A0A077ZA04_TRITR Loading...

Tissue factor pathway inhibitor

AlphaFold DB , UniProt , Accession A0A077ZA04, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 197 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	44	Very low	37.6	Very low	244 Å²	244	175.5 Å²	175.5	100%	1.202	87%	0.871	S	S	*	*				0	105.8	0	-68.4	170.6	-179.9	0	0	107.6
2	R	36.8	Very low	37	Very low	235 Å²	235	174.1 Å²	174.1	89%	0.887	87%	0.868	S	S	*	*			trans	-107.6	113.5	174.9	-73.4	-175.4	-178.9	179.5	0.9	106.9
3	L	43.6	Very low	36.7	Very low	174 Å²	174	169.3 Å²	169.3	91%	0.911	86%	0.857	S	S	*	*			trans	-88.1	114.7	174.8	-68.2	169.5	0	0	0	107.7	G5	L3-G5 PolarHBondContact O-N 2.92Å
4	H	41	Very low	36.6	Very low	172 Å²	172	174.2 Å²	174.2	80%	0.796	86%	0.86	S	S	*	*			trans	-75.4	112.4	167.9	-72.7	-83.9	0	0	0	107.9
5	G	35.5	Very low	36.6	Very low	72 Å²	72	169.2 Å²	169.2	74%	0.742	86%	0.857	S	S	*	*			trans	-89.7	102.1	172.5	0	0	0	0	0	109.7	L3 T7	L3-G5 PolarHBondContact O-N 2.92Å; G5-T7 PolarHBondContact O-N 2.01Å
6	D	40.4	Very low	36.9	Very low	156 Å²	156	168.8 Å²	168.8	83%	0.834	86%	0.856	S	S	*	*			trans	-69.4	105.5	172.5	-76.5	-46.3	0	0	0	110.5	K8	D6-K8 PolarHBondContact O-N 3.38Å; D6-K8 VanDerWaalsContact O-N 3.08Å
7	T	40.8	Very low	37.4	Very low	139 Å²	139	163.5 Å²	163.5	85%	0.853	84%	0.844	S	S	*	*			trans	-67.8	101.6	167.7	33.8	0	0	0	0	109.9	G5 R9	G5-T7 PolarHBondContact O-N 2.01Å; T7-R9 PolarHBondContact O-N 2.93Å
8	K	33.6	Very low	37.7	Very low	201 Å²	201	161.1 Å²	161.1	87%	0.874	84%	0.84	S	S	*	*			trans	-53.5	106.3	167.6	-98.5	178	173.2	177.5	0	110.2	D6 T10	D6-K8 PolarHBondContact O-N 3.38Å; D6-K8 VanDerWaalsContact O-N 3.08Å; K8-T10 PolarHBondContact O-N 3.15Å
9	R	33.5	Very low	38.2	Very low	231 Å²	231	157.4 Å²	157.4	87%	0.872	84%	0.836	S	S	*	*			trans	-73.8	99.4	169.3	-156.4	173.8	-169	171.2	2	107.9	T7 H11	T7-R9 PolarHBondContact O-N 2.93Å; R9-H11 PolarHBondContact O-N 3.23Å
10	T	32.4	Very low	38.9	Very low	129 Å²	129	156 Å²	156	79%	0.791	82%	0.824	S	S	*	*			trans	-70.7	109.3	173.7	43.2	0	0	0	0	108.8	K8 L12	K8-T10 PolarHBondContact O-N 3.15Å; T10-L12 PolarHBondContact O-N 3.32Å; T10-L12 VanDerWaalsContact O-N 3.08Å
11	H	32.2	Very low	39.7	Very low	177 Å²	177	152.8 Å²	152.8	82%	0.819	81%	0.811	S	S	*	*			trans	-67.6	101.5	167.8	-94.6	-92.2	0	0	0	108.4	R9	R9-H11 PolarHBondContact O-N 3.23Å
12	L	30	Very low	40.5	Very low	159 Å²	159	145.1 Å²	145.1	83%	0.832	78%	0.781	S	S	*	*			trans	-68.2	126.1	164.2	-157.4	74.6	0	0	0	107.3	T10 R14	T10-L12 PolarHBondContact O-N 3.32Å; T10-L12 VanDerWaalsContact O-N 3.08Å; L12-R14 PolarHBondContact O-N 2.62Å
13	P	33	Very low	41.8	Very low	112 Å²	112	141.3 Å²	141.3	73%	0.727	77%	0.774	S	S	*	*			trans	-63.9	128.1	-176	23.2	-30.3	0	0	0	109.6	A15	P13-A15 PolarHBondContact O-N 2.88Å
14	R	35.7	Very low	42.7	Very low	238 Å²	238	135.4 Å²	135.4	90%	0.898	75%	0.75	S	S	*	*			trans	-52.8	116	168.4	-86.7	175.1	153.7	-173.8	-7.5	107.6	L12 I16	L12-R14 PolarHBondContact O-N 2.62Å; R14-I16 PolarHBondContact O-N 3.44Å
15	A	36.4	Very low	43.8	Very low	99 Å²	99	131.4 Å²	131.4	82%	0.818	73%	0.73	S	S	*	*			trans	-53.1	117	167.3	0	0	0	0	0	107.7	P13 A17	P13-A15 PolarHBondContact O-N 2.88Å; A15-A17 PolarHBondContact O-N 2.92Å
16	I	41.3	Very low	45.7	Very low	162 Å²	162	134.2 Å²	134.2	83%	0.831	72%	0.719	S	S	*	*			trans	-66.6	105.9	175.3	-56.4	172.3	0	0	0	104.9	R14	R14-I16 PolarHBondContact O-N 3.44Å
17	A	45.6	Very low	48	Very low	79 Å²	79	129.4 Å²	129.4	65%	0.653	70%	0.7	S	S	*	*			trans	-56.4	137.6	171.6	0	0	0	0	0	108.1	A15 A19	A15-A17 PolarHBondContact O-N 2.92Å; A17-A19 PolarHBondContact O-N 3.42Å
18	P	42.6	Very low	50.4	Low	120 Å²	120	124.9 Å²	124.9	78%	0.779	67%	0.67	S	S	*	*			trans	-54.7	127.9	-174.7	-20	29.7	0	0	0	109.5	E20	P18-E20 PolarHBondContact O-N 3.48Å
19	A	47.9	Very low	53.2	Low	92 Å²	92	115.6 Å²	115.6	76%	0.76	63%	0.63	S	S	*	*			trans	-54.7	111.5	172.4	0	0	0	0	0	108.2	A17 T21	A17-A19 PolarHBondContact O-N 3.42Å; A19-T21 PolarHBondContact O-N 2.87Å
20	E	50.9	Low	56	Low	128 Å²	128	110.4 Å²	110.4	60%	0.598	62%	0.619	S	S	*	*			trans	-55.7	111.3	178.7	-65.3	-178	152.7	0	0	109	P18 K25	P18-E20 PolarHBondContact O-N 3.48Å; E20-K25 WeakPolarHBondContact OE2-CE 3.48Å; E20-K25 IonicContact OE2-NZ 3.19Å
21	T	57.2	Low	58.9	Low	89 Å²	89	107.7 Å²	107.7	55%	0.546	60%	0.6	S	S	.	*			trans	-64.3	144.3	175.5	58.9	0	0	0	0	109.4	A19 E23 A24 K25	A19-T21 PolarHBondContact O-N 2.87Å; T21-E23 PolarHBondContact O-N 3.15Å; T21-E23 VanDerWaalsContact O-N 3.11Å; T21-A24 PolarHBondContact O-N 2.75Å; T21-A24 VanDerWaalsContact O-N 3.07Å; T21-K25 PolarHBondContact O-N 3.38Å
22	S	60.8	Low	61.9	Low	84 Å²	84	105.6 Å²	105.6	59%	0.587	59%	0.59	S	S	*	*	H	α-helix	trans	-56	-29	179.3	59.1	0	0	0	0	112.5	R26	S22-R26 WeakPolarHBondContact O-CG 3.18Å; S22-R26 PolarHBondContact O-N 3.45Å; S22-R26 VanDerWaalsContact O-N 3.1Å
23	E	63.7	Low	64.9	Low	155 Å²	155	103.1 Å²	103.1	72%	0.724	57%	0.573	S	S	*	*	H	α-helix	trans	-69.4	-42.8	177.1	-164.8	160	-154.3	0	0	112.5	T21 K25 R26 A27	T21-E23 PolarHBondContact O-N 3.15Å; T21-E23 VanDerWaalsContact O-N 3.11Å; E23-K25 PolarHBondContact O-N 2.88Å; E23-R26 PolarHBondContact O-N 2.06Å; E23-A27 PolarHBondContact O-N 3.23Å
24	A	62.9	Low	67.9	Low	50 Å²	50	100.8 Å²	100.8	41%	0.413	55%	0.554	S	S	.	*	H	α-helix	trans	-65.2	-38.4	174.9	0	0	0	0	0	112	T21 R26 A27 I28	T21-A24 PolarHBondContact O-N 2.75Å; T21-A24 VanDerWaalsContact O-N 3.07Å; A24-R26 VanDerWaalsContact C-N 3.33Å; A24-R26 PolarHBondContact O-N 2.88Å; A24-A27 PolarHBondContact O-N 3.13Å; A24-I28 PolarHBondContact O-N 3.33Å
25	K	63.4	Low	70.8	Confident	88 Å²	88	92.6 Å²	92.6	38%	0.383	53%	0.531	S	S	.	.	H	α-helix	trans	-59.6	-43.8	172.8	-80.4	-174.9	179.3	179.2	0	111.6	E20 T21 E23 C29	E20-K25 WeakPolarHBondContact OE2-CE 3.48Å; E20-K25 IonicContact OE2-NZ 3.19Å; T21-K25 PolarHBondContact O-N 3.38Å; E23-K25 PolarHBondContact O-N 2.88Å; K25-C29 PolarHBondContact O-SG 3.47Å
26	R	75.4	Confident	73.7	Confident	131 Å²	131	88.9 Å²	88.9	49%	0.494	50%	0.502	S	S	.	.	H	α-helix	trans	-67.7	-36.4	178	-75.5	178.6	178.8	160.2	1.6	112.4	S22 E23 A24 I28 C29 L30	S22-R26 WeakPolarHBondContact O-CG 3.18Å; S22-R26 PolarHBondContact O-N 3.45Å; S22-R26 VanDerWaalsContact O-N 3.1Å; E23-R26 PolarHBondContact O-N 2.06Å; A24-R26 VanDerWaalsContact C-N 3.33Å; A24-R26 PolarHBondContact O-N 2.88Å; R26-I28 VanDerWaalsContact C-N 3.29Å; R26-I28 PolarHBondContact O-N 3.11Å; R26-C29 WeakPolarHBondContact O-CB 3.3Å; R26-C29 PolarHBondContact O-N 2.96Å; R26-L30 WeakPolarHBondContact O-CG 2.98Å; R26-L30 PolarHBondContact O-N 2.91Å
27	A	87.7	Confident	76.4	Confident	54 Å²	54	85.7 Å²	85.7	45%	0.446	49%	0.492	S	S	.	.	H	α-helix	trans	-58.6	-41.3	178.7	0	0	0	0	0	112.1	E23 A24 C29 L30	E23-A27 PolarHBondContact O-N 3.23Å; A24-A27 PolarHBondContact O-N 3.13Å; A27-C29 VanDerWaalsContact C-N 3.27Å; A27-C29 PolarHBondContact O-N 2.96Å; A27-L30 PolarHBondContact O-N 3.18Å; A27-L30 VanDerWaalsContact O-N 3.15Å
28	I	92.8	Very high	78.8	Confident	44 Å²	44	84.3 Å²	84.3	23%	0.226	48%	0.477	C	S	.	.	H	α-helix	trans	-58.4	-42.3	175.4	-66.8	172.5	0	0	0	111	A24 R26 L30 L31 G66 N67 F69	A24-I28 PolarHBondContact O-N 3.33Å; R26-I28 VanDerWaalsContact C-N 3.29Å; R26-I28 PolarHBondContact O-N 3.11Å; I28-L30 PolarHBondContact O-N 2.71Å; I28-L31 WeakPolarHBondContact O-CB 3.17Å; I28-L31 WeakPolarHBondContact O-CG 3.21Å; I28-L31 PolarHBondContact O-N 3.35Å; I28-G66 WeakPolarHBondContact CG2-O 3.26Å; I28-N67 WeakPolarHBondContact O-CB 3.26Å; I28-F69 HydrophobicContact CG2-CZ 4.44Å
29	C	91.7	Very high	81.3	Confident	6 Å²	6	90.5 Å²	90.5	4%	0.041	49%	0.485	C	S	.	.	H	α-helix	trans	-70.7	-14	-178	-55.3	0	0	0	0	113.8	K25 R26 A27 Y47 C79	K25-C29 PolarHBondContact O-SG 3.47Å; R26-C29 WeakPolarHBondContact O-CB 3.3Å; R26-C29 PolarHBondContact O-N 2.96Å; A27-C29 VanDerWaalsContact C-N 3.27Å; A27-C29 PolarHBondContact O-N 2.96Å; C29-Y47 HydrophobicContact CB-CD1 4.05Å; C29-Y47 HydrophobicContact CB-CG 4.44Å; C29-Y47 WeakPolarHBondContact O-CD1 3.16Å; C29-C79 VanDerWaalsContact CA-SG 3.59Å; C29-C79 HydrophobicContact CB-CB 3.51Å; C29-C79 WeakPolarHBondContact CB-SG 2.99Å; C29-C79 WeakPolarHBondContact SG-CA 2.92Å; C29-C79 WeakPolarHBondContact SG-CB 3.3Å; C29-C79 CovalentContact SG-SG 2.03Å; C29-C79 PolarHBondContact SG-SG 3.48Å
30	L	91.5	Very high	83.5	Confident	122 Å²	122	89.3 Å²	89.3	64%	0.639	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-5.9	176	-63	176.4	0	0	0	112.8	R26 A27 I28 A49	R26-L30 WeakPolarHBondContact O-CG 2.98Å; R26-L30 PolarHBondContact O-N 2.91Å; A27-L30 PolarHBondContact O-N 3.18Å; A27-L30 VanDerWaalsContact O-N 3.15Å; I28-L30 PolarHBondContact O-N 2.71Å; L30-A49 HydrophobicContact CD2-CB 3.84Å
31	L	94.6	Very high	85.3	Confident	72 Å²	72	89.6 Å²	89.6	38%	0.377	48%	0.475	S	S	.	.	S	Bend	trans	-71.1	145.4	176.2	-57.7	172.2	0	0	0	110	I28 N65 N67	I28-L31 WeakPolarHBondContact O-CB 3.17Å; I28-L31 WeakPolarHBondContact O-CG 3.21Å; I28-L31 PolarHBondContact O-N 3.35Å; L31-N65 HydrophobicContact CD1-CB 4Å; L31-N67 HydrophobicContact CB-CB 4.06Å; L31-N67 PolarHBondContact O-ND2 3.46Å
32	E	94	Very high	86.9	Confident	133 Å²	133	87.5 Å²	87.5	62%	0.621	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-66.3	160.1	169.4	-73.2	-62.5	146.5	0	0	111.1	D34 N65	E32-D34 PolarHBondContact O-N 2.8Å; E32-N65 PolarHBondContact O-ND2 3.17Å
33	K	93.6	Very high	88.1	Confident	107 Å²	107	87.6 Å²	87.6	47%	0.465	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-61	138.7	168.9	53.3	168.6	-179	-66.8	0	110.4	F46 F57	K33-F46 HydrophobicContact CB-CB 4.13Å; K33-F46 HydrophobicContact CB-CD1 3.84Å; K33-F46 HydrophobicContact CB-CD2 3.67Å; K33-F46 HydrophobicContact CB-CE1 4.11Å; K33-F46 HydrophobicContact CB-CE2 3.96Å; K33-F46 HydrophobicContact CB-CG 3.61Å; K33-F46 HydrophobicContact CB-CZ 4.18Å; K33-F46 HydrophobicContact CD-CD1 4.22Å; K33-F46 HydrophobicContact CD-CE1 3.75Å; K33-F46 HydrophobicContact CD-CE2 4.44Å; K33-F46 HydrophobicContact CD-CZ 3.89Å; K33-F46 HydrophobicContact CG-CD1 4.43Å; K33-F46 HydrophobicContact CG-CD2 4.29Å; K33-F46 HydrophobicContact CG-CE1 4.19Å; K33-F46 HydrophobicContact CG-CE2 4.05Å; K33-F46 HydrophobicContact CG-CG 4.48Å; K33-F46 HydrophobicContact CG-CZ 4.01Å; K33-F57 HydrophobicContact CB-CB 4.37Å; K33-F57 HydrophobicContact CB-CD2 3.94Å; K33-F57 HydrophobicContact CB-CE2 4.33Å; K33-F57 HydrophobicContact CB-CG 4.04Å; K33-F57 HydrophobicContact CD-CB 3.66Å; K33-F57 HydrophobicContact CD-CD2 4.34Å; K33-F57 HydrophobicContact CD-CG 4.21Å
34	D	97.2	Very high	89.4	Confident	64 Å²	64	82.7 Å²	82.7	34%	0.342	44%	0.436	S	S	.	.			trans	-130.4	112.9	176.3	-173.5	-0.9	0	0	0	110.5	E32 G36 F57 G64 N65	E32-D34 PolarHBondContact O-N 2.8Å; D34-G36 PolarHBondContact O-N 3.46Å; D34-G36 PolarHBondContact OD1-N 3.22Å; D34-F57 WeakPolarHBondContact O-CE2 2.99Å; D34-G64 WeakPolarHBondContact OD2-CA 3.35Å; D34-N65 HydrophobicContact CB-CB 4.36Å; D34-N65 WeakPolarHBondContact CB-ND2 2.98Å
35	T	96.3	Very high	90.5	Very high	66 Å²	66	82 Å²	82	41%	0.405	42%	0.423	S	S	.	.			trans	-68.2	-24.9	177.6	-65.8	0	0	0	0	111.7	D58 Y59 G60	T35-D58 WeakPolarHBondContact CG2-O 3.22Å; T35-D58 PolarHBondContact OG1-O 3.25Å; T35-Y59 WeakPolarHBondContact O-CD2 3.37Å; T35-G60 WeakPolarHBondContact O-CA 3.24Å; T35-G60 PolarHBondContact O-N 2.82Å
36	G	97	Very high	91.8	Very high	21 Å²	21	78.1 Å²	78.1	22%	0.216	41%	0.406	C	S	.	.			trans	71.2	178	-171.3	0	0	0	0	0	113.2	D34	D34-G36 PolarHBondContact O-N 3.46Å; D34-G36 PolarHBondContact OD1-N 3.22Å
37	P	96.7	Very high	92.4	Very high	94 Å²	94	72.3 Å²	72.3	61%	0.61	38%	0.384	S	S	*	.	S	Bend	trans	-85.6	-16.4	-172	33.1	-33.7	0	0	0	113.9	D63	P37-D63 WeakPolarHBondContact CD-OD2 3.38Å; P37-D63 HydrophobicContact CG-CB 4.38Å; P37-D63 WeakPolarHBondContact CG-OD2 3.46Å
38	C	97.8	Very high	92.3	Very high	51 Å²	51	71.4 Å²	71.4	35%	0.345	37%	0.372	S	S	.	.			trans	-72	155.9	178.8	-74.8	0	0	0	0	112.3	G60 C62	C38-G60 CarbonylContact C-O 3.29Å; C38-G60 VanDerWaalsContact C-O 3.29Å; C38-G60 WeakPolarHBondContact CB-O 3.43Å; C38-G60 WeakPolarHBondContact O-CA 3.45Å; C38-C62 HydrophobicContact CB-CB 3.84Å; C38-C62 WeakPolarHBondContact CB-SG 3.18Å; C38-C62 WeakPolarHBondContact SG-CB 3.25Å; C38-C62 CovalentContact SG-SG 2.01Å; C38-C62 PolarHBondContact SG-SG 3.5Å
39	R	94.5	Very high	91.7	Very high	249 Å²	249	71.4 Å²	71.4	94%	0.94	38%	0.378	S	S	*	.			trans	-112.3	41.1	-172.5	-59.7	-175.9	-176.8	-178.4	0.5	113.2
40	S	93.2	Very high	90.8	Very high	67 Å²	67	75.5 Å²	75.5	47%	0.469	40%	0.403	S	S	.	.			trans	-95.2	158.6	166.6	-51.7	0	0	0	0	110	G60	S40-G60 WeakPolarHBondContact CA-O 3.4Å; S40-G60 WeakPolarHBondContact CB-O 3.27Å; S40-G60 PolarHBondContact N-O 3.25Å; S40-G60 VanDerWaalsContact O-CA 3.3Å; S40-G60 WeakPolarHBondContact O-CA 3.34Å; S40-G60 PolarHBondContact OG-O 2.88Å
41	I	89.8	Confident	89.6	Confident	135 Å²	135	70 Å²	70	69%	0.692	37%	0.374	S	S	*	.			trans	-109.1	94.5	169.2	-62	175.1	0	0	0	106.4	D58	I41-D58 HydrophobicContact CG2-CB 4.32Å
42	V	89.4	Confident	88.6	Confident	45 Å²	45	68.8 Å²	68.8	27%	0.273	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	107.4	177.2	-173.8	0	0	0	0	107.9	R44 Y59	V42-R44 HydrophobicContact CG1-CG 4.32Å; V42-R44 PolarHBondContact O-N 3.07Å; V42-Y59 HydrophobicContact CB-CD1 4.26Å; V42-Y59 WeakPolarHBondContact CB-O 3.15Å; V42-Y59 PolarHBondContact N-O 2.67Å; V42-Y59 WeakPolarHBondContact O-CB 3.46Å; V42-Y59 PolarHBondContact O-N 3.22Å
43	P	86	Confident	87.6	Confident	85 Å²	85	62.5 Å²	62.5	55%	0.552	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	121.9	176.9	-23.2	33.7	0	0	0	110.5	L56	P43-L56 HydrophobicContact CB-CD2 4.2Å
44	R	91.5	Very high	86.9	Confident	53 Å²	53	57.4 Å²	57.4	20%	0.2	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	164.2	177.7	-69.1	-68	-177.4	73.7	1.5	110.2	V42 L56 F57 Y59 N68 F69 N70	V42-R44 HydrophobicContact CG1-CG 4.32Å; V42-R44 PolarHBondContact O-N 3.07Å; R44-L56 CarbonylContact O-C 3.53Å; R44-L56 VanDerWaalsContact O-CA 3.26Å; R44-L56 WeakPolarHBondContact O-CA 2.93Å; R44-F57 HydrophobicContact CB-CD1 3.98Å; R44-F57 HydrophobicContact CB-CE1 3.43Å; R44-F57 VanDerWaalsContact CB-CE1 3.43Å; R44-F57 HydrophobicContact CB-CZ 3.87Å; R44-F57 PolarHBondContact N-O 2.73Å; R44-F57 VanDerWaalsContact O-CD1 3.29Å; R44-F57 WeakPolarHBondContact O-CD1 3.43Å; R44-F57 PolarHBondContact O-N 3.09Å; R44-Y59 HydrophobicContact CG-CD1 4.04Å; R44-Y59 HydrophobicContact CG-CG 4.09Å; R44-Y59 VanDerWaalsContact NH1-CD1 3.27Å; R44-N68 WeakPolarHBondContact CB-OD1 3.35Å; R44-N68 VanDerWaalsContact CD-OD1 3.3Å; R44-N68 WeakPolarHBondContact CD-OD1 3.16Å; R44-N68 WeakPolarHBondContact CG-OD1 3.4Å; R44-N68 PolarHBondContact NH1-OD1 2.01Å; R44-F69 WeakPolarHBondContact CD-O 3.09Å; R44-N70 PolarHBondContact NE-OD1 3.37Å; R44-N70 VanDerWaalsContact NE-OD1 3.17Å
45	Y	86.2	Confident	86.1	Confident	36 Å²	36	55.5 Å²	55.5	14%	0.141	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.1	176.1	-62.4	-90.4	0	0	0	110.2	M55 L56 N68 F69 T71 M72	Y45-M55 CarbonylContact C-O 3.51Å; Y45-M55 VanDerWaalsContact CA-O 3.27Å; Y45-M55 WeakPolarHBondContact CA-O 2.98Å; Y45-L56 HydrophobicContact CD1-CD2 3.97Å; Y45-L56 HydrophobicContact CD1-CG 4.06Å; Y45-L56 HydrophobicContact CD2-CD2 4.27Å; Y45-L56 HydrophobicContact CE1-CD1 4.4Å; Y45-L56 HydrophobicContact CE1-CD2 3.54Å; Y45-L56 HydrophobicContact CE1-CG 3.57Å; Y45-L56 HydrophobicContact CE2-CD2 3.88Å; Y45-L56 HydrophobicContact CG-CD2 4.32Å; Y45-N68 CarbonylContact O-C 3.56Å; Y45-N68 WeakPolarHBondContact O-CA 3.38Å; Y45-F69 PolarHBondContact N-O 3Å; Y45-F69 WeakPolarHBondContact O-CD2 3.11Å; Y45-F69 PolarHBondContact O-N 2.81Å; Y45-T71 VanDerWaalsContact CD2-C 3.42Å; Y45-M72 HydrophobicContact CD1-CB 4.32Å; Y45-M72 HydrophobicContact CD1-CE 3.67Å; Y45-M72 HydrophobicContact CD1-SD 4.44Å; Y45-M72 HydrophobicContact CE1-CB 4.1Å; Y45-M72 HydrophobicContact CE1-CE 3.57Å
46	F	91.6	Very high	85.4	Confident	5 Å²	5	54.6 Å²	54.6	2%	0.022	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.4	168.7	80	-75.8	0	0	0	109.2	K33 N48 C54 M55 F57 N67	K33-F46 HydrophobicContact CB-CB 4.13Å; K33-F46 HydrophobicContact CB-CD1 3.84Å; K33-F46 HydrophobicContact CB-CD2 3.67Å; K33-F46 HydrophobicContact CB-CE1 4.11Å; K33-F46 HydrophobicContact CB-CE2 3.96Å; K33-F46 HydrophobicContact CB-CG 3.61Å; K33-F46 HydrophobicContact CB-CZ 4.18Å; K33-F46 HydrophobicContact CD-CD1 4.22Å; K33-F46 HydrophobicContact CD-CE1 3.75Å; K33-F46 HydrophobicContact CD-CE2 4.44Å; K33-F46 HydrophobicContact CD-CZ 3.89Å; K33-F46 HydrophobicContact CG-CD1 4.43Å; K33-F46 HydrophobicContact CG-CD2 4.29Å; K33-F46 HydrophobicContact CG-CE1 4.19Å; K33-F46 HydrophobicContact CG-CE2 4.05Å; K33-F46 HydrophobicContact CG-CG 4.48Å; K33-F46 HydrophobicContact CG-CZ 4.01Å; F46-N48 HydrophobicContact CE2-CB 3.78Å; F46-N48 HydrophobicContact CZ-CB 4.12Å; F46-N48 PolarHBondContact O-N 3.36Å; F46-C54 CarbonylContact O-C 3.57Å; F46-C54 VanDerWaalsContact O-CA 3.27Å; F46-C54 WeakPolarHBondContact O-CA 3.38Å; F46-M55 HydrophobicContact CD1-CB 4.08Å; F46-M55 VanDerWaalsContact CD1-O 3.26Å; F46-M55 WeakPolarHBondContact CD1-O 3.38Å; F46-M55 HydrophobicContact CE1-CB 3.56Å; F46-M55 HydrophobicContact CZ-CB 4.1Å; F46-M55 HydrophobicContact CZ-SD 4.35Å; F46-M55 PolarHBondContact N-O 3.06Å; F46-M55 PolarHBondContact O-N 3.16Å; F46-F57 HydrophobicContact CB-CD1 3.79Å; F46-F57 HydrophobicContact CB-CE1 3.78Å; F46-F57 HydrophobicContact CD1-CB 3.8Å; F46-F57 AromaticContact CD1-CD1 3.63Å; F46-F57 HydrophobicContact CD1-CD1 3.63Å; F46-F57 HydrophobicContact CD1-CE1 4.48Å; F46-F57 AromaticContact CD1-CG 3.94Å; F46-F57 HydrophobicContact CD1-CG 3.94Å; F46-F57 HydrophobicContact CE1-CB 4.04Å; F46-F57 HydrophobicContact CG-CD1 4.12Å; F46-N67 WeakPolarHBondContact CA-O 3.29Å; F46-N67 WeakPolarHBondContact CB-O 3.08Å
47	Y	88.1	Confident	84.9	Confident	10 Å²	10	54.2 Å²	54.2	4%	0.039	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	119.9	171.5	-167.7	-106.9	0	0	0	110.5	C29 A49 D52 N67 C79	C29-Y47 HydrophobicContact CB-CD1 4.05Å; C29-Y47 HydrophobicContact CB-CG 4.44Å; C29-Y47 WeakPolarHBondContact O-CD1 3.16Å; Y47-A49 HydrophobicContact CD1-CB 4.27Å; Y47-A49 HydrophobicContact CE1-CB 4.2Å; Y47-D52 PolarHBondContact OH-OD1 2.78Å; Y47-N67 WeakPolarHBondContact CB-OD1 3.41Å; Y47-N67 PolarHBondContact N-ND2 2.99Å; Y47-N67 PolarHBondContact N-OD1 3.21Å; Y47-N67 PolarHBondContact O-ND2 3.08Å; Y47-C79 HydrophobicContact CD1-CB 3.88Å; Y47-C79 HydrophobicContact CD2-CB 3.37Å; Y47-C79 HydrophobicContact CE1-CB 4.39Å; Y47-C79 HydrophobicContact CE2-CB 3.95Å; Y47-C79 WeakPolarHBondContact CE2-O 3.48Å; Y47-C79 HydrophobicContact CG-CB 3.31Å; Y47-C79 PolarHBondContact OH-O 2.01Å
48	N	83.8	Confident	84.6	Confident	35 Å²	35	54.2 Å²	54.2	19%	0.187	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	103.9	169.8	-178.3	-23.7	0	0	0	108.4	F46 T50 A51 D52 L53 M55	F46-N48 HydrophobicContact CE2-CB 3.78Å; F46-N48 HydrophobicContact CZ-CB 4.12Å; F46-N48 PolarHBondContact O-N 3.36Å; N48-T50 PolarHBondContact O-N 2.82Å; N48-T50 WeakPolarHBondContact OD1-CB 3.19Å; N48-T50 PolarHBondContact OD1-N 3.13Å; N48-A51 HydrophobicContact CB-CB 3.89Å; N48-A51 CarbonylContact O-C 3.48Å; N48-A51 PolarHBondContact O-N 3.08Å; N48-A51 VanDerWaalsContact O-N 3.11Å; N48-A51 PolarHBondContact OD1-N 3.48Å; N48-D52 WeakPolarHBondContact O-CA 3.44Å; N48-D52 PolarHBondContact O-N 2.87Å; N48-L53 PolarHBondContact N-O 3.47Å; N48-L53 PolarHBondContact O-N 2.81Å; N48-M55 HydrophobicContact CB-CG 4.21Å; N48-M55 HydrophobicContact CB-SD 3.82Å; N48-M55 PolarHBondContact ND2-SD 3.02Å; N48-M55 VanDerWaalsContact ND2-SD 3.43Å
49	A	80.9	Confident	84.5	Confident	43 Å²	43	52.9 Å²	52.9	36%	0.355	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.6	-178.2	0	0	0	0	0	113.2	L30 Y47 D52	L30-A49 HydrophobicContact CD2-CB 3.84Å; Y47-A49 HydrophobicContact CD1-CB 4.27Å; Y47-A49 HydrophobicContact CE1-CB 4.2Å; A49-D52 PolarHBondContact O-N 2.91Å
50	T	73.8	Confident	84.6	Confident	93 Å²	93	41 Å²	41	57%	0.571	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-40	174.5	-61.5	0	0	0	0	110.7	N48 D52 R196	N48-T50 PolarHBondContact O-N 2.82Å; N48-T50 WeakPolarHBondContact OD1-CB 3.19Å; N48-T50 PolarHBondContact OD1-N 3.13Å; T50-D52 VanDerWaalsContact C-N 3.33Å; T50-R196 VanDerWaalsContact CG2-NH2 3.29Å; T50-R196 PolarHBondContact O-NH2 3.08Å
51	A	66.1	Low	84.7	Confident	5 Å²	5	39.7 Å²	39.7	4%	0.041	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-11.5	178.3	0	0	0	0	0	113.6	N48 L53 M55 A192	N48-A51 HydrophobicContact CB-CB 3.89Å; N48-A51 CarbonylContact O-C 3.48Å; N48-A51 PolarHBondContact O-N 3.08Å; N48-A51 VanDerWaalsContact O-N 3.11Å; N48-A51 PolarHBondContact OD1-N 3.48Å; A51-L53 HydrophobicContact CB-CD2 4Å; A51-L53 HydrophobicContact CB-CG 3.78Å; A51-L53 WeakPolarHBondContact O-CD2 3.48Å; A51-L53 PolarHBondContact O-N 2.78Å; A51-M55 HydrophobicContact CB-SD 4.41Å; A51-A192 HydrophobicContact CB-CB 3.41Å; A51-A192 VanDerWaalsContact CB-CB 3.41Å; A51-A192 WeakPolarHBondContact O-CB 3.07Å
52	D	72.4	Confident	85	Confident	47 Å²	47	35 Å²	35	25%	0.251	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	36.7	-175.2	-148.4	35.2	0	0	0	113.5	Y47 N48 A49 T50 K81	Y47-D52 PolarHBondContact OH-OD1 2.78Å; N48-D52 WeakPolarHBondContact O-CA 3.44Å; N48-D52 PolarHBondContact O-N 2.87Å; A49-D52 PolarHBondContact O-N 2.91Å; T50-D52 VanDerWaalsContact C-N 3.33Å; D52-K81 WeakPolarHBondContact OD1-CD 3.3Å; D52-K81 WeakPolarHBondContact OD1-CE 3.16Å; D52-K81 IonicContact OD1-NZ 3.53Å; D52-K81 PolarHBondContact OD1-NZ 3.12Å; D52-K81 VanDerWaalsContact OD2-CD 3.31Å; D52-K81 WeakPolarHBondContact OD2-CD 3.33Å; D52-K81 WeakPolarHBondContact OD2-CE 3.11Å; D52-K81 IonicContact OD2-NZ 2.78Å; D52-K81 PolarHBondContact OD2-NZ 3.21Å
53	L	72.7	Confident	85.3	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	155.3	-175.1	65.9	91.4	0	0	0	112.6	N48 A51 M55 P104 F177 A192	N48-L53 PolarHBondContact N-O 3.47Å; N48-L53 PolarHBondContact O-N 2.81Å; A51-L53 HydrophobicContact CB-CD2 4Å; A51-L53 HydrophobicContact CB-CG 3.78Å; A51-L53 WeakPolarHBondContact O-CD2 3.48Å; A51-L53 PolarHBondContact O-N 2.78Å; L53-M55 HydrophobicContact CD1-CB 4.44Å; L53-M55 HydrophobicContact CD1-CG 3.22Å; L53-M55 HydrophobicContact CD1-SD 4.15Å; L53-M55 HydrophobicContact CG-CG 4.38Å; L53-P104 HydrophobicContact CB-CG 3.78Å; L53-P104 HydrophobicContact CD2-CG 3.95Å; L53-P104 HydrophobicContact CG-CG 4.47Å; L53-F177 WeakPolarHBondContact CD1-O 3.21Å; L53-A192 HydrophobicContact CD2-CB 4.26Å
54	C	80.7	Confident	85.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127.7	172.6	-67.8	0	0	0	0	111.4	F46 M72 C75 M76	F46-C54 CarbonylContact O-C 3.57Å; F46-C54 VanDerWaalsContact O-CA 3.27Å; F46-C54 WeakPolarHBondContact O-CA 3.38Å; C54-M72 HydrophobicContact CB-CE 4.3Å; C54-M72 HydrophobicContact CB-SD 3.45Å; C54-M72 WeakPolarHBondContact CB-SD 3.42Å; C54-M72 WeakPolarHBondContact O-CE 3.33Å; C54-C75 HydrophobicContact CB-CB 3.67Å; C54-C75 WeakPolarHBondContact CB-SG 3.35Å; C54-C75 WeakPolarHBondContact SG-CB 3.35Å; C54-C75 CovalentContact SG-SG 2Å; C54-C75 PolarHBondContact SG-SG 3.5Å; C54-M76 HydrophobicContact CB-CG 4.12Å; C54-M76 HydrophobicContact CB-SD 3.9Å; C54-M76 PolarHBondContact SG-N 2.65Å
55	M	78.9	Confident	85.9	Confident	23 Å²	23	35.4 Å²	35.4	11%	0.113	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149.1	-178.3	-61.8	-175.2	76.5	0	0	110.6	Y45 F46 N48 A51 L53	Y45-M55 CarbonylContact C-O 3.51Å; Y45-M55 VanDerWaalsContact CA-O 3.27Å; Y45-M55 WeakPolarHBondContact CA-O 2.98Å; F46-M55 HydrophobicContact CD1-CB 4.08Å; F46-M55 VanDerWaalsContact CD1-O 3.26Å; F46-M55 WeakPolarHBondContact CD1-O 3.38Å; F46-M55 HydrophobicContact CE1-CB 3.56Å; F46-M55 HydrophobicContact CZ-CB 4.1Å; F46-M55 HydrophobicContact CZ-SD 4.35Å; F46-M55 PolarHBondContact N-O 3.06Å; F46-M55 PolarHBondContact O-N 3.16Å; N48-M55 HydrophobicContact CB-CG 4.21Å; N48-M55 HydrophobicContact CB-SD 3.82Å; N48-M55 PolarHBondContact ND2-SD 3.02Å; N48-M55 VanDerWaalsContact ND2-SD 3.43Å; A51-M55 HydrophobicContact CB-SD 4.41Å; L53-M55 HydrophobicContact CD1-CB 4.44Å; L53-M55 HydrophobicContact CD1-CG 3.22Å; L53-M55 HydrophobicContact CD1-SD 4.15Å; L53-M55 HydrophobicContact CG-CG 4.38Å
56	L	82.9	Confident	86.3	Confident	48 Å²	48	35.5 Å²	35.5	25%	0.251	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	142.9	167.3	-79.7	167.1	0	0	0	111.7	P43 R44 Y45 N178	P43-L56 HydrophobicContact CB-CD2 4.2Å; R44-L56 CarbonylContact O-C 3.53Å; R44-L56 VanDerWaalsContact O-CA 3.26Å; R44-L56 WeakPolarHBondContact O-CA 2.93Å; Y45-L56 HydrophobicContact CD1-CD2 3.97Å; Y45-L56 HydrophobicContact CD1-CG 4.06Å; Y45-L56 HydrophobicContact CD2-CD2 4.27Å; Y45-L56 HydrophobicContact CE1-CD1 4.4Å; Y45-L56 HydrophobicContact CE1-CD2 3.54Å; Y45-L56 HydrophobicContact CE1-CG 3.57Å; Y45-L56 HydrophobicContact CE2-CD2 3.88Å; Y45-L56 HydrophobicContact CG-CD2 4.32Å; L56-N178 PolarHBondContact N-OD1 3.12Å; L56-N178 VanDerWaalsContact N-OD1 3.16Å
57	F	86.7	Confident	86.5	Confident	13 Å²	13	35.3 Å²	35.3	6%	0.057	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	160.7	165.4	78.4	-71.2	0	0	0	110.6	K33 D34 R44 F46 Y59 N68	K33-F57 HydrophobicContact CB-CB 4.37Å; K33-F57 HydrophobicContact CB-CD2 3.94Å; K33-F57 HydrophobicContact CB-CE2 4.33Å; K33-F57 HydrophobicContact CB-CG 4.04Å; K33-F57 HydrophobicContact CD-CB 3.66Å; K33-F57 HydrophobicContact CD-CD2 4.34Å; K33-F57 HydrophobicContact CD-CG 4.21Å; D34-F57 WeakPolarHBondContact O-CE2 2.99Å; R44-F57 HydrophobicContact CB-CD1 3.98Å; R44-F57 HydrophobicContact CB-CE1 3.43Å; R44-F57 VanDerWaalsContact CB-CE1 3.43Å; R44-F57 HydrophobicContact CB-CZ 3.87Å; R44-F57 PolarHBondContact N-O 2.73Å; R44-F57 VanDerWaalsContact O-CD1 3.29Å; R44-F57 WeakPolarHBondContact O-CD1 3.43Å; R44-F57 PolarHBondContact O-N 3.09Å; F46-F57 HydrophobicContact CB-CD1 3.79Å; F46-F57 HydrophobicContact CB-CE1 3.78Å; F46-F57 HydrophobicContact CD1-CB 3.8Å; F46-F57 AromaticContact CD1-CD1 3.63Å; F46-F57 HydrophobicContact CD1-CD1 3.63Å; F46-F57 HydrophobicContact CD1-CE1 4.48Å; F46-F57 AromaticContact CD1-CG 3.94Å; F46-F57 HydrophobicContact CD1-CG 3.94Å; F46-F57 HydrophobicContact CE1-CB 4.04Å; F46-F57 HydrophobicContact CG-CD1 4.12Å; F57-Y59 PolarHBondContact O-N 3.22Å; F57-N68 HydrophobicContact CE1-CB 4.43Å; F57-N68 HydrophobicContact CZ-CB 3.98Å
58	D	89	Confident	86.9	Confident	94 Å²	94	36 Å²	36	50%	0.503	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	109	176.7	-62.9	-28.1	0	0	0	109.2	T35 I41	T35-D58 WeakPolarHBondContact CG2-O 3.22Å; T35-D58 PolarHBondContact OG1-O 3.25Å; I41-D58 HydrophobicContact CG2-CB 4.32Å
59	Y	95.7	Very high	87.3	Confident	23 Å²	23	34.5 Å²	34.5	9%	0.09	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.7	172.5	173.7	-123.7	0	0	0	110.3	T35 V42 R44 F57 G61 C62 D63 N68	T35-Y59 WeakPolarHBondContact O-CD2 3.37Å; V42-Y59 HydrophobicContact CB-CD1 4.26Å; V42-Y59 WeakPolarHBondContact CB-O 3.15Å; V42-Y59 PolarHBondContact N-O 2.67Å; V42-Y59 WeakPolarHBondContact O-CB 3.46Å; V42-Y59 PolarHBondContact O-N 3.22Å; R44-Y59 HydrophobicContact CG-CD1 4.04Å; R44-Y59 HydrophobicContact CG-CG 4.09Å; R44-Y59 VanDerWaalsContact NH1-CD1 3.27Å; F57-Y59 PolarHBondContact O-N 3.22Å; Y59-G61 VanDerWaalsContact CE1-C 3.49Å; Y59-G61 PolarHBondContact O-N 3.13Å; Y59-G61 VanDerWaalsContact O-N 3.15Å; Y59-C62 WeakPolarHBondContact CE2-O 3.43Å; Y59-C62 WeakPolarHBondContact OH-CA 3.21Å; Y59-C62 PolarHBondContact OH-N 2.92Å; Y59-C62 PolarHBondContact OH-O 3.27Å; Y59-D63 WeakPolarHBondContact CE2-O 3.37Å; Y59-D63 PolarHBondContact OH-N 3.16Å; Y59-D63 PolarHBondContact OH-O 2.77Å; Y59-N68 WeakPolarHBondContact CD2-ND2 3.34Å; Y59-N68 WeakPolarHBondContact CE2-ND2 3.38Å; Y59-N68 VanDerWaalsContact CG-ND2 3.34Å
60	G	96.5	Very high	87.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.228	C	C	.	.			trans	-65.9	-14	-177.1	0	0	0	0	0	114.4	T35 C38 S40	T35-G60 WeakPolarHBondContact O-CA 3.24Å; T35-G60 PolarHBondContact O-N 2.82Å; C38-G60 CarbonylContact C-O 3.29Å; C38-G60 VanDerWaalsContact C-O 3.29Å; C38-G60 WeakPolarHBondContact CB-O 3.43Å; C38-G60 WeakPolarHBondContact O-CA 3.45Å; S40-G60 WeakPolarHBondContact CA-O 3.4Å; S40-G60 WeakPolarHBondContact CB-O 3.27Å; S40-G60 PolarHBondContact N-O 3.25Å; S40-G60 VanDerWaalsContact O-CA 3.3Å; S40-G60 WeakPolarHBondContact O-CA 3.34Å; S40-G60 PolarHBondContact OG-O 2.88Å
61	G	95.6	Very high	88	Confident	39 Å²	39	34.9 Å²	34.9	40%	0.402	21%	0.213	S	C	.	.	S	Bend	trans	95	-5.2	178.1	0	0	0	0	0	114.9	Y59	Y59-G61 VanDerWaalsContact CE1-C 3.49Å; Y59-G61 PolarHBondContact O-N 3.13Å; Y59-G61 VanDerWaalsContact O-N 3.15Å
62	C	97	Very high	88.4	Confident	35 Å²	35	35.6 Å²	35.6	24%	0.236	22%	0.216	C	C	.	.	S	Bend	trans	-147	160.6	170.5	77.4	0	0	0	0	111.7	C38 Y59	C38-C62 HydrophobicContact CB-CB 3.84Å; C38-C62 WeakPolarHBondContact CB-SG 3.18Å; C38-C62 WeakPolarHBondContact SG-CB 3.25Å; C38-C62 CovalentContact SG-SG 2.01Å; C38-C62 PolarHBondContact SG-SG 3.5Å; Y59-C62 WeakPolarHBondContact CE2-O 3.43Å; Y59-C62 WeakPolarHBondContact OH-CA 3.21Å; Y59-C62 PolarHBondContact OH-N 2.92Å; Y59-C62 PolarHBondContact OH-O 3.27Å
63	D	95.5	Very high	88.4	Confident	117 Å²	117	38.2 Å²	38.2	63%	0.626	23%	0.227	S	C	*	.			trans	49.8	-137.2	-175.7	-52.3	-40.4	0	0	0	112.3	P37 Y59	P37-D63 WeakPolarHBondContact CD-OD2 3.38Å; P37-D63 HydrophobicContact CG-CB 4.38Å; P37-D63 WeakPolarHBondContact CG-OD2 3.46Å; Y59-D63 WeakPolarHBondContact CE2-O 3.37Å; Y59-D63 PolarHBondContact OH-N 3.16Å; Y59-D63 PolarHBondContact OH-O 2.77Å
64	G	93.5	Very high	88.8	Confident	29 Å²	29	41.9 Å²	41.9	30%	0.299	24%	0.244	S	C	.	.			trans	84.4	-162.7	-172.6	0	0	0	0	0	112.1	D34	D34-G64 WeakPolarHBondContact OD2-CA 3.35Å
65	N	96.4	Very high	89	Confident	47 Å²	47	41.9 Å²	41.9	25%	0.251	24%	0.244	S	C	.	.			trans	-121.8	178.2	179.5	74.1	39.9	0	0	0	112.2	L31 E32 D34 N67 N68	L31-N65 HydrophobicContact CD1-CB 4Å; E32-N65 PolarHBondContact O-ND2 3.17Å; D34-N65 HydrophobicContact CB-CB 4.36Å; D34-N65 WeakPolarHBondContact CB-ND2 2.98Å; N65-N67 PolarHBondContact O-N 3.19Å; N65-N67 WeakPolarHBondContact OD1-CB 3.27Å; N65-N67 PolarHBondContact OD1-N 2.78Å; N65-N68 WeakPolarHBondContact O-CB 3.28Å
66	G	94.9	Very high	89.1	Confident	38 Å²	38	42.6 Å²	42.6	39%	0.392	25%	0.247	S	C	.	.	S	Bend	trans	-71.1	-12	-174.1	0	0	0	0	0	115.3	I28 N68	I28-G66 WeakPolarHBondContact CG2-O 3.26Å; G66-N68 PolarHBondContact O-N 3.27Å
67	N	96.4	Very high	88.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.263	C	S	.	.			trans	-81.7	57.5	176.9	-160.9	8.3	0	0	0	110.4	I28 L31 F46 Y47 N65 F69	I28-N67 WeakPolarHBondContact O-CB 3.26Å; L31-N67 HydrophobicContact CB-CB 4.06Å; L31-N67 PolarHBondContact O-ND2 3.46Å; F46-N67 WeakPolarHBondContact CA-O 3.29Å; F46-N67 WeakPolarHBondContact CB-O 3.08Å; Y47-N67 WeakPolarHBondContact CB-OD1 3.41Å; Y47-N67 PolarHBondContact N-ND2 2.99Å; Y47-N67 PolarHBondContact N-OD1 3.21Å; Y47-N67 PolarHBondContact O-ND2 3.08Å; N65-N67 PolarHBondContact O-N 3.19Å; N65-N67 WeakPolarHBondContact OD1-CB 3.27Å; N65-N67 PolarHBondContact OD1-N 2.78Å; N67-F69 WeakPolarHBondContact OD1-CE2 3.5Å
68	N	96.1	Very high	88.7	Confident	26 Å²	26	47.5 Å²	47.5	14%	0.139	28%	0.275	C	S	.	.			trans	-149.8	106.6	-169.6	-176.3	-23.6	0	0	0	108.5	R44 Y45 F57 Y59 N65 G66	R44-N68 WeakPolarHBondContact CB-OD1 3.35Å; R44-N68 VanDerWaalsContact CD-OD1 3.3Å; R44-N68 WeakPolarHBondContact CD-OD1 3.16Å; R44-N68 WeakPolarHBondContact CG-OD1 3.4Å; R44-N68 PolarHBondContact NH1-OD1 2.01Å; Y45-N68 CarbonylContact O-C 3.56Å; Y45-N68 WeakPolarHBondContact O-CA 3.38Å; F57-N68 HydrophobicContact CE1-CB 4.43Å; F57-N68 HydrophobicContact CZ-CB 3.98Å; Y59-N68 WeakPolarHBondContact CD2-ND2 3.34Å; Y59-N68 WeakPolarHBondContact CE2-ND2 3.38Å; Y59-N68 VanDerWaalsContact CG-ND2 3.34Å; N65-N68 WeakPolarHBondContact O-CB 3.28Å; G66-N68 PolarHBondContact O-N 3.27Å
69	F	92.7	Very high	88.6	Confident	3 Å²	3	43.7 Å²	43.7	1%	0.013	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-124.5	149.4	-171.6	-54.2	-72.3	0	0	0	110.7	I28 R44 Y45 N67 E74 C75 K78	I28-F69 HydrophobicContact CG2-CZ 4.44Å; R44-F69 WeakPolarHBondContact CD-O 3.09Å; Y45-F69 PolarHBondContact N-O 3Å; Y45-F69 WeakPolarHBondContact O-CD2 3.11Å; Y45-F69 PolarHBondContact O-N 2.81Å; N67-F69 WeakPolarHBondContact OD1-CE2 3.5Å; F69-E74 HydrophobicContact CB-CB 4.33Å; F69-E74 HydrophobicContact CB-CG 4.21Å; F69-E74 HydrophobicContact CD1-CG 3.81Å; F69-E74 HydrophobicContact CG-CG 4.38Å; F69-C75 HydrophobicContact CB-CB 3.75Å; F69-C75 HydrophobicContact CD2-CB 3.31Å; F69-C75 WeakPolarHBondContact CD2-SG 3.42Å; F69-C75 HydrophobicContact CE2-CB 4.05Å; F69-C75 HydrophobicContact CG-CB 3.64Å; F69-K78 HydrophobicContact CE1-CB 4.31Å; F69-K78 HydrophobicContact CE1-CD 3.42Å; F69-K78 VanDerWaalsContact CE1-CD 3.42Å; F69-K78 HydrophobicContact CE1-CG 4.45Å; F69-K78 HydrophobicContact CZ-CB 4.35Å; F69-K78 HydrophobicContact CZ-CD 3.72Å; F69-K78 HydrophobicContact CZ-CG 4.5Å
70	N	87.3	Confident	87.7	Confident	101 Å²	101	43.1 Å²	43.1	54%	0.54	26%	0.256	S	S	.	.	S	Bend	trans	-79.3	-32.2	-178.2	-65.8	-57.8	0	0	0	111.9	R44 E74	R44-N70 PolarHBondContact NE-OD1 3.37Å; R44-N70 VanDerWaalsContact NE-OD1 3.17Å; N70-E74 PolarHBondContact N-OE2 3.29Å
71	T	80.8	Confident	86.2	Confident	43 Å²	43	49.2 Å²	49.2	26%	0.264	28%	0.283	S	S	.	.	S	Bend	trans	-127.3	155	-178.7	71.7	0	0	0	0	111.5	Y45 E73 E74 C75	Y45-T71 VanDerWaalsContact CD2-C 3.42Å; T71-E73 VanDerWaalsContact C-N 3.25Å; T71-E73 PolarHBondContact O-N 3.11Å; T71-E74 PolarHBondContact O-N 3.39Å; T71-E74 WeakPolarHBondContact OG1-CB 3.39Å; T71-E74 PolarHBondContact OG1-N 2.84Å; T71-E74 VanDerWaalsContact OG1-N 3.1Å; T71-C75 PolarHBondContact O-N 3.06Å
72	M	75.5	Confident	84.3	Confident	20 Å²	20	50.9 Å²	50.9	10%	0.099	30%	0.3	C	S	.	.	H	α-helix	trans	-56	-43.6	170.8	176.6	62.9	68.1	0	0	111.3	Y45 C54 C75 M76 F177 N178	Y45-M72 HydrophobicContact CD1-CB 4.32Å; Y45-M72 HydrophobicContact CD1-CE 3.67Å; Y45-M72 HydrophobicContact CD1-SD 4.44Å; Y45-M72 HydrophobicContact CE1-CB 4.1Å; Y45-M72 HydrophobicContact CE1-CE 3.57Å; C54-M72 HydrophobicContact CB-CE 4.3Å; C54-M72 HydrophobicContact CB-SD 3.45Å; C54-M72 WeakPolarHBondContact CB-SD 3.42Å; C54-M72 WeakPolarHBondContact O-CE 3.33Å; M72-C75 PolarHBondContact O-N 2.79Å; M72-M76 HydrophobicContact CG-CG 4.23Å; M72-M76 WeakPolarHBondContact O-CB 3.34Å; M72-M76 WeakPolarHBondContact O-CG 3.35Å; M72-M76 PolarHBondContact O-N 2.73Å; M72-M76 HydrophobicContact SD-CG 3.75Å; M72-M76 HydrophobicContact SD-SD 4.47Å; M72-F177 HydrophobicContact CE-CB 3.2Å; M72-F177 HydrophobicContact CE-CD1 4.1Å; M72-F177 HydrophobicContact CE-CD2 3.72Å; M72-F177 HydrophobicContact CE-CG 3.43Å; M72-F177 VanDerWaalsContact CE-CG 3.43Å; M72-F177 HydrophobicContact CG-CD1 4.38Å; M72-F177 HydrophobicContact CG-CD2 3.97Å; M72-F177 HydrophobicContact CG-CE1 4.37Å; M72-F177 HydrophobicContact CG-CE2 3.92Å; M72-F177 HydrophobicContact CG-CG 4.2Å; M72-F177 HydrophobicContact CG-CZ 4.14Å; M72-F177 HydrophobicContact SD-CB 3.91Å; M72-F177 HydrophobicContact SD-CD1 3.62Å; M72-F177 HydrophobicContact SD-CD2 3.95Å; M72-F177 HydrophobicContact SD-CE1 4.08Å; M72-F177 HydrophobicContact SD-CE2 4.34Å; M72-F177 HydrophobicContact SD-CG 3.57Å; M72-F177 VanDerWaalsContact SD-CG 3.57Å; M72-F177 HydrophobicContact SD-CZ 4.41Å; M72-N178 WeakPolarHBondContact CE-ND2 3.38Å
73	E	72.1	Confident	81.6	Confident	101 Å²	101	53.3 Å²	53.3	47%	0.472	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-44.8	-179	-177.6	177.9	-169.2	0	0	111.9	T71 C75 M76 T77 W149	T71-E73 VanDerWaalsContact C-N 3.25Å; T71-E73 PolarHBondContact O-N 3.11Å; E73-C75 PolarHBondContact O-N 3.43Å; E73-M76 PolarHBondContact O-N 3.38Å; E73-T77 WeakPolarHBondContact O-CB 3.44Å; E73-T77 PolarHBondContact O-N 3.1Å; E73-T77 PolarHBondContact O-OG1 3.4Å; E73-W149 HydrophobicContact CB-CH2 4.5Å; E73-W149 HydrophobicContact CG-CH2 4.47Å
74	E	80.7	Confident	79	Confident	80 Å²	80	53.2 Å²	53.2	37%	0.374	31%	0.313	S	S	.	.	H	α-helix	trans	-58.9	-49.1	176.4	-177.4	-174.1	-173.6	0	0	110.7	F69 N70 T71 T77 K78	F69-E74 HydrophobicContact CB-CB 4.33Å; F69-E74 HydrophobicContact CB-CG 4.21Å; F69-E74 HydrophobicContact CD1-CG 3.81Å; F69-E74 HydrophobicContact CG-CG 4.38Å; N70-E74 PolarHBondContact N-OE2 3.29Å; T71-E74 PolarHBondContact O-N 3.39Å; T71-E74 WeakPolarHBondContact OG1-CB 3.39Å; T71-E74 PolarHBondContact OG1-N 2.84Å; T71-E74 VanDerWaalsContact OG1-N 3.1Å; E74-T77 PolarHBondContact O-N 3.19Å; E74-K78 WeakPolarHBondContact O-CB 3.36Å; E74-K78 PolarHBondContact O-N 2.91Å; E74-K78 VanDerWaalsContact O-N 3.08Å
75	C	85.9	Confident	76.5	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.2	-49.4	178.6	-178.5	0	0	0	0	112	C54 F69 T71 M72 E73 T77 K78 C79	C54-C75 HydrophobicContact CB-CB 3.67Å; C54-C75 WeakPolarHBondContact CB-SG 3.35Å; C54-C75 WeakPolarHBondContact SG-CB 3.35Å; C54-C75 CovalentContact SG-SG 2Å; C54-C75 PolarHBondContact SG-SG 3.5Å; F69-C75 HydrophobicContact CB-CB 3.75Å; F69-C75 HydrophobicContact CD2-CB 3.31Å; F69-C75 WeakPolarHBondContact CD2-SG 3.42Å; F69-C75 HydrophobicContact CE2-CB 4.05Å; F69-C75 HydrophobicContact CG-CB 3.64Å; T71-C75 PolarHBondContact O-N 3.06Å; M72-C75 PolarHBondContact O-N 2.79Å; E73-C75 PolarHBondContact O-N 3.43Å; C75-T77 PolarHBondContact O-N 2.95Å; C75-K78 PolarHBondContact O-N 2.86Å; C75-C79 VanDerWaalsContact O-CB 3.32Å; C75-C79 WeakPolarHBondContact O-CB 3.5Å; C75-C79 PolarHBondContact O-N 2.89Å
76	M	79.8	Confident	73.6	Confident	37 Å²	37	59.3 Å²	59.3	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-69	-34.8	-177.7	-72.6	-61.8	-62.6	0	0	112.1	C54 M72 E73 K78 G80 F177	C54-M76 HydrophobicContact CB-CG 4.12Å; C54-M76 HydrophobicContact CB-SD 3.9Å; C54-M76 PolarHBondContact SG-N 2.65Å; M72-M76 HydrophobicContact CG-CG 4.23Å; M72-M76 WeakPolarHBondContact O-CB 3.34Å; M72-M76 WeakPolarHBondContact O-CG 3.35Å; M72-M76 PolarHBondContact O-N 2.73Å; M72-M76 HydrophobicContact SD-CG 3.75Å; M72-M76 HydrophobicContact SD-SD 4.47Å; E73-M76 PolarHBondContact O-N 3.38Å; M76-K78 VanDerWaalsContact C-N 3.3Å; M76-K78 PolarHBondContact O-N 3.1Å; M76-G80 VanDerWaalsContact O-CA 3.23Å; M76-G80 WeakPolarHBondContact O-CA 3.04Å; M76-G80 PolarHBondContact O-N 3.15Å; M76-F177 HydrophobicContact CE-CE1 4.3Å; M76-F177 HydrophobicContact CG-CE1 4.17Å; M76-F177 HydrophobicContact SD-CD1 4.42Å; M76-F177 HydrophobicContact SD-CE1 4.33Å
77	T	78.2	Confident	71.1	Confident	94 Å²	94	63.4 Å²	63.4	58%	0.577	36%	0.358	S	S	*	.	H	α-helix	trans	-65	-37.8	175.2	-60.7	0	0	0	0	111.1	E73 E74 C75	E73-T77 WeakPolarHBondContact O-CB 3.44Å; E73-T77 PolarHBondContact O-N 3.1Å; E73-T77 PolarHBondContact O-OG1 3.4Å; E74-T77 PolarHBondContact O-N 3.19Å; C75-T77 PolarHBondContact O-N 2.95Å
78	K	84.2	Confident	68.6	Low	71 Å²	71	71.4 Å²	71.4	31%	0.309	40%	0.4	S	S	.	.	H	α-helix	trans	-81.5	-38.3	-178.8	-160	176.5	-170.5	172.6	0	113.1	F69 E74 C75 M76	F69-K78 HydrophobicContact CE1-CB 4.31Å; F69-K78 HydrophobicContact CE1-CD 3.42Å; F69-K78 VanDerWaalsContact CE1-CD 3.42Å; F69-K78 HydrophobicContact CE1-CG 4.45Å; F69-K78 HydrophobicContact CZ-CB 4.35Å; F69-K78 HydrophobicContact CZ-CD 3.72Å; F69-K78 HydrophobicContact CZ-CG 4.5Å; E74-K78 WeakPolarHBondContact O-CB 3.36Å; E74-K78 PolarHBondContact O-N 2.91Å; E74-K78 VanDerWaalsContact O-N 3.08Å; C75-K78 PolarHBondContact O-N 2.86Å; M76-K78 VanDerWaalsContact C-N 3.3Å; M76-K78 PolarHBondContact O-N 3.1Å
79	C	86.2	Confident	66.2	Low	14 Å²	14	78 Å²	78	10%	0.095	44%	0.436	C	S	.	.	H	α-helix	trans	-119.2	-18.5	-166.8	-62.1	0	0	0	0	115.2	C29 Y47 C75	C29-C79 VanDerWaalsContact CA-SG 3.59Å; C29-C79 HydrophobicContact CB-CB 3.51Å; C29-C79 WeakPolarHBondContact CB-SG 2.99Å; C29-C79 WeakPolarHBondContact SG-CA 2.92Å; C29-C79 WeakPolarHBondContact SG-CB 3.3Å; C29-C79 CovalentContact SG-SG 2.03Å; C29-C79 PolarHBondContact SG-SG 3.48Å; Y47-C79 HydrophobicContact CD1-CB 3.88Å; Y47-C79 HydrophobicContact CD2-CB 3.37Å; Y47-C79 HydrophobicContact CE1-CB 4.39Å; Y47-C79 HydrophobicContact CE2-CB 3.95Å; Y47-C79 WeakPolarHBondContact CE2-O 3.48Å; Y47-C79 HydrophobicContact CG-CB 3.31Å; Y47-C79 PolarHBondContact OH-O 2.01Å; C75-C79 VanDerWaalsContact O-CB 3.32Å; C75-C79 WeakPolarHBondContact O-CB 3.5Å; C75-C79 PolarHBondContact O-N 2.89Å
80	G	76.5	Confident	63.9	Low	11 Å²	11	82.5 Å²	82.5	11%	0.113	46%	0.46	C	S	.	.	S	Bend	trans	-70.5	143.4	-178.8	0	0	0	0	0	112.6	M76 G82	M76-G80 VanDerWaalsContact O-CA 3.23Å; M76-G80 WeakPolarHBondContact O-CA 3.04Å; M76-G80 PolarHBondContact O-N 3.15Å; G80-G82 PolarHBondContact O-N 3Å
81	K	66	Low	62.1	Low	127 Å²	127	85.5 Å²	85.5	55%	0.552	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	7.7	-178.9	-67.5	-171.2	-174.5	143.8	0	115.9	D52	D52-K81 WeakPolarHBondContact OD1-CD 3.3Å; D52-K81 WeakPolarHBondContact OD1-CE 3.16Å; D52-K81 IonicContact OD1-NZ 3.53Å; D52-K81 PolarHBondContact OD1-NZ 3.12Å; D52-K81 VanDerWaalsContact OD2-CD 3.31Å; D52-K81 WeakPolarHBondContact OD2-CD 3.33Å; D52-K81 WeakPolarHBondContact OD2-CE 3.11Å; D52-K81 IonicContact OD2-NZ 2.78Å; D52-K81 PolarHBondContact OD2-NZ 3.21Å
82	G	54.5	Low	60.2	Low	74 Å²	74	91.4 Å²	91.4	76%	0.763	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-13.2	177.7	0	0	0	0	0	115.3	G80 H84	G80-G82 PolarHBondContact O-N 3Å; G82-H84 VanDerWaalsContact C-N 3.33Å; G82-H84 PolarHBondContact O-N 2.9Å
83	S	41.6	Very low	58.9	Low	86 Å²	86	95.4 Å²	95.4	60%	0.601	52%	0.521	S	S	*	.			trans	-96.1	43.9	-179.2	-165.1	0	0	0	0	112.6	I85	S83-I85 VanDerWaalsContact C-N 3.25Å; S83-I85 PolarHBondContact O-N 3.15Å
84	H	40.9	Very low	58	Low	115 Å²	115	96 Å²	96	53%	0.532	53%	0.531	S	S	.	.			trans	-76.6	81.1	164.9	-92.2	-88.8	0	0	0	109.3	G82	G82-H84 VanDerWaalsContact C-N 3.33Å; G82-H84 PolarHBondContact O-N 2.9Å
85	I	39.9	Very low	57	Low	171 Å²	171	94.8 Å²	94.8	88%	0.877	54%	0.535	S	S	*	.			trans	-100.5	107.5	141.6	-60.9	-178.6	0	0	0	104.8	S83	S83-I85 VanDerWaalsContact C-N 3.25Å; S83-I85 PolarHBondContact O-N 3.15Å
86	G	36.3	Very low	56.3	Low	34 Å²	34	97.3 Å²	97.3	35%	0.351	55%	0.548	S	S	.	.	S	Bend	trans	128.3	77.5	176.8	0	0	0	0	0	113.1
87	N	41.7	Very low	56	Low	124 Å²	124	95.7 Å²	95.7	66%	0.663	54%	0.541	S	S	*	.				173	82.5	120.3	-79	-10.9	0	0	0	106.1	D89 D90	N87-D89 PolarHBondContact O-N 3.08Å; N87-D90 PolarHBondContact O-N 3.18Å
88	D	44	Very low	55.7	Low	167 Å²	167	96.7 Å²	96.7	89%	0.893	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	24.8	176	-69.3	-52.7	0	0	0	113.4
89	D	45.9	Very low	55	Low	166 Å²	166	99.3 Å²	99.3	89%	0.888	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.2	5.8	177.9	-76.9	-45	0	0	0	113.3	N87	N87-D89 PolarHBondContact O-N 3.08Å
90	D	44	Very low	54.1	Low	96 Å²	96	102.5 Å²	102.5	51%	0.513	58%	0.579	S	S	.	*			trans	-91.6	109.6	162.2	-122.4	-26	0	0	0	105.9	N87 R92	N87-D90 PolarHBondContact O-N 3.18Å; D90-R92 HydrophobicContact CB-CB 4.31Å; D90-R92 PolarHBondContact O-N 3.04Å; D90-R92 IonicContact OD1-NH2 3.66Å; D90-R92 IonicContact OD2-CZ 3.72Å; D90-R92 IonicContact OD2-NH1 3.16Å; D90-R92 IonicContact OD2-NH2 2.86Å; D90-R92 PolarHBondContact OD2-NH2 3.03Å
91	D	48.8	Very low	53.5	Low	165 Å²	165	103.3 Å²	103.3	88%	0.882	59%	0.588	S	S	*	*			trans	-60.9	38.9	165.6	-173.4	37.1	0	0	0	111.3	P93	D91-P93 VanDerWaalsContact O-CD 3.26Å; D91-P93 WeakPolarHBondContact O-CD 3.45Å
92	R	42.2	Very low	53.4	Low	167 Å²	167	98 Å²	98	63%	0.63	57%	0.566	S	S	*	*			trans	-84.6	107.7	174.6	-161.7	172.4	-64.7	143.8	12.5	105	D90 V94	D90-R92 HydrophobicContact CB-CB 4.31Å; D90-R92 PolarHBondContact O-N 3.04Å; D90-R92 IonicContact OD1-NH2 3.66Å; D90-R92 IonicContact OD2-CZ 3.72Å; D90-R92 IonicContact OD2-NH1 3.16Å; D90-R92 IonicContact OD2-NH2 2.86Å; D90-R92 PolarHBondContact OD2-NH2 3.03Å; R92-V94 PolarHBondContact O-N 2.88Å
93	P	47.5	Very low	53.6	Low	104 Å²	104	96.2 Å²	96.2	68%	0.675	54%	0.541	S	S	*	.			trans	-52.4	138.1	-177.3	19.6	-30.7	0	0	0	108.8	D91 A95	D91-P93 VanDerWaalsContact O-CD 3.26Å; D91-P93 WeakPolarHBondContact O-CD 3.45Å; P93-A95 VanDerWaalsContact O-CA 3.29Å; P93-A95 WeakPolarHBondContact O-CA 3.29Å; P93-A95 PolarHBondContact O-N 3.07Å
94	V	54.4	Low	54.5	Low	112 Å²	112	92.4 Å²	92.4	68%	0.679	52%	0.515	S	S	*	.	S	Bend	trans	-34.7	108.8	170	174.4	0	0	0	0	106.9	R92 D96	R92-V94 PolarHBondContact O-N 2.88Å; V94-D96 PolarHBondContact O-N 2.03Å
95	A	58.6	Low	55.7	Low	55 Å²	55	87.4 Å²	87.4	46%	0.455	49%	0.492	S	S	.	.			trans	-61	102.5	-160.1	0	0	0	0	0	108.8	P93 C97 T100	P93-A95 VanDerWaalsContact O-CA 3.29Å; P93-A95 WeakPolarHBondContact O-CA 3.29Å; P93-A95 PolarHBondContact O-N 3.07Å; A95-C97 PolarHBondContact O-N 2.67Å; A95-T100 HydrophobicContact CB-CG2 3.83Å
96	D	70.9	Confident	57.1	Low	53 Å²	53	81.7 Å²	81.7	28%	0.283	46%	0.462	S	S	.	.			trans	-57.9	117.5	174.1	-173.7	-27.9	0	0	0	106.4	V94 H98 V99 T100	V94-D96 PolarHBondContact O-N 2.03Å; D96-H98 PolarHBondContact O-N 3.35Å; D96-H98 WeakPolarHBondContact OD1-CB 3.35Å; D96-H98 IonicContact OD1-CG 3.07Å; D96-H98 PolarHBondContact OD1-N 3.06Å; D96-V99 HydrophobicContact CB-CG2 4.37Å; D96-V99 PolarHBondContact O-N 3.43Å; D96-T100 PolarHBondContact O-N 2.76Å; D96-T100 PolarHBondContact O-OG1 2.71Å
97	C	74.3	Confident	58.9	Low	4 Å²	4	82 Å²	82	3%	0.027	46%	0.455	C	S	.	.	H	α-helix	trans	-71.8	-10.4	-175.1	55.3	0	0	0	0	113.3	A95 V99 G101 C102 C108 Y124 S125 C126	A95-C97 PolarHBondContact O-N 2.67Å; C97-V99 VanDerWaalsContact C-N 3.25Å; C97-G101 WeakPolarHBondContact O-CA 3.32Å; C97-G101 PolarHBondContact O-N 2.81Å; C97-C102 WeakPolarHBondContact CB-SG 3.39Å; C97-C108 HydrophobicContact CB-CB 3.85Å; C97-C108 WeakPolarHBondContact CB-SG 3.35Å; C97-C108 WeakPolarHBondContact SG-CA 3.27Å; C97-C108 WeakPolarHBondContact SG-CB 3.35Å; C97-C108 CovalentContact SG-SG 2.03Å; C97-C108 PolarHBondContact SG-SG 3.45Å; C97-Y124 PolarHBondContact N-O 2.84Å; C97-Y124 WeakPolarHBondContact SG-CB 3.12Å; C97-Y124 PolarHBondContact SG-O 3.37Å; C97-S125 VanDerWaalsContact SG-C 3.55Å; C97-C126 WeakPolarHBondContact CB-SG 3.42Å
98	H	71.9	Confident	60.4	Low	115 Å²	115	77.9 Å²	77.9	53%	0.532	44%	0.436	S	S	.	.	H	α-helix	trans	-69.2	-28.3	166.5	-74	169.5	0	0	0	112.3	D96 C108 Y124	D96-H98 PolarHBondContact O-N 3.35Å; D96-H98 WeakPolarHBondContact OD1-CB 3.35Å; D96-H98 IonicContact OD1-CG 3.07Å; D96-H98 PolarHBondContact OD1-N 3.06Å; H98-C108 PolarHBondContact CD2-SG 3.33Å; H98-C108 PolarHBondContact N-SG 3.16Å; H98-C108 VanDerWaalsContact N-SG 3.37Å; H98-Y124 AromaticContact CE1-CD1 3.38Å; H98-Y124 WeakPolarHBondContact CE1-CD1 3.37Å; H98-Y124 AromaticContact CE1-CD2 3.36Å; H98-Y124 WeakPolarHBondContact CE1-CD2 3.43Å; H98-Y124 AromaticContact CE1-CE1 3.21Å; H98-Y124 WeakPolarHBondContact CE1-CE1 3.18Å; H98-Y124 AromaticContact CE1-CE2 3.21Å; H98-Y124 WeakPolarHBondContact CE1-CE2 3Å; H98-Y124 AromaticContact CE1-CG 3.48Å; H98-Y124 VanDerWaalsContact CE1-CG 3.48Å; H98-Y124 AromaticContact CE1-CZ 3.14Å; H98-Y124 AromaticContact ND1-CD2 3.27Å; H98-Y124 VanDerWaalsContact ND1-CD2 3.27Å; H98-Y124 WeakPolarHBondContact ND1-CD2 3.29Å; H98-Y124 AromaticContact ND1-CE2 3.41Å; H98-Y124 WeakPolarHBondContact ND1-CE2 3.14Å; H98-Y124 AromaticContact ND1-CG 3.65Å; H98-Y124 AromaticContact ND1-CZ 3.87Å; H98-Y124 AromaticContact NE2-CD1 3.42Å; H98-Y124 WeakPolarHBondContact NE2-CD1 2.84Å; H98-Y124 AromaticContact NE2-CE1 3.51Å; H98-Y124 AromaticContact NE2-CG 3.77Å; H98-Y124 AromaticContact NE2-CZ 3.94Å
99	V	68.2	Low	62.1	Low	126 Å²	126	72.6 Å²	72.6	76%	0.764	41%	0.408	S	S	*	.	H	α-helix	trans	-92.3	-49.4	179.3	-178.3	0	0	0	0	110.6	D96 C97	D96-V99 HydrophobicContact CB-CG2 4.37Å; D96-V99 PolarHBondContact O-N 3.43Å; C97-V99 VanDerWaalsContact C-N 3.25Å
100	T	67.2	Low	63.7	Low	80 Å²	80	67 Å²	67	49%	0.491	38%	0.38	S	S	.	.	H	α-helix	trans	-87.2	-21.4	-174.2	55	0	0	0	0	113.2	A95 D96	A95-T100 HydrophobicContact CB-CG2 3.83Å; D96-T100 PolarHBondContact O-N 2.76Å; D96-T100 PolarHBondContact O-OG1 2.71Å
101	G	64	Low	65.2	Low	28 Å²	28	66.1 Å²	66.1	29%	0.289	38%	0.378	S	S	.	.			trans	70.5	152.4	-171	0	0	0	0	0	112.2	C97	C97-G101 WeakPolarHBondContact O-CA 3.32Å; C97-G101 PolarHBondContact O-N 2.81Å
102	C	65.3	Low	66.2	Low	15 Å²	15	65.6 Å²	65.6	10%	0.101	37%	0.368	C	S	.	.			trans	-86.4	151.8	178.4	-73	0	0	0	0	113.8	C97 H106 C126 R195	C97-C102 WeakPolarHBondContact CB-SG 3.39Å; C102-H106 HydrophobicContact CB-CB 3.73Å; C102-H106 WeakPolarHBondContact CB-O 3.5Å; C102-C126 WeakPolarHBondContact CA-SG 3.46Å; C102-C126 HydrophobicContact CB-CB 3.9Å; C102-C126 WeakPolarHBondContact CB-SG 2.84Å; C102-C126 WeakPolarHBondContact SG-CA 3.41Å; C102-C126 WeakPolarHBondContact SG-CB 3.18Å; C102-C126 CovalentContact SG-SG 2.05Å; C102-C126 PolarHBondContact SG-SG 3.34Å; C102-R195 PolarHBondContact O-NH1 2.69Å; C102-R195 PolarHBondContact O-NH2 3.39Å
103	P	59	Low	67.5	Low	37 Å²	37	65.4 Å²	65.4	24%	0.24	38%	0.379	C	S	.	.			trans	-55.3	158.6	164	-21.7	32.7	0	0	0	110.7	H106	P103-H106 WeakPolarHBondContact O-CB 3.14Å; P103-H106 PolarHBondContact O-N 2.79Å
104	P	60.7	Low	68.5	Low	6 Å²	6	69.1 Å²	69.1	4%	0.039	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.6	145.9	164.3	-33.2	40.6	0	0	0	112.4	L53 H106 C176 F177	L53-P104 HydrophobicContact CB-CG 3.78Å; L53-P104 HydrophobicContact CD2-CG 3.95Å; L53-P104 HydrophobicContact CG-CG 4.47Å; P104-H106 PolarHBondContact O-N 2.85Å; P104-H106 PolarHBondContact O-ND1 3.49Å; P104-C176 HydrophobicContact CB-CB 4.3Å; P104-C176 WeakPolarHBondContact CB-O 3.05Å; P104-F177 HydrophobicContact CB-CD1 3.34Å; P104-F177 HydrophobicContact CB-CE1 3.64Å; P104-F177 HydrophobicContact CB-CG 4.02Å; P104-F177 HydrophobicContact CG-CD1 4.07Å
105	C	64.1	Low	69.2	Low	10 Å²	10	67 Å²	67	7%	0.068	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	0.9	-177.6	-78.3	0	0	0	0	117.4	R129 C130 C176 F177	C105-R129 PolarHBondContact O-N 3.18Å; C105-C130 VanDerWaalsContact CA-SG 3.58Å; C105-C130 HydrophobicContact CB-CB 3.35Å; C105-C130 WeakPolarHBondContact CB-SG 3.31Å; C105-C130 WeakPolarHBondContact SG-CB 3.41Å; C105-C130 CovalentContact SG-SG 2Å; C105-C130 PolarHBondContact SG-SG 3.29Å; C105-C176 HydrophobicContact CB-CB 4.33Å; C105-C176 WeakPolarHBondContact SG-CB 3.35Å; C105-C176 PolarHBondContact SG-SG 2.95Å; C105-F177 HydrophobicContact CB-CE1 4.37Å; C105-F177 HydrophobicContact CB-CE2 4.33Å; C105-F177 HydrophobicContact CB-CZ 3.77Å; C105-F177 WeakPolarHBondContact SG-CE2 3.3Å; C105-F177 WeakPolarHBondContact SG-CZ 3.08Å
106	H	71.2	Confident	69.5	Low	52 Å²	52	68 Å²	68	24%	0.241	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.7	179.9	-64	64.2	0	0	0	110.3	C102 P103 P104 C126 K127 N128	C102-H106 HydrophobicContact CB-CB 3.73Å; C102-H106 WeakPolarHBondContact CB-O 3.5Å; P103-H106 WeakPolarHBondContact O-CB 3.14Å; P103-H106 PolarHBondContact O-N 2.79Å; P104-H106 PolarHBondContact O-N 2.85Å; P104-H106 PolarHBondContact O-ND1 3.49Å; H106-C126 HydrophobicContact CB-CB 3.88Å; H106-K127 WeakPolarHBondContact CA-O 3.34Å; H106-N128 WeakPolarHBondContact CD2-CA 2.99Å; H106-N128 PolarHBondContact CD2-N 3.49Å; H106-N128 VanDerWaalsContact CD2-N 3.25Å; H106-N128 VanDerWaalsContact NE2-CB 3.33Å; H106-N128 WeakPolarHBondContact NE2-CB 3.37Å
107	D	72.2	Confident	69.8	Low	39 Å²	39	75 Å²	75	21%	0.209	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	143.9	169.6	-71.3	-5.9	0	0	0	109.8	L109 K127 R129	D107-L109 HydrophobicContact CB-CD2 4.15Å; D107-L109 HydrophobicContact CB-CG 4Å; D107-L109 PolarHBondContact O-N 2.91Å; D107-K127 PolarHBondContact N-O 2.79Å; D107-K127 VanDerWaalsContact N-O 3.11Å; D107-K127 PolarHBondContact O-N 2.75Å; D107-R129 VanDerWaalsContact CB-NE 3.28Å; D107-R129 VanDerWaalsContact OD2-CD 3.23Å; D107-R129 WeakPolarHBondContact OD2-CD 3.01Å; D107-R129 IonicContact OD2-CZ 2.62Å; D107-R129 IonicContact OD2-NE 2.88Å; D107-R129 PolarHBondContact OD2-NE 3.02Å; D107-R129 IonicContact OD2-NH2 3.23Å; D107-R129 PolarHBondContact OD2-NH2 3.03Å
108	C	74.2	Confident	69.7	Low	39 Å²	39	79.1 Å²	79.1	26%	0.264	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	103.7	171.4	-169.9	0	0	0	0	109.3	C97 H98 Y124	C97-C108 HydrophobicContact CB-CB 3.85Å; C97-C108 WeakPolarHBondContact CB-SG 3.35Å; C97-C108 WeakPolarHBondContact SG-CA 3.27Å; C97-C108 WeakPolarHBondContact SG-CB 3.35Å; C97-C108 CovalentContact SG-SG 2.03Å; C97-C108 PolarHBondContact SG-SG 3.45Å; H98-C108 PolarHBondContact CD2-SG 3.33Å; H98-C108 PolarHBondContact N-SG 3.16Å; H98-C108 VanDerWaalsContact N-SG 3.37Å; C108-Y124 WeakPolarHBondContact SG-CB 3.05Å
109	L	79.1	Confident	69.5	Low	56 Å²	56	80.5 Å²	80.5	29%	0.293	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.8	-175.5	-63.2	178.1	0	0	0	111.5	D107 T111 Y124 S125 K127	D107-L109 HydrophobicContact CB-CD2 4.15Å; D107-L109 HydrophobicContact CB-CG 4Å; D107-L109 PolarHBondContact O-N 2.91Å; L109-T111 PolarHBondContact O-N 2.82Å; L109-Y124 CarbonylContact O-C 3.58Å; L109-Y124 VanDerWaalsContact O-CA 3.25Å; L109-Y124 WeakPolarHBondContact O-CA 3.32Å; L109-S125 PolarHBondContact N-O 2Å; L109-S125 VanDerWaalsContact N-O 3.12Å; L109-S125 PolarHBondContact O-N 2.7Å; L109-K127 HydrophobicContact CD1-CB 3.89Å; L109-K127 HydrophobicContact CD1-CG 4.3Å
110	P	79.8	Confident	69.3	Low	47 Å²	47	80.2 Å²	80.2	31%	0.305	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	125.5	175.5	26.7	-32.2	0	0	0	109.4	K112 L113 P122 Y124	P110-K112 PolarHBondContact O-N 3.35Å; P110-L113 HydrophobicContact CG-CD2 4.13Å; P110-P122 HydrophobicContact CB-CB 4.1Å; P110-P122 HydrophobicContact CB-CG 3.64Å; P110-Y124 HydrophobicContact CB-CD1 4.08Å; P110-Y124 HydrophobicContact CB-CE1 3.67Å; P110-Y124 HydrophobicContact CG-CE1 4.06Å; P110-Y124 VanDerWaalsContact N-CD1 3.28Å
111	T	75.3	Confident	69.1	Low	78 Å²	78	80.7 Å²	80.7	48%	0.479	46%	0.461	S	S	.	.	S	Bend	trans	-72.7	-22.5	178.5	-48.1	0	0	0	0	111.4	L109 Q123 S125	L109-T111 PolarHBondContact O-N 2.82Å; T111-Q123 WeakPolarHBondContact CA-O 3.37Å; T111-Q123 WeakPolarHBondContact CB-O 2.91Å; T111-Q123 PolarHBondContact N-O 3.26Å; T111-Q123 PolarHBondContact OG1-O 3.48Å; T111-S125 WeakPolarHBondContact OG1-CB 3.38Å; T111-S125 PolarHBondContact OG1-N 3.48Å; T111-S125 PolarHBondContact OG1-OG 3.2Å
112	K	70	Confident	69.2	Low	155 Å²	155	80.2 Å²	80.2	67%	0.674	45%	0.452	S	S	*	.			trans	-133.3	144.3	170.5	-67.7	-164.7	176.8	-174.7	0	110.2	P110 P122	P110-K112 PolarHBondContact O-N 3.35Å; K112-P122 HydrophobicContact CB-CB 4.13Å; K112-P122 WeakPolarHBondContact O-CB 3.38Å; K112-P122 WeakPolarHBondContact O-CG 3.45Å
113	L	68.9	Low	69.5	Low	162 Å²	162	85.8 Å²	85.8	85%	0.848	48%	0.477	S	S	*	.	S	Bend	trans	-88.6	-16.8	179.2	-66	171.6	0	0	0	113.4	P110	P110-L113 HydrophobicContact CG-CD2 4.13Å
114	K	69.5	Low	70.4	Confident	183 Å²	183	86.5 Å²	86.5	80%	0.796	48%	0.475	S	S	*	.			trans	-115.7	124.7	-176.9	-64.4	-174.9	179.7	-176.9	0	110.6
115	C	68.6	Low	71.1	Confident	67 Å²	67	88.4 Å²	88.4	45%	0.453	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-83.9	132.9	172.9	-48.7	0	0	0	0	109.7	P122	C115-P122 WeakPolarHBondContact SG-CD 2.95Å
116	P	64.7	Low	71.6	Confident	77 Å²	77	90 Å²	90	50%	0.5	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-67.1	143.2	164.3	-14.2	29	0	0	0	110.6	G118 K119	P116-G118 PolarHBondContact O-N 3.48Å; P116-K119 HydrophobicContact CB-CB 4.18Å; P116-K119 HydrophobicContact CB-CD 4.14Å; P116-K119 HydrophobicContact CB-CG 4.24Å; P116-K119 HydrophobicContact CG-CB 4.34Å; P116-K119 HydrophobicContact CG-CD 4.22Å; P116-K119 PolarHBondContact O-N 2Å; P116-K119 VanDerWaalsContact O-N 3.08Å
117	E	77.1	Confident	71.8	Confident	198 Å²	198	93.6 Å²	93.6	93%	0.925	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	132.7	176.4	-79	174.1	161.1	0	0	111.6	K119	E117-K119 PolarHBondContact O-N 3.44Å
118	G	73.5	Confident	71.6	Confident	91 Å²	91	95.6 Å²	95.6	94%	0.938	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	0	-179.4	0	0	0	0	0	115.3	P116	P116-G118 PolarHBondContact O-N 3.48Å
119	K	66.5	Low	71.4	Confident	145 Å²	145	98.2 Å²	98.2	63%	0.63	53%	0.53	S	S	*	.	S	Bend	trans	-102.9	143.8	172.5	-64.5	-165.9	178.9	-173.8	0	110.6	P116 E117	P116-K119 HydrophobicContact CB-CB 4.18Å; P116-K119 HydrophobicContact CB-CD 4.14Å; P116-K119 HydrophobicContact CB-CG 4.24Å; P116-K119 HydrophobicContact CG-CB 4.34Å; P116-K119 HydrophobicContact CG-CD 4.22Å; P116-K119 PolarHBondContact O-N 2Å; P116-K119 VanDerWaalsContact O-N 3.08Å; E117-K119 PolarHBondContact O-N 3.44Å
120	P	64.5	Low	70.9	Confident	120 Å²	120	96.1 Å²	96.1	78%	0.779	52%	0.519	S	S	*	.			trans	-58.1	154.6	176	23.3	-31.6	0	0	0	111.3
121	C	62.1	Low	70.2	Confident	90 Å²	90	94.4 Å²	94.4	61%	0.608	51%	0.51	S	S	*	.	S	Bend	trans	-45	159.7	-179.6	-71.8	0	0	0	0	113.7	Q123	C121-Q123 PolarHBondContact O-N 3.42Å
122	P	66.7	Low	69.8	Low	17 Å²	17	93.6 Å²	93.6	11%	0.11	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-54.4	140.3	-173.7	25.6	-39.1	0	0	0	111.8	P110 K112 C115 Y124	P110-P122 HydrophobicContact CB-CB 4.1Å; P110-P122 HydrophobicContact CB-CG 3.64Å; K112-P122 HydrophobicContact CB-CB 4.13Å; K112-P122 WeakPolarHBondContact O-CB 3.38Å; K112-P122 WeakPolarHBondContact O-CG 3.45Å; C115-P122 WeakPolarHBondContact SG-CD 2.95Å; P122-Y124 HydrophobicContact CG-CE2 4.17Å; P122-Y124 WeakPolarHBondContact O-CD2 2.92Å; P122-Y124 WeakPolarHBondContact O-CE2 3.37Å; P122-Y124 PolarHBondContact O-N 2.85Å
123	Q	71.2	Confident	69.9	Low	132 Å²	132	87 Å²	87	62%	0.617	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-55.8	124.8	170.5	-68.3	169.5	-13.9	0	0	108.3	T111 C121	T111-Q123 WeakPolarHBondContact CA-O 3.37Å; T111-Q123 WeakPolarHBondContact CB-O 2.91Å; T111-Q123 PolarHBondContact N-O 3.26Å; T111-Q123 PolarHBondContact OG1-O 3.48Å; C121-Q123 PolarHBondContact O-N 3.42Å
124	Y	77.8	Confident	70.2	Confident	52 Å²	52	87.7 Å²	87.7	20%	0.204	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134	174.6	-65.9	-107.5	0	0	0	109.5	C97 H98 C108 L109 P110 P122	C97-Y124 PolarHBondContact N-O 2.84Å; C97-Y124 WeakPolarHBondContact SG-CB 3.12Å; C97-Y124 PolarHBondContact SG-O 3.37Å; H98-Y124 AromaticContact CE1-CD1 3.38Å; H98-Y124 WeakPolarHBondContact CE1-CD1 3.37Å; H98-Y124 AromaticContact CE1-CD2 3.36Å; H98-Y124 WeakPolarHBondContact CE1-CD2 3.43Å; H98-Y124 AromaticContact CE1-CE1 3.21Å; H98-Y124 WeakPolarHBondContact CE1-CE1 3.18Å; H98-Y124 AromaticContact CE1-CE2 3.21Å; H98-Y124 WeakPolarHBondContact CE1-CE2 3Å; H98-Y124 AromaticContact CE1-CG 3.48Å; H98-Y124 VanDerWaalsContact CE1-CG 3.48Å; H98-Y124 AromaticContact CE1-CZ 3.14Å; H98-Y124 AromaticContact ND1-CD2 3.27Å; H98-Y124 VanDerWaalsContact ND1-CD2 3.27Å; H98-Y124 WeakPolarHBondContact ND1-CD2 3.29Å; H98-Y124 AromaticContact ND1-CE2 3.41Å; H98-Y124 WeakPolarHBondContact ND1-CE2 3.14Å; H98-Y124 AromaticContact ND1-CG 3.65Å; H98-Y124 AromaticContact ND1-CZ 3.87Å; H98-Y124 AromaticContact NE2-CD1 3.42Å; H98-Y124 WeakPolarHBondContact NE2-CD1 2.84Å; H98-Y124 AromaticContact NE2-CE1 3.51Å; H98-Y124 AromaticContact NE2-CG 3.77Å; H98-Y124 AromaticContact NE2-CZ 3.94Å; C108-Y124 WeakPolarHBondContact SG-CB 3.05Å; L109-Y124 CarbonylContact O-C 3.58Å; L109-Y124 VanDerWaalsContact O-CA 3.25Å; L109-Y124 WeakPolarHBondContact O-CA 3.32Å; P110-Y124 HydrophobicContact CB-CD1 4.08Å; P110-Y124 HydrophobicContact CB-CE1 3.67Å; P110-Y124 HydrophobicContact CG-CE1 4.06Å; P110-Y124 VanDerWaalsContact N-CD1 3.28Å; P122-Y124 HydrophobicContact CG-CE2 4.17Å; P122-Y124 WeakPolarHBondContact O-CD2 2.92Å; P122-Y124 WeakPolarHBondContact O-CE2 3.37Å; P122-Y124 PolarHBondContact O-N 2.85Å
125	S	77.1	Confident	70.2	Confident	46 Å²	46	86 Å²	86	32%	0.322	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.8	177.4	55.4	0	0	0	0	110.7	C97 L109 T111 K127	C97-S125 VanDerWaalsContact SG-C 3.55Å; L109-S125 PolarHBondContact N-O 2Å; L109-S125 VanDerWaalsContact N-O 3.12Å; L109-S125 PolarHBondContact O-N 2.7Å; T111-S125 WeakPolarHBondContact OG1-CB 3.38Å; T111-S125 PolarHBondContact OG1-N 3.48Å; T111-S125 PolarHBondContact OG1-OG 3.2Å; S125-K127 PolarHBondContact O-N 3.08Å
126	C	72.9	Confident	70.2	Confident	45 Å²	45	84.5 Å²	84.5	30%	0.304	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	107.1	174.5	-66.2	0	0	0	0	110.1	C97 C102 H106	C97-C126 WeakPolarHBondContact CB-SG 3.42Å; C102-C126 WeakPolarHBondContact CA-SG 3.46Å; C102-C126 HydrophobicContact CB-CB 3.9Å; C102-C126 WeakPolarHBondContact CB-SG 2.84Å; C102-C126 WeakPolarHBondContact SG-CA 3.41Å; C102-C126 WeakPolarHBondContact SG-CB 3.18Å; C102-C126 CovalentContact SG-SG 2.05Å; C102-C126 PolarHBondContact SG-SG 3.34Å; H106-C126 HydrophobicContact CB-CB 3.88Å
127	K	75.7	Confident	70.3	Confident	126 Å²	126	83.7 Å²	83.7	55%	0.548	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	116.9	173.4	-176.5	60.8	177.1	178.7	0	109.1	H106 D107 L109 S125 R129	H106-K127 WeakPolarHBondContact CA-O 3.34Å; D107-K127 PolarHBondContact N-O 2.79Å; D107-K127 VanDerWaalsContact N-O 3.11Å; D107-K127 PolarHBondContact O-N 2.75Å; L109-K127 HydrophobicContact CD1-CB 3.89Å; L109-K127 HydrophobicContact CD1-CG 4.3Å; S125-K127 PolarHBondContact O-N 3.08Å; K127-R129 HydrophobicContact CG-CG 4.46Å; K127-R129 WeakPolarHBondContact O-CG 3Å; K127-R129 PolarHBondContact O-N 3.22Å
128	N	69.4	Low	69.8	Low	81 Å²	81	82.2 Å²	82.2	43%	0.433	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	130.4	171.1	-168.8	-0.9	0	0	0	109.5	H106 C130	H106-N128 WeakPolarHBondContact CD2-CA 2.99Å; H106-N128 PolarHBondContact CD2-N 3.49Å; H106-N128 VanDerWaalsContact CD2-N 3.25Å; H106-N128 VanDerWaalsContact NE2-CB 3.33Å; H106-N128 WeakPolarHBondContact NE2-CB 3.37Å; N128-C130 PolarHBondContact OD1-N 3.39Å; N128-C130 PolarHBondContact OD1-O 3.07Å
129	R	70.2	Confident	69.4	Low	95 Å²	95	83.8 Å²	83.8	36%	0.358	44%	0.444	S	S	.	.			trans	-126.2	0	177.2	-54.7	-172.2	-176.6	-114.2	45.8	114	C105 D107 K127 Y140	C105-R129 PolarHBondContact O-N 3.18Å; D107-R129 VanDerWaalsContact CB-NE 3.28Å; D107-R129 VanDerWaalsContact OD2-CD 3.23Å; D107-R129 WeakPolarHBondContact OD2-CD 3.01Å; D107-R129 IonicContact OD2-CZ 2.62Å; D107-R129 IonicContact OD2-NE 2.88Å; D107-R129 PolarHBondContact OD2-NE 3.02Å; D107-R129 IonicContact OD2-NH2 3.23Å; D107-R129 PolarHBondContact OD2-NH2 3.03Å; K127-R129 HydrophobicContact CG-CG 4.46Å; K127-R129 WeakPolarHBondContact O-CG 3Å; K127-R129 PolarHBondContact O-N 3.22Å; R129-Y140 HydrophobicContact CB-CE1 3.54Å; R129-Y140 HydrophobicContact CB-CE2 4.25Å; R129-Y140 WeakPolarHBondContact CB-OH 3.38Å; R129-Y140 WeakPolarHBondContact CD-OH 3.44Å; R129-Y140 VanDerWaalsContact O-CD1 3.31Å; R129-Y140 WeakPolarHBondContact O-CD1 2.95Å; R129-Y140 WeakPolarHBondContact O-CE1 3.33Å
130	C	68.2	Low	69.2	Low	11 Å²	11	77.6 Å²	77.6	7%	0.074	42%	0.417	C	S	.	.			trans	-94.7	154.7	169.2	-65.5	0	0	0	0	110.8	C105 N128 W149 C150	C105-C130 VanDerWaalsContact CA-SG 3.58Å; C105-C130 HydrophobicContact CB-CB 3.35Å; C105-C130 WeakPolarHBondContact CB-SG 3.31Å; C105-C130 WeakPolarHBondContact SG-CB 3.41Å; C105-C130 CovalentContact SG-SG 2Å; C105-C130 PolarHBondContact SG-SG 3.29Å; N128-C130 PolarHBondContact OD1-N 3.39Å; N128-C130 PolarHBondContact OD1-O 3.07Å; C130-W149 HydrophobicContact CB-CZ2 4.45Å; C130-C150 WeakPolarHBondContact CB-O 2.85Å; C130-C150 PolarHBondContact SG-O 3.21Å
131	G	65.6	Low	69.2	Low	11 Å²	11	75.7 Å²	75.7	11%	0.113	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.1	-173.2	-176.9	0	0	0	0	0	112.3	W149 C150	G131-W149 CarbonylContact O-C 2.93Å; G131-W149 WeakPolarHBondContact O-CA 3.28Å; G131-C150 WeakPolarHBondContact O-CB 3.49Å; G131-C150 PolarHBondContact O-N 3.34Å; G131-C150 PolarHBondContact O-SG 2.91Å; G131-C150 VanDerWaalsContact O-SG 3.38Å
132	P	65.1	Low	69.6	Low	61 Å²	61	73.8 Å²	73.8	40%	0.396	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	143.4	174.2	-23.6	34.1	0	0	0	111.6	E134 H135 W149 C150	P132-E134 PolarHBondContact O-N 3.26Å; P132-H135 PolarHBondContact O-N 3.2Å; P132-W149 HydrophobicContact CG-CZ3 4.36Å; P132-C150 VanDerWaalsContact C-SG 3.58Å; P132-C150 PolarHBondContact O-SG 3.38Å
133	C	73.2	Confident	69.5	Low	17 Å²	17	74.7 Å²	74.7	12%	0.115	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-54.9	-26.9	-176.7	-83.3	0	0	0	0	115.6	H135 C136 C142 R148 W149 C150	C133-H135 PolarHBondContact O-N 3.19Å; C133-H135 VanDerWaalsContact O-N 3.15Å; C133-C136 VanDerWaalsContact CA-SG 3.56Å; C133-C136 PolarHBondContact O-N 3.47Å; C133-C136 PolarHBondContact O-SG 3.41Å; C133-C142 HydrophobicContact CB-CB 3.9Å; C133-C142 WeakPolarHBondContact CB-SG 3.23Å; C133-C142 WeakPolarHBondContact SG-CA 3.49Å; C133-C142 WeakPolarHBondContact SG-CB 3.4Å; C133-C142 CovalentContact SG-SG 2.01Å; C133-C142 PolarHBondContact SG-SG 3.36Å; C133-R148 HydrophobicContact CB-CB 3.78Å; C133-R148 PolarHBondContact N-O 3.15Å; C133-W149 PolarHBondContact SG-N 3.27Å; C133-C150 WeakPolarHBondContact CA-SG 3.23Å
134	E	74.2	Confident	69.3	Low	176 Å²	176	74.7 Å²	74.7	82%	0.822	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-62.3	-16.8	176.8	-62.3	171.3	-174	0	0	112.9	P132	P132-E134 PolarHBondContact O-N 3.26Å
135	H	70.6	Confident	68.6	Low	148 Å²	148	75.9 Å²	75.9	69%	0.685	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-119.4	17.2	179.7	-58.1	-41.6	0	0	0	113.1	P132 C133 S137	P132-H135 PolarHBondContact O-N 3.2Å; C133-H135 PolarHBondContact O-N 3.19Å; C133-H135 VanDerWaalsContact O-N 3.15Å; H135-S137 PolarHBondContact O-N 3.11Å
136	C	69.2	Low	67.6	Low	36 Å²	36	80.7 Å²	80.7	24%	0.243	43%	0.428	C	S	.	.			trans	-63.7	130.5	174.6	-70	0	0	0	0	110	C133 C150	C133-C136 VanDerWaalsContact CA-SG 3.56Å; C133-C136 PolarHBondContact O-N 3.47Å; C133-C136 PolarHBondContact O-SG 3.41Å; C136-C150 WeakPolarHBondContact CA-SG 3.48Å; C136-C150 HydrophobicContact CB-CB 3.99Å; C136-C150 WeakPolarHBondContact CB-SG 3.31Å; C136-C150 PolarHBondContact N-SG 2.82Å; C136-C150 WeakPolarHBondContact SG-CA 3.34Å; C136-C150 WeakPolarHBondContact SG-CB 3.19Å; C136-C150 CovalentContact SG-SG 2.01Å; C136-C150 PolarHBondContact SG-SG 2.76Å
137	S	66.5	Low	66.8	Low	59 Å²	59	81.8 Å²	81.8	41%	0.413	44%	0.435	S	S	.	.			trans	-78.1	163.4	160.5	67.7	0	0	0	0	110.5	H135 D139 Y140	H135-S137 PolarHBondContact O-N 3.11Å; S137-D139 PolarHBondContact O-N 2.99Å; S137-D139 VanDerWaalsContact O-N 3.1Å; S137-Y140 WeakPolarHBondContact O-CB 3.47Å; S137-Y140 PolarHBondContact O-N 3.05Å; S137-Y140 WeakPolarHBondContact OG-CD2 3.47Å; S137-Y140 WeakPolarHBondContact OG-CE2 3.34Å
138	D	66.6	Low	66.1	Low	168 Å²	168	82.5 Å²	82.5	90%	0.898	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.1	-174.2	-60.4	-36.6	0	0	0	114	Y140	D138-Y140 PolarHBondContact O-N 3.32Å
139	D	63.8	Low	65.7	Low	123 Å²	123	80.9 Å²	80.9	66%	0.658	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-3.4	175.7	-59.1	-48.1	0	0	0	113.5	S137 Y152	S137-D139 PolarHBondContact O-N 2.99Å; S137-D139 VanDerWaalsContact O-N 3.1Å; D139-Y152 HydrophobicContact CB-CE2 4.19Å
140	Y	63.6	Low	65.4	Low	15 Å²	15	76.5 Å²	76.5	6%	0.059	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.9	-171.3	-69.2	-112.7	0	0	0	110.9	R129 S137 D138 C150 K151 Y152	R129-Y140 HydrophobicContact CB-CE1 3.54Å; R129-Y140 HydrophobicContact CB-CE2 4.25Å; R129-Y140 WeakPolarHBondContact CB-OH 3.38Å; R129-Y140 WeakPolarHBondContact CD-OH 3.44Å; R129-Y140 VanDerWaalsContact O-CD1 3.31Å; R129-Y140 WeakPolarHBondContact O-CD1 2.95Å; R129-Y140 WeakPolarHBondContact O-CE1 3.33Å; S137-Y140 WeakPolarHBondContact O-CB 3.47Å; S137-Y140 PolarHBondContact O-N 3.05Å; S137-Y140 WeakPolarHBondContact OG-CD2 3.47Å; S137-Y140 WeakPolarHBondContact OG-CE2 3.34Å; D138-Y140 PolarHBondContact O-N 3.32Å; Y140-C150 HydrophobicContact CD1-CB 4.44Å; Y140-K151 CarbonylContact C-O 3.45Å; Y140-K151 WeakPolarHBondContact CA-O 3.43Å; Y140-K151 WeakPolarHBondContact CB-O 3.33Å; Y140-K151 VanDerWaalsContact CD1-C 3.46Å; Y140-Y152 VanDerWaalsContact CD1-CA 3.43Å; Y140-Y152 HydrophobicContact CD1-CD2 4.16Å; Y140-Y152 HydrophobicContact CD1-CG 4.46Å; Y140-Y152 HydrophobicContact CD2-CD2 4.01Å; Y140-Y152 AromaticContact CE1-CD2 3.61Å; Y140-Y152 HydrophobicContact CE1-CD2 3.61Å; Y140-Y152 AromaticContact CE1-CG 3.79Å; Y140-Y152 HydrophobicContact CE1-CG 3.79Å; Y140-Y152 AromaticContact CE2-CD2 3.43Å; Y140-Y152 HydrophobicContact CE2-CD2 3.43Å; Y140-Y152 VanDerWaalsContact CE2-CD2 3.43Å; Y140-Y152 AromaticContact CE2-CE2 3.93Å; Y140-Y152 HydrophobicContact CE2-CE2 3.93Å; Y140-Y152 HydrophobicContact CE2-CG 4.4Å; Y140-Y152 HydrophobicContact CG-CD2 4.29Å; Y140-Y152 AromaticContact CZ-CD2 3.11Å; Y140-Y152 AromaticContact CZ-CE2 3.89Å; Y140-Y152 AromaticContact CZ-CG 3.67Å; Y140-Y152 WeakPolarHBondContact OH-CD2 3.39Å
141	L	64	Low	65.1	Low	81 Å²	81	76.9 Å²	76.9	42%	0.424	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	121.4	172	-68.2	-175.2	0	0	0	109.5	V143 K151 F153	L141-V143 PolarHBondContact O-N 3.29Å; L141-K151 PolarHBondContact N-O 2.03Å; L141-K151 PolarHBondContact O-N 3.18Å; L141-F153 WeakPolarHBondContact CD1-O 3.43Å; L141-F153 WeakPolarHBondContact CG-O 3.37Å
142	C	69.6	Low	64.7	Low	49 Å²	49	80.3 Å²	80.3	33%	0.331	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	115.7	165.2	173.3	0	0	0	0	109.2	C133	C133-C142 HydrophobicContact CB-CB 3.9Å; C133-C142 WeakPolarHBondContact CB-SG 3.23Å; C133-C142 WeakPolarHBondContact SG-CA 3.49Å; C133-C142 WeakPolarHBondContact SG-CB 3.4Å; C133-C142 CovalentContact SG-SG 2.01Å; C133-C142 PolarHBondContact SG-SG 3.36Å
143	V	65.9	Low	64.3	Low	36 Å²	36	80.4 Å²	80.4	22%	0.218	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.1	172.7	165.4	0	0	0	0	109.9	L141 R145 W149 K151	L141-V143 PolarHBondContact O-N 3.29Å; V143-R145 HydrophobicContact CG1-CB 4.24Å; V143-R145 HydrophobicContact CG1-CG 3.97Å; V143-R145 PolarHBondContact O-N 2.78Å; V143-W149 PolarHBondContact N-O 3.47Å; V143-W149 PolarHBondContact O-N 3.36Å; V143-K151 HydrophobicContact CB-CD 3.83Å; V143-K151 HydrophobicContact CG2-CD 3.44Å; V143-K151 VanDerWaalsContact CG2-CD 3.44Å
144	D	66.6	Low	63	Low	132 Å²	132	87.4 Å²	87.4	71%	0.706	44%	0.439	S	S	*	.			trans	-81.5	58	-176.6	-156.1	21.3	0	0	0	112.1	R148	D144-R148 VanDerWaalsContact OD1-CD 3.25Å; D144-R148 WeakPolarHBondContact OD1-CD 3Å; D144-R148 WeakPolarHBondContact OD1-CG 3.39Å; D144-R148 IonicContact OD1-NE 3.46Å
145	R	62.3	Low	61.6	Low	78 Å²	78	82.7 Å²	82.7	29%	0.294	42%	0.423	S	S	.	.	S	Bend	trans	-117.5	137.7	167.1	-70.7	-162.3	-73	-91.9	24.1	107.9	V143 P147 R148 K151 E173	V143-R145 HydrophobicContact CG1-CB 4.24Å; V143-R145 HydrophobicContact CG1-CG 3.97Å; V143-R145 PolarHBondContact O-N 2.78Å; R145-P147 CarbonylContact O-C 3.49Å; R145-R148 VanDerWaalsContact O-CA 3.22Å; R145-R148 WeakPolarHBondContact O-CA 2.95Å; R145-R148 PolarHBondContact O-N 3.25Å; R145-K151 VanDerWaalsContact NH2-NZ 3.17Å; R145-E173 IonicContact CZ-OE2 2.69Å; R145-E173 IonicContact NH1-OE1 3.76Å; R145-E173 PolarHBondContact NH1-OE1 2.91Å; R145-E173 IonicContact NH1-OE2 2.86Å; R145-E173 PolarHBondContact NH1-OE2 3.31Å; R145-E173 IonicContact NH2-OE2 2.87Å; R145-E173 PolarHBondContact NH2-OE2 3.18Å
146	T	56.5	Low	60.3	Low	146 Å²	146	77.3 Å²	77.3	90%	0.896	40%	0.402	S	S	*	.	S	Bend	trans	-76	126.8	-178.9	-49.8	0	0	0	0	111.3
147	P	55.2	Low	59.4	Low	68 Å²	68	85 Å²	85	44%	0.442	44%	0.435	S	S	.	.	S	Bend	cis	-76.8	137.6	-5.1	32.4	-34	0	0	0	112.1	R145 W149	R145-P147 CarbonylContact O-C 3.49Å; P147-W149 PolarHBondContact O-N 3.05Å
148	R	61.3	Low	58.7	Low	142 Å²	142	85.5 Å²	85.5	54%	0.536	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-58.4	122.1	-177.6	-71.1	179.7	57.5	-176.1	-3	109.8	C133 D144 R145	C133-R148 HydrophobicContact CB-CB 3.78Å; C133-R148 PolarHBondContact N-O 3.15Å; D144-R148 VanDerWaalsContact OD1-CD 3.25Å; D144-R148 WeakPolarHBondContact OD1-CD 3Å; D144-R148 WeakPolarHBondContact OD1-CG 3.39Å; D144-R148 IonicContact OD1-NE 3.46Å; R145-R148 VanDerWaalsContact O-CA 3.22Å; R145-R148 WeakPolarHBondContact O-CA 2.95Å; R145-R148 PolarHBondContact O-N 3.25Å
149	W	61.6	Low	58.3	Low	47 Å²	47	78.7 Å²	78.7	18%	0.178	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.9	-170.1	-163.8	-93.9	0	0	0	112.9	E73 C130 G131 P132 C133 V143 P147 K151	E73-W149 HydrophobicContact CB-CH2 4.5Å; E73-W149 HydrophobicContact CG-CH2 4.47Å; C130-W149 HydrophobicContact CB-CZ2 4.45Å; G131-W149 CarbonylContact O-C 2.93Å; G131-W149 WeakPolarHBondContact O-CA 3.28Å; P132-W149 HydrophobicContact CG-CZ3 4.36Å; C133-W149 PolarHBondContact SG-N 3.27Å; V143-W149 PolarHBondContact N-O 3.47Å; V143-W149 PolarHBondContact O-N 3.36Å; P147-W149 PolarHBondContact O-N 3.05Å; W149-K151 PolarHBondContact O-N 3.32Å
150	C	63.2	Low	58.5	Low	2 Å²	2	77.4 Å²	77.4	1%	0.014	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	122.7	171.6	-54.9	0	0	0	0	110.6	C130 G131 P132 C133 C136 Y140	C130-C150 WeakPolarHBondContact CB-O 2.85Å; C130-C150 PolarHBondContact SG-O 3.21Å; G131-C150 WeakPolarHBondContact O-CB 3.49Å; G131-C150 PolarHBondContact O-N 3.34Å; G131-C150 PolarHBondContact O-SG 2.91Å; G131-C150 VanDerWaalsContact O-SG 3.38Å; P132-C150 VanDerWaalsContact C-SG 3.58Å; P132-C150 PolarHBondContact O-SG 3.38Å; C133-C150 WeakPolarHBondContact CA-SG 3.23Å; C136-C150 WeakPolarHBondContact CA-SG 3.48Å; C136-C150 HydrophobicContact CB-CB 3.99Å; C136-C150 WeakPolarHBondContact CB-SG 3.31Å; C136-C150 PolarHBondContact N-SG 2.82Å; C136-C150 WeakPolarHBondContact SG-CA 3.34Å; C136-C150 WeakPolarHBondContact SG-CB 3.19Å; C136-C150 CovalentContact SG-SG 2.01Å; C136-C150 PolarHBondContact SG-SG 2.76Å; Y140-C150 HydrophobicContact CD1-CB 4.44Å
151	K	63.6	Low	58.9	Low	20 Å²	20	76.7 Å²	76.7	9%	0.087	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.7	173.2	-68.5	164	177.6	-154.5	0	108.2	Y140 L141 V143 R145 W149 F153 D175	Y140-K151 CarbonylContact C-O 3.45Å; Y140-K151 WeakPolarHBondContact CA-O 3.43Å; Y140-K151 WeakPolarHBondContact CB-O 3.33Å; Y140-K151 VanDerWaalsContact CD1-C 3.46Å; L141-K151 PolarHBondContact N-O 2.03Å; L141-K151 PolarHBondContact O-N 3.18Å; V143-K151 HydrophobicContact CB-CD 3.83Å; V143-K151 HydrophobicContact CG2-CD 3.44Å; V143-K151 VanDerWaalsContact CG2-CD 3.44Å; R145-K151 VanDerWaalsContact NH2-NZ 3.17Å; W149-K151 PolarHBondContact O-N 3.32Å; K151-F153 PolarHBondContact O-N 3.48Å; K151-F153 VanDerWaalsContact O-N 3.11Å; K151-D175 HydrophobicContact CB-CB 4.45Å; K151-D175 HydrophobicContact CD-CB 3.42Å; K151-D175 VanDerWaalsContact CD-CB 3.42Å; K151-D175 WeakPolarHBondContact CE-OD2 3.27Å; K151-D175 HydrophobicContact CG-CB 3.91Å; K151-D175 IonicContact NZ-OD2 3.84Å; K151-D175 PolarHBondContact NZ-OD2 3.07Å
152	Y	55.8	Low	59.4	Low	83 Å²	83	76.8 Å²	76.8	33%	0.325	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	107.7	163.1	-164.1	-128.1	0	0	0	105.9	D139 Y140 C176	D139-Y152 HydrophobicContact CB-CE2 4.19Å; Y140-Y152 VanDerWaalsContact CD1-CA 3.43Å; Y140-Y152 HydrophobicContact CD1-CD2 4.16Å; Y140-Y152 HydrophobicContact CD1-CG 4.46Å; Y140-Y152 HydrophobicContact CD2-CD2 4.01Å; Y140-Y152 AromaticContact CE1-CD2 3.61Å; Y140-Y152 HydrophobicContact CE1-CD2 3.61Å; Y140-Y152 AromaticContact CE1-CG 3.79Å; Y140-Y152 HydrophobicContact CE1-CG 3.79Å; Y140-Y152 AromaticContact CE2-CD2 3.43Å; Y140-Y152 HydrophobicContact CE2-CD2 3.43Å; Y140-Y152 VanDerWaalsContact CE2-CD2 3.43Å; Y140-Y152 AromaticContact CE2-CE2 3.93Å; Y140-Y152 HydrophobicContact CE2-CE2 3.93Å; Y140-Y152 HydrophobicContact CE2-CG 4.4Å; Y140-Y152 HydrophobicContact CG-CD2 4.29Å; Y140-Y152 AromaticContact CZ-CD2 3.11Å; Y140-Y152 AromaticContact CZ-CE2 3.89Å; Y140-Y152 AromaticContact CZ-CG 3.67Å; Y140-Y152 WeakPolarHBondContact OH-CD2 3.39Å; Y152-C176 PolarHBondContact O-SG 3.25Å
153	F	56.8	Low	59.8	Low	62 Å²	62	79.5 Å²	79.5	27%	0.272	41%	0.41	S	S	.	.			trans	155.5	144.6	146.7	-106.6	-111.5	0	0	0	113.6	L141 K151 A158 R159	L141-F153 WeakPolarHBondContact CD1-O 3.43Å; L141-F153 WeakPolarHBondContact CG-O 3.37Å; K151-F153 PolarHBondContact O-N 3.48Å; K151-F153 VanDerWaalsContact O-N 3.11Å; F153-A158 HydrophobicContact CE1-CB 3.98Å; F153-R159 HydrophobicContact CD1-CG 4.03Å; F153-R159 HydrophobicContact CE1-CG 3.63Å; F153-R159 HydrophobicContact CZ-CG 4.4Å
154	K	45.3	Very low	60.8	Low	164 Å²	164	80 Å²	80	71%	0.713	41%	0.409	S	S	*	.			trans	-74.1	139.3	157.8	-67.8	-165.8	177.1	-175.6	0	110.6	C156	K154-C156 PolarHBondContact O-N 3.22Å
155	P	45.1	Very low	61.7	Low	77 Å²	77	77.8 Å²	77.8	50%	0.5	40%	0.402	S	S	.	.	S	Bend	trans	-60.4	133.5	-168	23.2	-32.7	0	0	0	112.1	E157	P155-E157 PolarHBondContact O-N 3.22Å
156	C	44.4	Very low	62.8	Low	36 Å²	36	78.7 Å²	78.7	24%	0.243	41%	0.41	C	S	.	.	S	Bend	trans	38.3	-36.2	170.2	-74	0	0	0	0	121.6	K154 A158 R159 C169 R171	K154-C156 PolarHBondContact O-N 3.22Å; C156-A158 PolarHBondContact O-N 3.47Å; C156-R159 PolarHBondContact O-N 3.11Å; C156-R159 VanDerWaalsContact O-N 3.16Å; C156-C169 VanDerWaalsContact CA-SG 3.53Å; C156-C169 HydrophobicContact CB-CB 3.55Å; C156-C169 WeakPolarHBondContact CB-SG 2.94Å; C156-C169 WeakPolarHBondContact SG-CB 3.45Å; C156-C169 CovalentContact SG-SG 2.06Å; C156-C169 PolarHBondContact SG-SG 2.97Å; C156-R171 PolarHBondContact SG-O 3.31Å
157	E	49.5	Very low	64.2	Low	197 Å²	197	72 Å²	72	92%	0.921	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24	-174.4	-67.5	177.9	176.7	0	0	113.6	P155	P155-E157 PolarHBondContact O-N 3.22Å
158	A	52.4	Low	65.3	Low	70 Å²	70	76 Å²	76	58%	0.579	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	13.7	-177.9	0	0	0	0	0	114.7	F153 C156	F153-A158 HydrophobicContact CE1-CB 3.98Å; C156-A158 PolarHBondContact O-N 3.47Å
159	R	58.3	Low	66	Low	25 Å²	25	70.5 Å²	70.5	9%	0.094	37%	0.365	C	S	.	.			trans	-121.8	86.1	-178.3	-69.3	-160.1	175.5	-144.3	1.2	112.5	F153 C156 T179 Y181	F153-R159 HydrophobicContact CD1-CG 4.03Å; F153-R159 HydrophobicContact CE1-CG 3.63Å; F153-R159 HydrophobicContact CZ-CG 4.4Å; C156-R159 PolarHBondContact O-N 3.11Å; C156-R159 VanDerWaalsContact O-N 3.16Å; R159-T179 PolarHBondContact NH1-OG1 3.22Å; R159-T179 VanDerWaalsContact NH1-OG1 3.09Å; R159-Y181 HydrophobicContact CB-CE1 4.04Å; R159-Y181 WeakPolarHBondContact CD-OH 3.25Å; R159-Y181 WeakPolarHBondContact O-CE1 3.07Å
160	T	66.8	Low	66.5	Low	95 Å²	95	73.5 Å²	73.5	58%	0.583	38%	0.38	S	S	*	.			trans	-72.7	134.5	149.7	26.3	0	0	0	0	108.7	P162 P165	T160-P162 VanDerWaalsContact O-CD 3.3Å; T160-P162 WeakPolarHBondContact O-CD 3.22Å; T160-P165 HydrophobicContact CG2-CB 4.42Å
161	C	73.4	Confident	66.4	Low	0 Å²	0	76.5 Å²	76.5	0%	0	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-67.3	117.8	168.2	172	0	0	0	0	107.3	K163 H164 A167 Y181 C194	C161-K163 PolarHBondContact O-N 2.89Å; C161-H164 HydrophobicContact CB-CB 4.19Å; C161-H164 VanDerWaalsContact CB-O 3.29Å; C161-H164 WeakPolarHBondContact CB-O 3.01Å; C161-H164 CarbonylContact O-C 3.49Å; C161-H164 WeakPolarHBondContact O-CA 3.43Å; C161-H164 PolarHBondContact O-N 2.97Å; C161-H164 VanDerWaalsContact O-O 3.14Å; C161-A167 HydrophobicContact CB-CB 4.04Å; C161-Y181 HydrophobicContact CB-CD1 4.04Å; C161-Y181 HydrophobicContact CB-CE1 4.17Å; C161-Y181 HydrophobicContact CB-CG 4.2Å; C161-C194 HydrophobicContact CB-CB 3.94Å; C161-C194 WeakPolarHBondContact CB-SG 3.42Å; C161-C194 WeakPolarHBondContact SG-CA 3.06Å; C161-C194 WeakPolarHBondContact SG-CB 3.5Å; C161-C194 CovalentContact SG-SG 2.03Å; C161-C194 PolarHBondContact SG-SG 3.23Å
162	P	73	Confident	65.9	Low	83 Å²	83	82 Å²	82	54%	0.539	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-37.5	-172.6	-27.2	35.9	0	0	0	113	T160	T160-P162 VanDerWaalsContact O-CD 3.3Å; T160-P162 WeakPolarHBondContact O-CD 3.22Å
163	K	79	Confident	65.6	Low	106 Å²	106	83.3 Å²	83.3	46%	0.461	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-28.5	174.5	-170.1	177.3	-174.2	157.8	0	113.7	C161 D193 C194 R196	C161-K163 PolarHBondContact O-N 2.89Å; K163-D193 VanDerWaalsContact CD-O 3.31Å; K163-D193 WeakPolarHBondContact CD-O 3.31Å; K163-C194 WeakPolarHBondContact CB-O 3.26Å; K163-R196 PolarHBondContact NZ-O 3.49Å
164	H	86.2	Confident	65.5	Low	47 Å²	47	81.3 Å²	81.3	22%	0.218	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-138.7	76.9	-176.2	-65.4	-76.5	0	0	0	111.1	C161 E166 A167 L183 L189	C161-H164 HydrophobicContact CB-CB 4.19Å; C161-H164 VanDerWaalsContact CB-O 3.29Å; C161-H164 WeakPolarHBondContact CB-O 3.01Å; C161-H164 CarbonylContact O-C 3.49Å; C161-H164 WeakPolarHBondContact O-CA 3.43Å; C161-H164 PolarHBondContact O-N 2.97Å; C161-H164 VanDerWaalsContact O-O 3.14Å; H164-E166 WeakPolarHBondContact CA-OE2 3Å; H164-E166 IonicContact CG-OE1 3.96Å; H164-E166 IonicContact ND1-OE1 2.73Å; H164-E166 PolarHBondContact ND1-OE1 2.69Å; H164-E166 VanDerWaalsContact ND1-OE1 3.07Å; H164-E166 PolarHBondContact O-N 2.86Å; H164-A167 HydrophobicContact CB-CB 3.96Å; H164-A167 VanDerWaalsContact O-CB 3.29Å; H164-A167 WeakPolarHBondContact O-CB 3.29Å; H164-A167 PolarHBondContact O-N 3.4Å; H164-L183 HydrophobicContact CB-CD2 3.71Å; H164-L189 HydrophobicContact CB-CD1 4.09Å; H164-L189 VanDerWaalsContact CD2-CD1 3.43Å; H164-L189 WeakPolarHBondContact CD2-CD1 3.29Å
165	P	85.2	Confident	66	Low	86 Å²	86	73.7 Å²	73.7	56%	0.558	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.9	-178.3	-25.1	35.2	0	0	0	114	T160 A167	T160-P165 HydrophobicContact CG2-CB 4.42Å; P165-A167 VanDerWaalsContact C-N 3.3Å
166	E	87	Confident	66.3	Low	97 Å²	97	70.3 Å²	70.3	45%	0.453	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-12.1	174.7	73.2	-79.3	-173.1	0	0	114.4	H164 L183 P184	H164-E166 WeakPolarHBondContact CA-OE2 3Å; H164-E166 IonicContact CG-OE1 3.96Å; H164-E166 IonicContact ND1-OE1 2.73Å; H164-E166 PolarHBondContact ND1-OE1 2.69Å; H164-E166 VanDerWaalsContact ND1-OE1 3.07Å; H164-E166 PolarHBondContact O-N 2.86Å; E166-L183 HydrophobicContact CG-CD2 3.88Å; E166-L183 WeakPolarHBondContact OE1-CD2 3.25Å; E166-P184 HydrophobicContact CB-CG 4.09Å; E166-P184 HydrophobicContact CG-CG 3.93Å
167	A	84.4	Confident	66.9	Low	4 Å²	4	69.3 Å²	69.3	3%	0.033	37%	0.365	C	S	.	.			trans	-80	125.1	-177.5	0	0	0	0	0	111	C161 H164 P165 Y181 R182 L183 L189	C161-A167 HydrophobicContact CB-CB 4.04Å; H164-A167 HydrophobicContact CB-CB 3.96Å; H164-A167 VanDerWaalsContact O-CB 3.29Å; H164-A167 WeakPolarHBondContact O-CB 3.29Å; H164-A167 PolarHBondContact O-N 3.4Å; P165-A167 VanDerWaalsContact C-N 3.3Å; A167-Y181 HydrophobicContact CB-CG 4.47Å; A167-R182 WeakPolarHBondContact CA-O 3.41Å; A167-L183 HydrophobicContact CB-CD2 3.82Å; A167-L183 HydrophobicContact CB-CG 4.36Å; A167-L189 HydrophobicContact CB-CD1 4.36Å
168	E	79.8	Confident	67.5	Low	153 Å²	153	60 Å²	60	72%	0.715	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	139.3	179.4	-67.2	-176.4	172.9	0	0	111.5	F170 Y181 R182	E168-F170 PolarHBondContact O-N 3.25Å; E168-F170 VanDerWaalsContact O-N 3.15Å; E168-Y181 CarbonylContact O-C 3.54Å; E168-Y181 WeakPolarHBondContact O-CA 3.43Å; E168-R182 PolarHBondContact N-O 2.94Å; E168-R182 PolarHBondContact O-N 2.97Å
169	C	74.8	Confident	68.2	Low	27 Å²	27	56.7 Å²	56.7	18%	0.182	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	110.4	172.6	-172.9	0	0	0	0	109.9	C156 C174	C156-C169 VanDerWaalsContact CA-SG 3.53Å; C156-C169 HydrophobicContact CB-CB 3.55Å; C156-C169 WeakPolarHBondContact CB-SG 2.94Å; C156-C169 WeakPolarHBondContact SG-CB 3.45Å; C156-C169 CovalentContact SG-SG 2.06Å; C156-C169 PolarHBondContact SG-SG 2.97Å; C169-C174 PolarHBondContact SG-SG 2.72Å
170	F	71.8	Confident	68.9	Low	110 Å²	110	57.4 Å²	57.4	48%	0.482	30%	0.3	S	S	.	.			trans	-87.9	-29.4	-169	-178.9	-108.6	0	0	0	114.4	E168 L180 R182 M188	E168-F170 PolarHBondContact O-N 3.25Å; E168-F170 VanDerWaalsContact O-N 3.15Å; F170-L180 PolarHBondContact N-O 3.2Å; F170-R182 HydrophobicContact CB-CB 4.13Å; F170-R182 HydrophobicContact CD2-CB 4.47Å; F170-R182 VanDerWaalsContact CE2-NE 3.32Å; F170-R182 HydrophobicContact CG-CB 4.49Å; F170-M188 HydrophobicContact CB-CE 3.78Å; F170-M188 HydrophobicContact CD1-CE 3.53Å; F170-M188 HydrophobicContact CE1-CE 4.35Å; F170-M188 HydrophobicContact CG-CE 3.7Å
171	R	61.3	Low	69.4	Low	64 Å²	64	52.9 Å²	52.9	24%	0.242	27%	0.272	C	S	.	.			trans	-90.5	132	179.3	-65.4	-157.6	-82.2	-166.4	-18.4	111.2	C156 E173 C174 N178 L180	C156-R171 PolarHBondContact SG-O 3.31Å; R171-E173 PolarHBondContact O-N 3.07Å; R171-E173 VanDerWaalsContact O-N 3.11Å; R171-C174 PolarHBondContact O-N 3.18Å; R171-C174 PolarHBondContact O-SG 3.01Å; R171-N178 PolarHBondContact NE-O 2.87Å; R171-N178 VanDerWaalsContact NH2-C 3.33Å; R171-N178 VanDerWaalsContact NH2-CA 3.29Å; R171-N178 PolarHBondContact NH2-O 3.32Å; R171-N178 PolarHBondContact NH2-OD1 2.86Å; R171-N178 VanDerWaalsContact NH2-OD1 3.13Å; R171-L180 HydrophobicContact CG-CB 4.44Å
172	V	52.9	Low	70	Confident	135 Å²	135	57 Å²	57	82%	0.818	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-31	171.6	-173.3	0	0	0	0	111.1
173	E	50.9	Low	70.7	Confident	112 Å²	112	54 Å²	54	52%	0.523	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	62.4	-179.9	-55.6	179.8	142	0	0	111.1	R145 R171 D175	R145-E173 IonicContact CZ-OE2 2.69Å; R145-E173 IonicContact NH1-OE1 3.76Å; R145-E173 PolarHBondContact NH1-OE1 2.91Å; R145-E173 IonicContact NH1-OE2 2.86Å; R145-E173 PolarHBondContact NH1-OE2 3.31Å; R145-E173 IonicContact NH2-OE2 2.87Å; R145-E173 PolarHBondContact NH2-OE2 3.18Å; R171-E173 PolarHBondContact O-N 3.07Å; R171-E173 VanDerWaalsContact O-N 3.11Å; E173-D175 PolarHBondContact O-N 2.59Å
174	C	54.2	Low	71.2	Confident	19 Å²	19	54 Å²	54	13%	0.128	28%	0.278	C	S	.	.			trans	-69.2	128.1	166.7	-72.1	0	0	0	0	109.9	C169 R171 T179	C169-C174 PolarHBondContact SG-SG 2.72Å; R171-C174 PolarHBondContact O-N 3.18Å; R171-C174 PolarHBondContact O-SG 3.01Å; C174-T179 HydrophobicContact CB-CG2 3.86Å
175	D	55.1	Low	71.5	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.027	30%	0.298	C	S	.	.			trans	-120.3	178.6	170.3	70.4	41.5	0	0	0	111.1	K151 E173 F177 N178 T179	K151-D175 HydrophobicContact CB-CB 4.45Å; K151-D175 HydrophobicContact CD-CB 3.42Å; K151-D175 VanDerWaalsContact CD-CB 3.42Å; K151-D175 WeakPolarHBondContact CE-OD2 3.27Å; K151-D175 HydrophobicContact CG-CB 3.91Å; K151-D175 IonicContact NZ-OD2 3.84Å; K151-D175 PolarHBondContact NZ-OD2 3.07Å; E173-D175 PolarHBondContact O-N 2.59Å; D175-F177 PolarHBondContact O-N 3.22Å; D175-F177 WeakPolarHBondContact OD1-CA 3.01Å; D175-F177 WeakPolarHBondContact OD1-CB 3.29Å; D175-F177 PolarHBondContact OD1-N 3.1Å; D175-N178 PolarHBondContact O-N 3.04Å; D175-N178 VanDerWaalsContact OD1-CB 3.28Å; D175-N178 WeakPolarHBondContact OD1-CB 3.42Å; D175-N178 PolarHBondContact OD1-N 3.02Å; D175-N178 PolarHBondContact OD1-ND2 3.11Å; D175-N178 PolarHBondContact OD2-ND2 2.05Å; D175-T179 PolarHBondContact O-N 2.97Å; D175-T179 PolarHBondContact O-OG1 2.89Å
176	C	53	Low	71.6	Confident	6 Å²	6	55 Å²	55	4%	0.041	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-34	-178.7	-54.8	0	0	0	0	113.3	P104 C105 Y152	P104-C176 HydrophobicContact CB-CB 4.3Å; P104-C176 WeakPolarHBondContact CB-O 3.05Å; C105-C176 HydrophobicContact CB-CB 4.33Å; C105-C176 WeakPolarHBondContact SG-CB 3.35Å; C105-C176 PolarHBondContact SG-SG 2.95Å; Y152-C176 PolarHBondContact O-SG 3.25Å
177	F	56.2	Low	71.7	Confident	14 Å²	14	53.7 Å²	53.7	6%	0.061	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-31.1	-176.5	-49.9	-85.7	0	0	0	112.1	L53 M72 M76 P104 C105 D175	L53-F177 WeakPolarHBondContact CD1-O 3.21Å; M72-F177 HydrophobicContact CE-CB 3.2Å; M72-F177 HydrophobicContact CE-CD1 4.1Å; M72-F177 HydrophobicContact CE-CD2 3.72Å; M72-F177 HydrophobicContact CE-CG 3.43Å; M72-F177 VanDerWaalsContact CE-CG 3.43Å; M72-F177 HydrophobicContact CG-CD1 4.38Å; M72-F177 HydrophobicContact CG-CD2 3.97Å; M72-F177 HydrophobicContact CG-CE1 4.37Å; M72-F177 HydrophobicContact CG-CE2 3.92Å; M72-F177 HydrophobicContact CG-CG 4.2Å; M72-F177 HydrophobicContact CG-CZ 4.14Å; M72-F177 HydrophobicContact SD-CB 3.91Å; M72-F177 HydrophobicContact SD-CD1 3.62Å; M72-F177 HydrophobicContact SD-CD2 3.95Å; M72-F177 HydrophobicContact SD-CE1 4.08Å; M72-F177 HydrophobicContact SD-CE2 4.34Å; M72-F177 HydrophobicContact SD-CG 3.57Å; M72-F177 VanDerWaalsContact SD-CG 3.57Å; M72-F177 HydrophobicContact SD-CZ 4.41Å; M76-F177 HydrophobicContact CE-CE1 4.3Å; M76-F177 HydrophobicContact CG-CE1 4.17Å; M76-F177 HydrophobicContact SD-CD1 4.42Å; M76-F177 HydrophobicContact SD-CE1 4.33Å; P104-F177 HydrophobicContact CB-CD1 3.34Å; P104-F177 HydrophobicContact CB-CE1 3.64Å; P104-F177 HydrophobicContact CB-CG 4.02Å; P104-F177 HydrophobicContact CG-CD1 4.07Å; C105-F177 HydrophobicContact CB-CE1 4.37Å; C105-F177 HydrophobicContact CB-CE2 4.33Å; C105-F177 HydrophobicContact CB-CZ 3.77Å; C105-F177 WeakPolarHBondContact SG-CE2 3.3Å; C105-F177 WeakPolarHBondContact SG-CZ 3.08Å; D175-F177 PolarHBondContact O-N 3.22Å; D175-F177 WeakPolarHBondContact OD1-CA 3.01Å; D175-F177 WeakPolarHBondContact OD1-CB 3.29Å; D175-F177 PolarHBondContact OD1-N 3.1Å
178	N	61.9	Low	71.7	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	17.7	-163.4	-79.2	-57.7	0	0	0	114	L56 M72 R171 D175 L180	L56-N178 PolarHBondContact N-OD1 3.12Å; L56-N178 VanDerWaalsContact N-OD1 3.16Å; M72-N178 WeakPolarHBondContact CE-ND2 3.38Å; R171-N178 PolarHBondContact NE-O 2.87Å; R171-N178 VanDerWaalsContact NH2-C 3.33Å; R171-N178 VanDerWaalsContact NH2-CA 3.29Å; R171-N178 PolarHBondContact NH2-O 3.32Å; R171-N178 PolarHBondContact NH2-OD1 2.86Å; R171-N178 VanDerWaalsContact NH2-OD1 3.13Å; D175-N178 PolarHBondContact O-N 3.04Å; D175-N178 VanDerWaalsContact OD1-CB 3.28Å; D175-N178 WeakPolarHBondContact OD1-CB 3.42Å; D175-N178 PolarHBondContact OD1-N 3.02Å; D175-N178 PolarHBondContact OD1-ND2 3.11Å; D175-N178 PolarHBondContact OD2-ND2 2.05Å; N178-L180 PolarHBondContact O-N 3.37Å
179	T	66.8	Low	71.6	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.006	27%	0.271	C	S	.	.			trans	-70.4	123.3	177.1	-53.5	0	0	0	0	110.5	R159 C174 D175 Y181 W191	R159-T179 PolarHBondContact NH1-OG1 3.22Å; R159-T179 VanDerWaalsContact NH1-OG1 3.09Å; C174-T179 HydrophobicContact CB-CG2 3.86Å; D175-T179 PolarHBondContact O-N 2.97Å; D175-T179 PolarHBondContact O-OG1 2.89Å; T179-Y181 HydrophobicContact CG2-CD2 4.15Å; T179-Y181 HydrophobicContact CG2-CE1 3.99Å; T179-Y181 HydrophobicContact CG2-CE2 3.38Å; T179-Y181 WeakPolarHBondContact CG2-OH 3.21Å; T179-W191 PolarHBondContact O-N 2.73Å
180	L	72.5	Confident	71.5	Confident	41 Å²	41	49.5 Å²	49.5	22%	0.215	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.9	177.7	-164	75.9	0	0	0	107.9	F170 R171 N178 M188 L189	F170-L180 PolarHBondContact N-O 3.2Å; R171-L180 HydrophobicContact CG-CB 4.44Å; N178-L180 PolarHBondContact O-N 3.37Å; L180-M188 HydrophobicContact CD1-CB 4.37Å; L180-M188 HydrophobicContact CD2-CB 4.38Å; L180-M188 HydrophobicContact CD2-CE 3.27Å; L180-M188 HydrophobicContact CG-CB 4.38Å; L180-M188 HydrophobicContact CG-CE 3.65Å; L180-L189 CarbonylContact C-O 3.57Å; L180-L189 WeakPolarHBondContact CA-O 3.36Å
181	Y	79	Confident	71.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	151.7	179.1	-54.8	-95	0	0	0	110	R159 C161 A167 E168 T179 M188 L189 W191 C194	R159-Y181 HydrophobicContact CB-CE1 4.04Å; R159-Y181 WeakPolarHBondContact CD-OH 3.25Å; R159-Y181 WeakPolarHBondContact O-CE1 3.07Å; C161-Y181 HydrophobicContact CB-CD1 4.04Å; C161-Y181 HydrophobicContact CB-CE1 4.17Å; C161-Y181 HydrophobicContact CB-CG 4.2Å; A167-Y181 HydrophobicContact CB-CG 4.47Å; E168-Y181 CarbonylContact O-C 3.54Å; E168-Y181 WeakPolarHBondContact O-CA 3.43Å; T179-Y181 HydrophobicContact CG2-CD2 4.15Å; T179-Y181 HydrophobicContact CG2-CE1 3.99Å; T179-Y181 HydrophobicContact CG2-CE2 3.38Å; T179-Y181 WeakPolarHBondContact CG2-OH 3.21Å; Y181-M188 CarbonylContact O-C 2.78Å; Y181-M188 VanDerWaalsContact O-CA 3.27Å; Y181-M188 WeakPolarHBondContact O-CA 3.35Å; Y181-L189 PolarHBondContact N-O 3.24Å; Y181-L189 PolarHBondContact O-N 2.89Å; Y181-W191 AromaticContact CE2-CE3 3.83Å; Y181-W191 HydrophobicContact CE2-CE3 3.83Å; Y181-W191 AromaticContact CZ-CE3 3.85Å; Y181-W191 WeakPolarHBondContact OH-CZ3 3.36Å; Y181-C194 VanDerWaalsContact CD2-SG 3.51Å; Y181-C194 HydrophobicContact CE2-CB 4.45Å
182	R	85.1	Confident	71.6	Confident	87 Å²	87	44.2 Å²	44.2	33%	0.328	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.1	173.2	-174	179.6	-61.8	-92.4	-0.8	108.1	A167 E168 F170 T187 M188	A167-R182 WeakPolarHBondContact CA-O 3.41Å; E168-R182 PolarHBondContact N-O 2.94Å; E168-R182 PolarHBondContact O-N 2.97Å; F170-R182 HydrophobicContact CB-CB 4.13Å; F170-R182 HydrophobicContact CD2-CB 4.47Å; F170-R182 VanDerWaalsContact CE2-NE 3.32Å; F170-R182 HydrophobicContact CG-CB 4.49Å; R182-T187 WeakPolarHBondContact CA-O 2.94Å; R182-M188 HydrophobicContact CB-CE 4.09Å; R182-M188 HydrophobicContact CB-SD 3.84Å; R182-M188 HydrophobicContact CG-SD 3.77Å; R182-M188 PolarHBondContact NH1-SD 3.29Å; R182-M188 PolarHBondContact NH2-SD 2.03Å; R182-M188 VanDerWaalsContact NH2-SD 3.42Å
183	L	87.8	Confident	72.7	Confident	18 Å²	18	40.5 Å²	40.5	9%	0.094	22%	0.219	C	C	.	.			trans	-66.9	158.3	168.9	-76.1	172.6	0	0	0	110.3	H164 E166 A167 N185 G186 T187 L189	H164-L183 HydrophobicContact CB-CD2 3.71Å; E166-L183 HydrophobicContact CG-CD2 3.88Å; E166-L183 WeakPolarHBondContact OE1-CD2 3.25Å; A167-L183 HydrophobicContact CB-CD2 3.82Å; A167-L183 HydrophobicContact CB-CG 4.36Å; L183-N185 WeakPolarHBondContact CB-OD1 3.41Å; L183-N185 PolarHBondContact O-N 3.31Å; L183-N185 VanDerWaalsContact O-N 3.08Å; L183-G186 WeakPolarHBondContact O-CA 3.27Å; L183-G186 PolarHBondContact O-N 3.36Å; L183-T187 HydrophobicContact CD1-CG2 4.25Å; L183-T187 PolarHBondContact N-O 2.68Å; L183-L189 HydrophobicContact CD1-CD1 3.85Å; L183-L189 HydrophobicContact CD1-CD2 4.29Å; L183-L189 HydrophobicContact CD1-CG 4.14Å; L183-L189 HydrophobicContact CD2-CD1 4.02Å; L183-L189 HydrophobicContact CG-CD1 3.7Å; L183-L189 HydrophobicContact CG-CG 4.16Å
184	P	89.7	Confident	73.6	Confident	108 Å²	108	35.1 Å²	35.1	70%	0.701	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.8	176.9	-28	35.4	0	0	0	114.4	E166 G186	E166-P184 HydrophobicContact CB-CG 4.09Å; E166-P184 HydrophobicContact CG-CG 3.93Å; P184-G186 PolarHBondContact O-N 3.49Å
185	N	92.4	Very high	73.9	Confident	120 Å²	120	38.4 Å²	38.4	64%	0.642	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	1.7	175.3	66.5	3.2	0	0	0	114	L183 T187	L183-N185 WeakPolarHBondContact CB-OD1 3.41Å; L183-N185 PolarHBondContact O-N 3.31Å; L183-N185 VanDerWaalsContact O-N 3.08Å; N185-T187 VanDerWaalsContact OD1-CB 3.24Å; N185-T187 WeakPolarHBondContact OD1-CB 3.05Å; N185-T187 PolarHBondContact OD1-N 2.94Å; N185-T187 PolarHBondContact OD1-OG1 3.03Å; N185-T187 VanDerWaalsContact OD1-OG1 3.13Å
186	G	87.6	Confident	74.2	Confident	34 Å²	34	43.9 Å²	43.9	35%	0.351	22%	0.224	S	C	.	.	S	Bend	trans	88.2	-6.7	-179.8	0	0	0	0	0	115.2	L183 P184 M188	L183-G186 WeakPolarHBondContact O-CA 3.27Å; L183-G186 PolarHBondContact O-N 3.36Å; P184-G186 PolarHBondContact O-N 3.49Å; G186-M188 PolarHBondContact O-N 3.48Å
187	T	89	Confident	74.2	Confident	68 Å²	68	52.5 Å²	52.5	42%	0.417	28%	0.276	S	S	.	.			trans	-63.2	133.3	177.5	-64	0	0	0	0	110.6	R182 L183 N185 L189	R182-T187 WeakPolarHBondContact CA-O 2.94Å; L183-T187 HydrophobicContact CD1-CG2 4.25Å; L183-T187 PolarHBondContact N-O 2.68Å; N185-T187 VanDerWaalsContact OD1-CB 3.24Å; N185-T187 WeakPolarHBondContact OD1-CB 3.05Å; N185-T187 PolarHBondContact OD1-N 2.94Å; N185-T187 PolarHBondContact OD1-OG1 3.03Å; N185-T187 VanDerWaalsContact OD1-OG1 3.13Å; T187-L189 HydrophobicContact CG2-CD2 4.36Å
188	M	83.9	Confident	75.1	Confident	67 Å²	67	54.4 Å²	54.4	33%	0.33	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.2	177.9	-54.5	-53.5	-67.2	0	0	110.4	F170 L180 Y181 R182 G186	F170-M188 HydrophobicContact CB-CE 3.78Å; F170-M188 HydrophobicContact CD1-CE 3.53Å; F170-M188 HydrophobicContact CE1-CE 4.35Å; F170-M188 HydrophobicContact CG-CE 3.7Å; L180-M188 HydrophobicContact CD1-CB 4.37Å; L180-M188 HydrophobicContact CD2-CB 4.38Å; L180-M188 HydrophobicContact CD2-CE 3.27Å; L180-M188 HydrophobicContact CG-CB 4.38Å; L180-M188 HydrophobicContact CG-CE 3.65Å; Y181-M188 CarbonylContact O-C 2.78Å; Y181-M188 VanDerWaalsContact O-CA 3.27Å; Y181-M188 WeakPolarHBondContact O-CA 3.35Å; R182-M188 HydrophobicContact CB-CE 4.09Å; R182-M188 HydrophobicContact CB-SD 3.84Å; R182-M188 HydrophobicContact CG-SD 3.77Å; R182-M188 PolarHBondContact NH1-SD 3.29Å; R182-M188 PolarHBondContact NH2-SD 2.03Å; R182-M188 VanDerWaalsContact NH2-SD 3.42Å; G186-M188 PolarHBondContact O-N 3.48Å
189	L	78.3	Confident	75.7	Confident	20 Å²	20	57.2 Å²	57.2	11%	0.105	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	135	175.9	-57.6	174.1	0	0	0	109.7	H164 A167 L180 Y181 L183 T187 D193	H164-L189 HydrophobicContact CB-CD1 4.09Å; H164-L189 VanDerWaalsContact CD2-CD1 3.43Å; H164-L189 WeakPolarHBondContact CD2-CD1 3.29Å; A167-L189 HydrophobicContact CB-CD1 4.36Å; L180-L189 CarbonylContact C-O 3.57Å; L180-L189 WeakPolarHBondContact CA-O 3.36Å; Y181-L189 PolarHBondContact N-O 3.24Å; Y181-L189 PolarHBondContact O-N 2.89Å; L183-L189 HydrophobicContact CD1-CD1 3.85Å; L183-L189 HydrophobicContact CD1-CD2 4.29Å; L183-L189 HydrophobicContact CD1-CG 4.14Å; L183-L189 HydrophobicContact CD2-CD1 4.02Å; L183-L189 HydrophobicContact CG-CD1 3.7Å; L183-L189 HydrophobicContact CG-CG 4.16Å; T187-L189 HydrophobicContact CG2-CD2 4.36Å; L189-D193 HydrophobicContact CB-CB 4.25Å; L189-D193 HydrophobicContact CD2-CB 4.21Å
190	S	73.1	Confident	76.2	Confident	9 Å²	9	60.3 Å²	60.3	6%	0.063	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	163.9	167.9	71.7	0	0	0	0	110.8	A192 D193 C194	S190-A192 PolarHBondContact O-N 2.85Å; S190-A192 VanDerWaalsContact O-N 3.16Å; S190-A192 PolarHBondContact OG-N 3.43Å; S190-D193 WeakPolarHBondContact CB-OD2 2.8Å; S190-D193 PolarHBondContact N-OD2 3.34Å; S190-D193 PolarHBondContact O-N 3.27Å; S190-D193 VanDerWaalsContact OG-CG 3.29Å; S190-D193 PolarHBondContact OG-N 2.98Å; S190-D193 PolarHBondContact OG-OD2 3.38Å; S190-C194 PolarHBondContact O-N 2.81Å
191	W	68.6	Low	76.5	Confident	61 Å²	61	61.5 Å²	61.5	23%	0.231	32%	0.324	C	S	.	.	H	α-helix	trans	-53.9	-32.6	169.4	-179.4	-115.2	0	0	0	113.2	T179 Y181 D193 C194 R195	T179-W191 PolarHBondContact O-N 2.73Å; Y181-W191 AromaticContact CE2-CE3 3.83Å; Y181-W191 HydrophobicContact CE2-CE3 3.83Å; Y181-W191 AromaticContact CZ-CE3 3.85Å; Y181-W191 WeakPolarHBondContact OH-CZ3 3.36Å; W191-D193 VanDerWaalsContact C-N 3.32Å; W191-D193 PolarHBondContact O-N 2.83Å; W191-C194 HydrophobicContact CE3-CB 4.36Å; W191-C194 PolarHBondContact O-N 2.89Å; W191-R195 PolarHBondContact O-N 3.38Å
192	A	66.2	Low	76.3	Confident	3 Å²	3	65.3 Å²	65.3	3%	0.025	34%	0.344	C	S	.	.	H	α-helix	trans	-69.6	-28.8	178.7	0	0	0	0	0	113.7	A51 L53 S190 C194 R196	A51-A192 HydrophobicContact CB-CB 3.41Å; A51-A192 VanDerWaalsContact CB-CB 3.41Å; A51-A192 WeakPolarHBondContact O-CB 3.07Å; L53-A192 HydrophobicContact CD2-CB 4.26Å; S190-A192 PolarHBondContact O-N 2.85Å; S190-A192 VanDerWaalsContact O-N 3.16Å; S190-A192 PolarHBondContact OG-N 3.43Å; A192-C194 VanDerWaalsContact C-N 3.33Å; A192-R196 PolarHBondContact O-NE 2.79Å
193	D	74.8	Confident	75.7	Confident	56 Å²	56	63.9 Å²	63.9	30%	0.299	35%	0.345	S	S	.	.	H	α-helix	trans	-72.1	-33.6	174.4	-56	-48.2	0	0	0	110.7	K163 L189 S190 W191	K163-D193 VanDerWaalsContact CD-O 3.31Å; K163-D193 WeakPolarHBondContact CD-O 3.31Å; L189-D193 HydrophobicContact CB-CB 4.25Å; L189-D193 HydrophobicContact CD2-CB 4.21Å; S190-D193 WeakPolarHBondContact CB-OD2 2.8Å; S190-D193 PolarHBondContact N-OD2 3.34Å; S190-D193 PolarHBondContact O-N 3.27Å; S190-D193 VanDerWaalsContact OG-CG 3.29Å; S190-D193 PolarHBondContact OG-N 2.98Å; S190-D193 PolarHBondContact OG-OD2 3.38Å; W191-D193 VanDerWaalsContact C-N 3.32Å; W191-D193 PolarHBondContact O-N 2.83Å
194	C	69.4	Low	74.9	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-74.8	-30.4	-179.2	-72.7	0	0	0	0	115.2	C161 K163 Y181 S190 W191 A192	C161-C194 HydrophobicContact CB-CB 3.94Å; C161-C194 WeakPolarHBondContact CB-SG 3.42Å; C161-C194 WeakPolarHBondContact SG-CA 3.06Å; C161-C194 WeakPolarHBondContact SG-CB 3.5Å; C161-C194 CovalentContact SG-SG 2.03Å; C161-C194 PolarHBondContact SG-SG 3.23Å; K163-C194 WeakPolarHBondContact CB-O 3.26Å; Y181-C194 VanDerWaalsContact CD2-SG 3.51Å; Y181-C194 HydrophobicContact CE2-CB 4.45Å; S190-C194 PolarHBondContact O-N 2.81Å; W191-C194 HydrophobicContact CE3-CB 4.36Å; W191-C194 PolarHBondContact O-N 2.89Å; A192-C194 VanDerWaalsContact C-N 3.33Å
195	R	62.5	Low	73.7	Confident	88 Å²	88	64 Å²	64	33%	0.332	34%	0.337	S	S	.	.	H	α-helix	trans	-88.8	-17.2	-177.4	67.9	-179.4	-84.8	-178.9	-3.9	114.8	C102 W191 V197	C102-R195 PolarHBondContact O-NH1 2.69Å; C102-R195 PolarHBondContact O-NH2 3.39Å; W191-R195 PolarHBondContact O-N 3.38Å; R195-V197 VanDerWaalsContact C-N 3.31Å; R195-V197 PolarHBondContact O-N 3.2Å
196	R	59.5	Low	72.2	Confident	119 Å²	119	59.3 Å²	59.3	45%	0.449	31%	0.311	S	S	.	.			trans	-77.9	86.3	177	-83.6	-172.1	-92	-173	-10	108.9	T50 K163 A192	T50-R196 VanDerWaalsContact CG2-NH2 3.29Å; T50-R196 PolarHBondContact O-NH2 3.08Å; K163-R196 PolarHBondContact NZ-O 3.49Å; A192-R196 PolarHBondContact O-NE 2.79Å
197	V	53	Low	70.8	Confident	187 Å²	187	61.6 Å²	61.6	100%	1.133	31%	0.308	S	S	*	.			trans	-81.5	0	164.7	-169.5	0	0	0	0	108.6	R195	R195-V197 VanDerWaalsContact C-N 3.31Å; R195-V197 PolarHBondContact O-N 3.2Å

Retrieved 197 of 197 residues in 1233.2 ms (Link to these results)

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