A0A077ZK49_TRITR Loading...

Cystatin domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZK49, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 127 aa.

						>A0A077ZK49_TRITR|A0A077ZK49
MVAALKLAATLLCLAFASAVEEALVKKFAQAAVNGINKDEDSGDKLFIVYKYSNVKENDKAVTFDLIAVQSACPKGAEYDEKKCKPTGRSPVLEHKVVASKKPGGVYSVASTGPMDPDSHETLSKLK
					

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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	47.3	Very low	47.2	Very low	244 Å²	244	137.9 Å²	137.9	100%	1.202	82%	0.815	S	S	*	*				0	114.7	0	-71.5	-176.8	-100.8	0	0	107.5
2	V	35.2	Very low	47.2	Very low	142 Å²	142	137.4 Å²	137.4	86%	0.861	80%	0.804	S	S	*	*			trans	-88.5	110.2	-174.5	177.8	0	0	0	0	108	A4	V2-A4 HydrophobicContact CG1-CB 4.13Å
3	A	46.1	Very low	47.3	Very low	100 Å²	100	135.5 Å²	135.5	83%	0.826	80%	0.801	S	S	*	*			trans	-109.8	71.5	166.5	0	0	0	0	0	108.1	L5	A3-L5 VanDerWaalsContact C-N 3.27Å; A3-L5 PolarHBondContact O-N 2.92Å
4	A	49.2	Very low	47.3	Very low	81 Å²	81	135.6 Å²	135.6	67%	0.669	80%	0.795	S	S	*	*			trans	-74.1	88.6	167.1	0	0	0	0	0	107.4	V2 K6	V2-A4 HydrophobicContact CG1-CB 4.13Å; A4-K6 VanDerWaalsContact C-N 3.35Å; A4-K6 PolarHBondContact O-N 3.02Å
5	L	44.9	Very low	47.6	Very low	158 Å²	158	132.3 Å²	132.3	83%	0.827	79%	0.789	S	S	*	*			trans	-64.2	97.8	173.1	-156.7	79.2	0	0	0	107.3	A3 L7	A3-L5 VanDerWaalsContact C-N 3.27Å; A3-L5 PolarHBondContact O-N 2.92Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.81Å
6	K	48.3	Very low	47.3	Very low	196 Å²	196	136.3 Å²	136.3	85%	0.852	79%	0.794	S	S	*	*			trans	-61.9	99.2	168.4	-75.2	-175.6	177.9	179.5	0	106.7	A4 A8	A4-K6 VanDerWaalsContact C-N 3.35Å; A4-K6 PolarHBondContact O-N 3.02Å; K6-A8 PolarHBondContact O-N 2.9Å
7	L	46.5	Very low	47.4	Very low	163 Å²	163	133.5 Å²	133.5	85%	0.853	79%	0.791	S	S	*	*			trans	-56.8	92.5	161.5	-90.8	148.2	0	0	0	106.4	L5 A9	L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 2.81Å; L7-A9 VanDerWaalsContact C-N 3.27Å; L7-A9 PolarHBondContact O-N 2.78Å
8	A	53.1	Low	47.8	Very low	82 Å²	82	130.4 Å²	130.4	68%	0.678	78%	0.777	S	S	*	*			trans	-59.4	100.5	165.8	0	0	0	0	0	105.4	K6 T10	K6-A8 PolarHBondContact O-N 2.9Å; A8-T10 PolarHBondContact O-N 2.88Å
9	A	47.8	Very low	49	Very low	82 Å²	82	127.9 Å²	127.9	68%	0.678	77%	0.772	S	S	*	*			trans	-59.2	89.9	161.7	0	0	0	0	0	105.8	L7 L11	L7-A9 VanDerWaalsContact C-N 3.27Å; L7-A9 PolarHBondContact O-N 2.78Å; A9-L11 PolarHBondContact O-N 2.8Å
10	T	53.9	Low	50.7	Low	118 Å²	118	122.8 Å²	122.8	72%	0.724	74%	0.741	S	S	*	*			trans	-62	86.9	160.4	37.5	0	0	0	0	105.6	A8 L12	A8-T10 PolarHBondContact O-N 2.88Å; T10-L12 PolarHBondContact O-N 2.78Å
11	L	46.7	Very low	52.5	Low	151 Å²	151	123.8 Å²	123.8	79%	0.791	74%	0.738	S	S	*	*			trans	-59	80.3	154.7	-88.4	118.2	0	0	0	106.3	A9 C13	A9-L11 PolarHBondContact O-N 2.8Å; L11-C13 PolarHBondContact O-N 2.78Å
12	L	47.4	Very low	54.6	Low	132 Å²	132	119.3 Å²	119.3	69%	0.691	71%	0.714	S	S	*	*			trans	-63.9	89.4	151	-102.2	84.7	0	0	0	104.7	T10 L14	T10-L12 PolarHBondContact O-N 2.78Å; L12-L14 PolarHBondContact O-N 2.89Å
13	C	48.9	Very low	57.4	Low	112 Å²	112	115.3 Å²	115.3	76%	0.757	70%	0.696	S	S	*	*			trans	-58.1	88.4	150.3	-86.6	0	0	0	0	105.9	L11 A15	L11-C13 PolarHBondContact O-N 2.78Å; C13-A15 PolarHBondContact O-N 2.94Å
14	L	47.6	Very low	59.7	Low	137 Å²	137	112.8 Å²	112.8	72%	0.717	67%	0.668	S	S	*	*			trans	-59.5	85.5	153.1	-75.7	161.2	0	0	0	104.5	L12 F16	L12-L14 PolarHBondContact O-N 2.89Å; L14-F16 PolarHBondContact O-N 2.79Å
15	A	50.6	Low	61.9	Low	86 Å²	86	109 Å²	109	71%	0.711	64%	0.637	S	S	*	*			trans	-52.7	112.3	162.4	0	0	0	0	0	104.6	C13 A17	C13-A15 PolarHBondContact O-N 2.94Å; A15-A17 PolarHBondContact O-N 2.87Å
16	F	43.4	Very low	64.4	Low	196 Å²	196	107 Å²	107	86%	0.86	62%	0.622	S	S	*	*			trans	-62.5	82.6	168.4	-80.2	-93	0	0	0	106.4	L14 S18	L14-F16 PolarHBondContact O-N 2.79Å; F16-S18 PolarHBondContact O-N 2.71Å
17	A	49.6	Very low	66.7	Low	90 Å²	90	104.1 Å²	104.1	74%	0.744	61%	0.609	S	S	*	*			trans	-72.7	71.3	162.2	0	0	0	0	0	106.3	A15 A19	A15-A17 PolarHBondContact O-N 2.87Å; A17-A19 PolarHBondContact O-N 3.18Å
18	S	54.3	Low	69.2	Low	78 Å²	78	96.9 Å²	96.9	55%	0.545	57%	0.571	S	S	.	*			trans	-76.2	67.4	158.4	64	0	0	0	0	107	F16 E57	F16-S18 PolarHBondContact O-N 2.71Å; S18-E57 VanDerWaalsContact O-OE2 3.12Å
19	A	70.3	Confident	71.3	Confident	82 Å²	82	93 Å²	93	68%	0.678	54%	0.538	S	S	*	.			trans	-91.1	98.4	153.1	0	0	0	0	0	104.1	A17 E21	A17-A19 PolarHBondContact O-N 3.18Å; A19-E21 PolarHBondContact O-N 2.95Å
20	V	82.6	Confident	73.7	Confident	26 Å²	26	93.4 Å²	93.4	16%	0.158	53%	0.526	C	S	.	.			trans	-39.6	126.2	170.6	57.5	0	0	0	0	109.6	E22 L24 V25 V55 E57 V62	V20-E22 PolarHBondContact O-N 2.71Å; V20-L24 HydrophobicContact CG2-CB 4.16Å; V20-L24 HydrophobicContact CG2-CD2 4.04Å; V20-L24 HydrophobicContact CG2-CG 4.25Å; V20-V25 HydrophobicContact CB-CG2 4.22Å; V20-V25 HydrophobicContact CG1-CG2 3.55Å; V20-V25 HydrophobicContact CG2-CG2 3.64Å; V20-V55 HydrophobicContact CG1-CG1 3.69Å; V20-E57 WeakPolarHBondContact CA-OE2 3.39Å; V20-E57 VanDerWaalsContact CB-OE2 3.32Å; V20-E57 WeakPolarHBondContact CB-OE2 3.32Å; V20-E57 PolarHBondContact N-OE2 3.37Å; V20-V62 HydrophobicContact CB-CG2 4.1Å; V20-V62 HydrophobicContact CG1-CG1 4.03Å; V20-V62 HydrophobicContact CG1-CG2 4.43Å; V20-V62 HydrophobicContact CG2-CG1 4.3Å; V20-V62 HydrophobicContact CG2-CG2 3.88Å
21	E	89.5	Confident	75.8	Confident	144 Å²	144	89.8 Å²	89.8	67%	0.673	51%	0.508	S	S	*	.			trans	-58.5	135.8	-179.9	-70.4	-177.7	169.5	0	0	110.2	A19 A23 L24 V25	A19-E21 PolarHBondContact O-N 2.95Å; E21-A23 PolarHBondContact O-N 2.95Å; E21-A23 VanDerWaalsContact O-N 3.15Å; E21-L24 HydrophobicContact CB-CB 4.26Å; E21-L24 WeakPolarHBondContact O-CA 3.35Å; E21-L24 WeakPolarHBondContact O-CB 3.42Å; E21-L24 PolarHBondContact O-N 3.34Å; E21-V25 PolarHBondContact O-N 2.88Å; E21-V25 VanDerWaalsContact O-N 3.07Å
22	E	91.1	Very high	78.3	Confident	150 Å²	150	82.8 Å²	82.8	70%	0.701	47%	0.472	S	S	*	.	H	α-helix	trans	-54	-37.9	177.3	-172.2	-175.2	158.7	0	0	111.5	V20 L24 V25 K26 Y52	V20-E22 PolarHBondContact O-N 2.71Å; E22-L24 VanDerWaalsContact C-N 3.27Å; E22-L24 PolarHBondContact O-N 2.85Å; E22-V25 PolarHBondContact O-N 3.09Å; E22-K26 WeakPolarHBondContact O-CB 3.4Å; E22-K26 PolarHBondContact O-N 3.26Å; E22-Y52 WeakPolarHBondContact CG-OH 3.41Å
23	A	93	Very high	80.7	Confident	58 Å²	58	76.8 Å²	76.8	48%	0.479	44%	0.441	S	S	.	.	H	α-helix	trans	-61.3	-34.6	175.6	0	0	0	0	0	112.9	E21 K27	E21-A23 PolarHBondContact O-N 2.95Å; E21-A23 VanDerWaalsContact O-N 3.15Å; A23-K27 WeakPolarHBondContact O-CG 3.44Å; A23-K27 PolarHBondContact O-N 3.37Å
24	L	94.6	Very high	82.9	Confident	46 Å²	46	75.9 Å²	75.9	24%	0.241	43%	0.429	C	S	.	.	H	α-helix	trans	-74	-42.6	177.2	-174.1	58.4	0	0	0	110.9	V20 E21 E22 K26 K27 F28 Y107	V20-L24 HydrophobicContact CG2-CB 4.16Å; V20-L24 HydrophobicContact CG2-CD2 4.04Å; V20-L24 HydrophobicContact CG2-CG 4.25Å; E21-L24 HydrophobicContact CB-CB 4.26Å; E21-L24 WeakPolarHBondContact O-CA 3.35Å; E21-L24 WeakPolarHBondContact O-CB 3.42Å; E21-L24 PolarHBondContact O-N 3.34Å; E22-L24 VanDerWaalsContact C-N 3.27Å; E22-L24 PolarHBondContact O-N 2.85Å; L24-K26 VanDerWaalsContact C-N 3.31Å; L24-K26 PolarHBondContact O-N 3.46Å; L24-K27 WeakPolarHBondContact O-CB 3.25Å; L24-K27 PolarHBondContact O-N 3.18Å; L24-F28 HydrophobicContact CD1-CE1 3.77Å; L24-F28 HydrophobicContact CD1-CE2 4.26Å; L24-F28 HydrophobicContact CD1-CZ 3.55Å; L24-F28 HydrophobicContact CD2-CE2 4.25Å; L24-F28 HydrophobicContact CD2-CZ 3.96Å; L24-F28 HydrophobicContact CG-CE1 4.16Å; L24-F28 HydrophobicContact CG-CE2 3.71Å; L24-F28 HydrophobicContact CG-CZ 3.47Å; L24-F28 VanDerWaalsContact CG-CZ 3.47Å; L24-F28 WeakPolarHBondContact O-CG 3.45Å; L24-F28 PolarHBondContact O-N 3.29Å; L24-F28 VanDerWaalsContact O-N 3.1Å; L24-Y107 HydrophobicContact CD2-CE2 4.11Å
25	V	96.7	Very high	85.3	Confident	3 Å²	3	71.1 Å²	71.1	2%	0.018	41%	0.412	C	S	.	.	H	α-helix	trans	-60.2	-42.5	173.4	-174.4	0	0	0	0	111	V20 E21 E22 K27 F28 A29 Y52 V55 V62 F64	V20-V25 HydrophobicContact CB-CG2 4.22Å; V20-V25 HydrophobicContact CG1-CG2 3.55Å; V20-V25 HydrophobicContact CG2-CG2 3.64Å; E21-V25 PolarHBondContact O-N 2.88Å; E21-V25 VanDerWaalsContact O-N 3.07Å; E22-V25 PolarHBondContact O-N 3.09Å; V25-K27 VanDerWaalsContact C-N 3.31Å; V25-K27 PolarHBondContact O-N 2.8Å; V25-F28 WeakPolarHBondContact O-CB 3.34Å; V25-F28 PolarHBondContact O-N 3.15Å; V25-A29 PolarHBondContact O-N 3.07Å; V25-Y52 HydrophobicContact CB-CE2 4.19Å; V25-Y52 HydrophobicContact CG1-CD2 3.7Å; V25-Y52 HydrophobicContact CG1-CE2 3.6Å; V25-Y52 HydrophobicContact CG1-CG 4.34Å; V25-V55 HydrophobicContact CG1-CG2 4.07Å; V25-V55 HydrophobicContact CG2-CG1 4.03Å; V25-V62 HydrophobicContact CG2-CG1 4.48Å; V25-F64 HydrophobicContact CG1-CD1 4.04Å; V25-F64 HydrophobicContact CG1-CE1 4.09Å; V25-F64 HydrophobicContact CG1-CG 4.27Å; V25-F64 HydrophobicContact CG1-CZ 4.33Å
26	K	97	Very high	87.5	Confident	116 Å²	116	67 Å²	67	50%	0.504	38%	0.378	S	S	.	.	H	α-helix	trans	-57.9	-41.1	175.5	-174.9	175.5	-178.5	175.3	0	112.3	E22 L24 F28 A29 Q30	E22-K26 WeakPolarHBondContact O-CB 3.4Å; E22-K26 PolarHBondContact O-N 3.26Å; L24-K26 VanDerWaalsContact C-N 3.31Å; L24-K26 PolarHBondContact O-N 3.46Å; K26-F28 VanDerWaalsContact C-N 3.35Å; K26-A29 PolarHBondContact O-N 3.43Å; K26-Q30 WeakPolarHBondContact O-CG 3.45Å; K26-Q30 PolarHBondContact O-N 2.87Å
27	K	97.1	Very high	90	Very high	135 Å²	135	58.9 Å²	58.9	59%	0.587	34%	0.344	S	S	*	.	H	α-helix	trans	-63.5	-39.8	174.4	-73	173.9	-179.3	176.6	0	111.8	A23 L24 V25 Q30 A31	A23-K27 WeakPolarHBondContact O-CG 3.44Å; A23-K27 PolarHBondContact O-N 3.37Å; L24-K27 WeakPolarHBondContact O-CB 3.25Å; L24-K27 PolarHBondContact O-N 3.18Å; V25-K27 VanDerWaalsContact C-N 3.31Å; V25-K27 PolarHBondContact O-N 2.8Å; K27-Q30 PolarHBondContact O-N 3.36Å; K27-A31 WeakPolarHBondContact O-CB 3.48Å; K27-A31 PolarHBondContact O-N 3.43Å
28	F	97.9	Very high	92.2	Very high	11 Å²	11	63.1 Å²	63.1	5%	0.048	35%	0.345	C	S	.	.	H	α-helix	trans	-66.4	-40.9	175.5	-57.3	-28.9	0	0	0	112.1	L24 V25 K26 Q30 A31 A32 V62 F64 A99 Y107 V109	L24-F28 HydrophobicContact CD1-CE1 3.77Å; L24-F28 HydrophobicContact CD1-CE2 4.26Å; L24-F28 HydrophobicContact CD1-CZ 3.55Å; L24-F28 HydrophobicContact CD2-CE2 4.25Å; L24-F28 HydrophobicContact CD2-CZ 3.96Å; L24-F28 HydrophobicContact CG-CE1 4.16Å; L24-F28 HydrophobicContact CG-CE2 3.71Å; L24-F28 HydrophobicContact CG-CZ 3.47Å; L24-F28 VanDerWaalsContact CG-CZ 3.47Å; L24-F28 WeakPolarHBondContact O-CG 3.45Å; L24-F28 PolarHBondContact O-N 3.29Å; L24-F28 VanDerWaalsContact O-N 3.1Å; V25-F28 WeakPolarHBondContact O-CB 3.34Å; V25-F28 PolarHBondContact O-N 3.15Å; K26-F28 VanDerWaalsContact C-N 3.35Å; F28-Q30 VanDerWaalsContact C-N 3.34Å; F28-Q30 PolarHBondContact O-N 3.21Å; F28-A31 PolarHBondContact O-N 2.78Å; F28-A32 PolarHBondContact O-N 2.91Å; F28-V62 HydrophobicContact CD2-CB 4.45Å; F28-V62 HydrophobicContact CE2-CB 4.18Å; F28-V62 HydrophobicContact CE2-CG2 4.24Å; F28-F64 HydrophobicContact CB-CE1 3.74Å; F28-F64 HydrophobicContact CB-CZ 3.8Å; F28-F64 HydrophobicContact CD2-CE1 4.4Å; F28-A99 HydrophobicContact CB-CB 4.23Å; F28-A99 HydrophobicContact CD1-CB 3.95Å; F28-A99 HydrophobicContact CD2-CB 3.38Å; F28-A99 HydrophobicContact CE1-CB 4.11Å; F28-A99 HydrophobicContact CE2-CB 3.54Å; F28-A99 HydrophobicContact CG-CB 3.59Å; F28-A99 HydrophobicContact CZ-CB 3.91Å; F28-Y107 HydrophobicContact CE1-CD1 4.09Å; F28-Y107 HydrophobicContact CE1-CD2 4.11Å; F28-Y107 AromaticContact CE1-CG 3.68Å; F28-Y107 HydrophobicContact CE1-CG 3.68Å; F28-Y107 HydrophobicContact CE2-CD1 4.06Å; F28-Y107 HydrophobicContact CE2-CE1 4.2Å; F28-Y107 HydrophobicContact CE2-CG 4.42Å; F28-Y107 AromaticContact CZ-CD1 3.41Å; F28-Y107 HydrophobicContact CZ-CD1 3.41Å; F28-Y107 VanDerWaalsContact CZ-CD1 3.41Å; F28-Y107 AromaticContact CZ-CD2 3.73Å; F28-Y107 HydrophobicContact CZ-CD2 3.73Å; F28-Y107 AromaticContact CZ-CE1 3.78Å; F28-Y107 HydrophobicContact CZ-CE1 3.78Å; F28-Y107 HydrophobicContact CZ-CE2 4.11Å; F28-Y107 AromaticContact CZ-CG 3.36Å; F28-Y107 HydrophobicContact CZ-CG 3.36Å; F28-V109 HydrophobicContact CB-CG1 4.43Å; F28-V109 HydrophobicContact CB-CG2 4.18Å; F28-V109 HydrophobicContact CD1-CG2 3.55Å; F28-V109 HydrophobicContact CE1-CG2 4.27Å; F28-V109 HydrophobicContact CG-CG2 4.11Å
29	A	98.4	Very high	94.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.2	-44	175.4	0	0	0	0	0	111.2	V25 K26 A32 V33 V49 Y52 F64 L66	V25-A29 PolarHBondContact O-N 3.07Å; K26-A29 PolarHBondContact O-N 3.43Å; A29-A32 PolarHBondContact O-N 2.91Å; A29-V33 WeakPolarHBondContact O-CG2 3.41Å; A29-V33 PolarHBondContact O-N 2.9Å; A29-V49 HydrophobicContact CB-CG1 4.08Å; A29-V49 HydrophobicContact CB-CG2 3.95Å; A29-Y52 HydrophobicContact CB-CD1 3.88Å; A29-Y52 HydrophobicContact CB-CE1 4.39Å; A29-F64 HydrophobicContact CB-CE2 3.97Å; A29-F64 HydrophobicContact CB-CZ 4.15Å; A29-L66 HydrophobicContact CB-CD1 4.01Å
30	Q	97.8	Very high	95.4	Very high	91 Å²	91	66.4 Å²	66.4	43%	0.425	34%	0.34	S	S	.	.	H	α-helix	trans	-62.1	-43	174.2	-73.4	172.1	-20.9	0	0	112.1	K26 K27 F28 A32 V33 N34 V49	K26-Q30 WeakPolarHBondContact O-CG 3.45Å; K26-Q30 PolarHBondContact O-N 2.87Å; K27-Q30 PolarHBondContact O-N 3.36Å; F28-Q30 VanDerWaalsContact C-N 3.34Å; F28-Q30 PolarHBondContact O-N 3.21Å; Q30-A32 VanDerWaalsContact C-N 3.34Å; Q30-A32 PolarHBondContact O-N 3.18Å; Q30-V33 PolarHBondContact O-N 3.06Å; Q30-N34 WeakPolarHBondContact O-CB 3.41Å; Q30-N34 PolarHBondContact O-N 3.28Å; Q30-N34 PolarHBondContact O-ND2 2.86Å; Q30-N34 PolarHBondContact O-OD1 2.78Å; Q30-V49 HydrophobicContact CG-CG2 4.33Å
31	A	97.8	Very high	96	Very high	42 Å²	42	70.6 Å²	70.6	35%	0.347	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-41.1	176.8	0	0	0	0	0	112.3	K27 F28 N34 G35 V109	K27-A31 WeakPolarHBondContact O-CB 3.48Å; K27-A31 PolarHBondContact O-N 3.43Å; F28-A31 PolarHBondContact O-N 2.78Å; A31-N34 PolarHBondContact O-N 3.1Å; A31-G35 PolarHBondContact O-N 2.94Å; A31-G35 VanDerWaalsContact O-N 3.08Å; A31-V109 HydrophobicContact CB-CB 4.17Å; A31-V109 HydrophobicContact CB-CG1 4.21Å; A31-V109 HydrophobicContact CB-CG2 4.18Å
32	A	98.3	Very high	96.3	Very high	4 Å²	4	63.8 Å²	63.8	3%	0.033	33%	0.33	C	S	.	.	H	α-helix	trans	-63.3	-47.4	175.4	0	0	0	0	0	112	F28 A29 Q30 N34 G35 I36 L66 V97 V109	F28-A32 PolarHBondContact O-N 2.91Å; A29-A32 PolarHBondContact O-N 2.91Å; Q30-A32 VanDerWaalsContact C-N 3.34Å; Q30-A32 PolarHBondContact O-N 3.18Å; A32-N34 VanDerWaalsContact C-N 3.3Å; A32-N34 PolarHBondContact O-N 2.82Å; A32-G35 WeakPolarHBondContact O-CA 3.46Å; A32-G35 PolarHBondContact O-N 2.76Å; A32-I36 PolarHBondContact O-N 2.87Å; A32-L66 HydrophobicContact CB-CD2 3.62Å; A32-V97 HydrophobicContact CB-CG1 4.15Å; A32-V97 HydrophobicContact CB-CG2 3.73Å; A32-V109 HydrophobicContact CB-CG1 4.38Å
33	V	97.7	Very high	96.5	Very high	6 Å²	6	58.5 Å²	58.5	4%	0.036	32%	0.315	C	S	.	.	H	α-helix	trans	-62.8	-35.6	175.5	170.9	0	0	0	0	112.3	A29 Q30 G35 I36 N37 F47 V49 L66 A68	A29-V33 WeakPolarHBondContact O-CG2 3.41Å; A29-V33 PolarHBondContact O-N 2.9Å; Q30-V33 PolarHBondContact O-N 3.06Å; V33-G35 PolarHBondContact O-N 2.86Å; V33-I36 WeakPolarHBondContact O-CB 3.22Å; V33-I36 PolarHBondContact O-N 3.44Å; V33-N37 WeakPolarHBondContact O-CB 3.36Å; V33-N37 PolarHBondContact O-N 2.83Å; V33-N37 PolarHBondContact O-ND2 2.8Å; V33-F47 HydrophobicContact CG1-CB 4.22Å; V33-F47 WeakPolarHBondContact CG1-O 3.42Å; V33-V49 HydrophobicContact CB-CG2 4.21Å; V33-V49 HydrophobicContact CG2-CB 4.47Å; V33-V49 HydrophobicContact CG2-CG2 3.58Å; V33-L66 HydrophobicContact CG2-CD1 4.41Å; V33-L66 HydrophobicContact CG2-CD2 3.95Å; V33-A68 HydrophobicContact CG2-CB 3.97Å
34	N	96.6	Very high	96.6	Very high	93 Å²	93	60.6 Å²	60.6	50%	0.497	32%	0.318	S	S	.	.	H	α-helix	trans	-63.6	-31.7	172.5	-71.9	-15.3	0	0	0	112.3	Q30 A31 A32 K38	Q30-N34 WeakPolarHBondContact O-CB 3.41Å; Q30-N34 PolarHBondContact O-N 3.28Å; Q30-N34 PolarHBondContact O-ND2 2.86Å; Q30-N34 PolarHBondContact O-OD1 2.78Å; A31-N34 PolarHBondContact O-N 3.1Å; A32-N34 VanDerWaalsContact C-N 3.3Å; A32-N34 PolarHBondContact O-N 2.82Å; N34-K38 WeakPolarHBondContact O-CG 3.45Å; N34-K38 PolarHBondContact O-N 2.97Å
35	G	96.5	Very high	96.7	Very high	36 Å²	36	61 Å²	61	37%	0.371	32%	0.319	S	S	.	.	H	α-helix	trans	-63.4	-51.5	170.2	0	0	0	0	0	111.4	A31 A32 V33 N37 K38 D39	A31-G35 PolarHBondContact O-N 2.94Å; A31-G35 VanDerWaalsContact O-N 3.08Å; A32-G35 WeakPolarHBondContact O-CA 3.46Å; A32-G35 PolarHBondContact O-N 2.76Å; V33-G35 PolarHBondContact O-N 2.86Å; G35-N37 VanDerWaalsContact C-N 3.29Å; G35-N37 PolarHBondContact O-N 3.1Å; G35-K38 PolarHBondContact O-N 3.43Å; G35-D39 PolarHBondContact O-N 2.9Å
36	I	97.1	Very high	96.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-53.4	-47.2	175.3	-63.5	171.5	0	0	0	110.7	A32 V33 K38 D39 S42 F47 A68 L93 M115	A32-I36 PolarHBondContact O-N 2.87Å; V33-I36 WeakPolarHBondContact O-CB 3.22Å; V33-I36 PolarHBondContact O-N 3.44Å; I36-K38 PolarHBondContact O-N 3.48Å; I36-D39 WeakPolarHBondContact O-CB 3.47Å; I36-D39 PolarHBondContact O-N 3.39Å; I36-D39 VanDerWaalsContact O-N 3.09Å; I36-S42 PolarHBondContact O-OG 2.85Å; I36-F47 HydrophobicContact CG2-CB 4.19Å; I36-F47 HydrophobicContact CG2-CD2 4.08Å; I36-F47 HydrophobicContact CG2-CG 4.07Å; I36-A68 HydrophobicContact CD1-CB 3.87Å; I36-L93 HydrophobicContact CG2-CD1 3.73Å; I36-M115 HydrophobicContact CG1-CE 4.43Å; I36-M115 HydrophobicContact CG1-SD 4.2Å; I36-M115 HydrophobicContact CG2-SD 4.44Å
37	N	97	Very high	96.8	Very high	25 Å²	25	56.5 Å²	56.5	13%	0.134	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.8	-178	-76.2	-36	0	0	0	114.8	V33 G35 L46 F47 K75	V33-N37 WeakPolarHBondContact O-CB 3.36Å; V33-N37 PolarHBondContact O-N 2.83Å; V33-N37 PolarHBondContact O-ND2 2.8Å; G35-N37 VanDerWaalsContact C-N 3.29Å; G35-N37 PolarHBondContact O-N 3.1Å; N37-L46 HydrophobicContact CB-CD1 4.33Å; N37-L46 VanDerWaalsContact ND2-CD1 3.33Å; N37-L46 WeakPolarHBondContact ND2-CD1 3.43Å; N37-F47 PolarHBondContact ND2-O 2.91Å; N37-F47 PolarHBondContact OD1-N 2.78Å; N37-K75 WeakPolarHBondContact O-CD 3.43Å
38	K	95.8	Very high	96.8	Very high	179 Å²	179	51.5 Å²	51.5	78%	0.778	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-15.4	174.6	-73.3	175.4	179.8	-176.7	0	112.9	N34 G35 I36	N34-K38 WeakPolarHBondContact O-CG 3.45Å; N34-K38 PolarHBondContact O-N 2.97Å; G35-K38 PolarHBondContact O-N 3.43Å; I36-K38 PolarHBondContact O-N 3.48Å
39	D	95.8	Very high	96.7	Very high	52 Å²	52	53.1 Å²	53.1	28%	0.278	29%	0.289	S	S	.	.			trans	-76.2	136.4	177.1	-162.3	-68.5	0	0	0	109.6	G35 I36 D41 S42 K75 M115	G35-D39 PolarHBondContact O-N 2.9Å; I36-D39 WeakPolarHBondContact O-CB 3.47Å; I36-D39 PolarHBondContact O-N 3.39Å; I36-D39 VanDerWaalsContact O-N 3.09Å; D39-D41 WeakPolarHBondContact OD1-CB 3.37Å; D39-D41 PolarHBondContact OD1-N 3Å; D39-S42 PolarHBondContact O-OG 2.92Å; D39-K75 PolarHBondContact O-NZ 3.36Å; D39-M115 HydrophobicContact CB-CE 4.23Å; D39-M115 HydrophobicContact CB-SD 4.13Å
40	E	94.7	Very high	96.7	Very high	177 Å²	177	57.4 Å²	57.4	83%	0.827	31%	0.306	S	S	*	.	S	Bend	trans	-74.7	-31.7	-178.8	-66.6	-172.9	169.8	0	0	111.8	S42 G43	E40-S42 PolarHBondContact O-N 3.35Å; E40-G43 PolarHBondContact O-N 3.24Å; E40-G43 VanDerWaalsContact O-N 3.15Å
41	D	95.9	Very high	96.6	Very high	115 Å²	115	57.4 Å²	57.4	62%	0.615	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-20	-174.8	-65.6	-25.1	0	0	0	112.1	D39 G43 M115	D39-D41 WeakPolarHBondContact OD1-CB 3.37Å; D39-D41 PolarHBondContact OD1-N 3Å; D41-G43 PolarHBondContact O-N 3.35Å; D41-M115 HydrophobicContact CB-CB 3.88Å
42	S	95.7	Very high	96.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	8.7	174.5	70.2	0	0	0	0	114.7	I36 D39 E40 F47 K75 M115	I36-S42 PolarHBondContact O-OG 2.85Å; D39-S42 PolarHBondContact O-OG 2.92Å; E40-S42 PolarHBondContact O-N 3.35Å; S42-F47 WeakPolarHBondContact O-CE2 3.44Å; S42-K75 WeakPolarHBondContact OG-CE 3.2Å; S42-K75 PolarHBondContact OG-NZ 2.91Å; S42-M115 WeakPolarHBondContact CA-O 3.42Å; S42-M115 WeakPolarHBondContact CB-O 3.16Å
43	G	95.3	Very high	96.5	Very high	39 Å²	39	60.4 Å²	60.4	40%	0.402	31%	0.314	S	S	.	.			trans	82.5	-161.6	170.9	0	0	0	0	0	114.5	E40 D41 K75	E40-G43 PolarHBondContact O-N 3.24Å; E40-G43 VanDerWaalsContact O-N 3.15Å; D41-G43 PolarHBondContact O-N 3.35Å; G43-K75 VanDerWaalsContact O-CD 3.29Å; G43-K75 WeakPolarHBondContact O-CD 3.39Å; G43-K75 WeakPolarHBondContact O-CE 3.27Å; G43-K75 PolarHBondContact O-NZ 2.96Å
44	D	95.6	Very high	96.4	Very high	102 Å²	102	65.1 Å²	65.1	55%	0.545	34%	0.34	S	S	.	.	S	Bend	trans	-93.3	-9.5	-172.5	77.6	-36.8	0	0	0	113.9	P74 K75	D44-P74 CarbonylContact O-C 3.57Å; D44-P74 VanDerWaalsContact O-CA 3.28Å; D44-P74 WeakPolarHBondContact O-CA 3.49Å; D44-K75 PolarHBondContact O-N 2.86Å
45	K	96.6	Very high	96.4	Very high	56 Å²	56	63.5 Å²	63.5	24%	0.243	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	150	-174.6	-61.4	-45.1	179.4	-147.1	0	113	Q70 C73 K75	K45-Q70 HydrophobicContact CB-CG 3.45Å; K45-Q70 VanDerWaalsContact CB-CG 3.45Å; K45-Q70 HydrophobicContact CG-CG 4.08Å; K45-C73 WeakPolarHBondContact CA-O 3.42Å; K45-K75 WeakPolarHBondContact O-CE 3.37Å; K45-K75 WeakPolarHBondContact O-CG 3.25Å
46	L	97.1	Very high	96.3	Very high	21 Å²	21	68.8 Å²	68.8	11%	0.11	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	127.6	175.5	-175.6	79.3	0	0	0	109.9	N37 I48 S71 C73 Y79	N37-L46 HydrophobicContact CB-CD1 4.33Å; N37-L46 VanDerWaalsContact ND2-CD1 3.33Å; N37-L46 WeakPolarHBondContact ND2-CD1 3.43Å; L46-I48 HydrophobicContact CD2-CG2 4.36Å; L46-S71 WeakPolarHBondContact O-CA 3.3Å; L46-S71 WeakPolarHBondContact O-CB 3.05Å; L46-S71 PolarHBondContact O-N 3.46Å; L46-S71 PolarHBondContact O-OG 3.49Å; L46-C73 PolarHBondContact N-O 2.84Å; L46-Y79 HydrophobicContact CD2-CD2 4.22Å
47	F	97.8	Very high	96.1	Very high	2 Å²	2	71.2 Å²	71.2	1%	0.009	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	145.6	166.4	-78.3	-96.9	0	0	0	111	V33 I36 N37 S42 A68 V69 Q70 L93 P117	V33-F47 HydrophobicContact CG1-CB 4.22Å; V33-F47 WeakPolarHBondContact CG1-O 3.42Å; I36-F47 HydrophobicContact CG2-CB 4.19Å; I36-F47 HydrophobicContact CG2-CD2 4.08Å; I36-F47 HydrophobicContact CG2-CG 4.07Å; N37-F47 PolarHBondContact ND2-O 2.91Å; N37-F47 PolarHBondContact OD1-N 2.78Å; S42-F47 WeakPolarHBondContact O-CE2 3.44Å; F47-A68 HydrophobicContact CB-CB 4.26Å; F47-A68 HydrophobicContact CD1-CB 3.94Å; F47-V69 WeakPolarHBondContact CA-O 3.33Å; F47-V69 VanDerWaalsContact CD1-C 3.48Å; F47-Q70 HydrophobicContact CD1-CB 4.3Å; F47-Q70 HydrophobicContact CE1-CB 3.75Å; F47-Q70 HydrophobicContact CE1-CG 4.43Å; F47-Q70 HydrophobicContact CE2-CB 4.27Å; F47-Q70 HydrophobicContact CE2-CG 4.06Å; F47-Q70 HydrophobicContact CZ-CB 3.73Å; F47-Q70 HydrophobicContact CZ-CG 3.96Å; F47-L93 HydrophobicContact CD1-CD1 4.14Å; F47-L93 HydrophobicContact CD1-CG 4.26Å; F47-L93 HydrophobicContact CE1-CB 4.39Å; F47-L93 HydrophobicContact CE1-CD1 3.76Å; F47-L93 HydrophobicContact CE1-CG 3.62Å; F47-L93 HydrophobicContact CE2-CD1 4.21Å; F47-L93 HydrophobicContact CZ-CD1 3.79Å; F47-L93 HydrophobicContact CZ-CG 3.94Å; F47-P117 HydrophobicContact CE2-CG 4.19Å; F47-P117 HydrophobicContact CZ-CB 4.18Å; F47-P117 HydrophobicContact CZ-CG 3.75Å
48	I	97.1	Very high	95.9	Very high	30 Å²	30	74.2 Å²	74.2	15%	0.154	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	159.1	174.2	65.6	176.2	0	0	0	110.5	L46 Y50 A68 V69 Y79 P86	L46-I48 HydrophobicContact CD2-CG2 4.36Å; I48-Y50 PolarHBondContact O-N 2.93Å; I48-A68 CarbonylContact O-C 3.49Å; I48-A68 VanDerWaalsContact O-CA 3.3Å; I48-A68 WeakPolarHBondContact O-CA 3.28Å; I48-V69 HydrophobicContact CD1-CG1 4.13Å; I48-V69 HydrophobicContact CG1-CG1 3.56Å; I48-V69 PolarHBondContact N-O 2.7Å; I48-V69 PolarHBondContact O-N 2.9Å; I48-Y79 HydrophobicContact CD1-CE1 4.31Å; I48-Y79 HydrophobicContact CD1-CE2 3.67Å; I48-Y79 VanDerWaalsContact CD1-OH 3.3Å; I48-Y79 WeakPolarHBondContact CD1-OH 3.5Å; I48-Y79 HydrophobicContact CG2-CD2 3.63Å; I48-Y79 HydrophobicContact CG2-CE2 3.77Å; I48-Y79 HydrophobicContact CG2-CG 4.05Å; I48-P86 HydrophobicContact CD1-CG 3.76Å; I48-P86 HydrophobicContact CG1-CG 4.35Å
49	V	97.3	Very high	95.6	Very high	45 Å²	45	73 Å²	73	27%	0.273	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	116.2	171.8	179.9	0	0	0	0	108.7	A29 Q30 V33 Y52 L66	A29-V49 HydrophobicContact CB-CG1 4.08Å; A29-V49 HydrophobicContact CB-CG2 3.95Å; Q30-V49 HydrophobicContact CG-CG2 4.33Å; V33-V49 HydrophobicContact CB-CG2 4.21Å; V33-V49 HydrophobicContact CG2-CB 4.47Å; V33-V49 HydrophobicContact CG2-CG2 3.58Å; V49-Y52 HydrophobicContact CG1-CD1 4.15Å; V49-L66 HydrophobicContact CG1-CD1 4.02Å; V49-L66 HydrophobicContact CG2-CD1 4.41Å
50	Y	96.7	Very high	95.5	Very high	91 Å²	91	78.5 Å²	78.5	36%	0.357	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-56.6	171.1	178.4	-121.4	0	0	0	111.1	I48 I67 V69 L123 L126	I48-Y50 PolarHBondContact O-N 2.93Å; Y50-I67 WeakPolarHBondContact CB-O 3.45Å; Y50-I67 HydrophobicContact CD1-CB 4.46Å; Y50-I67 HydrophobicContact CD1-CG2 4.08Å; Y50-I67 PolarHBondContact N-O 3.08Å; Y50-V69 HydrophobicContact CD2-CG1 4.42Å; Y50-V69 HydrophobicContact CG-CG1 4.38Å; Y50-L123 HydrophobicContact CD1-CD1 3.65Å; Y50-L123 HydrophobicContact CD2-CD1 3.82Å; Y50-L123 HydrophobicContact CE1-CD1 3.49Å; Y50-L123 VanDerWaalsContact CE1-CD1 3.49Å; Y50-L123 HydrophobicContact CE2-CD1 3.68Å; Y50-L123 HydrophobicContact CE2-CD2 4.4Å; Y50-L123 HydrophobicContact CE2-CG 4.49Å; Y50-L123 HydrophobicContact CG-CD1 3.81Å; Y50-L123 VanDerWaalsContact CZ-CD1 3.49Å; Y50-L126 HydrophobicContact CD1-CD1 4.37Å; Y50-L126 HydrophobicContact CE1-CD1 4.36Å
51	K	96.5	Very high	95.5	Very high	91 Å²	91	70.5 Å²	70.5	40%	0.396	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	161.9	174.4	66.8	178	176.7	177.4	0	110.8	I67	K51-I67 HydrophobicContact CD-CD1 4.39Å; K51-I67 HydrophobicContact CG-CB 4.09Å; K51-I67 HydrophobicContact CG-CD1 4.18Å; K51-I67 HydrophobicContact CG-CG1 4.17Å; K51-I67 PolarHBondContact N-O 3.21Å; K51-I67 PolarHBondContact O-N 2.91Å
52	Y	96.9	Very high	95.6	Very high	58 Å²	58	65 Å²	65	23%	0.227	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.8	165.2	52.4	-95.3	0	0	0	109.6	E22 V25 A29 V49 V55 F64 D65	E22-Y52 WeakPolarHBondContact CG-OH 3.41Å; V25-Y52 HydrophobicContact CB-CE2 4.19Å; V25-Y52 HydrophobicContact CG1-CD2 3.7Å; V25-Y52 HydrophobicContact CG1-CE2 3.6Å; V25-Y52 HydrophobicContact CG1-CG 4.34Å; A29-Y52 HydrophobicContact CB-CD1 3.88Å; A29-Y52 HydrophobicContact CB-CE1 4.39Å; V49-Y52 HydrophobicContact CG1-CD1 4.15Å; Y52-V55 HydrophobicContact CD2-CG2 4.18Å; Y52-F64 HydrophobicContact CG-CD2 4.43Å; Y52-D65 CarbonylContact C-O 3.55Å; Y52-D65 WeakPolarHBondContact CA-O 3.3Å; Y52-D65 WeakPolarHBondContact CB-O 3.42Å
53	S	96.8	Very high	95.6	Very high	50 Å²	50	66.9 Å²	66.9	35%	0.35	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	177.5	-175	65.7	0	0	0	0	111.5	V55 F64 D65	S53-V55 PolarHBondContact O-N 2.77Å; S53-F64 WeakPolarHBondContact O-CB 3.32Å; S53-D65 PolarHBondContact N-O 2.84Å; S53-D65 PolarHBondContact O-N 3.43Å
54	N	96	Very high	95.8	Very high	106 Å²	106	65.1 Å²	65.1	57%	0.567	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.9	38.6	176.8	-58.7	-36.8	0	0	0	113.5	K56 D65	N54-K56 PolarHBondContact O-N 2.88Å; N54-D65 WeakPolarHBondContact CB-OD2 3.09Å; N54-D65 PolarHBondContact ND2-OD2 2.82Å
55	V	96.4	Very high	95.9	Very high	59 Å²	59	62.4 Å²	62.4	36%	0.358	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	123.1	179.3	-173.4	0	0	0	0	109.4	V20 V25 Y52 S53 V62 T63 F64	V20-V55 HydrophobicContact CG1-CG1 3.69Å; V25-V55 HydrophobicContact CG1-CG2 4.07Å; V25-V55 HydrophobicContact CG2-CG1 4.03Å; Y52-V55 HydrophobicContact CD2-CG2 4.18Å; S53-V55 PolarHBondContact O-N 2.77Å; V55-V62 HydrophobicContact CG1-CG1 3.98Å; V55-T63 CarbonylContact C-O 3.45Å; V55-T63 WeakPolarHBondContact CA-O 3.26Å; V55-F64 HydrophobicContact CB-CB 4.35Å; V55-F64 HydrophobicContact CG2-CB 3.88Å
56	K	95.1	Very high	96	Very high	146 Å²	146	59.9 Å²	59.9	64%	0.635	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.5	175.1	-64.4	177.2	-176.5	180	0	108.7	N54 V62 T63	N54-K56 PolarHBondContact O-N 2.88Å; K56-V62 CarbonylContact O-C 3.49Å; K56-V62 WeakPolarHBondContact O-CA 3.44Å; K56-T63 PolarHBondContact N-O 3.47Å; K56-T63 PolarHBondContact O-N 3.49Å; K56-T63 PolarHBondContact O-OG1 2.88Å
57	E	93	Very high	96	Very high	52 Å²	52	59.7 Å²	59.7	24%	0.243	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.9	174.1	180	174.6	-168.1	0	0	109.7	S18 V20 V62 K101	S18-E57 VanDerWaalsContact O-OE2 3.12Å; V20-E57 WeakPolarHBondContact CA-OE2 3.39Å; V20-E57 VanDerWaalsContact CB-OE2 3.32Å; V20-E57 WeakPolarHBondContact CB-OE2 3.32Å; V20-E57 PolarHBondContact N-OE2 3.37Å; E57-V62 HydrophobicContact CB-CG2 4.24Å; E57-V62 HydrophobicContact CG-CG2 3.96Å; E57-K101 WeakPolarHBondContact OE1-CE 3.49Å; E57-K101 IonicContact OE1-NZ 3.39Å; E57-K101 PolarHBondContact OE1-NZ 2.97Å
58	N	91.2	Very high	96	Very high	88 Å²	88	59.6 Å²	59.6	47%	0.471	30%	0.297	S	S	.	.			trans	-136.1	-175.5	163.6	65.3	38.5	0	0	0	109.9	K60 A61 K101	N58-K60 PolarHBondContact O-N 3.38Å; N58-K60 VanDerWaalsContact O-N 3.09Å; N58-K60 WeakPolarHBondContact OD1-CA 3.33Å; N58-K60 PolarHBondContact OD1-N 2.98Å; N58-A61 PolarHBondContact N-O 3.38Å; N58-A61 PolarHBondContact OD1-N 3.04Å; N58-A61 PolarHBondContact OD1-O 2.77Å; N58-K101 PolarHBondContact O-NZ 2.97Å
59	D	89.8	Confident	96.1	Very high	153 Å²	153	58.2 Å²	58.2	82%	0.818	29%	0.29	S	S	*	.	S	Bend	trans	-61	-21.7	-177.4	-60.1	-23.6	0	0	0	113.8	K101	D59-K101 WeakPolarHBondContact O-CD 3.45Å
60	K	93.6	Very high	96.1	Very high	168 Å²	168	58 Å²	58	73%	0.73	29%	0.286	S	S	*	.	S	Bend	trans	-105.9	-27.8	-173.5	-61	-176.9	-178.3	178.5	0	113.4	N58 K101	N58-K60 PolarHBondContact O-N 3.38Å; N58-K60 VanDerWaalsContact O-N 3.09Å; N58-K60 WeakPolarHBondContact OD1-CA 3.33Å; N58-K60 PolarHBondContact OD1-N 2.98Å; K60-K101 WeakPolarHBondContact O-CB 3.39Å; K60-K101 PolarHBondContact O-N 3.27Å
61	A	95.8	Very high	96.1	Very high	9 Å²	9	53.8 Å²	53.8	7%	0.074	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	160.9	-172.8	0	0	0	0	0	113.4	N58 T63 V98 A99	N58-A61 PolarHBondContact N-O 3.38Å; N58-A61 PolarHBondContact OD1-N 3.04Å; N58-A61 PolarHBondContact OD1-O 2.77Å; A61-T63 HydrophobicContact CB-CG2 4.41Å; A61-V98 HydrophobicContact CB-CG1 4.09Å; A61-A99 CarbonylContact C-O 3.55Å; A61-A99 WeakPolarHBondContact CA-O 3.26Å; A61-A99 WeakPolarHBondContact CB-O 3.39Å
62	V	96.4	Very high	96.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.7	159.3	-179.8	0	0	0	0	107.6	V20 V25 F28 V55 K56 E57 F64 A99 Y107	V20-V62 HydrophobicContact CB-CG2 4.1Å; V20-V62 HydrophobicContact CG1-CG1 4.03Å; V20-V62 HydrophobicContact CG1-CG2 4.43Å; V20-V62 HydrophobicContact CG2-CG1 4.3Å; V20-V62 HydrophobicContact CG2-CG2 3.88Å; V25-V62 HydrophobicContact CG2-CG1 4.48Å; F28-V62 HydrophobicContact CD2-CB 4.45Å; F28-V62 HydrophobicContact CE2-CB 4.18Å; F28-V62 HydrophobicContact CE2-CG2 4.24Å; V55-V62 HydrophobicContact CG1-CG1 3.98Å; K56-V62 CarbonylContact O-C 3.49Å; K56-V62 WeakPolarHBondContact O-CA 3.44Å; E57-V62 HydrophobicContact CB-CG2 4.24Å; E57-V62 HydrophobicContact CG-CG2 3.96Å; V62-F64 HydrophobicContact CG1-CD1 4.35Å; V62-A99 HydrophobicContact CB-CB 4.35Å; V62-A99 PolarHBondContact N-O 3.42Å; V62-A99 PolarHBondContact O-N 3.22Å; V62-Y107 HydrophobicContact CG2-CE1 4.37Å
63	T	97.7	Very high	96	Very high	39 Å²	39	50.5 Å²	50.5	24%	0.239	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.2	178.9	62.7	0	0	0	0	110.2	V55 K56 A61 V97 V98	V55-T63 CarbonylContact C-O 3.45Å; V55-T63 WeakPolarHBondContact CA-O 3.26Å; K56-T63 PolarHBondContact N-O 3.47Å; K56-T63 PolarHBondContact O-N 3.49Å; K56-T63 PolarHBondContact O-OG1 2.88Å; A61-T63 HydrophobicContact CB-CG2 4.41Å; T63-V97 VanDerWaalsContact CA-O 3.26Å; T63-V97 WeakPolarHBondContact CA-O 2.92Å; T63-V98 HydrophobicContact CG2-CB 4.45Å; T63-V98 HydrophobicContact CG2-CG1 4.16Å; T63-V98 HydrophobicContact CG2-CG2 4.08Å
64	F	98.2	Very high	96	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	162	179.2	58.5	-87	0	0	0	110.8	V25 F28 A29 Y52 S53 V55 V62 L66 V97	V25-F64 HydrophobicContact CG1-CD1 4.04Å; V25-F64 HydrophobicContact CG1-CE1 4.09Å; V25-F64 HydrophobicContact CG1-CG 4.27Å; V25-F64 HydrophobicContact CG1-CZ 4.33Å; F28-F64 HydrophobicContact CB-CE1 3.74Å; F28-F64 HydrophobicContact CB-CZ 3.8Å; F28-F64 HydrophobicContact CD2-CE1 4.4Å; A29-F64 HydrophobicContact CB-CE2 3.97Å; A29-F64 HydrophobicContact CB-CZ 4.15Å; Y52-F64 HydrophobicContact CG-CD2 4.43Å; S53-F64 WeakPolarHBondContact O-CB 3.32Å; V55-F64 HydrophobicContact CB-CB 4.35Å; V55-F64 HydrophobicContact CG2-CB 3.88Å; V62-F64 HydrophobicContact CG1-CD1 4.35Å; F64-L66 HydrophobicContact CD2-CB 4.39Å; F64-L66 HydrophobicContact CE2-CB 4.15Å; F64-V97 HydrophobicContact CD1-CB 4.12Å; F64-V97 HydrophobicContact CD1-CG1 4.33Å; F64-V97 HydrophobicContact CD2-CB 4.01Å; F64-V97 HydrophobicContact CD2-CG2 4.21Å; F64-V97 HydrophobicContact CE1-CB 3.73Å; F64-V97 HydrophobicContact CE1-CG1 3.52Å; F64-V97 HydrophobicContact CE2-CB 3.63Å; F64-V97 HydrophobicContact CE2-CG1 4.03Å; F64-V97 HydrophobicContact CE2-CG2 3.64Å; F64-V97 HydrophobicContact CG-CB 4.25Å; F64-V97 HydrophobicContact CZ-CB 3.48Å; F64-V97 VanDerWaalsContact CZ-CB 3.48Å; F64-V97 HydrophobicContact CZ-CG1 3.35Å; F64-V97 HydrophobicContact CZ-CG2 3.86Å; F64-V97 PolarHBondContact N-O 3.39Å; F64-V97 VanDerWaalsContact N-O 3.1Å; F64-V97 PolarHBondContact O-N 3.37Å
65	D	98.2	Very high	95.9	Very high	46 Å²	46	48.7 Å²	48.7	25%	0.246	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	135	171.4	-57.4	-33.5	0	0	0	108.7	Y52 S53 N54 K96	Y52-D65 CarbonylContact C-O 3.55Å; Y52-D65 WeakPolarHBondContact CA-O 3.3Å; Y52-D65 WeakPolarHBondContact CB-O 3.42Å; S53-D65 PolarHBondContact N-O 2.84Å; S53-D65 PolarHBondContact O-N 3.43Å; N54-D65 WeakPolarHBondContact CB-OD2 3.09Å; N54-D65 PolarHBondContact ND2-OD2 2.82Å; D65-K96 IonicContact OD1-NZ 3.73Å; D65-K96 PolarHBondContact OD1-NZ 3.47Å
66	L	98.5	Very high	95.6	Very high	2 Å²	2	50 Å²	50	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.8	-177.5	170.4	66.5	0	0	0	109	A29 A32 V33 V49 F64 H95 V97	A29-L66 HydrophobicContact CB-CD1 4.01Å; A32-L66 HydrophobicContact CB-CD2 3.62Å; V33-L66 HydrophobicContact CG2-CD1 4.41Å; V33-L66 HydrophobicContact CG2-CD2 3.95Å; V49-L66 HydrophobicContact CG1-CD1 4.02Å; V49-L66 HydrophobicContact CG2-CD1 4.41Å; F64-L66 HydrophobicContact CD2-CB 4.39Å; F64-L66 HydrophobicContact CE2-CB 4.15Å; L66-H95 HydrophobicContact CB-CB 4.38Å; L66-H95 PolarHBondContact N-O 3.33Å; L66-H95 PolarHBondContact O-N 3Å; L66-V97 HydrophobicContact CB-CG2 3.62Å; L66-V97 HydrophobicContact CD2-CG2 3.75Å; L66-V97 HydrophobicContact CG-CG2 4.34Å
67	I	97.8	Very high	95.4	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.087	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116	165.2	-55.3	-164.8	0	0	0	108.1	Y50 K51 V92 E94 L126	Y50-I67 WeakPolarHBondContact CB-O 3.45Å; Y50-I67 HydrophobicContact CD1-CB 4.46Å; Y50-I67 HydrophobicContact CD1-CG2 4.08Å; Y50-I67 PolarHBondContact N-O 3.08Å; K51-I67 HydrophobicContact CD-CD1 4.39Å; K51-I67 HydrophobicContact CG-CB 4.09Å; K51-I67 HydrophobicContact CG-CD1 4.18Å; K51-I67 HydrophobicContact CG-CG1 4.17Å; K51-I67 PolarHBondContact N-O 3.21Å; K51-I67 PolarHBondContact O-N 2.91Å; I67-V92 HydrophobicContact CG2-CB 4.1Å; I67-V92 HydrophobicContact CG2-CG1 4.29Å; I67-E94 HydrophobicContact CD1-CG 4.47Å; I67-E94 HydrophobicContact CG1-CG 4.37Å; I67-L126 HydrophobicContact CD1-CD1 3.67Å; I67-L126 HydrophobicContact CD1-CD2 3.97Å; I67-L126 HydrophobicContact CD1-CG 4.44Å; I67-L126 HydrophobicContact CG2-CD1 3.59Å
68	A	98	Very high	95.2	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	138.6	168.7	0	0	0	0	0	109	V33 I36 F47 I48 V92 L93	V33-A68 HydrophobicContact CG2-CB 3.97Å; I36-A68 HydrophobicContact CD1-CB 3.87Å; F47-A68 HydrophobicContact CB-CB 4.26Å; F47-A68 HydrophobicContact CD1-CB 3.94Å; I48-A68 CarbonylContact O-C 3.49Å; I48-A68 VanDerWaalsContact O-CA 3.3Å; I48-A68 WeakPolarHBondContact O-CA 3.28Å; A68-V92 CarbonylContact O-C 3.55Å; A68-V92 VanDerWaalsContact O-CA 3.27Å; A68-V92 WeakPolarHBondContact O-CA 3.02Å; A68-L93 HydrophobicContact CB-CB 4.46Å; A68-L93 PolarHBondContact N-O 3.38Å; A68-L93 PolarHBondContact O-N 3.07Å
69	V	97.6	Very high	95.2	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.2	177.7	64.8	0	0	0	0	110.4	F47 I48 Y50 S71 P86 V92 L123	F47-V69 WeakPolarHBondContact CA-O 3.33Å; F47-V69 VanDerWaalsContact CD1-C 3.48Å; I48-V69 HydrophobicContact CD1-CG1 4.13Å; I48-V69 HydrophobicContact CG1-CG1 3.56Å; I48-V69 PolarHBondContact N-O 2.7Å; I48-V69 PolarHBondContact O-N 2.9Å; Y50-V69 HydrophobicContact CD2-CG1 4.42Å; Y50-V69 HydrophobicContact CG-CG1 4.38Å; V69-S71 PolarHBondContact O-N 2.95Å; V69-P86 HydrophobicContact CG1-CB 4.09Å; V69-P86 HydrophobicContact CG1-CG 3.62Å; V69-P86 HydrophobicContact CG2-CB 3.7Å; V69-P86 HydrophobicContact CG2-CG 4.13Å; V69-V92 HydrophobicContact CB-CG1 4.22Å; V69-V92 HydrophobicContact CG2-CG1 4.02Å; V69-L123 HydrophobicContact CB-CD1 4.38Å; V69-L123 HydrophobicContact CG2-CB 4.26Å; V69-L123 HydrophobicContact CG2-CD1 3.99Å; V69-L123 HydrophobicContact CG2-CD2 4.21Å; V69-L123 HydrophobicContact CG2-CG 4.39Å
70	Q	97.7	Very high	95.3	Very high	41 Å²	41	45.9 Å²	45.9	19%	0.192	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	124.7	176.4	-163	-176.5	-79.3	0	0	110.7	K45 F47 S90 P91	K45-Q70 HydrophobicContact CB-CG 3.45Å; K45-Q70 VanDerWaalsContact CB-CG 3.45Å; K45-Q70 HydrophobicContact CG-CG 4.08Å; F47-Q70 HydrophobicContact CD1-CB 4.3Å; F47-Q70 HydrophobicContact CE1-CB 3.75Å; F47-Q70 HydrophobicContact CE1-CG 4.43Å; F47-Q70 HydrophobicContact CE2-CB 4.27Å; F47-Q70 HydrophobicContact CE2-CG 4.06Å; F47-Q70 HydrophobicContact CZ-CB 3.73Å; F47-Q70 HydrophobicContact CZ-CG 3.96Å; Q70-S90 WeakPolarHBondContact O-CB 3.37Å; Q70-S90 PolarHBondContact O-OG 3.27Å; Q70-P91 HydrophobicContact CB-CB 4.36Å; Q70-P91 WeakPolarHBondContact CB-O 3.47Å; Q70-P91 PolarHBondContact N-O 3.19Å
71	S	97	Very high	95.2	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.014	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	172	172.7	84	0	0	0	0	111.1	L46 V69 C73 C84	L46-S71 WeakPolarHBondContact O-CA 3.3Å; L46-S71 WeakPolarHBondContact O-CB 3.05Å; L46-S71 PolarHBondContact O-N 3.46Å; L46-S71 PolarHBondContact O-OG 3.49Å; V69-S71 PolarHBondContact O-N 2.95Å; S71-C73 VanDerWaalsContact C-N 3.26Å; S71-C73 PolarHBondContact OG-N 3.07Å; S71-C73 PolarHBondContact OG-O 3.3Å; S71-C84 WeakPolarHBondContact CA-O 3.33Å; S71-C84 WeakPolarHBondContact CB-O 3.37Å
72	A	95.6	Very high	95	Very high	62 Å²	62	53 Å²	53	51%	0.512	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-11.8	172.6	0	0	0	0	0	113.3	C84	A72-C84 PolarHBondContact N-O 3.13Å
73	C	96.3	Very high	94.7	Very high	19 Å²	19	60.5 Å²	60.5	13%	0.128	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	145.9	-173.1	-75.3	0	0	0	0	112.2	K45 L46 S71 A77 C84	K45-C73 WeakPolarHBondContact CA-O 3.42Å; L46-C73 PolarHBondContact N-O 2.84Å; S71-C73 VanDerWaalsContact C-N 3.26Å; S71-C73 PolarHBondContact OG-N 3.07Å; S71-C73 PolarHBondContact OG-O 3.3Å; C73-A77 HydrophobicContact CB-CB 4.35Å; C73-C84 HydrophobicContact CB-CB 3.71Å; C73-C84 WeakPolarHBondContact CB-SG 3.22Å; C73-C84 VanDerWaalsContact SG-CA 3.5Å; C73-C84 WeakPolarHBondContact SG-CB 3.45Å; C73-C84 CovalentContact SG-SG 2.01Å; C73-C84 PolarHBondContact SG-SG 2.01Å
74	P	95.8	Very high	94.6	Very high	67 Å²	67	58.7 Å²	58.7	44%	0.435	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	156.5	175.3	30.3	-34.3	0	0	0	111	D44 A77	D44-P74 CarbonylContact O-C 3.57Å; D44-P74 VanDerWaalsContact O-CA 3.28Å; D44-P74 WeakPolarHBondContact O-CA 3.49Å; P74-A77 HydrophobicContact CG-CB 4.18Å; P74-A77 WeakPolarHBondContact O-CB 3.44Å; P74-A77 PolarHBondContact O-N 2.98Å
75	K	94.7	Very high	94.4	Very high	51 Å²	51	65.1 Å²	65.1	22%	0.222	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	144.3	169.7	-73.8	178.1	174.3	169.5	0	110.5	N37 D39 S42 G43 D44 K45 A77	N37-K75 WeakPolarHBondContact O-CD 3.43Å; D39-K75 PolarHBondContact O-NZ 3.36Å; S42-K75 WeakPolarHBondContact OG-CE 3.2Å; S42-K75 PolarHBondContact OG-NZ 2.91Å; G43-K75 VanDerWaalsContact O-CD 3.29Å; G43-K75 WeakPolarHBondContact O-CD 3.39Å; G43-K75 WeakPolarHBondContact O-CE 3.27Å; G43-K75 PolarHBondContact O-NZ 2.96Å; D44-K75 PolarHBondContact O-N 2.86Å; K45-K75 WeakPolarHBondContact O-CE 3.37Å; K45-K75 WeakPolarHBondContact O-CG 3.25Å; K75-A77 PolarHBondContact O-N 3.42Å
76	G	89.3	Confident	94.2	Very high	85 Å²	85	64 Å²	64	88%	0.876	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-12.4	-177.6	0	0	0	0	0	115.1
77	A	91.5	Very high	94	Very high	39 Å²	39	67.6 Å²	67.6	32%	0.322	36%	0.362	S	S	.	.	S	Bend	trans	-73.9	148.3	169.8	0	0	0	0	0	111.3	C73 P74 K75	C73-A77 HydrophobicContact CB-CB 4.35Å; P74-A77 HydrophobicContact CG-CB 4.18Å; P74-A77 WeakPolarHBondContact O-CB 3.44Å; P74-A77 PolarHBondContact O-N 2.98Å; K75-A77 PolarHBondContact O-N 3.42Å
78	E	89.7	Confident	93.9	Very high	180 Å²	180	68.2 Å²	68.2	84%	0.841	37%	0.373	S	S	*	.			trans	-68.1	132.7	166.4	-170.7	176.5	-177.9	0	0	109.6	D80	E78-D80 PolarHBondContact O-N 2.99Å
79	Y	91	Very high	93.7	Very high	80 Å²	80	78.3 Å²	78.3	31%	0.314	41%	0.411	S	S	.	.			trans	-72.9	112.4	179.7	179	-103.7	0	0	0	110.9	L46 I48 E81 C84	L46-Y79 HydrophobicContact CD2-CD2 4.22Å; I48-Y79 HydrophobicContact CD1-CE1 4.31Å; I48-Y79 HydrophobicContact CD1-CE2 3.67Å; I48-Y79 VanDerWaalsContact CD1-OH 3.3Å; I48-Y79 WeakPolarHBondContact CD1-OH 3.5Å; I48-Y79 HydrophobicContact CG2-CD2 3.63Å; I48-Y79 HydrophobicContact CG2-CE2 3.77Å; I48-Y79 HydrophobicContact CG2-CG 4.05Å; Y79-E81 HydrophobicContact CE1-CB 3.88Å; Y79-E81 HydrophobicContact CE1-CG 4.44Å; Y79-C84 HydrophobicContact CD2-CB 3.54Å; Y79-C84 HydrophobicContact CE2-CB 3.51Å
80	D	91.9	Very high	93.6	Very high	54 Å²	54	78.9 Å²	78.9	29%	0.289	42%	0.415	S	S	.	.			trans	-106.5	108.4	169.7	178.7	-18.9	0	0	0	108.5	E78 K82 K83 C84	E78-D80 PolarHBondContact O-N 2.99Å; D80-K82 PolarHBondContact O-N 3Å; D80-K82 WeakPolarHBondContact OD1-CB 3.18Å; D80-K82 PolarHBondContact OD1-N 3.02Å; D80-K83 HydrophobicContact CB-CB 4.24Å; D80-K83 HydrophobicContact CB-CD 4.34Å; D80-K83 HydrophobicContact CB-CG 4.42Å; D80-K83 PolarHBondContact O-N 2.8Å; D80-K83 VanDerWaalsContact OD2-CD 3.27Å; D80-K83 WeakPolarHBondContact OD2-CD 3.41Å; D80-K83 WeakPolarHBondContact OD2-CE 3.27Å; D80-K83 IonicContact OD2-NZ 2.71Å; D80-K83 PolarHBondContact OD2-NZ 3.41Å; D80-C84 PolarHBondContact N-SG 2.89Å; D80-C84 VanDerWaalsContact N-SG 3.42Å; D80-C84 VanDerWaalsContact O-CB 3.25Å; D80-C84 WeakPolarHBondContact O-CB 3.28Å; D80-C84 PolarHBondContact O-N 2.92Å; D80-C84 PolarHBondContact O-SG 2.94Å; D80-C84 VanDerWaalsContact O-SG 3.38Å
81	E	90.3	Very high	93.6	Very high	127 Å²	127	77.9 Å²	77.9	59%	0.593	41%	0.412	S	S	*	.	H	α-helix	trans	-54.4	-30.1	-177	-173.6	178.5	177.4	0	0	113.1	Y79 K85	Y79-E81 HydrophobicContact CE1-CB 3.88Å; Y79-E81 HydrophobicContact CE1-CG 4.44Å; E81-K85 WeakPolarHBondContact O-CB 3.45Å; E81-K85 PolarHBondContact O-N 2.87Å
82	K	91.5	Very high	93.6	Very high	200 Å²	200	78.1 Å²	78.1	87%	0.87	41%	0.413	S	S	*	.	H	α-helix	trans	-74.8	-28.3	-179.7	-63.1	-179.8	-179.5	177.3	0	112.6	D80	D80-K82 PolarHBondContact O-N 3Å; D80-K82 WeakPolarHBondContact OD1-CB 3.18Å; D80-K82 PolarHBondContact OD1-N 3.02Å
83	K	91.1	Very high	93.7	Very high	157 Å²	157	75.2 Å²	75.2	68%	0.683	39%	0.389	S	S	*	.	H	α-helix	trans	-102.9	-33.4	-176.1	-63	178.2	-171.4	139.4	0	112.9	D80	D80-K83 HydrophobicContact CB-CB 4.24Å; D80-K83 HydrophobicContact CB-CD 4.34Å; D80-K83 HydrophobicContact CB-CG 4.42Å; D80-K83 PolarHBondContact O-N 2.8Å; D80-K83 VanDerWaalsContact OD2-CD 3.27Å; D80-K83 WeakPolarHBondContact OD2-CD 3.41Å; D80-K83 WeakPolarHBondContact OD2-CE 3.27Å; D80-K83 IonicContact OD2-NZ 2.71Å; D80-K83 PolarHBondContact OD2-NZ 3.41Å
84	C	94.2	Very high	93.8	Very high	1 Å²	1	79.4 Å²	79.4	1%	0.007	41%	0.407	C	S	.	.	H	α-helix	trans	-99.7	3.3	-171.2	-53.3	0	0	0	0	112.8	S71 A72 C73 Y79 D80	S71-C84 WeakPolarHBondContact CA-O 3.33Å; S71-C84 WeakPolarHBondContact CB-O 3.37Å; A72-C84 PolarHBondContact N-O 3.13Å; C73-C84 HydrophobicContact CB-CB 3.71Å; C73-C84 WeakPolarHBondContact CB-SG 3.22Å; C73-C84 VanDerWaalsContact SG-CA 3.5Å; C73-C84 WeakPolarHBondContact SG-CB 3.45Å; C73-C84 CovalentContact SG-SG 2.01Å; C73-C84 PolarHBondContact SG-SG 2.01Å; Y79-C84 HydrophobicContact CD2-CB 3.54Å; Y79-C84 HydrophobicContact CE2-CB 3.51Å; D80-C84 PolarHBondContact N-SG 2.89Å; D80-C84 VanDerWaalsContact N-SG 3.42Å; D80-C84 VanDerWaalsContact O-CB 3.25Å; D80-C84 WeakPolarHBondContact O-CB 3.28Å; D80-C84 PolarHBondContact O-N 2.92Å; D80-C84 PolarHBondContact O-SG 2.94Å; D80-C84 VanDerWaalsContact O-SG 3.38Å
85	K	94.1	Very high	93.9	Very high	137 Å²	137	76.5 Å²	76.5	60%	0.596	39%	0.387	S	S	*	.			trans	-51.5	127.8	-170.1	-163.5	174.3	176.9	171.1	0	112.6	E81	E81-K85 WeakPolarHBondContact O-CB 3.45Å; E81-K85 PolarHBondContact O-N 2.87Å
86	P	94.9	Very high	94.1	Very high	21 Å²	21	79.4 Å²	79.4	14%	0.136	40%	0.4	C	S	.	.			trans	-61.5	149.2	169.6	-22.2	32.6	0	0	0	112.5	I48 V69 S90 L123	I48-P86 HydrophobicContact CD1-CG 3.76Å; I48-P86 HydrophobicContact CG1-CG 4.35Å; V69-P86 HydrophobicContact CG1-CB 4.09Å; V69-P86 HydrophobicContact CG1-CG 3.62Å; V69-P86 HydrophobicContact CG2-CB 3.7Å; V69-P86 HydrophobicContact CG2-CG 4.13Å; P86-S90 WeakPolarHBondContact CA-OG 3.16Å; P86-L123 HydrophobicContact CB-CD2 4.25Å
87	T	94.4	Very high	94.5	Very high	79 Å²	79	75.4 Å²	75.4	49%	0.485	36%	0.358	S	S	.	.			trans	-109	172.4	172.9	73.3	0	0	0	0	110.4	R89 S90	T87-R89 PolarHBondContact O-N 2.86Å; T87-R89 VanDerWaalsContact O-N 3.11Å; T87-R89 PolarHBondContact OG1-N 2.75Å; T87-S90 PolarHBondContact N-OG 3.17Å; T87-S90 VanDerWaalsContact O-CB 3.28Å; T87-S90 WeakPolarHBondContact O-CB 3.49Å; T87-S90 PolarHBondContact O-N 2.76Å; T87-S90 PolarHBondContact O-OG 3.5Å
88	G	94.3	Very high	94.8	Very high	30 Å²	30	76 Å²	76	31%	0.309	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.4	173.8	0	0	0	0	0	113.6	T122 L123 S124	G88-T122 WeakPolarHBondContact O-CB 3.34Å; G88-L123 PolarHBondContact O-N 2.72Å; G88-S124 WeakPolarHBondContact O-CB 3.37Å; G88-S124 PolarHBondContact O-N 3.18Å; G88-S124 PolarHBondContact O-OG 3.39Å; G88-S124 VanDerWaalsContact O-OG 3.08Å
89	R	94.8	Very high	95.2	Very high	212 Å²	212	67.4 Å²	67.4	80%	0.8	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-1	178.2	-61.4	-173.7	-65.9	166.3	-1	113.9	T87 P91 T122	T87-R89 PolarHBondContact O-N 2.86Å; T87-R89 VanDerWaalsContact O-N 3.11Å; T87-R89 PolarHBondContact OG1-N 2.75Å; R89-P91 WeakPolarHBondContact O-CD 3.06Å; R89-T122 WeakPolarHBondContact O-CG2 3.29Å
90	S	96.3	Very high	95.5	Very high	12 Å²	12	65.5 Å²	65.5	8%	0.084	32%	0.316	C	S	.	.			trans	-64.6	128.5	177.8	-76.6	0	0	0	0	109.9	Q70 P86 T87 T122 L123	Q70-S90 WeakPolarHBondContact O-CB 3.37Å; Q70-S90 PolarHBondContact O-OG 3.27Å; P86-S90 WeakPolarHBondContact CA-OG 3.16Å; T87-S90 PolarHBondContact N-OG 3.17Å; T87-S90 VanDerWaalsContact O-CB 3.28Å; T87-S90 WeakPolarHBondContact O-CB 3.49Å; T87-S90 PolarHBondContact O-N 2.76Å; T87-S90 PolarHBondContact O-OG 3.5Å; S90-T122 CarbonylContact O-C 3.59Å; S90-T122 VanDerWaalsContact O-CA 3.27Å; S90-T122 WeakPolarHBondContact O-CA 3.03Å; S90-L123 PolarHBondContact O-N 2.63Å
91	P	97.3	Very high	95.7	Very high	20 Å²	20	66.1 Å²	66.1	13%	0.13	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-55.4	149.2	171.3	-26.8	35	0	0	0	112.2	Q70 R89 P117 E121	Q70-P91 HydrophobicContact CB-CB 4.36Å; Q70-P91 WeakPolarHBondContact CB-O 3.47Å; Q70-P91 PolarHBondContact N-O 3.19Å; R89-P91 WeakPolarHBondContact O-CD 3.06Å; P91-P117 HydrophobicContact CB-CB 3.71Å; P91-P117 HydrophobicContact CG-CB 4.37Å; P91-E121 CarbonylContact C-O 3.57Å; P91-E121 VanDerWaalsContact CA-O 3.3Å; P91-E121 WeakPolarHBondContact CA-O 3.45Å
92	V	97.5	Very high	95.9	Very high	7 Å²	7	65.2 Å²	65.2	4%	0.042	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.6	175.2	-62.1	0	0	0	0	110.6	I67 A68 V69 E121 L123 L126	I67-V92 HydrophobicContact CG2-CB 4.1Å; I67-V92 HydrophobicContact CG2-CG1 4.29Å; A68-V92 CarbonylContact O-C 3.55Å; A68-V92 VanDerWaalsContact O-CA 3.27Å; A68-V92 WeakPolarHBondContact O-CA 3.02Å; V69-V92 HydrophobicContact CB-CG1 4.22Å; V69-V92 HydrophobicContact CG2-CG1 4.02Å; V92-E121 HydrophobicContact CG2-CB 4.36Å; V92-E121 WeakPolarHBondContact CG2-O 3.33Å; V92-E121 PolarHBondContact N-O 2.81Å; V92-L123 HydrophobicContact CG1-CB 4.24Å; V92-L123 HydrophobicContact CG1-CD1 4.16Å; V92-L126 HydrophobicContact CB-CD1 4.28Å; V92-L126 HydrophobicContact CG1-CD1 3.88Å; V92-L126 HydrophobicContact CG2-CD1 4.09Å
93	L	97.6	Very high	95.9	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125	169.9	-61.2	177.8	0	0	0	108.6	I36 F47 A68 P114 P117	I36-L93 HydrophobicContact CG2-CD1 3.73Å; F47-L93 HydrophobicContact CD1-CD1 4.14Å; F47-L93 HydrophobicContact CD1-CG 4.26Å; F47-L93 HydrophobicContact CE1-CB 4.39Å; F47-L93 HydrophobicContact CE1-CD1 3.76Å; F47-L93 HydrophobicContact CE1-CG 3.62Å; F47-L93 HydrophobicContact CE2-CD1 4.21Å; F47-L93 HydrophobicContact CZ-CD1 3.79Å; F47-L93 HydrophobicContact CZ-CG 3.94Å; A68-L93 HydrophobicContact CB-CB 4.46Å; A68-L93 PolarHBondContact N-O 3.38Å; A68-L93 PolarHBondContact O-N 3.07Å; L93-P114 HydrophobicContact CD2-CG 4.37Å; L93-P114 WeakPolarHBondContact CD2-O 3.47Å; L93-P117 HydrophobicContact CD2-CB 4.33Å; L93-P117 HydrophobicContact CD2-CG 4.48Å
94	E	97.3	Very high	95.7	Very high	107 Å²	107	58.2 Å²	58.2	50%	0.5	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.3	176.4	-63.4	-167.7	-176.4	0	0	110.1	I67 P114	I67-E94 HydrophobicContact CD1-CG 4.47Å; I67-E94 HydrophobicContact CG1-CG 4.37Å; E94-P114 WeakPolarHBondContact O-CD 3.36Å
95	H	98.4	Very high	95.3	Very high	5 Å²	5	61.1 Å²	61.1	2%	0.023	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.5	-177	-78.7	-130.7	0	0	0	110.8	L66 S111 T112 P114	L66-H95 HydrophobicContact CB-CB 4.38Å; L66-H95 PolarHBondContact N-O 3.33Å; L66-H95 PolarHBondContact O-N 3Å; H95-S111 PolarHBondContact ND1-OG 2.74Å; H95-S111 VanDerWaalsContact ND1-OG 3.13Å; H95-T112 CarbonylContact C-O 3.56Å; H95-T112 WeakPolarHBondContact CA-O 3.42Å; H95-P114 PolarHBondContact NE2-O 3.07Å
96	K	98.5	Very high	95.2	Very high	113 Å²	113	59 Å²	59	49%	0.491	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.7	160.1	-171.2	169.7	-68.6	-63.2	0	108.9	D65 S111 T112	D65-K96 IonicContact OD1-NZ 3.73Å; D65-K96 PolarHBondContact OD1-NZ 3.47Å; K96-S111 CarbonylContact O-C 3.57Å; K96-S111 VanDerWaalsContact O-CA 3.28Å; K96-S111 WeakPolarHBondContact O-CA 3.34Å; K96-T112 PolarHBondContact N-O 2.88Å; K96-T112 PolarHBondContact O-N 3.32Å
97	V	98.6	Very high	95.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.4	179.9	-176.7	0	0	0	0	110	A32 T63 F64 L66 V109 A110	A32-V97 HydrophobicContact CB-CG1 4.15Å; A32-V97 HydrophobicContact CB-CG2 3.73Å; T63-V97 VanDerWaalsContact CA-O 3.26Å; T63-V97 WeakPolarHBondContact CA-O 2.92Å; F64-V97 HydrophobicContact CD1-CB 4.12Å; F64-V97 HydrophobicContact CD1-CG1 4.33Å; F64-V97 HydrophobicContact CD2-CB 4.01Å; F64-V97 HydrophobicContact CD2-CG2 4.21Å; F64-V97 HydrophobicContact CE1-CB 3.73Å; F64-V97 HydrophobicContact CE1-CG1 3.52Å; F64-V97 HydrophobicContact CE2-CB 3.63Å; F64-V97 HydrophobicContact CE2-CG1 4.03Å; F64-V97 HydrophobicContact CE2-CG2 3.64Å; F64-V97 HydrophobicContact CG-CB 4.25Å; F64-V97 HydrophobicContact CZ-CB 3.48Å; F64-V97 VanDerWaalsContact CZ-CB 3.48Å; F64-V97 HydrophobicContact CZ-CG1 3.35Å; F64-V97 HydrophobicContact CZ-CG2 3.86Å; F64-V97 PolarHBondContact N-O 3.39Å; F64-V97 VanDerWaalsContact N-O 3.1Å; F64-V97 PolarHBondContact O-N 3.37Å; L66-V97 HydrophobicContact CB-CG2 3.62Å; L66-V97 HydrophobicContact CD2-CG2 3.75Å; L66-V97 HydrophobicContact CG-CG2 4.34Å; V97-V109 HydrophobicContact CG1-CG1 3.72Å; V97-A110 WeakPolarHBondContact CA-O 3.34Å
98	V	98.2	Very high	95.4	Very high	51 Å²	51	60.1 Å²	60.1	31%	0.309	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	111.3	173.5	-176.3	0	0	0	0	108.5	A61 T63 A110	A61-V98 HydrophobicContact CB-CG1 4.09Å; T63-V98 HydrophobicContact CG2-CB 4.45Å; T63-V98 HydrophobicContact CG2-CG1 4.16Å; T63-V98 HydrophobicContact CG2-CG2 4.08Å; V98-A110 PolarHBondContact N-O 2.71Å; V98-A110 PolarHBondContact O-N 3.09Å
99	A	98	Very high	95.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	96.3	169.8	0	0	0	0	0	109.2	F28 A61 V62 Y107 S108 V109	F28-A99 HydrophobicContact CB-CB 4.23Å; F28-A99 HydrophobicContact CD1-CB 3.95Å; F28-A99 HydrophobicContact CD2-CB 3.38Å; F28-A99 HydrophobicContact CE1-CB 4.11Å; F28-A99 HydrophobicContact CE2-CB 3.54Å; F28-A99 HydrophobicContact CG-CB 3.59Å; F28-A99 HydrophobicContact CZ-CB 3.91Å; A61-A99 CarbonylContact C-O 3.55Å; A61-A99 WeakPolarHBondContact CA-O 3.26Å; A61-A99 WeakPolarHBondContact CB-O 3.39Å; V62-A99 HydrophobicContact CB-CB 4.35Å; V62-A99 PolarHBondContact N-O 3.42Å; V62-A99 PolarHBondContact O-N 3.22Å; A99-Y107 HydrophobicContact CB-CD1 4.14Å; A99-S108 CarbonylContact C-O 3.57Å; A99-S108 WeakPolarHBondContact CA-O 3.2Å; A99-V109 HydrophobicContact CB-CG2 4.07Å
100	S	97.4	Very high	95.7	Very high	41 Å²	41	53.5 Å²	53.5	29%	0.287	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	126.6	-178.9	-61.2	0	0	0	0	111.2	Y107 S108	S100-Y107 WeakPolarHBondContact O-CA 3.45Å; S100-S108 PolarHBondContact N-O 3.23Å; S100-S108 PolarHBondContact O-N 3.25Å
101	K	95.4	Very high	95.7	Very high	67 Å²	67	54.3 Å²	54.3	29%	0.291	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.2	171.8	-70.1	170.3	176.7	171.1	0	109.2	E57 N58 D59 K60 Y107	E57-K101 WeakPolarHBondContact OE1-CE 3.49Å; E57-K101 IonicContact OE1-NZ 3.39Å; E57-K101 PolarHBondContact OE1-NZ 2.97Å; N58-K101 PolarHBondContact O-NZ 2.97Å; D59-K101 WeakPolarHBondContact O-CD 3.45Å; K60-K101 WeakPolarHBondContact O-CB 3.39Å; K60-K101 PolarHBondContact O-N 3.27Å; K101-Y107 HydrophobicContact CB-CE1 4.36Å; K101-Y107 HydrophobicContact CD-CE1 4.24Å; K101-Y107 VanDerWaalsContact CE-OH 3.25Å; K101-Y107 WeakPolarHBondContact CE-OH 3.47Å; K101-Y107 HydrophobicContact CG-CD1 3.97Å; K101-Y107 HydrophobicContact CG-CE1 3.27Å
102	K	94.3	Very high	95.7	Very high	107 Å²	107	58.8 Å²	58.8	47%	0.465	36%	0.363	S	S	.	.			trans	-110.9	159.3	174.7	-60.9	-63.6	-175.6	178.9	0	109.9	G104 G105 V106	K102-G104 PolarHBondContact O-N 3.34Å; K102-G105 PolarHBondContact O-N 3.36Å; K102-V106 WeakPolarHBondContact CA-O 3.27Å; K102-V106 WeakPolarHBondContact CB-O 3.3Å; K102-V106 PolarHBondContact N-O 2.73Å
103	P	90.5	Very high	95.6	Very high	128 Å²	128	60 Å²	60	83%	0.831	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	140.4	171	-25.6	34.9	0	0	0	111.2
104	G	88.7	Confident	95.5	Very high	82 Å²	82	63.7 Å²	63.7	85%	0.845	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	9.9	-177	0	0	0	0	0	115.2	K102 V106	K102-G104 PolarHBondContact O-N 3.34Å; G104-V106 VanDerWaalsContact C-N 3.27Å; G104-V106 PolarHBondContact O-N 3.08Å
105	G	85.3	Confident	95.4	Very high	62 Å²	62	60.6 Å²	60.6	64%	0.639	39%	0.387	S	S	*	.	S	Bend	trans	78	8.9	174.7	0	0	0	0	0	114.8	K102	K102-G105 PolarHBondContact O-N 3.36Å
106	V	91.9	Very high	95.2	Very high	94 Å²	94	66.3 Å²	66.3	57%	0.57	42%	0.418	S	S	*	.			trans	-81.4	151.3	174.5	-176.7	0	0	0	0	109.8	K102 G104	K102-V106 WeakPolarHBondContact CA-O 3.27Å; K102-V106 WeakPolarHBondContact CB-O 3.3Å; K102-V106 PolarHBondContact N-O 2.73Å; G104-V106 VanDerWaalsContact C-N 3.27Å; G104-V106 PolarHBondContact O-N 3.08Å
107	Y	96	Very high	94.9	Very high	64 Å²	64	62.2 Å²	62.2	25%	0.251	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.7	175.1	-69.9	-100.3	0	0	0	111.2	L24 F28 V62 A99 S100 K101	L24-Y107 HydrophobicContact CD2-CE2 4.11Å; F28-Y107 HydrophobicContact CE1-CD1 4.09Å; F28-Y107 HydrophobicContact CE1-CD2 4.11Å; F28-Y107 AromaticContact CE1-CG 3.68Å; F28-Y107 HydrophobicContact CE1-CG 3.68Å; F28-Y107 HydrophobicContact CE2-CD1 4.06Å; F28-Y107 HydrophobicContact CE2-CE1 4.2Å; F28-Y107 HydrophobicContact CE2-CG 4.42Å; F28-Y107 AromaticContact CZ-CD1 3.41Å; F28-Y107 HydrophobicContact CZ-CD1 3.41Å; F28-Y107 VanDerWaalsContact CZ-CD1 3.41Å; F28-Y107 AromaticContact CZ-CD2 3.73Å; F28-Y107 HydrophobicContact CZ-CD2 3.73Å; F28-Y107 AromaticContact CZ-CE1 3.78Å; F28-Y107 HydrophobicContact CZ-CE1 3.78Å; F28-Y107 HydrophobicContact CZ-CE2 4.11Å; F28-Y107 AromaticContact CZ-CG 3.36Å; F28-Y107 HydrophobicContact CZ-CG 3.36Å; V62-Y107 HydrophobicContact CG2-CE1 4.37Å; A99-Y107 HydrophobicContact CB-CD1 4.14Å; S100-Y107 WeakPolarHBondContact O-CA 3.45Å; K101-Y107 HydrophobicContact CB-CE1 4.36Å; K101-Y107 HydrophobicContact CD-CE1 4.24Å; K101-Y107 VanDerWaalsContact CE-OH 3.25Å; K101-Y107 WeakPolarHBondContact CE-OH 3.47Å; K101-Y107 HydrophobicContact CG-CD1 3.97Å; K101-Y107 HydrophobicContact CG-CE1 3.27Å
108	S	96.6	Very high	94.6	Very high	58 Å²	58	65.9 Å²	65.9	41%	0.406	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.1	166.6	175.3	0	0	0	0	108.3	A99 S100	A99-S108 CarbonylContact C-O 3.57Å; A99-S108 WeakPolarHBondContact CA-O 3.2Å; S100-S108 PolarHBondContact N-O 3.23Å; S100-S108 PolarHBondContact O-N 3.25Å
109	V	97.9	Very high	94.1	Very high	45 Å²	45	67.7 Å²	67.7	27%	0.273	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.9	-175.7	-175.1	0	0	0	0	109.4	F28 A31 A32 V97 A99	F28-V109 HydrophobicContact CB-CG1 4.43Å; F28-V109 HydrophobicContact CB-CG2 4.18Å; F28-V109 HydrophobicContact CD1-CG2 3.55Å; F28-V109 HydrophobicContact CE1-CG2 4.27Å; F28-V109 HydrophobicContact CG-CG2 4.11Å; A31-V109 HydrophobicContact CB-CB 4.17Å; A31-V109 HydrophobicContact CB-CG1 4.21Å; A31-V109 HydrophobicContact CB-CG2 4.18Å; A32-V109 HydrophobicContact CB-CG1 4.38Å; V97-V109 HydrophobicContact CG1-CG1 3.72Å; A99-V109 HydrophobicContact CB-CG2 4.07Å
110	A	97.2	Very high	93.8	Very high	59 Å²	59	73.9 Å²	73.9	49%	0.488	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	153.9	169.8	0	0	0	0	0	109.4	V97 V98	V97-A110 WeakPolarHBondContact CA-O 3.34Å; V98-A110 PolarHBondContact N-O 2.71Å; V98-A110 PolarHBondContact O-N 3.09Å
111	S	97	Very high	93.7	Very high	29 Å²	29	75.5 Å²	75.5	20%	0.203	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	145.8	174.3	72.4	0	0	0	0	110.7	H95 K96	H95-S111 PolarHBondContact ND1-OG 2.74Å; H95-S111 VanDerWaalsContact ND1-OG 3.13Å; K96-S111 CarbonylContact O-C 3.57Å; K96-S111 VanDerWaalsContact O-CA 3.28Å; K96-S111 WeakPolarHBondContact O-CA 3.34Å
112	T	97.1	Very high	93.7	Very high	113 Å²	113	73 Å²	73	69%	0.693	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	129	177.1	-52.8	0	0	0	0	109.1	H95 K96	H95-T112 CarbonylContact C-O 3.56Å; H95-T112 WeakPolarHBondContact CA-O 3.42Å; K96-T112 PolarHBondContact N-O 2.88Å; K96-T112 PolarHBondContact O-N 3.32Å
113	G	96	Very high	93.7	Very high	34 Å²	34	68.5 Å²	68.5	35%	0.351	44%	0.44	S	S	.	.	S	Bend	trans	176.7	174.8	-176.8	0	0	0	0	0	109.9
114	P	95	Very high	94	Very high	78 Å²	78	65.4 Å²	65.4	51%	0.506	42%	0.422	S	S	.	.			trans	-63.5	140.5	171.5	28.7	-32.3	0	0	0	110.1	L93 E94 H95	L93-P114 HydrophobicContact CD2-CG 4.37Å; L93-P114 WeakPolarHBondContact CD2-O 3.47Å; E94-P114 WeakPolarHBondContact O-CD 3.36Å; H95-P114 PolarHBondContact NE2-O 3.07Å
115	M	95.7	Very high	94.2	Very high	43 Å²	43	66.8 Å²	66.8	21%	0.212	41%	0.405	C	S	.	.			trans	-97.2	-36.1	172.1	-71.4	-61.9	-169.3	0	0	112	I36 D39 D41 S42 P117	I36-M115 HydrophobicContact CG1-CE 4.43Å; I36-M115 HydrophobicContact CG1-SD 4.2Å; I36-M115 HydrophobicContact CG2-SD 4.44Å; D39-M115 HydrophobicContact CB-CE 4.23Å; D39-M115 HydrophobicContact CB-SD 4.13Å; D41-M115 HydrophobicContact CB-CB 3.88Å; S42-M115 WeakPolarHBondContact CA-O 3.42Å; S42-M115 WeakPolarHBondContact CB-O 3.16Å; M115-P117 VanDerWaalsContact O-CD 3.32Å; M115-P117 WeakPolarHBondContact O-CD 3.32Å
116	D	95	Very high	94.3	Very high	124 Å²	124	65.7 Å²	65.7	66%	0.663	38%	0.384	S	S	*	.	S	Bend	trans	-72.8	117.3	176.7	-173.4	12.4	0	0	0	110.9	D118	D116-D118 PolarHBondContact O-N 3.34Å
117	P	92.4	Very high	93.5	Very high	27 Å²	27	70.9 Å²	70.9	18%	0.175	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-72.2	119.9	-178.3	-14	29.6	0	0	0	112.5	F47 P91 L93 M115 S119	F47-P117 HydrophobicContact CE2-CG 4.19Å; F47-P117 HydrophobicContact CZ-CB 4.18Å; F47-P117 HydrophobicContact CZ-CG 3.75Å; P91-P117 HydrophobicContact CB-CB 3.71Å; P91-P117 HydrophobicContact CG-CB 4.37Å; L93-P117 HydrophobicContact CD2-CB 4.33Å; L93-P117 HydrophobicContact CD2-CG 4.48Å; M115-P117 VanDerWaalsContact O-CD 3.32Å; M115-P117 WeakPolarHBondContact O-CD 3.32Å; P117-S119 PolarHBondContact O-N 3.11Å
118	D	91.3	Very high	93.4	Very high	78 Å²	78	71.2 Å²	71.2	42%	0.417	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-77.7	121.6	171.7	-172.6	-17.9	0	0	0	110.7	D116 H120 E121	D116-D118 PolarHBondContact O-N 3.34Å; D118-H120 PolarHBondContact O-N 3.23Å; D118-H120 VanDerWaalsContact O-N 3.11Å; D118-H120 WeakPolarHBondContact OD1-CB 3.4Å; D118-H120 IonicContact OD1-CD2 3.82Å; D118-H120 PolarHBondContact OD1-CD2 2.97Å; D118-H120 IonicContact OD1-CG 2.73Å; D118-H120 PolarHBondContact OD1-N 2.9Å; D118-E121 HydrophobicContact CB-CB 4.17Å; D118-E121 HydrophobicContact CB-CG 4.16Å; D118-E121 PolarHBondContact O-N 2.83Å
119	S	88.1	Confident	93.2	Very high	89 Å²	89	71.9 Å²	71.9	62%	0.622	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.8	176.4	69.7	0	0	0	0	114.5	P117 T122	P117-S119 PolarHBondContact O-N 3.11Å; S119-T122 VanDerWaalsContact O-CG2 3.26Å; S119-T122 WeakPolarHBondContact O-CG2 3.36Å
120	H	91.4	Very high	93	Very high	129 Å²	129	73.4 Å²	73.4	60%	0.597	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-30.3	173.2	-65.4	-72.5	0	0	0	112	D118 T122 K125	D118-H120 PolarHBondContact O-N 3.23Å; D118-H120 VanDerWaalsContact O-N 3.11Å; D118-H120 WeakPolarHBondContact OD1-CB 3.4Å; D118-H120 IonicContact OD1-CD2 3.82Å; D118-H120 PolarHBondContact OD1-CD2 2.97Å; D118-H120 IonicContact OD1-CG 2.73Å; D118-H120 PolarHBondContact OD1-N 2.9Å; H120-T122 PolarHBondContact O-N 2.67Å; H120-K125 WeakPolarHBondContact O-CD 3.37Å; H120-K125 WeakPolarHBondContact O-CE 3.36Å; H120-K125 PolarHBondContact O-NZ 3.38Å
121	E	94.9	Very high	92.7	Very high	75 Å²	75	74.2 Å²	74.2	35%	0.35	41%	0.409	S	S	.	.	S	Bend	trans	-85.9	93.1	178.9	-66.1	-51.4	130.2	0	0	110.3	P91 V92 D118 K125	P91-E121 CarbonylContact C-O 3.57Å; P91-E121 VanDerWaalsContact CA-O 3.3Å; P91-E121 WeakPolarHBondContact CA-O 3.45Å; V92-E121 HydrophobicContact CG2-CB 4.36Å; V92-E121 WeakPolarHBondContact CG2-O 3.33Å; V92-E121 PolarHBondContact N-O 2.81Å; D118-E121 HydrophobicContact CB-CB 4.17Å; D118-E121 HydrophobicContact CB-CG 4.16Å; D118-E121 PolarHBondContact O-N 2.83Å; E121-K125 IonicContact OE1-NZ 2.9Å; E121-K125 PolarHBondContact OE1-NZ 3.17Å; E121-K125 IonicContact OE2-NZ 2.7Å
122	T	96.2	Very high	92.5	Very high	16 Å²	16	77.1 Å²	77.1	10%	0.098	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-123.8	160.4	-170.3	58.3	0	0	0	0	112.7	G88 R89 S90 S119 H120 S124 K125	G88-T122 WeakPolarHBondContact O-CB 3.34Å; R89-T122 WeakPolarHBondContact O-CG2 3.29Å; S90-T122 CarbonylContact O-C 3.59Å; S90-T122 VanDerWaalsContact O-CA 3.27Å; S90-T122 WeakPolarHBondContact O-CA 3.03Å; S119-T122 VanDerWaalsContact O-CG2 3.26Å; S119-T122 WeakPolarHBondContact O-CG2 3.36Å; H120-T122 PolarHBondContact O-N 2.67Å; T122-S124 PolarHBondContact O-N 3.23Å; T122-S124 PolarHBondContact OG1-OG 2.79Å; T122-K125 WeakPolarHBondContact O-CB 3.28Å; T122-K125 PolarHBondContact O-N 3.11Å
123	L	94.7	Very high	92.2	Very high	11 Å²	11	74.7 Å²	74.7	6%	0.058	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-53.3	-32.5	-178.7	-168.6	64.8	0	0	0	114	Y50 V69 P86 G88 S90 V92 K125 L126	Y50-L123 HydrophobicContact CD1-CD1 3.65Å; Y50-L123 HydrophobicContact CD2-CD1 3.82Å; Y50-L123 HydrophobicContact CE1-CD1 3.49Å; Y50-L123 VanDerWaalsContact CE1-CD1 3.49Å; Y50-L123 HydrophobicContact CE2-CD1 3.68Å; Y50-L123 HydrophobicContact CE2-CD2 4.4Å; Y50-L123 HydrophobicContact CE2-CG 4.49Å; Y50-L123 HydrophobicContact CG-CD1 3.81Å; Y50-L123 VanDerWaalsContact CZ-CD1 3.49Å; V69-L123 HydrophobicContact CB-CD1 4.38Å; V69-L123 HydrophobicContact CG2-CB 4.26Å; V69-L123 HydrophobicContact CG2-CD1 3.99Å; V69-L123 HydrophobicContact CG2-CD2 4.21Å; V69-L123 HydrophobicContact CG2-CG 4.39Å; P86-L123 HydrophobicContact CB-CD2 4.25Å; G88-L123 PolarHBondContact O-N 2.72Å; S90-L123 PolarHBondContact O-N 2.63Å; V92-L123 HydrophobicContact CG1-CB 4.24Å; V92-L123 HydrophobicContact CG1-CD1 4.16Å; L123-K125 VanDerWaalsContact C-N 3.3Å; L123-K125 PolarHBondContact O-N 3.46Å; L123-L126 HydrophobicContact CD1-CD1 4.33Å; L123-L126 PolarHBondContact O-N 3.15Å
124	S	94.9	Very high	91.9	Very high	63 Å²	63	77.6 Å²	77.6	44%	0.441	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-70.8	-21.6	178.6	55.8	0	0	0	0	114.1	G88 T122 L126	G88-S124 WeakPolarHBondContact O-CB 3.37Å; G88-S124 PolarHBondContact O-N 3.18Å; G88-S124 PolarHBondContact O-OG 3.39Å; G88-S124 VanDerWaalsContact O-OG 3.08Å; T122-S124 PolarHBondContact O-N 3.23Å; T122-S124 PolarHBondContact OG1-OG 2.79Å; S124-L126 PolarHBondContact O-N 2.91Å
125	K	93.7	Very high	91.6	Very high	112 Å²	112	77.5 Å²	77.5	49%	0.487	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-74	-17.8	174	-74.2	-176.5	166.6	175	0	113	H120 E121 T122 L123	H120-K125 WeakPolarHBondContact O-CD 3.37Å; H120-K125 WeakPolarHBondContact O-CE 3.36Å; H120-K125 PolarHBondContact O-NZ 3.38Å; E121-K125 IonicContact OE1-NZ 2.9Å; E121-K125 PolarHBondContact OE1-NZ 3.17Å; E121-K125 IonicContact OE2-NZ 2.7Å; T122-K125 WeakPolarHBondContact O-CB 3.28Å; T122-K125 PolarHBondContact O-N 3.11Å; L123-K125 VanDerWaalsContact C-N 3.3Å; L123-K125 PolarHBondContact O-N 3.46Å
126	L	87.5	Confident	91.3	Very high	39 Å²	39	80.4 Å²	80.4	20%	0.204	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-90.4	-3.9	-178.5	-60.2	178.3	0	0	0	114	Y50 I67 V92 L123 S124	Y50-L126 HydrophobicContact CD1-CD1 4.37Å; Y50-L126 HydrophobicContact CE1-CD1 4.36Å; I67-L126 HydrophobicContact CD1-CD1 3.67Å; I67-L126 HydrophobicContact CD1-CD2 3.97Å; I67-L126 HydrophobicContact CD1-CG 4.44Å; I67-L126 HydrophobicContact CG2-CD1 3.59Å; V92-L126 HydrophobicContact CB-CD1 4.28Å; V92-L126 HydrophobicContact CG1-CD1 3.88Å; V92-L126 HydrophobicContact CG2-CD1 4.09Å; L123-L126 HydrophobicContact CD1-CD1 4.33Å; L123-L126 PolarHBondContact O-N 3.15Å; S124-L126 PolarHBondContact O-N 2.91Å
127	K	75.7	Confident	91	Very high	202 Å²	202	76.5 Å²	76.5	88%	0.878	39%	0.393	S	S	*	.			trans	-100.9	0	-179.1	-69	-174.2	178.3	-175.8	0	110.3

Retrieved 127 of 127 residues in 124.7 ms (Link to these results)

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