A0A077ZH70_TRITR Loading...

Kunitz BPTI domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZH70, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 149 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	38.8	Very low	45.8	Very low	250 Å²	250	122.5 Å²	122.5	100%	1.232	73%	0.727	S	S	*	*				0	98.7	0	-62.9	-143.5	-98.5	0	0	107.2
2	A	40.1	Very low	48.7	Very low	99 Å²	99	113.7 Å²	113.7	82%	0.818	68%	0.676	S	S	*	*			trans	-128.8	119.4	178.9	0	0	0	0	0	106.8
3	G	34.5	Very low	50.6	Low	75 Å²	75	115.5 Å²	115.5	77%	0.773	67%	0.673	S	S	*	*			trans	-58.5	135.4	-175	0	0	0	0	0	111.2	I5	G3-I5 PolarHBondContact O-N 3.44Å; G3-I5 VanDerWaalsContact O-N 3.16Å
4	R	36.8	Very low	52.1	Low	248 Å²	248	111 Å²	111	94%	0.936	64%	0.642	S	S	*	*			trans	-67.8	110.4	169.3	-68.8	178.7	177.9	176.8	-1.1	107.5	A6	R4-A6 PolarHBondContact O-N 2.87Å
5	I	37	Very low	53.1	Low	163 Å²	163	116.1 Å²	116.1	84%	0.836	65%	0.654	S	S	*	*			trans	-63.7	115.3	164.7	-60.5	174.4	0	0	0	106.1	G3	G3-I5 PolarHBondContact O-N 3.44Å; G3-I5 VanDerWaalsContact O-N 3.16Å
6	A	39.7	Very low	53.9	Low	81 Å²	81	115.8 Å²	115.8	67%	0.669	64%	0.639	S	S	*	*			trans	-63	131.7	174.5	0	0	0	0	0	108.9	R4 G8	R4-A6 PolarHBondContact O-N 2.87Å; A6-G8 PolarHBondContact O-N 2.56Å
7	P	44.5	Very low	54.4	Low	127 Å²	127	113.1 Å²	113.1	83%	0.825	62%	0.623	S	S	*	*	S	Bend	trans	-67.4	121.9	177.2	25.9	-30.8	0	0	0	110.3
8	G	45.7	Very low	54.5	Low	54 Å²	54	111.5 Å²	111.5	56%	0.557	62%	0.617	S	S	*	*			trans	51.1	71.2	154.4	0	0	0	0	0	115.4	A6 V10	A6-G8 PolarHBondContact O-N 2.56Å; G8-V10 VanDerWaalsContact C-N 3.31Å; G8-V10 PolarHBondContact O-N 2.96Å
9	L	51.9	Low	54.5	Low	156 Å²	156	110.6 Å²	110.6	82%	0.817	61%	0.607	S	S	*	*			trans	-61.4	96.5	169.3	-171.8	82.6	0	0	0	108	D11	L9-D11 PolarHBondContact O-N 2.96Å
10	V	62.5	Low	54.4	Low	38 Å²	38	114 Å²	114	23%	0.23	62%	0.623	C	S	.	*			trans	-49.1	108.4	173.2	172.3	0	0	0	0	107.5	G8 C12 F51 K60	G8-V10 VanDerWaalsContact C-N 3.31Å; G8-V10 PolarHBondContact O-N 2.96Å; V10-C12 PolarHBondContact O-N 2.75Å; V10-F51 HydrophobicContact CG1-CE1 3.56Å; V10-F51 HydrophobicContact CG1-CZ 3.45Å; V10-F51 VanDerWaalsContact CG1-CZ 3.45Å; V10-K60 HydrophobicContact CG1-CB 4.46Å; V10-K60 HydrophobicContact CG2-CD 3.97Å
11	D	72.3	Confident	54.2	Low	56 Å²	56	109.6 Å²	109.6	30%	0.299	60%	0.604	S	S	.	*			trans	-81.3	81.7	180	-175.7	3.6	0	0	0	108.6	L9 E13 Q14 E48	L9-D11 PolarHBondContact O-N 2.96Å; D11-E13 PolarHBondContact O-N 2.86Å; D11-E13 WeakPolarHBondContact OD1-CA 3.14Å; D11-E13 VanDerWaalsContact OD1-CB 3.23Å; D11-E13 WeakPolarHBondContact OD1-CB 3.37Å; D11-E13 PolarHBondContact OD1-N 2.75Å; D11-E13 VanDerWaalsContact OD1-N 3.09Å; D11-Q14 HydrophobicContact CB-CG 3.68Å; D11-Q14 WeakPolarHBondContact O-CB 3.23Å; D11-Q14 VanDerWaalsContact O-CG 3.31Å; D11-Q14 WeakPolarHBondContact O-CG 3.47Å; D11-Q14 PolarHBondContact O-N 3.25Å; D11-Q14 VanDerWaalsContact O-N 3.09Å; D11-Q14 WeakPolarHBondContact OD2-CG 3.23Å; D11-Q14 PolarHBondContact OD2-NE2 3.09Å; D11-E48 PolarHBondContact N-OE2 2.77Å
12	C	80.3	Confident	54.8	Low	17 Å²	17	105.8 Å²	105.8	12%	0.115	59%	0.589	C	S	.	*	T	Hydrogen-bonded Turn	trans	-56.4	-13.7	172.5	-64.8	0	0	0	0	111.9	V10 Q14 Y29 C61	V10-C12 PolarHBondContact O-N 2.75Å; C12-Q14 VanDerWaalsContact C-N 3.31Å; C12-Y29 HydrophobicContact CB-CD1 3.61Å; C12-Y29 HydrophobicContact CB-CE1 4.05Å; C12-Y29 HydrophobicContact CB-CG 4.48Å; C12-Y29 VanDerWaalsContact O-CD1 3.29Å; C12-Y29 WeakPolarHBondContact O-CD1 3.36Å; C12-C61 HydrophobicContact CB-CB 3.73Å; C12-C61 WeakPolarHBondContact CB-SG 3.25Å; C12-C61 WeakPolarHBondContact SG-CA 3.41Å; C12-C61 WeakPolarHBondContact SG-CB 3.07Å; C12-C61 CovalentContact SG-SG 2.04Å; C12-C61 PolarHBondContact SG-SG 3.26Å
13	E	74	Confident	55.5	Low	137 Å²	137	106 Å²	106	64%	0.64	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-5.8	179.9	-37.9	-157.3	145.7	0	0	113.5	D11 K15	D11-E13 PolarHBondContact O-N 2.86Å; D11-E13 WeakPolarHBondContact OD1-CA 3.14Å; D11-E13 VanDerWaalsContact OD1-CB 3.23Å; D11-E13 WeakPolarHBondContact OD1-CB 3.37Å; D11-E13 PolarHBondContact OD1-N 2.75Å; D11-E13 VanDerWaalsContact OD1-N 3.09Å; E13-K15 PolarHBondContact O-N 2.87Å
14	Q	71.8	Confident	56.8	Low	53 Å²	53	107 Å²	107	25%	0.248	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-71.2	122.9	-178.9	-63.4	176	-20.9	0	0	110.9	D11 C12 N47 N49	D11-Q14 HydrophobicContact CB-CG 3.68Å; D11-Q14 WeakPolarHBondContact O-CB 3.23Å; D11-Q14 VanDerWaalsContact O-CG 3.31Å; D11-Q14 WeakPolarHBondContact O-CG 3.47Å; D11-Q14 PolarHBondContact O-N 3.25Å; D11-Q14 VanDerWaalsContact O-N 3.09Å; D11-Q14 WeakPolarHBondContact OD2-CG 3.23Å; D11-Q14 PolarHBondContact OD2-NE2 3.09Å; C12-Q14 VanDerWaalsContact C-N 3.31Å; Q14-N47 HydrophobicContact CB-CB 4.46Å; Q14-N47 WeakPolarHBondContact CB-ND2 3.4Å; Q14-N49 HydrophobicContact CB-CB 4.1Å; Q14-N49 PolarHBondContact O-ND2 3.16Å
15	K	67.1	Low	57.9	Low	187 Å²	187	99.9 Å²	99.9	81%	0.813	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-56.3	144.7	170.2	-64.6	-174.3	179	-176.5	0	110.1	E13 L17 N47	E13-K15 PolarHBondContact O-N 2.87Å; K15-L17 PolarHBondContact O-N 3.26Å; K15-N47 PolarHBondContact O-ND2 3.3Å
16	R	65.5	Low	59.7	Low	111 Å²	111	92.8 Å²	92.8	42%	0.419	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-49.1	126.3	173.9	179.6	-173.8	178.6	-162.2	0.7	110.9	T18 Y28	R16-T18 PolarHBondContact O-N 2.76Å; R16-Y28 HydrophobicContact CB-CD2 4.22Å; R16-Y28 HydrophobicContact CB-CE2 3.99Å; R16-Y28 HydrophobicContact CG-CE2 4.42Å
17	L	61.6	Low	61.8	Low	71 Å²	71	91.7 Å²	91.7	37%	0.372	49%	0.493	S	S	.	.			trans	-88	100.2	163.2	-69	178.9	0	0	0	109	K15 F19 K45 N47	K15-L17 PolarHBondContact O-N 3.26Å; L17-F19 HydrophobicContact CB-CD2 4.25Å; L17-F19 HydrophobicContact CB-CE2 4.03Å; L17-F19 PolarHBondContact O-N 3.5Å; L17-F19 VanDerWaalsContact O-N 3.13Å; L17-K45 VanDerWaalsContact CD1-O 3.25Å; L17-K45 WeakPolarHBondContact CD1-O 3.44Å; L17-N47 HydrophobicContact CD1-CB 3.85Å; L17-N47 HydrophobicContact CG-CB 4.45Å
18	T	56.3	Low	63.7	Low	84 Å²	84	87.3 Å²	87.3	52%	0.515	46%	0.46	S	S	.	.			trans	-75.9	94.7	177.9	-27.2	0	0	0	0	109.6	R16	R16-T18 PolarHBondContact O-N 2.76Å
19	F	54.3	Low	65.6	Low	95 Å²	95	85.7 Å²	85.7	42%	0.417	44%	0.437	S	S	.	.			trans	-116.1	114	161.8	-63.1	-70.1	0	0	0	108.3	L17 G21 G42 K45	L17-F19 HydrophobicContact CB-CD2 4.25Å; L17-F19 HydrophobicContact CB-CE2 4.03Å; L17-F19 PolarHBondContact O-N 3.5Å; L17-F19 VanDerWaalsContact O-N 3.13Å; F19-G21 PolarHBondContact O-N 3.06Å; F19-G21 VanDerWaalsContact O-N 3.11Å; F19-G42 PolarHBondContact O-N 3.33Å; F19-K45 HydrophobicContact CD2-CB 4.21Å; F19-K45 HydrophobicContact CE2-CB 3.83Å; F19-K45 HydrophobicContact CZ-CB 4.46Å
20	L	52.4	Low	67.1	Low	177 Å²	177	79.5 Å²	79.5	93%	0.927	41%	0.406	S	S	*	.			trans	-58.5	112	175.1	-66.1	171.7	0	0	0	108.8
21	G	50.8	Low	67.9	Low	22 Å²	22	81.4 Å²	81.4	23%	0.227	41%	0.412	C	S	.	.			trans	-160	153.6	166.3	0	0	0	0	0	111.8	F19 G42	F19-G21 PolarHBondContact O-N 3.06Å; F19-G21 VanDerWaalsContact O-N 3.11Å; G21-G42 VanDerWaalsContact CA-CA 3.41Å
22	N	51.3	Low	67.9	Low	171 Å²	171	83.7 Å²	83.7	91%	0.914	42%	0.424	S	S	*	.			trans	-97	85.2	-170.5	-73.6	-40.9	0	0	0	110.9
23	N	54.9	Low	67.7	Low	103 Å²	103	85.3 Å²	85.3	55%	0.551	43%	0.432	S	S	*	.			trans	-153.4	155.9	172.9	-139	3.1	0	0	0	110.6
24	P	61.7	Low	68	Low	97 Å²	97	79.4 Å²	79.4	63%	0.63	41%	0.405	S	S	*	.			trans	-70	140.6	-148.3	26.7	-34.1	0	0	0	113.8	V26	P24-V26 PolarHBondContact O-N 3.34Å
25	N	59.9	Low	68.6	Low	97 Å²	97	81.4 Å²	81.4	52%	0.519	41%	0.414	S	S	.	.			trans	-11.3	112.9	172	-51.3	-26.1	0	0	0	115
26	V	75.3	Confident	69.6	Low	15 Å²	15	73.1 Å²	73.1	9%	0.091	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	157.1	166.6	-70.7	0	0	0	0	109.4	P24 F38 F39 Y41 N50 F51	P24-V26 PolarHBondContact O-N 3.34Å; V26-F38 CarbonylContact O-C 3.46Å; V26-F38 WeakPolarHBondContact O-CA 3.42Å; V26-F39 HydrophobicContact CB-CE1 4.17Å; V26-F39 HydrophobicContact CG2-CD1 3.66Å; V26-F39 HydrophobicContact CG2-CD2 4.41Å; V26-F39 HydrophobicContact CG2-CE1 3.28Å; V26-F39 HydrophobicContact CG2-CE2 4.08Å; V26-F39 HydrophobicContact CG2-CG 4.24Å; V26-F39 HydrophobicContact CG2-CZ 3.51Å; V26-F39 PolarHBondContact N-O 2.93Å; V26-F39 WeakPolarHBondContact O-CD1 3.29Å; V26-F39 PolarHBondContact O-N 3.04Å; V26-Y41 HydrophobicContact CG2-CG 4.19Å; V26-N50 VanDerWaalsContact CB-OD1 3.28Å; V26-N50 WeakPolarHBondContact CB-OD1 3.28Å; V26-N50 VanDerWaalsContact CG1-OD1 3.29Å; V26-N50 WeakPolarHBondContact CG1-OD1 3.41Å; V26-F51 CarbonylContact C-O 3.55Å; V26-F51 VanDerWaalsContact CA-O 3.27Å; V26-F51 WeakPolarHBondContact CA-O 3.36Å; V26-F51 WeakPolarHBondContact CB-O 3.41Å
27	Y	84.6	Confident	70.5	Confident	57 Å²	57	71 Å²	71	22%	0.224	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	148.8	177	-69.1	-99.7	0	0	0	110	C36 H37 F38 N50 F51 Q54	Y27-C36 HydrophobicContact CD1-CB 4.45Å; Y27-H37 CarbonylContact C-O 3.42Å; Y27-H37 VanDerWaalsContact CA-O 3.24Å; Y27-H37 WeakPolarHBondContact CA-O 3.43Å; Y27-F38 HydrophobicContact CD1-CB 4.41Å; Y27-F38 HydrophobicContact CE1-CB 4.17Å; Y27-N50 CarbonylContact O-C 3.58Å; Y27-N50 WeakPolarHBondContact O-CA 3.29Å; Y27-F51 PolarHBondContact N-O 2.56Å; Y27-F51 WeakPolarHBondContact O-CD2 3.27Å; Y27-F51 PolarHBondContact O-N 2.93Å; Y27-Q54 HydrophobicContact CD1-CB 3.8Å; Y27-Q54 HydrophobicContact CD1-CG 4.04Å; Y27-Q54 HydrophobicContact CD2-CB 4.45Å; Y27-Q54 HydrophobicContact CE1-CB 3.43Å; Y27-Q54 VanDerWaalsContact CE1-CB 3.43Å; Y27-Q54 HydrophobicContact CE1-CG 3.79Å; Y27-Q54 HydrophobicContact CE2-CB 4.14Å; Y27-Q54 HydrophobicContact CG-CB 4.29Å
28	Y	84.3	Confident	71.5	Confident	36 Å²	36	74 Å²	74	14%	0.141	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.5	168.8	72.3	-65.6	0	0	0	108.2	R16 V30 C36 H37 F39 N49	R16-Y28 HydrophobicContact CB-CD2 4.22Å; R16-Y28 HydrophobicContact CB-CE2 3.99Å; R16-Y28 HydrophobicContact CG-CE2 4.42Å; Y28-V30 HydrophobicContact CD2-CG2 4.08Å; Y28-V30 HydrophobicContact CE2-CG2 3.46Å; Y28-V30 VanDerWaalsContact CE2-CG2 3.46Å; Y28-C36 CarbonylContact O-C 3.6Å; Y28-C36 WeakPolarHBondContact O-CA 3.31Å; Y28-H37 HydrophobicContact CD1-CB 4.11Å; Y28-H37 WeakPolarHBondContact CD1-O 3.29Å; Y28-H37 HydrophobicContact CE1-CB 3.47Å; Y28-H37 VanDerWaalsContact CE1-CB 3.47Å; Y28-H37 PolarHBondContact N-O 3.44Å; Y28-H37 PolarHBondContact O-N 3.13Å; Y28-F39 HydrophobicContact CD1-CB 4.11Å; Y28-F39 AromaticContact CD1-CD1 3.33Å; Y28-F39 HydrophobicContact CD1-CD1 3.33Å; Y28-F39 AromaticContact CD1-CE1 3.96Å; Y28-F39 HydrophobicContact CD1-CE1 3.96Å; Y28-F39 AromaticContact CD1-CG 3.97Å; Y28-F39 HydrophobicContact CD1-CG 3.97Å; Y28-F39 HydrophobicContact CE1-CB 3.98Å; Y28-F39 HydrophobicContact CE1-CD1 4.09Å; Y28-F39 HydrophobicContact CE1-CG 4.29Å; Y28-F39 AromaticContact CG-CD1 4Å; Y28-F39 HydrophobicContact CG-CD1 4Å; Y28-F39 HydrophobicContact CG-CE1 4.16Å; Y28-N49 WeakPolarHBondContact CA-OD1 3.45Å; Y28-N49 VanDerWaalsContact CB-O 3.29Å; Y28-N49 WeakPolarHBondContact CB-O 3.05Å
29	Y	85.4	Confident	72.2	Confident	19 Å²	19	70.7 Å²	70.7	8%	0.075	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.2	176.6	173.7	-115.1	0	0	0	110.1	C12 Q31 D34 N49 C61 L62	C12-Y29 HydrophobicContact CB-CD1 3.61Å; C12-Y29 HydrophobicContact CB-CE1 4.05Å; C12-Y29 HydrophobicContact CB-CG 4.48Å; C12-Y29 VanDerWaalsContact O-CD1 3.29Å; C12-Y29 WeakPolarHBondContact O-CD1 3.36Å; Y29-Q31 HydrophobicContact CD1-CG 4.08Å; Y29-Q31 HydrophobicContact CE1-CB 4.17Å; Y29-Q31 HydrophobicContact CE1-CG 3.74Å; Y29-D34 PolarHBondContact OH-OD1 3.26Å; Y29-N49 PolarHBondContact N-OD1 2.87Å; Y29-N49 PolarHBondContact O-ND2 3.28Å; Y29-C61 VanDerWaalsContact CB-SG 3.58Å; Y29-C61 HydrophobicContact CD1-CB 3.67Å; Y29-C61 HydrophobicContact CD2-CB 3.78Å; Y29-C61 HydrophobicContact CE1-CB 4.16Å; Y29-C61 HydrophobicContact CE2-CB 4.33Å; Y29-C61 HydrophobicContact CG-CB 3.4Å; Y29-L62 HydrophobicContact CD2-CD2 4.08Å; Y29-L62 HydrophobicContact CD2-CG 4.18Å; Y29-L62 HydrophobicContact CE2-CD2 3.33Å; Y29-L62 HydrophobicContact CE2-CG 3.93Å
30	V	83.6	Confident	72.8	Confident	26 Å²	26	71 Å²	71	16%	0.158	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	104	173.4	-176.6	0	0	0	0	107.2	Y28 D32 L33 D34 E35 H37	Y28-V30 HydrophobicContact CD2-CG2 4.08Å; Y28-V30 HydrophobicContact CE2-CG2 3.46Å; Y28-V30 VanDerWaalsContact CE2-CG2 3.46Å; V30-D32 VanDerWaalsContact C-N 3.3Å; V30-D32 PolarHBondContact O-N 3.47Å; V30-L33 HydrophobicContact CB-CB 4.26Å; V30-L33 HydrophobicContact CB-CD1 4.41Å; V30-L33 HydrophobicContact CB-CG 4.46Å; V30-L33 HydrophobicContact CG1-CB 4.05Å; V30-L33 HydrophobicContact CG1-CD1 3.93Å; V30-L33 HydrophobicContact CG1-CG 3.79Å; V30-L33 PolarHBondContact O-N 3Å; V30-L33 VanDerWaalsContact O-N 3.16Å; V30-D34 PolarHBondContact O-N 3.03Å; V30-E35 PolarHBondContact N-O 3.47Å; V30-E35 PolarHBondContact O-N 3.11Å; V30-H37 HydrophobicContact CG2-CB 4.07Å
31	Q	78	Confident	73.2	Confident	78 Å²	78	64.7 Å²	64.7	36%	0.364	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-54.7	-45	-177	-59	-173.7	-70.9	0	0	113	Y29 L33 D34	Y29-Q31 HydrophobicContact CD1-CG 4.08Å; Y29-Q31 HydrophobicContact CE1-CB 4.17Å; Y29-Q31 HydrophobicContact CE1-CG 3.74Å; Q31-L33 PolarHBondContact O-N 2.92Å; Q31-D34 PolarHBondContact O-N 3.09Å; Q31-D34 VanDerWaalsContact O-N 3.16Å
32	D	72.4	Confident	73.7	Confident	104 Å²	104	64.9 Å²	64.9	56%	0.556	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-66.7	-21.4	-175	-62.9	-34	0	0	0	113.2	V30	V30-D32 VanDerWaalsContact C-N 3.3Å; V30-D32 PolarHBondContact O-N 3.47Å
33	L	77.3	Confident	74.1	Confident	51 Å²	51	59 Å²	59	27%	0.267	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-103.8	-9.9	179.2	-60.7	-178.8	0	0	0	112.3	V30 Q31 E35	V30-L33 HydrophobicContact CB-CB 4.26Å; V30-L33 HydrophobicContact CB-CD1 4.41Å; V30-L33 HydrophobicContact CB-CG 4.46Å; V30-L33 HydrophobicContact CG1-CB 4.05Å; V30-L33 HydrophobicContact CG1-CD1 3.93Å; V30-L33 HydrophobicContact CG1-CG 3.79Å; V30-L33 PolarHBondContact O-N 3Å; V30-L33 VanDerWaalsContact O-N 3.16Å; Q31-L33 PolarHBondContact O-N 2.92Å; L33-E35 HydrophobicContact CB-CB 3.9Å; L33-E35 HydrophobicContact CB-CG 4.13Å; L33-E35 WeakPolarHBondContact O-CG 3.47Å; L33-E35 PolarHBondContact O-N 3.11Å
34	D	79.7	Confident	74.5	Confident	14 Å²	14	57.7 Å²	57.7	8%	0.075	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	40	-165.4	-82	-38.5	0	0	0	111.8	Y29 V30 Q31 L62 K65 I122	Y29-D34 PolarHBondContact OH-OD1 3.26Å; V30-D34 PolarHBondContact O-N 3.03Å; Q31-D34 PolarHBondContact O-N 3.09Å; Q31-D34 VanDerWaalsContact O-N 3.16Å; D34-L62 HydrophobicContact CB-CD2 4.1Å; D34-L62 WeakPolarHBondContact O-CD1 2.98Å; D34-L62 WeakPolarHBondContact O-CD2 3.34Å; D34-K65 VanDerWaalsContact OD1-CE 3.32Å; D34-K65 WeakPolarHBondContact OD1-CE 3.48Å; D34-K65 IonicContact OD1-NZ 2.74Å; D34-K65 PolarHBondContact OD1-NZ 2.73Å; D34-K65 WeakPolarHBondContact OD2-CD 3.39Å; D34-K65 WeakPolarHBondContact OD2-CE 3.34Å; D34-K65 IonicContact OD2-NZ 3.84Å; D34-K65 PolarHBondContact OD2-NZ 2.93Å; D34-I122 WeakPolarHBondContact OD2-CD1 3.22Å
35	E	84	Confident	74.6	Confident	94 Å²	94	60.8 Å²	60.8	44%	0.439	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	147	-173	-78.4	173.4	-162.5	0	0	112.5	V30 L33 H37	V30-E35 PolarHBondContact N-O 3.47Å; V30-E35 PolarHBondContact O-N 3.11Å; L33-E35 HydrophobicContact CB-CB 3.9Å; L33-E35 HydrophobicContact CB-CG 4.13Å; L33-E35 WeakPolarHBondContact O-CG 3.47Å; L33-E35 PolarHBondContact O-N 3.11Å; E35-H37 IonicContact OE2-CD2 3.65Å; E35-H37 IonicContact OE2-CE1 3.47Å; E35-H37 IonicContact OE2-NE2 2.71Å; E35-H37 PolarHBondContact OE2-NE2 3.09Å
36	C	87.6	Confident	74.9	Confident	14 Å²	14	57.7 Å²	57.7	10%	0.095	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	106.5	171.4	-74.5	0	0	0	0	110.2	Y27 Y28 Q54 C57 E58	Y27-C36 HydrophobicContact CD1-CB 4.45Å; Y28-C36 CarbonylContact O-C 3.6Å; Y28-C36 WeakPolarHBondContact O-CA 3.31Å; C36-Q54 HydrophobicContact CB-CG 4.38Å; C36-C57 HydrophobicContact CB-CB 3.67Å; C36-C57 WeakPolarHBondContact CB-SG 3.35Å; C36-C57 WeakPolarHBondContact SG-CB 3.24Å; C36-C57 CovalentContact SG-SG 2.02Å; C36-C57 PolarHBondContact SG-SG 2.85Å; C36-E58 HydrophobicContact CB-CG 4.14Å; C36-E58 PolarHBondContact SG-N 2.9Å; C36-E58 VanDerWaalsContact SG-N 3.39Å
37	H	85.4	Confident	74.6	Confident	65 Å²	65	58.8 Å²	58.8	30%	0.301	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	147.1	-178.8	-79.3	-131.5	0	0	0	110.4	Y27 Y28 V30 E35	Y27-H37 CarbonylContact C-O 3.42Å; Y27-H37 VanDerWaalsContact CA-O 3.24Å; Y27-H37 WeakPolarHBondContact CA-O 3.43Å; Y28-H37 HydrophobicContact CD1-CB 4.11Å; Y28-H37 WeakPolarHBondContact CD1-O 3.29Å; Y28-H37 HydrophobicContact CE1-CB 3.47Å; Y28-H37 VanDerWaalsContact CE1-CB 3.47Å; Y28-H37 PolarHBondContact N-O 3.44Å; Y28-H37 PolarHBondContact O-N 3.13Å; V30-H37 HydrophobicContact CG2-CB 4.07Å; E35-H37 IonicContact OE2-CD2 3.65Å; E35-H37 IonicContact OE2-CE1 3.47Å; E35-H37 IonicContact OE2-NE2 2.71Å; E35-H37 PolarHBondContact OE2-NE2 3.09Å
38	F	83	Confident	74.3	Confident	135 Å²	135	60.7 Å²	60.7	59%	0.592	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	147.7	171	76.5	-87.8	0	0	0	110.4	V26 Y27	V26-F38 CarbonylContact O-C 3.46Å; V26-F38 WeakPolarHBondContact O-CA 3.42Å; Y27-F38 HydrophobicContact CD1-CB 4.41Å; Y27-F38 HydrophobicContact CE1-CB 4.17Å
39	F	70.3	Confident	74.2	Confident	14 Å²	14	59.1 Å²	59.1	6%	0.061	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	159.7	167.9	77.8	-70.9	0	0	0	111.8	V26 Y28 Y41	V26-F39 HydrophobicContact CB-CE1 4.17Å; V26-F39 HydrophobicContact CG2-CD1 3.66Å; V26-F39 HydrophobicContact CG2-CD2 4.41Å; V26-F39 HydrophobicContact CG2-CE1 3.28Å; V26-F39 HydrophobicContact CG2-CE2 4.08Å; V26-F39 HydrophobicContact CG2-CG 4.24Å; V26-F39 HydrophobicContact CG2-CZ 3.51Å; V26-F39 PolarHBondContact N-O 2.93Å; V26-F39 WeakPolarHBondContact O-CD1 3.29Å; V26-F39 PolarHBondContact O-N 3.04Å; Y28-F39 HydrophobicContact CD1-CB 4.11Å; Y28-F39 AromaticContact CD1-CD1 3.33Å; Y28-F39 HydrophobicContact CD1-CD1 3.33Å; Y28-F39 AromaticContact CD1-CE1 3.96Å; Y28-F39 HydrophobicContact CD1-CE1 3.96Å; Y28-F39 AromaticContact CD1-CG 3.97Å; Y28-F39 HydrophobicContact CD1-CG 3.97Å; Y28-F39 HydrophobicContact CE1-CB 3.98Å; Y28-F39 HydrophobicContact CE1-CD1 4.09Å; Y28-F39 HydrophobicContact CE1-CG 4.29Å; Y28-F39 AromaticContact CG-CD1 4Å; Y28-F39 HydrophobicContact CG-CD1 4Å; Y28-F39 HydrophobicContact CG-CE1 4.16Å; F39-Y41 AromaticContact CE2-CD2 3.94Å; F39-Y41 HydrophobicContact CE2-CD2 3.94Å; F39-Y41 HydrophobicContact CE2-CG 4.17Å; F39-Y41 HydrophobicContact CZ-CD2 4.22Å; F39-Y41 HydrophobicContact CZ-CG 4.31Å
40	H	67.4	Low	73.9	Confident	102 Å²	102	60.1 Å²	60.1	47%	0.472	32%	0.322	S	S	.	.			trans	-84.1	119.4	169	-64.8	-69.5	0	0	0	109.4
41	Y	60.3	Low	73.9	Confident	45 Å²	45	59 Å²	59	18%	0.176	32%	0.315	C	S	.	.			trans	-107.1	123.6	178.7	174.9	-118.6	0	0	0	110.4	V26 F39 G43 S44 G46 N50	V26-Y41 HydrophobicContact CG2-CG 4.19Å; F39-Y41 AromaticContact CE2-CD2 3.94Å; F39-Y41 HydrophobicContact CE2-CD2 3.94Å; F39-Y41 HydrophobicContact CE2-CG 4.17Å; F39-Y41 HydrophobicContact CZ-CD2 4.22Å; F39-Y41 HydrophobicContact CZ-CG 4.31Å; Y41-G43 PolarHBondContact O-N 3.45Å; Y41-S44 PolarHBondContact OH-N 2.84Å; Y41-G46 VanDerWaalsContact OH-CA 3.23Å; Y41-G46 WeakPolarHBondContact OH-CA 3.17Å; Y41-G46 PolarHBondContact OH-N 2.96Å; Y41-N50 WeakPolarHBondContact CD1-ND2 3Å
42	G	61.7	Low	74.1	Confident	26 Å²	26	63.4 Å²	63.4	27%	0.268	33%	0.333	S	S	.	.			trans	-71.1	10.1	-177.5	0	0	0	0	0	116.6	F19 G21 S44	F19-G42 PolarHBondContact O-N 3.33Å; G21-G42 VanDerWaalsContact CA-CA 3.41Å; G42-S44 VanDerWaalsContact C-N 3.29Å; G42-S44 PolarHBondContact O-N 2.97Å
43	G	60.4	Low	74.8	Confident	46 Å²	46	61.3 Å²	61.3	47%	0.474	32%	0.324	S	S	.	.	S	Bend	trans	78.8	-0.4	169.3	0	0	0	0	0	116	Y41	Y41-G43 PolarHBondContact O-N 3.45Å
44	S	61.9	Low	75.3	Confident	76 Å²	76	62.3 Å²	62.3	53%	0.531	33%	0.327	S	S	.	.	S	Bend	trans	-144.1	145	175	57	0	0	0	0	111.7	Y41 G42	Y41-S44 PolarHBondContact OH-N 2.84Å; G42-S44 VanDerWaalsContact C-N 3.29Å; G42-S44 PolarHBondContact O-N 2.97Å
45	K	64	Low	75.7	Confident	162 Å²	162	67.5 Å²	67.5	70%	0.704	35%	0.351	S	S	*	.	S	Bend	trans	65.5	31.2	178.9	-52.7	-177.3	-179.8	-179.8	0	117	L17 F19	L17-K45 VanDerWaalsContact CD1-O 3.25Å; L17-K45 WeakPolarHBondContact CD1-O 3.44Å; F19-K45 HydrophobicContact CD2-CB 4.21Å; F19-K45 HydrophobicContact CE2-CB 3.83Å; F19-K45 HydrophobicContact CZ-CB 4.46Å
46	G	66	Low	75.9	Confident	33 Å²	33	65.9 Å²	65.9	34%	0.34	34%	0.343	S	S	.	.			trans	-74.7	170.4	170.8	0	0	0	0	0	112.8	Y41	Y41-G46 VanDerWaalsContact OH-CA 3.23Å; Y41-G46 WeakPolarHBondContact OH-CA 3.17Å; Y41-G46 PolarHBondContact OH-N 2.96Å
47	N	69.9	Low	75.9	Confident	37 Å²	37	65.2 Å²	65.2	20%	0.198	34%	0.339	C	S	.	.			trans	-113.6	-175.4	175.6	67	10.6	0	0	0	110	Q14 K15 L17 N49 N50	Q14-N47 HydrophobicContact CB-CB 4.46Å; Q14-N47 WeakPolarHBondContact CB-ND2 3.4Å; K15-N47 PolarHBondContact O-ND2 3.3Å; L17-N47 HydrophobicContact CD1-CB 3.85Å; L17-N47 HydrophobicContact CG-CB 4.45Å; N47-N49 VanDerWaalsContact C-N 3.29Å; N47-N49 PolarHBondContact O-N 3.17Å; N47-N49 PolarHBondContact OD1-N 2.81Å; N47-N50 WeakPolarHBondContact O-CB 3.45Å
48	E	78.6	Confident	76.1	Confident	98 Å²	98	64.3 Å²	64.3	46%	0.458	34%	0.335	S	S	.	.	S	Bend	trans	-75.2	-17.9	-174.4	-63.7	-171.9	163.6	0	0	113.3	D11 N50	D11-E48 PolarHBondContact N-OE2 2.77Å; E48-N50 PolarHBondContact O-N 2.89Å
49	N	81.2	Confident	76.2	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.016	33%	0.33	C	S	.	.	S	Bend	trans	-76.3	59.9	171.1	-167.5	6	0	0	0	111.3	Q14 Y28 Y29 N47 F51	Q14-N49 HydrophobicContact CB-CB 4.1Å; Q14-N49 PolarHBondContact O-ND2 3.16Å; Y28-N49 WeakPolarHBondContact CA-OD1 3.45Å; Y28-N49 VanDerWaalsContact CB-O 3.29Å; Y28-N49 WeakPolarHBondContact CB-O 3.05Å; Y29-N49 PolarHBondContact N-OD1 2.87Å; Y29-N49 PolarHBondContact O-ND2 3.28Å; N47-N49 VanDerWaalsContact C-N 3.29Å; N47-N49 PolarHBondContact O-N 3.17Å; N47-N49 PolarHBondContact OD1-N 2.81Å; N49-F51 VanDerWaalsContact OD1-CE2 3.29Å; N49-F51 WeakPolarHBondContact OD1-CE2 3.29Å
50	N	79.3	Confident	77	Confident	40 Å²	40	64.8 Å²	64.8	21%	0.214	35%	0.347	C	S	.	.			trans	-149.7	111.7	-175.1	-171.4	-31	0	0	0	109.9	V26 Y27 Y41 N47 E48	V26-N50 VanDerWaalsContact CB-OD1 3.28Å; V26-N50 WeakPolarHBondContact CB-OD1 3.28Å; V26-N50 VanDerWaalsContact CG1-OD1 3.29Å; V26-N50 WeakPolarHBondContact CG1-OD1 3.41Å; Y27-N50 CarbonylContact O-C 3.58Å; Y27-N50 WeakPolarHBondContact O-CA 3.29Å; Y41-N50 WeakPolarHBondContact CD1-ND2 3Å; N47-N50 WeakPolarHBondContact O-CB 3.45Å; E48-N50 PolarHBondContact O-N 2.89Å
51	F	84.2	Confident	78	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.009	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-124.6	145.3	-171.6	-49.2	-73.2	0	0	0	111	V10 V26 Y27 N49 T53 E56 C57 K60 C61	V10-F51 HydrophobicContact CG1-CE1 3.56Å; V10-F51 HydrophobicContact CG1-CZ 3.45Å; V10-F51 VanDerWaalsContact CG1-CZ 3.45Å; V26-F51 CarbonylContact C-O 3.55Å; V26-F51 VanDerWaalsContact CA-O 3.27Å; V26-F51 WeakPolarHBondContact CA-O 3.36Å; V26-F51 WeakPolarHBondContact CB-O 3.41Å; Y27-F51 PolarHBondContact N-O 2.56Å; Y27-F51 WeakPolarHBondContact O-CD2 3.27Å; Y27-F51 PolarHBondContact O-N 2.93Å; N49-F51 VanDerWaalsContact OD1-CE2 3.29Å; N49-F51 WeakPolarHBondContact OD1-CE2 3.29Å; F51-T53 VanDerWaalsContact C-N 3.34Å; F51-E56 HydrophobicContact CB-CB 4.2Å; F51-E56 HydrophobicContact CB-CG 4.18Å; F51-E56 HydrophobicContact CD1-CG 4Å; F51-E56 HydrophobicContact CG-CG 4.49Å; F51-C57 HydrophobicContact CB-CB 3.8Å; F51-C57 VanDerWaalsContact CD2-CA 3.45Å; F51-C57 HydrophobicContact CD2-CB 3.22Å; F51-C57 WeakPolarHBondContact CD2-SG 3.35Å; F51-C57 HydrophobicContact CE2-CB 3.89Å; F51-C57 VanDerWaalsContact CE2-SG 3.6Å; F51-C57 VanDerWaalsContact CG-CA 3.46Å; F51-C57 HydrophobicContact CG-CB 3.59Å; F51-K60 HydrophobicContact CD1-CD 3.73Å; F51-K60 HydrophobicContact CE1-CB 4.1Å; F51-K60 HydrophobicContact CE1-CD 3.43Å; F51-K60 VanDerWaalsContact CE1-CD 3.43Å; F51-K60 HydrophobicContact CE1-CG 4.42Å; F51-K60 HydrophobicContact CZ-CB 4.47Å; F51-K60 HydrophobicContact CZ-CD 4.5Å; F51-C61 WeakPolarHBondContact CZ-SG 3.4Å
52	K	82.2	Confident	79.1	Confident	171 Å²	171	58.9 Å²	58.9	74%	0.743	32%	0.323	S	S	*	.	S	Bend	trans	-75.7	-27.5	-178	-66.9	-179.8	-179.7	178	0	112.6	E56	K52-E56 PolarHBondContact N-OE2 2.79Å
53	T	86.3	Confident	80	Confident	59 Å²	59	63.7 Å²	63.7	36%	0.362	34%	0.337	S	S	.	.	S	Bend	trans	-134.8	157.2	-178.2	69.5	0	0	0	0	110.7	F51 Q55 E56 C57	F51-T53 VanDerWaalsContact C-N 3.34Å; T53-Q55 VanDerWaalsContact C-N 3.25Å; T53-Q55 PolarHBondContact O-N 2.04Å; T53-E56 PolarHBondContact O-N 2.75Å; T53-E56 WeakPolarHBondContact OG1-CB 3.41Å; T53-E56 PolarHBondContact OG1-N 3.2Å; T53-E56 VanDerWaalsContact OG1-N 3.09Å; T53-C57 PolarHBondContact O-N 3.35Å
54	Q	87.8	Confident	80.8	Confident	73 Å²	73	67.1 Å²	67.1	34%	0.341	35%	0.345	S	S	.	.	H	α-helix	trans	-56.6	-45.9	173.3	-169.2	176.4	-20.2	0	0	110.1	Y27 C36 E56 C57 E58	Y27-Q54 HydrophobicContact CD1-CB 3.8Å; Y27-Q54 HydrophobicContact CD1-CG 4.04Å; Y27-Q54 HydrophobicContact CD2-CB 4.45Å; Y27-Q54 HydrophobicContact CE1-CB 3.43Å; Y27-Q54 VanDerWaalsContact CE1-CB 3.43Å; Y27-Q54 HydrophobicContact CE1-CG 3.79Å; Y27-Q54 HydrophobicContact CE2-CB 4.14Å; Y27-Q54 HydrophobicContact CG-CB 4.29Å; C36-Q54 HydrophobicContact CB-CG 4.38Å; Q54-E56 VanDerWaalsContact C-N 3.28Å; Q54-E56 PolarHBondContact O-N 2.88Å; Q54-C57 WeakPolarHBondContact O-CB 3.39Å; Q54-C57 PolarHBondContact O-N 3.16Å; Q54-C57 VanDerWaalsContact O-N 3.08Å; Q54-E58 HydrophobicContact CG-CG 4.16Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.46Å; Q54-E58 PolarHBondContact NE2-OE1 3.04Å; Q54-E58 VanDerWaalsContact O-CG 3.27Å; Q54-E58 WeakPolarHBondContact O-CG 3.28Å; Q54-E58 PolarHBondContact O-N 2.76Å
55	Q	87.4	Confident	81.4	Confident	122 Å²	122	67.5 Å²	67.5	57%	0.57	34%	0.337	S	S	*	.	H	α-helix	trans	-62.5	-35.6	-178	-61.5	77.6	20.6	0	0	112.1	T53 A59	T53-Q55 VanDerWaalsContact C-N 3.25Å; T53-Q55 PolarHBondContact O-N 2.04Å; Q55-A59 WeakPolarHBondContact O-CB 3.48Å; Q55-A59 PolarHBondContact O-N 2.81Å
56	E	88.2	Confident	81.8	Confident	60 Å²	60	63.3 Å²	63.3	28%	0.28	32%	0.322	S	S	.	.	H	α-helix	trans	-66	-44.2	175.4	-177.3	-174.3	-175.6	0	0	111.1	F51 K52 T53 Q54 K60	F51-E56 HydrophobicContact CB-CB 4.2Å; F51-E56 HydrophobicContact CB-CG 4.18Å; F51-E56 HydrophobicContact CD1-CG 4Å; F51-E56 HydrophobicContact CG-CG 4.49Å; K52-E56 PolarHBondContact N-OE2 2.79Å; T53-E56 PolarHBondContact O-N 2.75Å; T53-E56 WeakPolarHBondContact OG1-CB 3.41Å; T53-E56 PolarHBondContact OG1-N 3.2Å; T53-E56 VanDerWaalsContact OG1-N 3.09Å; Q54-E56 VanDerWaalsContact C-N 3.28Å; Q54-E56 PolarHBondContact O-N 2.88Å; E56-K60 HydrophobicContact CG-CD 4.03Å; E56-K60 WeakPolarHBondContact O-CB 3.25Å; E56-K60 WeakPolarHBondContact O-CG 3.43Å; E56-K60 PolarHBondContact O-N 2.82Å; E56-K60 VanDerWaalsContact O-N 3.15Å; E56-K60 IonicContact OE1-NZ 3.42Å; E56-K60 PolarHBondContact OE1-NZ 2.71Å
57	C	89.2	Confident	82.4	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.1	-51.6	176	178.9	0	0	0	0	111.4	C36 F51 T53 Q54 A59 K60 C61	C36-C57 HydrophobicContact CB-CB 3.67Å; C36-C57 WeakPolarHBondContact CB-SG 3.35Å; C36-C57 WeakPolarHBondContact SG-CB 3.24Å; C36-C57 CovalentContact SG-SG 2.02Å; C36-C57 PolarHBondContact SG-SG 2.85Å; F51-C57 HydrophobicContact CB-CB 3.8Å; F51-C57 VanDerWaalsContact CD2-CA 3.45Å; F51-C57 HydrophobicContact CD2-CB 3.22Å; F51-C57 WeakPolarHBondContact CD2-SG 3.35Å; F51-C57 HydrophobicContact CE2-CB 3.89Å; F51-C57 VanDerWaalsContact CE2-SG 3.6Å; F51-C57 VanDerWaalsContact CG-CA 3.46Å; F51-C57 HydrophobicContact CG-CB 3.59Å; T53-C57 PolarHBondContact O-N 3.35Å; Q54-C57 WeakPolarHBondContact O-CB 3.39Å; Q54-C57 PolarHBondContact O-N 3.16Å; Q54-C57 VanDerWaalsContact O-N 3.08Å; C57-A59 PolarHBondContact O-N 3.16Å; C57-K60 PolarHBondContact O-N 3.18Å; C57-C61 WeakPolarHBondContact O-CB 3.37Å; C57-C61 PolarHBondContact O-N 3.46Å
58	E	88	Confident	83.2	Confident	46 Å²	46	67.4 Å²	67.4	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-64	-43.2	-178.4	-64.2	173.8	161.2	0	0	111.3	C36 Q54 K60 L62 K63 L66	C36-E58 HydrophobicContact CB-CG 4.14Å; C36-E58 PolarHBondContact SG-N 2.9Å; C36-E58 VanDerWaalsContact SG-N 3.39Å; Q54-E58 HydrophobicContact CG-CG 4.16Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.46Å; Q54-E58 PolarHBondContact NE2-OE1 3.04Å; Q54-E58 VanDerWaalsContact O-CG 3.27Å; Q54-E58 WeakPolarHBondContact O-CG 3.28Å; Q54-E58 PolarHBondContact O-N 2.76Å; E58-K60 PolarHBondContact O-N 3.26Å; E58-L62 HydrophobicContact CB-CB 4.45Å; E58-L62 HydrophobicContact CB-CD1 4.32Å; E58-L62 HydrophobicContact CG-CD1 4.02Å; E58-L62 CarbonylContact O-C 3.2Å; E58-L62 VanDerWaalsContact O-CA 3.25Å; E58-L62 WeakPolarHBondContact O-CA 3.16Å; E58-L62 VanDerWaalsContact O-CB 3.3Å; E58-L62 WeakPolarHBondContact O-CB 3.32Å; E58-L62 PolarHBondContact O-N 2.74Å; E58-K63 PolarHBondContact O-N 2.85Å; E58-L66 HydrophobicContact CB-CD1 4.24Å
59	A	85.8	Confident	83.8	Confident	59 Å²	59	64.1 Å²	64.1	49%	0.488	32%	0.319	S	S	.	.	H	α-helix	trans	-65.2	-26.6	178.8	0	0	0	0	0	113.3	Q55 C57 K63	Q55-A59 WeakPolarHBondContact O-CB 3.48Å; Q55-A59 PolarHBondContact O-N 2.81Å; C57-A59 PolarHBondContact O-N 3.16Å; A59-K63 WeakPolarHBondContact O-CB 2.97Å
60	K	86.6	Confident	84.3	Confident	100 Å²	100	64.3 Å²	64.3	44%	0.435	32%	0.32	S	S	.	.	H	α-helix	trans	-90.9	-47.2	179.1	-75.1	172.9	166.8	178.9	0	112.3	V10 F51 E56 C57 E58	V10-K60 HydrophobicContact CG1-CB 4.46Å; V10-K60 HydrophobicContact CG2-CD 3.97Å; F51-K60 HydrophobicContact CD1-CD 3.73Å; F51-K60 HydrophobicContact CE1-CB 4.1Å; F51-K60 HydrophobicContact CE1-CD 3.43Å; F51-K60 VanDerWaalsContact CE1-CD 3.43Å; F51-K60 HydrophobicContact CE1-CG 4.42Å; F51-K60 HydrophobicContact CZ-CB 4.47Å; F51-K60 HydrophobicContact CZ-CD 4.5Å; E56-K60 HydrophobicContact CG-CD 4.03Å; E56-K60 WeakPolarHBondContact O-CB 3.25Å; E56-K60 WeakPolarHBondContact O-CG 3.43Å; E56-K60 PolarHBondContact O-N 2.82Å; E56-K60 VanDerWaalsContact O-N 3.15Å; E56-K60 IonicContact OE1-NZ 3.42Å; E56-K60 PolarHBondContact OE1-NZ 2.71Å; C57-K60 PolarHBondContact O-N 3.18Å; E58-K60 PolarHBondContact O-N 3.26Å
61	C	88.2	Confident	84.8	Confident	17 Å²	17	64.6 Å²	64.6	12%	0.115	32%	0.32	C	S	.	.	H	α-helix	trans	-99.7	-27.3	-171.2	-62.2	0	0	0	0	114.2	C12 Y29 F51 C57	C12-C61 HydrophobicContact CB-CB 3.73Å; C12-C61 WeakPolarHBondContact CB-SG 3.25Å; C12-C61 WeakPolarHBondContact SG-CA 3.41Å; C12-C61 WeakPolarHBondContact SG-CB 3.07Å; C12-C61 CovalentContact SG-SG 2.04Å; C12-C61 PolarHBondContact SG-SG 3.26Å; Y29-C61 VanDerWaalsContact CB-SG 3.58Å; Y29-C61 HydrophobicContact CD1-CB 3.67Å; Y29-C61 HydrophobicContact CD2-CB 3.78Å; Y29-C61 HydrophobicContact CE1-CB 4.16Å; Y29-C61 HydrophobicContact CE2-CB 4.33Å; Y29-C61 HydrophobicContact CG-CB 3.4Å; F51-C61 WeakPolarHBondContact CZ-SG 3.4Å; C57-C61 WeakPolarHBondContact O-CB 3.37Å; C57-C61 PolarHBondContact O-N 3.46Å
62	L	85	Confident	85.1	Confident	6 Å²	6	66 Å²	66	3%	0.031	33%	0.327	C	S	.	.	S	Bend	trans	-104.9	4.1	-179.6	-65.9	179.1	0	0	0	113.3	Y29 D34 E58 D64 K65 L66	Y29-L62 HydrophobicContact CD2-CD2 4.08Å; Y29-L62 HydrophobicContact CD2-CG 4.18Å; Y29-L62 HydrophobicContact CE2-CD2 3.33Å; Y29-L62 HydrophobicContact CE2-CG 3.93Å; D34-L62 HydrophobicContact CB-CD2 4.1Å; D34-L62 WeakPolarHBondContact O-CD1 2.98Å; D34-L62 WeakPolarHBondContact O-CD2 3.34Å; E58-L62 HydrophobicContact CB-CB 4.45Å; E58-L62 HydrophobicContact CB-CD1 4.32Å; E58-L62 HydrophobicContact CG-CD1 4.02Å; E58-L62 CarbonylContact O-C 3.2Å; E58-L62 VanDerWaalsContact O-CA 3.25Å; E58-L62 WeakPolarHBondContact O-CA 3.16Å; E58-L62 VanDerWaalsContact O-CB 3.3Å; E58-L62 WeakPolarHBondContact O-CB 3.32Å; E58-L62 PolarHBondContact O-N 2.74Å; L62-D64 PolarHBondContact O-N 2.81Å; L62-K65 HydrophobicContact CB-CB 4.27Å; L62-K65 HydrophobicContact CD2-CB 3.74Å; L62-K65 HydrophobicContact CD2-CG 3.93Å; L62-K65 CarbonylContact O-C 3.48Å; L62-K65 WeakPolarHBondContact O-CA 3.4Å; L62-K65 WeakPolarHBondContact O-CB 3.16Å; L62-K65 PolarHBondContact O-N 3.47Å; L62-L66 HydrophobicContact CB-CD1 4.23Å; L62-L66 HydrophobicContact CB-CD2 4.35Å; L62-L66 HydrophobicContact CB-CG 3.81Å; L62-L66 WeakPolarHBondContact O-CB 3.35Å; L62-L66 WeakPolarHBondContact O-CG 3.41Å; L62-L66 PolarHBondContact O-N 3.42Å
63	K	79.8	Confident	85.7	Confident	127 Å²	127	62.4 Å²	62.4	55%	0.552	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-41.3	-173.1	-171.7	177.1	178.5	-178.2	0	114.7	E58 A59 K67	E58-K63 PolarHBondContact O-N 2.85Å; A59-K63 WeakPolarHBondContact O-CB 2.97Å; K63-K67 WeakPolarHBondContact O-CG 3.27Å
64	D	77.1	Confident	86.1	Confident	119 Å²	119	64.6 Å²	64.6	64%	0.636	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-27.3	179.3	-63.4	-38.7	0	0	0	112.4	L62 K67 S68	L62-D64 PolarHBondContact O-N 2.81Å; D64-K67 PolarHBondContact O-N 3.22Å; D64-K67 IonicContact OD1-NZ 2.75Å; D64-K67 PolarHBondContact OD1-NZ 3.27Å; D64-S68 PolarHBondContact O-N 3.15Å
65	K	74.8	Confident	86.6	Confident	83 Å²	83	64.1 Å²	64.1	36%	0.361	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-38	172.9	-63.1	-71.2	-173.8	150	0	112.5	D34 L62 K67 S68 H71	D34-K65 VanDerWaalsContact OD1-CE 3.32Å; D34-K65 WeakPolarHBondContact OD1-CE 3.48Å; D34-K65 IonicContact OD1-NZ 2.74Å; D34-K65 PolarHBondContact OD1-NZ 2.73Å; D34-K65 WeakPolarHBondContact OD2-CD 3.39Å; D34-K65 WeakPolarHBondContact OD2-CE 3.34Å; D34-K65 IonicContact OD2-NZ 3.84Å; D34-K65 PolarHBondContact OD2-NZ 2.93Å; L62-K65 HydrophobicContact CB-CB 4.27Å; L62-K65 HydrophobicContact CD2-CB 3.74Å; L62-K65 HydrophobicContact CD2-CG 3.93Å; L62-K65 CarbonylContact O-C 3.48Å; L62-K65 WeakPolarHBondContact O-CA 3.4Å; L62-K65 WeakPolarHBondContact O-CB 3.16Å; L62-K65 PolarHBondContact O-N 3.47Å; K65-K67 PolarHBondContact O-N 2.88Å; K65-S68 WeakPolarHBondContact O-CA 3.11Å; K65-S68 WeakPolarHBondContact O-CB 3.4Å; K65-S68 PolarHBondContact O-N 3.39Å; K65-S68 PolarHBondContact O-OG 3.29Å; K65-H71 PolarHBondContact O-ND1 2.89Å; K65-H71 VanDerWaalsContact O-ND1 3.08Å
66	L	72.2	Confident	87.1	Confident	75 Å²	75	61.7 Å²	61.7	39%	0.393	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.7	174.1	-68.9	177	0	0	0	112.5	E58 L62 S68 H71	E58-L66 HydrophobicContact CB-CD1 4.24Å; L62-L66 HydrophobicContact CB-CD1 4.23Å; L62-L66 HydrophobicContact CB-CD2 4.35Å; L62-L66 HydrophobicContact CB-CG 3.81Å; L62-L66 WeakPolarHBondContact O-CB 3.35Å; L62-L66 WeakPolarHBondContact O-CG 3.41Å; L62-L66 PolarHBondContact O-N 3.42Å; L66-S68 VanDerWaalsContact C-N 3.31Å; L66-H71 HydrophobicContact CD2-CB 4.47Å
67	K	78.4	Confident	87.5	Confident	128 Å²	128	59.4 Å²	59.4	56%	0.557	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.7	170.8	-63.5	172.5	-169.9	161	0	112.5	K63 D64 K65	K63-K67 WeakPolarHBondContact O-CG 3.27Å; D64-K67 PolarHBondContact O-N 3.22Å; D64-K67 IonicContact OD1-NZ 2.75Å; D64-K67 PolarHBondContact OD1-NZ 3.27Å; K65-K67 PolarHBondContact O-N 2.88Å
68	S	86.7	Confident	87.9	Confident	27 Å²	27	67.1 Å²	67.1	19%	0.189	34%	0.342	C	S	.	.	S	Bend	trans	-60.6	143.5	175.2	75	0	0	0	0	109	D64 K65 L66 C70 H71	D64-S68 PolarHBondContact O-N 3.15Å; K65-S68 WeakPolarHBondContact O-CA 3.11Å; K65-S68 WeakPolarHBondContact O-CB 3.4Å; K65-S68 PolarHBondContact O-N 3.39Å; K65-S68 PolarHBondContact O-OG 3.29Å; L66-S68 VanDerWaalsContact C-N 3.31Å; S68-C70 PolarHBondContact O-N 3.42Å; S68-H71 PolarHBondContact O-N 2.02Å; S68-H71 VanDerWaalsContact O-N 3.13Å; S68-H71 PolarHBondContact OG-ND1 3.08Å
69	P	92.1	Very high	88.3	Confident	29 Å²	29	67.2 Å²	67.2	19%	0.188	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-47.6	-33.6	172.1	-32.7	38.8	0	0	0	113.4	H71 Q72 E107 N108 F110	P69-H71 VanDerWaalsContact C-N 3.28Å; P69-H71 PolarHBondContact O-N 3.19Å; P69-Q72 WeakPolarHBondContact O-CB 3.47Å; P69-Q72 PolarHBondContact O-N 3.26Å; P69-E107 HydrophobicContact CB-CB 3.9Å; P69-E107 WeakPolarHBondContact CB-O 3.41Å; P69-E107 HydrophobicContact CG-CB 3.72Å; P69-N108 WeakPolarHBondContact O-CB 3.49Å; P69-N108 VanDerWaalsContact O-CG 3.3Å; P69-F110 HydrophobicContact CB-CE1 4.32Å; P69-F110 HydrophobicContact CB-CZ 3.76Å
70	C	91.6	Very high	88.8	Confident	7 Å²	7	73.6 Å²	73.6	5%	0.047	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-68.8	-24.4	-173	-45.2	0	0	0	0	113.6	S68 Y88 Q90 R119 C120	S68-C70 PolarHBondContact O-N 3.42Å; C70-Y88 HydrophobicContact CB-CD1 4.01Å; C70-Y88 WeakPolarHBondContact O-CD1 2.96Å; C70-Q90 WeakPolarHBondContact O-CG 3.46Å; C70-R119 PolarHBondContact SG-O 2.76Å; C70-R119 VanDerWaalsContact SG-O 3.37Å; C70-C120 WeakPolarHBondContact CA-SG 3.44Å; C70-C120 HydrophobicContact CB-CB 3.53Å; C70-C120 WeakPolarHBondContact CB-SG 3.34Å; C70-C120 WeakPolarHBondContact SG-CA 3.48Å; C70-C120 WeakPolarHBondContact SG-CB 3.09Å; C70-C120 CovalentContact SG-SG 2.03Å; C70-C120 PolarHBondContact SG-SG 3.23Å
71	H	88.5	Confident	89.3	Confident	47 Å²	47	70.4 Å²	70.4	22%	0.218	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-94.4	-6.1	178.8	-70.9	76.8	0	0	0	113	K65 L66 S68 P69 Q90	K65-H71 PolarHBondContact O-ND1 2.89Å; K65-H71 VanDerWaalsContact O-ND1 3.08Å; L66-H71 HydrophobicContact CD2-CB 4.47Å; S68-H71 PolarHBondContact O-N 2.02Å; S68-H71 VanDerWaalsContact O-N 3.13Å; S68-H71 PolarHBondContact OG-ND1 3.08Å; P69-H71 VanDerWaalsContact C-N 3.28Å; P69-H71 PolarHBondContact O-N 3.19Å; H71-Q90 PolarHBondContact CD2-OE1 2.03Å; H71-Q90 PolarHBondContact O-NE2 3.23Å; H71-Q90 VanDerWaalsContact O-NE2 3.16Å
72	Q	91.8	Very high	89.7	Confident	32 Å²	32	74.6 Å²	74.6	15%	0.15	40%	0.398	C	S	.	.	S	Bend	trans	-79.6	147.1	179.4	-60.9	178.8	-2.7	0	0	111	P69 N106 E107 N108	P69-Q72 WeakPolarHBondContact O-CB 3.47Å; P69-Q72 PolarHBondContact O-N 3.26Å; Q72-N106 VanDerWaalsContact OE1-CG 3.25Å; Q72-N106 PolarHBondContact OE1-OD1 2.74Å; Q72-E107 VanDerWaalsContact CD-OE2 3.28Å; Q72-E107 PolarHBondContact NE2-OE2 3.34Å; Q72-E107 PolarHBondContact OE1-OE2 3.25Å; Q72-N108 HydrophobicContact CB-CB 4.21Å; Q72-N108 PolarHBondContact O-ND2 3.36Å
73	P	93.4	Very high	90.3	Very high	95 Å²	95	77.5 Å²	77.5	62%	0.617	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-65	160.7	179.6	28.5	-35.9	0	0	0	111.6	D75 N106	P73-D75 PolarHBondContact O-N 2.76Å; P73-N106 PolarHBondContact O-ND2 3.16Å
74	L	96.3	Very high	91.2	Very high	104 Å²	104	76.8 Å²	76.8	55%	0.545	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-64.7	121.4	169.5	-177.8	69.2	0	0	0	110	L76 A87 F98	L74-L76 HydrophobicContact CD2-CD2 4.36Å; L74-L76 HydrophobicContact CG-CD2 4.45Å; L74-A87 HydrophobicContact CD1-CB 3.52Å; L74-F98 HydrophobicContact CD1-CB 4.01Å; L74-F98 HydrophobicContact CD1-CD1 3.73Å; L74-F98 HydrophobicContact CD1-CD2 3.81Å; L74-F98 HydrophobicContact CD1-CE1 4.07Å; L74-F98 HydrophobicContact CD1-CE2 4.12Å; L74-F98 HydrophobicContact CD1-CG 3.59Å; L74-F98 HydrophobicContact CD1-CZ 4.24Å; L74-F98 HydrophobicContact CD2-CB 4.48Å
75	D	97.4	Very high	92.2	Very high	63 Å²	63	73.6 Å²	73.6	34%	0.337	39%	0.393	S	S	.	.			trans	-121	115.4	175.9	-166.9	-19.2	0	0	0	110.9	P73 G77 F98 G105	P73-D75 PolarHBondContact O-N 2.76Å; D75-G77 PolarHBondContact O-N 2.94Å; D75-G77 WeakPolarHBondContact OD1-CA 3.42Å; D75-G77 PolarHBondContact OD1-N 3.18Å; D75-F98 WeakPolarHBondContact O-CE2 3.3Å; D75-G105 VanDerWaalsContact CG-CA 3.49Å; D75-G105 WeakPolarHBondContact OD2-CA 3.34Å
76	L	97.8	Very high	93.3	Very high	72 Å²	72	72.9 Å²	72.9	38%	0.377	39%	0.389	S	S	.	.			trans	-70.4	-14.3	179	-54.6	-176.2	0	0	0	112.3	L74 F98 Y100 R101	L74-L76 HydrophobicContact CD2-CD2 4.36Å; L74-L76 HydrophobicContact CG-CD2 4.45Å; L76-F98 HydrophobicContact CD2-CD2 3.77Å; L76-F98 HydrophobicContact CD2-CE2 4.41Å; L76-Y100 WeakPolarHBondContact O-CD2 3.43Å; L76-R101 HydrophobicContact CB-CG 4.43Å; L76-R101 VanDerWaalsContact O-CB 3.3Å; L76-R101 WeakPolarHBondContact O-CB 2.95Å; L76-R101 WeakPolarHBondContact O-CG 3.19Å; L76-R101 PolarHBondContact O-N 2.68Å
77	G	97.4	Very high	94.6	Very high	12 Å²	12	69.6 Å²	69.6	12%	0.124	37%	0.372	C	S	.	.			trans	71.1	-155.4	-173.1	0	0	0	0	0	112.8	D75 R101 D103	D75-G77 PolarHBondContact O-N 2.94Å; D75-G77 WeakPolarHBondContact OD1-CA 3.42Å; D75-G77 PolarHBondContact OD1-N 3.18Å; G77-R101 WeakPolarHBondContact O-CD 3.15Å; G77-D103 CarbonylContact C-O 3.59Å; G77-D103 WeakPolarHBondContact CA-O 3.47Å
78	R	97.4	Very high	95.4	Very high	161 Å²	161	65 Å²	65	61%	0.608	35%	0.352	S	S	*	.	B	Isolated β-bridge	trans	-126.5	164.5	-177.8	-59.3	176.2	-61.3	-164.2	1.3	110.2	R101 D103	R78-R101 VanDerWaalsContact C-CB 3.43Å; R78-R101 CarbonylContact O-C 3.54Å; R78-R101 WeakPolarHBondContact O-CB 3Å; R78-D103 IonicContact CZ-OD2 3.58Å; R78-D103 PolarHBondContact N-O 3.36Å; R78-D103 IonicContact NE-OD2 3.43Å; R78-D103 PolarHBondContact NE-OD2 2.02Å; R78-D103 IonicContact NH2-OD2 3.34Å; R78-D103 PolarHBondContact NH2-OD2 2.88Å; R78-D103 PolarHBondContact O-N 3.14Å; R78-D103 VanDerWaalsContact O-N 3.12Å
79	G	96.5	Very high	95.8	Very high	49 Å²	49	65.1 Å²	65.1	51%	0.505	35%	0.353	S	S	.	.	S	Bend	trans	101.8	-163.7	-176	0	0	0	0	0	113
80	M	96.4	Very high	95.5	Very high	193 Å²	193	68.6 Å²	68.6	95%	0.951	37%	0.366	S	S	*	.	S	Bend	trans	-128.6	14.7	-177.4	-60.5	-177.8	-178.9	0	0	112.3
81	G	96.1	Very high	95.4	Very high	32 Å²	32	76.8 Å²	76.8	33%	0.33	40%	0.404	S	S	.	.			trans	-68.8	152.2	177.2	0	0	0	0	0	112.1	R101	G81-R101 WeakPolarHBondContact CA-O 3.05Å; G81-R101 PolarHBondContact N-O 3.41Å; G81-R101 WeakPolarHBondContact O-CA 3.42Å
82	V	97.3	Very high	95.5	Very high	106 Å²	106	78.4 Å²	78.4	64%	0.642	41%	0.414	S	S	*	.			trans	-118.8	78.8	170.6	-177.9	0	0	0	0	107	Q99	V82-Q99 HydrophobicContact CG1-CG 4.27Å
83	I	97.9	Very high	95.4	Very high	66 Å²	66	80.2 Å²	80.2	34%	0.338	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.1	-178.3	-54.6	173.2	0	0	0	108	R85 Y100	I83-R85 HydrophobicContact CG2-CG 4.25Å; I83-R85 PolarHBondContact O-N 3.2Å; I83-Y100 HydrophobicContact CD1-CD1 4.5Å; I83-Y100 PolarHBondContact N-O 3.37Å; I83-Y100 VanDerWaalsContact N-O 3.1Å; I83-Y100 PolarHBondContact O-N 2.98Å
84	L	98.1	Very high	95.4	Very high	112 Å²	112	79.1 Å²	79.1	59%	0.586	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	124.1	175.7	-67.3	177.1	0	0	0	110.1	F97 Q99	L84-F97 HydrophobicContact CD2-CD2 4.11Å; L84-Q99 HydrophobicContact CD2-CG 4.23Å
85	R	98.5	Very high	95.4	Very high	53 Å²	53	74.3 Å²	74.3	20%	0.2	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	167.9	176.9	-65.3	-67.9	178.6	73.5	1.2	109.3	I83 F97 F98 Y100 N109 F110 N111	I83-R85 HydrophobicContact CG2-CG 4.25Å; I83-R85 PolarHBondContact O-N 3.2Å; R85-F97 CarbonylContact O-C 3.35Å; R85-F97 WeakPolarHBondContact O-CA 3.16Å; R85-F98 HydrophobicContact CB-CD1 4.11Å; R85-F98 HydrophobicContact CB-CE1 3.57Å; R85-F98 HydrophobicContact CB-CZ 3.91Å; R85-F98 PolarHBondContact N-O 3.21Å; R85-F98 PolarHBondContact O-N 2.71Å; R85-Y100 HydrophobicContact CG-CD1 4.34Å; R85-Y100 HydrophobicContact CG-CG 4.31Å; R85-N109 WeakPolarHBondContact CB-OD1 3.34Å; R85-N109 VanDerWaalsContact CD-OD1 3.24Å; R85-N109 WeakPolarHBondContact CD-OD1 3.48Å; R85-N109 WeakPolarHBondContact CG-OD1 3.4Å; R85-N109 PolarHBondContact NH1-OD1 2.68Å; R85-F110 CarbonylContact C-O 3.47Å; R85-F110 WeakPolarHBondContact CA-O 3.45Å; R85-N111 PolarHBondContact NE-OD1 2.75Å
86	Y	98.5	Very high	95.4	Very high	67 Å²	67	77.6 Å²	77.6	26%	0.263	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	143	173.5	-70	-96.8	0	0	0	110.2	R96 F97 N109 F110 T112 K113	Y86-R96 CarbonylContact C-O 3.54Å; Y86-R96 VanDerWaalsContact CA-O 3.3Å; Y86-R96 WeakPolarHBondContact CA-O 3.43Å; Y86-F97 HydrophobicContact CD1-CB 4.24Å; Y86-F97 HydrophobicContact CE1-CB 4.04Å; Y86-N109 CarbonylContact O-C 3.54Å; Y86-N109 WeakPolarHBondContact O-CA 3.34Å; Y86-F110 PolarHBondContact N-O 3.49Å; Y86-F110 WeakPolarHBondContact O-CD2 3.24Å; Y86-F110 PolarHBondContact O-N 2.91Å; Y86-T112 VanDerWaalsContact CD2-C 3.41Å; Y86-K113 HydrophobicContact CD1-CB 3.76Å; Y86-K113 HydrophobicContact CD1-CG 3.85Å; Y86-K113 VanDerWaalsContact CD2-N 3.31Å; Y86-K113 HydrophobicContact CE1-CB 3.48Å; Y86-K113 VanDerWaalsContact CE1-CB 3.48Å; Y86-K113 HydrophobicContact CE1-CD 4.31Å; Y86-K113 HydrophobicContact CE1-CG 3.71Å; Y86-K113 HydrophobicContact CE2-CB 4.35Å; Y86-K113 HydrophobicContact CG-CB 4.3Å
87	A	97.8	Very high	95.4	Very high	6 Å²	6	80.9 Å²	80.9	5%	0.05	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.8	171	0	0	0	0	0	108.4	L74 C95 R96 F98 N108	L74-A87 HydrophobicContact CD1-CB 3.52Å; A87-C95 WeakPolarHBondContact O-CA 3.44Å; A87-R96 PolarHBondContact N-O 3.18Å; A87-R96 PolarHBondContact O-N 3.29Å; A87-F98 HydrophobicContact CB-CD1 3.74Å; A87-F98 HydrophobicContact CB-CE1 3.69Å; A87-N108 VanDerWaalsContact CA-OD1 3.3Å; A87-N108 WeakPolarHBondContact CA-OD1 3.09Å; A87-N108 VanDerWaalsContact CB-O 3.29Å; A87-N108 WeakPolarHBondContact CB-O 3.36Å
88	Y	96.4	Very high	95.4	Very high	31 Å²	31	81 Å²	81	12%	0.122	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128.2	172.9	-177.6	-106.4	0	0	0	110.1	C70 Q90 D93 N108 C116 C120 V121	C70-Y88 HydrophobicContact CB-CD1 4.01Å; C70-Y88 WeakPolarHBondContact O-CD1 2.96Å; Y88-Q90 HydrophobicContact CD1-CG 4.09Å; Y88-Q90 HydrophobicContact CE1-CB 4.47Å; Y88-Q90 HydrophobicContact CE1-CG 3.89Å; Y88-D93 PolarHBondContact OH-OD1 2.85Å; Y88-N108 PolarHBondContact N-OD1 3.23Å; Y88-N108 PolarHBondContact O-ND2 3.47Å; Y88-C116 PolarHBondContact N-SG 2.77Å; Y88-C120 HydrophobicContact CD1-CB 3.98Å; Y88-C120 HydrophobicContact CD2-CB 3.51Å; Y88-C120 HydrophobicContact CE2-CB 4.13Å; Y88-C120 HydrophobicContact CG-CB 3.41Å; Y88-C120 VanDerWaalsContact CG-CB 3.41Å; Y88-V121 HydrophobicContact CD2-CG2 4.24Å; Y88-V121 HydrophobicContact CE2-CG2 3.89Å
89	S	93.9	Very high	95.5	Very high	30 Å²	30	79 Å²	79	21%	0.21	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	110.4	172.4	-179.1	0	0	0	0	109.2	E91 L92 D93 E94	S89-E91 VanDerWaalsContact C-N 3.26Å; S89-E91 PolarHBondContact O-N 3.4Å; S89-L92 PolarHBondContact O-N 3.37Å; S89-L92 PolarHBondContact OG-N 2.91Å; S89-D93 PolarHBondContact O-N 2.57Å; S89-E94 PolarHBondContact N-O 2.91Å; S89-E94 PolarHBondContact O-N 3.08Å
90	Q	87.4	Confident	95.6	Very high	102 Å²	102	77.7 Å²	77.7	48%	0.477	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-35.9	174.9	-69.5	174.1	81.7	0	0	111.9	C70 H71 Y88 L92	C70-Q90 WeakPolarHBondContact O-CG 3.46Å; H71-Q90 PolarHBondContact CD2-OE1 2.03Å; H71-Q90 PolarHBondContact O-NE2 3.23Å; H71-Q90 VanDerWaalsContact O-NE2 3.16Å; Y88-Q90 HydrophobicContact CD1-CG 4.09Å; Y88-Q90 HydrophobicContact CE1-CB 4.47Å; Y88-Q90 HydrophobicContact CE1-CG 3.89Å; Q90-L92 VanDerWaalsContact C-N 3.27Å; Q90-L92 PolarHBondContact O-N 3.15Å
91	E	88.2	Confident	95.7	Very high	179 Å²	179	74.3 Å²	74.3	84%	0.836	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-34.5	179.7	-178.1	-178.6	174.9	0	0	112.5	S89	S89-E91 VanDerWaalsContact C-N 3.26Å; S89-E91 PolarHBondContact O-N 3.4Å
92	L	91.4	Very high	95.7	Very high	82 Å²	82	74.7 Å²	74.7	43%	0.429	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-3.1	-173.2	-61.5	171.7	0	0	0	113	S89 Q90 E94 R96	S89-L92 PolarHBondContact O-N 3.37Å; S89-L92 PolarHBondContact OG-N 2.91Å; Q90-L92 VanDerWaalsContact C-N 3.27Å; Q90-L92 PolarHBondContact O-N 3.15Å; L92-E94 HydrophobicContact CB-CG 3.76Å; L92-E94 PolarHBondContact O-N 3.09Å; L92-R96 VanDerWaalsContact CD1-NH1 3.28Å
93	D	89	Confident	95.7	Very high	69 Å²	69	73.8 Å²	73.8	37%	0.369	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	40.2	-175.4	-164.7	12.8	0	0	0	111.9	Y88 S89 R124	Y88-D93 PolarHBondContact OH-OD1 2.85Å; S89-D93 PolarHBondContact O-N 2.57Å; D93-R124 IonicContact OD2-NH1 3.66Å
94	E	93.9	Very high	95.7	Very high	72 Å²	72	72.2 Å²	72.2	34%	0.336	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154.2	-175.6	74.5	177	177.1	0	0	114	S89 L92 R96	S89-E94 PolarHBondContact N-O 2.91Å; S89-E94 PolarHBondContact O-N 3.08Å; L92-E94 HydrophobicContact CB-CG 3.76Å; L92-E94 PolarHBondContact O-N 3.09Å; E94-R96 HydrophobicContact CG-CG 3.73Å; E94-R96 WeakPolarHBondContact OE1-CD 3.39Å; E94-R96 WeakPolarHBondContact OE1-CG 2.96Å; E94-R96 IonicContact OE1-CZ 2.73Å; E94-R96 IonicContact OE1-NE 3.5Å; E94-R96 PolarHBondContact OE1-NE 3.43Å; E94-R96 IonicContact OE1-NH1 3.87Å; E94-R96 PolarHBondContact OE1-NH1 2.84Å
95	C	97.1	Very high	95.6	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.02	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115	171.6	-72.2	0	0	0	0	111.5	A87 K113 C116 E117	A87-C95 WeakPolarHBondContact O-CA 3.44Å; C95-K113 HydrophobicContact CB-CG 4.19Å; C95-C116 HydrophobicContact CB-CB 3.63Å; C95-C116 WeakPolarHBondContact CB-SG 3.45Å; C95-C116 WeakPolarHBondContact SG-CB 3.37Å; C95-C116 CovalentContact SG-SG 2.02Å; C95-C116 PolarHBondContact SG-SG 2.99Å; C95-E117 HydrophobicContact CB-CG 3.97Å; C95-E117 PolarHBondContact SG-N 2.92Å
96	R	97.6	Very high	95.5	Very high	133 Å²	133	67.5 Å²	67.5	50%	0.502	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	151.5	178.3	-58	-169.5	78.2	129.6	-9.1	111.3	Y86 A87 L92 E94	Y86-R96 CarbonylContact C-O 3.54Å; Y86-R96 VanDerWaalsContact CA-O 3.3Å; Y86-R96 WeakPolarHBondContact CA-O 3.43Å; A87-R96 PolarHBondContact N-O 3.18Å; A87-R96 PolarHBondContact O-N 3.29Å; L92-R96 VanDerWaalsContact CD1-NH1 3.28Å; E94-R96 HydrophobicContact CG-CG 3.73Å; E94-R96 WeakPolarHBondContact OE1-CD 3.39Å; E94-R96 WeakPolarHBondContact OE1-CG 2.96Å; E94-R96 IonicContact OE1-CZ 2.73Å; E94-R96 IonicContact OE1-NE 3.5Å; E94-R96 PolarHBondContact OE1-NE 3.43Å; E94-R96 IonicContact OE1-NH1 3.87Å; E94-R96 PolarHBondContact OE1-NH1 2.84Å
97	F	97.4	Very high	95.4	Very high	141 Å²	141	70 Å²	70	62%	0.618	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	151	173.4	70.3	-91.5	0	0	0	111.3	L84 R85 Y86	L84-F97 HydrophobicContact CD2-CD2 4.11Å; R85-F97 CarbonylContact O-C 3.35Å; R85-F97 WeakPolarHBondContact O-CA 3.16Å; Y86-F97 HydrophobicContact CD1-CB 4.24Å; Y86-F97 HydrophobicContact CE1-CB 4.04Å
98	F	98	Very high	95.3	Very high	15 Å²	15	69.8 Å²	69.8	7%	0.066	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	167.4	172.6	76.1	-79.6	0	0	0	110.9	L74 D75 L76 R85 A87 Y100 N109	L74-F98 HydrophobicContact CD1-CB 4.01Å; L74-F98 HydrophobicContact CD1-CD1 3.73Å; L74-F98 HydrophobicContact CD1-CD2 3.81Å; L74-F98 HydrophobicContact CD1-CE1 4.07Å; L74-F98 HydrophobicContact CD1-CE2 4.12Å; L74-F98 HydrophobicContact CD1-CG 3.59Å; L74-F98 HydrophobicContact CD1-CZ 4.24Å; L74-F98 HydrophobicContact CD2-CB 4.48Å; D75-F98 WeakPolarHBondContact O-CE2 3.3Å; L76-F98 HydrophobicContact CD2-CD2 3.77Å; L76-F98 HydrophobicContact CD2-CE2 4.41Å; R85-F98 HydrophobicContact CB-CD1 4.11Å; R85-F98 HydrophobicContact CB-CE1 3.57Å; R85-F98 HydrophobicContact CB-CZ 3.91Å; R85-F98 PolarHBondContact N-O 3.21Å; R85-F98 PolarHBondContact O-N 2.71Å; A87-F98 HydrophobicContact CB-CD1 3.74Å; A87-F98 HydrophobicContact CB-CE1 3.69Å; F98-Y100 HydrophobicContact CE2-CD2 4.32Å; F98-N109 HydrophobicContact CZ-CB 4.22Å
99	Q	98.2	Very high	95.4	Very high	117 Å²	117	69.7 Å²	69.7	55%	0.547	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	105	175.9	-65.7	-178.4	30.9	0	0	110.4	V82 L84	V82-Q99 HydrophobicContact CG1-CG 4.27Å; L84-Q99 HydrophobicContact CD2-CG 4.23Å
100	Y	98.5	Very high	95.6	Very high	23 Å²	23	68.3 Å²	68.3	9%	0.09	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	133.9	173.2	176.4	-118.5	0	0	0	110.8	L76 I83 R85 F98 G102 D103 G104 N109	L76-Y100 WeakPolarHBondContact O-CD2 3.43Å; I83-Y100 HydrophobicContact CD1-CD1 4.5Å; I83-Y100 PolarHBondContact N-O 3.37Å; I83-Y100 VanDerWaalsContact N-O 3.1Å; I83-Y100 PolarHBondContact O-N 2.98Å; R85-Y100 HydrophobicContact CG-CD1 4.34Å; R85-Y100 HydrophobicContact CG-CG 4.31Å; F98-Y100 HydrophobicContact CE2-CD2 4.32Å; Y100-G102 VanDerWaalsContact C-N 3.32Å; Y100-G102 PolarHBondContact O-N 3.22Å; Y100-D103 WeakPolarHBondContact OH-CA 3.38Å; Y100-D103 PolarHBondContact OH-N 3.39Å; Y100-G104 WeakPolarHBondContact CE2-O 3.45Å; Y100-G104 PolarHBondContact OH-N 3.5Å; Y100-G104 PolarHBondContact OH-O 3.4Å; Y100-N109 WeakPolarHBondContact CD2-ND2 3.3Å; Y100-N109 WeakPolarHBondContact CE2-ND2 3.46Å
101	R	98.4	Very high	96.1	Very high	122 Å²	122	68.5 Å²	68.5	46%	0.46	35%	0.347	S	S	.	.			trans	-79.9	-10.1	-172.6	-66.5	-179.2	179.4	-163.1	1.3	114.8	L76 G77 R78 G81	L76-R101 HydrophobicContact CB-CG 4.43Å; L76-R101 VanDerWaalsContact O-CB 3.3Å; L76-R101 WeakPolarHBondContact O-CB 2.95Å; L76-R101 WeakPolarHBondContact O-CG 3.19Å; L76-R101 PolarHBondContact O-N 2.68Å; G77-R101 WeakPolarHBondContact O-CD 3.15Å; R78-R101 VanDerWaalsContact C-CB 3.43Å; R78-R101 CarbonylContact O-C 3.54Å; R78-R101 WeakPolarHBondContact O-CB 3Å; G81-R101 WeakPolarHBondContact CA-O 3.05Å; G81-R101 PolarHBondContact N-O 3.41Å; G81-R101 WeakPolarHBondContact O-CA 3.42Å
102	G	96.9	Very high	96.5	Very high	39 Å²	39	63.3 Å²	63.3	40%	0.402	33%	0.328	S	S	.	.	S	Bend	trans	107.1	-14.4	169.3	0	0	0	0	0	116.1	Y100	Y100-G102 VanDerWaalsContact C-N 3.32Å; Y100-G102 PolarHBondContact O-N 3.22Å
103	D	97.9	Very high	96.8	Very high	87 Å²	87	63.7 Å²	63.7	47%	0.465	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-136.6	152.4	174.8	-179.8	52.4	0	0	0	112.6	G77 R78 Y100	G77-D103 CarbonylContact C-O 3.59Å; G77-D103 WeakPolarHBondContact CA-O 3.47Å; R78-D103 IonicContact CZ-OD2 3.58Å; R78-D103 PolarHBondContact N-O 3.36Å; R78-D103 IonicContact NE-OD2 3.43Å; R78-D103 PolarHBondContact NE-OD2 2.02Å; R78-D103 IonicContact NH2-OD2 3.34Å; R78-D103 PolarHBondContact NH2-OD2 2.88Å; R78-D103 PolarHBondContact O-N 3.14Å; R78-D103 VanDerWaalsContact O-N 3.12Å; Y100-D103 WeakPolarHBondContact OH-CA 3.38Å; Y100-D103 PolarHBondContact OH-N 3.39Å
104	G	96.9	Very high	97.1	Very high	33 Å²	33	70.3 Å²	70.3	34%	0.34	35%	0.346	S	S	.	.			trans	63.8	-144.3	-179.3	0	0	0	0	0	112.8	Y100	Y100-G104 WeakPolarHBondContact CE2-O 3.45Å; Y100-G104 PolarHBondContact OH-N 3.5Å; Y100-G104 PolarHBondContact OH-O 3.4Å
105	G	95.5	Very high	97.2	Very high	33 Å²	33	69.3 Å²	69.3	34%	0.34	34%	0.341	S	S	.	.			trans	88.5	-163.4	-173.8	0	0	0	0	0	112.5	D75	D75-G105 VanDerWaalsContact CG-CA 3.49Å; D75-G105 WeakPolarHBondContact OD2-CA 3.34Å
106	N	96.4	Very high	97.2	Very high	34 Å²	34	69.2 Å²	69.2	18%	0.182	34%	0.34	C	S	.	.			trans	-131.5	-177.4	176.2	69.8	26.1	0	0	0	111	Q72 P73 N108 N109	Q72-N106 VanDerWaalsContact OE1-CG 3.25Å; Q72-N106 PolarHBondContact OE1-OD1 2.74Å; P73-N106 PolarHBondContact O-ND2 3.16Å; N106-N108 VanDerWaalsContact C-N 3.26Å; N106-N108 PolarHBondContact O-N 3.31Å; N106-N108 WeakPolarHBondContact OD1-CB 3.3Å; N106-N108 PolarHBondContact OD1-N 3.42Å; N106-N109 WeakPolarHBondContact O-CB 3.46Å
107	E	96.1	Very high	97.1	Very high	119 Å²	119	66 Å²	66	56%	0.556	33%	0.331	S	S	*	.	S	Bend	trans	-73.9	-11.5	-174.1	-64	87.6	164.6	0	0	114.3	P69 Q72 N109	P69-E107 HydrophobicContact CB-CB 3.9Å; P69-E107 WeakPolarHBondContact CB-O 3.41Å; P69-E107 HydrophobicContact CG-CB 3.72Å; Q72-E107 VanDerWaalsContact CD-OE2 3.28Å; Q72-E107 PolarHBondContact NE2-OE2 3.34Å; Q72-E107 PolarHBondContact OE1-OE2 3.25Å; E107-N109 PolarHBondContact O-N 2.84Å
108	N	97	Very high	96.8	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.011	34%	0.336	C	S	.	.			trans	-72.8	56.4	171.6	-159.1	-2.4	0	0	0	111.5	P69 Q72 A87 Y88 N106	P69-N108 WeakPolarHBondContact O-CB 3.49Å; P69-N108 VanDerWaalsContact O-CG 3.3Å; Q72-N108 HydrophobicContact CB-CB 4.21Å; Q72-N108 PolarHBondContact O-ND2 3.36Å; A87-N108 VanDerWaalsContact CA-OD1 3.3Å; A87-N108 WeakPolarHBondContact CA-OD1 3.09Å; A87-N108 VanDerWaalsContact CB-O 3.29Å; A87-N108 WeakPolarHBondContact CB-O 3.36Å; Y88-N108 PolarHBondContact N-OD1 3.23Å; Y88-N108 PolarHBondContact O-ND2 3.47Å; N106-N108 VanDerWaalsContact C-N 3.26Å; N106-N108 PolarHBondContact O-N 3.31Å; N106-N108 WeakPolarHBondContact OD1-CB 3.3Å; N106-N108 PolarHBondContact OD1-N 3.42Å
109	N	98.2	Very high	96.4	Very high	29 Å²	29	69.7 Å²	69.7	16%	0.155	36%	0.359	C	S	.	.			trans	-152.8	97.1	-169.9	-173.8	-29.2	0	0	0	109	R85 Y86 F98 Y100 N106 E107	R85-N109 WeakPolarHBondContact CB-OD1 3.34Å; R85-N109 VanDerWaalsContact CD-OD1 3.24Å; R85-N109 WeakPolarHBondContact CD-OD1 3.48Å; R85-N109 WeakPolarHBondContact CG-OD1 3.4Å; R85-N109 PolarHBondContact NH1-OD1 2.68Å; Y86-N109 CarbonylContact O-C 3.54Å; Y86-N109 WeakPolarHBondContact O-CA 3.34Å; F98-N109 HydrophobicContact CZ-CB 4.22Å; Y100-N109 WeakPolarHBondContact CD2-ND2 3.3Å; Y100-N109 WeakPolarHBondContact CE2-ND2 3.46Å; N106-N109 WeakPolarHBondContact O-CB 3.46Å; E107-N109 PolarHBondContact O-N 2.84Å
110	F	98.2	Very high	96	Very high	1 Å²	1	64.5 Å²	64.5	0%	0.004	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-111.9	148.8	-174.2	-52.3	-73.2	0	0	0	111	P69 R85 Y86 T112 E115 C116 R119	P69-F110 HydrophobicContact CB-CE1 4.32Å; P69-F110 HydrophobicContact CB-CZ 3.76Å; R85-F110 CarbonylContact C-O 3.47Å; R85-F110 WeakPolarHBondContact CA-O 3.45Å; Y86-F110 PolarHBondContact N-O 3.49Å; Y86-F110 WeakPolarHBondContact O-CD2 3.24Å; Y86-F110 PolarHBondContact O-N 2.91Å; F110-T112 VanDerWaalsContact C-N 3.35Å; F110-E115 HydrophobicContact CB-CB 4.28Å; F110-E115 HydrophobicContact CB-CG 4.2Å; F110-E115 HydrophobicContact CD1-CG 3.83Å; F110-E115 HydrophobicContact CG-CG 4.37Å; F110-C116 HydrophobicContact CB-CB 3.91Å; F110-C116 HydrophobicContact CD2-CB 3.29Å; F110-C116 VanDerWaalsContact CD2-SG 3.51Å; F110-C116 HydrophobicContact CE2-CB 3.94Å; F110-C116 HydrophobicContact CG-CB 3.7Å; F110-R119 HydrophobicContact CE1-CB 4.46Å
111	N	97.4	Very high	95.5	Very high	105 Å²	105	65.7 Å²	65.7	56%	0.561	35%	0.345	S	S	*	.	S	Bend	trans	-76.5	-26.9	-179.8	-70.4	-53.8	0	0	0	112.2	R85 E115	R85-N111 PolarHBondContact NE-OD1 2.75Å; N111-E115 PolarHBondContact N-OE2 3.3Å
112	T	97.6	Very high	94.2	Very high	70 Å²	70	64.2 Å²	64.2	43%	0.429	35%	0.346	S	S	.	.	S	Bend	trans	-136.6	152.9	-177	68.9	0	0	0	0	111.5	Y86 F110 R114 E115 C116	Y86-T112 VanDerWaalsContact CD2-C 3.41Å; F110-T112 VanDerWaalsContact C-N 3.35Å; T112-R114 VanDerWaalsContact C-N 3.26Å; T112-R114 PolarHBondContact O-N 2.84Å; T112-E115 PolarHBondContact O-N 3.25Å; T112-E115 WeakPolarHBondContact OG1-CB 3.33Å; T112-E115 PolarHBondContact OG1-N 3.05Å; T112-E115 VanDerWaalsContact OG1-N 3.14Å; T112-C116 PolarHBondContact O-N 3.13Å
113	K	97.2	Very high	92.4	Very high	91 Å²	91	66.7 Å²	66.7	40%	0.396	35%	0.353	S	S	.	.	H	α-helix	trans	-55.4	-44	173.7	-158.9	-172.7	-170.2	-127.9	0	111.4	Y86 C95 E115 C116 E117	Y86-K113 HydrophobicContact CD1-CB 3.76Å; Y86-K113 HydrophobicContact CD1-CG 3.85Å; Y86-K113 VanDerWaalsContact CD2-N 3.31Å; Y86-K113 HydrophobicContact CE1-CB 3.48Å; Y86-K113 VanDerWaalsContact CE1-CB 3.48Å; Y86-K113 HydrophobicContact CE1-CD 4.31Å; Y86-K113 HydrophobicContact CE1-CG 3.71Å; Y86-K113 HydrophobicContact CE2-CB 4.35Å; Y86-K113 HydrophobicContact CG-CB 4.3Å; C95-K113 HydrophobicContact CB-CG 4.19Å; K113-E115 VanDerWaalsContact C-N 3.34Å; K113-E115 PolarHBondContact O-N 3.01Å; K113-C116 WeakPolarHBondContact O-CB 3.11Å; K113-C116 PolarHBondContact O-N 2.78Å; K113-E117 WeakPolarHBondContact CD-OE1 3.39Å; K113-E117 WeakPolarHBondContact CE-OE1 3.38Å; K113-E117 HydrophobicContact CG-CG 4.29Å; K113-E117 IonicContact NZ-OE1 2.68Å; K113-E117 PolarHBondContact NZ-OE1 2.88Å; K113-E117 WeakPolarHBondContact O-CG 3.22Å; K113-E117 PolarHBondContact O-N 2.86Å
114	R	95.8	Very high	90.3	Very high	207 Å²	207	70.7 Å²	70.7	78%	0.781	36%	0.361	S	S	*	.	H	α-helix	trans	-59.2	-41.7	179.4	-178.2	-179	177.5	-174.8	0.2	112.5	T112 A118	T112-R114 VanDerWaalsContact C-N 3.26Å; T112-R114 PolarHBondContact O-N 2.84Å; R114-A118 WeakPolarHBondContact O-CB 3.35Å; R114-A118 PolarHBondContact O-N 2.78Å
115	E	95.9	Very high	87.6	Confident	52 Å²	52	71.4 Å²	71.4	24%	0.243	36%	0.361	C	S	.	.	H	α-helix	trans	-63.8	-45.2	177	179.7	-177.5	-164	0	0	111.1	F110 N111 T112 K113 R119	F110-E115 HydrophobicContact CB-CB 4.28Å; F110-E115 HydrophobicContact CB-CG 4.2Å; F110-E115 HydrophobicContact CD1-CG 3.83Å; F110-E115 HydrophobicContact CG-CG 4.37Å; N111-E115 PolarHBondContact N-OE2 3.3Å; T112-E115 PolarHBondContact O-N 3.25Å; T112-E115 WeakPolarHBondContact OG1-CB 3.33Å; T112-E115 PolarHBondContact OG1-N 3.05Å; T112-E115 VanDerWaalsContact OG1-N 3.14Å; K113-E115 VanDerWaalsContact C-N 3.34Å; K113-E115 PolarHBondContact O-N 3.01Å; E115-R119 WeakPolarHBondContact O-CG 3.29Å; E115-R119 PolarHBondContact O-N 3.19Å; E115-R119 IonicContact OE1-CZ 3.18Å; E115-R119 IonicContact OE1-NE 2.92Å; E115-R119 IonicContact OE1-NH2 2.68Å; E115-R119 PolarHBondContact OE1-NH2 3.47Å
116	C	96.4	Very high	85.4	Confident	0 Å²	0	75 Å²	75	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-60.5	-51.2	175.9	179.2	0	0	0	0	111.3	Y88 C95 F110 T112 K113 A118 R119 C120	Y88-C116 PolarHBondContact N-SG 2.77Å; C95-C116 HydrophobicContact CB-CB 3.63Å; C95-C116 WeakPolarHBondContact CB-SG 3.45Å; C95-C116 WeakPolarHBondContact SG-CB 3.37Å; C95-C116 CovalentContact SG-SG 2.02Å; C95-C116 PolarHBondContact SG-SG 2.99Å; F110-C116 HydrophobicContact CB-CB 3.91Å; F110-C116 HydrophobicContact CD2-CB 3.29Å; F110-C116 VanDerWaalsContact CD2-SG 3.51Å; F110-C116 HydrophobicContact CE2-CB 3.94Å; F110-C116 HydrophobicContact CG-CB 3.7Å; T112-C116 PolarHBondContact O-N 3.13Å; K113-C116 WeakPolarHBondContact O-CB 3.11Å; K113-C116 PolarHBondContact O-N 2.78Å; C116-A118 PolarHBondContact O-N 3.35Å; C116-R119 PolarHBondContact O-N 3.03Å; C116-R119 VanDerWaalsContact O-N 3.15Å; C116-C120 WeakPolarHBondContact O-CB 3.48Å; C116-C120 PolarHBondContact O-N 3.34Å
117	E	94.4	Very high	83	Confident	67 Å²	67	82.4 Å²	82.4	31%	0.313	40%	0.404	S	S	.	.	H	α-helix	trans	-62.2	-43.5	-178.2	-70.7	170.7	161.5	0	0	111.2	C95 K113 R119 C120 V121	C95-E117 HydrophobicContact CB-CG 3.97Å; C95-E117 PolarHBondContact SG-N 2.92Å; K113-E117 WeakPolarHBondContact CD-OE1 3.39Å; K113-E117 WeakPolarHBondContact CE-OE1 3.38Å; K113-E117 HydrophobicContact CG-CG 4.29Å; K113-E117 IonicContact NZ-OE1 2.68Å; K113-E117 PolarHBondContact NZ-OE1 2.88Å; K113-E117 WeakPolarHBondContact O-CG 3.22Å; K113-E117 PolarHBondContact O-N 2.86Å; E117-R119 PolarHBondContact O-N 2.96Å; E117-C120 PolarHBondContact O-N 2.82Å; E117-V121 HydrophobicContact CB-CB 4.34Å; E117-V121 HydrophobicContact CB-CG2 4.16Å; E117-V121 HydrophobicContact CG-CG2 4.04Å; E117-V121 WeakPolarHBondContact O-CA 3.34Å; E117-V121 WeakPolarHBondContact O-CB 3.3Å; E117-V121 PolarHBondContact O-N 2.83Å
118	A	91.2	Very high	80.9	Confident	86 Å²	86	79.7 Å²	79.7	71%	0.711	40%	0.398	S	S	*	.	H	α-helix	trans	-62.8	-27	178.3	0	0	0	0	0	113.5	R114 C116	R114-A118 WeakPolarHBondContact O-CB 3.35Å; R114-A118 PolarHBondContact O-N 2.78Å; C116-A118 PolarHBondContact O-N 3.35Å
119	R	89.8	Confident	78.8	Confident	147 Å²	147	86.8 Å²	86.8	56%	0.555	43%	0.431	S	S	*	.	H	α-helix	trans	-93.9	-31.6	178.6	-67.9	-168	-161.6	-172.3	8.6	113.6	C70 F110 E115 C116 E117	C70-R119 PolarHBondContact SG-O 2.76Å; C70-R119 VanDerWaalsContact SG-O 3.37Å; F110-R119 HydrophobicContact CE1-CB 4.46Å; E115-R119 WeakPolarHBondContact O-CG 3.29Å; E115-R119 PolarHBondContact O-N 3.19Å; E115-R119 IonicContact OE1-CZ 3.18Å; E115-R119 IonicContact OE1-NE 2.92Å; E115-R119 IonicContact OE1-NH2 2.68Å; E115-R119 PolarHBondContact OE1-NH2 3.47Å; C116-R119 PolarHBondContact O-N 3.03Å; C116-R119 VanDerWaalsContact O-N 3.15Å; E117-R119 PolarHBondContact O-N 2.96Å
120	C	91.2	Very high	76.4	Confident	8 Å²	8	90.1 Å²	90.1	5%	0.054	45%	0.449	C	S	.	.	H	α-helix	trans	-119.4	-27.3	-166.1	-60.7	0	0	0	0	115.2	C70 Y88 C116 E117 I122	C70-C120 WeakPolarHBondContact CA-SG 3.44Å; C70-C120 HydrophobicContact CB-CB 3.53Å; C70-C120 WeakPolarHBondContact CB-SG 3.34Å; C70-C120 WeakPolarHBondContact SG-CA 3.48Å; C70-C120 WeakPolarHBondContact SG-CB 3.09Å; C70-C120 CovalentContact SG-SG 2.03Å; C70-C120 PolarHBondContact SG-SG 3.23Å; Y88-C120 HydrophobicContact CD1-CB 3.98Å; Y88-C120 HydrophobicContact CD2-CB 3.51Å; Y88-C120 HydrophobicContact CE2-CB 4.13Å; Y88-C120 HydrophobicContact CG-CB 3.41Å; Y88-C120 VanDerWaalsContact CG-CB 3.41Å; C116-C120 WeakPolarHBondContact O-CB 3.48Å; C116-C120 PolarHBondContact O-N 3.34Å; E117-C120 PolarHBondContact O-N 2.82Å; C120-I122 PolarHBondContact O-N 3.26Å
121	V	86.5	Confident	73.8	Confident	48 Å²	48	96.2 Å²	96.2	29%	0.291	49%	0.486	S	S	.	.			trans	-87.8	96.2	176.2	178.9	0	0	0	0	107.3	Y88 E117 T123	Y88-V121 HydrophobicContact CD2-CG2 4.24Å; Y88-V121 HydrophobicContact CE2-CG2 3.89Å; E117-V121 HydrophobicContact CB-CB 4.34Å; E117-V121 HydrophobicContact CB-CG2 4.16Å; E117-V121 HydrophobicContact CG-CG2 4.04Å; E117-V121 WeakPolarHBondContact O-CA 3.34Å; E117-V121 WeakPolarHBondContact O-CB 3.3Å; E117-V121 PolarHBondContact O-N 2.83Å; V121-T123 PolarHBondContact O-N 2.75Å
122	I	71.2	Confident	71.4	Confident	91 Å²	91	96.7 Å²	96.7	47%	0.467	49%	0.492	S	S	.	.			trans	-68.6	113.7	165.6	-59.2	174.9	0	0	0	105.4	D34 C120 R124	D34-I122 WeakPolarHBondContact OD2-CD1 3.22Å; C120-I122 PolarHBondContact O-N 3.26Å; I122-R124 PolarHBondContact O-N 3.04Å
123	T	59.3	Low	68.8	Low	90 Å²	90	100.8 Å²	100.8	55%	0.552	51%	0.506	S	S	*	.			trans	-58.3	105.5	176.8	55.1	0	0	0	0	108	V121 S125 S128	V121-T123 PolarHBondContact O-N 2.75Å; T123-S125 PolarHBondContact O-N 2.82Å; T123-S128 PolarHBondContact OG1-OG 2.81Å
124	R	53.4	Low	66.4	Low	172 Å²	172	102.4 Å²	102.4	65%	0.649	53%	0.526	S	S	*	.			trans	-68.3	43	170.1	-61.9	176.7	68.6	153.1	6.4	111	D93 I122 P126	D93-R124 IonicContact OD2-NH1 3.66Å; I122-R124 PolarHBondContact O-N 3.04Å; R124-P126 WeakPolarHBondContact O-CD 3.09Å
125	S	42	Very low	64.3	Low	47 Å²	47	98.1 Å²	98.1	33%	0.329	52%	0.523	S	S	.	.			trans	-82.6	125.7	177.5	-177	0	0	0	0	107.9	T123 W127 S128	T123-S125 PolarHBondContact O-N 2.82Å; S125-W127 PolarHBondContact O-N 3.38Å; S125-W127 WeakPolarHBondContact OG-CB 3.45Å; S125-W127 PolarHBondContact OG-N 2.62Å; S125-W127 VanDerWaalsContact OG-N 3.11Å; S125-S128 WeakPolarHBondContact CB-OG 3.34Å; S125-S128 PolarHBondContact O-N 3.41Å
126	P	47.5	Very low	61.8	Low	110 Å²	110	104.7 Å²	104.7	71%	0.714	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	-15.4	164.9	-24.6	34.5	0	0	0	113.1	R124	R124-P126 WeakPolarHBondContact O-CD 3.09Å
127	W	46.9	Very low	59.7	Low	188 Å²	188	109.9 Å²	109.9	71%	0.712	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-7.9	179.9	-51.9	91.6	0	0	0	114.1	S125 Q129 L130	S125-W127 PolarHBondContact O-N 3.38Å; S125-W127 WeakPolarHBondContact OG-CB 3.45Å; S125-W127 PolarHBondContact OG-N 2.62Å; S125-W127 VanDerWaalsContact OG-N 3.11Å; W127-Q129 PolarHBondContact O-N 3.28Å; W127-L130 HydrophobicContact CD2-CD1 4.29Å; W127-L130 HydrophobicContact CE3-CD1 3.36Å; W127-L130 HydrophobicContact CZ3-CD1 3.6Å; W127-L130 PolarHBondContact O-N 2.84Å
128	S	52.7	Low	57.6	Low	62 Å²	62	113.7 Å²	113.7	43%	0.434	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.8	-13.1	176.5	-66.8	0	0	0	0	113.2	T123 S125	T123-S128 PolarHBondContact OG1-OG 2.81Å; S125-S128 WeakPolarHBondContact CB-OG 3.34Å; S125-S128 PolarHBondContact O-N 3.41Å
129	Q	51.7	Low	55.9	Low	151 Å²	151	112.5 Å²	112.5	71%	0.706	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	2.2	167.3	-66.3	-151.1	-38.7	0	0	114.1	W127	W127-Q129 PolarHBondContact O-N 3.28Å
130	L	47.6	Very low	54.2	Low	100 Å²	100	114.5 Å²	114.5	52%	0.524	61%	0.609	S	S	.	*			trans	-106.3	37.6	179.1	-71	172.5	0	0	0	112.6	W127 V132	W127-L130 HydrophobicContact CD2-CD1 4.29Å; W127-L130 HydrophobicContact CE3-CD1 3.36Å; W127-L130 HydrophobicContact CZ3-CD1 3.6Å; W127-L130 PolarHBondContact O-N 2.84Å; L130-V132 PolarHBondContact O-N 3.1Å
131	V	45.1	Very low	52.2	Low	128 Å²	128	123.2 Å²	123.2	78%	0.776	65%	0.654	S	S	*	*			trans	-70.7	75.1	155	-74.7	0	0	0	0	108.4	E133	V131-E133 VanDerWaalsContact C-N 3.3Å; V131-E133 PolarHBondContact O-N 2.83Å; V131-E133 VanDerWaalsContact O-N 3.09Å
132	V	46.6	Very low	50.5	Low	115 Å²	115	129.2 Å²	129.2	70%	0.697	68%	0.676	S	S	*	*			trans	-69	101.5	156.9	-163.1	0	0	0	0	103.8	L130	L130-V132 PolarHBondContact O-N 3.1Å
133	E	42.9	Very low	49.6	Very low	157 Å²	157	133.9 Å²	133.9	73%	0.734	69%	0.693	S	S	*	*			trans	-48.1	137	165.1	-65.3	-165.9	151.5	0	0	107.2	V131 T135	V131-E133 VanDerWaalsContact C-N 3.3Å; V131-E133 PolarHBondContact O-N 2.83Å; V131-E133 VanDerWaalsContact O-N 3.09Å; E133-T135 VanDerWaalsContact C-N 3.26Å; E133-T135 PolarHBondContact O-N 3.42Å
134	P	47.1	Very low	49.3	Very low	124 Å²	124	138.9 Å²	138.9	81%	0.805	71%	0.71	S	S	*	*			trans	-62.7	99.1	172.3	-2.3	14.8	0	0	0	106	E136	P134-E136 PolarHBondContact O-N 2.92Å
135	T	50.9	Low	49.5	Very low	117 Å²	117	134.9 Å²	134.9	72%	0.718	71%	0.714	S	S	*	*			trans	-66.4	108.8	168	54.5	0	0	0	0	104.7	E133 D137	E133-T135 VanDerWaalsContact C-N 3.26Å; E133-T135 PolarHBondContact O-N 3.42Å; T135-D137 PolarHBondContact O-N 2.75Å
136	E	44.6	Very low	50.5	Low	190 Å²	190	138.9 Å²	138.9	89%	0.888	74%	0.739	S	S	*	*			trans	-60.4	77.8	164.5	-64.9	-168.4	140.5	0	0	108.4	P134	P134-E136 PolarHBondContact O-N 2.92Å
137	D	50.5	Low	50.8	Low	110 Å²	110	142.4 Å²	142.4	59%	0.588	75%	0.746	S	S	*	*			trans	-119.9	76.6	167.7	-159	-5.6	0	0	0	108.8	T135 S139	T135-D137 PolarHBondContact O-N 2.75Å; D137-S139 VanDerWaalsContact CG-OG 3.29Å; D137-S139 PolarHBondContact O-N 3.12Å; D137-S139 WeakPolarHBondContact OD1-CB 3.45Å; D137-S139 PolarHBondContact OD1-OG 3.43Å
138	T	52.1	Low	51.3	Low	146 Å²	146	144.5 Å²	144.5	90%	0.896	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	63.5	167.8	47.9	0	0	0	0	109.6
139	S	54.8	Low	51.6	Low	61 Å²	61	151.2 Å²	151.2	43%	0.427	79%	0.792	S	S	.	*	T	Hydrogen-bonded Turn	trans	-134.6	-6.2	-179.9	73.9	0	0	0	0	116.5	D137	D137-S139 VanDerWaalsContact CG-OG 3.29Å; D137-S139 PolarHBondContact O-N 3.12Å; D137-S139 WeakPolarHBondContact OD1-CB 3.45Å; D137-S139 PolarHBondContact OD1-OG 3.43Å
140	F	53.6	Low	51.6	Low	189 Å²	189	151.2 Å²	151.2	83%	0.829	80%	0.796	S	S	*	*			trans	-103.3	0.2	-177.9	-94.8	-89.7	0	0	0	117.3	K142	F140-K142 PolarHBondContact O-N 2.92Å
141	L	49.2	Very low	51.8	Low	192 Å²	192	153.9 Å²	153.9	100%	1.005	81%	0.81	S	S	*	*			trans	-76.6	66.4	160.7	-100.5	143.6	0	0	0	109.5
142	K	52.1	Low	52.2	Low	174 Å²	174	155.3 Å²	155.3	76%	0.757	81%	0.812	S	S	*	*			trans	-127.6	129.5	169.9	-127.9	172.5	-171.4	174.8	0	108.2	F140	F140-K142 PolarHBondContact O-N 2.92Å
143	K	51.9	Low	52.5	Low	188 Å²	188	157.7 Å²	157.7	82%	0.817	82%	0.819	S	S	*	*			trans	89.3	87.4	166.7	-51.1	171.8	-176.3	-175	0	114.9
144	Q	52.9	Low	53.1	Low	195 Å²	195	157.8 Å²	157.8	91%	0.911	82%	0.824	S	S	*	*				-159.5	90.1	121.1	-100.6	165.4	34.6	0	0	107.5
145	A	56.8	Low	53.5	Low	89 Å²	89	160 Å²	160	74%	0.736	83%	0.826	S	S	*	*			trans	-72.1	134.3	162.2	0	0	0	0	0	107.7	H147	A145-H147 PolarHBondContact O-N 3.43Å
146	P	63.3	Low	53.7	Low	130 Å²	130	163.1 Å²	163.1	84%	0.844	83%	0.833	S	S	*	*			trans	-75.3	120.1	164.4	29.5	-28.6	0	0	0	108.4
147	H	53.9	Low	54.4	Low	185 Å²	185	161 Å²	161	86%	0.856	83%	0.829	S	S	*	*			trans	-118.2	104.4	167.2	-141.1	-58.4	0	0	0	107.7	A145	A145-H147 PolarHBondContact O-N 3.43Å
148	R	56.6	Low	54.8	Low	232 Å²	232	165.3 Å²	165.3	88%	0.875	85%	0.849	S	S	*	*			trans	163.5	126.4	162.9	-103.6	175.8	174.9	-143.6	-2.7	106.1
149	T	60.1	Low	55	Low	202 Å²	202	167 Å²	167	100%	1.239	85%	0.845	S	S	*	*			cis	-150.9	0	8	-53.5	0	0	0	0	106.3

Retrieved 149 of 149 residues in 323.9 ms (Link to these results)

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