A0A077ZLF4_TRITR Loading...

Cystatin type cysteine proteinase inhibitor

AlphaFold DB , UniProt , Accession A0A077ZLF4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 153 aa.

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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	51.4	Low	57.7	Low	245 Å²	245	144.3 Å²	144.3	100%	1.207	83%	0.833	S	S	*	*				0	109.2	0	-72.7	171.9	167.6	0	0	107
2	A	55	Low	57.1	Low	105 Å²	105	145 Å²	145	87%	0.868	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-81.5	124.4	-173.5	0	0	0	0	0	110.3
3	I	60.9	Low	57	Low	160 Å²	160	141.2 Å²	141.2	82%	0.821	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-85.4	120.1	173.3	-60.8	171.4	0	0	0	107.2	A5	I3-A5 PolarHBondContact O-N 3.44Å
4	P	60.7	Low	56.8	Low	114 Å²	114	140.1 Å²	140.1	74%	0.74	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-74.7	123.1	174.3	28.4	-29	0	0	0	109.6	L6	P4-L6 PolarHBondContact O-N 3.24Å
5	A	63.9	Low	56.6	Low	99 Å²	99	137.5 Å²	137.5	82%	0.818	82%	0.815	S	S	*	*			trans	-67.6	113.1	174.6	0	0	0	0	0	109.9	I3 L7	I3-A5 PolarHBondContact O-N 3.44Å; A5-L7 PolarHBondContact O-N 3.27Å
6	L	60.9	Low	56.5	Low	156 Å²	156	138.3 Å²	138.3	82%	0.817	81%	0.814	S	S	*	*			trans	-74.5	105.5	173.4	-154.4	81.3	0	0	0	108.5	P4 F8	P4-L6 PolarHBondContact O-N 3.24Å; L6-F8 PolarHBondContact O-N 3.26Å
7	L	56.2	Low	56.1	Low	155 Å²	155	134.8 Å²	134.8	81%	0.812	80%	0.804	S	S	*	*			trans	-77.4	103.2	177.5	-154.2	89.9	0	0	0	109.2	A5 M9	A5-L7 PolarHBondContact O-N 3.27Å; L7-M9 PolarHBondContact O-N 3.31Å
8	F	53.8	Low	55.9	Low	175 Å²	175	135.7 Å²	135.7	77%	0.768	80%	0.803	S	S	*	*			trans	-83.5	102.2	174	-131.7	-94	0	0	0	109	L6 V10	L6-F8 PolarHBondContact O-N 3.26Å; F8-V10 PolarHBondContact O-N 3.39Å
9	M	58.4	Low	55.8	Low	170 Å²	170	136.4 Å²	136.4	84%	0.837	80%	0.802	S	S	*	*			trans	-73.5	107.9	170.1	-82.7	-90.7	-141.3	0	0	109.2	L7	L7-M9 PolarHBondContact O-N 3.31Å
10	V	57.8	Low	55.9	Low	111 Å²	111	138.1 Å²	138.1	67%	0.673	81%	0.805	S	S	*	*			trans	-87	104.4	166.6	-179.5	0	0	0	0	107.7	F8 L12	F8-V10 PolarHBondContact O-N 3.39Å; V10-L12 HydrophobicContact CG1-CD1 4.2Å; V10-L12 PolarHBondContact O-N 3.14Å
11	A	55.8	Low	56.6	Low	97 Å²	97	133 Å²	133	80%	0.802	78%	0.782	S	S	*	*			trans	-79.3	108.7	168.4	0	0	0	0	0	109.1	A13	A11-A13 PolarHBondContact O-N 3.26Å
12	L	50.2	Low	58.1	Low	153 Å²	153	122.7 Å²	122.7	80%	0.801	74%	0.739	S	S	*	*			trans	-73.8	105.6	164.9	-88.4	88.1	0	0	0	108.8	V10 V14	V10-L12 HydrophobicContact CG1-CD1 4.2Å; V10-L12 PolarHBondContact O-N 3.14Å; L12-V14 PolarHBondContact O-N 3.48Å
13	A	55.6	Low	59.8	Low	96 Å²	96	121.7 Å²	121.7	79%	0.793	72%	0.723	S	S	*	*			trans	-77.9	113.8	161	0	0	0	0	0	108.4	A11 S15	A11-A13 PolarHBondContact O-N 3.26Å; A13-S15 PolarHBondContact O-N 3.41Å; A13-S15 VanDerWaalsContact O-N 3.14Å
14	V	54.4	Low	61.2	Low	125 Å²	125	117 Å²	117	76%	0.758	70%	0.704	S	S	*	*			trans	-76.6	97.8	170.7	-164.8	0	0	0	0	107.1	L12 N16	L12-V14 PolarHBondContact O-N 3.48Å; V14-N16 PolarHBondContact O-N 3.35Å
15	S	54.5	Low	62.7	Low	102 Å²	102	117.8 Å²	117.8	71%	0.713	71%	0.707	S	S	*	*			trans	-71.7	116.5	165.8	61.7	0	0	0	0	107.6	A13 A17	A13-S15 PolarHBondContact O-N 3.41Å; A13-S15 VanDerWaalsContact O-N 3.14Å; S15-A17 VanDerWaalsContact C-N 3.3Å; S15-A17 PolarHBondContact O-N 3.06Å
16	N	54.6	Low	64	Low	149 Å²	149	115.2 Å²	115.2	80%	0.797	68%	0.679	S	S	*	*			trans	-61	100.2	163.4	-66.1	-22.3	0	0	0	106.6	V14 I18	V14-N16 PolarHBondContact O-N 3.35Å; N16-I18 PolarHBondContact O-N 2.86Å
17	A	50.5	Low	65.6	Low	79 Å²	79	112 Å²	112	65%	0.653	66%	0.663	S	S	*	*			trans	-54.1	119.2	169.1	0	0	0	0	0	106.6	S15 L19	S15-A17 VanDerWaalsContact C-N 3.3Å; S15-A17 PolarHBondContact O-N 3.06Å; A17-L19 VanDerWaalsContact C-N 3.27Å; A17-L19 PolarHBondContact O-N 2.77Å
18	I	51.3	Low	67.4	Low	152 Å²	152	106.5 Å²	106.5	78%	0.779	64%	0.636	S	S	*	*			trans	-59	101.9	166.8	-62.1	167.6	0	0	0	104.3	N16 I20	N16-I18 PolarHBondContact O-N 2.86Å; I18-I20 WeakPolarHBondContact O-CG1 3.21Å; I18-I20 PolarHBondContact O-N 3.09Å
19	L	53.6	Low	69.3	Low	148 Å²	148	102.6 Å²	102.6	78%	0.775	63%	0.627	S	S	*	*			trans	-65.3	91.2	172.4	-98.5	148.6	0	0	0	106.4	A17 G21 G22	A17-L19 VanDerWaalsContact C-N 3.27Å; A17-L19 PolarHBondContact O-N 2.77Å; L19-G21 PolarHBondContact O-N 2.83Å; L19-G22 PolarHBondContact O-N 2.82Å; L19-G22 VanDerWaalsContact O-N 3.09Å
20	I	57.7	Low	70.9	Confident	171 Å²	171	95.8 Å²	95.8	88%	0.877	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	79.6	175.5	-28.1	175.5	0	0	0	106.4	I18	I18-I20 WeakPolarHBondContact O-CG1 3.21Å; I18-I20 PolarHBondContact O-N 3.09Å
21	G	71.7	Confident	72.7	Confident	30 Å²	30	95.4 Å²	95.4	31%	0.309	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	142.7	-3.9	-174	0	0	0	0	0	116.1	L19 Q65	L19-G21 PolarHBondContact O-N 2.83Å; G21-Q65 WeakPolarHBondContact O-CG 3.31Å; G21-Q65 PolarHBondContact O-NE2 2.94Å; G21-Q65 VanDerWaalsContact O-NE2 3.1Å
22	G	83.1	Confident	74.5	Confident	29 Å²	29	93.9 Å²	93.9	30%	0.299	58%	0.575	S	S	.	*	S	Bend	trans	-68.9	154.8	170.4	0	0	0	0	0	112.1	L19 S24	L19-G22 PolarHBondContact O-N 2.82Å; L19-G22 VanDerWaalsContact O-N 3.09Å; G22-S24 PolarHBondContact O-N 2.88Å
23	P	89.3	Confident	76.6	Confident	84 Å²	84	86.6 Å²	86.6	55%	0.545	54%	0.537	S	S	.	.			trans	-54.6	131.2	168.3	-23.3	33.4	0	0	0	110.6	S64 Q65	P23-S64 CarbonylContact C-O 3.57Å; P23-S64 WeakPolarHBondContact CA-O 3.48Å; P23-Q65 HydrophobicContact CG-CB 4.38Å; P23-Q65 HydrophobicContact CG-CG 4.3Å
24	S	90.7	Very high	78.4	Confident	61 Å²	61	86.5 Å²	86.5	43%	0.427	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.9	177.9	58.1	0	0	0	0	109.4	G22 T63 S64	G22-S24 PolarHBondContact O-N 2.88Å; S24-T63 CarbonylContact O-C 3.51Å; S24-T63 VanDerWaalsContact O-CA 3.25Å; S24-T63 WeakPolarHBondContact O-CA 3.44Å; S24-S64 PolarHBondContact N-O 3.45Å; S24-S64 PolarHBondContact O-N 2.86Å; S24-S64 PolarHBondContact OG-O 3.1Å; S24-S64 VanDerWaalsContact OG-O 3.09Å; S24-S64 PolarHBondContact OG-OG 2.8Å; S24-S64 VanDerWaalsContact OG-OG 3.1Å
25	T	93.1	Very high	80.4	Confident	131 Å²	131	85.8 Å²	85.8	80%	0.804	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	136.8	177.7	50.3	0	0	0	0	110.2
26	M	91.6	Very high	82.3	Confident	46 Å²	46	82.9 Å²	82.9	23%	0.227	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.6	175.6	171.5	175.2	-75.8	0	0	108.9	P28 A33 V62 Y72	M26-P28 WeakPolarHBondContact O-CD 3.21Å; M26-A33 HydrophobicContact SD-CB 4.41Å; M26-V62 HydrophobicContact CB-CB 4.04Å; M26-V62 HydrophobicContact CB-CG1 3.89Å; M26-V62 HydrophobicContact CG-CB 4.41Å; M26-V62 HydrophobicContact CG-CG1 4.17Å; M26-V62 PolarHBondContact N-O 3.1Å; M26-V62 HydrophobicContact SD-CG1 3.91Å; M26-Y72 HydrophobicContact CE-CE1 3.77Å; M26-Y72 HydrophobicContact SD-CD1 4.49Å; M26-Y72 HydrophobicContact SD-CE1 4.17Å
27	D	93.9	Very high	84.2	Confident	89 Å²	89	75.8 Å²	75.8	48%	0.476	45%	0.448	S	S	.	.			trans	-59.6	115.2	174.4	176.2	6.2	0	0	0	110.7	T29 S30	D27-T29 VanDerWaalsContact CG-OG1 3.27Å; D27-T29 PolarHBondContact O-N 2.81Å; D27-T29 VanDerWaalsContact O-N 3.13Å; D27-T29 WeakPolarHBondContact OD1-CB 3.25Å; D27-T29 PolarHBondContact OD1-N 3.09Å; D27-T29 PolarHBondContact OD1-OG1 3.33Å; D27-T29 PolarHBondContact OD2-OG1 2.87Å; D27-T29 VanDerWaalsContact OD2-OG1 3.04Å; D27-S30 WeakPolarHBondContact O-CB 3.41Å; D27-S30 PolarHBondContact O-N 2.89Å; D27-S30 VanDerWaalsContact O-N 3.15Å; D27-S30 PolarHBondContact O-OG 3.41Å
28	P	94.2	Very high	86.2	Confident	38 Å²	38	77.1 Å²	77.1	25%	0.247	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.2	179	-22.7	34.9	0	0	0	113.9	M26 I59	M26-P28 WeakPolarHBondContact O-CD 3.21Å; P28-I59 HydrophobicContact CB-CB 4.08Å; P28-I59 HydrophobicContact CB-CG2 3.86Å
29	T	93	Very high	88.1	Confident	93 Å²	93	76.4 Å²	76.4	57%	0.571	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-8.4	-178.5	74.1	0	0	0	0	113.4	D27 K34	D27-T29 VanDerWaalsContact CG-OG1 3.27Å; D27-T29 PolarHBondContact O-N 2.81Å; D27-T29 VanDerWaalsContact O-N 3.13Å; D27-T29 WeakPolarHBondContact OD1-CB 3.25Å; D27-T29 PolarHBondContact OD1-N 3.09Å; D27-T29 PolarHBondContact OD1-OG1 3.33Å; D27-T29 PolarHBondContact OD2-OG1 2.87Å; D27-T29 VanDerWaalsContact OD2-OG1 3.04Å; T29-K34 VanDerWaalsContact O-CE 3.25Å; T29-K34 WeakPolarHBondContact O-CE 3.41Å; T29-K34 PolarHBondContact O-NZ 2.79Å
30	S	93.3	Very high	90	Very high	28 Å²	28	71.2 Å²	71.2	20%	0.196	41%	0.411	C	S	.	.	S	Bend	trans	-59.9	148.6	178.8	67.7	0	0	0	0	112.2	D27 T32 A33 K34	D27-S30 WeakPolarHBondContact O-CB 3.41Å; D27-S30 PolarHBondContact O-N 2.89Å; D27-S30 VanDerWaalsContact O-N 3.15Å; D27-S30 PolarHBondContact O-OG 3.41Å; S30-T32 VanDerWaalsContact C-N 3.28Å; S30-T32 PolarHBondContact O-N 3.22Å; S30-A33 PolarHBondContact O-N 3.39Å; S30-A33 VanDerWaalsContact OG-CB 3.23Å; S30-A33 WeakPolarHBondContact OG-CB 3.39Å; S30-A33 PolarHBondContact OG-N 2.78Å; S30-K34 WeakPolarHBondContact O-CG 3.19Å; S30-K34 PolarHBondContact O-N 3.44Å; S30-K34 VanDerWaalsContact O-N 3.08Å
31	T	94.9	Very high	91.6	Very high	102 Å²	102	63.6 Å²	63.6	63%	0.626	37%	0.372	S	S	*	.	H	α-helix	trans	-58.6	-42.3	176.7	50.2	0	0	0	0	111.2	A33 K34 D35	T31-A33 PolarHBondContact O-N 2.88Å; T31-K34 WeakPolarHBondContact O-CB 3.23Å; T31-K34 PolarHBondContact O-N 2.83Å; T31-K34 VanDerWaalsContact O-N 3.14Å; T31-D35 VanDerWaalsContact O-CG 3.29Å; T31-D35 PolarHBondContact O-N 3.22Å
32	T	93	Very high	92.4	Very high	65 Å²	65	64.8 Å²	64.8	40%	0.399	38%	0.379	S	S	.	.	H	α-helix	trans	-57.7	-45.8	175.8	-51.4	0	0	0	0	112.2	S30 K34 D35 I36	S30-T32 VanDerWaalsContact C-N 3.28Å; S30-T32 PolarHBondContact O-N 3.22Å; T32-K34 VanDerWaalsContact C-N 3.33Å; T32-K34 PolarHBondContact O-N 3.46Å; T32-D35 PolarHBondContact O-N 3.42Å; T32-I36 HydrophobicContact CG2-CD1 3.78Å; T32-I36 WeakPolarHBondContact O-CD1 3.42Å; T32-I36 WeakPolarHBondContact O-CG1 3.33Å; T32-I36 PolarHBondContact O-N 3.06Å
33	A	94.5	Very high	92.8	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-61.4	-42.3	176.3	0	0	0	0	0	111.7	M26 S30 T31 A37 I59 V62	M26-A33 HydrophobicContact SD-CB 4.41Å; S30-A33 PolarHBondContact O-N 3.39Å; S30-A33 VanDerWaalsContact OG-CB 3.23Å; S30-A33 WeakPolarHBondContact OG-CB 3.39Å; S30-A33 PolarHBondContact OG-N 2.78Å; T31-A33 PolarHBondContact O-N 2.88Å; A33-A37 VanDerWaalsContact O-CB 3.27Å; A33-A37 WeakPolarHBondContact O-CB 3.29Å; A33-A37 PolarHBondContact O-N 2.84Å; A33-I59 HydrophobicContact CB-CD1 4.09Å; A33-I59 WeakPolarHBondContact O-CD1 3.22Å; A33-V62 HydrophobicContact CB-CG2 4.07Å
34	K	94.5	Very high	92.9	Very high	95 Å²	95	68.3 Å²	68.3	41%	0.413	38%	0.377	S	S	.	.	H	α-helix	trans	-62.3	-48.2	176.8	-69	174.3	-178.2	169.4	0	111.9	T29 S30 T31 T32 I36 A37 H38 I59	T29-K34 VanDerWaalsContact O-CE 3.25Å; T29-K34 WeakPolarHBondContact O-CE 3.41Å; T29-K34 PolarHBondContact O-NZ 2.79Å; S30-K34 WeakPolarHBondContact O-CG 3.19Å; S30-K34 PolarHBondContact O-N 3.44Å; S30-K34 VanDerWaalsContact O-N 3.08Å; T31-K34 WeakPolarHBondContact O-CB 3.23Å; T31-K34 PolarHBondContact O-N 2.83Å; T31-K34 VanDerWaalsContact O-N 3.14Å; T32-K34 VanDerWaalsContact C-N 3.33Å; T32-K34 PolarHBondContact O-N 3.46Å; K34-I36 PolarHBondContact O-N 3.15Å; K34-A37 PolarHBondContact O-N 3.14Å; K34-H38 WeakPolarHBondContact O-CB 3.25Å; K34-H38 PolarHBondContact O-CD2 2.86Å; K34-H38 PolarHBondContact O-N 3.08Å; K34-I59 HydrophobicContact CG-CD1 4.22Å
35	D	94.6	Very high	92.7	Very high	109 Å²	109	66.5 Å²	66.5	58%	0.583	36%	0.363	S	S	*	.	H	α-helix	trans	-62.2	-43.1	-178.7	-67.2	-18.6	0	0	0	111.6	T31 T32 H38 K39	T31-D35 VanDerWaalsContact O-CG 3.29Å; T31-D35 PolarHBondContact O-N 3.22Å; T32-D35 PolarHBondContact O-N 3.42Å; D35-H38 PolarHBondContact O-N 3.36Å; D35-K39 WeakPolarHBondContact O-CB 3.43Å; D35-K39 PolarHBondContact O-N 3.34Å
36	I	94.5	Very high	92.4	Very high	41 Å²	41	64.4 Å²	64.4	21%	0.21	36%	0.359	C	S	.	.	H	α-helix	trans	-65.7	-44.2	176.8	-63.6	165.2	0	0	0	110.5	T32 K34 K39 A40 Y72 M74	T32-I36 HydrophobicContact CG2-CD1 3.78Å; T32-I36 WeakPolarHBondContact O-CD1 3.42Å; T32-I36 WeakPolarHBondContact O-CG1 3.33Å; T32-I36 PolarHBondContact O-N 3.06Å; K34-I36 PolarHBondContact O-N 3.15Å; I36-K39 PolarHBondContact O-N 3.04Å; I36-A40 VanDerWaalsContact O-CB 3.29Å; I36-A40 WeakPolarHBondContact O-CB 3.44Å; I36-A40 PolarHBondContact O-N 2.78Å; I36-Y72 HydrophobicContact CD1-CD1 3.8Å; I36-Y72 HydrophobicContact CD1-CD2 3.78Å; I36-Y72 HydrophobicContact CD1-CE1 3.61Å; I36-Y72 HydrophobicContact CD1-CE2 3.59Å; I36-Y72 HydrophobicContact CD1-CG 3.87Å; I36-Y72 VanDerWaalsContact CD1-CZ 3.49Å; I36-Y72 HydrophobicContact CG2-CD2 4.49Å; I36-Y72 HydrophobicContact CG2-CG 4.45Å; I36-M74 HydrophobicContact CB-SD 4.26Å; I36-M74 HydrophobicContact CG2-CE 3.82Å; I36-M74 HydrophobicContact CG2-SD 3.73Å
37	A	94.5	Very high	92.2	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-62.5	-43.8	177.7	0	0	0	0	0	112	A33 K34 A40 L41 L56 I59 M74 I76	A33-A37 VanDerWaalsContact O-CB 3.27Å; A33-A37 WeakPolarHBondContact O-CB 3.29Å; A33-A37 PolarHBondContact O-N 2.84Å; K34-A37 PolarHBondContact O-N 3.14Å; A37-A40 PolarHBondContact O-N 3.26Å; A37-L41 VanDerWaalsContact O-CB 3.25Å; A37-L41 WeakPolarHBondContact O-CB 3.47Å; A37-L41 PolarHBondContact O-N 2.94Å; A37-L56 HydrophobicContact CB-CD1 4.32Å; A37-L56 HydrophobicContact CB-CD2 3.71Å; A37-I59 HydrophobicContact CB-CD1 3.62Å; A37-I59 HydrophobicContact CB-CG1 4.01Å; A37-M74 HydrophobicContact CB-CE 4.35Å; A37-M74 HydrophobicContact CB-SD 4.17Å; A37-I76 HydrophobicContact CB-CG2 4.45Å
38	H	92.2	Very high	91.8	Very high	107 Å²	107	67.8 Å²	67.8	50%	0.495	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-44.2	176.1	-76.4	-57.6	0	0	0	112	K34 D35 L41 A42	K34-H38 WeakPolarHBondContact O-CB 3.25Å; K34-H38 PolarHBondContact O-CD2 2.86Å; K34-H38 PolarHBondContact O-N 3.08Å; D35-H38 PolarHBondContact O-N 3.36Å; H38-L41 PolarHBondContact O-N 2.87Å; H38-A42 WeakPolarHBondContact O-CB 3.46Å; H38-A42 PolarHBondContact O-N 3.13Å
39	K	93.2	Very high	91.3	Very high	137 Å²	137	73.9 Å²	73.9	60%	0.596	40%	0.404	S	S	*	.	H	α-helix	trans	-63.8	-47	176.8	-175.2	174.9	176.1	64.6	0	111.9	D35 I36 L41 A42 D43	D35-K39 WeakPolarHBondContact O-CB 3.43Å; D35-K39 PolarHBondContact O-N 3.34Å; I36-K39 PolarHBondContact O-N 3.04Å; K39-L41 VanDerWaalsContact C-N 3.3Å; K39-L41 PolarHBondContact O-N 2.97Å; K39-A42 PolarHBondContact O-N 3.48Å; K39-D43 PolarHBondContact O-N 2.86Å
40	A	93.1	Very high	90.7	Very high	40 Å²	40	73.7 Å²	73.7	33%	0.331	40%	0.399	S	S	.	.	H	α-helix	trans	-61.7	-39.5	178.8	0	0	0	0	0	111.9	I36 A37 D43 R44 M74	I36-A40 VanDerWaalsContact O-CB 3.29Å; I36-A40 WeakPolarHBondContact O-CB 3.44Å; I36-A40 PolarHBondContact O-N 2.78Å; A37-A40 PolarHBondContact O-N 3.26Å; A40-D43 PolarHBondContact O-N 2.93Å; A40-R44 WeakPolarHBondContact O-CB 3.38Å; A40-R44 PolarHBondContact O-N 3.32Å; A40-M74 HydrophobicContact CB-CE 3.88Å
41	L	91.2	Very high	89.7	Confident	10 Å²	10	78.6 Å²	78.6	5%	0.052	42%	0.422	C	S	.	.	H	α-helix	trans	-69.8	-41.5	177.9	-171.2	59.6	0	0	0	112.2	A37 H38 K39 R44 N45 D54 L56 V78	A37-L41 VanDerWaalsContact O-CB 3.25Å; A37-L41 WeakPolarHBondContact O-CB 3.47Å; A37-L41 PolarHBondContact O-N 2.94Å; H38-L41 PolarHBondContact O-N 2.87Å; K39-L41 VanDerWaalsContact C-N 3.3Å; K39-L41 PolarHBondContact O-N 2.97Å; L41-R44 PolarHBondContact O-N 3.01Å; L41-N45 WeakPolarHBondContact O-CB 3.45Å; L41-N45 VanDerWaalsContact O-CG 3.29Å; L41-N45 PolarHBondContact O-N 2.93Å; L41-N45 PolarHBondContact O-ND2 3.33Å; L41-D54 HydrophobicContact CD1-CB 3.72Å; L41-D54 WeakPolarHBondContact CD2-O 3.48Å; L41-L56 HydrophobicContact CD2-CB 3.73Å; L41-V78 HydrophobicContact CD1-CG1 3.91Å; L41-V78 HydrophobicContact CD2-CG1 4.39Å
42	A	89	Confident	88.9	Confident	55 Å²	55	78.2 Å²	78.2	46%	0.455	41%	0.41	S	S	.	.	H	α-helix	trans	-59.7	-45.7	173.4	0	0	0	0	0	111.4	H38 K39 R44 N45 A46	H38-A42 WeakPolarHBondContact O-CB 3.46Å; H38-A42 PolarHBondContact O-N 3.13Å; K39-A42 PolarHBondContact O-N 3.48Å; A42-R44 VanDerWaalsContact C-N 3.35Å; A42-R44 PolarHBondContact O-N 2.81Å; A42-N45 PolarHBondContact O-N 3.44Å; A42-A46 WeakPolarHBondContact O-CB 3.45Å; A42-A46 PolarHBondContact O-N 2.89Å
43	D	91.3	Very high	88.3	Confident	74 Å²	74	78.7 Å²	78.7	40%	0.396	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-39.5	177.2	-73.3	-10.8	0	0	0	111.9	K39 A40 K47	K39-D43 PolarHBondContact O-N 2.86Å; A40-D43 PolarHBondContact O-N 2.93Å; D43-K47 WeakPolarHBondContact O-CD 3.49Å; D43-K47 VanDerWaalsContact O-CG 3.27Å; D43-K47 WeakPolarHBondContact O-CG 3.35Å; D43-K47 PolarHBondContact O-N 2.87Å
44	R	90	Very high	87.9	Confident	113 Å²	113	79 Å²	79	43%	0.426	41%	0.409	S	S	.	.	H	α-helix	trans	-65.8	-46.6	175.8	178.7	173.4	165.5	-81.4	8.3	111.4	A40 L41 A42 A46 K47 S48 D54	A40-R44 WeakPolarHBondContact O-CB 3.38Å; A40-R44 PolarHBondContact O-N 3.32Å; L41-R44 PolarHBondContact O-N 3.01Å; A42-R44 VanDerWaalsContact C-N 3.35Å; A42-R44 PolarHBondContact O-N 2.81Å; R44-A46 VanDerWaalsContact C-N 3.32Å; R44-A46 PolarHBondContact O-N 3.35Å; R44-K47 CarbonylContact O-C 3.59Å; R44-K47 PolarHBondContact O-N 3.5Å; R44-K47 VanDerWaalsContact O-N 3.17Å; R44-S48 WeakPolarHBondContact O-CB 3.27Å; R44-S48 PolarHBondContact O-N 3.46Å; R44-D54 IonicContact CZ-OD2 3.42Å; R44-D54 IonicContact NH1-OD2 2.56Å; R44-D54 PolarHBondContact NH1-OD2 3.41Å; R44-D54 IonicContact NH2-OD2 3.82Å; R44-D54 PolarHBondContact NH2-OD2 3.25Å
45	N	86.7	Confident	87.5	Confident	23 Å²	23	76.5 Å²	76.5	12%	0.123	40%	0.402	C	S	.	.	H	α-helix	trans	-62	-39.7	178.5	-78.4	-15.5	0	0	0	112	L41 A42 K47 S48 H53 D54	L41-N45 WeakPolarHBondContact O-CB 3.45Å; L41-N45 VanDerWaalsContact O-CG 3.29Å; L41-N45 PolarHBondContact O-N 2.93Å; L41-N45 PolarHBondContact O-ND2 3.33Å; A42-N45 PolarHBondContact O-N 3.44Å; N45-K47 VanDerWaalsContact C-N 3.25Å; N45-K47 PolarHBondContact O-N 2.92Å; N45-S48 PolarHBondContact O-N 3.47Å; N45-H53 WeakPolarHBondContact CB-ND1 3.41Å; N45-D54 PolarHBondContact ND2-O 2.92Å; N45-D54 PolarHBondContact OD1-N 3.44Å
46	A	86.4	Confident	87.3	Confident	88 Å²	88	72.9 Å²	72.9	73%	0.727	38%	0.382	S	S	*	.	H	α-helix	trans	-67.5	-25	176.8	0	0	0	0	0	113.5	A42 R44	A42-A46 WeakPolarHBondContact O-CB 3.45Å; A42-A46 PolarHBondContact O-N 2.89Å; R44-A46 VanDerWaalsContact C-N 3.32Å; R44-A46 PolarHBondContact O-N 3.35Å
47	K	89	Confident	87.1	Confident	169 Å²	169	75.7 Å²	75.7	74%	0.735	40%	0.397	S	S	*	.	H	α-helix	trans	-96.4	-13.6	178.6	-68.7	171.8	-173.8	172	0	113.3	D43 R44 N45	D43-K47 WeakPolarHBondContact O-CD 3.49Å; D43-K47 VanDerWaalsContact O-CG 3.27Å; D43-K47 WeakPolarHBondContact O-CG 3.35Å; D43-K47 PolarHBondContact O-N 2.87Å; R44-K47 CarbonylContact O-C 3.59Å; R44-K47 PolarHBondContact O-N 3.5Å; R44-K47 VanDerWaalsContact O-N 3.17Å; N45-K47 VanDerWaalsContact C-N 3.25Å; N45-K47 PolarHBondContact O-N 2.92Å
48	S	85.6	Confident	87	Confident	36 Å²	36	81.3 Å²	81.3	25%	0.252	42%	0.421	S	S	.	.			trans	-78.3	145.7	-179.2	-169.1	0	0	0	0	110.7	R44 N45 D50	R44-S48 WeakPolarHBondContact O-CB 3.27Å; R44-S48 PolarHBondContact O-N 3.46Å; N45-S48 PolarHBondContact O-N 3.47Å; S48-D50 VanDerWaalsContact C-N 3.32Å; S48-D50 VanDerWaalsContact OG-CB 3.31Å; S48-D50 WeakPolarHBondContact OG-CB 3.34Å; S48-D50 PolarHBondContact OG-N 3.31Å; S48-D50 PolarHBondContact OG-OD2 2.95Å
49	N	82.5	Confident	87.2	Confident	167 Å²	167	76.9 Å²	76.9	89%	0.893	40%	0.401	S	S	*	.			trans	-94.7	7.3	166.8	-66	-32.2	0	0	0	111.6
50	D	81.4	Confident	87.3	Confident	88 Å²	88	72.3 Å²	72.3	47%	0.471	39%	0.385	S	S	.	.			trans	-65	142.3	178.4	-64.8	-37.5	0	0	0	110.5	S48 Y52	S48-D50 VanDerWaalsContact C-N 3.32Å; S48-D50 VanDerWaalsContact OG-CB 3.31Å; S48-D50 WeakPolarHBondContact OG-CB 3.34Å; S48-D50 PolarHBondContact OG-N 3.31Å; S48-D50 PolarHBondContact OG-OD2 2.95Å; D50-Y52 PolarHBondContact O-N 3.38Å
51	L	71.9	Confident	87.4	Confident	131 Å²	131	75.8 Å²	75.8	69%	0.686	39%	0.394	S	S	*	.	S	Bend	trans	-64.9	-22.7	176.4	-175.2	62	0	0	0	112.5
52	Y	77.8	Confident	87.7	Confident	95 Å²	95	75.5 Å²	75.5	37%	0.373	39%	0.393	S	S	.	.	S	Bend	trans	-116.9	133.7	-174.1	-55.4	-88.5	0	0	0	110.3	D50 V126	D50-Y52 PolarHBondContact O-N 3.38Å; Y52-V126 HydrophobicContact CD1-CB 3.58Å; Y52-V126 HydrophobicContact CD1-CG1 3.53Å; Y52-V126 HydrophobicContact CE1-CB 3.81Å; Y52-V126 HydrophobicContact CE1-CG1 3.23Å
53	H	80	Confident	87.9	Confident	75 Å²	75	74.8 Å²	74.8	35%	0.347	38%	0.383	S	S	.	.			trans	-78.8	137.6	169.7	-72	-45.3	0	0	0	110.9	N45 G81	N45-H53 WeakPolarHBondContact CB-ND1 3.41Å; H53-G81 PolarHBondContact O-N 2.91Å
54	D	86.6	Confident	88	Confident	6 Å²	6	72.2 Å²	72.2	3%	0.032	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138.2	172.1	-82.8	-23.3	0	0	0	110.5	L41 R44 N45 V78 L79 L80	L41-D54 HydrophobicContact CD1-CB 3.72Å; L41-D54 WeakPolarHBondContact CD2-O 3.48Å; R44-D54 IonicContact CZ-OD2 3.42Å; R44-D54 IonicContact NH1-OD2 2.56Å; R44-D54 PolarHBondContact NH1-OD2 3.41Å; R44-D54 IonicContact NH2-OD2 3.82Å; R44-D54 PolarHBondContact NH2-OD2 3.25Å; N45-D54 PolarHBondContact ND2-O 2.92Å; N45-D54 PolarHBondContact OD1-N 3.44Å; D54-V78 HydrophobicContact CB-CB 3.91Å; D54-V78 HydrophobicContact CB-CG1 4.26Å; D54-V78 HydrophobicContact CB-CG2 4.13Å; D54-L79 WeakPolarHBondContact CA-O 3.2Å; D54-L80 WeakPolarHBondContact OD1-CA 3.44Å; D54-L80 WeakPolarHBondContact OD1-CD2 3.25Å; D54-L80 WeakPolarHBondContact OD1-CG 3.37Å
55	T	86.1	Confident	88.1	Confident	43 Å²	43	69.9 Å²	69.9	26%	0.264	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.1	177.7	-65.9	0	0	0	0	109.9	I57 V78 L79 G82	T55-I57 PolarHBondContact O-N 3.38Å; T55-V78 CarbonylContact O-C 3.55Å; T55-V78 WeakPolarHBondContact O-CA 3.37Å; T55-L79 PolarHBondContact N-O 2.81Å; T55-L79 PolarHBondContact O-N 3.17Å; T55-G82 WeakPolarHBondContact OG1-CA 3.33Å
56	L	89.3	Confident	88.2	Confident	32 Å²	32	73.9 Å²	73.9	17%	0.168	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	118.2	-177.9	-174	66.1	0	0	0	109.6	A37 L41 I59 I76	A37-L56 HydrophobicContact CB-CD1 4.32Å; A37-L56 HydrophobicContact CB-CD2 3.71Å; L41-L56 HydrophobicContact CD2-CB 3.73Å; L56-I59 HydrophobicContact CD1-CG1 4.3Å; L56-I59 HydrophobicContact CD2-CD1 4.4Å; L56-I59 HydrophobicContact CD2-CG1 4.14Å; L56-I76 HydrophobicContact CD1-CB 3.76Å; L56-I76 HydrophobicContact CD1-CD1 4.11Å; L56-I76 HydrophobicContact CD1-CG1 4.48Å; L56-I76 HydrophobicContact CD1-CG2 3.91Å
57	I	90.8	Very high	88.3	Confident	101 Å²	101	73.3 Å²	73.3	52%	0.518	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-53.7	170.8	-58.3	174.8	0	0	0	108.7	T55 E77 L79	T55-I57 PolarHBondContact O-N 3.38Å; I57-E77 HydrophobicContact CB-CB 4.22Å; I57-E77 WeakPolarHBondContact CB-O 3.42Å; I57-E77 PolarHBondContact N-O 2.83Å; I57-L79 HydrophobicContact CD1-CB 3.74Å; I57-L79 HydrophobicContact CD1-CD1 4.48Å; I57-L79 HydrophobicContact CG1-CB 3.73Å
58	K	92.9	Very high	88.3	Confident	117 Å²	117	73.7 Å²	73.7	51%	0.509	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	144.7	-169.8	-177.8	178.8	175.7	-170.3	0	111	I76 E77	K58-I76 WeakPolarHBondContact O-CA 3.27Å; K58-E77 HydrophobicContact CB-CB 4.35Å; K58-E77 PolarHBondContact N-O 3.45Å; K58-E77 PolarHBondContact O-N 2.86Å
59	I	95.8	Very high	88.5	Confident	14 Å²	14	74.1 Å²	74.1	7%	0.072	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117.1	164.9	-52.9	176.2	0	0	0	107	P28 A33 K34 A37 L56 V62 I76	P28-I59 HydrophobicContact CB-CB 4.08Å; P28-I59 HydrophobicContact CB-CG2 3.86Å; A33-I59 HydrophobicContact CB-CD1 4.09Å; A33-I59 WeakPolarHBondContact O-CD1 3.22Å; K34-I59 HydrophobicContact CG-CD1 4.22Å; A37-I59 HydrophobicContact CB-CD1 3.62Å; A37-I59 HydrophobicContact CB-CG1 4.01Å; L56-I59 HydrophobicContact CD1-CG1 4.3Å; L56-I59 HydrophobicContact CD2-CD1 4.4Å; L56-I59 HydrophobicContact CD2-CG1 4.14Å; I59-V62 HydrophobicContact CG2-CG2 3.3Å; I59-I76 HydrophobicContact CG1-CG2 4.31Å; I59-I76 HydrophobicContact CG2-CG2 4.41Å
60	V	96.1	Very high	88.9	Confident	41 Å²	41	70.8 Å²	70.8	25%	0.248	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-52.5	-177.7	-177.9	0	0	0	0	109.3	K75 E77	V60-K75 WeakPolarHBondContact CA-O 3.22Å; V60-K75 HydrophobicContact CB-CB 4.21Å; V60-K75 HydrophobicContact CB-CD 4.39Å; V60-K75 HydrophobicContact CB-CG 4.2Å; V60-K75 WeakPolarHBondContact CB-O 3.31Å; V60-K75 HydrophobicContact CG1-CD 4.22Å; V60-K75 PolarHBondContact N-O 3.33Å; V60-E77 HydrophobicContact CG2-CG 3.78Å
61	E	95.6	Very high	89.4	Confident	113 Å²	113	70.6 Å²	70.6	53%	0.528	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	144.2	-175.4	-76.8	162.5	-150	0	0	109.6	M74 K75	E61-M74 WeakPolarHBondContact O-CA 3.46Å; E61-K75 HydrophobicContact CB-CB 4.22Å; E61-K75 PolarHBondContact N-O 2.86Å; E61-K75 PolarHBondContact O-N 2.87Å
62	V	95.9	Very high	90.5	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.024	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.8	170.9	-174.9	0	0	0	0	108.4	M26 A33 I59 Y72 N73 M74	M26-V62 HydrophobicContact CB-CB 4.04Å; M26-V62 HydrophobicContact CB-CG1 3.89Å; M26-V62 HydrophobicContact CG-CB 4.41Å; M26-V62 HydrophobicContact CG-CG1 4.17Å; M26-V62 PolarHBondContact N-O 3.1Å; M26-V62 HydrophobicContact SD-CG1 3.91Å; A33-V62 HydrophobicContact CB-CG2 4.07Å; I59-V62 HydrophobicContact CG2-CG2 3.3Å; V62-Y72 HydrophobicContact CG1-CD1 4.46Å; V62-N73 CarbonylContact C-O 3.59Å; V62-N73 WeakPolarHBondContact CA-O 3.1Å; V62-M74 HydrophobicContact CG1-CG 4.03Å; V62-M74 HydrophobicContact CG2-CG 4.08Å
63	T	94.5	Very high	91.3	Very high	41 Å²	41	68.3 Å²	68.3	25%	0.252	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.8	167.3	61.5	0	0	0	0	109.5	S24 Y72 N73	S24-T63 CarbonylContact O-C 3.51Å; S24-T63 VanDerWaalsContact O-CA 3.25Å; S24-T63 WeakPolarHBondContact O-CA 3.44Å; T63-Y72 WeakPolarHBondContact O-CA 3.42Å; T63-N73 PolarHBondContact N-O 3.36Å; T63-N73 PolarHBondContact O-N 2.92Å; T63-N73 WeakPolarHBondContact OG1-CB 3.36Å
64	S	92.9	Very high	92.1	Very high	20 Å²	20	66.9 Å²	66.9	14%	0.14	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.6	177.6	72.4	0	0	0	0	110.1	P23 S24 N71	P23-S64 CarbonylContact C-O 3.57Å; P23-S64 WeakPolarHBondContact CA-O 3.48Å; S24-S64 PolarHBondContact N-O 3.45Å; S24-S64 PolarHBondContact O-N 2.86Å; S24-S64 PolarHBondContact OG-O 3.1Å; S24-S64 VanDerWaalsContact OG-O 3.09Å; S24-S64 PolarHBondContact OG-OG 2.8Å; S24-S64 VanDerWaalsContact OG-OG 3.1Å; S64-N71 CarbonylContact C-O 3.59Å; S64-N71 WeakPolarHBondContact CA-O 3.45Å
65	Q	91.3	Very high	92.5	Very high	64 Å²	64	72.5 Å²	72.5	30%	0.299	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.2	179.5	-170.1	-178.1	15.3	0	0	109.9	G21 P23 V67 I70 N71	G21-Q65 WeakPolarHBondContact O-CG 3.31Å; G21-Q65 PolarHBondContact O-NE2 2.94Å; G21-Q65 VanDerWaalsContact O-NE2 3.1Å; P23-Q65 HydrophobicContact CG-CB 4.38Å; P23-Q65 HydrophobicContact CG-CG 4.3Å; Q65-V67 HydrophobicContact CG-CG1 4.18Å; Q65-V67 PolarHBondContact O-N 2.56Å; Q65-I70 WeakPolarHBondContact O-CA 3.38Å; Q65-N71 HydrophobicContact CB-CB 4.5Å; Q65-N71 PolarHBondContact N-O 3.01Å; Q65-N71 PolarHBondContact O-N 3Å
66	V	90.1	Very high	92.9	Very high	106 Å²	106	73 Å²	73	64%	0.642	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	123.9	171.1	-178.2	0	0	0	0	108.8
67	V	87.4	Confident	93	Very high	77 Å²	77	75.9 Å²	75.9	47%	0.467	40%	0.398	S	S	.	.	S	Bend	trans	-132	-145.5	178.1	-62.7	0	0	0	0	108.6	Q65 G69 N71	Q65-V67 HydrophobicContact CG-CG1 4.18Å; Q65-V67 PolarHBondContact O-N 2.56Å; V67-G69 CarbonylContact C-O 3.55Å; V67-G69 PolarHBondContact N-O 2.7Å; V67-G69 PolarHBondContact O-N 2.71Å; V67-N71 HydrophobicContact CG1-CB 4.29Å; V67-N71 HydrophobicContact CG2-CB 4.13Å
68	N	90.1	Very high	93	Very high	177 Å²	177	73.6 Å²	73.6	95%	0.947	39%	0.389	S	S	*	.	S	Bend	trans	-74.7	64.5	159.6	-172.5	27.5	0	0	0	110.1
69	G	90.3	Very high	92.6	Very high	45 Å²	45	72.5 Å²	72.5	46%	0.464	39%	0.388	S	S	.	.	S	Bend	trans	125.8	-154.2	-164.2	0	0	0	0	0	111.2	V67	V67-G69 CarbonylContact C-O 3.55Å; V67-G69 PolarHBondContact N-O 2.7Å; V67-G69 PolarHBondContact O-N 2.71Å
70	I	90.1	Very high	91.8	Very high	96 Å²	96	77.2 Å²	77.2	49%	0.492	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.6	171.9	-56	175.1	0	0	0	108.3	Q65 Y72	Q65-I70 WeakPolarHBondContact O-CA 3.38Å; I70-Y72 HydrophobicContact CB-CE2 3.97Å; I70-Y72 HydrophobicContact CG2-CD1 4.41Å; I70-Y72 HydrophobicContact CG2-CD2 4.13Å; I70-Y72 HydrophobicContact CG2-CE1 3.9Å; I70-Y72 HydrophobicContact CG2-CE2 3.6Å; I70-Y72 VanDerWaalsContact CG2-CZ 3.48Å
71	N	92.4	Very high	90.9	Very high	84 Å²	84	75.6 Å²	75.6	45%	0.449	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.2	171	-173.6	26.5	0	0	0	109.5	S64 Q65 V67	S64-N71 CarbonylContact C-O 3.59Å; S64-N71 WeakPolarHBondContact CA-O 3.45Å; Q65-N71 HydrophobicContact CB-CB 4.5Å; Q65-N71 PolarHBondContact N-O 3.01Å; Q65-N71 PolarHBondContact O-N 3Å; V67-N71 HydrophobicContact CG1-CB 4.29Å; V67-N71 HydrophobicContact CG2-CB 4.13Å
72	Y	94.3	Very high	90.3	Very high	72 Å²	72	70.4 Å²	70.4	28%	0.282	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.6	175.3	-63.5	-83.6	0	0	0	109.3	M26 I36 V62 T63 I70	M26-Y72 HydrophobicContact CE-CE1 3.77Å; M26-Y72 HydrophobicContact SD-CD1 4.49Å; M26-Y72 HydrophobicContact SD-CE1 4.17Å; I36-Y72 HydrophobicContact CD1-CD1 3.8Å; I36-Y72 HydrophobicContact CD1-CD2 3.78Å; I36-Y72 HydrophobicContact CD1-CE1 3.61Å; I36-Y72 HydrophobicContact CD1-CE2 3.59Å; I36-Y72 HydrophobicContact CD1-CG 3.87Å; I36-Y72 VanDerWaalsContact CD1-CZ 3.49Å; I36-Y72 HydrophobicContact CG2-CD2 4.49Å; I36-Y72 HydrophobicContact CG2-CG 4.45Å; V62-Y72 HydrophobicContact CG1-CD1 4.46Å; T63-Y72 WeakPolarHBondContact O-CA 3.42Å; I70-Y72 HydrophobicContact CB-CE2 3.97Å; I70-Y72 HydrophobicContact CG2-CD1 4.41Å; I70-Y72 HydrophobicContact CG2-CD2 4.13Å; I70-Y72 HydrophobicContact CG2-CE1 3.9Å; I70-Y72 HydrophobicContact CG2-CE2 3.6Å; I70-Y72 VanDerWaalsContact CG2-CZ 3.48Å
73	N	94.9	Very high	89.8	Confident	107 Å²	107	75.4 Å²	75.4	57%	0.572	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.8	169.8	-178.5	-66.9	0	0	0	108.3	V62 T63	V62-N73 CarbonylContact C-O 3.59Å; V62-N73 WeakPolarHBondContact CA-O 3.1Å; T63-N73 PolarHBondContact N-O 3.36Å; T63-N73 PolarHBondContact O-N 2.92Å; T63-N73 WeakPolarHBondContact OG1-CB 3.36Å
74	M	95.6	Very high	89.3	Confident	45 Å²	45	74.2 Å²	74.2	22%	0.222	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138	-174.6	-57.4	-176.6	-59.9	0	0	110.3	I36 A37 A40 E61 V62 I76	I36-M74 HydrophobicContact CB-SD 4.26Å; I36-M74 HydrophobicContact CG2-CE 3.82Å; I36-M74 HydrophobicContact CG2-SD 3.73Å; A37-M74 HydrophobicContact CB-CE 4.35Å; A37-M74 HydrophobicContact CB-SD 4.17Å; A40-M74 HydrophobicContact CB-CE 3.88Å; E61-M74 WeakPolarHBondContact O-CA 3.46Å; V62-M74 HydrophobicContact CG1-CG 4.03Å; V62-M74 HydrophobicContact CG2-CG 4.08Å; M74-I76 HydrophobicContact CB-CG2 4.21Å
75	K	95.8	Very high	89.1	Confident	124 Å²	124	79 Å²	79	54%	0.539	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.4	164.6	-169.6	177.8	-179.3	-177	0	107.8	V60 E61	V60-K75 WeakPolarHBondContact CA-O 3.22Å; V60-K75 HydrophobicContact CB-CB 4.21Å; V60-K75 HydrophobicContact CB-CD 4.39Å; V60-K75 HydrophobicContact CB-CG 4.2Å; V60-K75 WeakPolarHBondContact CB-O 3.31Å; V60-K75 HydrophobicContact CG1-CD 4.22Å; V60-K75 PolarHBondContact N-O 3.33Å; E61-K75 HydrophobicContact CB-CB 4.22Å; E61-K75 PolarHBondContact N-O 2.86Å; E61-K75 PolarHBondContact O-N 2.87Å
76	I	94.3	Very high	89.2	Confident	54 Å²	54	76.9 Å²	76.9	28%	0.277	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.3	-178	63	172.4	0	0	0	110.7	A37 L56 K58 I59 M74 V78	A37-I76 HydrophobicContact CB-CG2 4.45Å; L56-I76 HydrophobicContact CD1-CB 3.76Å; L56-I76 HydrophobicContact CD1-CD1 4.11Å; L56-I76 HydrophobicContact CD1-CG1 4.48Å; L56-I76 HydrophobicContact CD1-CG2 3.91Å; K58-I76 WeakPolarHBondContact O-CA 3.27Å; I59-I76 HydrophobicContact CG1-CG2 4.31Å; I59-I76 HydrophobicContact CG2-CG2 4.41Å; M74-I76 HydrophobicContact CB-CG2 4.21Å; I76-V78 HydrophobicContact CD1-CG1 3.87Å; I76-V78 HydrophobicContact CG1-CG1 4.15Å
77	E	92.9	Very high	89.4	Confident	91 Å²	91	76.5 Å²	76.5	43%	0.425	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.8	167.7	-71.4	170.3	-167.2	0	0	108.3	I57 K58 V60	I57-E77 HydrophobicContact CB-CB 4.22Å; I57-E77 WeakPolarHBondContact CB-O 3.42Å; I57-E77 PolarHBondContact N-O 2.83Å; K58-E77 HydrophobicContact CB-CB 4.35Å; K58-E77 PolarHBondContact N-O 3.45Å; K58-E77 PolarHBondContact O-N 2.86Å; V60-E77 HydrophobicContact CG2-CG 3.78Å
78	V	89.7	Confident	89.9	Confident	54 Å²	54	75 Å²	75	33%	0.327	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.2	-178.9	-65.6	0	0	0	0	111.1	L41 D54 T55 I76	L41-V78 HydrophobicContact CD1-CG1 3.91Å; L41-V78 HydrophobicContact CD2-CG1 4.39Å; D54-V78 HydrophobicContact CB-CB 3.91Å; D54-V78 HydrophobicContact CB-CG1 4.26Å; D54-V78 HydrophobicContact CB-CG2 4.13Å; T55-V78 CarbonylContact O-C 3.55Å; T55-V78 WeakPolarHBondContact O-CA 3.37Å; I76-V78 HydrophobicContact CD1-CG1 3.87Å; I76-V78 HydrophobicContact CG1-CG1 4.15Å
79	L	83.7	Confident	90.2	Very high	93 Å²	93	74.2 Å²	74.2	49%	0.487	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.8	171.4	-172.2	64.9	0	0	0	108.9	D54 T55 I57	D54-L79 WeakPolarHBondContact CA-O 3.2Å; T55-L79 PolarHBondContact N-O 2.81Å; T55-L79 PolarHBondContact O-N 3.17Å; I57-L79 HydrophobicContact CD1-CB 3.74Å; I57-L79 HydrophobicContact CD1-CD1 4.48Å; I57-L79 HydrophobicContact CG1-CB 3.73Å
80	L	79.7	Confident	90.4	Very high	114 Å²	114	73.4 Å²	73.4	60%	0.597	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	132.2	169.5	-74.1	161	0	0	0	109.9	D54	D54-L80 WeakPolarHBondContact OD1-CA 3.44Å; D54-L80 WeakPolarHBondContact OD1-CD2 3.25Å; D54-L80 WeakPolarHBondContact OD1-CG 3.37Å
81	G	77.8	Confident	90.7	Very high	6 Å²	6	75.3 Å²	75.3	6%	0.062	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	36.1	174.5	0	0	0	0	0	113.2	H53 Q125	H53-G81 PolarHBondContact O-N 2.91Å; G81-Q125 WeakPolarHBondContact O-CG 3.37Å; G81-Q125 PolarHBondContact O-NE2 3.49Å
82	G	82.3	Confident	90.8	Very high	5 Å²	5	75.7 Å²	75.7	5%	0.052	38%	0.381	C	S	.	.			trans	-80	-177.7	166.7	0	0	0	0	0	112.5	T55	T55-G82 WeakPolarHBondContact OG1-CA 3.33Å
83	W	86.2	Confident	91	Very high	109 Å²	109	72.2 Å²	72.2	41%	0.413	37%	0.368	S	S	.	.			trans	-68.8	133.7	-179.6	-70.5	99.7	0	0	0	111	S123 Q125 N131 K133	W83-S123 WeakPolarHBondContact CZ3-O 3.35Å; W83-Q125 HydrophobicContact CD2-CB 3.81Å; W83-Q125 HydrophobicContact CE3-CB 3.71Å; W83-Q125 HydrophobicContact CG-CB 4.38Å; W83-Q125 HydrophobicContact CH2-CB 4.22Å; W83-Q125 HydrophobicContact CZ2-CB 4.31Å; W83-Q125 HydrophobicContact CZ3-CB 3.91Å; W83-N131 HydrophobicContact CH2-CB 3.86Å; W83-N131 HydrophobicContact CZ2-CB 4.41Å; W83-N131 HydrophobicContact CZ3-CB 4.5Å; W83-K133 HydrophobicContact CE3-CB 4.16Å; W83-K133 HydrophobicContact CH2-CB 3.65Å; W83-K133 HydrophobicContact CZ2-CB 4.32Å; W83-K133 HydrophobicContact CZ3-CB 3.57Å
84	S	83.5	Confident	91	Very high	16 Å²	16	71 Å²	71	11%	0.112	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.6	175	57.9	0	0	0	0	110.2	L86 S123 T124	S84-L86 PolarHBondContact O-N 3.11Å; S84-S123 CarbonylContact O-C 3.56Å; S84-S123 WeakPolarHBondContact O-CA 3.4Å; S84-S123 WeakPolarHBondContact O-CB 3.44Å; S84-T124 PolarHBondContact N-O 3.23Å; S84-T124 PolarHBondContact O-N 2.93Å; S84-T124 WeakPolarHBondContact OG-CG2 3.46Å; S84-T124 PolarHBondContact OG-O 3.09Å; S84-T124 VanDerWaalsContact OG-O 3.13Å
85	P	89.4	Confident	91.1	Very high	120 Å²	120	76.7 Å²	76.7	78%	0.779	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	133.8	175	-23.7	33.9	0	0	0	111.2
86	L	92.2	Very high	91.1	Very high	20 Å²	20	71.8 Å²	71.8	11%	0.105	36%	0.361	C	S	.	.			trans	-107.5	129.5	172.3	177.8	64.8	0	0	0	108	S84 V88 E92 A93 A122 T124 Y132	S84-L86 PolarHBondContact O-N 3.11Å; L86-V88 PolarHBondContact O-N 3.13Å; L86-V88 VanDerWaalsContact O-N 3.11Å; L86-E92 HydrophobicContact CD1-CG 4.5Å; L86-E92 HydrophobicContact CD2-CG 4.38Å; L86-A93 HydrophobicContact CD2-CB 3.93Å; L86-A93 HydrophobicContact CG-CB 4.19Å; L86-A122 HydrophobicContact CB-CB 3.97Å; L86-A122 HydrophobicContact CD2-CB 4.27Å; L86-A122 HydrophobicContact CG-CB 4.33Å; L86-A122 PolarHBondContact N-O 3.44Å; L86-T124 HydrophobicContact CB-CG2 4.48Å; L86-Y132 HydrophobicContact CD2-CD1 4.09Å; L86-Y132 HydrophobicContact CD2-CE1 4.27Å
87	D	94.5	Very high	91.2	Very high	98 Å²	98	69.5 Å²	69.5	52%	0.524	35%	0.35	S	S	.	.			trans	-60.8	119.3	176.9	176.4	12.2	0	0	0	110.1	K89 S90 A93	D87-K89 PolarHBondContact O-N 2.86Å; D87-K89 VanDerWaalsContact O-N 3.09Å; D87-K89 PolarHBondContact OD1-N 3.41Å; D87-S90 WeakPolarHBondContact O-CB 3.47Å; D87-S90 PolarHBondContact O-N 2.85Å; D87-S90 PolarHBondContact O-OG 2.66Å; D87-A93 VanDerWaalsContact O-CB 3.31Å; D87-A93 WeakPolarHBondContact O-CB 3.03Å
88	V	97.3	Very high	91.3	Very high	44 Å²	44	67.7 Å²	67.7	27%	0.267	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19	179.4	-57.9	0	0	0	0	113.1	L86 I119 A122	L86-V88 PolarHBondContact O-N 3.13Å; L86-V88 VanDerWaalsContact O-N 3.11Å; V88-I119 HydrophobicContact CB-CB 4.21Å; V88-I119 HydrophobicContact CB-CG2 3.8Å; V88-I119 HydrophobicContact CG1-CG2 3.76Å; V88-A122 HydrophobicContact CG1-CB 4.16Å
89	K	96.3	Very high	91.5	Very high	161 Å²	161	72.9 Å²	72.9	70%	0.7	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-9.7	176.1	-61.6	180	-178.1	175	0	113.3	D87 K94	D87-K89 PolarHBondContact O-N 2.86Å; D87-K89 VanDerWaalsContact O-N 3.09Å; D87-K89 PolarHBondContact OD1-N 3.41Å; K89-K94 WeakPolarHBondContact O-CE 3.39Å
90	S	96	Very high	92.1	Very high	28 Å²	28	71.7 Å²	71.7	20%	0.196	36%	0.359	C	S	.	.	S	Bend	trans	-63.4	148.6	179.3	68.7	0	0	0	0	111.9	D87 E92 A93 K94	D87-S90 WeakPolarHBondContact O-CB 3.47Å; D87-S90 PolarHBondContact O-N 2.85Å; D87-S90 PolarHBondContact O-OG 2.66Å; S90-E92 PolarHBondContact O-N 2.97Å; S90-A93 PolarHBondContact O-N 2.73Å; S90-A93 VanDerWaalsContact OG-CB 3.3Å; S90-A93 WeakPolarHBondContact OG-CB 3.41Å; S90-A93 PolarHBondContact OG-N 3.05Å; S90-K94 WeakPolarHBondContact O-CG 3.38Å; S90-K94 PolarHBondContact O-N 2.82Å; S90-K94 VanDerWaalsContact O-N 3.11Å
91	E	96.2	Very high	92.8	Very high	136 Å²	136	66.7 Å²	66.7	64%	0.636	33%	0.333	S	S	*	.	H	α-helix	trans	-61.8	-30.1	174	-67.2	-53.6	123	0	0	111.9	K94 K95	E91-K94 IonicContact OE1-NZ 3.03Å; E91-K94 PolarHBondContact OE1-NZ 2.91Å; E91-K95 WeakPolarHBondContact O-CB 3.35Å; E91-K95 PolarHBondContact O-N 2.96Å
92	E	95.1	Very high	93.5	Very high	92 Å²	92	69.3 Å²	69.3	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-64.3	-49	173.7	-175.7	169.4	-143.4	0	0	111.7	L86 S90 K94 K95 V96 Y132	L86-E92 HydrophobicContact CD1-CG 4.5Å; L86-E92 HydrophobicContact CD2-CG 4.38Å; S90-E92 PolarHBondContact O-N 2.97Å; E92-K94 VanDerWaalsContact C-N 3.35Å; E92-K94 PolarHBondContact O-N 2.81Å; E92-K95 PolarHBondContact O-N 3.42Å; E92-V96 WeakPolarHBondContact O-CG2 3.33Å; E92-V96 PolarHBondContact O-N 3.11Å; E92-Y132 HydrophobicContact CG-CE1 4.02Å; E92-Y132 PolarHBondContact OE1-OH 3.22Å
93	A	96.9	Very high	94.1	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-58.5	-46.3	176.3	0	0	0	0	0	111.5	L86 D87 S90 V96 A97 I119 M134	L86-A93 HydrophobicContact CD2-CB 3.93Å; L86-A93 HydrophobicContact CG-CB 4.19Å; D87-A93 VanDerWaalsContact O-CB 3.31Å; D87-A93 WeakPolarHBondContact O-CB 3.03Å; S90-A93 PolarHBondContact O-N 2.73Å; S90-A93 VanDerWaalsContact OG-CB 3.3Å; S90-A93 WeakPolarHBondContact OG-CB 3.41Å; S90-A93 PolarHBondContact OG-N 3.05Å; A93-V96 PolarHBondContact O-N 3.31Å; A93-A97 WeakPolarHBondContact O-CB 3.44Å; A93-A97 PolarHBondContact O-N 3.25Å; A93-I119 HydrophobicContact CB-CD1 4.28Å; A93-M134 HydrophobicContact CB-CE 4.19Å; A93-M134 WeakPolarHBondContact O-CE 3.17Å
94	K	96.3	Very high	94.4	Very high	81 Å²	81	72.3 Å²	72.3	35%	0.352	37%	0.369	S	S	.	.	H	α-helix	trans	-59	-50.8	176.3	-65.2	175.7	-166.8	165.1	0	111.2	K89 S90 E91 E92 V96 A97 H98	K89-K94 WeakPolarHBondContact O-CE 3.39Å; S90-K94 WeakPolarHBondContact O-CG 3.38Å; S90-K94 PolarHBondContact O-N 2.82Å; S90-K94 VanDerWaalsContact O-N 3.11Å; E91-K94 IonicContact OE1-NZ 3.03Å; E91-K94 PolarHBondContact OE1-NZ 2.91Å; E92-K94 VanDerWaalsContact C-N 3.35Å; E92-K94 PolarHBondContact O-N 2.81Å; K94-V96 VanDerWaalsContact C-N 3.33Å; K94-V96 PolarHBondContact O-N 2.98Å; K94-A97 PolarHBondContact O-N 2.8Å; K94-A97 VanDerWaalsContact O-N 3.13Å; K94-H98 PolarHBondContact O-CD2 2.93Å; K94-H98 PolarHBondContact O-N 3.27Å
95	K	96.1	Very high	94.9	Very high	164 Å²	164	72.1 Å²	72.1	71%	0.713	37%	0.367	S	S	*	.	H	α-helix	trans	-57.3	-44.7	-179.3	-177.8	179.8	179.7	-178.9	0	112.2	E91 E92 K99	E91-K95 WeakPolarHBondContact O-CB 3.35Å; E91-K95 PolarHBondContact O-N 2.96Å; E92-K95 PolarHBondContact O-N 3.42Å; K95-K99 WeakPolarHBondContact O-CB 3.41Å; K95-K99 PolarHBondContact O-N 3.07Å
96	V	96.3	Very high	95	Very high	22 Å²	22	70.8 Å²	70.8	13%	0.133	36%	0.361	C	S	.	.	H	α-helix	trans	-66.1	-42.8	177.6	175.9	0	0	0	0	110.6	E92 A93 K94 K99 S100 Y132 M134	E92-V96 WeakPolarHBondContact O-CG2 3.33Å; E92-V96 PolarHBondContact O-N 3.11Å; A93-V96 PolarHBondContact O-N 3.31Å; K94-V96 VanDerWaalsContact C-N 3.33Å; K94-V96 PolarHBondContact O-N 2.98Å; V96-K99 PolarHBondContact O-N 2.94Å; V96-S100 WeakPolarHBondContact O-CB 3.44Å; V96-S100 PolarHBondContact O-N 3.42Å; V96-S100 PolarHBondContact O-OG 2.87Å; V96-Y132 HydrophobicContact CB-CD1 4.46Å; V96-Y132 HydrophobicContact CB-CG 4.41Å; V96-Y132 HydrophobicContact CG1-CD1 4.22Å; V96-Y132 HydrophobicContact CG1-CD2 4.07Å; V96-Y132 HydrophobicContact CG1-CG 3.74Å; V96-Y132 HydrophobicContact CG2-CD1 3.79Å; V96-Y132 HydrophobicContact CG2-CD2 3.98Å; V96-Y132 HydrophobicContact CG2-CE1 3.72Å; V96-Y132 HydrophobicContact CG2-CE2 3.94Å; V96-Y132 HydrophobicContact CG2-CG 3.91Å; V96-M134 HydrophobicContact CB-SD 3.98Å; V96-M134 HydrophobicContact CG1-SD 3.62Å
97	A	96.6	Very high	95.1	Very high	5 Å²	5	77 Å²	77	4%	0.041	39%	0.387	C	S	.	.	H	α-helix	trans	-60.9	-46.9	177.4	0	0	0	0	0	112.4	A93 K94 S100 L101 L116 I119 M134	A93-A97 WeakPolarHBondContact O-CB 3.44Å; A93-A97 PolarHBondContact O-N 3.25Å; K94-A97 PolarHBondContact O-N 2.8Å; K94-A97 VanDerWaalsContact O-N 3.13Å; A97-S100 PolarHBondContact O-N 3.49Å; A97-L101 WeakPolarHBondContact O-CB 3.46Å; A97-L101 PolarHBondContact O-N 2.83Å; A97-L116 HydrophobicContact CB-CD1 4.35Å; A97-L116 HydrophobicContact CB-CD2 3.62Å; A97-I119 HydrophobicContact CB-CD1 3.81Å; A97-I119 HydrophobicContact CB-CG1 4.07Å; A97-M134 HydrophobicContact CB-CE 3.91Å; A97-M134 HydrophobicContact CB-SD 4.38Å
98	H	94.9	Very high	94.9	Very high	53 Å²	53	73.7 Å²	73.7	25%	0.245	37%	0.372	C	S	.	.	H	α-helix	trans	-64.8	-40.8	177.4	-70.6	-68.2	0	0	0	112.2	K94 S100 L101 A102 D153	K94-H98 PolarHBondContact O-CD2 2.93Å; K94-H98 PolarHBondContact O-N 3.27Å; H98-S100 PolarHBondContact O-N 2.9Å; H98-L101 PolarHBondContact O-N 3.4Å; H98-A102 WeakPolarHBondContact O-CB 3.43Å; H98-A102 PolarHBondContact O-N 3.36Å; H98-D153 PolarHBondContact CE1-OXT 3.07Å; H98-D153 PolarHBondContact NE2-OXT 2.93Å
99	K	95	Very high	94.7	Very high	163 Å²	163	79.3 Å²	79.3	71%	0.709	40%	0.4	S	S	*	.	H	α-helix	trans	-61.6	-44.7	175.4	-174.3	177	179.5	-177.4	0	111.8	K95 V96 A102 D103	K95-K99 WeakPolarHBondContact O-CB 3.41Å; K95-K99 PolarHBondContact O-N 3.07Å; V96-K99 PolarHBondContact O-N 2.94Å; K99-A102 PolarHBondContact O-N 3.13Å; K99-D103 PolarHBondContact O-N 2.84Å; K99-D103 VanDerWaalsContact O-N 3.07Å
100	S	95.1	Very high	94.5	Very high	68 Å²	68	74.1 Å²	74.1	48%	0.476	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-39	176.4	-64	0	0	0	0	112.1	V96 A97 H98 D103 R104	V96-S100 WeakPolarHBondContact O-CB 3.44Å; V96-S100 PolarHBondContact O-N 3.42Å; V96-S100 PolarHBondContact O-OG 2.87Å; A97-S100 PolarHBondContact O-N 3.49Å; H98-S100 PolarHBondContact O-N 2.9Å; S100-D103 PolarHBondContact O-N 3.39Å; S100-R104 WeakPolarHBondContact O-CB 3.3Å; S100-R104 PolarHBondContact O-N 3.47Å
101	L	94.7	Very high	94.3	Very high	9 Å²	9	78.3 Å²	78.3	5%	0.047	41%	0.408	C	S	.	.	H	α-helix	trans	-64.3	-43.2	175	-179.6	68.1	0	0	0	111.8	A97 H98 R104 N105 D114 L116 I138	A97-L101 WeakPolarHBondContact O-CB 3.46Å; A97-L101 PolarHBondContact O-N 2.83Å; H98-L101 PolarHBondContact O-N 3.4Å; L101-R104 PolarHBondContact O-N 3Å; L101-N105 WeakPolarHBondContact O-CB 3.18Å; L101-N105 PolarHBondContact O-N 2.9Å; L101-D114 HydrophobicContact CD1-CB 3.89Å; L101-L116 HydrophobicContact CD2-CB 3.97Å; L101-I138 HydrophobicContact CD1-CG2 4.19Å
102	A	92.6	Very high	94.2	Very high	61 Å²	61	74.5 Å²	74.5	50%	0.504	39%	0.392	S	S	.	.	H	α-helix	trans	-61.2	-43.7	176.9	0	0	0	0	0	111.6	H98 K99 N105 S106	H98-A102 WeakPolarHBondContact O-CB 3.43Å; H98-A102 PolarHBondContact O-N 3.36Å; K99-A102 PolarHBondContact O-N 3.13Å; A102-N105 PolarHBondContact O-N 2.95Å; A102-S106 PolarHBondContact O-N 2.89Å
103	D	94.5	Very high	94.1	Very high	76 Å²	76	71.8 Å²	71.8	41%	0.406	38%	0.379	S	S	.	.	H	α-helix	trans	-63.6	-41.9	174.6	-176.4	70.3	0	0	0	112.3	K99 S100 N105 S106 K107	K99-D103 PolarHBondContact O-N 2.84Å; K99-D103 VanDerWaalsContact O-N 3.07Å; S100-D103 PolarHBondContact O-N 3.39Å; D103-N105 PolarHBondContact O-N 2.83Å; D103-S106 PolarHBondContact O-N 2.95Å; D103-S106 PolarHBondContact O-OG 3.35Å; D103-K107 WeakPolarHBondContact O-CG 3.49Å; D103-K107 PolarHBondContact O-N 3.02Å; D103-K107 WeakPolarHBondContact OD1-CE 3.41Å; D103-K107 IonicContact OD1-NZ 3Å; D103-K107 PolarHBondContact OD1-NZ 3.5Å; D103-K107 WeakPolarHBondContact OD2-CE 3.37Å; D103-K107 IonicContact OD2-NZ 3.93Å; D103-K107 PolarHBondContact OD2-NZ 2.79Å
104	R	93.9	Very high	93.9	Very high	101 Å²	101	72.3 Å²	72.3	38%	0.381	38%	0.382	S	S	.	.	H	α-helix	trans	-61.7	-44.4	173.6	-179.8	171.6	-177.1	-97.8	-6.3	111.6	S100 L101 S106 K107 S108 D114	S100-R104 WeakPolarHBondContact O-CB 3.3Å; S100-R104 PolarHBondContact O-N 3.47Å; L101-R104 PolarHBondContact O-N 3Å; R104-S106 VanDerWaalsContact C-N 3.32Å; R104-S106 PolarHBondContact O-N 2.77Å; R104-K107 PolarHBondContact O-N 2.91Å; R104-S108 WeakPolarHBondContact O-CB 2.95Å; R104-S108 PolarHBondContact O-N 3Å; R104-D114 IonicContact CZ-OD1 2.75Å; R104-D114 IonicContact CZ-OD2 2.7Å; R104-D114 VanDerWaalsContact NH1-CB 3.27Å; R104-D114 IonicContact NH1-OD1 2.87Å; R104-D114 PolarHBondContact NH1-OD1 2.87Å; R104-D114 IonicContact NH1-OD2 3.9Å; R104-D114 PolarHBondContact NH1-OD2 3.36Å; R104-D114 IonicContact NH2-OD1 2.7Å; R104-D114 IonicContact NH2-OD2 2.73Å
105	N	93	Very high	93.8	Very high	13 Å²	13	71.9 Å²	71.9	7%	0.07	38%	0.382	C	S	.	.	H	α-helix	trans	-63.4	-36.7	-179.9	-91	-36.6	0	0	0	112.6	L101 A102 D103 K107 H113 D114 K145	L101-N105 WeakPolarHBondContact O-CB 3.18Å; L101-N105 PolarHBondContact O-N 2.9Å; A102-N105 PolarHBondContact O-N 2.95Å; D103-N105 PolarHBondContact O-N 2.83Å; N105-K107 VanDerWaalsContact C-N 3.32Å; N105-H113 WeakPolarHBondContact OD1-CA 3.19Å; N105-D114 PolarHBondContact ND2-O 3.3Å; N105-D114 PolarHBondContact OD1-N 3.3Å; N105-K145 PolarHBondContact O-NZ 2.92Å
106	S	91.4	Very high	93.7	Very high	92 Å²	92	66 Å²	66	64%	0.643	36%	0.358	S	S	*	.	H	α-helix	trans	-70.6	-28.2	177.2	74.1	0	0	0	0	113.1	A102 D103 R104	A102-S106 PolarHBondContact O-N 2.89Å; D103-S106 PolarHBondContact O-N 2.95Å; D103-S106 PolarHBondContact O-OG 3.35Å; R104-S106 VanDerWaalsContact C-N 3.32Å; R104-S106 PolarHBondContact O-N 2.77Å
107	K	94	Very high	93.7	Very high	150 Å²	150	70.2 Å²	70.2	65%	0.652	38%	0.379	S	S	*	.	H	α-helix	trans	-94.9	-18.6	-179.5	-66.5	170.8	-177.4	167.7	0	114.3	D103 R104 N105	D103-K107 WeakPolarHBondContact O-CG 3.49Å; D103-K107 PolarHBondContact O-N 3.02Å; D103-K107 WeakPolarHBondContact OD1-CE 3.41Å; D103-K107 IonicContact OD1-NZ 3Å; D103-K107 PolarHBondContact OD1-NZ 3.5Å; D103-K107 WeakPolarHBondContact OD2-CE 3.37Å; D103-K107 IonicContact OD2-NZ 3.93Å; D103-K107 PolarHBondContact OD2-NZ 2.79Å; R104-K107 PolarHBondContact O-N 2.91Å; N105-K107 VanDerWaalsContact C-N 3.32Å
108	S	91.4	Very high	93.7	Very high	29 Å²	29	76 Å²	76	20%	0.203	40%	0.403	C	S	.	.			trans	-75	144.6	-178.3	155.4	0	0	0	0	111.6	R104 S110 K145	R104-S108 WeakPolarHBondContact O-CB 2.95Å; R104-S108 PolarHBondContact O-N 3Å; S108-S110 WeakPolarHBondContact OG-CB 3.22Å; S108-S110 PolarHBondContact OG-N 3.08Å; S108-S110 VanDerWaalsContact OG-N 3.14Å; S108-S110 PolarHBondContact OG-OG 3.41Å; S108-S110 VanDerWaalsContact OG-OG 3.14Å; S108-K145 PolarHBondContact O-NZ 2.75Å; S108-K145 PolarHBondContact OG-NZ 2.67Å
109	N	91.9	Very high	93.8	Very high	162 Å²	162	74.4 Å²	74.4	87%	0.866	40%	0.397	S	S	*	.			trans	-94.5	7.2	173.8	64.4	-16.3	0	0	0	113.5
110	S	92.4	Very high	93.9	Very high	51 Å²	51	69.9 Å²	69.9	36%	0.357	38%	0.382	S	S	.	.			trans	-60.8	146.4	177.4	-62.2	0	0	0	0	112.2	S108 N112 K145	S108-S110 WeakPolarHBondContact OG-CB 3.22Å; S108-S110 PolarHBondContact OG-N 3.08Å; S108-S110 VanDerWaalsContact OG-N 3.14Å; S108-S110 PolarHBondContact OG-OG 3.41Å; S108-S110 VanDerWaalsContact OG-OG 3.14Å; S110-N112 VanDerWaalsContact C-N 3.3Å; S110-N112 WeakPolarHBondContact CB-O 3.35Å; S110-N112 PolarHBondContact O-N 2.76Å; S110-K145 WeakPolarHBondContact O-CD 3.34Å; S110-K145 WeakPolarHBondContact O-CE 3.32Å
111	V	92.7	Very high	94	Very high	117 Å²	117	70.4 Å²	70.4	71%	0.709	38%	0.38	S	S	*	.	S	Bend	trans	-62.8	-39.8	174.6	178.8	0	0	0	0	111.3	A144 K145	V111-A144 CarbonylContact O-C 3.58Å; V111-A144 WeakPolarHBondContact O-CA 3.32Å; V111-K145 PolarHBondContact O-N 2.9Å
112	N	93.4	Very high	94.1	Very high	56 Å²	56	70 Å²	70	30%	0.299	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	154.5	179.5	-63.6	-15.6	0	0	0	111.6	S110 S141 C143 K145	S110-N112 VanDerWaalsContact C-N 3.3Å; S110-N112 WeakPolarHBondContact CB-O 3.35Å; S110-N112 PolarHBondContact O-N 2.76Å; N112-S141 VanDerWaalsContact CB-O 3.29Å; N112-S141 WeakPolarHBondContact CB-O 3.2Å; N112-S141 PolarHBondContact ND2-O 2.7Å; N112-C143 CarbonylContact C-O 3.57Å; N112-C143 VanDerWaalsContact CA-O 3.23Å; N112-C143 WeakPolarHBondContact CA-O 3.29Å; N112-C143 WeakPolarHBondContact CB-O 3.48Å; N112-K145 WeakPolarHBondContact O-CE 3.31Å
113	H	92.6	Very high	94.1	Very high	34 Å²	34	68.1 Å²	68.1	16%	0.157	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	143.2	165	-73.4	-85.8	0	0	0	110.4	N105 S141 C143 K145 C149 L152	N105-H113 WeakPolarHBondContact OD1-CA 3.19Å; H113-S141 WeakPolarHBondContact O-CA 3.05Å; H113-S141 WeakPolarHBondContact O-CB 3.38Å; H113-S141 PolarHBondContact O-N 3.49Å; H113-S141 PolarHBondContact O-OG 2.87Å; H113-C143 PolarHBondContact N-O 2.01Å; H113-K145 WeakPolarHBondContact NE2-CA 3.46Å; H113-C149 PolarHBondContact CD2-SG 2.84Å; H113-L152 HydrophobicContact CB-CD1 3.58Å; H113-L152 HydrophobicContact CB-CD2 3.91Å; H113-L152 HydrophobicContact CB-CG 4.43Å
114	D	93.9	Very high	94	Very high	12 Å²	12	65.4 Å²	65.4	6%	0.064	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	149.3	163.8	-61.7	-76.9	0	0	0	110.4	L101 R104 N105 G139	L101-D114 HydrophobicContact CD1-CB 3.89Å; R104-D114 IonicContact CZ-OD1 2.75Å; R104-D114 IonicContact CZ-OD2 2.7Å; R104-D114 VanDerWaalsContact NH1-CB 3.27Å; R104-D114 IonicContact NH1-OD1 2.87Å; R104-D114 PolarHBondContact NH1-OD1 2.87Å; R104-D114 IonicContact NH1-OD2 3.9Å; R104-D114 PolarHBondContact NH1-OD2 3.36Å; R104-D114 IonicContact NH2-OD1 2.7Å; R104-D114 IonicContact NH2-OD2 2.73Å; N105-D114 PolarHBondContact ND2-O 3.3Å; N105-D114 PolarHBondContact OD1-N 3.3Å; D114-G139 CarbonylContact C-O 3.5Å; D114-G139 WeakPolarHBondContact CA-O 3.45Å
115	M	93.4	Very high	93.7	Very high	71 Å²	71	62.4 Å²	62.4	35%	0.35	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	149	173.8	56.6	167.7	43	0	0	111.3	I138 G139	M115-I138 WeakPolarHBondContact O-CA 3.46Å; M115-G139 VanDerWaalsContact CG-O 3.31Å; M115-G139 WeakPolarHBondContact CG-O 3.42Å; M115-G139 PolarHBondContact N-O 3.32Å; M115-G139 PolarHBondContact O-N 2.8Å; M115-G139 VanDerWaalsContact O-N 3.07Å
116	L	94.7	Very high	93.3	Very high	40 Å²	40	63.8 Å²	63.8	21%	0.209	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	121.4	172.8	-177.7	67.5	0	0	0	108.8	A97 L101 I119 V136	A97-L116 HydrophobicContact CB-CD1 4.35Å; A97-L116 HydrophobicContact CB-CD2 3.62Å; L101-L116 HydrophobicContact CD2-CB 3.97Å; L116-I119 HydrophobicContact CD2-CG1 4.33Å; L116-V136 HydrophobicContact CD1-CB 3.83Å; L116-V136 HydrophobicContact CD1-CG1 4.06Å; L116-V136 HydrophobicContact CD1-CG2 4.38Å
117	I	95.3	Very high	92.8	Very high	112 Å²	112	61.9 Å²	61.9	57%	0.574	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	-49.2	177.3	-61.9	172.7	0	0	0	110	Y137	I117-Y137 WeakPolarHBondContact CB-O 3.46Å; I117-Y137 PolarHBondContact N-O 3.02Å
118	K	96	Very high	92.2	Very high	126 Å²	126	60.3 Å²	60.3	55%	0.548	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	141.8	-174.5	175.1	175.6	179.4	-174.1	0	111.4	V136 Y137	K118-V136 CarbonylContact O-C 3.6Å; K118-V136 WeakPolarHBondContact O-CA 3.04Å; K118-Y137 HydrophobicContact CB-CD2 4.21Å; K118-Y137 HydrophobicContact CD-CD2 4.44Å; K118-Y137 PolarHBondContact N-O 3.4Å; K118-Y137 PolarHBondContact O-N 3.44Å
119	I	97.8	Very high	91.9	Very high	20 Å²	20	61.2 Å²	61.2	10%	0.103	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.5	163.8	-55.4	167.9	0	0	0	107.8	V88 A93 A97 L116 A122 M134 V136	V88-I119 HydrophobicContact CB-CB 4.21Å; V88-I119 HydrophobicContact CB-CG2 3.8Å; V88-I119 HydrophobicContact CG1-CG2 3.76Å; A93-I119 HydrophobicContact CB-CD1 4.28Å; A97-I119 HydrophobicContact CB-CD1 3.81Å; A97-I119 HydrophobicContact CB-CG1 4.07Å; L116-I119 HydrophobicContact CD2-CG1 4.33Å; I119-A122 HydrophobicContact CG2-CB 4.35Å; I119-M134 HydrophobicContact CB-CE 4.49Å; I119-M134 HydrophobicContact CD1-CE 3.83Å; I119-M134 HydrophobicContact CG1-CE 4.06Å; I119-M134 HydrophobicContact CG2-CE 3.6Å; I119-V136 HydrophobicContact CG1-CG1 4.22Å; I119-V136 HydrophobicContact CG2-CG1 4.46Å
120	V	97.8	Very high	91.7	Very high	68 Å²	68	55.6 Å²	55.6	41%	0.412	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-49.8	-178.1	-178.2	0	0	0	0	110.3	D135 Y137	V120-D135 HydrophobicContact CB-CB 4.22Å; V120-D135 WeakPolarHBondContact CB-O 3.35Å; V120-D135 PolarHBondContact N-O 3.26Å; V120-Y137 HydrophobicContact CG2-CD2 3.39Å; V120-Y137 HydrophobicContact CG2-CE2 3.28Å; V120-Y137 HydrophobicContact CG2-CG 4.3Å
121	D	97.2	Very high	91.8	Very high	79 Å²	79	56.7 Å²	56.7	42%	0.422	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.3	178.8	-171.2	34.1	0	0	0	109.8	M134 D135	D121-M134 WeakPolarHBondContact O-CA 3.4Å; D121-D135 HydrophobicContact CB-CB 4.37Å; D121-D135 PolarHBondContact N-O 2.92Å; D121-D135 PolarHBondContact O-N 2.87Å
122	A	96.2	Very high	91.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	141.3	177.3	0	0	0	0	0	110.7	L86 V88 I119 K133 M134	L86-A122 HydrophobicContact CB-CB 3.97Å; L86-A122 HydrophobicContact CD2-CB 4.27Å; L86-A122 HydrophobicContact CG-CB 4.33Å; L86-A122 PolarHBondContact N-O 3.44Å; V88-A122 HydrophobicContact CG1-CB 4.16Å; I119-A122 HydrophobicContact CG2-CB 4.35Å; A122-K133 CarbonylContact C-O 3.5Å; A122-K133 WeakPolarHBondContact CA-O 3.37Å; A122-M134 HydrophobicContact CB-CE 3.99Å; A122-M134 HydrophobicContact CB-CG 4.07Å
123	S	93.3	Very high	92	Very high	22 Å²	22	58.5 Å²	58.5	15%	0.154	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.6	174.4	-63.2	0	0	0	0	109.9	W83 S84 Y132 K133	W83-S123 WeakPolarHBondContact CZ3-O 3.35Å; S84-S123 CarbonylContact O-C 3.56Å; S84-S123 WeakPolarHBondContact O-CA 3.4Å; S84-S123 WeakPolarHBondContact O-CB 3.44Å; S123-Y132 WeakPolarHBondContact O-CA 3.46Å; S123-K133 PolarHBondContact N-O 3.07Å; S123-K133 PolarHBondContact O-N 2.9Å
124	T	91.7	Very high	92.2	Very high	18 Å²	18	58.7 Å²	58.7	11%	0.11	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.8	176.1	-172.1	0	0	0	0	110.6	S84 L86 N131	S84-T124 PolarHBondContact N-O 3.23Å; S84-T124 PolarHBondContact O-N 2.93Å; S84-T124 WeakPolarHBondContact OG-CG2 3.46Å; S84-T124 PolarHBondContact OG-O 3.09Å; S84-T124 VanDerWaalsContact OG-O 3.13Å; L86-T124 HydrophobicContact CB-CG2 4.48Å; T124-N131 CarbonylContact C-O 3.53Å; T124-N131 WeakPolarHBondContact CA-O 3.23Å; T124-N131 PolarHBondContact OG1-O 3.39Å
125	Q	87.7	Confident	92.4	Very high	38 Å²	38	62.3 Å²	62.3	18%	0.178	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	120.9	175.3	-176	-171.9	37.9	0	0	108.7	G81 W83 V127 A130 N131	G81-Q125 WeakPolarHBondContact O-CG 3.37Å; G81-Q125 PolarHBondContact O-NE2 3.49Å; W83-Q125 HydrophobicContact CD2-CB 3.81Å; W83-Q125 HydrophobicContact CE3-CB 3.71Å; W83-Q125 HydrophobicContact CG-CB 4.38Å; W83-Q125 HydrophobicContact CH2-CB 4.22Å; W83-Q125 HydrophobicContact CZ2-CB 4.31Å; W83-Q125 HydrophobicContact CZ3-CB 3.91Å; Q125-V127 HydrophobicContact CG-CG1 4.02Å; Q125-A130 CarbonylContact O-C 3.54Å; Q125-A130 WeakPolarHBondContact O-CA 3.35Å; Q125-N131 HydrophobicContact CB-CB 4.26Å; Q125-N131 PolarHBondContact N-O 3.01Å; Q125-N131 PolarHBondContact O-N 3.14Å; Q125-N131 PolarHBondContact OE1-ND2 3.07Å
126	V	83.7	Confident	92.5	Very high	42 Å²	42	61.6 Å²	61.6	26%	0.255	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.7	175.2	-167.6	0	0	0	0	109	Y52	Y52-V126 HydrophobicContact CD1-CB 3.58Å; Y52-V126 HydrophobicContact CD1-CG1 3.53Å; Y52-V126 HydrophobicContact CE1-CB 3.81Å; Y52-V126 HydrophobicContact CE1-CG1 3.23Å
127	V	81.3	Confident	92.6	Very high	53 Å²	53	66.5 Å²	66.5	32%	0.321	37%	0.368	S	S	.	.	S	Bend	trans	-128.5	-145.4	179.7	-63.1	0	0	0	0	108.8	Q125 G129	Q125-V127 HydrophobicContact CG-CG1 4.02Å; V127-G129 PolarHBondContact N-O 3.14Å; V127-G129 PolarHBondContact O-N 3.47Å
128	A	82.4	Confident	92.6	Very high	116 Å²	116	64.3 Å²	64.3	96%	0.959	36%	0.357	S	S	*	.	S	Bend	trans	-72.1	64.3	157.9	0	0	0	0	0	110.4
129	G	84.9	Confident	92.4	Very high	49 Å²	49	58.9 Å²	58.9	51%	0.505	34%	0.337	S	S	.	.	S	Bend	trans	126	-145.4	-164.2	0	0	0	0	0	110.8	V127	V127-G129 PolarHBondContact N-O 3.14Å; V127-G129 PolarHBondContact O-N 3.47Å
130	A	87.9	Confident	92.2	Very high	43 Å²	43	62.8 Å²	62.8	36%	0.355	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	135.2	173.1	0	0	0	0	0	111	Q125 Y132	Q125-A130 CarbonylContact O-C 3.54Å; Q125-A130 WeakPolarHBondContact O-CA 3.35Å; A130-Y132 HydrophobicContact CB-CE2 3.84Å
131	N	93.1	Very high	91.9	Very high	75 Å²	75	59.9 Å²	59.9	40%	0.401	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	146.9	166.9	-68.3	-30	0	0	0	109.4	W83 T124 Q125	W83-N131 HydrophobicContact CH2-CB 3.86Å; W83-N131 HydrophobicContact CZ2-CB 4.41Å; W83-N131 HydrophobicContact CZ3-CB 4.5Å; T124-N131 CarbonylContact C-O 3.53Å; T124-N131 WeakPolarHBondContact CA-O 3.23Å; T124-N131 PolarHBondContact OG1-O 3.39Å; Q125-N131 HydrophobicContact CB-CB 4.26Å; Q125-N131 PolarHBondContact N-O 3.01Å; Q125-N131 PolarHBondContact O-N 3.14Å; Q125-N131 PolarHBondContact OE1-ND2 3.07Å
132	Y	95	Very high	91.6	Very high	83 Å²	83	63.6 Å²	63.6	33%	0.325	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.9	177.3	-58.6	-91.5	0	0	0	110	L86 E92 V96 S123 A130	L86-Y132 HydrophobicContact CD2-CD1 4.09Å; L86-Y132 HydrophobicContact CD2-CE1 4.27Å; E92-Y132 HydrophobicContact CG-CE1 4.02Å; E92-Y132 PolarHBondContact OE1-OH 3.22Å; V96-Y132 HydrophobicContact CB-CD1 4.46Å; V96-Y132 HydrophobicContact CB-CG 4.41Å; V96-Y132 HydrophobicContact CG1-CD1 4.22Å; V96-Y132 HydrophobicContact CG1-CD2 4.07Å; V96-Y132 HydrophobicContact CG1-CG 3.74Å; V96-Y132 HydrophobicContact CG2-CD1 3.79Å; V96-Y132 HydrophobicContact CG2-CD2 3.98Å; V96-Y132 HydrophobicContact CG2-CE1 3.72Å; V96-Y132 HydrophobicContact CG2-CE2 3.94Å; V96-Y132 HydrophobicContact CG2-CG 3.91Å; S123-Y132 WeakPolarHBondContact O-CA 3.46Å; A130-Y132 HydrophobicContact CB-CE2 3.84Å
133	K	96	Very high	91.3	Very high	128 Å²	128	64.7 Å²	64.7	56%	0.557	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.1	171	-179.4	-177.4	175.3	-170.3	0	107.2	W83 A122 S123	W83-K133 HydrophobicContact CE3-CB 4.16Å; W83-K133 HydrophobicContact CH2-CB 3.65Å; W83-K133 HydrophobicContact CZ2-CB 4.32Å; W83-K133 HydrophobicContact CZ3-CB 3.57Å; A122-K133 CarbonylContact C-O 3.5Å; A122-K133 WeakPolarHBondContact CA-O 3.37Å; S123-K133 PolarHBondContact N-O 3.07Å; S123-K133 PolarHBondContact O-N 2.9Å
134	M	96.7	Very high	91.2	Very high	38 Å²	38	64.2 Å²	64.2	19%	0.187	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	138	-176.7	-56.4	-178	72.9	0	0	110.6	A93 V96 A97 I119 D121 A122 V136	A93-M134 HydrophobicContact CB-CE 4.19Å; A93-M134 WeakPolarHBondContact O-CE 3.17Å; V96-M134 HydrophobicContact CB-SD 3.98Å; V96-M134 HydrophobicContact CG1-SD 3.62Å; A97-M134 HydrophobicContact CB-CE 3.91Å; A97-M134 HydrophobicContact CB-SD 4.38Å; I119-M134 HydrophobicContact CB-CE 4.49Å; I119-M134 HydrophobicContact CD1-CE 3.83Å; I119-M134 HydrophobicContact CG1-CE 4.06Å; I119-M134 HydrophobicContact CG2-CE 3.6Å; D121-M134 WeakPolarHBondContact O-CA 3.4Å; A122-M134 HydrophobicContact CB-CE 3.99Å; A122-M134 HydrophobicContact CB-CG 4.07Å; M134-V136 HydrophobicContact CB-CG1 4.15Å
135	D	97.6	Very high	91	Very high	87 Å²	87	66.2 Å²	66.2	47%	0.465	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.3	167.5	-69.6	-24.8	0	0	0	108	V120 D121	V120-D135 HydrophobicContact CB-CB 4.22Å; V120-D135 WeakPolarHBondContact CB-O 3.35Å; V120-D135 PolarHBondContact N-O 3.26Å; D121-D135 HydrophobicContact CB-CB 4.37Å; D121-D135 PolarHBondContact N-O 2.92Å; D121-D135 PolarHBondContact O-N 2.87Å
136	V	97.2	Very high	91.1	Very high	56 Å²	56	72.5 Å²	72.5	34%	0.339	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.8	-174.1	-60.4	0	0	0	0	111.3	L116 K118 I119 M134 I138	L116-V136 HydrophobicContact CD1-CB 3.83Å; L116-V136 HydrophobicContact CD1-CG1 4.06Å; L116-V136 HydrophobicContact CD1-CG2 4.38Å; K118-V136 CarbonylContact O-C 3.6Å; K118-V136 WeakPolarHBondContact O-CA 3.04Å; I119-V136 HydrophobicContact CG1-CG1 4.22Å; I119-V136 HydrophobicContact CG2-CG1 4.46Å; M134-V136 HydrophobicContact CB-CG1 4.15Å; V136-I138 HydrophobicContact CG2-CG2 4.1Å
137	Y	96.9	Very high	91.3	Very high	143 Å²	143	74.1 Å²	74.1	56%	0.561	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	127.7	164.7	-70.4	-63.3	0	0	0	109.5	I117 K118 V120	I117-Y137 WeakPolarHBondContact CB-O 3.46Å; I117-Y137 PolarHBondContact N-O 3.02Å; K118-Y137 HydrophobicContact CB-CD2 4.21Å; K118-Y137 HydrophobicContact CD-CD2 4.44Å; K118-Y137 PolarHBondContact N-O 3.4Å; K118-Y137 PolarHBondContact O-N 3.44Å; V120-Y137 HydrophobicContact CG2-CD2 3.39Å; V120-Y137 HydrophobicContact CG2-CE2 3.28Å; V120-Y137 HydrophobicContact CG2-CG 4.3Å
138	I	94.3	Very high	91.4	Very high	66 Å²	66	78 Å²	78	34%	0.338	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.4	178.9	43.6	159.9	0	0	0	108.8	L101 M115 V136	L101-I138 HydrophobicContact CD1-CG2 4.19Å; M115-I138 WeakPolarHBondContact O-CA 3.46Å; V136-I138 HydrophobicContact CG2-CG2 4.1Å
139	G	92.8	Very high	91.2	Very high	12 Å²	12	74.2 Å²	74.2	12%	0.124	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	162	176.3	0	0	0	0	0	112.1	D114 M115 S141	D114-G139 CarbonylContact C-O 3.5Å; D114-G139 WeakPolarHBondContact CA-O 3.45Å; M115-G139 VanDerWaalsContact CG-O 3.31Å; M115-G139 WeakPolarHBondContact CG-O 3.42Å; M115-G139 PolarHBondContact N-O 3.32Å; M115-G139 PolarHBondContact O-N 2.8Å; M115-G139 VanDerWaalsContact O-N 3.07Å; G139-S141 PolarHBondContact O-N 3.24Å
140	P	92.3	Very high	90.5	Very high	103 Å²	103	82.9 Å²	82.9	67%	0.669	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	135	176.6	29.2	-33.9	0	0	0	110.2
141	S	92.2	Very high	89.2	Confident	7 Å²	7	89.6 Å²	89.6	5%	0.049	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	172.2	166.6	75.5	0	0	0	0	110.9	N112 H113 G139 C143	N112-S141 VanDerWaalsContact CB-O 3.29Å; N112-S141 WeakPolarHBondContact CB-O 3.2Å; N112-S141 PolarHBondContact ND2-O 2.7Å; H113-S141 WeakPolarHBondContact O-CA 3.05Å; H113-S141 WeakPolarHBondContact O-CB 3.38Å; H113-S141 PolarHBondContact O-N 3.49Å; H113-S141 PolarHBondContact O-OG 2.87Å; G139-S141 PolarHBondContact O-N 3.24Å; S141-C143 VanDerWaalsContact C-N 3.27Å; S141-C143 PolarHBondContact OG-N 2.88Å; S141-C143 VanDerWaalsContact OG-N 3.08Å; S141-C143 PolarHBondContact OG-O 3.24Å
142	N	90.4	Very high	87.6	Confident	157 Å²	157	87.7 Å²	87.7	84%	0.84	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	7.4	167	64.8	-17.3	0	0	0	113.1
143	C	90.2	Very high	85.6	Confident	23 Å²	23	92.3 Å²	92.3	16%	0.155	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	117	-179.9	-162	0	0	0	0	110.7	N112 H113 S141 C149	N112-C143 CarbonylContact C-O 3.57Å; N112-C143 VanDerWaalsContact CA-O 3.23Å; N112-C143 WeakPolarHBondContact CA-O 3.29Å; N112-C143 WeakPolarHBondContact CB-O 3.48Å; H113-C143 PolarHBondContact N-O 2.01Å; S141-C143 VanDerWaalsContact C-N 3.27Å; S141-C143 PolarHBondContact OG-N 2.88Å; S141-C143 VanDerWaalsContact OG-N 3.08Å; S141-C143 PolarHBondContact OG-O 3.24Å; C143-C149 HydrophobicContact CB-CB 4.01Å; C143-C149 WeakPolarHBondContact CB-SG 3.09Å; C143-C149 VanDerWaalsContact SG-CA 3.53Å; C143-C149 WeakPolarHBondContact SG-CB 3.45Å; C143-C149 CovalentContact SG-SG 2.01Å; C143-C149 PolarHBondContact SG-SG 3.27Å
144	A	91.4	Very high	85.1	Confident	11 Å²	11	90.6 Å²	90.6	9%	0.091	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	146.3	176.5	0	0	0	0	0	110.6	V111 K146 D147	V111-A144 CarbonylContact O-C 3.58Å; V111-A144 WeakPolarHBondContact O-CA 3.32Å; A144-K146 HydrophobicContact CB-CG 3.94Å; A144-K146 PolarHBondContact O-N 2.66Å; A144-K146 VanDerWaalsContact O-N 3.07Å; A144-D147 WeakPolarHBondContact CB-OD2 3.12Å; A144-D147 PolarHBondContact O-N 2.85Å
145	K	87.1	Confident	84.5	Confident	60 Å²	60	93.3 Å²	93.3	26%	0.261	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.6	-179.9	-64.5	-165.6	-175.9	-173.2	0	115	N105 S108 S110 V111 N112 H113	N105-K145 PolarHBondContact O-NZ 2.92Å; S108-K145 PolarHBondContact O-NZ 2.75Å; S108-K145 PolarHBondContact OG-NZ 2.67Å; S110-K145 WeakPolarHBondContact O-CD 3.34Å; S110-K145 WeakPolarHBondContact O-CE 3.32Å; V111-K145 PolarHBondContact O-N 2.9Å; N112-K145 WeakPolarHBondContact O-CE 3.31Å; H113-K145 WeakPolarHBondContact NE2-CA 3.46Å
146	K	88.9	Confident	83.7	Confident	171 Å²	171	93.7 Å²	93.7	74%	0.743	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-14.3	174	65.9	175.7	-176	68.8	0	113.2	A144	A144-K146 HydrophobicContact CB-CG 3.94Å; A144-K146 PolarHBondContact O-N 2.66Å; A144-K146 VanDerWaalsContact O-N 3.07Å
147	D	88.4	Confident	83	Confident	76 Å²	76	95.9 Å²	95.9	41%	0.406	48%	0.477	S	S	.	.	S	Bend	trans	-103.5	154.1	-175	-57.5	-33.1	0	0	0	110.1	A144 C149	A144-D147 WeakPolarHBondContact CB-OD2 3.12Å; A144-D147 PolarHBondContact O-N 2.85Å; D147-C149 PolarHBondContact O-N 2.86Å
148	V	83.3	Confident	82.1	Confident	135 Å²	135	92.9 Å²	92.9	82%	0.818	47%	0.472	S	S	*	.			trans	-81.8	103.1	177.2	-179.8	0	0	0	0	109.7
149	C	79.2	Confident	81.3	Confident	35 Å²	35	94.7 Å²	94.7	24%	0.236	48%	0.481	C	S	.	.			trans	-82.4	127.4	177.6	-45.6	0	0	0	0	111.1	H113 C143 D147 L152	H113-C149 PolarHBondContact CD2-SG 2.84Å; C143-C149 HydrophobicContact CB-CB 4.01Å; C143-C149 WeakPolarHBondContact CB-SG 3.09Å; C143-C149 VanDerWaalsContact SG-CA 3.53Å; C143-C149 WeakPolarHBondContact SG-CB 3.45Å; C143-C149 CovalentContact SG-SG 2.01Å; C143-C149 PolarHBondContact SG-SG 3.27Å; D147-C149 PolarHBondContact O-N 2.86Å; C149-L152 HydrophobicContact CB-CD1 3.64Å; C149-L152 HydrophobicContact CB-CG 3.78Å
150	R	69.7	Low	80.4	Confident	231 Å²	231	100.6 Å²	100.6	87%	0.872	51%	0.506	S	S	*	.	S	Bend	trans	-98.4	2.2	177.5	-66.4	-168.1	-177.2	107.1	-0.8	114.8
151	K	60.6	Low	79.5	Confident	185 Å²	185	100.5 Å²	100.5	80%	0.804	49%	0.494	S	S	*	.			trans	-145.7	48.9	-167.9	-61.5	-171.2	179.7	-175.8	0	113.5
152	L	60.4	Low	78.5	Confident	35 Å²	35	108.3 Å²	108.3	18%	0.183	53%	0.531	C	S	.	.			trans	-100.3	6	172.9	-63.2	176.2	0	0	0	112.6	H113 C149	H113-L152 HydrophobicContact CB-CD1 3.58Å; H113-L152 HydrophobicContact CB-CD2 3.91Å; H113-L152 HydrophobicContact CB-CG 4.43Å; C149-L152 HydrophobicContact CB-CD1 3.64Å; C149-L152 HydrophobicContact CB-CG 3.78Å
153	D	52.4	Low	77.4	Confident	180 Å²	180	103.8 Å²	103.8	96%	0.963	50%	0.503	S	S	*	.			trans	-111.5	0	178.9	-42.6	-30.3	0	0	0	109.5	H98	H98-D153 PolarHBondContact CE1-OXT 3.07Å; H98-D153 PolarHBondContact NE2-OXT 2.93Å

Retrieved 153 of 153 residues in 937 ms (Link to these results)

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