContact O-N 3.44Å; K17-M24 HydrophobicContact CD-SD 4.01Å; K17-F25 CarbonylContact C-O 3.6Å; K17-F25 WeakPolarHBondContact CA-O 3.22Å; K17-F25 WeakPolarHBondContact CB-O 3.49Å; K17-D42 IonicContact NZ-OD2 3.16Å; K17-D42 PolarHBondContact NZ-OD2 3.31Å
18	Y	95.1	Very high	89.9	Confident	48 Å²	48	63.9 Å²	63.9	19%	0.188	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.2	173.4	-163.8	-88	0	0	0	109.2	H20 M24 F25 W39 L53 T55 N60 V62	Y18-H20 HydrophobicContact CD1-CB 4.05Å; Y18-H20 HydrophobicContact CE1-CB 3.96Å; Y18-M24 CarbonylContact O-C 3.58Å; Y18-M24 WeakPolarHBondContact O-CA 3.45Å; Y18-F25 PolarHBondContact N-O 3.14Å; Y18-F25 PolarHBondContact O-N 3.3Å; Y18-W39 HydrophobicContact CD2-CH2 4.22Å; Y18-W39 AromaticContact CD2-CZ2 3.9Å; Y18-W39 HydrophobicContact CD2-CZ2 3.9Å; Y18-W39 HydrophobicContact CG-CZ2 4.37Å; Y18-L53 HydrophobicContact CD1-CD2 3.33Å; Y18-L53 HydrophobicContact CE1-CD2 3.55Å; Y18-L53 HydrophobicContact CG-CD2 4.16Å; Y18-T55 HydrophobicContact CD2-CG2 4.14Å; Y18-T55 HydrophobicContact CE1-CG2 4.2Å; Y18-T55 HydrophobicContact CE2-CG2 3.77Å; Y18-T55 HydrophobicContact CG-CG2 4.5Å; Y18-N60 WeakPolarHBondContact CE2-O 3.47Å; Y18-N60 PolarHBondContact OH-O 2.91Å; Y18-V62 HydrophobicContact CE1-CG2 3.86Å
19	I	95.3	Very high	91	Very high	35 Å²	35	58.2 Å²	58.2	18%	0.179	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128	174.5	-63.5	155.5	0	0	0	107.8	L9 H23 M24 I78	L9-I19 HydrophobicContact CD1-CD1 3.36Å; L9-I19 HydrophobicContact CD1-CG1 3.7Å; L9-I19 HydrophobicContact CG-CD1 4.32Å; I19-H23 WeakPolarHBondContact CA-O 3.44Å; I19-M24 HydrophobicContact CG1-CG 4.05Å; I19-I78 HydrophobicContact CD1-CG2 3.49Å; I19-I78 VanDerWaalsContact CD1-CG2 3.49Å; I19-I78 HydrophobicContact CG1-CG2 3.87Å; I19-I78 HydrophobicContact CG2-CD1 3.9Å; I19-I78 HydrophobicContact CG2-CG2 4.1Å
20	H	95.8	Very high	91.6	Very high	47 Å²	47	61.7 Å²	61.7	22%	0.218	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	135.2	176.1	-172.7	60.7	0	0	0	108.9	Y18 G22 H23 F25 L53 E65	Y18-H20 HydrophobicContact CD1-CB 4.05Å; Y18-H20 HydrophobicContact CE1-CB 3.96Å; H20-G22 VanDerWaalsContact C-N 3.27Å; H20-G22 PolarHBondContact O-N 2.94Å; H20-G22 VanDerWaalsContact O-N 3.09Å; H20-H23 PolarHBondContact N-O 3.13Å; H20-H23 VanDerWaalsContact N-O 3.08Å; H20-H23 PolarHBondContact O-N 3.45Å; H20-F25 HydrophobicContact CB-CD2 4.33Å; H20-F25 HydrophobicContact CB-CE2 3.88Å; H20-L53 HydrophobicContact CB-CD2 3.9Å; H20-E65 IonicContact CD2-OE1 2.81Å; H20-E65 IonicContact CE1-OE1 2.75Å; H20-E65 IonicContact NE2-OE1 2.9Å; H20-E65 PolarHBondContact NE2-OE1 3.21Å
21	D	94.7	Very high	92.3	Very high	128 Å²	128	61.5 Å²	61.5	68%	0.684	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.7	40.6	175.3	-161.8	33.3	0	0	0	116.5	H23	D21-H23 VanDerWaalsContact C-N 3.27Å; D21-H23 PolarHBondContact O-CE1 3.48Å; D21-H23 PolarHBondContact O-N 3.16Å; D21-H23 PolarHBondContact O-ND1 3.05Å; D21-H23 VanDerWaalsContact O-ND1 3.09Å
22	G	95.6	Very high	93	Very high	29 Å²	29	69.7 Å²	69.7	30%	0.299	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	7.8	-179.8	0	0	0	0	0	114.9	H20 G73 D74 I78	H20-G22 VanDerWaalsContact C-N 3.27Å; H20-G22 PolarHBondContact O-N 2.94Å; H20-G22 VanDerWaalsContact O-N 3.09Å; G22-G73 CarbonylContact O-C 3.55Å; G22-G73 WeakPolarHBondContact O-CA 3.43Å; G22-D74 PolarHBondContact O-N 2.94Å; G22-I78 WeakPolarHBondContact O-CD1 3.48Å
23	H	96.9	Very high	94.2	Very high	17 Å²	17	66.9 Å²	66.9	8%	0.079	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	161.3	172.9	-51.1	96.5	0	0	0	112.3	I19 H20 D21 F25 H69 H71 G73	I19-H23 WeakPolarHBondContact CA-O 3.44Å; H20-H23 PolarHBondContact N-O 3.13Å; H20-H23 VanDerWaalsContact N-O 3.08Å; H20-H23 PolarHBondContact O-N 3.45Å; D21-H23 VanDerWaalsContact C-N 3.27Å; D21-H23 PolarHBondContact O-CE1 3.48Å; D21-H23 PolarHBondContact O-N 3.16Å; D21-H23 PolarHBondContact O-ND1 3.05Å; D21-H23 VanDerWaalsContact O-ND1 3.09Å; H23-F25 HydrophobicContact CB-CE2 4.03Å; H23-H69 AromaticContact CD2-CE1 3.8Å; H23-H69 AromaticContact CD2-CG 3.78Å; H23-H69 AromaticContact CD2-ND1 3.6Å; H23-H69 AromaticContact CE1-CD2 3.55Å; H23-H69 AromaticContact CE1-CG 3.73Å; H23-H69 AromaticContact CG-CD2 3.8Å; H23-H69 AromaticContact CG-CE1 3.51Å; H23-H69 AromaticContact CG-CG 3.96Å; H23-H69 AromaticContact CG-ND1 3.79Å; H23-H69 AromaticContact CG-NE2 3.54Å; H23-H69 AromaticContact ND1-CD2 3.47Å; H23-H69 PolarHBondContact ND1-CD2 2.97Å; H23-H69 AromaticContact ND1-CE1 3.97Å; H23-H69 AromaticContact ND1-CG 3.95Å; H23-H69 AromaticContact ND1-NE2 3.54Å; H23-H69 AromaticContact NE2-CD2 3.87Å; H23-H69 AromaticContact NE2-CG 3.58Å; H23-H69 AromaticContact NE2-ND1 3.88Å; H23-H71 AromaticContact CD2-CE1 3.4Å; H23-H71 PolarHBondContact CD2-CE1 2.96Å; H23-H71 VanDerWaalsContact CD2-CE1 3.4Å; H23-H71 AromaticContact CD2-ND1 3.7Å; H23-H71 PolarHBondContact NE2-O 3.27Å; H23-G73 WeakPolarHBondContact NE2-CA 3.41Å; H23-G73 PolarHBondContact NE2-N 3.09Å
24	M	96.3	Very high	95.2	Very high	6 Å²	6	66.1 Å²	66.1	3%	0.03	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.8	171.6	-77.8	-177	-73.2	0	0	110.8	L9 K17 Y18 I19 D42 R77 I78 A81	L9-M24 HydrophobicContact CD1-SD 4.08Å; K17-M24 HydrophobicContact CD-SD 4.01Å; Y18-M24 CarbonylContact O-C 3.58Å; Y18-M24 WeakPolarHBondContact O-CA 3.45Å; I19-M24 HydrophobicContact CG1-CG 4.05Å; M24-D42 HydrophobicContact CB-CB 4.3Å; M24-D42 WeakPolarHBondContact CB-OD2 3.45Å; M24-D42 WeakPolarHBondContact O-CB 3.2Å; M24-D42 PolarHBondContact O-N 3.15Å; M24-R77 HydrophobicContact CE-CG 3.7Å; M24-I78 HydrophobicContact CE-CG1 4.3Å; M24-I78 HydrophobicContact CG-CG1 3.98Å; M24-I78 HydrophobicContact SD-CG1 4.45Å; M24-A81 HydrophobicContact CE-CB 4.21Å; M24-A81 HydrophobicContact SD-CB 3.81Å
25	F	96.9	Very high	96	Very high	4 Å²	4	64.6 Å²	64.6	2%	0.018	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	149.4	174.1	-59.5	-103.4	0	0	0	109.7	K17 Y18 H20 H23 W39 R40 A51 L53 H69	K17-F25 CarbonylContact C-O 3.6Å; K17-F25 WeakPolarHBondContact CA-O 3.22Å; K17-F25 WeakPolarHBondContact CB-O 3.49Å; Y18-F25 PolarHBondContact N-O 3.14Å; Y18-F25 PolarHBondContact O-N 3.3Å; H20-F25 HydrophobicContact CB-CD2 4.33Å; H20-F25 HydrophobicContact CB-CE2 3.88Å; H23-F25 HydrophobicContact CB-CE2 4.03Å; F25-W39 HydrophobicContact CB-CB 3.67Å; F25-W39 HydrophobicContact CB-CG 4.45Å; F25-W39 HydrophobicContact CD1-CB 4.29Å; F25-W39 HydrophobicContact CG-CB 4.31Å; F25-R40 CarbonylContact C-O 3.58Å; F25-R40 WeakPolarHBondContact CA-O 3.33Å; F25-A51 HydrophobicContact CE1-CB 4.46Å; F25-L53 HydrophobicContact CD1-CB 3.82Å; F25-L53 HydrophobicContact CD2-CD2 4.16Å; F25-L53 HydrophobicContact CE1-CB 3.86Å; F25-L53 HydrophobicContact CE2-CD2 4.35Å; F25-L53 HydrophobicContact CG-CB 4.22Å; F25-L53 HydrophobicContact CG-CD2 4.39Å; F25-L53 HydrophobicContact CZ-CB 4.29Å; F25-H69 AromaticContact CE1-NE2 3.94Å; F25-H69 AromaticContact CZ-CE1 3.72Å; F25-H69 AromaticContact CZ-NE2 3.27Å; F25-H69 VanDerWaalsContact CZ-NE2 3.27Å; F25-H69 WeakPolarHBondContact CZ-NE2 3.2Å
26	T	96.7	Very high	96.5	Very high	17 Å²	17	60.8 Å²	60.8	10%	0.104	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.1	172.1	-53.8	0	0	0	0	108.9	R15 E28 R40	R15-T26 HydrophobicContact CB-CG2 3.82Å; T26-E28 PolarHBondContact O-N 2.91Å; T26-R40 PolarHBondContact N-O 3.22Å; T26-R40 PolarHBondContact O-N 3.28Å
27	F	96.7	Very high	96.8	Very high	38 Å²	38	59.4 Å²	59.4	17%	0.167	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	133.7	176.1	178.9	-103.3	0	0	0	111.1	E16 T29 Y30 K37 W39	E16-F27 HydrophobicContact CB-CB 4.14Å; E16-F27 PolarHBondContact O-N 3.23Å; F27-T29 WeakPolarHBondContact CE2-O 3.39Å; F27-T29 VanDerWaalsContact CZ-CA 3.43Å; F27-Y30 HydrophobicContact CE1-CE2 4.24Å; F27-Y30 HydrophobicContact CE2-CD1 4.38Å; F27-Y30 HydrophobicContact CE2-CD2 4.42Å; F27-Y30 HydrophobicContact CE2-CE1 4.22Å; F27-Y30 HydrophobicContact CE2-CE2 4.24Å; F27-Y30 HydrophobicContact CE2-CG 4.47Å; F27-Y30 HydrophobicContact CZ-CD1 4.39Å; F27-Y30 AromaticContact CZ-CD2 3.65Å; F27-Y30 HydrophobicContact CZ-CD2 3.65Å; F27-Y30 HydrophobicContact CZ-CE1 4.27Å; F27-Y30 AromaticContact CZ-CE2 3.49Å; F27-Y30 HydrophobicContact CZ-CE2 3.49Å; F27-Y30 VanDerWaalsContact CZ-CE2 3.49Å; F27-Y30 HydrophobicContact CZ-CG 4.09Å; F27-Y30 AromaticContact CZ-CZ 3.81Å; F27-K37 HydrophobicContact CD2-CB 4.11Å; F27-K37 HydrophobicContact CD2-CD 4.29Å; F27-K37 HydrophobicContact CD2-CG 4.29Å; F27-K37 HydrophobicContact CE2-CB 3.88Å; F27-K37 HydrophobicContact CE2-CD 4.26Å; F27-K37 HydrophobicContact CE2-CG 3.87Å; F27-W39 VanDerWaalsContact CA-CE3 3.49Å; F27-W39 HydrophobicContact CB-CE3 3.85Å; F27-W39 HydrophobicContact CB-CH2 4.45Å; F27-W39 HydrophobicContact CB-CZ3 3.69Å; F27-W39 HydrophobicContact CD2-CE3 4.47Å; F27-W39 HydrophobicContact CD2-CZ3 4.4Å
28	E	96.2	Very high	96.9	Very high	63 Å²	63	59.6 Å²	59.6	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-64.9	175.4	179.2	174.7	-153.1	0	0	111.2	T26 F38 R40 R52	T26-E28 PolarHBondContact O-N 2.91Å; E28-F38 WeakPolarHBondContact CB-O 3.36Å; E28-F38 PolarHBondContact N-O 3.06Å; E28-R40 HydrophobicContact CB-CG 4.44Å; E28-R40 IonicContact OE1-CZ 2.68Å; E28-R40 IonicContact OE1-NE 2.71Å; E28-R40 PolarHBondContact OE1-NE 3.02Å; E28-R40 IonicContact OE1-NH2 3.96Å; E28-R40 PolarHBondContact OE1-NH2 3.33Å; E28-R40 WeakPolarHBondContact OE2-CG 3.44Å; E28-R40 IonicContact OE2-CZ 3.63Å; E28-R40 IonicContact OE2-NE 2.96Å; E28-R40 PolarHBondContact OE2-NE 3.4Å; E28-R40 IonicContact OE2-NH2 3.84Å; E28-R40 PolarHBondContact OE2-NH2 3.47Å; E28-R52 IonicContact OE1-NH2 3.64Å; E28-R52 IonicContact OE2-CZ 3.6Å; E28-R52 IonicContact OE2-NE 3.62Å; E28-R52 IonicContact OE2-NH2 2.7Å; E28-R52 PolarHBondContact OE2-NH2 2.84Å
29	T	97.4	Very high	97.1	Very high	71 Å²	71	57.4 Å²	57.4	44%	0.436	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	173.1	-174.5	-167.2	0	0	0	0	111	F27 F38	F27-T29 WeakPolarHBondContact CE2-O 3.39Å; F27-T29 VanDerWaalsContact CZ-CA 3.43Å; T29-F38 HydrophobicContact CG2-CB 4.44Å; T29-F38 HydrophobicContact CG2-CD2 3.78Å; T29-F38 WeakPolarHBondContact O-CB 3.38Å; T29-F38 PolarHBondContact O-N 3.06Å
30	Y	98.1	Very high	97.2	Very high	85 Å²	85	60 Å²	60	33%	0.333	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	162.3	171.2	-65.7	-79.7	0	0	0	111.5	F27 I36 K37 V57	F27-Y30 HydrophobicContact CE1-CE2 4.24Å; F27-Y30 HydrophobicContact CE2-CD1 4.38Å; F27-Y30 HydrophobicContact CE2-CD2 4.42Å; F27-Y30 HydrophobicContact CE2-CE1 4.22Å; F27-Y30 HydrophobicContact CE2-CE2 4.24Å; F27-Y30 HydrophobicContact CE2-CG 4.47Å; F27-Y30 HydrophobicContact CZ-CD1 4.39Å; F27-Y30 AromaticContact CZ-CD2 3.65Å; F27-Y30 HydrophobicContact CZ-CD2 3.65Å; F27-Y30 HydrophobicContact CZ-CE1 4.27Å; F27-Y30 AromaticContact CZ-CE2 3.49Å; F27-Y30 HydrophobicContact CZ-CE2 3.49Å; F27-Y30 VanDerWaalsContact CZ-CE2 3.49Å; F27-Y30 HydrophobicContact CZ-CG 4.09Å; F27-Y30 AromaticContact CZ-CZ 3.81Å; Y30-I36 CarbonylContact C-O 3.52Å; Y30-I36 VanDerWaalsContact CA-O 3.28Å; Y30-I36 WeakPolarHBondContact CA-O 3.32Å; Y30-K37 HydrophobicContact CD1-CG 3.92Å; Y30-K37 HydrophobicContact CE1-CD 4.25Å; Y30-K37 HydrophobicContact CE1-CG 3.55Å; Y30-V57 HydrophobicContact CD1-CG2 3.85Å; Y30-V57 HydrophobicContact CE1-CG2 3.72Å
31	N	97.9	Very high	97.3	Very high	35 Å²	35	57.8 Å²	57.8	19%	0.187	29%	0.288	C	S	.	.			trans	-67.9	170	158.5	72.7	-26.9	0	0	0	111.1	S33 R34 T35 I36 F38	N31-S33 VanDerWaalsContact C-N 3.33Å; N31-S33 PolarHBondContact O-N 3.41Å; N31-R34 PolarHBondContact O-N 3.33Å; N31-R34 VanDerWaalsContact OD1-CA 3.3Å; N31-R34 WeakPolarHBondContact OD1-CA 3.47Å; N31-R34 PolarHBondContact OD1-N 3.23Å; N31-T35 PolarHBondContact ND2-OG1 3.23Å; N31-T35 PolarHBondContact OD1-N 3.35Å; N31-I36 HydrophobicContact CB-CB 4.13Å; N31-I36 PolarHBondContact N-O 3.22Å; N31-I36 PolarHBondContact OD1-N 2.85Å; N31-I36 PolarHBondContact OD1-O 2.98Å; N31-F38 HydrophobicContact CB-CE2 3.86Å; N31-F38 HydrophobicContact CB-CZ 3.8Å
32	H	97.8	Very high	97.4	Very high	190 Å²	190	52.9 Å²	52.9	88%	0.88	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-48.4	-179.2	-179.3	71.5	0	0	0	112.5	R34	H32-R34 PolarHBondContact O-N 3.37Å
33	S	97.7	Very high	97.4	Very high	85 Å²	85	53.1 Å²	53.1	59%	0.594	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	0.9	-179.9	-45.8	0	0	0	0	114.6	N31 T35	N31-S33 VanDerWaalsContact C-N 3.33Å; N31-S33 PolarHBondContact O-N 3.41Å; S33-T35 PolarHBondContact O-N 3.05Å; S33-T35 VanDerWaalsContact O-N 3.16Å
34	R	97.6	Very high	97.4	Very high	180 Å²	180	54.8 Å²	54.8	68%	0.679	26%	0.261	S	S	*	.	S	Bend	trans	54.8	28.2	-177.7	-57.4	179.2	177.1	-122.7	1.9	115.4	N31 H32 V57	N31-R34 PolarHBondContact O-N 3.33Å; N31-R34 VanDerWaalsContact OD1-CA 3.3Å; N31-R34 WeakPolarHBondContact OD1-CA 3.47Å; N31-R34 PolarHBondContact OD1-N 3.23Å; H32-R34 PolarHBondContact O-N 3.37Å; R34-V57 WeakPolarHBondContact O-CG2 3.32Å
35	T	98.2	Very high	97.3	Very high	78 Å²	78	62 Å²	62	48%	0.479	29%	0.289	S	S	.	.	S	Bend	trans	-96.5	-18.9	176	54.1	0	0	0	0	112.9	N31 S33 V57	N31-T35 PolarHBondContact ND2-OG1 3.23Å; N31-T35 PolarHBondContact OD1-N 3.35Å; S33-T35 PolarHBondContact O-N 3.05Å; S33-T35 VanDerWaalsContact O-N 3.16Å; T35-V57 WeakPolarHBondContact O-CB 3.49Å; T35-V57 WeakPolarHBondContact O-CG2 3.39Å; T35-V57 PolarHBondContact O-N 3.01Å
36	I	98.4	Very high	97.3	Very high	34 Å²	34	69.2 Å²	69.2	17%	0.174	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136	-179.2	-59	-57.7	0	0	0	110.1	Y30 N31 F38 H54 T55 V63	Y30-I36 CarbonylContact C-O 3.52Å; Y30-I36 VanDerWaalsContact CA-O 3.28Å; Y30-I36 WeakPolarHBondContact CA-O 3.32Å; N31-I36 HydrophobicContact CB-CB 4.13Å; N31-I36 PolarHBondContact N-O 3.22Å; N31-I36 PolarHBondContact OD1-N 2.85Å; N31-I36 PolarHBondContact OD1-O 2.98Å; I36-F38 HydrophobicContact CG2-CD1 4.15Å; I36-F38 HydrophobicContact CG2-CE1 3.87Å; I36-F38 HydrophobicContact CG2-CZ 4.49Å; I36-H54 HydrophobicContact CG2-CB 3.88Å; I36-T55 CarbonylContact C-O 3.54Å; I36-T55 VanDerWaalsContact CA-O 3.32Å; I36-T55 WeakPolarHBondContact CA-O 3.38Å; I36-V63 HydrophobicContact CD1-CG2 3.86Å
37	K	98.3	Very high	97.3	Very high	16 Å²	16	71.9 Å²	71.9	7%	0.07	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.9	166.4	-63.9	-177.7	176.5	-179.9	0	109.8	E16 F27 Y30 W39 H54 T55 V57	E16-K37 IonicContact OE1-NZ 2.72Å; E16-K37 IonicContact OE2-NZ 3.48Å; E16-K37 PolarHBondContact OE2-NZ 2.98Å; F27-K37 HydrophobicContact CD2-CB 4.11Å; F27-K37 HydrophobicContact CD2-CD 4.29Å; F27-K37 HydrophobicContact CD2-CG 4.29Å; F27-K37 HydrophobicContact CE2-CB 3.88Å; F27-K37 HydrophobicContact CE2-CD 4.26Å; F27-K37 HydrophobicContact CE2-CG 3.87Å; Y30-K37 HydrophobicContact CD1-CG 3.92Å; Y30-K37 HydrophobicContact CE1-CD 4.25Å; Y30-K37 HydrophobicContact CE1-CG 3.55Å; K37-W39 HydrophobicContact CB-CZ2 3.87Å; K37-W39 HydrophobicContact CD-CH2 3.98Å; K37-W39 HydrophobicContact CD-CZ2 3.39Å; K37-W39 HydrophobicContact CG-CZ2 4.26Å; K37-W39 PolarHBondContact O-NE1 3.2Å; K37-H54 VanDerWaalsContact O-CA 3.32Å; K37-H54 WeakPolarHBondContact O-CA 3.47Å; K37-T55 PolarHBondContact N-O 3.29Å; K37-T55 PolarHBondContact O-N 3.28Å; K37-V57 HydrophobicContact CG-CG2 3.73Å
38	F	98.2	Very high	97.3	Very high	46 Å²	46	75.6 Å²	75.6	20%	0.202	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.8	169.6	-59.4	-53.4	0	0	0	110.4	E28 T29 N31 I36 H54	E28-F38 WeakPolarHBondContact CB-O 3.36Å; E28-F38 PolarHBondContact N-O 3.06Å; T29-F38 HydrophobicContact CG2-CB 4.44Å; T29-F38 HydrophobicContact CG2-CD2 3.78Å; T29-F38 WeakPolarHBondContact O-CB 3.38Å; T29-F38 PolarHBondContact O-N 3.06Å; N31-F38 HydrophobicContact CB-CE2 3.86Å; N31-F38 HydrophobicContact CB-CZ 3.8Å; I36-F38 HydrophobicContact CG2-CD1 4.15Å; I36-F38 HydrophobicContact CG2-CE1 3.87Å; I36-F38 HydrophobicContact CG2-CZ 4.49Å; F38-H54 HydrophobicContact CD1-CB 4.45Å; F38-H54 AromaticContact CD1-CD2 3.45Å; F38-H54 VanDerWaalsContact CD1-CD2 3.45Å; F38-H54 WeakPolarHBondContact CD1-CD2 3.27Å; F38-H54 AromaticContact CD1-CE1 3.74Å; F38-H54 AromaticContact CD1-CG 3.69Å; F38-H54 AromaticContact CD1-ND1 3.87Å; F38-H54 AromaticContact CD1-NE2 3.48Å; F38-H54 WeakPolarHBondContact CD1-NE2 3.49Å; F38-H54 AromaticContact CE1-CD2 3.92Å; F38-H54 AromaticContact CE1-CE1 3.43Å; F38-H54 VanDerWaalsContact CE1-CE1 3.43Å; F38-H54 WeakPolarHBondContact CE1-CE1 3.48Å; F38-H54 AromaticContact CE1-CG 3.83Å; F38-H54 AromaticContact CE1-ND1 3.54Å; F38-H54 AromaticContact CE1-NE2 3.67Å
39	W	98.3	Very high	97.4	Very high	2 Å²	2	72.9 Å²	72.9	1%	0.008	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.5	-178.7	-43.2	82.2	0	0	0	110.9	E16 Y18 F25 F27 K37 R52 L53 T55	E16-W39 HydrophobicContact CB-CH2 4.48Å; E16-W39 HydrophobicContact CB-CZ3 4.25Å; E16-W39 HydrophobicContact CG-CH2 3.79Å; E16-W39 HydrophobicContact CG-CZ3 3.91Å; E16-W39 WeakPolarHBondContact OE2-CH2 3.26Å; Y18-W39 HydrophobicContact CD2-CH2 4.22Å; Y18-W39 AromaticContact CD2-CZ2 3.9Å; Y18-W39 HydrophobicContact CD2-CZ2 3.9Å; Y18-W39 HydrophobicContact CG-CZ2 4.37Å; F25-W39 HydrophobicContact CB-CB 3.67Å; F25-W39 HydrophobicContact CB-CG 4.45Å; F25-W39 HydrophobicContact CD1-CB 4.29Å; F25-W39 HydrophobicContact CG-CB 4.31Å; F27-W39 VanDerWaalsContact CA-CE3 3.49Å; F27-W39 HydrophobicContact CB-CE3 3.85Å; F27-W39 HydrophobicContact CB-CH2 4.45Å; F27-W39 HydrophobicContact CB-CZ3 3.69Å; F27-W39 HydrophobicContact CD2-CE3 4.47Å; F27-W39 HydrophobicContact CD2-CZ3 4.4Å; K37-W39 HydrophobicContact CB-CZ2 3.87Å; K37-W39 HydrophobicContact CD-CH2 3.98Å; K37-W39 HydrophobicContact CD-CZ2 3.39Å; K37-W39 HydrophobicContact CG-CZ2 4.26Å; K37-W39 PolarHBondContact O-NE1 3.2Å; W39-R52 VanDerWaalsContact O-CA 3.3Å; W39-R52 WeakPolarHBondContact O-CA 3.27Å; W39-R52 WeakPolarHBondContact O-CB 3.29Å; W39-L53 HydrophobicContact CB-CB 4.07Å; W39-L53 VanDerWaalsContact CD1-O 3.22Å; W39-L53 HydrophobicContact CG-CB 4.38Å; W39-L53 PolarHBondContact N-O 3.49Å; W39-L53 PolarHBondContact O-N 2.91Å; W39-L53 VanDerWaalsContact O-N 3.12Å; W39-T55 VanDerWaalsContact NE1-CG2 3.28Å; W39-T55 PolarHBondContact NE1-OG1 3.36Å
40	R	97.9	Very high	97.4	Very high	88 Å²	88	76 Å²	76	33%	0.332	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147.7	171.8	-64.8	-171.7	180	-97.1	-1.7	110.3	F25 T26 E28 D42	F25-R40 CarbonylContact C-O 3.58Å; F25-R40 WeakPolarHBondContact CA-O 3.33Å; T26-R40 PolarHBondContact N-O 3.22Å; T26-R40 PolarHBondContact O-N 3.28Å; E28-R40 HydrophobicContact CB-CG 4.44Å; E28-R40 IonicContact OE1-CZ 2.68Å; E28-R40 IonicContact OE1-NE 2.71Å; E28-R40 PolarHBondContact OE1-NE 3.02Å; E28-R40 IonicContact OE1-NH2 3.96Å; E28-R40 PolarHBondContact OE1-NH2 3.33Å; E28-R40 WeakPolarHBondContact OE2-CG 3.44Å; E28-R40 IonicContact OE2-CZ 3.63Å; E28-R40 IonicContact OE2-NE 2.96Å; E28-R40 PolarHBondContact OE2-NE 3.4Å; E28-R40 IonicContact OE2-NH2 3.84Å; E28-R40 PolarHBondContact OE2-NH2 3.47Å; R40-D42 PolarHBondContact O-N 3.17Å
41	C	97.8	Very high	97.5	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.007	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.6	136.1	170.1	-177.5	0	0	0	0	111.4	Q43 R44 C49 A51 H71	C41-Q43 PolarHBondContact O-N 2.84Å; C41-Q43 PolarHBondContact SG-N 2.95Å; C41-R44 WeakPolarHBondContact O-CB 3.45Å; C41-R44 WeakPolarHBondContact O-CG 3.37Å; C41-R44 PolarHBondContact O-N 3.37Å; C41-R44 PolarHBondContact O-NH1 3.09Å; C41-R44 VanDerWaalsContact O-NH1 3.15Å; C41-C49 HydrophobicContact CB-CB 4.3Å; C41-A51 HydrophobicContact CB-CB 4.4Å; C41-A51 PolarHBondContact N-O 3.18Å; C41-A51 VanDerWaalsContact N-O 3.15Å; C41-H71 PolarHBondContact SG-NE2 3.34Å
42	D	95.9	Very high	97.5	Very high	25 Å²	25	73.8 Å²	73.8	13%	0.134	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-12.4	178	87.5	-18.8	0	0	0	112.9	K17 M24 R40 R77	K17-D42 IonicContact NZ-OD2 3.16Å; K17-D42 PolarHBondContact NZ-OD2 3.31Å; M24-D42 HydrophobicContact CB-CB 4.3Å; M24-D42 WeakPolarHBondContact CB-OD2 3.45Å; M24-D42 WeakPolarHBondContact O-CB 3.2Å; M24-D42 PolarHBondContact O-N 3.15Å; R40-D42 PolarHBondContact O-N 3.17Å; D42-R77 IonicContact OD1-CZ 3.77Å; D42-R77 IonicContact OD1-NH2 3.96Å; D42-R77 PolarHBondContact OD1-NH2 3.48Å; D42-R77 IonicContact OD2-CZ 3.87Å; D42-R77 IonicContact OD2-NH2 2.99Å; D42-R77 PolarHBondContact OD2-NH2 3.12Å
43	Q	96.1	Very high	97.5	Very high	35 Å²	35	64.8 Å²	64.8	16%	0.164	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	8.5	172.3	-67.4	-67.9	-103	0	0	114.5	C41 Y45 F46 H47 R77	C41-Q43 PolarHBondContact O-N 2.84Å; C41-Q43 PolarHBondContact SG-N 2.95Å; Q43-Y45 PolarHBondContact O-N 3.17Å; Q43-F46 PolarHBondContact O-N 3.11Å; Q43-H47 PolarHBondContact O-N 3.22Å; Q43-R77 VanDerWaalsContact CD-CZ 3.41Å; Q43-R77 VanDerWaalsContact NE2-CZ 3.28Å
44	R	96.6	Very high	97.5	Very high	51 Å²	51	62.4 Å²	62.4	19%	0.192	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-34	-177.8	68.4	-177.5	176.6	-80.7	-0.8	115.6	C41 D48 C49	C41-R44 WeakPolarHBondContact O-CB 3.45Å; C41-R44 WeakPolarHBondContact O-CG 3.37Å; C41-R44 PolarHBondContact O-N 3.37Å; C41-R44 PolarHBondContact O-NH1 3.09Å; C41-R44 VanDerWaalsContact O-NH1 3.15Å; R44-D48 CarbonylContact O-C 3.47Å; R44-D48 WeakPolarHBondContact O-CA 3.36Å; R44-D48 PolarHBondContact O-N 3.38Å; R44-C49 WeakPolarHBondContact CA-O 3.45Å; R44-C49 WeakPolarHBondContact CB-O 3.45Å; R44-C49 PolarHBondContact O-N 3.06Å
45	Y	95.7	Very high	97.6	Very high	159 Å²	159	53.8 Å²	53.8	62%	0.624	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-24	-179.2	-55.8	-58.5	0	0	0	113.4	Q43 R172	Q43-Y45 PolarHBondContact O-N 3.17Å; Y45-R172 PolarHBondContact OH-NH1 3.01Å
46	F	96	Very high	97.5	Very high	155 Å²	155	50.8 Å²	50.8	68%	0.68	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-34.4	-177.4	-174.7	-106.1	0	0	0	111.6	Q43	Q43-F46 PolarHBondContact O-N 3.11Å
47	H	96.7	Very high	97.4	Very high	73 Å²	73	51.6 Å²	51.6	34%	0.338	23%	0.232	S	C	.	.	S	Bend	trans	-114.3	12.9	-178.8	-67.4	-59.2	0	0	0	113.8	Q43 C49 S70 H71	Q43-H47 PolarHBondContact O-N 3.22Å; H47-C49 HydrophobicContact CB-CB 4.27Å; H47-C49 PolarHBondContact O-N 3.01Å; H47-S70 PolarHBondContact O-OG 3Å; H47-H71 HydrophobicContact CB-CB 4.26Å; H47-H71 AromaticContact CD2-CD2 3.54Å; H47-H71 AromaticContact CD2-CG 3.4Å; H47-H71 AromaticContact CG-CD2 3.87Å; H47-H71 AromaticContact CG-CG 3.93Å; H47-H71 AromaticContact NE2-CG 4Å
48	D	97	Very high	97.4	Very high	116 Å²	116	55.9 Å²	55.9	62%	0.62	26%	0.264	S	S	*	.			trans	45.2	35.9	-165.8	-165.9	40.5	0	0	0	112.7	R44 K50	R44-D48 CarbonylContact O-C 3.47Å; R44-D48 WeakPolarHBondContact O-CA 3.36Å; R44-D48 PolarHBondContact O-N 3.38Å; D48-K50 PolarHBondContact O-N 3.43Å
49	C	98.3	Very high	97.3	Very high	6 Å²	6	57 Å²	57	4%	0.041	27%	0.274	C	S	.	.			trans	-75	124.9	-170.2	-177.7	0	0	0	0	111.7	C41 R44 H47 H69 S70	C41-C49 HydrophobicContact CB-CB 4.3Å; R44-C49 WeakPolarHBondContact CA-O 3.45Å; R44-C49 WeakPolarHBondContact CB-O 3.45Å; R44-C49 PolarHBondContact O-N 3.06Å; H47-C49 HydrophobicContact CB-CB 4.27Å; H47-C49 PolarHBondContact O-N 3.01Å; C49-H69 PolarHBondContact SG-ND1 3.13Å; C49-H69 VanDerWaalsContact SG-ND1 3.44Å; C49-S70 WeakPolarHBondContact CA-OG 2.86Å; C49-S70 WeakPolarHBondContact CB-OG 3.37Å
50	K	98.3	Very high	97	Very high	137 Å²	137	60.6 Å²	60.6	60%	0.596	29%	0.294	S	S	*	.			trans	-100.5	4.4	-177.2	-61.8	176	-173.4	171	0	113.9	D48 N67	D48-K50 PolarHBondContact O-N 3.43Å; K50-N67 PolarHBondContact O-ND2 3.23Å
51	A	98.5	Very high	97	Very high	3 Å²	3	62.2 Å²	62.2	3%	0.025	31%	0.305	C	S	.	.			trans	-61.9	135.8	178.5	0	0	0	0	0	111.8	F25 C41 V66 H69	F25-A51 HydrophobicContact CE1-CB 4.46Å; C41-A51 HydrophobicContact CB-CB 4.4Å; C41-A51 PolarHBondContact N-O 3.18Å; C41-A51 VanDerWaalsContact N-O 3.15Å; A51-V66 CarbonylContact C-O 3.56Å; A51-V66 WeakPolarHBondContact CA-O 3.46Å; A51-H69 VanDerWaalsContact CB-CE1 3.49Å; A51-H69 WeakPolarHBondContact CB-CE1 3.32Å
52	R	98.6	Very high	96.9	Very high	70 Å²	70	64.3 Å²	64.3	26%	0.264	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.6	176.1	-44.6	-179.7	72.5	168.8	-1.3	110.1	E28 W39 V66	E28-R52 IonicContact OE1-NH2 3.64Å; E28-R52 IonicContact OE2-CZ 3.6Å; E28-R52 IonicContact OE2-NE 3.62Å; E28-R52 IonicContact OE2-NH2 2.7Å; E28-R52 PolarHBondContact OE2-NH2 2.84Å; W39-R52 VanDerWaalsContact O-CA 3.3Å; W39-R52 WeakPolarHBondContact O-CA 3.27Å; W39-R52 WeakPolarHBondContact O-CB 3.29Å; R52-V66 HydrophobicContact CB-CB 4.13Å; R52-V66 PolarHBondContact N-O 2.69Å; R52-V66 PolarHBondContact O-N 3.11Å
53	L	97.8	Very high	97	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.3	178.1	-165.6	70	0	0	0	108.6	Y18 H20 F25 W39 T55 V62 E65	Y18-L53 HydrophobicContact CD1-CD2 3.33Å; Y18-L53 HydrophobicContact CE1-CD2 3.55Å; Y18-L53 HydrophobicContact CG-CD2 4.16Å; H20-L53 HydrophobicContact CB-CD2 3.9Å; F25-L53 HydrophobicContact CD1-CB 3.82Å; F25-L53 HydrophobicContact CD2-CD2 4.16Å; F25-L53 HydrophobicContact CE1-CB 3.86Å; F25-L53 HydrophobicContact CE2-CD2 4.35Å; F25-L53 HydrophobicContact CG-CB 4.22Å; F25-L53 HydrophobicContact CG-CD2 4.39Å; F25-L53 HydrophobicContact CZ-CB 4.29Å; W39-L53 HydrophobicContact CB-CB 4.07Å; W39-L53 VanDerWaalsContact CD1-O 3.22Å; W39-L53 HydrophobicContact CG-CB 4.38Å; W39-L53 PolarHBondContact N-O 3.49Å; W39-L53 PolarHBondContact O-N 2.91Å; W39-L53 VanDerWaalsContact O-N 3.12Å; L53-T55 HydrophobicContact CD2-CG2 4.01Å; L53-T55 HydrophobicContact CG-CG2 4.2Å; L53-V62 HydrophobicContact CD1-CB 4.25Å; L53-V62 HydrophobicContact CD1-CG1 3.39Å; L53-V62 HydrophobicContact CD1-CG2 3.83Å; L53-V62 HydrophobicContact CD2-CG2 3.93Å; L53-V62 HydrophobicContact CG-CG1 4.21Å; L53-V62 HydrophobicContact CG-CG2 4.12Å; L53-E65 HydrophobicContact CD1-CG 3.65Å
54	H	98.2	Very high	97.1	Very high	35 Å²	35	71 Å²	71	16%	0.162	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.1	170.3	-59.6	-171.8	0	0	0	107.6	I36 K37 F38 V63 K64	I36-H54 HydrophobicContact CG2-CB 3.88Å; K37-H54 VanDerWaalsContact O-CA 3.32Å; K37-H54 WeakPolarHBondContact O-CA 3.47Å; F38-H54 HydrophobicContact CD1-CB 4.45Å; F38-H54 AromaticContact CD1-CD2 3.45Å; F38-H54 VanDerWaalsContact CD1-CD2 3.45Å; F38-H54 WeakPolarHBondContact CD1-CD2 3.27Å; F38-H54 AromaticContact CD1-CE1 3.74Å; F38-H54 AromaticContact CD1-CG 3.69Å; F38-H54 AromaticContact CD1-ND1 3.87Å; F38-H54 AromaticContact CD1-NE2 3.48Å; F38-H54 WeakPolarHBondContact CD1-NE2 3.49Å; F38-H54 AromaticContact CE1-CD2 3.92Å; F38-H54 AromaticContact CE1-CE1 3.43Å; F38-H54 VanDerWaalsContact CE1-CE1 3.43Å; F38-H54 WeakPolarHBondContact CE1-CE1 3.48Å; F38-H54 AromaticContact CE1-CG 3.83Å; F38-H54 AromaticContact CE1-ND1 3.54Å; F38-H54 AromaticContact CE1-NE2 3.67Å; H54-V63 HydrophobicContact CB-CG2 3.76Å; H54-V63 WeakPolarHBondContact O-CG2 3.19Å; H54-V63 PolarHBondContact O-N 3.36Å; H54-K64 HydrophobicContact CB-CB 3.91Å; H54-K64 PolarHBondContact N-O 2.99Å; H54-K64 PolarHBondContact O-N 2.98Å
55	T	98.1	Very high	97.2	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.9	175.8	69	0	0	0	0	111.1	Y18 I36 K37 W39 L53 E61 V62	Y18-T55 HydrophobicContact CD2-CG2 4.14Å; Y18-T55 HydrophobicContact CE1-CG2 4.2Å; Y18-T55 HydrophobicContact CE2-CG2 3.77Å; Y18-T55 HydrophobicContact CG-CG2 4.5Å; I36-T55 CarbonylContact C-O 3.54Å; I36-T55 VanDerWaalsContact CA-O 3.32Å; I36-T55 WeakPolarHBondContact CA-O 3.38Å; K37-T55 PolarHBondContact N-O 3.29Å; K37-T55 PolarHBondContact O-N 3.28Å; W39-T55 VanDerWaalsContact NE1-CG2 3.28Å; W39-T55 PolarHBondContact NE1-OG1 3.36Å; L53-T55 HydrophobicContact CD2-CG2 4.01Å; L53-T55 HydrophobicContact CG-CG2 4.2Å; T55-E61 CarbonylContact C-O 3.5Å; T55-E61 WeakPolarHBondContact CA-O 3.18Å; T55-E61 VanDerWaalsContact CB-O 3.26Å; T55-E61 WeakPolarHBondContact CB-O 3.33Å; T55-V62 HydrophobicContact CG2-CG2 4.26Å
56	S	97.8	Very high	97.3	Very high	15 Å²	15	68.4 Å²	68.4	11%	0.105	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	138.7	168.6	175.6	0	0	0	0	110.4	S58 T59 N60 E61	S56-S58 PolarHBondContact OG-N 2.78Å; S56-S58 PolarHBondContact OG-OG 3.49Å; S56-T59 VanDerWaalsContact CB-OG1 3.27Å; S56-T59 WeakPolarHBondContact CB-OG1 3.28Å; S56-T59 PolarHBondContact OG-N 3.13Å; S56-T59 PolarHBondContact OG-OG1 3.4Å; S56-N60 WeakPolarHBondContact O-CA 3.47Å; S56-N60 PolarHBondContact O-N 3.45Å; S56-E61 PolarHBondContact N-O 3.14Å
57	V	96.5	Very high	97.4	Very high	51 Å²	51	65.9 Å²	65.9	31%	0.309	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-35.6	172.7	172	0	0	0	0	111.1	Y30 R34 T35 K37	Y30-V57 HydrophobicContact CD1-CG2 3.85Å; Y30-V57 HydrophobicContact CE1-CG2 3.72Å; R34-V57 WeakPolarHBondContact O-CG2 3.32Å; T35-V57 WeakPolarHBondContact O-CB 3.49Å; T35-V57 WeakPolarHBondContact O-CG2 3.39Å; T35-V57 PolarHBondContact O-N 3.01Å; K37-V57 HydrophobicContact CG-CG2 3.73Å
58	S	96.6	Very high	97.4	Very high	105 Å²	105	70 Å²	70	73%	0.734	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-42.6	-176.8	55.3	0	0	0	0	112.5	S56	S56-S58 PolarHBondContact OG-N 2.78Å; S56-S58 PolarHBondContact OG-OG 3.49Å
59	T	95.8	Very high	97.5	Very high	70 Å²	70	66.9 Å²	66.9	43%	0.429	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-15.9	-175.4	67.9	0	0	0	0	113.7	S56 E61	S56-T59 VanDerWaalsContact CB-OG1 3.27Å; S56-T59 WeakPolarHBondContact CB-OG1 3.28Å; S56-T59 PolarHBondContact OG-N 3.13Å; S56-T59 PolarHBondContact OG-OG1 3.4Å; T59-E61 VanDerWaalsContact CB-OE2 3.32Å; T59-E61 WeakPolarHBondContact CB-OE2 3.41Å; T59-E61 PolarHBondContact O-N 3.28Å; T59-E61 VanDerWaalsContact O-N 3.16Å; T59-E61 WeakPolarHBondContact OG1-CB 3.44Å; T59-E61 WeakPolarHBondContact OG1-CG 3.2Å; T59-E61 PolarHBondContact OG1-N 2.96Å; T59-E61 PolarHBondContact OG1-OE2 3.47Å
60	N	93.8	Very high	97.5	Very high	78 Å²	78	70.1 Å²	70.1	42%	0.417	37%	0.371	S	S	.	.			trans	57.9	13.4	-168.9	-61.6	-69.9	0	0	0	114.6	Y18 S56	Y18-N60 WeakPolarHBondContact CE2-O 3.47Å; Y18-N60 PolarHBondContact OH-O 2.91Å; S56-N60 WeakPolarHBondContact O-CA 3.47Å; S56-N60 PolarHBondContact O-N 3.45Å
61	E	96.2	Very high	97.4	Very high	122 Å²	122	65 Å²	65	57%	0.57	35%	0.35	S	S	*	.			trans	-80.7	151	176.6	-64.4	168.6	144.9	0	0	111.1	T55 S56 T59 V63	T55-E61 CarbonylContact C-O 3.5Å; T55-E61 WeakPolarHBondContact CA-O 3.18Å; T55-E61 VanDerWaalsContact CB-O 3.26Å; T55-E61 WeakPolarHBondContact CB-O 3.33Å; S56-E61 PolarHBondContact N-O 3.14Å; T59-E61 VanDerWaalsContact CB-OE2 3.32Å; T59-E61 WeakPolarHBondContact CB-OE2 3.41Å; T59-E61 PolarHBondContact O-N 3.28Å; T59-E61 VanDerWaalsContact O-N 3.16Å; T59-E61 WeakPolarHBondContact OG1-CB 3.44Å; T59-E61 WeakPolarHBondContact OG1-CG 3.2Å; T59-E61 PolarHBondContact OG1-N 2.96Å; T59-E61 PolarHBondContact OG1-OE2 3.47Å; E61-V63 PolarHBondContact O-N 3.28Å
62	V	97.5	Very high	97.4	Very high	44 Å²	44	70.9 Å²	70.9	27%	0.267	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	120.8	173	177.2	0	0	0	0	109.3	Y18 L53 T55 E65	Y18-V62 HydrophobicContact CE1-CG2 3.86Å; L53-V62 HydrophobicContact CD1-CB 4.25Å; L53-V62 HydrophobicContact CD1-CG1 3.39Å; L53-V62 HydrophobicContact CD1-CG2 3.83Å; L53-V62 HydrophobicContact CD2-CG2 3.93Å; L53-V62 HydrophobicContact CG-CG1 4.21Å; L53-V62 HydrophobicContact CG-CG2 4.12Å; T55-V62 HydrophobicContact CG2-CG2 4.26Å; V62-E65 HydrophobicContact CG1-CG 4.04Å
63	V	97.8	Very high	97.2	Very high	82 Å²	82	69.2 Å²	69.2	50%	0.497	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-20.9	176.3	-60.1	0	0	0	0	112.5	I36 H54 E61	I36-V63 HydrophobicContact CD1-CG2 3.86Å; H54-V63 HydrophobicContact CB-CG2 3.76Å; H54-V63 WeakPolarHBondContact O-CG2 3.19Å; H54-V63 PolarHBondContact O-N 3.36Å; E61-V63 PolarHBondContact O-N 3.28Å
64	K	97.9	Very high	97.1	Very high	120 Å²	120	72.3 Å²	72.3	52%	0.522	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	138	178.4	-166.1	174.7	-175.6	171.9	0	111.9	H54 V66	H54-K64 HydrophobicContact CB-CB 3.91Å; H54-K64 PolarHBondContact N-O 2.99Å; H54-K64 PolarHBondContact O-N 2.98Å; K64-V66 HydrophobicContact CD-CG2 4.03Å; K64-V66 HydrophobicContact CG-CG2 4.02Å
65	E	98.2	Very high	96.8	Very high	118 Å²	118	73.6 Å²	73.6	55%	0.551	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.6	165.5	-67	178.8	-145.5	0	0	109.4	H20 L53 V62	H20-E65 IonicContact CD2-OE1 2.81Å; H20-E65 IonicContact CE1-OE1 2.75Å; H20-E65 IonicContact NE2-OE1 2.9Å; H20-E65 PolarHBondContact NE2-OE1 3.21Å; L53-E65 HydrophobicContact CD1-CG 3.65Å; V62-E65 HydrophobicContact CG1-CG 4.04Å
66	V	98.2	Very high	96.5	Very high	36 Å²	36	74.7 Å²	74.7	22%	0.218	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.4	-178	-177	0	0	0	0	109.3	A51 R52 K64	A51-V66 CarbonylContact C-O 3.56Å; A51-V66 WeakPolarHBondContact CA-O 3.46Å; R52-V66 HydrophobicContact CB-CB 4.13Å; R52-V66 PolarHBondContact N-O 2.69Å; R52-V66 PolarHBondContact O-N 3.11Å; K64-V66 HydrophobicContact CD-CG2 4.03Å; K64-V66 HydrophobicContact CG-CG2 4.02Å
67	N	98	Very high	96.3	Very high	102 Å²	102	77.6 Å²	77.6	55%	0.545	44%	0.441	S	S	.	.	S	Bend	trans	64.4	153.8	-172	-50.7	-40.6	0	0	0	113.8	K50	K50-N67 PolarHBondContact O-ND2 3.23Å
68	L	97	Very high	96.1	Very high	161 Å²	161	75.4 Å²	75.4	84%	0.843	43%	0.427	S	S	*	.			trans	-83.3	157.2	172.9	-61.3	176.9	0	0	0	111.2
69	H	98.2	Very high	95.9	Very high	50 Å²	50	73.4 Å²	73.4	23%	0.231	41%	0.407	C	S	.	.			trans	-70.6	140.8	169.2	-77	-86.9	0	0	0	111	H23 F25 C49 A51 H71	H23-H69 AromaticContact CD2-CE1 3.8Å; H23-H69 AromaticContact CD2-CG 3.78Å; H23-H69 AromaticContact CD2-ND1 3.6Å; H23-H69 AromaticContact CE1-CD2 3.55Å; H23-H69 AromaticContact CE1-CG 3.73Å; H23-H69 AromaticContact CG-CD2 3.8Å; H23-H69 AromaticContact CG-CE1 3.51Å; H23-H69 AromaticContact CG-CG 3.96Å; H23-H69 AromaticContact CG-ND1 3.79Å; H23-H69 AromaticContact CG-NE2 3.54Å; H23-H69 AromaticContact ND1-CD2 3.47Å; H23-H69 PolarHBondContact ND1-CD2 2.97Å; H23-H69 AromaticContact ND1-CE1 3.97Å; H23-H69 AromaticContact ND1-CG 3.95Å; H23-H69 AromaticContact ND1-NE2 3.54Å; H23-H69 AromaticContact NE2-CD2 3.87Å; H23-H69 AromaticContact NE2-CG 3.58Å; H23-H69 AromaticContact NE2-ND1 3.88Å; F25-H69 AromaticContact CE1-NE2 3.94Å; F25-H69 AromaticContact CZ-CE1 3.72Å; F25-H69 AromaticContact CZ-NE2 3.27Å; F25-H69 VanDerWaalsContact CZ-NE2 3.27Å; F25-H69 WeakPolarHBondContact CZ-NE2 3.2Å; C49-H69 PolarHBondContact SG-ND1 3.13Å; C49-H69 VanDerWaalsContact SG-ND1 3.44Å; A51-H69 VanDerWaalsContact CB-CE1 3.49Å; A51-H69 WeakPolarHBondContact CB-CE1 3.32Å; H69-H71 WeakPolarHBondContact CB-O 3.31Å; H69-H71 AromaticContact ND1-CE1 3.56Å; H69-H71 AromaticContact ND1-NE2 3.26Å; H69-H71 PolarHBondContact ND1-NE2 3.47Å; H69-H71 PolarHBondContact O-N 3.33Å
70	S	97.5	Very high	95.8	Very high	73 Å²	73	70.8 Å²	70.8	51%	0.51	39%	0.391	S	S	.	.	S	Bend	trans	-87.1	10.8	170.9	51.9	0	0	0	0	112.5	H47 C49	H47-S70 PolarHBondContact O-OG 3Å; C49-S70 WeakPolarHBondContact CA-OG 2.86Å; C49-S70 WeakPolarHBondContact CB-OG 3.37Å
71	H	97.8	Very high	95.7	Very high	31 Å²	31	68.2 Å²	68.2	14%	0.144	38%	0.38	C	S	.	.	S	Bend	trans	-153	155.2	-175	62.5	89.8	0	0	0	110.5	H23 C41 H47 H69	H23-H71 AromaticContact CD2-CE1 3.4Å; H23-H71 PolarHBondContact CD2-CE1 2.96Å; H23-H71 VanDerWaalsContact CD2-CE1 3.4Å; H23-H71 AromaticContact CD2-ND1 3.7Å; H23-H71 PolarHBondContact NE2-O 3.27Å; C41-H71 PolarHBondContact SG-NE2 3.34Å; H47-H71 HydrophobicContact CB-CB 4.26Å; H47-H71 AromaticContact CD2-CD2 3.54Å; H47-H71 AromaticContact CD2-CG 3.4Å; H47-H71 AromaticContact CG-CD2 3.87Å; H47-H71 AromaticContact CG-CG 3.93Å; H47-H71 AromaticContact NE2-CG 4Å; H69-H71 WeakPolarHBondContact CB-O 3.31Å; H69-H71 AromaticContact ND1-CE1 3.56Å; H69-H71 AromaticContact ND1-NE2 3.26Å; H69-H71 PolarHBondContact ND1-NE2 3.47Å; H69-H71 PolarHBondContact O-N 3.33Å
72	T	97.2	Very high	95.4	Very high	125 Å²	125	63.2 Å²	63.2	77%	0.767	36%	0.36	S	S	*	.			trans	-71.2	159.9	176.2	56.5	0	0	0	0	111.4
73	G	95.8	Very high	95.1	Very high	36 Å²	36	62 Å²	62	37%	0.371	35%	0.352	S	S	.	.			trans	-65.4	155.2	169.3	0	0	0	0	0	111.6	G22 H23	G22-G73 CarbonylContact O-C 3.55Å; G22-G73 WeakPolarHBondContact O-CA 3.43Å; H23-G73 WeakPolarHBondContact NE2-CA 3.41Å; H23-G73 PolarHBondContact NE2-N 3.09Å
74	D	94.6	Very high	94.8	Very high	65 Å²	65	59 Å²	59	35%	0.348	33%	0.333	S	S	.	.			trans	-133.5	89.9	178.9	-174.7	-12.8	0	0	0	110.1	G22 A76 R77 I78	G22-D74 PolarHBondContact O-N 2.94Å; D74-A76 VanDerWaalsContact C-N 3.33Å; D74-A76 PolarHBondContact O-N 3.43Å; D74-A76 PolarHBondContact OD1-N 2.91Å; D74-R77 HydrophobicContact CB-CB 3.91Å; D74-R77 PolarHBondContact O-N 3.23Å; D74-R77 WeakPolarHBondContact OD1-CB 3.31Å; D74-R77 PolarHBondContact OD1-N 2.94Å; D74-R77 WeakPolarHBondContact OD2-CB 3.39Å; D74-I78 WeakPolarHBondContact O-CG1 3.48Å; D74-I78 PolarHBondContact O-N 3.17Å; D74-I78 VanDerWaalsContact O-N 3.12Å
75	A	92.1	Very high	94.5	Very high	61 Å²	61	53.8 Å²	53.8	50%	0.504	31%	0.313	S	S	.	.	H	α-helix	trans	-61.2	-41.2	-179.7	0	0	0	0	0	112.1	R77 I78 E79	A75-R77 VanDerWaalsContact C-N 3.34Å; A75-R77 PolarHBondContact O-N 3.26Å; A75-I78 PolarHBondContact O-N 3.48Å; A75-E79 WeakPolarHBondContact O-CG 3.43Å; A75-E79 PolarHBondContact O-N 3.38Å
76	A	91.7	Very high	94.1	Very high	24 Å²	24	50.2 Å²	50.2	20%	0.198	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-42.9	-179.6	0	0	0	0	0	111	D74 I78 E79 V80 R116	D74-A76 VanDerWaalsContact C-N 3.33Å; D74-A76 PolarHBondContact O-N 3.43Å; D74-A76 PolarHBondContact OD1-N 2.91Å; A76-I78 VanDerWaalsContact C-N 3.35Å; A76-I78 PolarHBondContact O-N 3.39Å; A76-E79 PolarHBondContact O-N 3Å; A76-V80 WeakPolarHBondContact O-CG2 3.34Å; A76-V80 PolarHBondContact O-N 3.5Å; A76-R116 HydrophobicContact CB-CG 4.45Å
77	R	93.1	Very high	93.9	Very high	76 Å²	76	48.7 Å²	48.7	29%	0.287	29%	0.294	S	S	.	.	H	α-helix	trans	-63.2	-39.8	174.9	174.2	-173.1	163.7	135.9	-6	112.5	M24 D42 Q43 D74 A75 E79 V80 A81	M24-R77 HydrophobicContact CE-CG 3.7Å; D42-R77 IonicContact OD1-CZ 3.77Å; D42-R77 IonicContact OD1-NH2 3.96Å; D42-R77 PolarHBondContact OD1-NH2 3.48Å; D42-R77 IonicContact OD2-CZ 3.87Å; D42-R77 IonicContact OD2-NH2 2.99Å; D42-R77 PolarHBondContact OD2-NH2 3.12Å; Q43-R77 VanDerWaalsContact CD-CZ 3.41Å; Q43-R77 VanDerWaalsContact NE2-CZ 3.28Å; D74-R77 HydrophobicContact CB-CB 3.91Å; D74-R77 PolarHBondContact O-N 3.23Å; D74-R77 WeakPolarHBondContact OD1-CB 3.31Å; D74-R77 PolarHBondContact OD1-N 2.94Å; D74-R77 WeakPolarHBondContact OD2-CB 3.39Å; A75-R77 VanDerWaalsContact C-N 3.34Å; A75-R77 PolarHBondContact O-N 3.26Å; R77-E79 VanDerWaalsContact C-N 3.31Å; R77-V80 PolarHBondContact O-N 3.3Å; R77-A81 WeakPolarHBondContact O-CB 3.42Å; R77-A81 PolarHBondContact O-N 3.46Å
78	I	93.4	Very high	93.6	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-42	176.1	-65.5	167.3	0	0	0	110.3	R6 I19 G22 M24 D74 A75 A76 A81 A82	R6-I78 VanDerWaalsContact NH1-CG2 3.35Å; I19-I78 HydrophobicContact CD1-CG2 3.49Å; I19-I78 VanDerWaalsContact CD1-CG2 3.49Å; I19-I78 HydrophobicContact CG1-CG2 3.87Å; I19-I78 HydrophobicContact CG2-CD1 3.9Å; I19-I78 HydrophobicContact CG2-CG2 4.1Å; G22-I78 WeakPolarHBondContact O-CD1 3.48Å; M24-I78 HydrophobicContact CE-CG1 4.3Å; M24-I78 HydrophobicContact CG-CG1 3.98Å; M24-I78 HydrophobicContact SD-CG1 4.45Å; D74-I78 WeakPolarHBondContact O-CG1 3.48Å; D74-I78 PolarHBondContact O-N 3.17Å; D74-I78 VanDerWaalsContact O-N 3.12Å; A75-I78 PolarHBondContact O-N 3.48Å; A76-I78 VanDerWaalsContact C-N 3.35Å; A76-I78 PolarHBondContact O-N 3.39Å; I78-A81 WeakPolarHBondContact O-CB 3.44Å; I78-A81 PolarHBondContact O-N 3.03Å; I78-A82 WeakPolarHBondContact O-CB 3.26Å; I78-A82 PolarHBondContact O-N 3.36Å
79	E	92.1	Very high	93.2	Very high	64 Å²	64	42.9 Å²	42.9	30%	0.299	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-47.1	177.1	-72.5	177.1	178	0	0	111.6	A75 A76 R77 A81 A82 V83 V113	A75-E79 WeakPolarHBondContact O-CG 3.43Å; A75-E79 PolarHBondContact O-N 3.38Å; A76-E79 PolarHBondContact O-N 3Å; R77-E79 VanDerWaalsContact C-N 3.31Å; E79-A81 VanDerWaalsContact C-N 3.27Å; E79-A81 PolarHBondContact O-N 3.26Å; E79-A82 WeakPolarHBondContact O-CB 3.4Å; E79-A82 PolarHBondContact O-N 3.29Å; E79-A82 VanDerWaalsContact O-N 3.09Å; E79-V83 VanDerWaalsContact O-CG2 3.26Å; E79-V83 WeakPolarHBondContact O-CG2 3.47Å; E79-V83 PolarHBondContact O-N 2.94Å; E79-V113 HydrophobicContact CB-CG1 4.11Å; E79-V113 HydrophobicContact CB-CG2 3.93Å; E79-V113 WeakPolarHBondContact OE2-CG2 3.37Å
80	V	92.6	Very high	93	Very high	15 Å²	15	44.6 Å²	44.6	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-54.5	-45.1	172.2	171.9	0	0	0	0	110.9	A76 R77 A82 V83 L84 V113 R116 M117	A76-V80 WeakPolarHBondContact O-CG2 3.34Å; A76-V80 PolarHBondContact O-N 3.5Å; R77-V80 PolarHBondContact O-N 3.3Å; V80-A82 PolarHBondContact O-N 2.93Å; V80-V83 PolarHBondContact O-N 3.42Å; V80-L84 HydrophobicContact CG1-CD1 3.71Å; V80-L84 HydrophobicContact CG1-CG 4.31Å; V80-L84 WeakPolarHBondContact O-CB 3.2Å; V80-L84 WeakPolarHBondContact O-CG 3.49Å; V80-L84 PolarHBondContact O-N 3.45Å; V80-V113 HydrophobicContact CG2-CG1 3.66Å; V80-R116 HydrophobicContact CG2-CB 3.73Å; V80-M117 HydrophobicContact CB-SD 4.36Å; V80-M117 HydrophobicContact CG1-SD 4.02Å; V80-M117 HydrophobicContact CG2-SD 4.09Å
81	A	92.3	Very high	92.8	Very high	24 Å²	24	41.2 Å²	41.2	20%	0.198	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-41.8	178.1	0	0	0	0	0	112.3	L9 M24 R77 I78 E79 L84 A85	L9-A81 HydrophobicContact CD1-CB 4.41Å; L9-A81 HydrophobicContact CD2-CB 4.23Å; L9-A81 VanDerWaalsContact CD2-O 3.31Å; L9-A81 WeakPolarHBondContact CD2-O 3.41Å; M24-A81 HydrophobicContact CE-CB 4.21Å; M24-A81 HydrophobicContact SD-CB 3.81Å; R77-A81 WeakPolarHBondContact O-CB 3.42Å; R77-A81 PolarHBondContact O-N 3.46Å; I78-A81 WeakPolarHBondContact O-CB 3.44Å; I78-A81 PolarHBondContact O-N 3.03Å; E79-A81 VanDerWaalsContact C-N 3.27Å; E79-A81 PolarHBondContact O-N 3.26Å; A81-L84 PolarHBondContact O-N 3.32Å; A81-A85 WeakPolarHBondContact O-CB 2.99Å; A81-A85 PolarHBondContact O-N 3.49Å
82	A	90.6	Very high	92.6	Very high	17 Å²	17	43.3 Å²	43.3	14%	0.14	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-44.1	177.9	0	0	0	0	0	112.1	R6 L9 I78 E79 V80 L84 A85 A86	R6-A82 HydrophobicContact CG-CB 4.27Å; L9-A82 HydrophobicContact CD2-CB 4.42Å; I78-A82 WeakPolarHBondContact O-CB 3.26Å; I78-A82 PolarHBondContact O-N 3.36Å; E79-A82 WeakPolarHBondContact O-CB 3.4Å; E79-A82 PolarHBondContact O-N 3.29Å; E79-A82 VanDerWaalsContact O-N 3.09Å; V80-A82 PolarHBondContact O-N 2.93Å; A82-L84 PolarHBondContact O-N 2.83Å; A82-A85 PolarHBondContact O-N 3.46Å; A82-A86 PolarHBondContact O-N 3.17Å
83	V	91.3	Very high	92.4	Very high	19 Å²	19	44.9 Å²	44.9	12%	0.115	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-47.6	176	176.5	0	0	0	0	110.9	E79 V80 A85 A86 V87 A105 L109 M117	E79-V83 VanDerWaalsContact O-CG2 3.26Å; E79-V83 WeakPolarHBondContact O-CG2 3.47Å; E79-V83 PolarHBondContact O-N 2.94Å; V80-V83 PolarHBondContact O-N 3.42Å; V83-A85 VanDerWaalsContact C-N 3.26Å; V83-A85 PolarHBondContact O-N 3.01Å; V83-A86 WeakPolarHBondContact O-CB 3.43Å; V83-A86 PolarHBondContact O-N 2.84Å; V83-A86 VanDerWaalsContact O-N 3.13Å; V83-V87 HydrophobicContact CG1-CG2 4.43Å; V83-V87 WeakPolarHBondContact O-CG2 3.43Å; V83-V87 PolarHBondContact O-N 3.11Å; V83-A105 HydrophobicContact CG1-CB 4.09Å; V83-L109 HydrophobicContact CB-CD2 4.46Å; V83-L109 HydrophobicContact CG1-CD1 4.14Å; V83-L109 HydrophobicContact CG2-CD1 4.26Å; V83-L109 HydrophobicContact CG2-CD2 3.23Å; V83-L109 HydrophobicContact CG2-CG 4.26Å; V83-M117 HydrophobicContact CB-CE 4.36Å; V83-M117 HydrophobicContact CB-SD 4.43Å; V83-M117 HydrophobicContact CG1-CE 3.61Å; V83-M117 HydrophobicContact CG1-SD 4.22Å
84	L	92	Very high	92.4	Very high	17 Å²	17	45 Å²	45	9%	0.089	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-31.9	-179.3	-71.8	176.2	0	0	0	112.5	V80 A81 A82 K88 M117 P118 I123 R126	V80-L84 HydrophobicContact CG1-CD1 3.71Å; V80-L84 HydrophobicContact CG1-CG 4.31Å; V80-L84 WeakPolarHBondContact O-CB 3.2Å; V80-L84 WeakPolarHBondContact O-CG 3.49Å; V80-L84 PolarHBondContact O-N 3.45Å; A81-L84 PolarHBondContact O-N 3.32Å; A82-L84 PolarHBondContact O-N 2.83Å; L84-K88 WeakPolarHBondContact O-CB 3.18Å; L84-K88 PolarHBondContact O-N 3.1Å; L84-M117 HydrophobicContact CD2-CE 4.18Å; L84-P118 HydrophobicContact CD1-CG 3.75Å; L84-P118 HydrophobicContact CD2-CG 4.28Å; L84-I123 HydrophobicContact CD2-CD1 4.23Å; L84-I123 HydrophobicContact CD2-CG1 4.05Å; L84-I123 HydrophobicContact CD2-CG2 4.45Å; L84-R126 VanDerWaalsContact CB-NH1 3.33Å; L84-R126 VanDerWaalsContact CD1-NH1 3.32Å
85	A	90.8	Very high	92.3	Very high	11 Å²	11	52 Å²	52	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-69.5	-41.6	171.3	0	0	0	0	0	111.7	A7 L9 A81 A82 V83 K88 H89	A7-A85 HydrophobicContact CB-CB 4.09Å; L9-A85 HydrophobicContact CD2-CB 3.51Å; A81-A85 WeakPolarHBondContact O-CB 2.99Å; A81-A85 PolarHBondContact O-N 3.49Å; A82-A85 PolarHBondContact O-N 3.46Å; V83-A85 VanDerWaalsContact C-N 3.26Å; V83-A85 PolarHBondContact O-N 3.01Å; A85-K88 PolarHBondContact O-N 3.31Å; A85-H89 WeakPolarHBondContact O-CB 3.37Å; A85-H89 PolarHBondContact O-N 2.89Å
86	A	90.3	Very high	92.5	Very high	44 Å²	44	52.6 Å²	52.6	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-62.9	-42.8	174.9	0	0	0	0	0	112	A7 A82 V83 K88 H89 R90	A7-A86 HydrophobicContact CB-CB 4.13Å; A82-A86 PolarHBondContact O-N 3.17Å; V83-A86 WeakPolarHBondContact O-CB 3.43Å; V83-A86 PolarHBondContact O-N 2.84Å; V83-A86 VanDerWaalsContact O-N 3.13Å; A86-K88 PolarHBondContact O-N 3.18Å; A86-H89 PolarHBondContact O-N 3.26Å; A86-R90 WeakPolarHBondContact O-CB 3.05Å; A86-R90 PolarHBondContact O-N 2.95Å
87	V	92.6	Very high	92.8	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-58.9	-47	172.9	167.5	0	0	0	0	110.9	V83 A91 I101 A105 I123 I127	V83-V87 HydrophobicContact CG1-CG2 4.43Å; V83-V87 WeakPolarHBondContact O-CG2 3.43Å; V83-V87 PolarHBondContact O-N 3.11Å; V87-A91 VanDerWaalsContact O-CB 3.31Å; V87-A91 WeakPolarHBondContact O-CB 3.11Å; V87-A91 PolarHBondContact O-N 3.09Å; V87-I101 HydrophobicContact CB-CG2 4.34Å; V87-I101 HydrophobicContact CG1-CG2 3.89Å; V87-I101 HydrophobicContact CG2-CG2 4.31Å; V87-A105 HydrophobicContact CG2-CB 3.46Å; V87-A105 VanDerWaalsContact CG2-CB 3.46Å; V87-I123 HydrophobicContact CG1-CG2 3.78Å; V87-I127 HydrophobicContact CG1-CD1 3.95Å; V87-I127 HydrophobicContact CG1-CG1 3.74Å
88	K	91.9	Very high	92.9	Very high	41 Å²	41	53.2 Å²	53.2	18%	0.178	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-50.1	176.7	177.2	177.6	171	-177.1	0	110.5	V10 N14 L84 A85 A86 R90 A91 E92 T130	V10-K88 HydrophobicContact CG2-CD 4.18Å; N14-K88 PolarHBondContact OD1-NZ 2.93Å; L84-K88 WeakPolarHBondContact O-CB 3.18Å; L84-K88 PolarHBondContact O-N 3.1Å; A85-K88 PolarHBondContact O-N 3.31Å; A86-K88 PolarHBondContact O-N 3.18Å; K88-R90 PolarHBondContact O-N 3.1Å; K88-A91 WeakPolarHBondContact O-CB 3.47Å; K88-A91 PolarHBondContact O-N 2.9Å; K88-E92 WeakPolarHBondContact CE-OE1 3.46Å; K88-E92 WeakPolarHBondContact O-CG 3.37Å; K88-E92 PolarHBondContact O-N 3.46Å; K88-T130 HydrophobicContact CG-CG2 4.03Å
89	H	90.3	Very high	93	Very high	100 Å²	100	55.8 Å²	55.8	46%	0.463	29%	0.291	S	S	.	.	H	α-helix	trans	-60.1	-45.7	-179.3	-177.4	61.7	0	0	0	112.5	A85 A86 A91 E92 K93	A85-H89 WeakPolarHBondContact O-CB 3.37Å; A85-H89 PolarHBondContact O-N 2.89Å; A86-H89 PolarHBondContact O-N 3.26Å; H89-A91 VanDerWaalsContact C-N 3.34Å; H89-A91 PolarHBondContact O-N 2.83Å; H89-E92 WeakPolarHBondContact O-CB 3.49Å; H89-E92 PolarHBondContact O-N 3.13Å; H89-K93 WeakPolarHBondContact O-CG 3.23Å; H89-K93 PolarHBondContact O-N 3.2Å; H89-K93 VanDerWaalsContact O-N 3.1Å
90	R	92.5	Very high	93.2	Very high	87 Å²	87	57.5 Å²	57.5	33%	0.328	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-42.5	175	-178.8	169.6	-90	147.7	-6.9	111.4	A86 K88 E92 K93 T94 E96 I101	A86-R90 WeakPolarHBondContact O-CB 3.05Å; A86-R90 PolarHBondContact O-N 2.95Å; K88-R90 PolarHBondContact O-N 3.1Å; R90-E92 VanDerWaalsContact C-N 3.26Å; R90-E92 PolarHBondContact O-N 2.87Å; R90-K93 PolarHBondContact O-N 3.22Å; R90-K93 VanDerWaalsContact O-N 3.11Å; R90-T94 HydrophobicContact CG-CG2 3.97Å; R90-T94 PolarHBondContact O-N 3.49Å; R90-T94 PolarHBondContact O-OG1 2.9Å; R90-T94 VanDerWaalsContact O-OG1 3.1Å; R90-E96 WeakPolarHBondContact CD-OE2 3.4Å; R90-E96 VanDerWaalsContact CG-OE2 3.27Å; R90-E96 WeakPolarHBondContact CG-OE2 3.38Å; R90-E96 IonicContact NE-OE2 3.49Å; R90-I101 HydrophobicContact CB-CG2 4.47Å; R90-I101 HydrophobicContact CG-CD1 4.28Å; R90-I101 HydrophobicContact CG-CG1 4.06Å; R90-I101 HydrophobicContact CG-CG2 4.37Å
91	A	94	Very high	93.3	Very high	2 Å²	2	56.8 Å²	56.8	2%	0.017	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-30.5	176.2	0	0	0	0	0	113.8	V87 K88 H89 I101 I127 T130 R131	V87-A91 VanDerWaalsContact O-CB 3.31Å; V87-A91 WeakPolarHBondContact O-CB 3.11Å; V87-A91 PolarHBondContact O-N 3.09Å; K88-A91 WeakPolarHBondContact O-CB 3.47Å; K88-A91 PolarHBondContact O-N 2.9Å; H89-A91 VanDerWaalsContact C-N 3.34Å; H89-A91 PolarHBondContact O-N 2.83Å; A91-I101 HydrophobicContact CB-CD1 4.23Å; A91-I127 HydrophobicContact CB-CB 4.21Å; A91-I127 HydrophobicContact CB-CG1 4.16Å; A91-I127 HydrophobicContact CB-CG2 3.83Å; A91-T130 HydrophobicContact CB-CG2 4.16Å; A91-R131 VanDerWaalsContact O-CG 3.28Å; A91-R131 WeakPolarHBondContact O-CG 3.45Å; A91-R131 PolarHBondContact O-NE 3.09Å
92	E	93	Very high	93.3	Very high	74 Å²	74	56.4 Å²	56.4	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-71.5	-38	173.2	-67	167	180	0	0	111.9	K88 H89 R90 T130 V134	K88-E92 WeakPolarHBondContact CE-OE1 3.46Å; K88-E92 WeakPolarHBondContact O-CG 3.37Å; K88-E92 PolarHBondContact O-N 3.46Å; H89-E92 WeakPolarHBondContact O-CB 3.49Å; H89-E92 PolarHBondContact O-N 3.13Å; R90-E92 VanDerWaalsContact C-N 3.26Å; R90-E92 PolarHBondContact O-N 2.87Å; E92-T130 HydrophobicContact CB-CG2 4.36Å; E92-T130 HydrophobicContact CG-CG2 3.23Å; E92-V134 HydrophobicContact CB-CG2 4.2Å; E92-V134 HydrophobicContact CG-CG2 3.99Å
93	K	92.9	Very high	93.4	Very high	158 Å²	158	60.9 Å²	60.9	69%	0.687	31%	0.314	S	S	*	.	H	α-helix	trans	-94.2	-19.4	-171.1	-64.3	-63.2	-177.2	-179.6	0	114.5	H89 R90	H89-K93 WeakPolarHBondContact O-CG 3.23Å; H89-K93 PolarHBondContact O-N 3.2Å; H89-K93 VanDerWaalsContact O-N 3.1Å; R90-K93 PolarHBondContact O-N 3.22Å; R90-K93 VanDerWaalsContact O-N 3.11Å
94	T	95.4	Very high	93.4	Very high	39 Å²	39	63.9 Å²	63.9	24%	0.239	33%	0.326	C	S	.	.			trans	-127.4	155.7	-172.9	82.5	0	0	0	0	113	R90 E96 R131	R90-T94 HydrophobicContact CG-CG2 3.97Å; R90-T94 PolarHBondContact O-N 3.49Å; R90-T94 PolarHBondContact O-OG1 2.9Å; R90-T94 VanDerWaalsContact O-OG1 3.1Å; T94-E96 WeakPolarHBondContact OG1-CG 3.15Å; T94-E96 PolarHBondContact OG1-N 3.34Å; T94-E96 PolarHBondContact OG1-OE2 3.1Å; T94-R131 PolarHBondContact O-NE 3.37Å; T94-R131 PolarHBondContact O-NH2 3.32Å
95	K	94.5	Very high	93.3	Very high	211 Å²	211	63.8 Å²	63.8	92%	0.917	33%	0.328	S	S	*	.			trans	-95.6	10.3	171.3	-63.1	-176.5	-177.2	176.8	0	113.1
96	E	96	Very high	93.2	Very high	74 Å²	74	65.6 Å²	65.6	35%	0.346	33%	0.333	S	S	.	.			trans	-55.1	152.8	-179.2	-66.5	163.4	151.7	0	0	112	R90 T94 L100 I101 R131	R90-E96 WeakPolarHBondContact CD-OE2 3.4Å; R90-E96 VanDerWaalsContact CG-OE2 3.27Å; R90-E96 WeakPolarHBondContact CG-OE2 3.38Å; R90-E96 IonicContact NE-OE2 3.49Å; T94-E96 WeakPolarHBondContact OG1-CG 3.15Å; T94-E96 PolarHBondContact OG1-N 3.34Å; T94-E96 PolarHBondContact OG1-OE2 3.1Å; E96-L100 HydrophobicContact CB-CB 4.35Å; E96-I101 HydrophobicContact CB-CD1 4.34Å; E96-I101 HydrophobicContact CB-CG1 3.93Å; E96-R131 VanDerWaalsContact O-CZ 3.24Å; E96-R131 PolarHBondContact O-NH1 3.1Å; E96-R131 PolarHBondContact O-NH2 3.14Å
97	T	96.4	Very high	93.1	Very high	77 Å²	77	72.8 Å²	72.8	47%	0.472	35%	0.351	S	S	.	.			trans	-65.9	150.6	176	66.7	0	0	0	0	110.3	A99 L100 I101	T97-A99 PolarHBondContact O-N 3.1Å; T97-A99 VanDerWaalsContact O-N 3.16Å; T97-L100 PolarHBondContact O-N 3.03Å; T97-L100 WeakPolarHBondContact OG1-CG 3.49Å; T97-L100 PolarHBondContact OG1-N 3.44Å; T97-I101 PolarHBondContact O-N 2.95Å; T97-I101 VanDerWaalsContact O-N 3.13Å
98	P	95.9	Very high	92.5	Very high	37 Å²	37	77.5 Å²	77.5	24%	0.24	38%	0.384	C	S	.	.	H	α-helix	trans	-54.4	-34.5	175.2	-27.2	35.3	0	0	0	113.1	I101 L102 V124 I127	P98-I101 PolarHBondContact O-N 3Å; P98-L102 WeakPolarHBondContact O-CB 3.31Å; P98-L102 WeakPolarHBondContact O-CG 3.37Å; P98-L102 PolarHBondContact O-N 3.46Å; P98-V124 HydrophobicContact CB-CG1 4.14Å; P98-V124 HydrophobicContact CB-CG2 4.03Å; P98-V124 HydrophobicContact CG-CG1 4.31Å; P98-I127 HydrophobicContact CB-CD1 4.03Å; P98-I127 HydrophobicContact CG-CG2 4.35Å
99	A	95.6	Very high	92.3	Very high	57 Å²	57	76.2 Å²	76.2	47%	0.471	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-44.6	175.8	0	0	0	0	0	112.3	T97 L102 N103	T97-A99 PolarHBondContact O-N 3.1Å; T97-A99 VanDerWaalsContact O-N 3.16Å; A99-L102 PolarHBondContact O-N 2.99Å; A99-N103 WeakPolarHBondContact O-CB 3.46Å; A99-N103 PolarHBondContact O-N 3.43Å; A99-N103 PolarHBondContact O-ND2 3.1Å
100	L	96	Very high	92.1	Very high	100 Å²	100	74.7 Å²	74.7	52%	0.524	38%	0.378	S	S	.	.	H	α-helix	trans	-64.7	-45.5	177	-72.4	174.6	0	0	0	111.9	E96 T97 L102 N103 E104	E96-L100 HydrophobicContact CB-CB 4.35Å; T97-L100 PolarHBondContact O-N 3.03Å; T97-L100 WeakPolarHBondContact OG1-CG 3.49Å; T97-L100 PolarHBondContact OG1-N 3.44Å; L100-L102 VanDerWaalsContact C-N 3.29Å; L100-L102 PolarHBondContact O-N 3.26Å; L100-N103 PolarHBondContact O-N 3.24Å; L100-E104 WeakPolarHBondContact O-CB 3.44Å; L100-E104 PolarHBondContact O-N 3.08Å
101	I	95.4	Very high	91.8	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-59.5	-43.1	177.5	-62.9	179.4	0	0	0	110.8	V87 R90 A91 E96 T97 P98 A105 I127	V87-I101 HydrophobicContact CB-CG2 4.34Å; V87-I101 HydrophobicContact CG1-CG2 3.89Å; V87-I101 HydrophobicContact CG2-CG2 4.31Å; R90-I101 HydrophobicContact CB-CG2 4.47Å; R90-I101 HydrophobicContact CG-CD1 4.28Å; R90-I101 HydrophobicContact CG-CG1 4.06Å; R90-I101 HydrophobicContact CG-CG2 4.37Å; A91-I101 HydrophobicContact CB-CD1 4.23Å; E96-I101 HydrophobicContact CB-CD1 4.34Å; E96-I101 HydrophobicContact CB-CG1 3.93Å; T97-I101 PolarHBondContact O-N 2.95Å; T97-I101 VanDerWaalsContact O-N 3.13Å; P98-I101 PolarHBondContact O-N 3Å; I101-A105 VanDerWaalsContact O-CB 3.29Å; I101-A105 WeakPolarHBondContact O-CB 3.11Å; I101-A105 PolarHBondContact O-N 3.09Å; I101-I127 HydrophobicContact CB-CD1 4.13Å; I101-I127 HydrophobicContact CD1-CD1 4.41Å; I101-I127 HydrophobicContact CD1-CG2 4.24Å; I101-I127 HydrophobicContact CG2-CD1 3.98Å
102	L	93	Very high	91.4	Very high	17 Å²	17	79.9 Å²	79.9	9%	0.089	43%	0.427	C	S	.	.	H	α-helix	trans	-66.6	-50.3	177.6	-74.6	170.6	0	0	0	111.7	P98 A99 L100 E104 A105 Y106 I123 V124	P98-L102 WeakPolarHBondContact O-CB 3.31Å; P98-L102 WeakPolarHBondContact O-CG 3.37Å; P98-L102 PolarHBondContact O-N 3.46Å; A99-L102 PolarHBondContact O-N 2.99Å; L100-L102 VanDerWaalsContact C-N 3.29Å; L100-L102 PolarHBondContact O-N 3.26Å; L102-E104 PolarHBondContact O-N 3.42Å; L102-A105 PolarHBondContact O-N 3.23Å; L102-Y106 HydrophobicContact CD2-CE2 4.02Å; L102-Y106 VanDerWaalsContact O-CD2 3.22Å; L102-Y106 WeakPolarHBondContact O-CD2 3.32Å; L102-Y106 PolarHBondContact O-N 3.13Å; L102-I123 HydrophobicContact CD2-CB 3.85Å; L102-I123 HydrophobicContact CD2-CD1 3.99Å; L102-I123 HydrophobicContact CD2-CG2 3.45Å; L102-I123 VanDerWaalsContact CD2-CG2 3.45Å; L102-V124 HydrophobicContact CD1-CG2 3.81Å
103	N	92.5	Very high	91.3	Very high	111 Å²	111	76.4 Å²	76.4	59%	0.594	41%	0.411	S	S	*	.	H	α-helix	trans	-55	-43.6	-179.4	-75.4	-14.8	0	0	0	111.2	A99 L100 Y106 R107	A99-N103 WeakPolarHBondContact O-CB 3.46Å; A99-N103 PolarHBondContact O-N 3.43Å; A99-N103 PolarHBondContact O-ND2 3.1Å; L100-N103 PolarHBondContact O-N 3.24Å; N103-Y106 PolarHBondContact O-N 3.41Å; N103-R107 PolarHBondContact O-N 2.91Å
104	E	91.4	Very high	91.2	Very high	81 Å²	81	74.6 Å²	74.6	38%	0.379	40%	0.4	S	S	.	.	H	α-helix	trans	-68.3	-42	177.6	-173.5	55.1	-158.4	0	0	112.3	L100 L102 Y106 R107	L100-E104 WeakPolarHBondContact O-CB 3.44Å; L100-E104 PolarHBondContact O-N 3.08Å; L102-E104 PolarHBondContact O-N 3.42Å; E104-Y106 PolarHBondContact O-N 2.99Å; E104-R107 WeakPolarHBondContact O-CB 3.37Å; E104-R107 PolarHBondContact O-N 2.83Å
105	A	89.2	Confident	91	Very high	16 Å²	16	76.2 Å²	76.2	13%	0.132	43%	0.425	C	S	.	.	H	α-helix	trans	-61.9	-30.9	176.1	0	0	0	0	0	113.2	V83 V87 I101 L102 L109	V83-A105 HydrophobicContact CG1-CB 4.09Å; V87-A105 HydrophobicContact CG2-CB 3.46Å; V87-A105 VanDerWaalsContact CG2-CB 3.46Å; I101-A105 VanDerWaalsContact O-CB 3.29Å; I101-A105 WeakPolarHBondContact O-CB 3.11Å; I101-A105 PolarHBondContact O-N 3.09Å; L102-A105 PolarHBondContact O-N 3.23Å; A105-L109 VanDerWaalsContact O-CD1 3.32Å; A105-L109 WeakPolarHBondContact O-CD1 3.39Å; A105-L109 VanDerWaalsContact O-CG 3.27Å; A105-L109 WeakPolarHBondContact O-CG 3.21Å
106	Y	89	Confident	90.9	Very high	48 Å²	48	74.3 Å²	74.3	19%	0.188	41%	0.412	C	S	.	.	H	α-helix	trans	-87.5	-18.5	179.8	-82.9	-102.3	0	0	0	113.9	L102 N103 E104 S108 L109 R114 M117 I123	L102-Y106 HydrophobicContact CD2-CE2 4.02Å; L102-Y106 VanDerWaalsContact O-CD2 3.22Å; L102-Y106 WeakPolarHBondContact O-CD2 3.32Å; L102-Y106 PolarHBondContact O-N 3.13Å; N103-Y106 PolarHBondContact O-N 3.41Å; E104-Y106 PolarHBondContact O-N 2.99Å; Y106-S108 VanDerWaalsContact C-N 3.33Å; Y106-S108 PolarHBondContact O-N 2.96Å; Y106-L109 HydrophobicContact CD1-CD1 4.14Å; Y106-L109 HydrophobicContact CG-CD1 4.19Å; Y106-L109 PolarHBondContact O-N 2.71Å; Y106-R114 HydrophobicContact CD1-CG 4.43Å; Y106-M117 HydrophobicContact CE1-CB 4.42Å; Y106-M117 HydrophobicContact CE1-CG 4.2Å; Y106-M117 HydrophobicContact CE2-CE 4.1Å; Y106-M117 WeakPolarHBondContact OH-CB 3.27Å; Y106-I123 HydrophobicContact CE2-CD1 4.28Å
107	R	87.9	Confident	90.8	Very high	195 Å²	195	71.9 Å²	71.9	74%	0.736	40%	0.4	S	S	*	.	H	α-helix	trans	-55.8	-43.5	-172.1	-164.9	178.7	-162.2	115.1	5.5	113.2	N103 E104	N103-R107 PolarHBondContact O-N 2.91Å; E104-R107 WeakPolarHBondContact O-CB 3.37Å; E104-R107 PolarHBondContact O-N 2.83Å
108	S	80.1	Confident	90.6	Very high	103 Å²	103	70 Å²	70	72%	0.72	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	11.4	-176.6	55.9	0	0	0	0	114	Y106 P110	Y106-S108 VanDerWaalsContact C-N 3.33Å; Y106-S108 PolarHBondContact O-N 2.96Å; S108-P110 WeakPolarHBondContact O-CD 3.41Å
109	L	86.5	Confident	90.5	Very high	14 Å²	14	73.2 Å²	73.2	7%	0.073	41%	0.405	C	S	.	.			trans	-79.9	128.1	-174.9	-73.4	176.2	0	0	0	113.6	V83 A105 Y106 V113 R114 M117	V83-L109 HydrophobicContact CB-CD2 4.46Å; V83-L109 HydrophobicContact CG1-CD1 4.14Å; V83-L109 HydrophobicContact CG2-CD1 4.26Å; V83-L109 HydrophobicContact CG2-CD2 3.23Å; V83-L109 HydrophobicContact CG2-CG 4.26Å; A105-L109 VanDerWaalsContact O-CD1 3.32Å; A105-L109 WeakPolarHBondContact O-CD1 3.39Å; A105-L109 VanDerWaalsContact O-CG 3.27Å; A105-L109 WeakPolarHBondContact O-CG 3.21Å; Y106-L109 HydrophobicContact CD1-CD1 4.14Å; Y106-L109 HydrophobicContact CG-CD1 4.19Å; Y106-L109 PolarHBondContact O-N 2.71Å; L109-V113 HydrophobicContact CD2-CG1 4.09Å; L109-R114 HydrophobicContact CB-CG 3.89Å; L109-R114 PolarHBondContact O-NE 2.95Å; L109-R114 PolarHBondContact O-NH2 3.21Å; L109-M117 HydrophobicContact CD1-CE 4.4Å; L109-M117 HydrophobicContact CD1-CG 4.34Å; L109-M117 HydrophobicContact CD1-SD 4.29Å
110	P	87.1	Confident	90.4	Very high	68 Å²	68	77.1 Å²	77.1	44%	0.442	41%	0.411	S	S	.	.			trans	-55.9	143.5	167.3	-20.9	31.3	0	0	0	111	S108 A112 V113 R114	S108-P110 WeakPolarHBondContact O-CD 3.41Å; P110-A112 PolarHBondContact O-N 3.04Å; P110-V113 HydrophobicContact CB-CG2 4.08Å; P110-V113 HydrophobicContact CG-CG2 4.13Å; P110-V113 WeakPolarHBondContact O-CB 3.36Å; P110-V113 PolarHBondContact O-N 3.1Å; P110-R114 PolarHBondContact O-N 3.49Å
111	V	86.5	Confident	90.4	Very high	119 Å²	119	75.2 Å²	75.2	72%	0.721	41%	0.406	S	S	*	.	H	α-helix	trans	-56.1	-39.9	-178.2	177.4	0	0	0	0	111.5	V113 R114 G115	V111-V113 PolarHBondContact O-N 2.9Å; V111-R114 PolarHBondContact O-N 3.42Å; V111-R114 VanDerWaalsContact O-N 3.14Å; V111-G115 PolarHBondContact O-N 3.11Å
112	A	85.9	Confident	90.3	Very high	79 Å²	79	77 Å²	77	65%	0.653	42%	0.421	S	S	*	.	H	α-helix	trans	-58.4	-31.8	177.5	0	0	0	0	0	113.5	P110	P110-A112 PolarHBondContact O-N 3.04Å
113	V	90.7	Very high	90.4	Very high	1 Å²	1	76.2 Å²	76.2	1%	0.006	42%	0.417	C	S	.	.	H	α-helix	trans	-80.2	-36.9	178.3	-174.4	0	0	0	0	111	E79 V80 L109 P110 V111 G115 R116 M117	E79-V113 HydrophobicContact CB-CG1 4.11Å; E79-V113 HydrophobicContact CB-CG2 3.93Å; E79-V113 WeakPolarHBondContact OE2-CG2 3.37Å; V80-V113 HydrophobicContact CG2-CG1 3.66Å; L109-V113 HydrophobicContact CD2-CG1 4.09Å; P110-V113 HydrophobicContact CB-CG2 4.08Å; P110-V113 HydrophobicContact CG-CG2 4.13Å; P110-V113 WeakPolarHBondContact O-CB 3.36Å; P110-V113 PolarHBondContact O-N 3.1Å; V111-V113 PolarHBondContact O-N 2.9Å; V113-G115 VanDerWaalsContact C-N 3.28Å; V113-G115 PolarHBondContact O-N 3.39Å; V113-R116 CarbonylContact O-C 3.53Å; V113-R116 WeakPolarHBondContact O-CA 3.49Å; V113-R116 WeakPolarHBondContact O-CB 3.45Å; V113-R116 PolarHBondContact O-N 2.81Å; V113-M117 PolarHBondContact O-N 3.06Å
114	R	89.8	Confident	90.6	Very high	119 Å²	119	72.8 Å²	72.8	45%	0.449	40%	0.4	S	S	.	.	H	α-helix	trans	-57.4	-41.8	-178	-65.7	-178.4	-169.1	-173.1	-0.7	111.9	Y106 L109 P110 V111 R116 M117	Y106-R114 HydrophobicContact CD1-CG 4.43Å; L109-R114 HydrophobicContact CB-CG 3.89Å; L109-R114 PolarHBondContact O-NE 2.95Å; L109-R114 PolarHBondContact O-NH2 3.21Å; P110-R114 PolarHBondContact O-N 3.49Å; V111-R114 PolarHBondContact O-N 3.42Å; V111-R114 VanDerWaalsContact O-N 3.14Å; R114-R116 PolarHBondContact O-N 3.04Å; R114-M117 WeakPolarHBondContact O-CB 3.47Å; R114-M117 PolarHBondContact O-N 3.26Å
115	G	91.1	Very high	90.8	Very high	74 Å²	74	74.8 Å²	74.8	76%	0.763	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.2	176.6	0	0	0	0	0	114.6	V111 V113	V111-G115 PolarHBondContact O-N 3.11Å; V113-G115 VanDerWaalsContact C-N 3.28Å; V113-G115 PolarHBondContact O-N 3.39Å
116	R	93.1	Very high	91	Very high	171 Å²	171	77.5 Å²	77.5	65%	0.645	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-3.9	177.2	-61.7	-68.9	-150	-175	5.3	112.9	A76 V80 V113 R114	A76-R116 HydrophobicContact CB-CG 4.45Å; V80-R116 HydrophobicContact CG2-CB 3.73Å; V113-R116 CarbonylContact O-C 3.53Å; V113-R116 WeakPolarHBondContact O-CA 3.49Å; V113-R116 WeakPolarHBondContact O-CB 3.45Å; V113-R116 PolarHBondContact O-N 2.81Å; R114-R116 PolarHBondContact O-N 3.04Å
117	M	92.8	Very high	91.3	Very high	22 Å²	22	75.3 Å²	75.3	11%	0.108	41%	0.406	C	S	.	.	S	Bend	trans	-68.1	143.8	-179.8	-73.2	-65.9	-73.5	0	0	110.6	V80 V83 L84 Y106 L109 V113 R114 I123	V80-M117 HydrophobicContact CB-SD 4.36Å; V80-M117 HydrophobicContact CG1-SD 4.02Å; V80-M117 HydrophobicContact CG2-SD 4.09Å; V83-M117 HydrophobicContact CB-CE 4.36Å; V83-M117 HydrophobicContact CB-SD 4.43Å; V83-M117 HydrophobicContact CG1-CE 3.61Å; V83-M117 HydrophobicContact CG1-SD 4.22Å; L84-M117 HydrophobicContact CD2-CE 4.18Å; Y106-M117 HydrophobicContact CE1-CB 4.42Å; Y106-M117 HydrophobicContact CE1-CG 4.2Å; Y106-M117 HydrophobicContact CE2-CE 4.1Å; Y106-M117 WeakPolarHBondContact OH-CB 3.27Å; L109-M117 HydrophobicContact CD1-CE 4.4Å; L109-M117 HydrophobicContact CD1-CG 4.34Å; L109-M117 HydrophobicContact CD1-SD 4.29Å; V113-M117 PolarHBondContact O-N 3.06Å; R114-M117 WeakPolarHBondContact O-CB 3.47Å; R114-M117 PolarHBondContact O-N 3.26Å; M117-I123 HydrophobicContact CE-CD1 3.84Å
118	P	92.9	Very high	91.7	Very high	39 Å²	39	71 Å²	71	25%	0.253	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-58.8	157.7	168.5	-20.1	31.6	0	0	0	111.1	L84 A122 I123	L84-P118 HydrophobicContact CD1-CG 3.75Å; L84-P118 HydrophobicContact CD2-CG 4.28Å; P118-A122 HydrophobicContact CB-CB 4.49Å; P118-I123 HydrophobicContact CB-CG1 4.27Å
119	D	93.9	Very high	92.3	Very high	103 Å²	103	73.7 Å²	73.7	55%	0.551	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-53.8	143.4	174.2	178.6	39.2	0	0	0	111.9	S121 A122 I123	D119-S121 PolarHBondContact O-N 3.4Å; D119-S121 VanDerWaalsContact OD2-CB 3.3Å; D119-S121 WeakPolarHBondContact OD2-CB 3.33Å; D119-S121 PolarHBondContact OD2-N 3.18Å; D119-S121 PolarHBondContact OD2-OG 3.06Å; D119-A122 WeakPolarHBondContact O-CB 3.35Å; D119-A122 PolarHBondContact O-N 3.46Å; D119-I123 PolarHBondContact O-N 3.15Å
120	K	93.3	Very high	92.6	Very high	139 Å²	139	73.7 Å²	73.7	60%	0.604	39%	0.389	S	S	*	.	H	α-helix	trans	-54.4	-41.4	-177.2	-68.5	-179	-179.3	177.4	0	111	A122 I123 V124	K120-A122 VanDerWaalsContact C-N 3.29Å; K120-A122 PolarHBondContact O-N 2.92Å; K120-I123 PolarHBondContact O-N 3.13Å; K120-I123 VanDerWaalsContact O-N 3.15Å; K120-V124 WeakPolarHBondContact O-CG2 3.44Å; K120-V124 PolarHBondContact O-N 3.26Å
121	S	95.4	Very high	93	Very high	60 Å²	60	72.8 Å²	72.8	42%	0.42	38%	0.377	S	S	.	.	H	α-helix	trans	-61	-37.8	178.9	77.9	0	0	0	0	112.3	D119 I123 V124 K125	D119-S121 PolarHBondContact O-N 3.4Å; D119-S121 VanDerWaalsContact OD2-CB 3.3Å; D119-S121 WeakPolarHBondContact OD2-CB 3.33Å; D119-S121 PolarHBondContact OD2-N 3.18Å; D119-S121 PolarHBondContact OD2-OG 3.06Å; S121-I123 VanDerWaalsContact C-N 3.35Å; S121-V124 PolarHBondContact O-N 3.32Å; S121-K125 WeakPolarHBondContact O-CG 3.45Å; S121-K125 PolarHBondContact O-N 2.95Å
122	A	94.7	Very high	93.4	Very high	39 Å²	39	73.2 Å²	73.2	32%	0.322	37%	0.372	S	S	.	.	H	α-helix	trans	-67.9	-36.3	177.7	0	0	0	0	0	111.8	P118 D119 K120 R126	P118-A122 HydrophobicContact CB-CB 4.49Å; D119-A122 WeakPolarHBondContact O-CB 3.35Å; D119-A122 PolarHBondContact O-N 3.46Å; K120-A122 VanDerWaalsContact C-N 3.29Å; K120-A122 PolarHBondContact O-N 2.92Å; A122-R126 PolarHBondContact O-N 3.44Å; A122-R126 VanDerWaalsContact O-N 3.11Å
123	I	94.4	Very high	93.6	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-69.8	-42.3	175.5	-53.4	172.3	0	0	0	110.5	L84 V87 L102 Y106 M117 P118 D119 K120 S121 K125 R126 I127	L84-I123 HydrophobicContact CD2-CD1 4.23Å; L84-I123 HydrophobicContact CD2-CG1 4.05Å; L84-I123 HydrophobicContact CD2-CG2 4.45Å; V87-I123 HydrophobicContact CG1-CG2 3.78Å; L102-I123 HydrophobicContact CD2-CB 3.85Å; L102-I123 HydrophobicContact CD2-CD1 3.99Å; L102-I123 HydrophobicContact CD2-CG2 3.45Å; L102-I123 VanDerWaalsContact CD2-CG2 3.45Å; Y106-I123 HydrophobicContact CE2-CD1 4.28Å; M117-I123 HydrophobicContact CE-CD1 3.84Å; P118-I123 HydrophobicContact CB-CG1 4.27Å; D119-I123 PolarHBondContact O-N 3.15Å; K120-I123 PolarHBondContact O-N 3.13Å; K120-I123 VanDerWaalsContact O-N 3.15Å; S121-I123 VanDerWaalsContact C-N 3.35Å; I123-K125 PolarHBondContact O-N 3.4Å; I123-R126 WeakPolarHBondContact O-CA 3.32Å; I123-R126 VanDerWaalsContact O-CB 3.26Å; I123-R126 WeakPolarHBondContact O-CB 3.33Å; I123-R126 PolarHBondContact O-N 3.31Å; I123-I127 PolarHBondContact O-N 3.48Å
124	V	96.2	Very high	93.6	Very high	39 Å²	39	75 Å²	75	24%	0.236	38%	0.382	C	S	.	.	H	α-helix	trans	-58.6	-46.6	174.3	174.4	0	0	0	0	111.2	P98 L102 K120 S121 R126 I127 Q128	P98-V124 HydrophobicContact CB-CG1 4.14Å; P98-V124 HydrophobicContact CB-CG2 4.03Å; P98-V124 HydrophobicContact CG-CG1 4.31Å; L102-V124 HydrophobicContact CD1-CG2 3.81Å; K120-V124 WeakPolarHBondContact O-CG2 3.44Å; K120-V124 PolarHBondContact O-N 3.26Å; S121-V124 PolarHBondContact O-N 3.32Å; V124-R126 PolarHBondContact O-N 2.88Å; V124-I127 WeakPolarHBondContact O-CB 3.26Å; V124-I127 PolarHBondContact O-N 3.37Å; V124-I127 VanDerWaalsContact O-N 3.13Å; V124-Q128 WeakPolarHBondContact O-CG 3.39Å; V124-Q128 PolarHBondContact O-N 2.89Å
125	K	95.8	Very high	93.7	Very high	123 Å²	123	77.7 Å²	77.7	54%	0.535	39%	0.392	S	S	.	.	H	α-helix	trans	-59.4	-29.9	174.4	-73.7	176.4	-178.7	175.7	0	112.6	S121 I123 R129	S121-K125 WeakPolarHBondContact O-CG 3.45Å; S121-K125 PolarHBondContact O-N 2.95Å; I123-K125 PolarHBondContact O-N 3.4Å; K125-R129 WeakPolarHBondContact O-CB 3.3Å; K125-R129 WeakPolarHBondContact O-CG 3.17Å; K125-R129 PolarHBondContact O-N 3.09Å; K125-R129 PolarHBondContact O-NE 2.8Å; K125-R129 VanDerWaalsContact O-NE 3.15Å
126	R	94.4	Very high	93.6	Very high	73 Å²	73	76.6 Å²	76.6	28%	0.275	38%	0.375	S	S	.	.	H	α-helix	trans	-70.1	-47.7	174.5	-172.2	174.7	-62.6	-178.7	4.2	111.1	L84 A122 I123 V124 Q128 R129 T130	L84-R126 VanDerWaalsContact CB-NH1 3.33Å; L84-R126 VanDerWaalsContact CD1-NH1 3.32Å; A122-R126 PolarHBondContact O-N 3.44Å; A122-R126 VanDerWaalsContact O-N 3.11Å; I123-R126 WeakPolarHBondContact O-CA 3.32Å; I123-R126 VanDerWaalsContact O-CB 3.26Å; I123-R126 WeakPolarHBondContact O-CB 3.33Å; I123-R126 PolarHBondContact O-N 3.31Å; V124-R126 PolarHBondContact O-N 2.88Å; R126-Q128 VanDerWaalsContact C-N 3.3Å; R126-Q128 PolarHBondContact O-N 2.76Å; R126-R129 PolarHBondContact O-N 3.08Å; R126-T130 WeakPolarHBondContact O-CB 3.48Å; R126-T130 PolarHBondContact O-N 3.36Å; R126-T130 PolarHBondContact O-OG1 2.85Å; R126-T130 VanDerWaalsContact O-OG1 3.09Å
127	I	95.2	Very high	93.2	Very high	1 Å²	1	73.9 Å²	73.9	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-54.7	-47.8	176.1	-66.7	168.9	0	0	0	110.5	V87 A91 P98 I101 I123 V124 T130 R131	V87-I127 HydrophobicContact CG1-CD1 3.95Å; V87-I127 HydrophobicContact CG1-CG1 3.74Å; A91-I127 HydrophobicContact CB-CB 4.21Å; A91-I127 HydrophobicContact CB-CG1 4.16Å; A91-I127 HydrophobicContact CB-CG2 3.83Å; P98-I127 HydrophobicContact CB-CD1 4.03Å; P98-I127 HydrophobicContact CG-CG2 4.35Å; I101-I127 HydrophobicContact CB-CD1 4.13Å; I101-I127 HydrophobicContact CD1-CD1 4.41Å; I101-I127 HydrophobicContact CD1-CG2 4.24Å; I101-I127 HydrophobicContact CG2-CD1 3.98Å; I123-I127 PolarHBondContact O-N 3.48Å; V124-I127 WeakPolarHBondContact O-CB 3.26Å; V124-I127 PolarHBondContact O-N 3.37Å; V124-I127 VanDerWaalsContact O-N 3.13Å; I127-T130 PolarHBondContact O-N 2.79Å; I127-R131 WeakPolarHBondContact O-CG 3.11Å; I127-R131 PolarHBondContact O-N 2.97Å
128	Q	95.3	Very high	92.7	Very high	105 Å²	105	76.2 Å²	76.2	49%	0.491	39%	0.392	S	S	.	.	H	α-helix	trans	-60	-52.3	178.7	-70.8	170.7	-17.8	0	0	112.1	V124 R126 T130 R131 M132	V124-Q128 WeakPolarHBondContact O-CG 3.39Å; V124-Q128 PolarHBondContact O-N 2.89Å; R126-Q128 VanDerWaalsContact C-N 3.3Å; R126-Q128 PolarHBondContact O-N 2.76Å; Q128-T130 VanDerWaalsContact C-N 3.31Å; Q128-T130 PolarHBondContact O-N 3.25Å; Q128-R131 PolarHBondContact O-N 3.47Å; Q128-M132 WeakPolarHBondContact O-CG 3.28Å; Q128-M132 PolarHBondContact O-N 3.44Å
129	R	94.4	Very high	91.7	Very high	159 Å²	159	78.7 Å²	78.7	60%	0.6	41%	0.41	S	S	*	.	H	α-helix	trans	-59.1	-41.8	178.9	-76.6	-177.4	-71.2	179.5	-4.3	112.6	K125 R126 M132 A133	K125-R129 WeakPolarHBondContact O-CB 3.3Å; K125-R129 WeakPolarHBondContact O-CG 3.17Å; K125-R129 PolarHBondContact O-N 3.09Å; K125-R129 PolarHBondContact O-NE 2.8Å; K125-R129 VanDerWaalsContact O-NE 3.15Å; R126-R129 PolarHBondContact O-N 3.08Å; R129-M132 PolarHBondContact O-N 2.8Å; R129-A133 PolarHBondContact O-N 3.36Å
130	T	92.8	Very high	90.2	Very high	15 Å²	15	81.1 Å²	81.1	9%	0.092	42%	0.418	C	S	.	.	H	α-helix	trans	-59.3	-47.1	176.1	-70.2	0	0	0	0	111.4	K88 A91 E92 R126 I127 Q128 M132 A133 V134	K88-T130 HydrophobicContact CG-CG2 4.03Å; A91-T130 HydrophobicContact CB-CG2 4.16Å; E92-T130 HydrophobicContact CB-CG2 4.36Å; E92-T130 HydrophobicContact CG-CG2 3.23Å; R126-T130 WeakPolarHBondContact O-CB 3.48Å; R126-T130 PolarHBondContact O-N 3.36Å; R126-T130 PolarHBondContact O-OG1 2.85Å; R126-T130 VanDerWaalsContact O-OG1 3.09Å; I127-T130 PolarHBondContact O-N 2.79Å; Q128-T130 VanDerWaalsContact C-N 3.31Å; Q128-T130 PolarHBondContact O-N 3.25Å; T130-M132 PolarHBondContact O-N 3.22Å; T130-A133 PolarHBondContact O-N 2.9Å; T130-V134 WeakPolarHBondContact O-CG2 3.43Å; T130-V134 PolarHBondContact O-N 2.8Å; T130-V134 VanDerWaalsContact O-N 3.08Å
131	R	94.8	Very high	88.6	Confident	49 Å²	49	80 Å²	80	19%	0.185	42%	0.423	C	S	.	.	H	α-helix	trans	-64.6	-38.5	177.4	-73.6	175.2	170.5	170.9	-0.1	113	A91 T94 E96 I127 Q128 A133 V134 R135	A91-R131 VanDerWaalsContact O-CG 3.28Å; A91-R131 WeakPolarHBondContact O-CG 3.45Å; A91-R131 PolarHBondContact O-NE 3.09Å; T94-R131 PolarHBondContact O-NE 3.37Å; T94-R131 PolarHBondContact O-NH2 3.32Å; E96-R131 VanDerWaalsContact O-CZ 3.24Å; E96-R131 PolarHBondContact O-NH1 3.1Å; E96-R131 PolarHBondContact O-NH2 3.14Å; I127-R131 WeakPolarHBondContact O-CG 3.11Å; I127-R131 PolarHBondContact O-N 2.97Å; Q128-R131 PolarHBondContact O-N 3.47Å; R131-A133 VanDerWaalsContact C-N 3.34Å; R131-V134 PolarHBondContact O-N 2.95Å; R131-R135 VanDerWaalsContact O-CG 3.32Å; R131-R135 WeakPolarHBondContact O-CG 3.32Å; R131-R135 PolarHBondContact O-N 3.15Å; R131-R135 VanDerWaalsContact O-N 3.09Å
132	M	93.9	Very high	86.9	Confident	127 Å²	127	83 Å²	83	63%	0.626	44%	0.439	S	S	*	.	H	α-helix	trans	-62.8	-42.4	175.1	-69.5	178.4	73.3	0	0	111.5	Q128 R129 T130 R135 A136	Q128-M132 WeakPolarHBondContact O-CG 3.28Å; Q128-M132 PolarHBondContact O-N 3.44Å; R129-M132 PolarHBondContact O-N 2.8Å; T130-M132 PolarHBondContact O-N 3.22Å; M132-R135 PolarHBondContact O-N 2.92Å; M132-A136 WeakPolarHBondContact O-CB 3.43Å; M132-A136 PolarHBondContact O-N 3.09Å
133	A	91.6	Very high	84.5	Confident	62 Å²	62	84.3 Å²	84.3	51%	0.512	46%	0.456	S	S	.	.	H	α-helix	trans	-62.3	-44.3	176.8	0	0	0	0	0	112.2	R129 T130 R131 R135 A136 D137	R129-A133 PolarHBondContact O-N 3.36Å; T130-A133 PolarHBondContact O-N 2.9Å; R131-A133 VanDerWaalsContact C-N 3.34Å; A133-R135 VanDerWaalsContact C-N 3.33Å; A133-R135 PolarHBondContact O-N 2.75Å; A133-A136 PolarHBondContact O-N 2.91Å; A133-D137 PolarHBondContact O-N 3.42Å
134	V	89.9	Confident	82	Confident	56 Å²	56	87.7 Å²	87.7	34%	0.339	49%	0.491	S	S	.	.	H	α-helix	trans	-61.3	-40.6	176.9	172.7	0	0	0	0	111.9	E92 T130 R131 S138	E92-V134 HydrophobicContact CB-CG2 4.2Å; E92-V134 HydrophobicContact CG-CG2 3.99Å; T130-V134 WeakPolarHBondContact O-CG2 3.43Å; T130-V134 PolarHBondContact O-N 2.8Å; T130-V134 VanDerWaalsContact O-N 3.08Å; R131-V134 PolarHBondContact O-N 2.95Å; V134-S138 PolarHBondContact O-N 2.7Å; V134-S138 VanDerWaalsContact O-N 3.13Å; V134-S138 PolarHBondContact O-OG 2.99Å
135	R	91.4	Very high	79.8	Confident	176 Å²	176	91 Å²	91	66%	0.664	52%	0.516	S	S	*	.	H	α-helix	trans	-64.6	-45.2	175.6	-70.5	172.6	-176.6	-175.2	-0.8	111.7	R131 M132 A133 D137 S138 S139	R131-R135 VanDerWaalsContact O-CG 3.32Å; R131-R135 WeakPolarHBondContact O-CG 3.32Å; R131-R135 PolarHBondContact O-N 3.15Å; R131-R135 VanDerWaalsContact O-N 3.09Å; M132-R135 PolarHBondContact O-N 2.92Å; A133-R135 VanDerWaalsContact C-N 3.33Å; A133-R135 PolarHBondContact O-N 2.75Å; R135-D137 VanDerWaalsContact C-N 3.31Å; R135-D137 PolarHBondContact O-N 2.81Å; R135-S138 PolarHBondContact O-N 2.76Å; R135-S139 PolarHBondContact O-N 3.06Å; R135-S139 VanDerWaalsContact O-N 3.1Å; R135-S139 PolarHBondContact O-OG 2.95Å
136	A	89.8	Confident	77.4	Confident	50 Å²	50	90.7 Å²	90.7	41%	0.413	53%	0.527	S	S	.	.	H	α-helix	trans	-64.4	-34.2	179.8	0	0	0	0	0	113.1	M132 A133 Q140	M132-A136 WeakPolarHBondContact O-CB 3.43Å; M132-A136 PolarHBondContact O-N 3.09Å; A133-A136 PolarHBondContact O-N 2.91Å; A136-Q140 PolarHBondContact O-NE2 2.68Å; A136-Q140 VanDerWaalsContact O-NE2 3.1Å
137	D	84.3	Confident	75.4	Confident	115 Å²	115	92.3 Å²	92.3	62%	0.615	55%	0.549	S	S	*	.	H	α-helix	trans	-68.8	-40.1	174.5	-161.8	32.4	0	0	0	111.3	A133 R135 S139 Q140	A133-D137 PolarHBondContact O-N 3.42Å; R135-D137 VanDerWaalsContact C-N 3.31Å; R135-D137 PolarHBondContact O-N 2.81Å; D137-S139 VanDerWaalsContact C-N 3.33Å; D137-S139 PolarHBondContact O-N 2.85Å; D137-Q140 PolarHBondContact O-N 3.01Å
138	S	81.7	Confident	73.8	Confident	70 Å²	70	97.8 Å²	97.8	49%	0.49	58%	0.582	S	S	.	*	H	α-helix	trans	-68.7	-27.6	178.1	-53.5	0	0	0	0	113.6	V134 R135 T141	V134-S138 PolarHBondContact O-N 2.7Å; V134-S138 VanDerWaalsContact O-N 3.13Å; V134-S138 PolarHBondContact O-OG 2.99Å; R135-S138 PolarHBondContact O-N 2.76Å; S138-T141 PolarHBondContact O-OG1 3.48Å; S138-T141 VanDerWaalsContact O-OG1 3.13Å
139	S	73.1	Confident	71.9	Confident	92 Å²	92	98.8 Å²	98.8	64%	0.643	60%	0.595	S	S	*	*	H	α-helix	trans	-79	-22.9	179.6	-64.2	0	0	0	0	113.5	R135 D137	R135-S139 PolarHBondContact O-N 3.06Å; R135-S139 VanDerWaalsContact O-N 3.1Å; R135-S139 PolarHBondContact O-OG 2.95Å; D137-S139 VanDerWaalsContact C-N 3.33Å; D137-S139 PolarHBondContact O-N 2.85Å
140	Q	62.2	Low	70.4	Confident	153 Å²	153	96.6 Å²	96.6	72%	0.715	60%	0.599	S	S	*	*	H	α-helix	trans	-80.1	-19.3	-178.3	-76.5	173	73.6	0	0	113	A136 D137 V142	A136-Q140 PolarHBondContact O-NE2 2.68Å; A136-Q140 VanDerWaalsContact O-NE2 3.1Å; D137-Q140 PolarHBondContact O-N 3.01Å; Q140-V142 PolarHBondContact O-N 2.95Å
141	T	59.6	Low	68.5	Low	116 Å²	116	101 Å²	101	71%	0.712	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-3.7	-177.9	45.4	0	0	0	0	114.8	S138	S138-T141 PolarHBondContact O-OG1 3.48Å; S138-T141 VanDerWaalsContact O-OG1 3.13Å
142	V	59.9	Low	66.2	Low	124 Å²	124	107.1 Å²	107.1	75%	0.752	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	0.6	-179.3	-164.3	0	0	0	0	112.8	Q140 G144	Q140-V142 PolarHBondContact O-N 2.95Å; V142-G144 VanDerWaalsContact C-N 3.3Å; V142-G144 PolarHBondContact O-N 2.72Å; V142-G144 VanDerWaalsContact O-N 3.11Å
143	G	44.5	Very low	64.5	Low	66 Å²	66	107.7 Å²	107.7	68%	0.68	67%	0.669	S	S	*	*			trans	-84.5	66	171.3	0	0	0	0	0	111.9	S145	G143-S145 PolarHBondContact O-N 2.85Å; G143-S145 VanDerWaalsContact O-N 3.09Å
144	G	41.6	Very low	62.2	Low	71 Å²	71	110.9 Å²	110.9	73%	0.732	68%	0.678	S	S	*	*			trans	-59.8	111.5	167.3	0	0	0	0	0	109	V142	V142-G144 VanDerWaalsContact C-N 3.3Å; V142-G144 PolarHBondContact O-N 2.72Å; V142-G144 VanDerWaalsContact O-N 3.11Å
145	S	50.6	Low	60.4	Low	109 Å²	109	117.8 Å²	117.8	76%	0.762	71%	0.705	S	S	*	*			trans	-48	134.7	166.2	-78.8	0	0	0	0	108.7	G143 S147	G143-S145 PolarHBondContact O-N 2.85Å; G143-S145 VanDerWaalsContact O-N 3.09Å; S145-S147 PolarHBondContact O-N 3.12Å
146	P	44.5	Very low	58.1	Low	116 Å²	116	113.3 Å²	113.3	75%	0.753	71%	0.707	S	S	*	*			trans	-60.6	113.3	164	10.4	-1.7	0	0	0	105.8	V148	P146-V148 VanDerWaalsContact C-N 3.26Å; P146-V148 PolarHBondContact O-N 2.98Å
147	S	51.8	Low	55.9	Low	107 Å²	107	118.2 Å²	118.2	75%	0.748	73%	0.726	S	S	*	*			trans	-60.1	95.9	168.8	-173.4	0	0	0	0	106.7	S145 V149	S145-S147 PolarHBondContact O-N 3.12Å; S147-V149 PolarHBondContact O-N 2.79Å
148	V	62	Low	54.2	Low	116 Å²	116	117.6 Å²	117.6	70%	0.703	73%	0.73	S	S	*	*			trans	-67.4	102.7	168.9	175.9	0	0	0	0	105.3	P146 V150	P146-V148 VanDerWaalsContact C-N 3.26Å; P146-V148 PolarHBondContact O-N 2.98Å; V148-V150 VanDerWaalsContact C-N 3.32Å; V148-V150 HydrophobicContact CG1-CG2 3.99Å; V148-V150 PolarHBondContact O-N 3.41Å
149	V	56.3	Low	52.2	Low	125 Å²	125	121.8 Å²	121.8	76%	0.758	74%	0.742	S	S	*	*			trans	-65.7	95.8	169.4	178.9	0	0	0	0	106.6	S147	S147-V149 PolarHBondContact O-N 2.79Å
150	V	61.6	Low	50.6	Low	114 Å²	114	125.6 Å²	125.6	69%	0.691	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-81.7	122.3	167.4	-177.6	0	0	0	0	106.9	V148 Q152	V148-V150 VanDerWaalsContact C-N 3.32Å; V148-V150 HydrophobicContact CG1-CG2 3.99Å; V148-V150 PolarHBondContact O-N 3.41Å; V150-Q152 PolarHBondContact O-N 2.9Å
151	P	53.1	Low	49.7	Very low	107 Å²	107	124.9 Å²	124.9	70%	0.695	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-62.2	128.8	174.7	-18.5	30.7	0	0	0	110.4	V153	P151-V153 PolarHBondContact O-N 2.83Å
152	Q	46.9	Very low	49	Very low	178 Å²	178	129.4 Å²	129.4	83%	0.832	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-60	121.6	171.8	-77.6	177.2	-106.2	0	0	109.8	V150	V150-Q152 PolarHBondContact O-N 2.9Å
153	V	59	Low	48.4	Very low	138 Å²	138	131.5 Å²	131.5	84%	0.836	76%	0.762	S	S	*	*			trans	-111.7	112.1	158.4	-79.7	0	0	0	0	106.8	P151 H155	P151-V153 PolarHBondContact O-N 2.83Å; V153-H155 PolarHBondContact O-N 2.82Å
154	D	43.2	Very low	48.3	Very low	130 Å²	130	133 Å²	133	70%	0.695	77%	0.768	S	S	*	*			trans	-66.6	122.2	177.9	-56.4	-52.7	0	0	0	109.1
155	H	52.1	Low	48.4	Very low	200 Å²	200	137.3 Å²	137.3	93%	0.926	78%	0.775	S	S	*	*			trans	-147.9	139.3	153.8	-87.5	-7.5	0	0	0	110.5	V153	V153-H155 PolarHBondContact O-N 2.82Å
156	A	43.3	Very low	47.8	Very low	83 Å²	83	141.1 Å²	141.1	69%	0.686	78%	0.78	S	S	*	*			trans	-88.2	161.4	-163.1	0	0	0	0	0	114
157	D	42.7	Very low	47.8	Very low	153 Å²	153	144.4 Å²	144.4	82%	0.818	79%	0.786	S	S	*	*			trans	74.6	128.5	148	-61.2	-27.9	0	0	0	122.4
158	S	47.6	Very low	47.3	Very low	101 Å²	101	144.7 Å²	144.7	71%	0.706	79%	0.785	S	S	*	*			trans	96.3	104.1	140.8	-61.3	0	0	0	0	121
159	E	40.8	Very low	46.4	Very low	159 Å²	159	143.8 Å²	143.8	74%	0.743	79%	0.79	S	S	*	*				68.3	128.7	122.5	-77.7	-176.7	117.3	0	0	122.7
160	Q	39.3	Very low	46.2	Very low	172 Å²	172	149.5 Å²	149.5	80%	0.804	80%	0.798	S	S	*	*			trans	67.9	106.7	148	-63.8	175.8	7	0	0	118
161	D	44	Very low	46.2	Very low	138 Å²	138	153.7 Å²	153.7	74%	0.738	81%	0.806	S	S	*	*				-175.7	137.4	103.7	-143.7	-18.9	0	0	0	110.5
162	K	45	Very low	46.6	Very low	210 Å²	210	157.1 Å²	157.1	91%	0.913	81%	0.805	S	S	*	*			trans	-124.1	93.3	170.7	-81.1	-166.4	-178.3	-172	0	108.6
163	Q	46.3	Very low	48	Very low	169 Å²	169	154.3 Å²	154.3	79%	0.79	79%	0.791	S	S	*	*			trans	-112.8	136.6	165.6	-90.3	-179.2	-18.6	0	0	112.2
164	A	42.7	Very low	48.8	Very low	97 Å²	97	150.5 Å²	150.5	80%	0.802	77%	0.77	S	S	*	*			trans	60.9	119.2	145.1	0	0	0	0	0	120.3
165	N	43.6	Very low	50	Low	162 Å²	162	151 Å²	151	87%	0.866	77%	0.772	S	S	*	*				-154.5	100.4	117.7	-137.2	-11.7	0	0	0	111.3
166	E	38.5	Very low	50.9	Low	189 Å²	189	147.7 Å²	147.7	88%	0.883	76%	0.76	S	S	*	*			trans	-75.9	113.4	161.9	-74.9	-174.2	129.5	0	0	108.5
167	E	44.6	Very low	52.4	Low	185 Å²	185	148 Å²	148	86%	0.864	75%	0.747	S	S	*	*			trans	-79.4	124.4	173.4	-168	-178.4	166.3	0	0	109.9
168	P	40.4	Very low	53.8	Low	113 Å²	113	144.9 Å²	144.9	73%	0.734	73%	0.73	S	S	*	*			trans	-73.1	134.4	-173.8	27.8	-32.2	0	0	0	111.7	R170	P168-R170 PolarHBondContact O-N 3.36Å
169	A	42.6	Very low	55.2	Low	97 Å²	97	143.4 Å²	143.4	80%	0.802	72%	0.717	S	S	*	*			trans	-55.8	107.1	176.3	0	0	0	0	0	111.8	K171	A169-K171 PolarHBondContact O-N 2.89Å
170	R	53.8	Low	56.8	Low	245 Å²	245	140.4 Å²	140.4	93%	0.925	71%	0.706	S	S	*	*			trans	-66.1	95.4	174.7	-155.4	177.7	-152.5	-163.7	6.9	110	P168 R172	P168-R170 PolarHBondContact O-N 3.36Å; R170-R172 PolarHBondContact O-N 2.92Å
171	K	59.7	Low	58.4	Low	201 Å²	201	135.4 Å²	135.4	87%	0.874	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-51.6	122.8	174.4	-73.1	-179.8	179.2	177.2	0	109.6	A169	A169-K171 PolarHBondContact O-N 2.89Å
172	R	62.4	Low	59.7	Low	179 Å²	179	134.5 Å²	134.5	68%	0.675	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-74.3	126.8	176.3	-80	-179.8	167.3	171.1	2.1	109.2	Y45 R170	Y45-R172 PolarHBondContact OH-NH1 3.01Å; R170-R172 PolarHBondContact O-N 2.92Å
173	K	75.5	Confident	60.9	Low	120 Å²	120	128.1 Å²	128.1	52%	0.522	66%	0.659	S	S	.	*	P	Polyproline II helix	trans	-65	140.7	166.1	-68	-172	177.7	-171.9	0	110.3	E177 I181	K173-E177 WeakPolarHBondContact CA-OE2 3.44Å; K173-E177 HydrophobicContact CB-CB 3.97Å; K173-E177 VanDerWaalsContact CB-OE2 3.23Å; K173-E177 WeakPolarHBondContact CB-OE2 3.45Å; K173-I181 HydrophobicContact CD-CD1 3.89Å
174	S	76.5	Confident	62.1	Low	57 Å²	57	128 Å²	128	40%	0.399	66%	0.656	S	S	.	*	P	Polyproline II helix	trans	-65.8	163.4	177.6	76	0	0	0	0	111	L176 E177 L178	S174-L176 PolarHBondContact O-N 3.01Å; S174-L176 PolarHBondContact OG-N 2.96Å; S174-E177 PolarHBondContact N-OE2 2.9Å; S174-E177 PolarHBondContact O-N 2.83Å; S174-E177 PolarHBondContact OG-N 3.46Å; S174-L178 PolarHBondContact O-N 3.38Å; S174-L178 VanDerWaalsContact O-N 3.1Å
175	L	68.8	Low	63.4	Low	140 Å²	140	130.7 Å²	130.7	73%	0.733	65%	0.65	S	S	*	*	H	α-helix	trans	-60.8	-34.3	175.8	-163.2	113.8	0	0	0	111.3	L178 V179	L175-L178 PolarHBondContact O-N 3.36Å; L175-V179 WeakPolarHBondContact O-CG2 3.47Å; L175-V179 PolarHBondContact O-N 3.16Å
176	L	69.8	Low	64.3	Low	132 Å²	132	127.9 Å²	127.9	69%	0.691	64%	0.642	S	S	*	*	H	α-helix	trans	-62.2	-46.7	174.6	-71.2	165.2	0	0	0	111.3	S174 L178 V179 D180	S174-L176 PolarHBondContact O-N 3.01Å; S174-L176 PolarHBondContact OG-N 2.96Å; L176-L178 VanDerWaalsContact C-N 3.27Å; L176-L178 PolarHBondContact O-N 2.96Å; L176-V179 PolarHBondContact O-N 3.41Å; L176-V179 VanDerWaalsContact O-N 3.14Å; L176-D180 PolarHBondContact O-N 2.82Å
177	E	75	Confident	65.3	Low	88 Å²	88	123.4 Å²	123.4	41%	0.411	63%	0.632	S	S	.	*	H	α-helix	trans	-63.2	-32.5	176.5	-74.8	-178.9	116.7	0	0	112.8	K173 S174 I181	K173-E177 WeakPolarHBondContact CA-OE2 3.44Å; K173-E177 HydrophobicContact CB-CB 3.97Å; K173-E177 VanDerWaalsContact CB-OE2 3.23Å; K173-E177 WeakPolarHBondContact CB-OE2 3.45Å; S174-E177 PolarHBondContact N-OE2 2.9Å; S174-E177 PolarHBondContact O-N 2.83Å; S174-E177 PolarHBondContact OG-N 3.46Å; E177-I181 WeakPolarHBondContact O-CD1 3.32Å; E177-I181 WeakPolarHBondContact O-CG1 3.41Å; E177-I181 PolarHBondContact O-N 3.37Å; E177-I181 VanDerWaalsContact O-N 3.13Å
178	L	73	Confident	66.1	Low	89 Å²	89	119.4 Å²	119.4	47%	0.466	62%	0.624	S	S	.	*	H	α-helix	trans	-73	-35.1	176	-73.9	169.4	0	0	0	112.3	S174 L175 L176 L182	S174-L178 PolarHBondContact O-N 3.38Å; S174-L178 VanDerWaalsContact O-N 3.1Å; L175-L178 PolarHBondContact O-N 3.36Å; L176-L178 VanDerWaalsContact C-N 3.27Å; L176-L178 PolarHBondContact O-N 2.96Å; L178-L182 WeakPolarHBondContact O-CD1 3.27Å; L178-L182 WeakPolarHBondContact O-CG 3.3Å; L178-L182 PolarHBondContact O-N 2.99Å; L178-L182 VanDerWaalsContact O-N 3.11Å
179	V	77.4	Confident	66.8	Low	69 Å²	69	118.9 Å²	118.9	42%	0.418	62%	0.623	S	S	.	*	H	α-helix	trans	-66.6	-42.4	173.7	173.2	0	0	0	0	110.2	L175 L176 I181 L182 C183	L175-V179 WeakPolarHBondContact O-CG2 3.47Å; L175-V179 PolarHBondContact O-N 3.16Å; L176-V179 PolarHBondContact O-N 3.41Å; L176-V179 VanDerWaalsContact O-N 3.14Å; V179-I181 VanDerWaalsContact C-N 3.34Å; V179-I181 PolarHBondContact O-N 3.25Å; V179-L182 PolarHBondContact O-N 3.31Å; V179-L182 VanDerWaalsContact O-N 3.09Å; V179-C183 PolarHBondContact O-N 2.99Å; V179-C183 PolarHBondContact O-SG 3.33Å
180	D	73.7	Confident	66.9	Low	97 Å²	97	120.3 Å²	120.3	52%	0.519	62%	0.622	S	S	.	*	H	α-helix	trans	-62.5	-39.2	176.2	-69.6	-26.9	0	0	0	112.7	L176 L182 C183 K184	L176-D180 PolarHBondContact O-N 2.82Å; D180-L182 VanDerWaalsContact C-N 3.3Å; D180-L182 PolarHBondContact O-N 2.98Å; D180-C183 PolarHBondContact O-N 3.27Å; D180-K184 PolarHBondContact O-N 2.82Å
181	I	72.6	Confident	66.6	Low	66 Å²	66	117 Å²	117	34%	0.338	65%	0.647	S	S	.	*	H	α-helix	trans	-64.6	-36	174.9	-69.7	164.5	0	0	0	111.1	K173 E177 V179	K173-I181 HydrophobicContact CD-CD1 3.89Å; E177-I181 WeakPolarHBondContact O-CD1 3.32Å; E177-I181 WeakPolarHBondContact O-CG1 3.41Å; E177-I181 PolarHBondContact O-N 3.37Å; E177-I181 VanDerWaalsContact O-N 3.13Å; V179-I181 VanDerWaalsContact C-N 3.34Å; V179-I181 PolarHBondContact O-N 3.25Å
182	L	71.3	Confident	67	Low	120 Å²	120	112.8 Å²	112.8	63%	0.628	64%	0.636	S	S	*	*	H	α-helix	trans	-74.1	-40.8	177.3	-75.9	163.3	0	0	0	111.7	L178 V179 D180 K185 C186	L178-L182 WeakPolarHBondContact O-CD1 3.27Å; L178-L182 WeakPolarHBondContact O-CG 3.3Å; L178-L182 PolarHBondContact O-N 2.99Å; L178-L182 VanDerWaalsContact O-N 3.11Å; V179-L182 PolarHBondContact O-N 3.31Å; V179-L182 VanDerWaalsContact O-N 3.09Å; D180-L182 VanDerWaalsContact C-N 3.3Å; D180-L182 PolarHBondContact O-N 2.98Å; L182-K185 PolarHBondContact O-N 2.91Å; L182-C186 PolarHBondContact O-N 3.16Å
183	C	70.8	Confident	67.2	Low	75 Å²	75	109.3 Å²	109.3	51%	0.507	63%	0.634	S	S	.	*	H	α-helix	trans	-65.9	-39	177.7	-73.9	0	0	0	0	112.7	V179 D180 K185 C186 S187	V179-C183 PolarHBondContact O-N 2.99Å; V179-C183 PolarHBondContact O-SG 3.33Å; D180-C183 PolarHBondContact O-N 3.27Å; C183-K185 VanDerWaalsContact C-N 3.31Å; C183-K185 PolarHBondContact O-N 3.01Å; C183-C186 PolarHBondContact O-N 3.3Å; C183-S187 PolarHBondContact O-OG 3.46Å
184	K	71.7	Confident	66.8	Low	166 Å²	166	108.7 Å²	108.7	72%	0.722	64%	0.64	S	S	*	*	H	α-helix	trans	-65.7	-31.1	176.2	-77.4	-179.7	177.3	177.9	0	113.2	D180	D180-K184 PolarHBondContact O-N 2.82Å
185	K	69.9	Low	66.2	Low	154 Å²	154	111.8 Å²	111.8	67%	0.67	65%	0.654	S	S	*	*	H	α-helix	trans	-76.5	-23.6	178.2	-80.3	-177.5	174.7	-174.3	0	114.3	L182 C183	L182-K185 PolarHBondContact O-N 2.91Å; C183-K185 VanDerWaalsContact C-N 3.31Å; C183-K185 PolarHBondContact O-N 3.01Å
186	C	61.9	Low	66	Low	103 Å²	103	110 Å²	110	70%	0.696	65%	0.649	S	S	*	*	H	α-helix	trans	-79.6	-21.7	174.6	-76.9	0	0	0	0	113.2	L182 C183	L182-C186 PolarHBondContact O-N 3.16Å; C183-C186 PolarHBondContact O-N 3.3Å
187	S	60.3	Low	65.8	Low	96 Å²	96	108.5 Å²	108.5	67%	0.671	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-6.2	-175.8	-51.5	0	0	0	0	113.9	C183	C183-S187 PolarHBondContact O-OG 3.46Å
188	S	60.7	Low	65.1	Low	100 Å²	100	110 Å²	110	70%	0.699	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	17	-178.4	64.2	0	0	0	0	113.8
189	S	54.8	Low	64.5	Low	103 Å²	103	111.6 Å²	111.6	72%	0.72	68%	0.678	S	S	*	*	S	Bend	trans	-119.6	25.1	179.3	-170.2	0	0	0	0	113.1
190	T	45.8	Very low	63.4	Low	126 Å²	126	115.2 Å²	115.2	77%	0.773	70%	0.7	S	S	*	*			trans	-135.9	75	171.6	23.5	0	0	0	0	109.1
191	A	47.8	Very low	62.5	Low	176 Å²	176	116.8 Å²	116.8	100%	1.455	72%	0.716	S	S	*	*			trans	-156.8	0	158.4	0	0	0	0	0	107.5

Retrieved 191 of 191 residues in 97.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).