A0A077Z044_TRITR Loading...

Cystatin

AlphaFold DB , UniProt , Accession A0A077Z044, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 140 aa.

						>A0A077Z044_TRITR|A0A077Z044
MAIVALLFMVALVVCNASLLGGPSTMDPTSVTARDIAHKALADRNAKSNDLYHDTLIKIVEVTSQVVNGINYNMKMYIGQSKCTKKDVKPDDVKNSKCDLSNSNSAEKCTVKVYDQPWTNTFKVNEFSCETTTKQEALKA
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57	Low	58.7	Low	218 Å²	218	127.2 Å²	127.2	100%	1.074	72%	0.719	S	S	*	*				0	-21.5	0	-84.7	174.5	85.5	0	0	114.8	I3 V4	M1-I3 PolarHBondContact O-N 3.23Å; M1-V4 PolarHBondContact O-N 2.88Å
2	A	57.7	Low	58.9	Low	85 Å²	85	130.1 Å²	130.1	70%	0.702	73%	0.73	S	S	*	*	H	α-helix	trans	-67.2	-31.1	-179.6	0	0	0	0	0	115	V4 A5 L6	A2-V4 VanDerWaalsContact C-N 3.34Å; A2-V4 PolarHBondContact O-N 3.18Å; A2-A5 PolarHBondContact O-N 3.13Å; A2-L6 PolarHBondContact O-N 3.22Å
3	I	59.5	Low	59.5	Low	134 Å²	134	129.5 Å²	129.5	69%	0.687	73%	0.731	S	S	*	*	H	α-helix	trans	-69.5	-32.4	-178.9	-58.2	173.9	0	0	0	111.7	M1 A5 L6 L7	M1-I3 PolarHBondContact O-N 3.23Å; I3-A5 VanDerWaalsContact C-N 3.34Å; I3-L6 PolarHBondContact O-N 3.21Å; I3-L7 PolarHBondContact O-N 3.23Å
4	V	60.3	Low	60	Low	95 Å²	95	128.1 Å²	128.1	58%	0.576	73%	0.727	S	S	*	*	H	α-helix	trans	-69.8	-33.9	178.5	-176.4	0	0	0	0	111	M1 A2 F8	M1-V4 PolarHBondContact O-N 2.88Å; A2-V4 VanDerWaalsContact C-N 3.34Å; A2-V4 PolarHBondContact O-N 3.18Å; V4-F8 PolarHBondContact O-N 3.24Å
5	A	59.2	Low	60.3	Low	60 Å²	60	127 Å²	127	50%	0.496	73%	0.728	S	S	.	*	H	α-helix	trans	-69.8	-33.3	176.7	0	0	0	0	0	112.8	A2 I3 F8	A2-A5 PolarHBondContact O-N 3.13Å; I3-A5 VanDerWaalsContact C-N 3.34Å; A5-F8 PolarHBondContact O-N 2.83Å
6	L	56.5	Low	60.6	Low	129 Å²	129	127.9 Å²	127.9	68%	0.675	73%	0.73	S	S	*	*	H	α-helix	trans	-72.6	-34.5	179.4	-166.2	67.9	0	0	0	112.3	A2 I3 F8 M9	A2-L6 PolarHBondContact O-N 3.22Å; I3-L6 PolarHBondContact O-N 3.21Å; L6-F8 VanDerWaalsContact C-N 3.31Å; L6-M9 PolarHBondContact O-N 2.62Å
7	L	56.3	Low	60.9	Low	135 Å²	135	125.2 Å²	125.2	71%	0.707	73%	0.727	S	S	*	*	H	α-helix	trans	-70.7	-26.1	173.8	-73.8	166.3	0	0	0	112.9	I3 M9	I3-L7 PolarHBondContact O-N 3.23Å; L7-M9 VanDerWaalsContact C-N 3.32Å; L7-M9 PolarHBondContact O-N 2.6Å
8	F	58.7	Low	61.3	Low	180 Å²	180	124 Å²	124	79%	0.789	73%	0.727	S	S	*	*	H	α-helix	trans	-73.1	-20.3	176.5	-112.4	-94.7	0	0	0	113.9	V4 A5 L6	V4-F8 PolarHBondContact O-N 3.24Å; A5-F8 PolarHBondContact O-N 2.83Å; L6-F8 VanDerWaalsContact C-N 3.31Å
9	M	61	Low	61.8	Low	161 Å²	161	125.5 Å²	125.5	79%	0.793	73%	0.73	S	S	*	*	S	Bend	trans	-87.7	-18.9	-174.3	-80.8	-97.1	-81.3	0	0	114.8	L6 L7	L6-M9 PolarHBondContact O-N 2.62Å; L7-M9 VanDerWaalsContact C-N 3.32Å; L7-M9 PolarHBondContact O-N 2.6Å
10	V	61.4	Low	62.4	Low	117 Å²	117	128.3 Å²	128.3	71%	0.709	74%	0.741	S	S	*	*	S	Bend	trans	-94.9	-4.4	-166.1	-177.6	0	0	0	0	114.3
11	A	58.3	Low	63.2	Low	85 Å²	85	124.5 Å²	124.5	70%	0.702	73%	0.73	S	S	*	*			trans	-113.1	15.5	-169.7	0	0	0	0	0	116.8	V13	A11-V13 PolarHBondContact O-N 3.09Å
12	L	60.6	Low	64.8	Low	162 Å²	162	115.3 Å²	115.3	85%	0.848	69%	0.691	S	S	*	*			trans	-82.5	53.1	164.4	-74.2	169.5	0	0	0	110.7	V14	L12-V14 VanDerWaalsContact C-N 3.26Å; L12-V14 PolarHBondContact O-N 2.81Å
13	V	67	Low	66.5	Low	123 Å²	123	115.3 Å²	115.3	75%	0.745	68%	0.684	S	S	*	*			trans	-74.5	92.4	159.3	-179.9	0	0	0	0	105.4	A11 C15	A11-V13 PolarHBondContact O-N 3.09Å; V13-C15 VanDerWaalsContact C-N 3.3Å; V13-C15 PolarHBondContact O-N 3.18Å
14	V	66.1	Low	68.2	Low	110 Å²	110	111.9 Å²	111.9	67%	0.667	67%	0.672	S	S	*	*			trans	-62.5	97.5	168.6	-78.3	0	0	0	0	107.7	L12 N16	L12-V14 VanDerWaalsContact C-N 3.26Å; L12-V14 PolarHBondContact O-N 2.81Å; V14-N16 PolarHBondContact O-N 3.27Å
15	C	64.8	Low	70	Confident	111 Å²	111	113.7 Å²	113.7	75%	0.75	68%	0.683	S	S	*	*			trans	-66.7	101.2	168.9	-163.6	0	0	0	0	106	V13 A17	V13-C15 VanDerWaalsContact C-N 3.3Å; V13-C15 PolarHBondContact O-N 3.18Å; C15-A17 PolarHBondContact O-N 2.92Å
16	N	66	Low	71.7	Confident	142 Å²	142	112.4 Å²	112.4	76%	0.759	67%	0.667	S	S	*	*			trans	-69.1	69.9	172	-67.3	-31.5	0	0	0	108.4	V14 S18	V14-N16 PolarHBondContact O-N 3.27Å; N16-S18 PolarHBondContact O-N 3.36Å
17	A	65.3	Low	73.7	Confident	81 Å²	81	110.4 Å²	110.4	67%	0.669	66%	0.657	S	S	*	*			trans	-64.9	99.3	172.7	0	0	0	0	0	107.3	C15 L19	C15-A17 PolarHBondContact O-N 2.92Å; A17-L19 PolarHBondContact O-N 2.81Å
18	S	67.9	Low	75.7	Confident	104 Å²	104	105.6 Å²	105.6	73%	0.727	63%	0.634	S	S	*	*			trans	-66.1	124.1	170.4	10.6	0	0	0	0	107.2	N16 L20	N16-S18 PolarHBondContact O-N 3.36Å; S18-L20 PolarHBondContact O-N 3.19Å
19	L	71	Confident	77.5	Confident	152 Å²	152	102.1 Å²	102.1	80%	0.796	63%	0.628	S	S	*	*			trans	-58.2	105.9	173.2	-105.5	75.5	0	0	0	108.7	A17 G21 G22	A17-L19 PolarHBondContact O-N 2.81Å; L19-G21 PolarHBondContact O-N 2.75Å; L19-G22 PolarHBondContact O-N 2.84Å
20	L	73.6	Confident	79.3	Confident	181 Å²	181	95.7 Å²	95.7	95%	0.948	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	122.8	173.4	-71.4	131.5	0	0	0	108.6	S18	S18-L20 PolarHBondContact O-N 3.19Å
21	G	78.8	Confident	81	Confident	50 Å²	50	96 Å²	96	52%	0.515	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	92.1	-4.6	-178.5	0	0	0	0	0	115.9	L19 Q65	L19-G21 PolarHBondContact O-N 2.75Å; G21-Q65 WeakPolarHBondContact O-CG 3.42Å; G21-Q65 PolarHBondContact O-NE2 3.1Å
22	G	90.4	Very high	82.9	Confident	24 Å²	24	95.1 Å²	95.1	25%	0.247	59%	0.587	C	S	.	*	S	Bend	trans	-74	168.8	169.2	0	0	0	0	0	112.7	L19 S24	L19-G22 PolarHBondContact O-N 2.84Å; G22-S24 PolarHBondContact O-N 3.5Å
23	P	94.1	Very high	84.7	Confident	86 Å²	86	87.4 Å²	87.4	56%	0.558	55%	0.546	S	S	*	.			trans	-57.5	132.4	167.5	-22.3	33.8	0	0	0	110.9
24	S	95.2	Very high	86.1	Confident	61 Å²	61	88.1 Å²	88.1	43%	0.427	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.8	176	61.4	0	0	0	0	109.7	G22 M26 T63 S64	G22-S24 PolarHBondContact O-N 3.5Å; S24-M26 PolarHBondContact O-N 2.91Å; S24-T63 CarbonylContact O-C 3.53Å; S24-T63 WeakPolarHBondContact O-CA 3.42Å; S24-T63 WeakPolarHBondContact O-CB 3.49Å; S24-S64 PolarHBondContact N-O 2.7Å; S24-S64 PolarHBondContact O-N 2.68Å; S24-S64 PolarHBondContact OG-O 2.91Å; S24-S64 PolarHBondContact OG-OG 3.11Å
25	T	96.8	Very high	87.6	Confident	133 Å²	133	85 Å²	85	82%	0.816	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	133.1	174.8	-56.3	0	0	0	0	109.7
26	M	96.4	Very high	89.2	Confident	33 Å²	33	79.9 Å²	79.9	16%	0.163	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149.9	177.9	172.3	175	-169.9	0	0	109.1	S24 P28 S30 T32 A33 V62 Y72	S24-M26 PolarHBondContact O-N 2.91Å; M26-P28 VanDerWaalsContact O-CD 3.22Å; M26-P28 WeakPolarHBondContact O-CD 3.44Å; M26-S30 VanDerWaalsContact CE-OG 3.24Å; M26-S30 WeakPolarHBondContact CE-OG 3.35Å; M26-T32 HydrophobicContact CE-CG2 3.59Å; M26-A33 HydrophobicContact CE-CB 4.32Å; M26-V62 HydrophobicContact CB-CG1 3.82Å; M26-V62 HydrophobicContact CB-CG2 4.24Å; M26-V62 HydrophobicContact CG-CG1 3.9Å; M26-V62 HydrophobicContact CG-CG2 4.37Å; M26-V62 PolarHBondContact N-O 3.4Å; M26-V62 VanDerWaalsContact O-CG1 3.24Å; M26-V62 WeakPolarHBondContact O-CG1 3.47Å; M26-V62 HydrophobicContact SD-CG2 4.03Å; M26-Y72 HydrophobicContact SD-CD1 4.21Å; M26-Y72 HydrophobicContact SD-CE1 3.91Å
27	D	97.7	Very high	90.8	Very high	87 Å²	87	73.1 Å²	73.1	47%	0.465	44%	0.444	S	S	.	.			trans	-65.6	117.3	176.5	174	9.6	0	0	0	110.6	T29 S30	D27-T29 VanDerWaalsContact CG-OG1 3.25Å; D27-T29 PolarHBondContact O-N 3.36Å; D27-T29 VanDerWaalsContact O-N 3.16Å; D27-T29 WeakPolarHBondContact OD1-CB 3.46Å; D27-T29 PolarHBondContact OD1-N 3.4Å; D27-T29 PolarHBondContact OD1-OG1 3.06Å; D27-T29 PolarHBondContact OD2-OG1 3.45Å; D27-S30 VanDerWaalsContact O-CB 3.28Å; D27-S30 WeakPolarHBondContact O-CB 3.48Å; D27-S30 PolarHBondContact O-N 3.41Å; D27-S30 VanDerWaalsContact O-N 3.1Å; D27-S30 PolarHBondContact O-OG 3.36Å
28	P	98	Very high	92.3	Very high	34 Å²	34	70.8 Å²	70.8	22%	0.221	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.8	177.6	-22.9	34.8	0	0	0	114.2	M26 I59 V60 V62	M26-P28 VanDerWaalsContact O-CD 3.22Å; M26-P28 WeakPolarHBondContact O-CD 3.44Å; P28-I59 HydrophobicContact CB-CB 4.13Å; P28-I59 HydrophobicContact CB-CG2 3.92Å; P28-V60 WeakPolarHBondContact CG-O 3.35Å; P28-V62 HydrophobicContact CB-CG1 4.36Å; P28-V62 HydrophobicContact CG-CG1 4.26Å
29	T	97	Very high	93.7	Very high	108 Å²	108	70.1 Å²	70.1	66%	0.663	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-6.9	180	73.7	0	0	0	0	113.3	D27	D27-T29 VanDerWaalsContact CG-OG1 3.25Å; D27-T29 PolarHBondContact O-N 3.36Å; D27-T29 VanDerWaalsContact O-N 3.16Å; D27-T29 WeakPolarHBondContact OD1-CB 3.46Å; D27-T29 PolarHBondContact OD1-N 3.4Å; D27-T29 PolarHBondContact OD1-OG1 3.06Å; D27-T29 PolarHBondContact OD2-OG1 3.45Å
30	S	98.1	Very high	95.1	Very high	26 Å²	26	62.9 Å²	62.9	18%	0.182	37%	0.365	C	S	.	.	S	Bend	trans	-61.7	149.8	-179.3	67.2	0	0	0	0	112.6	M26 D27 T32 A33 R34	M26-S30 VanDerWaalsContact CE-OG 3.24Å; M26-S30 WeakPolarHBondContact CE-OG 3.35Å; D27-S30 VanDerWaalsContact O-CB 3.28Å; D27-S30 WeakPolarHBondContact O-CB 3.48Å; D27-S30 PolarHBondContact O-N 3.41Å; D27-S30 VanDerWaalsContact O-N 3.1Å; D27-S30 PolarHBondContact O-OG 3.36Å; S30-T32 PolarHBondContact O-N 3.38Å; S30-A33 PolarHBondContact O-N 3.45Å; S30-A33 VanDerWaalsContact OG-CB 3.29Å; S30-A33 WeakPolarHBondContact OG-CB 3.45Å; S30-A33 PolarHBondContact OG-N 2.88Å; S30-R34 PolarHBondContact O-N 3.46Å; S30-R34 VanDerWaalsContact O-N 3.11Å
31	V	97.7	Very high	96.2	Very high	124 Å²	124	54.4 Å²	54.4	75%	0.752	32%	0.321	S	S	*	.	H	α-helix	trans	-55.8	-41.8	177.9	176.4	0	0	0	0	111.1	R34 D35	V31-R34 PolarHBondContact O-N 3.05Å; V31-D35 WeakPolarHBondContact O-CB 3.16Å; V31-D35 PolarHBondContact O-N 3.48Å
32	T	97.3	Very high	97.1	Very high	66 Å²	66	52.3 Å²	52.3	41%	0.405	30%	0.299	S	S	.	.	H	α-helix	trans	-65.3	-45.4	178.8	-54.6	0	0	0	0	111.8	M26 S30 R34 D35 I36 Y72	M26-T32 HydrophobicContact CE-CG2 3.59Å; S30-T32 PolarHBondContact O-N 3.38Å; T32-R34 VanDerWaalsContact C-N 3.29Å; T32-R34 PolarHBondContact O-N 3.33Å; T32-D35 PolarHBondContact O-N 2.99Å; T32-D35 VanDerWaalsContact O-N 3.11Å; T32-I36 HydrophobicContact CG2-CG1 4.36Å; T32-I36 WeakPolarHBondContact O-CG1 3.49Å; T32-I36 PolarHBondContact O-N 2.81Å; T32-Y72 HydrophobicContact CG2-CE1 4.46Å
33	A	98.4	Very high	97.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.1	-43.2	177.8	0	0	0	0	0	111.4	M26 S30 A37 I59 V62	M26-A33 HydrophobicContact CE-CB 4.32Å; S30-A33 PolarHBondContact O-N 3.45Å; S30-A33 VanDerWaalsContact OG-CB 3.29Å; S30-A33 WeakPolarHBondContact OG-CB 3.45Å; S30-A33 PolarHBondContact OG-N 2.88Å; A33-A37 WeakPolarHBondContact O-CB 3.34Å; A33-A37 PolarHBondContact O-N 3.5Å; A33-I59 HydrophobicContact CB-CD1 4.13Å; A33-I59 WeakPolarHBondContact O-CD1 3.41Å; A33-V62 HydrophobicContact CB-CG1 3.99Å
34	R	97.7	Very high	97.7	Very high	138 Å²	138	51.6 Å²	51.6	52%	0.521	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-41.9	174.8	-66.4	-179.4	66.3	166.1	1.9	112.3	S30 V31 T32 A37 H38 I59	S30-R34 PolarHBondContact O-N 3.46Å; S30-R34 VanDerWaalsContact O-N 3.11Å; V31-R34 PolarHBondContact O-N 3.05Å; T32-R34 VanDerWaalsContact C-N 3.29Å; T32-R34 PolarHBondContact O-N 3.33Å; R34-A37 PolarHBondContact O-N 2.94Å; R34-H38 PolarHBondContact O-CD2 2.79Å; R34-H38 PolarHBondContact O-N 2.74Å; R34-I59 HydrophobicContact CG-CD1 4.27Å
35	D	97.6	Very high	97.8	Very high	45 Å²	45	48.8 Å²	48.8	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-46	179.5	-165.2	64	0	0	0	112.5	V31 T32 A37 H38 K39 K94	V31-D35 WeakPolarHBondContact O-CB 3.16Å; V31-D35 PolarHBondContact O-N 3.48Å; T32-D35 PolarHBondContact O-N 2.99Å; T32-D35 VanDerWaalsContact O-N 3.11Å; D35-A37 VanDerWaalsContact C-N 3.31Å; D35-A37 PolarHBondContact O-N 2.72Å; D35-H38 PolarHBondContact O-N 3.15Å; D35-K39 WeakPolarHBondContact O-CG 3.33Å; D35-K39 PolarHBondContact O-N 3.03Å; D35-K39 WeakPolarHBondContact OD2-CE 3.28Å; D35-K39 IonicContact OD2-NZ 2.72Å; D35-K39 PolarHBondContact OD2-NZ 3.28Å; D35-K94 IonicContact OD1-NZ 2.68Å; D35-K94 PolarHBondContact OD1-NZ 3.26Å
36	I	98.3	Very high	97.8	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-43.5	175	-60.9	-60.5	0	0	0	110.6	T32 K39 A40 Y72 M74 V113 F122	T32-I36 HydrophobicContact CG2-CG1 4.36Å; T32-I36 WeakPolarHBondContact O-CG1 3.49Å; T32-I36 PolarHBondContact O-N 2.81Å; I36-K39 PolarHBondContact O-N 2.88Å; I36-A40 WeakPolarHBondContact O-CB 3.32Å; I36-A40 PolarHBondContact O-N 3.43Å; I36-Y72 HydrophobicContact CD1-CD2 3.84Å; I36-Y72 HydrophobicContact CD1-CE2 3.56Å; I36-Y72 HydrophobicContact CG1-CD1 4.44Å; I36-Y72 HydrophobicContact CG1-CD2 3.94Å; I36-Y72 HydrophobicContact CG1-CE1 4.39Å; I36-Y72 HydrophobicContact CG1-CE2 3.87Å; I36-Y72 HydrophobicContact CG1-CG 4.22Å; I36-Y72 HydrophobicContact CG2-CD2 4.12Å; I36-Y72 HydrophobicContact CG2-CG 4.14Å; I36-M74 HydrophobicContact CB-SD 4.27Å; I36-M74 HydrophobicContact CG2-SD 3.84Å; I36-V113 HydrophobicContact CG2-CB 4.04Å; I36-V113 HydrophobicContact CG2-CG1 4.09Å; I36-V113 HydrophobicContact CG2-CG2 3.91Å; I36-F122 HydrophobicContact CD1-CE2 3.76Å; I36-F122 HydrophobicContact CG2-CE2 4.4Å; I36-F122 HydrophobicContact CG2-CZ 4.4Å
37	A	98.4	Very high	97.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-43.8	177	0	0	0	0	0	113.6	A33 R34 D35 A40 L41 L56 I59 M74 M76	A33-A37 WeakPolarHBondContact O-CB 3.34Å; A33-A37 PolarHBondContact O-N 3.5Å; R34-A37 PolarHBondContact O-N 2.94Å; D35-A37 VanDerWaalsContact C-N 3.31Å; D35-A37 PolarHBondContact O-N 2.72Å; A37-A40 PolarHBondContact O-N 2.93Å; A37-L41 WeakPolarHBondContact O-CB 3.49Å; A37-L41 PolarHBondContact O-N 3.39Å; A37-L56 HydrophobicContact CB-CD1 4.28Å; A37-L56 HydrophobicContact CB-CD2 4.13Å; A37-I59 HydrophobicContact CB-CD1 3.71Å; A37-I59 HydrophobicContact CB-CG1 4.22Å; A37-M74 HydrophobicContact CB-CE 3.71Å; A37-M74 HydrophobicContact CB-SD 4.37Å; A37-M76 HydrophobicContact CB-SD 3.92Å
38	H	98	Very high	97.8	Very high	31 Å²	31	48.5 Å²	48.5	14%	0.144	26%	0.262	C	S	.	.	H	α-helix	trans	-67.3	-39.3	177.6	-75.1	-61.4	0	0	0	112.5	R34 D35 L41 A42 K94	R34-H38 PolarHBondContact O-CD2 2.79Å; R34-H38 PolarHBondContact O-N 2.74Å; D35-H38 PolarHBondContact O-N 3.15Å; H38-L41 PolarHBondContact O-N 2.87Å; H38-A42 WeakPolarHBondContact O-CB 3.24Å; H38-A42 PolarHBondContact O-N 2.83Å; H38-K94 HydrophobicContact CB-CB 4.13Å; H38-K94 HydrophobicContact CB-CD 3.82Å; H38-K94 HydrophobicContact CB-CG 4.21Å
39	K	98	Very high	97.7	Very high	90 Å²	90	54.9 Å²	54.9	39%	0.391	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-41.7	174.1	-74.7	172.6	172.6	160.3	0	112.1	D35 I36 L41 A42 D43 F122	D35-K39 WeakPolarHBondContact O-CG 3.33Å; D35-K39 PolarHBondContact O-N 3.03Å; D35-K39 WeakPolarHBondContact OD2-CE 3.28Å; D35-K39 IonicContact OD2-NZ 2.72Å; D35-K39 PolarHBondContact OD2-NZ 3.28Å; I36-K39 PolarHBondContact O-N 2.88Å; K39-L41 VanDerWaalsContact C-N 3.33Å; K39-L41 PolarHBondContact O-N 2.84Å; K39-A42 PolarHBondContact O-N 3.42Å; K39-D43 PolarHBondContact O-N 3.05Å; K39-F122 HydrophobicContact CB-CD1 4.38Å; K39-F122 HydrophobicContact CB-CE1 3.68Å; K39-F122 HydrophobicContact CB-CE2 3.87Å; K39-F122 HydrophobicContact CB-CZ 3.37Å; K39-F122 HydrophobicContact CD-CD2 4.1Å; K39-F122 HydrophobicContact CD-CE2 3.85Å; K39-F122 HydrophobicContact CD-CZ 4.24Å; K39-F122 HydrophobicContact CG-CZ 4.46Å
40	A	98.5	Very high	97.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-39.2	175.2	0	0	0	0	0	112	I36 A37 D43 R44 V111 V113 V124 F127	I36-A40 WeakPolarHBondContact O-CB 3.32Å; I36-A40 PolarHBondContact O-N 3.43Å; A37-A40 PolarHBondContact O-N 2.93Å; A40-D43 PolarHBondContact O-N 3.3Å; A40-R44 PolarHBondContact O-N 3.11Å; A40-V111 HydrophobicContact CB-CG1 3.88Å; A40-V113 HydrophobicContact CB-CG2 4.09Å; A40-V124 HydrophobicContact CB-CG2 3.98Å; A40-F127 HydrophobicContact CB-CE2 4.22Å; A40-F127 WeakPolarHBondContact O-CE2 3.39Å
41	L	98.1	Very high	97.5	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-39	173.3	-86.6	168.9	0	0	0	112.6	A37 H38 K39 D43 R44 N45 D54 L56 M76 I78 F127	A37-L41 WeakPolarHBondContact O-CB 3.49Å; A37-L41 PolarHBondContact O-N 3.39Å; H38-L41 PolarHBondContact O-N 2.87Å; K39-L41 VanDerWaalsContact C-N 3.33Å; K39-L41 PolarHBondContact O-N 2.84Å; L41-D43 VanDerWaalsContact C-N 3.34Å; L41-R44 PolarHBondContact O-N 3.35Å; L41-N45 VanDerWaalsContact O-CB 3.3Å; L41-N45 WeakPolarHBondContact O-CB 3.33Å; L41-N45 PolarHBondContact O-N 2.86Å; L41-N45 PolarHBondContact O-ND2 2.74Å; L41-D54 HydrophobicContact CD2-CB 4.02Å; L41-L56 HydrophobicContact CD1-CB 3.7Å; L41-L56 HydrophobicContact CD1-CD1 4.35Å; L41-M76 HydrophobicContact CD2-CE 4.35Å; L41-M76 HydrophobicContact CG-CE 3.99Å; L41-I78 HydrophobicContact CD1-CG2 4.37Å; L41-I78 HydrophobicContact CD2-CB 4.34Å; L41-I78 HydrophobicContact CD2-CD1 4.39Å; L41-I78 HydrophobicContact CD2-CG2 3.83Å; L41-I78 HydrophobicContact CG-CG2 4.45Å; L41-F127 HydrophobicContact CD2-CZ 4.1Å
42	A	97.9	Very high	97.5	Very high	6 Å²	6	53.7 Å²	53.7	5%	0.05	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-45	174.4	0	0	0	0	0	111	H38 K39 N45 A46 P90	H38-A42 WeakPolarHBondContact O-CB 3.24Å; H38-A42 PolarHBondContact O-N 2.83Å; K39-A42 PolarHBondContact O-N 3.42Å; A42-N45 PolarHBondContact O-N 2.9Å; A42-A46 WeakPolarHBondContact O-CB 3.29Å; A42-A46 PolarHBondContact O-N 3.25Å; A42-P90 HydrophobicContact CB-CB 4.39Å; A42-P90 WeakPolarHBondContact O-CB 3.35Å
43	D	98.3	Very high	97.6	Very high	47 Å²	47	50.5 Å²	50.5	25%	0.251	25%	0.252	S	S	.	.	H	α-helix	trans	-59.7	-46.2	174.2	176.5	85	0	0	0	112.4	K39 A40 L41 A46 K47 V124	K39-D43 PolarHBondContact O-N 3.05Å; A40-D43 PolarHBondContact O-N 3.3Å; L41-D43 VanDerWaalsContact C-N 3.34Å; D43-A46 PolarHBondContact O-N 2.95Å; D43-K47 WeakPolarHBondContact O-CG 3.22Å; D43-K47 PolarHBondContact O-N 3.43Å; D43-K47 WeakPolarHBondContact OD1-CE 3.46Å; D43-K47 IonicContact OD1-NZ 2.7Å; D43-K47 PolarHBondContact OD1-NZ 2.96Å; D43-K47 WeakPolarHBondContact OD2-CE 3.5Å; D43-K47 IonicContact OD2-NZ 2.78Å; D43-K47 PolarHBondContact OD2-NZ 3.49Å; D43-V124 HydrophobicContact CB-CG2 3.76Å; D43-V124 WeakPolarHBondContact OD2-CB 3.38Å
44	R	98	Very high	97.5	Very high	48 Å²	48	51 Å²	51	18%	0.181	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-47.4	174	172.4	175.4	173.1	125.6	-7.9	111.9	A40 L41 A46 K47 S48 D54 I78 E107 F127 C129	A40-R44 PolarHBondContact O-N 3.11Å; L41-R44 PolarHBondContact O-N 3.35Å; R44-A46 VanDerWaalsContact C-N 3.3Å; R44-A46 PolarHBondContact O-N 2.91Å; R44-K47 PolarHBondContact O-N 3.28Å; R44-K47 VanDerWaalsContact O-N 3.14Å; R44-S48 WeakPolarHBondContact O-CB 3.36Å; R44-S48 PolarHBondContact O-N 3.05Å; R44-D54 IonicContact CZ-OD2 3.45Å; R44-D54 IonicContact NE-OD2 2.8Å; R44-D54 PolarHBondContact NE-OD2 3.41Å; R44-D54 IonicContact NH2-OD2 3.26Å; R44-D54 PolarHBondContact NH2-OD2 3.27Å; R44-I78 VanDerWaalsContact CZ-CD1 3.48Å; R44-E107 IonicContact CZ-OE1 3.86Å; R44-E107 IonicContact NH1-OE1 3.9Å; R44-E107 VanDerWaalsContact NH2-CD 3.26Å; R44-E107 IonicContact NH2-OE1 2.94Å; R44-E107 PolarHBondContact NH2-OE1 2.84Å; R44-E107 IonicContact NH2-OE2 2.86Å; R44-E107 PolarHBondContact NH2-OE2 2.04Å; R44-F127 HydrophobicContact CB-CD2 3.94Å; R44-F127 HydrophobicContact CB-CE2 3.71Å; R44-F127 HydrophobicContact CB-CZ 4.17Å; R44-F127 VanDerWaalsContact CD-CE1 3.41Å; R44-F127 HydrophobicContact CG-CE2 4.38Å; R44-F127 HydrophobicContact CG-CZ 4.38Å; R44-C129 PolarHBondContact NH1-SG 3.42Å
45	N	97.8	Very high	97.5	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.011	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-34.1	-178.1	-80.8	-33.7	0	0	0	112.4	L41 A42 K47 D54 K85 P90	L41-N45 VanDerWaalsContact O-CB 3.3Å; L41-N45 WeakPolarHBondContact O-CB 3.33Å; L41-N45 PolarHBondContact O-N 2.86Å; L41-N45 PolarHBondContact O-ND2 2.74Å; A42-N45 PolarHBondContact O-N 2.9Å; N45-K47 VanDerWaalsContact C-N 3.33Å; N45-D54 PolarHBondContact ND2-O 3.43Å; N45-D54 PolarHBondContact OD1-N 2.78Å; N45-K85 WeakPolarHBondContact O-CE 3.49Å; N45-K85 PolarHBondContact O-NZ 3.45Å; N45-K85 VanDerWaalsContact O-NZ 3.14Å; N45-P90 HydrophobicContact CB-CB 3.98Å; N45-P90 HydrophobicContact CB-CG 4.41Å
46	A	97.3	Very high	97.4	Very high	71 Å²	71	44.6 Å²	44.6	59%	0.587	23%	0.231	S	C	*	.	H	α-helix	trans	-68.5	-30.4	174.1	0	0	0	0	0	112.9	A42 D43 R44 P90	A42-A46 WeakPolarHBondContact O-CB 3.29Å; A42-A46 PolarHBondContact O-N 3.25Å; D43-A46 PolarHBondContact O-N 2.95Å; R44-A46 VanDerWaalsContact C-N 3.3Å; R44-A46 PolarHBondContact O-N 2.91Å; A46-P90 HydrophobicContact CB-CB 4.32Å; A46-P90 HydrophobicContact CB-CG 4.13Å
47	K	96.9	Very high	97.3	Very high	136 Å²	136	45.9 Å²	45.9	59%	0.591	24%	0.237	S	C	*	.	H	α-helix	trans	-90.5	-24.4	179.4	-68.4	170.1	-176.4	165.5	0	113.9	D43 R44 N45	D43-K47 WeakPolarHBondContact O-CG 3.22Å; D43-K47 PolarHBondContact O-N 3.43Å; D43-K47 WeakPolarHBondContact OD1-CE 3.46Å; D43-K47 IonicContact OD1-NZ 2.7Å; D43-K47 PolarHBondContact OD1-NZ 2.96Å; D43-K47 WeakPolarHBondContact OD2-CE 3.5Å; D43-K47 IonicContact OD2-NZ 2.78Å; D43-K47 PolarHBondContact OD2-NZ 3.49Å; R44-K47 PolarHBondContact O-N 3.28Å; R44-K47 VanDerWaalsContact O-N 3.14Å; N45-K47 VanDerWaalsContact C-N 3.33Å
48	S	96.2	Very high	97.2	Very high	39 Å²	39	49.7 Å²	49.7	27%	0.273	25%	0.254	S	S	.	.			trans	-72	145.3	179.5	167.2	0	0	0	0	111.4	R44 D50 K85	R44-S48 WeakPolarHBondContact O-CB 3.36Å; R44-S48 PolarHBondContact O-N 3.05Å; S48-D50 WeakPolarHBondContact OG-CB 3.4Å; S48-D50 PolarHBondContact OG-N 2.83Å; S48-D50 VanDerWaalsContact OG-N 3.11Å; S48-K85 VanDerWaalsContact C-NZ 3.27Å; S48-K85 PolarHBondContact O-NZ 3.43Å; S48-K85 PolarHBondContact OG-NZ 2.91Å
49	N	95.5	Very high	97.3	Very high	168 Å²	168	48.8 Å²	48.8	90%	0.898	25%	0.25	S	C	*	.			trans	-94.7	6.3	172.9	-69.2	-38.4	0	0	0	113.5
50	D	96.1	Very high	97.2	Very high	59 Å²	59	46.2 Å²	46.2	32%	0.316	24%	0.242	S	C	.	.			trans	-63.2	148.5	174.6	-163.2	-34.4	0	0	0	110.6	S48 Y52 Q80 K85	S48-D50 WeakPolarHBondContact OG-CB 3.4Å; S48-D50 PolarHBondContact OG-N 2.83Å; S48-D50 VanDerWaalsContact OG-N 3.11Å; D50-Y52 VanDerWaalsContact C-N 3.32Å; D50-Y52 PolarHBondContact OD1-N 2.87Å; D50-Q80 PolarHBondContact OD2-NE2 3.36Å; D50-K85 WeakPolarHBondContact O-CD 3.22Å; D50-K85 WeakPolarHBondContact O-CE 3.47Å; D50-K85 PolarHBondContact O-NZ 2.85Å
51	L	96.5	Very high	97.2	Very high	87 Å²	87	50.8 Å²	50.8	46%	0.455	26%	0.263	S	S	.	.	S	Bend	trans	-67.2	-32.7	172.3	178.5	61.3	0	0	0	112.3	T84 K85	L51-T84 WeakPolarHBondContact O-CA 3.33Å; L51-K85 PolarHBondContact O-N 2.82Å
52	Y	97.4	Very high	97.2	Very high	87 Å²	87	50.8 Å²	50.8	34%	0.341	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	157	-177.5	-59.1	-83.3	0	0	0	111.6	D50 Q80 C83 T84	D50-Y52 VanDerWaalsContact C-N 3.32Å; D50-Y52 PolarHBondContact OD1-N 2.87Å; Y52-Q80 HydrophobicContact CG-CG 4.27Å; Y52-C83 WeakPolarHBondContact CA-O 3.32Å; Y52-T84 HydrophobicContact CD1-CG2 4.17Å; Y52-T84 HydrophobicContact CE1-CG2 3.92Å
53	H	97.7	Very high	97.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	142.2	171.6	-68.4	-74.3	0	0	0	111.3	S81 C83 V88 V93	H53-S81 WeakPolarHBondContact O-CA 3.37Å; H53-S81 WeakPolarHBondContact O-CB 3.43Å; H53-S81 PolarHBondContact O-N 2.91Å; H53-S81 PolarHBondContact O-OG 2.75Å; H53-C83 PolarHBondContact N-O 2.99Å; H53-V88 PolarHBondContact CE1-O 2.84Å; H53-V88 PolarHBondContact NE2-O 3.14Å; H53-V93 HydrophobicContact CB-CG1 4.37Å; H53-V93 HydrophobicContact CB-CG2 3.84Å; H53-V93 VanDerWaalsContact CG-CG2 3.46Å
54	D	97.4	Very high	97.2	Very high	11 Å²	11	51.2 Å²	51.2	6%	0.059	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	141.2	159.1	-69.1	-34.3	0	0	0	109.9	L41 R44 N45 I78	L41-D54 HydrophobicContact CD2-CB 4.02Å; R44-D54 IonicContact CZ-OD2 3.45Å; R44-D54 IonicContact NE-OD2 2.8Å; R44-D54 PolarHBondContact NE-OD2 3.41Å; R44-D54 IonicContact NH2-OD2 3.26Å; R44-D54 PolarHBondContact NH2-OD2 3.27Å; N45-D54 PolarHBondContact ND2-O 3.43Å; N45-D54 PolarHBondContact OD1-N 2.78Å; D54-I78 HydrophobicContact CB-CD1 4.17Å
55	T	96.6	Very high	97.2	Very high	15 Å²	15	51.5 Å²	51.5	9%	0.092	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	159.2	175.5	-168	0	0	0	0	111.3	I78 G79 L100	T55-I78 CarbonylContact O-C 3.53Å; T55-I78 VanDerWaalsContact O-CA 3.28Å; T55-I78 WeakPolarHBondContact O-CA 3.15Å; T55-G79 PolarHBondContact N-O 2.8Å; T55-G79 PolarHBondContact O-N 2.91Å; T55-L100 HydrophobicContact CG2-CD2 3.47Å; T55-L100 VanDerWaalsContact CG2-CD2 3.47Å; T55-L100 HydrophobicContact CG2-CG 4.13Å
56	L	96.9	Very high	97.1	Very high	32 Å²	32	56.4 Å²	56.4	17%	0.168	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	127.8	-177	-173.6	66.1	0	0	0	110.5	A37 L41 I59 M76	A37-L56 HydrophobicContact CB-CD1 4.28Å; A37-L56 HydrophobicContact CB-CD2 4.13Å; L41-L56 HydrophobicContact CD1-CB 3.7Å; L41-L56 HydrophobicContact CD1-CD1 4.35Å; L56-I59 HydrophobicContact CD1-CG1 4.04Å; L56-I59 HydrophobicContact CD2-CD1 4.21Å; L56-I59 HydrophobicContact CD2-CG1 4.03Å; L56-M76 HydrophobicContact CD1-CB 4.06Å; L56-M76 HydrophobicContact CD1-CG 4.33Å; L56-M76 HydrophobicContact CD1-SD 3.96Å
57	I	96.5	Very high	97	Very high	31 Å²	31	56 Å²	56	16%	0.159	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-57.7	168.2	-58.7	177.4	0	0	0	109.4	Y77 I78 L100 A106 A137 L138	I57-Y77 WeakPolarHBondContact CB-O 3.44Å; I57-Y77 PolarHBondContact N-O 2.92Å; I57-I78 WeakPolarHBondContact CD1-O 3.49Å; I57-L100 HydrophobicContact CD1-CD1 4.38Å; I57-L100 HydrophobicContact CD1-CD2 4.26Å; I57-L100 HydrophobicContact CG1-CD1 3.93Å; I57-L100 HydrophobicContact CG1-CD2 3.84Å; I57-A106 HydrophobicContact CD1-CB 3.79Å; I57-A137 HydrophobicContact CD1-CB 3.91Å; I57-A137 HydrophobicContact CG2-CB 4.01Å; I57-L138 HydrophobicContact CG2-CD2 3.79Å; I57-L138 HydrophobicContact CG2-CG 4.3Å
58	K	96.7	Very high	96.9	Very high	79 Å²	79	55.1 Å²	55.1	34%	0.343	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	142.7	-176.2	-176.5	174.8	-175.4	-169.8	0	111.5	M76 Y77 A140	K58-M76 CarbonylContact O-C 3.49Å; K58-M76 VanDerWaalsContact O-CA 3.27Å; K58-M76 WeakPolarHBondContact O-CA 3.3Å; K58-M76 WeakPolarHBondContact O-CB 3.29Å; K58-Y77 PolarHBondContact N-O 3.38Å; K58-Y77 PolarHBondContact O-N 3.01Å; K58-A140 WeakPolarHBondContact CD-O 3.37Å; K58-A140 WeakPolarHBondContact CE-O 3.38Å; K58-A140 PolarHBondContact NZ-O 3.19Å; K58-A140 PolarHBondContact NZ-OXT 3.45Å
59	I	98.3	Very high	97	Very high	12 Å²	12	53.3 Å²	53.3	6%	0.062	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	126	164.2	-52.2	173.5	0	0	0	107.5	P28 A33 R34 A37 L56 V62 M76	P28-I59 HydrophobicContact CB-CB 4.13Å; P28-I59 HydrophobicContact CB-CG2 3.92Å; A33-I59 HydrophobicContact CB-CD1 4.13Å; A33-I59 WeakPolarHBondContact O-CD1 3.41Å; R34-I59 HydrophobicContact CG-CD1 4.27Å; A37-I59 HydrophobicContact CB-CD1 3.71Å; A37-I59 HydrophobicContact CB-CG1 4.22Å; L56-I59 HydrophobicContact CD1-CG1 4.04Å; L56-I59 HydrophobicContact CD2-CD1 4.21Å; L56-I59 HydrophobicContact CD2-CG1 4.03Å; I59-V62 HydrophobicContact CG2-CB 4.49Å; I59-M76 HydrophobicContact CG1-CB 4.4Å
60	V	97.7	Very high	97.1	Very high	37 Å²	37	47.3 Å²	47.3	22%	0.224	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-50.4	-176.6	-171.9	0	0	0	0	110.2	P28 K75 Y77	P28-V60 WeakPolarHBondContact CG-O 3.35Å; V60-K75 HydrophobicContact CB-CB 4.36Å; V60-K75 PolarHBondContact N-O 2.99Å; V60-Y77 HydrophobicContact CG2-CD2 3.45Å; V60-Y77 VanDerWaalsContact CG2-CD2 3.45Å; V60-Y77 HydrophobicContact CG2-CE2 3.39Å
61	E	98	Very high	97.2	Very high	96 Å²	96	46.5 Å²	46.5	45%	0.449	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	142.8	-177	-71.1	168.3	-153.3	0	0	108.6	M74 K75	E61-M74 CarbonylContact O-C 3.49Å; E61-M74 VanDerWaalsContact O-CA 3.3Å; E61-M74 WeakPolarHBondContact O-CA 3.39Å; E61-K75 HydrophobicContact CB-CB 4.29Å; E61-K75 PolarHBondContact N-O 3.39Å; E61-K75 PolarHBondContact O-N 3.35Å; E61-K75 IonicContact OE1-NZ 3.59Å; E61-K75 WeakPolarHBondContact OE2-CD 3.24Å; E61-K75 WeakPolarHBondContact OE2-CE 3.32Å; E61-K75 IonicContact OE2-NZ 2.75Å; E61-K75 PolarHBondContact OE2-NZ 3.17Å
62	V	98.4	Very high	97.3	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	134.5	169.7	53.4	0	0	0	0	109.3	M26 P28 A33 I59 Y72 N73 M74	M26-V62 HydrophobicContact CB-CG1 3.82Å; M26-V62 HydrophobicContact CB-CG2 4.24Å; M26-V62 HydrophobicContact CG-CG1 3.9Å; M26-V62 HydrophobicContact CG-CG2 4.37Å; M26-V62 PolarHBondContact N-O 3.4Å; M26-V62 VanDerWaalsContact O-CG1 3.24Å; M26-V62 WeakPolarHBondContact O-CG1 3.47Å; M26-V62 HydrophobicContact SD-CG2 4.03Å; P28-V62 HydrophobicContact CB-CG1 4.36Å; P28-V62 HydrophobicContact CG-CG1 4.26Å; A33-V62 HydrophobicContact CB-CG1 3.99Å; I59-V62 HydrophobicContact CG2-CB 4.49Å; V62-Y72 HydrophobicContact CG2-CD1 4.49Å; V62-N73 CarbonylContact C-O 3.6Å; V62-N73 WeakPolarHBondContact CA-O 3.28Å; V62-M74 HydrophobicContact CB-CG 4.23Å; V62-M74 HydrophobicContact CG2-CG 3.87Å; V62-M74 HydrophobicContact CG2-SD 4.4Å
63	T	98.3	Very high	97.4	Very high	39 Å²	39	41.4 Å²	41.4	24%	0.239	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.2	169	65.2	0	0	0	0	109.7	S24 Y72 N73	S24-T63 CarbonylContact O-C 3.53Å; S24-T63 WeakPolarHBondContact O-CA 3.42Å; S24-T63 WeakPolarHBondContact O-CB 3.49Å; T63-Y72 WeakPolarHBondContact O-CA 3.45Å; T63-N73 PolarHBondContact N-O 3.03Å; T63-N73 PolarHBondContact O-N 2.9Å
64	S	98	Very high	97.4	Very high	24 Å²	24	41.5 Å²	41.5	17%	0.168	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.8	175.1	73.4	0	0	0	0	110.2	S24 N71	S24-S64 PolarHBondContact N-O 2.7Å; S24-S64 PolarHBondContact O-N 2.68Å; S24-S64 PolarHBondContact OG-O 2.91Å; S24-S64 PolarHBondContact OG-OG 3.11Å; S64-N71 CarbonylContact C-O 3.46Å; S64-N71 WeakPolarHBondContact CA-O 3.37Å
65	Q	97.2	Very high	97.5	Very high	53 Å²	53	44.7 Å²	44.7	25%	0.248	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	120.6	175.7	-175.3	-177.2	29.2	0	0	109.6	G21 V67 I70 N71	G21-Q65 WeakPolarHBondContact O-CG 3.42Å; G21-Q65 PolarHBondContact O-NE2 3.1Å; Q65-V67 HydrophobicContact CG-CG1 4.25Å; Q65-V67 PolarHBondContact O-N 3.16Å; Q65-I70 WeakPolarHBondContact O-CA 3.24Å; Q65-N71 HydrophobicContact CB-CB 4.32Å; Q65-N71 PolarHBondContact N-O 2.8Å; Q65-N71 PolarHBondContact O-N 3.19Å
66	V	95.7	Very high	97.5	Very high	106 Å²	106	44 Å²	44	64%	0.642	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	126.8	174.5	-178.7	0	0	0	0	109.3
67	V	94.8	Very high	97.6	Very high	63 Å²	63	42.8 Å²	42.8	38%	0.382	23%	0.225	S	C	.	.	S	Bend	trans	-133.9	-150.4	175.4	-64.5	0	0	0	0	107.9	Q65 G69 Y114	Q65-V67 HydrophobicContact CG-CG1 4.25Å; Q65-V67 PolarHBondContact O-N 3.16Å; V67-G69 CarbonylContact C-O 3.57Å; V67-G69 WeakPolarHBondContact CG2-O 3.39Å; V67-G69 PolarHBondContact N-O 2.99Å; V67-G69 PolarHBondContact O-N 2.83Å; V67-Y114 HydrophobicContact CG2-CD2 4.34Å; V67-Y114 HydrophobicContact CG2-CE2 4Å
68	N	95.8	Very high	97.7	Very high	117 Å²	117	41.3 Å²	41.3	63%	0.626	22%	0.217	S	C	*	.	S	Bend	trans	-71.2	53	160.7	-171.1	28.6	0	0	0	110.7	Y114 Q116	N68-Y114 PolarHBondContact O-OH 2.89Å; N68-Q116 PolarHBondContact O-NE2 2.76Å
69	G	96.9	Very high	97.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.01	20%	0.202	C	C	.	.	S	Bend	trans	142	-158.7	-164.1	0	0	0	0	0	109.3	V67 D115 W118	V67-G69 CarbonylContact C-O 3.57Å; V67-G69 WeakPolarHBondContact CG2-O 3.39Å; V67-G69 PolarHBondContact N-O 2.99Å; V67-G69 PolarHBondContact O-N 2.83Å; G69-D115 CarbonylContact C-O 3.57Å; G69-D115 WeakPolarHBondContact CA-O 3.38Å; G69-W118 VanDerWaalsContact N-CH2 3.35Å
70	I	97.9	Very high	97.7	Very high	42 Å²	42	39.9 Å²	39.9	22%	0.215	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.3	176.4	-51.9	174.4	0	0	0	108.5	Q65 Y72 Y114 D115	Q65-I70 WeakPolarHBondContact O-CA 3.24Å; I70-Y72 HydrophobicContact CB-CE2 3.85Å; I70-Y72 WeakPolarHBondContact CD1-OH 3.22Å; I70-Y72 HydrophobicContact CG2-CD1 4.28Å; I70-Y72 HydrophobicContact CG2-CD2 4.1Å; I70-Y72 HydrophobicContact CG2-CE1 3.78Å; I70-Y72 HydrophobicContact CG2-CE2 3.59Å; I70-Y72 HydrophobicContact CG2-CG 4.43Å; I70-Y72 VanDerWaalsContact CG2-CZ 3.41Å; I70-Y114 WeakPolarHBondContact O-CA 3.33Å; I70-D115 PolarHBondContact N-O 3.14Å; I70-D115 PolarHBondContact O-N 3.26Å
71	N	98.5	Very high	97.6	Very high	42 Å²	42	38.1 Å²	38.1	23%	0.225	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.9	166	-68.5	-34.2	0	0	0	108.8	S64 Q65 V113 Y114	S64-N71 CarbonylContact C-O 3.46Å; S64-N71 WeakPolarHBondContact CA-O 3.37Å; Q65-N71 HydrophobicContact CB-CB 4.32Å; Q65-N71 PolarHBondContact N-O 2.8Å; Q65-N71 PolarHBondContact O-N 3.19Å; N71-V113 CarbonylContact C-O 3.47Å; N71-V113 WeakPolarHBondContact CA-O 3.21Å; N71-Y114 WeakPolarHBondContact OD1-CD2 3.41Å
72	Y	98.7	Very high	97.5	Very high	17 Å²	17	38.5 Å²	38.5	7%	0.067	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.8	168.4	-60.6	-81.8	0	0	0	109.3	M26 T32 I36 V62 T63 I70 K112 V113 D115	M26-Y72 HydrophobicContact SD-CD1 4.21Å; M26-Y72 HydrophobicContact SD-CE1 3.91Å; T32-Y72 HydrophobicContact CG2-CE1 4.46Å; I36-Y72 HydrophobicContact CD1-CD2 3.84Å; I36-Y72 HydrophobicContact CD1-CE2 3.56Å; I36-Y72 HydrophobicContact CG1-CD1 4.44Å; I36-Y72 HydrophobicContact CG1-CD2 3.94Å; I36-Y72 HydrophobicContact CG1-CE1 4.39Å; I36-Y72 HydrophobicContact CG1-CE2 3.87Å; I36-Y72 HydrophobicContact CG1-CG 4.22Å; I36-Y72 HydrophobicContact CG2-CD2 4.12Å; I36-Y72 HydrophobicContact CG2-CG 4.14Å; V62-Y72 HydrophobicContact CG2-CD1 4.49Å; T63-Y72 WeakPolarHBondContact O-CA 3.45Å; I70-Y72 HydrophobicContact CB-CE2 3.85Å; I70-Y72 WeakPolarHBondContact CD1-OH 3.22Å; I70-Y72 HydrophobicContact CG2-CD1 4.28Å; I70-Y72 HydrophobicContact CG2-CD2 4.1Å; I70-Y72 HydrophobicContact CG2-CE1 3.78Å; I70-Y72 HydrophobicContact CG2-CE2 3.59Å; I70-Y72 HydrophobicContact CG2-CG 4.43Å; I70-Y72 VanDerWaalsContact CG2-CZ 3.41Å; Y72-K112 WeakPolarHBondContact O-CA 3.47Å; Y72-V113 HydrophobicContact CD2-CG1 4.49Å; Y72-V113 PolarHBondContact N-O 2.86Å; Y72-V113 PolarHBondContact O-N 2.76Å; Y72-D115 HydrophobicContact CD2-CB 4.35Å; Y72-D115 HydrophobicContact CE2-CB 3.91Å
73	N	98.6	Very high	97.4	Very high	50 Å²	50	39.5 Å²	39.5	27%	0.267	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.4	168.8	-55.6	-90.1	0	0	0	107.7	V62 T63 V111 K112	V62-N73 CarbonylContact C-O 3.6Å; V62-N73 WeakPolarHBondContact CA-O 3.28Å; T63-N73 PolarHBondContact N-O 3.03Å; T63-N73 PolarHBondContact O-N 2.9Å; N73-V111 WeakPolarHBondContact CA-O 3.41Å; N73-K112 WeakPolarHBondContact OD1-CG 3.2Å
74	M	98.5	Very high	97.3	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.9	-174.8	-48.8	-169.7	-36.6	0	0	111.2	I36 A37 E61 V62 M76 T110 V111	I36-M74 HydrophobicContact CB-SD 4.27Å; I36-M74 HydrophobicContact CG2-SD 3.84Å; A37-M74 HydrophobicContact CB-CE 3.71Å; A37-M74 HydrophobicContact CB-SD 4.37Å; E61-M74 CarbonylContact O-C 3.49Å; E61-M74 VanDerWaalsContact O-CA 3.3Å; E61-M74 WeakPolarHBondContact O-CA 3.39Å; V62-M74 HydrophobicContact CB-CG 4.23Å; V62-M74 HydrophobicContact CG2-CG 3.87Å; V62-M74 HydrophobicContact CG2-SD 4.4Å; M74-M76 HydrophobicContact CE-SD 3.44Å; M74-M76 WeakPolarHBondContact CE-SD 3.4Å; M74-T110 WeakPolarHBondContact O-CA 2.96Å; M74-V111 HydrophobicContact CB-CB 4.49Å; M74-V111 HydrophobicContact CE-CB 4.25Å; M74-V111 HydrophobicContact CE-CG1 4.49Å; M74-V111 PolarHBondContact N-O 3.26Å; M74-V111 PolarHBondContact O-N 3.11Å
75	K	98.6	Very high	97.2	Very high	77 Å²	77	40.3 Å²	40.3	34%	0.335	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.8	160	-63.8	-179.6	-170.4	150.9	0	108.1	V60 E61 C109	V60-K75 HydrophobicContact CB-CB 4.36Å; V60-K75 PolarHBondContact N-O 2.99Å; E61-K75 HydrophobicContact CB-CB 4.29Å; E61-K75 PolarHBondContact N-O 3.39Å; E61-K75 PolarHBondContact O-N 3.35Å; E61-K75 IonicContact OE1-NZ 3.59Å; E61-K75 WeakPolarHBondContact OE2-CD 3.24Å; E61-K75 WeakPolarHBondContact OE2-CE 3.32Å; E61-K75 IonicContact OE2-NZ 2.75Å; E61-K75 PolarHBondContact OE2-NZ 3.17Å; K75-C109 VanDerWaalsContact CA-O 3.29Å; K75-C109 WeakPolarHBondContact CA-O 3.44Å
76	M	98.5	Very high	97.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	150.1	-178.6	68.6	-172.5	-164.2	0	0	111.3	A37 L41 L56 K58 I59 M74 I78 C109 V111 F127	A37-M76 HydrophobicContact CB-SD 3.92Å; L41-M76 HydrophobicContact CD2-CE 4.35Å; L41-M76 HydrophobicContact CG-CE 3.99Å; L56-M76 HydrophobicContact CD1-CB 4.06Å; L56-M76 HydrophobicContact CD1-CG 4.33Å; L56-M76 HydrophobicContact CD1-SD 3.96Å; K58-M76 CarbonylContact O-C 3.49Å; K58-M76 VanDerWaalsContact O-CA 3.27Å; K58-M76 WeakPolarHBondContact O-CA 3.3Å; K58-M76 WeakPolarHBondContact O-CB 3.29Å; I59-M76 HydrophobicContact CG1-CB 4.4Å; M74-M76 HydrophobicContact CE-SD 3.44Å; M74-M76 WeakPolarHBondContact CE-SD 3.4Å; M76-I78 HydrophobicContact CE-CG2 3.79Å; M76-I78 HydrophobicContact CG-CG2 4.19Å; M76-C109 HydrophobicContact CG-CB 4.41Å; M76-C109 PolarHBondContact N-O 2.95Å; M76-C109 PolarHBondContact O-N 2.79Å; M76-V111 HydrophobicContact CE-CG2 3.6Å; M76-V111 HydrophobicContact CG-CG2 4.32Å; M76-V111 HydrophobicContact SD-CG2 4.17Å; M76-F127 HydrophobicContact CE-CE1 4.08Å; M76-F127 HydrophobicContact CE-CE2 3.79Å; M76-F127 HydrophobicContact CE-CZ 3.28Å
77	Y	98.5	Very high	97.1	Very high	8 Å²	8	47.6 Å²	47.6	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135.3	170.1	-70.4	-84.5	0	0	0	110.2	I57 K58 V60 E107 K108 T132 E136 A137 A140	I57-Y77 WeakPolarHBondContact CB-O 3.44Å; I57-Y77 PolarHBondContact N-O 2.92Å; K58-Y77 PolarHBondContact N-O 3.38Å; K58-Y77 PolarHBondContact O-N 3.01Å; V60-Y77 HydrophobicContact CG2-CD2 3.45Å; V60-Y77 VanDerWaalsContact CG2-CD2 3.45Å; V60-Y77 HydrophobicContact CG2-CE2 3.39Å; Y77-E107 CarbonylContact C-O 3.56Å; Y77-E107 VanDerWaalsContact CA-O 3.25Å; Y77-E107 WeakPolarHBondContact CA-O 3.44Å; Y77-K108 HydrophobicContact CD1-CB 3.92Å; Y77-K108 HydrophobicContact CD1-CG 4.3Å; Y77-K108 HydrophobicContact CE1-CB 3.59Å; Y77-K108 HydrophobicContact CE1-CD 4.11Å; Y77-K108 HydrophobicContact CE1-CG 3.83Å; Y77-T132 HydrophobicContact CD1-CG2 3.62Å; Y77-T132 HydrophobicContact CE1-CG2 3.56Å; Y77-E136 PolarHBondContact OH-OE1 3.31Å; Y77-A137 HydrophobicContact CD1-CB 3.47Å; Y77-A137 VanDerWaalsContact CD1-CB 3.47Å; Y77-A137 HydrophobicContact CD2-CB 4.33Å; Y77-A137 HydrophobicContact CE1-CB 4.14Å; Y77-A137 HydrophobicContact CG-CB 3.57Å; Y77-A140 HydrophobicContact CD2-CB 4.14Å; Y77-A140 HydrophobicContact CE2-CB 3.36Å
78	I	97.9	Very high	97.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	163.5	176.3	70.2	173.4	0	0	0	109.6	L41 R44 D54 T55 I57 M76 A106 E107 C109 F127	L41-I78 HydrophobicContact CD1-CG2 4.37Å; L41-I78 HydrophobicContact CD2-CB 4.34Å; L41-I78 HydrophobicContact CD2-CD1 4.39Å; L41-I78 HydrophobicContact CD2-CG2 3.83Å; L41-I78 HydrophobicContact CG-CG2 4.45Å; R44-I78 VanDerWaalsContact CZ-CD1 3.48Å; D54-I78 HydrophobicContact CB-CD1 4.17Å; T55-I78 CarbonylContact O-C 3.53Å; T55-I78 VanDerWaalsContact O-CA 3.28Å; T55-I78 WeakPolarHBondContact O-CA 3.15Å; I57-I78 WeakPolarHBondContact CD1-O 3.49Å; M76-I78 HydrophobicContact CE-CG2 3.79Å; M76-I78 HydrophobicContact CG-CG2 4.19Å; I78-A106 WeakPolarHBondContact O-CA 3.1Å; I78-A106 WeakPolarHBondContact O-CB 3.47Å; I78-E107 HydrophobicContact CD1-CB 4.35Å; I78-E107 HydrophobicContact CG1-CB 3.81Å; I78-E107 PolarHBondContact N-O 3.14Å; I78-E107 PolarHBondContact O-N 2.88Å; I78-C109 VanDerWaalsContact CD1-SG 3.59Å; I78-F127 HydrophobicContact CD1-CE1 4.13Å; I78-F127 HydrophobicContact CD1-CZ 4.36Å
79	G	97.2	Very high	97.2	Very high	3 Å²	3	46.8 Å²	46.8	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	158.8	170.9	0	0	0	0	0	111.9	T55 S81	T55-G79 PolarHBondContact N-O 2.8Å; T55-G79 PolarHBondContact O-N 2.91Å; G79-S81 PolarHBondContact O-N 2.87Å
80	Q	97.3	Very high	97.1	Very high	57 Å²	57	48.2 Å²	48.2	27%	0.266	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	133.4	178	-168.2	-177.5	76	0	0	110.3	D50 Y52 S101	D50-Q80 PolarHBondContact OD2-NE2 3.36Å; Y52-Q80 HydrophobicContact CG-CG 4.27Å; Q80-S101 WeakPolarHBondContact O-CB 3.3Å; Q80-S101 PolarHBondContact O-N 3.47Å; Q80-S101 PolarHBondContact O-OG 2.88Å
81	S	96.8	Very high	96.9	Very high	1 Å²	1	52 Å²	52	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	172.7	175.4	76.2	0	0	0	0	112.2	H53 G79 C83 D99	H53-S81 WeakPolarHBondContact O-CA 3.37Å; H53-S81 WeakPolarHBondContact O-CB 3.43Å; H53-S81 PolarHBondContact O-N 2.91Å; H53-S81 PolarHBondContact O-OG 2.75Å; G79-S81 PolarHBondContact O-N 2.87Å; S81-C83 VanDerWaalsContact C-N 3.34Å; S81-C83 PolarHBondContact OG-N 3.3Å; S81-D99 CarbonylContact C-O 3.57Å; S81-D99 WeakPolarHBondContact CA-O 3.27Å; S81-D99 WeakPolarHBondContact CB-O 3.12Å
82	K	96.2	Very high	96.8	Very high	104 Å²	104	53.2 Å²	53.2	45%	0.452	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-10.5	169.6	-63.1	-179.4	-176.5	168.7	0	113.2	D99 L100 N102	K82-D99 HydrophobicContact CD-CB 4.15Å; K82-D99 PolarHBondContact N-O 3.22Å; K82-L100 WeakPolarHBondContact CE-O 3.04Å; K82-N102 PolarHBondContact NZ-OD1 2.71Å
83	C	96.1	Very high	96.5	Very high	23 Å²	23	52.8 Å²	52.8	16%	0.155	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	131.3	179.9	-72.2	0	0	0	0	110.6	Y52 H53 S81 V88 C98	Y52-C83 WeakPolarHBondContact CA-O 3.32Å; H53-C83 PolarHBondContact N-O 2.99Å; S81-C83 VanDerWaalsContact C-N 3.34Å; S81-C83 PolarHBondContact OG-N 3.3Å; C83-V88 HydrophobicContact CB-CB 4.41Å; C83-V88 HydrophobicContact CB-CG2 4.12Å; C83-C98 HydrophobicContact CB-CB 3.8Å; C83-C98 WeakPolarHBondContact CB-SG 3.44Å; C83-C98 VanDerWaalsContact SG-CA 3.5Å; C83-C98 WeakPolarHBondContact SG-CB 3.41Å; C83-C98 CovalentContact SG-SG 2.03Å; C83-C98 PolarHBondContact SG-SG 3.27Å
84	T	96.6	Very high	96.2	Very high	24 Å²	24	54.7 Å²	54.7	15%	0.147	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	155.7	173.9	84	0	0	0	0	110.9	L51 Y52 K86 D87 V88	L51-T84 WeakPolarHBondContact O-CA 3.33Å; Y52-T84 HydrophobicContact CD1-CG2 4.17Å; Y52-T84 HydrophobicContact CE1-CG2 3.92Å; T84-K86 PolarHBondContact O-N 3.33Å; T84-K86 PolarHBondContact OG1-N 3.01Å; T84-D87 PolarHBondContact O-N 3.22Å; T84-D87 PolarHBondContact OG1-N 2.86Å; T84-D87 PolarHBondContact OG1-OD2 2.79Å; T84-V88 PolarHBondContact O-N 2.66Å; T84-V88 VanDerWaalsContact O-N 3.12Å
85	K	95.7	Very high	95.9	Very high	57 Å²	57	60.1 Å²	60.1	25%	0.248	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.7	172.3	-63.6	-168.4	-179.8	156.9	0	114.1	N45 S48 D50 L51	N45-K85 WeakPolarHBondContact O-CE 3.49Å; N45-K85 PolarHBondContact O-NZ 3.45Å; N45-K85 VanDerWaalsContact O-NZ 3.14Å; S48-K85 VanDerWaalsContact C-NZ 3.27Å; S48-K85 PolarHBondContact O-NZ 3.43Å; S48-K85 PolarHBondContact OG-NZ 2.91Å; D50-K85 WeakPolarHBondContact O-CD 3.22Å; D50-K85 WeakPolarHBondContact O-CE 3.47Å; D50-K85 PolarHBondContact O-NZ 2.85Å; L51-K85 PolarHBondContact O-N 2.82Å
86	K	95.1	Very high	95.2	Very high	183 Å²	183	59 Å²	59	80%	0.796	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-33.4	174.4	-66	-178	178	178.3	0	111.8	T84	T84-K86 PolarHBondContact O-N 3.33Å; T84-K86 PolarHBondContact OG1-N 3.01Å
87	D	95	Very high	94.5	Very high	128 Å²	128	67.8 Å²	67.8	68%	0.684	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-33.1	-173.3	-53.9	-44.9	0	0	0	112.4	T84	T84-D87 PolarHBondContact O-N 3.22Å; T84-D87 PolarHBondContact OG1-N 2.86Å; T84-D87 PolarHBondContact OG1-OD2 2.79Å
88	V	96.1	Very high	94.1	Very high	20 Å²	20	68 Å²	68	12%	0.121	34%	0.337	C	S	.	.	S	Bend	trans	-128.8	134.2	-174.4	-179.8	0	0	0	0	109.2	H53 C83 T84 D92 V93 S96	H53-V88 PolarHBondContact CE1-O 2.84Å; H53-V88 PolarHBondContact NE2-O 3.14Å; C83-V88 HydrophobicContact CB-CB 4.41Å; C83-V88 HydrophobicContact CB-CG2 4.12Å; T84-V88 PolarHBondContact O-N 2.66Å; T84-V88 VanDerWaalsContact O-N 3.12Å; V88-D92 HydrophobicContact CG1-CB 4.01Å; V88-V93 HydrophobicContact CG1-CG2 3.98Å; V88-S96 WeakPolarHBondContact CG1-OG 3.25Å
89	K	96.1	Very high	93.9	Very high	144 Å²	144	73.2 Å²	73.2	63%	0.626	37%	0.365	S	S	*	.			trans	-76.4	151.3	172.1	-63.3	179.4	179.9	176.1	0	110.3	D91 D92 V93	K89-D91 PolarHBondContact O-N 3.14Å; K89-D91 VanDerWaalsContact O-N 3.14Å; K89-D92 HydrophobicContact CB-CB 4.48Å; K89-D92 WeakPolarHBondContact CB-OD2 3.46Å; K89-D92 PolarHBondContact O-N 3.02Å; K89-V93 PolarHBondContact O-N 3.41Å
90	P	94.9	Very high	93.8	Very high	31 Å²	31	75.1 Å²	75.1	20%	0.201	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-49.8	-41	179	-29.2	35.5	0	0	0	114.5	A42 N45 A46 D92 V93	A42-P90 HydrophobicContact CB-CB 4.39Å; A42-P90 WeakPolarHBondContact O-CB 3.35Å; N45-P90 HydrophobicContact CB-CB 3.98Å; N45-P90 HydrophobicContact CB-CG 4.41Å; A46-P90 HydrophobicContact CB-CB 4.32Å; A46-P90 HydrophobicContact CB-CG 4.13Å; P90-D92 VanDerWaalsContact C-N 3.28Å; P90-D92 PolarHBondContact O-N 3.27Å; P90-V93 WeakPolarHBondContact O-CG2 2.97Å
91	D	94.9	Very high	93.7	Very high	120 Å²	120	73.1 Å²	73.1	64%	0.642	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-70.3	-22.3	179.8	-57	-62.9	0	0	0	113.7	K89	K89-D91 PolarHBondContact O-N 3.14Å; K89-D91 VanDerWaalsContact O-N 3.14Å
92	D	95.2	Very high	93.5	Very high	68 Å²	68	79.9 Å²	79.9	36%	0.364	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-92.5	-7	-175	-66.9	-43.5	0	0	0	113.1	V88 K89 P90 K94 N95 S96	V88-D92 HydrophobicContact CG1-CB 4.01Å; K89-D92 HydrophobicContact CB-CB 4.48Å; K89-D92 WeakPolarHBondContact CB-OD2 3.46Å; K89-D92 PolarHBondContact O-N 3.02Å; P90-D92 VanDerWaalsContact C-N 3.28Å; P90-D92 PolarHBondContact O-N 3.27Å; D92-K94 VanDerWaalsContact C-N 3.27Å; D92-K94 PolarHBondContact O-N 3.45Å; D92-N95 PolarHBondContact O-N 3.12Å; D92-S96 WeakPolarHBondContact O-CB 3.28Å; D92-S96 PolarHBondContact O-N 2.03Å; D92-S96 PolarHBondContact O-OG 2.98Å
93	V	93.5	Very high	93.4	Very high	9 Å²	9	77.5 Å²	77.5	6%	0.055	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-39.5	-178	177.3	0	0	0	0	111.8	H53 V88 K89 P90 N95 S96 C98	H53-V93 HydrophobicContact CB-CG1 4.37Å; H53-V93 HydrophobicContact CB-CG2 3.84Å; H53-V93 VanDerWaalsContact CG-CG2 3.46Å; V88-V93 HydrophobicContact CG1-CG2 3.98Å; K89-V93 PolarHBondContact O-N 3.41Å; P90-V93 WeakPolarHBondContact O-CG2 2.97Å; V93-N95 VanDerWaalsContact C-N 3.28Å; V93-N95 PolarHBondContact O-N 2.85Å; V93-S96 PolarHBondContact O-N 2.98Å; V93-C98 HydrophobicContact CG1-CB 4.3Å
94	K	91.8	Very high	93.3	Very high	89 Å²	89	80.3 Å²	80.3	39%	0.387	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-40	176.2	177.5	-175.6	-179.4	-174.1	0	112.3	D35 H38 D92	D35-K94 IonicContact OD1-NZ 2.68Å; D35-K94 PolarHBondContact OD1-NZ 3.26Å; H38-K94 HydrophobicContact CB-CB 4.13Å; H38-K94 HydrophobicContact CB-CD 3.82Å; H38-K94 HydrophobicContact CB-CG 4.21Å; D92-K94 VanDerWaalsContact C-N 3.27Å; D92-K94 PolarHBondContact O-N 3.45Å
95	N	91.2	Very high	93.2	Very high	116 Å²	116	81.9 Å²	81.9	62%	0.62	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-25.3	-173.9	-61.1	-36.7	0	0	0	112.4	D92 V93 K97	D92-N95 PolarHBondContact O-N 3.12Å; V93-N95 VanDerWaalsContact C-N 3.28Å; V93-N95 PolarHBondContact O-N 2.85Å; N95-K97 PolarHBondContact O-N 2.76Å
96	S	85.5	Confident	93.3	Very high	54 Å²	54	79.3 Å²	79.3	38%	0.378	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.1	-176.7	-58.3	0	0	0	0	113.9	V88 D92 V93 C98	V88-S96 WeakPolarHBondContact CG1-OG 3.25Å; D92-S96 WeakPolarHBondContact O-CB 3.28Å; D92-S96 PolarHBondContact O-N 2.03Å; D92-S96 PolarHBondContact O-OG 2.98Å; V93-S96 PolarHBondContact O-N 2.98Å; S96-C98 PolarHBondContact O-N 2.82Å
97	K	82.4	Confident	93.5	Very high	185 Å²	185	73 Å²	73	80%	0.804	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	46	-178.2	-60	-178.6	-178.6	178.6	0	112.2	N95 D99	N95-K97 PolarHBondContact O-N 2.76Å; K97-D99 PolarHBondContact O-N 3.29Å; K97-D99 VanDerWaalsContact O-N 3.14Å
98	C	91.3	Very high	93.6	Very high	13 Å²	13	70.5 Å²	70.5	9%	0.088	37%	0.37	C	S	.	.			trans	-61.8	113.8	-179.9	-67.1	0	0	0	0	111.3	C83 V93 S96	C83-C98 HydrophobicContact CB-CB 3.8Å; C83-C98 WeakPolarHBondContact CB-SG 3.44Å; C83-C98 VanDerWaalsContact SG-CA 3.5Å; C83-C98 WeakPolarHBondContact SG-CB 3.41Å; C83-C98 CovalentContact SG-SG 2.03Å; C83-C98 PolarHBondContact SG-SG 3.27Å; V93-C98 HydrophobicContact CG1-CB 4.3Å; S96-C98 PolarHBondContact O-N 2.82Å
99	D	93.1	Very high	93.8	Very high	109 Å²	109	69.6 Å²	69.6	58%	0.583	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-63.4	146.5	174.6	-74.9	-30.1	0	0	0	111.2	S81 K82 K97	S81-D99 CarbonylContact C-O 3.57Å; S81-D99 WeakPolarHBondContact CA-O 3.27Å; S81-D99 WeakPolarHBondContact CB-O 3.12Å; K82-D99 HydrophobicContact CD-CB 4.15Å; K82-D99 PolarHBondContact N-O 3.22Å; K97-D99 PolarHBondContact O-N 3.29Å; K97-D99 VanDerWaalsContact O-N 3.14Å
100	L	94.7	Very high	93.9	Very high	42 Å²	42	65.4 Å²	65.4	22%	0.22	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-61.7	144.6	168.1	-70.3	165.5	0	0	0	110.4	T55 I57 K82	T55-L100 HydrophobicContact CG2-CD2 3.47Å; T55-L100 VanDerWaalsContact CG2-CD2 3.47Å; T55-L100 HydrophobicContact CG2-CG 4.13Å; I57-L100 HydrophobicContact CD1-CD1 4.38Å; I57-L100 HydrophobicContact CD1-CD2 4.26Å; I57-L100 HydrophobicContact CG1-CD1 3.93Å; I57-L100 HydrophobicContact CG1-CD2 3.84Å; K82-L100 WeakPolarHBondContact CE-O 3.04Å
101	S	94.8	Very high	94.1	Very high	15 Å²	15	64 Å²	64	11%	0.105	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-61.3	163.3	171.3	81.4	0	0	0	0	110.8	Q80 S103 K134	Q80-S101 WeakPolarHBondContact O-CB 3.3Å; Q80-S101 PolarHBondContact O-N 3.47Å; Q80-S101 PolarHBondContact O-OG 2.88Å; S101-S103 PolarHBondContact O-N 3.24Å; S101-S103 WeakPolarHBondContact OG-CB 3.17Å; S101-S103 PolarHBondContact OG-N 3.24Å; S101-K134 PolarHBondContact O-NZ 3.07Å
102	N	94	Very high	94.3	Very high	144 Å²	144	62.1 Å²	62.1	77%	0.77	33%	0.327	S	S	*	.	S	Bend	trans	-76.2	-3.1	177.6	-62.3	-18.9	0	0	0	112.2	K82	K82-N102 PolarHBondContact NZ-OD1 2.71Å
103	S	92.6	Very high	94.4	Very high	54 Å²	54	59 Å²	59	38%	0.378	31%	0.311	S	S	.	.			trans	-64.3	146.6	175.3	-175.9	0	0	0	0	110.8	S101 S105	S101-S103 PolarHBondContact O-N 3.24Å; S101-S103 WeakPolarHBondContact OG-CB 3.17Å; S101-S103 PolarHBondContact OG-N 3.24Å; S103-S105 PolarHBondContact OG-N 3.41Å; S103-S105 PolarHBondContact OG-OG 2.91Å
104	N	94.2	Very high	94.7	Very high	81 Å²	81	60.4 Å²	60.4	43%	0.433	32%	0.316	S	S	.	.	S	Bend	trans	-84.4	4.1	171.2	-167.1	41.2	0	0	0	112.5	T133 K134	N104-T133 CarbonylContact O-C 3.59Å; N104-T133 VanDerWaalsContact O-CA 3.32Å; N104-T133 WeakPolarHBondContact O-CA 3.18Å; N104-K134 PolarHBondContact O-N 3.2Å
105	S	95.7	Very high	95	Very high	57 Å²	57	57.2 Å²	57.2	40%	0.399	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	140	175.7	61.2	0	0	0	0	111.8	S103	S103-S105 PolarHBondContact OG-N 3.41Å; S103-S105 PolarHBondContact OG-OG 2.91Å
106	A	97.9	Very high	95.3	Very high	3 Å²	3	52.7 Å²	52.7	3%	0.025	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	173.3	166.3	0	0	0	0	0	108	I57 I78 T132 A137	I57-A106 HydrophobicContact CD1-CB 3.79Å; I78-A106 WeakPolarHBondContact O-CA 3.1Å; I78-A106 WeakPolarHBondContact O-CB 3.47Å; A106-T132 HydrophobicContact CB-CG2 3.8Å; A106-T132 PolarHBondContact N-O 2.84Å; A106-T132 CarbonylContact O-C 3.52Å; A106-T132 PolarHBondContact O-N 3.07Å; A106-A137 HydrophobicContact CB-CB 3.95Å
107	E	98.3	Very high	95.9	Very high	50 Å²	50	53.2 Å²	53.2	23%	0.234	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.9	172	-75.4	171.7	84.9	0	0	110	R44 Y77 I78 C129 E130	R44-E107 IonicContact CZ-OE1 3.86Å; R44-E107 IonicContact NH1-OE1 3.9Å; R44-E107 VanDerWaalsContact NH2-CD 3.26Å; R44-E107 IonicContact NH2-OE1 2.94Å; R44-E107 PolarHBondContact NH2-OE1 2.84Å; R44-E107 IonicContact NH2-OE2 2.86Å; R44-E107 PolarHBondContact NH2-OE2 2.04Å; Y77-E107 CarbonylContact C-O 3.56Å; Y77-E107 VanDerWaalsContact CA-O 3.25Å; Y77-E107 WeakPolarHBondContact CA-O 3.44Å; I78-E107 HydrophobicContact CD1-CB 4.35Å; I78-E107 HydrophobicContact CG1-CB 3.81Å; I78-E107 PolarHBondContact N-O 3.14Å; I78-E107 PolarHBondContact O-N 2.88Å; E107-C129 HydrophobicContact CB-CB 4.04Å; E107-C129 HydrophobicContact CG-CB 4.33Å; E107-C129 WeakPolarHBondContact OE1-CB 3.19Å; E107-E130 CarbonylContact C-O 3.55Å; E107-E130 WeakPolarHBondContact CA-O 3.16Å
108	K	98.5	Very high	96.6	Very high	77 Å²	77	52.1 Å²	52.1	34%	0.335	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.7	168.3	-173	179.6	-174.5	169.3	0	108	Y77 C129 E130 T132	Y77-K108 HydrophobicContact CD1-CB 3.92Å; Y77-K108 HydrophobicContact CD1-CG 4.3Å; Y77-K108 HydrophobicContact CE1-CB 3.59Å; Y77-K108 HydrophobicContact CE1-CD 4.11Å; Y77-K108 HydrophobicContact CE1-CG 3.83Å; K108-C129 WeakPolarHBondContact O-CA 3.48Å; K108-E130 PolarHBondContact N-O 2.95Å; K108-E130 PolarHBondContact O-N 2.97Å; K108-T132 HydrophobicContact CB-CG2 4.28Å
109	C	98.7	Very high	96.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.5	-171.1	-59.3	0	0	0	0	112.1	K75 M76 I78 V111 F127 S128 C129	K75-C109 VanDerWaalsContact CA-O 3.29Å; K75-C109 WeakPolarHBondContact CA-O 3.44Å; M76-C109 HydrophobicContact CG-CB 4.41Å; M76-C109 PolarHBondContact N-O 2.95Å; M76-C109 PolarHBondContact O-N 2.79Å; I78-C109 VanDerWaalsContact CD1-SG 3.59Å; C109-V111 HydrophobicContact CB-CG2 4.19Å; C109-F127 HydrophobicContact CB-CD1 4.32Å; C109-F127 HydrophobicContact CB-CE1 3.84Å; C109-S128 CarbonylContact C-O 3.44Å; C109-S128 WeakPolarHBondContact CA-O 3.34Å; C109-C129 HydrophobicContact CB-CB 4.16Å; C109-C129 WeakPolarHBondContact CB-SG 3.49Å; C109-C129 WeakPolarHBondContact SG-CB 3.38Å; C109-C129 CovalentContact SG-SG 2.04Å; C109-C129 PolarHBondContact SG-SG 2.81Å
110	T	98.7	Very high	97.1	Very high	57 Å²	57	56.8 Å²	56.8	35%	0.35	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.1	164.4	-61.2	0	0	0	0	108.2	M74 S128	M74-T110 WeakPolarHBondContact O-CA 2.96Å; T110-S128 PolarHBondContact N-O 3.37Å; T110-S128 PolarHBondContact O-N 2.84Å
111	V	98.8	Very high	97.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.9	-175.6	-171.6	0	0	0	0	109.6	A40 N73 M74 M76 C109 V113 V124 E126 F127	A40-V111 HydrophobicContact CB-CG1 3.88Å; N73-V111 WeakPolarHBondContact CA-O 3.41Å; M74-V111 HydrophobicContact CB-CB 4.49Å; M74-V111 HydrophobicContact CE-CB 4.25Å; M74-V111 HydrophobicContact CE-CG1 4.49Å; M74-V111 PolarHBondContact N-O 3.26Å; M74-V111 PolarHBondContact O-N 3.11Å; M76-V111 HydrophobicContact CE-CG2 3.6Å; M76-V111 HydrophobicContact CG-CG2 4.32Å; M76-V111 HydrophobicContact SD-CG2 4.17Å; C109-V111 HydrophobicContact CB-CG2 4.19Å; V111-V113 HydrophobicContact CG1-CG2 3.94Å; V111-V124 HydrophobicContact CG1-CG1 4.27Å; V111-E126 CarbonylContact C-O 3.59Å; V111-E126 VanDerWaalsContact CA-O 3.32Å; V111-E126 WeakPolarHBondContact CA-O 3.41Å; V111-F127 HydrophobicContact CG1-CD2 4.05Å; V111-F127 HydrophobicContact CG1-CE2 4.39Å; V111-F127 HydrophobicContact CG1-CG 4.46Å; V111-F127 HydrophobicContact CG2-CD1 4Å; V111-F127 HydrophobicContact CG2-CD2 4.1Å; V111-F127 HydrophobicContact CG2-CE1 3.97Å; V111-F127 HydrophobicContact CG2-CE2 4.07Å; V111-F127 HydrophobicContact CG2-CG 4.07Å; V111-F127 HydrophobicContact CG2-CZ 4.02Å
112	K	98.7	Very high	97.4	Very high	81 Å²	81	58.7 Å²	58.7	35%	0.352	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.6	173.9	-59.1	-173	-177.9	145.3	0	109.5	Y72 N73 N125 E126	Y72-K112 WeakPolarHBondContact O-CA 3.47Å; N73-K112 WeakPolarHBondContact OD1-CG 3.2Å; K112-N125 HydrophobicContact CB-CB 4.47Å; K112-N125 PolarHBondContact O-N 3.26Å; K112-E126 HydrophobicContact CB-CB 3.87Å; K112-E126 HydrophobicContact CD-CB 4.2Å; K112-E126 VanDerWaalsContact CD-OE2 3.32Å; K112-E126 WeakPolarHBondContact CD-OE2 3.32Å; K112-E126 VanDerWaalsContact CE-OE2 3.24Å; K112-E126 WeakPolarHBondContact CE-OE2 3.36Å; K112-E126 HydrophobicContact CG-CB 3.99Å; K112-E126 PolarHBondContact N-O 2.8Å; K112-E126 IonicContact NZ-OE2 2.91Å; K112-E126 PolarHBondContact NZ-OE2 3.01Å; K112-E126 PolarHBondContact O-N 2.99Å
113	V	98.8	Very high	97.6	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.8	-179.9	176.2	0	0	0	0	109.3	I36 A40 N71 Y72 V111 F122 K123 V124	I36-V113 HydrophobicContact CG2-CB 4.04Å; I36-V113 HydrophobicContact CG2-CG1 4.09Å; I36-V113 HydrophobicContact CG2-CG2 3.91Å; A40-V113 HydrophobicContact CB-CG2 4.09Å; N71-V113 CarbonylContact C-O 3.47Å; N71-V113 WeakPolarHBondContact CA-O 3.21Å; Y72-V113 HydrophobicContact CD2-CG1 4.49Å; Y72-V113 PolarHBondContact N-O 2.86Å; Y72-V113 PolarHBondContact O-N 2.76Å; V111-V113 HydrophobicContact CG1-CG2 3.94Å; V113-F122 HydrophobicContact CB-CZ 4.42Å; V113-F122 HydrophobicContact CG1-CD2 3.97Å; V113-F122 HydrophobicContact CG1-CE1 3.99Å; V113-F122 HydrophobicContact CG1-CE2 3.4Å; V113-F122 HydrophobicContact CG1-CZ 3.4Å; V113-F122 HydrophobicContact CG2-CZ 4.14Å; V113-K123 CarbonylContact C-O 3.54Å; V113-K123 VanDerWaalsContact CA-O 3.28Å; V113-K123 WeakPolarHBondContact CA-O 3.47Å; V113-V124 HydrophobicContact CG2-CG2 4.43Å
114	Y	98.7	Very high	97.9	Very high	40 Å²	40	55.9 Å²	55.9	16%	0.157	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.4	162.8	169.9	-100	0	0	0	109.1	V67 N68 I70 N71 Q116 T121 K123	V67-Y114 HydrophobicContact CG2-CD2 4.34Å; V67-Y114 HydrophobicContact CG2-CE2 4Å; N68-Y114 PolarHBondContact O-OH 2.89Å; I70-Y114 WeakPolarHBondContact O-CA 3.33Å; N71-Y114 WeakPolarHBondContact OD1-CD2 3.41Å; Y114-Q116 HydrophobicContact CE1-CB 3.99Å; Y114-Q116 PolarHBondContact OH-NE2 2.53Å; Y114-T121 HydrophobicContact CD1-CG2 4.23Å; Y114-T121 HydrophobicContact CE1-CG2 4.01Å; Y114-K123 HydrophobicContact CD1-CD 4.45Å; Y114-K123 PolarHBondContact N-O 3.39Å; Y114-K123 PolarHBondContact O-N 2.94Å
115	D	98.5	Very high	98.1	Very high	22 Å²	22	56.9 Å²	56.9	12%	0.118	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132	177.8	-173.5	22.1	0	0	0	110.3	G69 I70 Y72 T121 F122	G69-D115 CarbonylContact C-O 3.57Å; G69-D115 WeakPolarHBondContact CA-O 3.38Å; I70-D115 PolarHBondContact N-O 3.14Å; I70-D115 PolarHBondContact O-N 3.26Å; Y72-D115 HydrophobicContact CD2-CB 4.35Å; Y72-D115 HydrophobicContact CE2-CB 3.91Å; D115-T121 CarbonylContact C-O 3.47Å; D115-T121 WeakPolarHBondContact CA-O 3.5Å; D115-F122 HydrophobicContact CB-CD2 4.28Å
116	Q	98.1	Very high	98.2	Very high	21 Å²	21	57.5 Å²	57.5	10%	0.098	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	88.5	174.1	-168.6	-177.1	59.2	0	0	108.5	N68 Y114 W118 T119 N120 T121	N68-Q116 PolarHBondContact O-NE2 2.76Å; Y114-Q116 HydrophobicContact CE1-CB 3.99Å; Y114-Q116 PolarHBondContact OH-NE2 2.53Å; Q116-W118 VanDerWaalsContact C-N 3.32Å; Q116-W118 HydrophobicContact CG-CD2 3.63Å; Q116-W118 HydrophobicContact CG-CE3 3.99Å; Q116-W118 HydrophobicContact CG-CG 4.32Å; Q116-W118 HydrophobicContact CG-CH2 3.78Å; Q116-W118 HydrophobicContact CG-CZ2 3.37Å; Q116-W118 HydrophobicContact CG-CZ3 4.05Å; Q116-W118 PolarHBondContact O-N 2.82Å; Q116-T119 HydrophobicContact CG-CG2 4.32Å; Q116-T119 PolarHBondContact O-N 2.61Å; Q116-T119 VanDerWaalsContact O-N 3.13Å; Q116-T119 PolarHBondContact O-OG1 3.43Å; Q116-T119 PolarHBondContact OE1-OG1 3.37Å; Q116-N120 PolarHBondContact O-N 2.8Å; Q116-T121 PolarHBondContact N-O 2.84Å; Q116-T121 PolarHBondContact O-N 2.93Å
117	P	96.3	Very high	98.3	Very high	65 Å²	65	59.5 Å²	59.5	42%	0.422	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-59.1	-37.8	-170.5	-29.6	36.4	0	0	0	114.3	T119 N120	P117-T119 PolarHBondContact O-N 2.72Å; P117-N120 PolarHBondContact O-N 3.23Å; P117-N120 VanDerWaalsContact O-N 3.09Å
118	W	97.2	Very high	98.3	Very high	162 Å²	162	60.1 Å²	60.1	61%	0.614	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-71	-10	-177.4	62.6	91.8	0	0	0	114.4	G69 Q116	G69-W118 VanDerWaalsContact N-CH2 3.35Å; Q116-W118 VanDerWaalsContact C-N 3.32Å; Q116-W118 HydrophobicContact CG-CD2 3.63Å; Q116-W118 HydrophobicContact CG-CE3 3.99Å; Q116-W118 HydrophobicContact CG-CG 4.32Å; Q116-W118 HydrophobicContact CG-CH2 3.78Å; Q116-W118 HydrophobicContact CG-CZ2 3.37Å; Q116-W118 HydrophobicContact CG-CZ3 4.05Å; Q116-W118 PolarHBondContact O-N 2.82Å
119	T	98	Very high	98.2	Very high	64 Å²	64	58 Å²	58	39%	0.393	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-116.1	4.8	171.7	65.8	0	0	0	0	112.6	Q116 P117 T121	Q116-T119 HydrophobicContact CG-CG2 4.32Å; Q116-T119 PolarHBondContact O-N 2.61Å; Q116-T119 VanDerWaalsContact O-N 3.13Å; Q116-T119 PolarHBondContact O-OG1 3.43Å; Q116-T119 PolarHBondContact OE1-OG1 3.37Å; P117-T119 PolarHBondContact O-N 2.72Å; T119-T121 PolarHBondContact O-N 2.77Å; T119-T121 WeakPolarHBondContact OG1-CB 3.36Å; T119-T121 PolarHBondContact OG1-OG1 2.92Å
120	N	97	Very high	98.2	Very high	156 Å²	156	64.8 Å²	64.8	83%	0.834	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	31.7	-171.3	-59.5	-57.2	0	0	0	113.5	Q116 P117	Q116-N120 PolarHBondContact O-N 2.8Å; P117-N120 PolarHBondContact O-N 3.23Å; P117-N120 VanDerWaalsContact O-N 3.09Å
121	T	98.3	Very high	98.2	Very high	38 Å²	38	68.1 Å²	68.1	23%	0.233	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.1	178.8	-61.4	0	0	0	0	110	Y114 D115 Q116 T119 K123	Y114-T121 HydrophobicContact CD1-CG2 4.23Å; Y114-T121 HydrophobicContact CE1-CG2 4.01Å; D115-T121 CarbonylContact C-O 3.47Å; D115-T121 WeakPolarHBondContact CA-O 3.5Å; Q116-T121 PolarHBondContact N-O 2.84Å; Q116-T121 PolarHBondContact O-N 2.93Å; T119-T121 PolarHBondContact O-N 2.77Å; T119-T121 WeakPolarHBondContact OG1-CB 3.36Å; T119-T121 PolarHBondContact OG1-OG1 2.92Å; T121-K123 HydrophobicContact CG2-CD 4.1Å; T121-K123 HydrophobicContact CG2-CG 3.97Å
122	F	98.4	Very high	98.1	Very high	59 Å²	59	69 Å²	69	26%	0.259	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.7	170.4	-174.1	-86.2	0	0	0	109	I36 K39 V113 D115 V124	I36-F122 HydrophobicContact CD1-CE2 3.76Å; I36-F122 HydrophobicContact CG2-CE2 4.4Å; I36-F122 HydrophobicContact CG2-CZ 4.4Å; K39-F122 HydrophobicContact CB-CD1 4.38Å; K39-F122 HydrophobicContact CB-CE1 3.68Å; K39-F122 HydrophobicContact CB-CE2 3.87Å; K39-F122 HydrophobicContact CB-CZ 3.37Å; K39-F122 HydrophobicContact CD-CD2 4.1Å; K39-F122 HydrophobicContact CD-CE2 3.85Å; K39-F122 HydrophobicContact CD-CZ 4.24Å; K39-F122 HydrophobicContact CG-CZ 4.46Å; V113-F122 HydrophobicContact CB-CZ 4.42Å; V113-F122 HydrophobicContact CG1-CD2 3.97Å; V113-F122 HydrophobicContact CG1-CE1 3.99Å; V113-F122 HydrophobicContact CG1-CE2 3.4Å; V113-F122 HydrophobicContact CG1-CZ 3.4Å; V113-F122 HydrophobicContact CG2-CZ 4.14Å; D115-F122 HydrophobicContact CB-CD2 4.28Å; F122-V124 HydrophobicContact CE1-CG2 3.87Å
123	K	98.6	Very high	98	Very high	116 Å²	116	67.8 Å²	67.8	50%	0.504	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.8	-177.4	-64.9	-178.9	-179.5	176.8	0	110.3	V113 Y114 T121 N125	V113-K123 CarbonylContact C-O 3.54Å; V113-K123 VanDerWaalsContact CA-O 3.28Å; V113-K123 WeakPolarHBondContact CA-O 3.47Å; Y114-K123 HydrophobicContact CD1-CD 4.45Å; Y114-K123 PolarHBondContact N-O 3.39Å; Y114-K123 PolarHBondContact O-N 2.94Å; T121-K123 HydrophobicContact CG2-CD 4.1Å; T121-K123 HydrophobicContact CG2-CG 3.97Å; K123-N125 WeakPolarHBondContact CB-OD1 3.36Å; K123-N125 PolarHBondContact O-N 2.91Å
124	V	98.6	Very high	97.8	Very high	23 Å²	23	69.9 Å²	69.9	14%	0.139	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	102.3	165	-176.2	0	0	0	0	107.3	A40 D43 V111 V113 F122 F127	A40-V124 HydrophobicContact CB-CG2 3.98Å; D43-V124 HydrophobicContact CB-CG2 3.76Å; D43-V124 WeakPolarHBondContact OD2-CB 3.38Å; V111-V124 HydrophobicContact CG1-CG1 4.27Å; V113-V124 HydrophobicContact CG2-CG2 4.43Å; F122-V124 HydrophobicContact CE1-CG2 3.87Å; V124-F127 HydrophobicContact CG1-CB 3.98Å; V124-F127 HydrophobicContact CG1-CD2 4Å; V124-F127 HydrophobicContact CG1-CG 4.5Å
125	N	98.4	Very high	97.7	Very high	102 Å²	102	73.7 Å²	73.7	55%	0.545	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-31.6	-177.6	-64.9	-6.7	0	0	0	111.5	K112 K123	K112-N125 HydrophobicContact CB-CB 4.47Å; K112-N125 PolarHBondContact O-N 3.26Å; K123-N125 WeakPolarHBondContact CB-OD1 3.36Å; K123-N125 PolarHBondContact O-N 2.91Å
126	E	98.3	Very high	97.5	Very high	70 Å²	70	77 Å²	77	33%	0.327	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	137.4	178.3	-168.1	179.6	147.2	0	0	109.5	V111 K112	V111-E126 CarbonylContact C-O 3.59Å; V111-E126 VanDerWaalsContact CA-O 3.32Å; V111-E126 WeakPolarHBondContact CA-O 3.41Å; K112-E126 HydrophobicContact CB-CB 3.87Å; K112-E126 HydrophobicContact CD-CB 4.2Å; K112-E126 VanDerWaalsContact CD-OE2 3.32Å; K112-E126 WeakPolarHBondContact CD-OE2 3.32Å; K112-E126 VanDerWaalsContact CE-OE2 3.24Å; K112-E126 WeakPolarHBondContact CE-OE2 3.36Å; K112-E126 HydrophobicContact CG-CB 3.99Å; K112-E126 PolarHBondContact N-O 2.8Å; K112-E126 IonicContact NZ-OE2 2.91Å; K112-E126 PolarHBondContact NZ-OE2 3.01Å; K112-E126 PolarHBondContact O-N 2.99Å
127	F	98.4	Very high	97.4	Very high	44 Å²	44	76 Å²	76	19%	0.193	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	80	171.3	-156.1	-47	0	0	0	107.8	A40 L41 R44 M76 I78 C109 V111 V124 C129	A40-F127 HydrophobicContact CB-CE2 4.22Å; A40-F127 WeakPolarHBondContact O-CE2 3.39Å; L41-F127 HydrophobicContact CD2-CZ 4.1Å; R44-F127 HydrophobicContact CB-CD2 3.94Å; R44-F127 HydrophobicContact CB-CE2 3.71Å; R44-F127 HydrophobicContact CB-CZ 4.17Å; R44-F127 VanDerWaalsContact CD-CE1 3.41Å; R44-F127 HydrophobicContact CG-CE2 4.38Å; R44-F127 HydrophobicContact CG-CZ 4.38Å; M76-F127 HydrophobicContact CE-CE1 4.08Å; M76-F127 HydrophobicContact CE-CE2 3.79Å; M76-F127 HydrophobicContact CE-CZ 3.28Å; I78-F127 HydrophobicContact CD1-CE1 4.13Å; I78-F127 HydrophobicContact CD1-CZ 4.36Å; C109-F127 HydrophobicContact CB-CD1 4.32Å; C109-F127 HydrophobicContact CB-CE1 3.84Å; V111-F127 HydrophobicContact CG1-CD2 4.05Å; V111-F127 HydrophobicContact CG1-CE2 4.39Å; V111-F127 HydrophobicContact CG1-CG 4.46Å; V111-F127 HydrophobicContact CG2-CD1 4Å; V111-F127 HydrophobicContact CG2-CD2 4.1Å; V111-F127 HydrophobicContact CG2-CE1 3.97Å; V111-F127 HydrophobicContact CG2-CE2 4.07Å; V111-F127 HydrophobicContact CG2-CG 4.07Å; V111-F127 HydrophobicContact CG2-CZ 4.02Å; V124-F127 HydrophobicContact CG1-CB 3.98Å; V124-F127 HydrophobicContact CG1-CD2 4Å; V124-F127 HydrophobicContact CG1-CG 4.5Å; F127-C129 VanDerWaalsContact CE1-SG 3.55Å
128	S	98.3	Very high	97.3	Very high	64 Å²	64	78.1 Å²	78.1	45%	0.448	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140	-179.4	-174.7	0	0	0	0	110.1	C109 T110	C109-S128 CarbonylContact C-O 3.44Å; C109-S128 WeakPolarHBondContact CA-O 3.34Å; T110-S128 PolarHBondContact N-O 3.37Å; T110-S128 PolarHBondContact O-N 2.84Å
129	C	98.3	Very high	97.1	Very high	33 Å²	33	78.7 Å²	78.7	22%	0.223	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	148.2	-175.1	-61.4	0	0	0	0	112.7	R44 E107 K108 C109 F127	R44-C129 PolarHBondContact NH1-SG 3.42Å; E107-C129 HydrophobicContact CB-CB 4.04Å; E107-C129 HydrophobicContact CG-CB 4.33Å; E107-C129 WeakPolarHBondContact OE1-CB 3.19Å; K108-C129 WeakPolarHBondContact O-CA 3.48Å; C109-C129 HydrophobicContact CB-CB 4.16Å; C109-C129 WeakPolarHBondContact CB-SG 3.49Å; C109-C129 WeakPolarHBondContact SG-CB 3.38Å; C109-C129 CovalentContact SG-SG 2.04Å; C109-C129 PolarHBondContact SG-SG 2.81Å; F127-C129 VanDerWaalsContact CE1-SG 3.55Å
130	E	97.9	Very high	96.6	Very high	142 Å²	142	78.2 Å²	78.2	66%	0.664	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	135	172.8	-65.5	174	-175.4	0	0	109	E107 K108 T132	E107-E130 CarbonylContact C-O 3.55Å; E107-E130 WeakPolarHBondContact CA-O 3.16Å; K108-E130 PolarHBondContact N-O 2.95Å; K108-E130 PolarHBondContact O-N 2.97Å; E130-T132 PolarHBondContact O-N 3.02Å
131	T	97.7	Very high	96.6	Very high	127 Å²	127	74.4 Å²	74.4	78%	0.779	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	133.4	176.8	-52.1	0	0	0	0	110.5
132	T	97.3	Very high	96.5	Very high	17 Å²	17	76.3 Å²	76.3	10%	0.104	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	-172.9	174.5	-176.9	0	0	0	0	109.6	Y77 A106 K108 E130 E136	Y77-T132 HydrophobicContact CD1-CG2 3.62Å; Y77-T132 HydrophobicContact CE1-CG2 3.56Å; A106-T132 HydrophobicContact CB-CG2 3.8Å; A106-T132 PolarHBondContact N-O 2.84Å; A106-T132 CarbonylContact O-C 3.52Å; A106-T132 PolarHBondContact O-N 3.07Å; K108-T132 HydrophobicContact CB-CG2 4.28Å; E130-T132 PolarHBondContact O-N 3.02Å; T132-E136 PolarHBondContact OG1-OE1 2.84Å; T132-E136 PolarHBondContact OG1-OE2 3.43Å
133	T	96.8	Very high	96.4	Very high	56 Å²	56	77.2 Å²	77.2	34%	0.344	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	148.2	176.4	68	0	0	0	0	111.1	N104 Q135 E136 A137	N104-T133 CarbonylContact O-C 3.59Å; N104-T133 VanDerWaalsContact O-CA 3.32Å; N104-T133 WeakPolarHBondContact O-CA 3.18Å; T133-Q135 PolarHBondContact O-N 3.48Å; T133-E136 PolarHBondContact O-N 2.99Å; T133-E136 VanDerWaalsContact O-N 3.12Å; T133-E136 WeakPolarHBondContact OG1-CB 3.43Å; T133-E136 PolarHBondContact OG1-N 2.96Å; T133-E136 VanDerWaalsContact OG1-N 3.12Å; T133-A137 PolarHBondContact O-N 3.03Å
134	K	95.4	Very high	96.2	Very high	46 Å²	46	74.9 Å²	74.9	20%	0.2	40%	0.396	C	S	.	.	H	α-helix	trans	-56.9	-34.2	172.3	-174.1	174.9	-178.1	175.4	0	111.5	S101 N104 A137 L138	S101-K134 PolarHBondContact O-NZ 3.07Å; N104-K134 PolarHBondContact O-N 3.2Å; K134-A137 PolarHBondContact O-N 3.12Å; K134-L138 HydrophobicContact CG-CD1 3.96Å; K134-L138 HydrophobicContact CG-CG 4.44Å; K134-L138 WeakPolarHBondContact O-CB 3.38Å; K134-L138 WeakPolarHBondContact O-CD1 3.43Å; K134-L138 WeakPolarHBondContact O-CG 3.32Å; K134-L138 PolarHBondContact O-N 3.12Å
135	Q	95.1	Very high	96.1	Very high	120 Å²	120	78.2 Å²	78.2	56%	0.561	41%	0.412	S	S	*	.	H	α-helix	trans	-65.4	-41.3	176.3	-68.7	-177.1	-24.7	0	0	113.1	T133 K139	T133-Q135 PolarHBondContact O-N 3.48Å; Q135-K139 WeakPolarHBondContact O-CD 3.29Å; Q135-K139 VanDerWaalsContact O-CG 3.29Å; Q135-K139 WeakPolarHBondContact O-CG 3.49Å; Q135-K139 PolarHBondContact O-N 2.74Å
136	E	95.4	Very high	95.9	Very high	91 Å²	91	76.6 Å²	76.6	43%	0.425	40%	0.403	S	S	.	.	H	α-helix	trans	-66.1	-48.3	174.1	-172.8	-167.5	135.9	0	0	110.4	Y77 T132 T133 L138 K139 A140	Y77-E136 PolarHBondContact OH-OE1 3.31Å; T132-E136 PolarHBondContact OG1-OE1 2.84Å; T132-E136 PolarHBondContact OG1-OE2 3.43Å; T133-E136 PolarHBondContact O-N 2.99Å; T133-E136 VanDerWaalsContact O-N 3.12Å; T133-E136 WeakPolarHBondContact OG1-CB 3.43Å; T133-E136 PolarHBondContact OG1-N 2.96Å; T133-E136 VanDerWaalsContact OG1-N 3.12Å; E136-L138 PolarHBondContact O-N 3.23Å; E136-K139 PolarHBondContact O-N 2.84Å; E136-A140 PolarHBondContact O-N 3.34Å
137	A	95.8	Very high	95.7	Very high	0 Å²	0	77.1 Å²	77.1	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-56.7	-35.5	-179.3	0	0	0	0	0	113.9	I57 Y77 A106 T133 K134	I57-A137 HydrophobicContact CD1-CB 3.91Å; I57-A137 HydrophobicContact CG2-CB 4.01Å; Y77-A137 HydrophobicContact CD1-CB 3.47Å; Y77-A137 VanDerWaalsContact CD1-CB 3.47Å; Y77-A137 HydrophobicContact CD2-CB 4.33Å; Y77-A137 HydrophobicContact CE1-CB 4.14Å; Y77-A137 HydrophobicContact CG-CB 3.57Å; A106-A137 HydrophobicContact CB-CB 3.95Å; T133-A137 PolarHBondContact O-N 3.03Å; K134-A137 PolarHBondContact O-N 3.12Å
138	L	93.4	Very high	95.5	Very high	110 Å²	110	79.6 Å²	79.6	58%	0.576	43%	0.425	S	S	*	.	H	α-helix	trans	-80.2	-19.4	178.8	-70.4	170.5	0	0	0	113.8	I57 K134 E136	I57-L138 HydrophobicContact CG2-CD2 3.79Å; I57-L138 HydrophobicContact CG2-CG 4.3Å; K134-L138 HydrophobicContact CG-CD1 3.96Å; K134-L138 HydrophobicContact CG-CG 4.44Å; K134-L138 WeakPolarHBondContact O-CB 3.38Å; K134-L138 WeakPolarHBondContact O-CD1 3.43Å; K134-L138 WeakPolarHBondContact O-CG 3.32Å; K134-L138 PolarHBondContact O-N 3.12Å; E136-L138 PolarHBondContact O-N 3.23Å
139	K	93.2	Very high	95.3	Very high	175 Å²	175	80.9 Å²	80.9	76%	0.761	42%	0.424	S	S	*	.	H	α-helix	trans	-102.1	-19.1	-177.1	-72.1	176.9	-177.8	179.6	0	113.7	Q135 E136	Q135-K139 WeakPolarHBondContact O-CD 3.29Å; Q135-K139 VanDerWaalsContact O-CG 3.29Å; Q135-K139 WeakPolarHBondContact O-CG 3.49Å; Q135-K139 PolarHBondContact O-N 2.74Å; E136-K139 PolarHBondContact O-N 2.84Å
140	A	87.7	Confident	95.1	Very high	54 Å²	54	85.3 Å²	85.3	45%	0.446	44%	0.442	S	S	.	.			trans	-60.3	0	168.9	0	0	0	0	0	111	K58 Y77 E136	K58-A140 WeakPolarHBondContact CD-O 3.37Å; K58-A140 WeakPolarHBondContact CE-O 3.38Å; K58-A140 PolarHBondContact NZ-O 3.19Å; K58-A140 PolarHBondContact NZ-OXT 3.45Å; Y77-A140 HydrophobicContact CD2-CB 4.14Å; Y77-A140 HydrophobicContact CE2-CB 3.36Å; E136-A140 PolarHBondContact O-N 3.34Å

Retrieved 140 of 140 residues in 61.9 ms (Link to these results)

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