A0A077ZK73_TRITR Loading...

Lustrin cystein domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK73, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 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	31.4	Very low	49.3	Very low	245 Å²	245	124.7 Å²	124.7	100%	1.207	62%	0.622	S	S	*	*				0	104.8	0	-66.7	167.1	169	0	0	108.1
2	K	32.5	Very low	50.7	Low	211 Å²	211	122.5 Å²	122.5	92%	0.917	61%	0.609	S	S	*	*			trans	-119.1	121.1	162.1	-114.8	176.4	178.7	175.4	0	107
3	P	38.5	Very low	51.4	Low	109 Å²	109	121.2 Å²	121.2	71%	0.708	60%	0.604	S	S	*	*			trans	-89.2	144	-166.9	15.4	1.9	0	0	0	111.7	T5	P3-T5 PolarHBondContact O-N 2.79Å; P3-T5 VanDerWaalsContact O-N 3.13Å
4	N	37.2	Very low	51.3	Low	134 Å²	134	124.6 Å²	124.6	72%	0.717	63%	0.625	S	S	*	*			trans	37.9	60.1	149.3	-81.7	-6	0	0	0	117.8	F6	N4-F6 HydrophobicContact CB-CD2 4.27Å; N4-F6 HydrophobicContact CB-CE2 4.14Å; N4-F6 PolarHBondContact O-N 3.38Å
5	T	44.7	Very low	51.1	Low	115 Å²	115	117.4 Å²	117.4	71%	0.706	60%	0.595	S	S	*	*			trans	-87.6	98.7	147.6	40.2	0	0	0	0	107.5	P3 L7	P3-T5 PolarHBondContact O-N 2.79Å; P3-T5 VanDerWaalsContact O-N 3.13Å; T5-L7 PolarHBondContact O-N 3.04Å
6	F	50.6	Low	51.4	Low	184 Å²	184	115.5 Å²	115.5	81%	0.807	60%	0.603	S	S	*	*			trans	-63.7	44.3	168.3	-81	-93.5	0	0	0	111.9	N4	N4-F6 HydrophobicContact CB-CD2 4.27Å; N4-F6 HydrophobicContact CB-CE2 4.14Å; N4-F6 PolarHBondContact O-N 3.38Å
7	L	49.4	Very low	51.5	Low	109 Å²	109	113.8 Å²	113.8	57%	0.571	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-98.8	123.8	176.3	-69.3	175.3	0	0	0	107.7	T5 Y9	T5-L7 PolarHBondContact O-N 3.04Å; L7-Y9 PolarHBondContact O-N 3.4Å
8	P	54.2	Low	51.9	Low	37 Å²	37	112.1 Å²	112.1	24%	0.24	59%	0.594	C	S	.	*	P	Polyproline II helix	trans	-60.9	137	179.8	21.7	-30.2	0	0	0	110.5	Q10 H32 I36	P8-Q10 PolarHBondContact O-N 2.9Å; P8-H32 VanDerWaalsContact CG-CD2 3.43Å; P8-H32 WeakPolarHBondContact CG-CD2 3.34Å; P8-H32 WeakPolarHBondContact CG-NE2 3.09Å; P8-I36 HydrophobicContact CB-CB 4.08Å; P8-I36 HydrophobicContact CB-CD1 3.67Å; P8-I36 HydrophobicContact CB-CG1 4.48Å; P8-I36 HydrophobicContact CB-CG2 4.07Å; P8-I36 HydrophobicContact CG-CD1 3.9Å; P8-I36 HydrophobicContact CG-CG2 4.01Å
9	Y	64	Low	52.5	Low	131 Å²	131	115.9 Å²	115.9	51%	0.514	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-59	118.3	-173.3	-162	-92.9	0	0	0	109.4	L7 I36 C37	L7-Y9 PolarHBondContact O-N 3.4Å; Y9-I36 CarbonylContact O-C 3.59Å; Y9-I36 WeakPolarHBondContact O-CA 3.46Å; Y9-I36 WeakPolarHBondContact O-CB 2.98Å; Y9-C37 HydrophobicContact CD1-CB 4.27Å; Y9-C37 PolarHBondContact O-N 2.03Å
10	Q	69.5	Low	53.1	Low	94 Å²	94	111.6 Å²	111.6	44%	0.439	58%	0.579	S	S	.	*	B	Isolated β-bridge	trans	-80.3	146.5	-176.1	-179.8	172.9	-8.7	0	0	110.5	P8 R34 Y35	P8-Q10 PolarHBondContact O-N 2.9Å; Q10-R34 HydrophobicContact CG-CG 4.48Å; Q10-Y35 CarbonylContact C-O 3.49Å; Q10-Y35 VanDerWaalsContact CA-O 3.32Å; Q10-Y35 WeakPolarHBondContact CA-O 3.33Å; Q10-Y35 WeakPolarHBondContact CG-O 3.06Å
11	C	70.8	Confident	53.7	Low	3 Å²	3	109.3 Å²	109.3	2%	0.02	57%	0.572	C	S	.	*			trans	-134.3	164.3	174.8	56.1	0	0	0	0	111.9	N18 C26 Y35 I36 C37	C11-N18 WeakPolarHBondContact CA-O 3.41Å; C11-N18 WeakPolarHBondContact CB-O 3Å; C11-C26 HydrophobicContact CB-CB 3.79Å; C11-C26 WeakPolarHBondContact CB-SG 3.29Å; C11-C26 WeakPolarHBondContact SG-CA 3.06Å; C11-C26 WeakPolarHBondContact SG-CB 3.45Å; C11-C26 CovalentContact SG-SG 2.01Å; C11-C26 PolarHBondContact SG-SG 2.83Å; C11-Y35 PolarHBondContact N-O 2.86Å; C11-Y35 WeakPolarHBondContact O-CB 3.22Å; C11-I36 VanDerWaalsContact SG-C 3.52Å; C11-C37 VanDerWaalsContact CB-SG 3.59Å
12	E	65.7	Low	55	Low	98 Å²	98	102.8 Å²	102.8	46%	0.458	55%	0.55	S	S	.	*			trans	-126.3	135.6	180	-68.5	176.1	-163.5	0	0	110.4	N14	E12-N14 VanDerWaalsContact C-N 3.3Å; E12-N14 PolarHBondContact O-N 3.44Å
13	L	59.8	Low	56	Low	105 Å²	105	99.5 Å²	99.5	55%	0.55	54%	0.543	S	S	.	.	S	Bend	trans	-70.2	-24.9	-177.8	-68.5	178.9	0	0	0	113.4	Y35	L13-Y35 HydrophobicContact CD1-CD1 4.27Å; L13-Y35 HydrophobicContact CD1-CE1 3.51Å; L13-Y35 HydrophobicContact CD1-CE2 4.03Å; L13-Y35 WeakPolarHBondContact CD1-OH 3.28Å; L13-Y35 HydrophobicContact CD2-CD1 4.15Å; L13-Y35 HydrophobicContact CD2-CE1 4.02Å; L13-Y35 HydrophobicContact CG-CD1 4.05Å; L13-Y35 HydrophobicContact CG-CE1 3.79Å; L13-Y35 HydrophobicContact CG-CE2 4.38Å; L13-Y35 HydrophobicContact CG-CG 4.46Å
14	N	49.6	Very low	57.1	Low	169 Å²	169	99.4 Å²	99.4	90%	0.904	53%	0.529	S	S	*	.	S	Bend	trans	-125.6	11.2	-171.7	-70.4	-35	0	0	0	114.5	E12	E12-N14 VanDerWaalsContact C-N 3.3Å; E12-N14 PolarHBondContact O-N 3.44Å
15	G	48.7	Very low	58.3	Low	17 Å²	17	98.8 Å²	98.8	18%	0.175	53%	0.525	C	S	.	.			trans	-104	136.3	179	0	0	0	0	0	112.4	S17	G15-S17 PolarHBondContact O-N 3.22Å
16	A	56	Low	59.3	Low	87 Å²	87	94.9 Å²	94.9	72%	0.719	50%	0.502	S	S	*	.	S	Bend	trans	-65.2	-23.1	165.6	0	0	0	0	0	111.6
17	S	52.9	Low	59.9	Low	86 Å²	86	89.8 Å²	89.8	60%	0.601	48%	0.481	S	S	*	.	S	Bend	trans	-92.5	137.7	178.6	-51.1	0	0	0	0	110.1	G15	G15-S17 PolarHBondContact O-N 3.22Å
18	N	58.9	Low	60.4	Low	83 Å²	83	88.1 Å²	88.1	44%	0.444	47%	0.467	S	S	.	.	S	Bend	trans	69.5	47.2	-179.7	-56.9	-30.2	0	0	0	116.1	C11	C11-N18 WeakPolarHBondContact CA-O 3.41Å; C11-N18 WeakPolarHBondContact CB-O 3Å
19	R	63.7	Low	60.6	Low	186 Å²	186	87.3 Å²	87.3	70%	0.702	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-76.3	149.6	163.1	-66.4	-177.6	-174.6	-174.3	1.7	110.6
20	C	64.7	Low	59.9	Low	28 Å²	28	83.1 Å²	83.1	19%	0.189	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-62.5	140.9	175.4	-64.9	0	0	0	0	111.4	Y24 C26 C37	C20-Y24 WeakPolarHBondContact CB-O 3.22Å; C20-C26 VanDerWaalsContact SG-CA 3.52Å; C20-C26 PolarHBondContact SG-N 3.46Å; C20-C26 VanDerWaalsContact SG-N 3.4Å; C20-C37 WeakPolarHBondContact CA-SG 3.02Å; C20-C37 HydrophobicContact CB-CB 3.75Å; C20-C37 WeakPolarHBondContact CB-SG 3.35Å; C20-C37 WeakPolarHBondContact SG-CA 3.49Å; C20-C37 WeakPolarHBondContact SG-CB 3.32Å; C20-C37 CovalentContact SG-SG 2.03Å; C20-C37 PolarHBondContact SG-SG 2.89Å
21	P	64.9	Low	58.9	Low	64 Å²	64	87 Å²	87	42%	0.416	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-61.9	159.1	170.5	27	-32.1	0	0	0	110	N23 Y24	P21-N23 PolarHBondContact O-N 3.41Å; P21-Y24 HydrophobicContact CG-CD2 3.79Å; P21-Y24 HydrophobicContact CG-CE2 4.37Å; P21-Y24 HydrophobicContact CG-CG 4.19Å; P21-Y24 PolarHBondContact O-N 2.91Å
22	S	58.5	Low	58.3	Low	108 Å²	108	90.5 Å²	90.5	76%	0.755	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	136.3	177.8	-56.7	0	0	0	0	111.3
23	N	53	Low	58	Low	142 Å²	142	88.1 Å²	88.1	76%	0.759	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	7.1	-174.4	-48.6	-34.6	0	0	0	116.6	P21 G40	P21-N23 PolarHBondContact O-N 3.41Å; N23-G40 PolarHBondContact O-N 3.21Å; N23-G40 VanDerWaalsContact O-N 3.11Å
24	Y	62.5	Low	58.2	Low	108 Å²	108	86.3 Å²	86.3	42%	0.424	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.1	171.7	-65.8	-106.7	0	0	0	111	C20 P21 C37 C38 S39	C20-Y24 WeakPolarHBondContact CB-O 3.22Å; P21-Y24 HydrophobicContact CG-CD2 3.79Å; P21-Y24 HydrophobicContact CG-CE2 4.37Å; P21-Y24 HydrophobicContact CG-CG 4.19Å; P21-Y24 PolarHBondContact O-N 2.91Å; Y24-C37 HydrophobicContact CD1-CB 4.26Å; Y24-C37 WeakPolarHBondContact CD1-O 3.02Å; Y24-C37 HydrophobicContact CG-CB 4.38Å; Y24-C38 CarbonylContact C-O 3.2Å; Y24-C38 VanDerWaalsContact CA-O 3.23Å; Y24-C38 WeakPolarHBondContact CA-O 3.26Å; Y24-S39 VanDerWaalsContact CD1-CA 3.47Å
25	L	62.7	Low	59.3	Low	121 Å²	121	82 Å²	82	63%	0.634	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.3	177.7	-178.1	66.6	0	0	0	110.3	Q27 C37 C38	L25-Q27 PolarHBondContact O-N 3.44Å; L25-C37 WeakPolarHBondContact O-CA 2.98Å; L25-C38 PolarHBondContact N-O 3.29Å; L25-C38 PolarHBondContact O-N 3.02Å
26	C	64.5	Low	60.3	Low	33 Å²	33	81.9 Å²	81.9	22%	0.223	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	106	173.9	-171	0	0	0	0	110.4	C11 C20	C11-C26 HydrophobicContact CB-CB 3.79Å; C11-C26 WeakPolarHBondContact CB-SG 3.29Å; C11-C26 WeakPolarHBondContact SG-CA 3.06Å; C11-C26 WeakPolarHBondContact SG-CB 3.45Å; C11-C26 CovalentContact SG-SG 2.01Å; C11-C26 PolarHBondContact SG-SG 2.83Å; C20-C26 VanDerWaalsContact SG-CA 3.52Å; C20-C26 PolarHBondContact SG-N 3.46Å; C20-C26 VanDerWaalsContact SG-N 3.4Å
27	Q	62.7	Low	60.8	Low	77 Å²	77	78.1 Å²	78.1	36%	0.36	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.9	-177.3	-175.8	176.4	-6	0	0	110.3	L25 S29 Y35 I36 E115	L25-Q27 PolarHBondContact O-N 3.44Å; Q27-S29 PolarHBondContact O-N 3.36Å; Q27-Y35 CarbonylContact O-C 3.58Å; Q27-Y35 WeakPolarHBondContact O-CA 2.98Å; Q27-I36 PolarHBondContact N-O 3.42Å; Q27-I36 PolarHBondContact O-N 2.86Å; Q27-I36 VanDerWaalsContact O-O 3.07Å; Q27-E115 PolarHBondContact NE2-OE1 3.43Å
28	Y	61.6	Low	61	Low	73 Å²	73	76 Å²	76	29%	0.286	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	118.6	174.5	-169.7	-95.7	0	0	0	110.3	G33 Y35 P121	Y28-G33 WeakPolarHBondContact OH-CA 3.04Å; Y28-G33 PolarHBondContact OH-O 3.13Å; Y28-Y35 HydrophobicContact CD2-CD1 4.4Å; Y28-Y35 AromaticContact CD2-CD2 3.7Å; Y28-Y35 HydrophobicContact CD2-CD2 3.7Å; Y28-Y35 HydrophobicContact CD2-CE1 4.32Å; Y28-Y35 AromaticContact CD2-CE2 3.6Å; Y28-Y35 HydrophobicContact CD2-CE2 3.6Å; Y28-Y35 HydrophobicContact CD2-CG 4.09Å; Y28-Y35 AromaticContact CD2-CZ 3.91Å; Y28-Y35 HydrophobicContact CE2-CD2 4.48Å; Y28-Y35 HydrophobicContact CE2-CE2 4.37Å; Y28-Y35 HydrophobicContact CG-CE1 4.45Å; Y28-Y35 HydrophobicContact CG-CE2 4.44Å; Y28-P121 HydrophobicContact CD1-CG 4.3Å; Y28-P121 HydrophobicContact CE1-CG 3.49Å; Y28-P121 VanDerWaalsContact CE1-CG 3.49Å
29	S	56.9	Low	61.3	Low	21 Å²	21	74.4 Å²	74.4	15%	0.147	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113.3	172.2	177.4	0	0	0	0	110	Q27 M31 H32 G33 R34 I36	Q27-S29 PolarHBondContact O-N 3.36Å; S29-M31 PolarHBondContact O-N 2.77Å; S29-M31 PolarHBondContact OG-N 2.83Å; S29-H32 PolarHBondContact O-N 2.76Å; S29-H32 VanDerWaalsContact O-N 3.12Å; S29-H32 PolarHBondContact OG-CD2 3.12Å; S29-G33 PolarHBondContact O-N 3.47Å; S29-R34 PolarHBondContact N-O 3.28Å; S29-R34 PolarHBondContact O-N 3.5Å; S29-I36 VanDerWaalsContact CB-CD1 3.43Å
30	G	49.4	Very low	60.7	Low	42 Å²	42	67.9 Å²	67.9	43%	0.433	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.7	173.5	0	0	0	0	0	113	H32	G30-H32 VanDerWaalsContact C-N 3.32Å; G30-H32 PolarHBondContact O-N 3.29Å
31	M	49.1	Very low	59.6	Low	175 Å²	175	72.5 Å²	72.5	86%	0.862	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-33	175.6	-71.9	-174.1	63.4	0	0	112.9	S29	S29-M31 PolarHBondContact O-N 2.77Å; S29-M31 PolarHBondContact OG-N 2.83Å
32	H	57.6	Low	58.5	Low	78 Å²	78	74 Å²	74	36%	0.361	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-4	-177.5	-61.9	-68.3	0	0	0	113.7	P8 S29 G30 R34	P8-H32 VanDerWaalsContact CG-CD2 3.43Å; P8-H32 WeakPolarHBondContact CG-CD2 3.34Å; P8-H32 WeakPolarHBondContact CG-NE2 3.09Å; S29-H32 PolarHBondContact O-N 2.76Å; S29-H32 VanDerWaalsContact O-N 3.12Å; S29-H32 PolarHBondContact OG-CD2 3.12Å; G30-H32 VanDerWaalsContact C-N 3.32Å; G30-H32 PolarHBondContact O-N 3.29Å; H32-R34 HydrophobicContact CB-CG 3.98Å; H32-R34 PolarHBondContact O-N 3.11Å
33	G	59.6	Low	57.1	Low	47 Å²	47	79.5 Å²	79.5	49%	0.485	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	23.9	-178.2	0	0	0	0	0	113.9	Y28 S29	Y28-G33 WeakPolarHBondContact OH-CA 3.04Å; Y28-G33 PolarHBondContact OH-O 3.13Å; S29-G33 PolarHBondContact O-N 3.47Å
34	R	64.6	Low	56.1	Low	68 Å²	68	77.6 Å²	77.6	26%	0.257	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	161.2	-174.4	69.9	-164.2	-176.1	-148.9	2.2	112.1	Q10 S29 H32 I36	Q10-R34 HydrophobicContact CG-CG 4.48Å; S29-R34 PolarHBondContact N-O 3.28Å; S29-R34 PolarHBondContact O-N 3.5Å; H32-R34 HydrophobicContact CB-CG 3.98Å; H32-R34 PolarHBondContact O-N 3.11Å; R34-I36 HydrophobicContact CG-CG2 3.85Å
35	Y	72.2	Confident	54.5	Low	79 Å²	79	78.6 Å²	78.6	31%	0.31	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125.1	171.5	-73.5	-87.6	0	0	0	110.4	Q10 C11 L13 Q27 Y28	Q10-Y35 CarbonylContact C-O 3.49Å; Q10-Y35 VanDerWaalsContact CA-O 3.32Å; Q10-Y35 WeakPolarHBondContact CA-O 3.33Å; Q10-Y35 WeakPolarHBondContact CG-O 3.06Å; C11-Y35 PolarHBondContact N-O 2.86Å; C11-Y35 WeakPolarHBondContact O-CB 3.22Å; L13-Y35 HydrophobicContact CD1-CD1 4.27Å; L13-Y35 HydrophobicContact CD1-CE1 3.51Å; L13-Y35 HydrophobicContact CD1-CE2 4.03Å; L13-Y35 WeakPolarHBondContact CD1-OH 3.28Å; L13-Y35 HydrophobicContact CD2-CD1 4.15Å; L13-Y35 HydrophobicContact CD2-CE1 4.02Å; L13-Y35 HydrophobicContact CG-CD1 4.05Å; L13-Y35 HydrophobicContact CG-CE1 3.79Å; L13-Y35 HydrophobicContact CG-CE2 4.38Å; L13-Y35 HydrophobicContact CG-CG 4.46Å; Q27-Y35 CarbonylContact O-C 3.58Å; Q27-Y35 WeakPolarHBondContact O-CA 2.98Å; Y28-Y35 HydrophobicContact CD2-CD1 4.4Å; Y28-Y35 AromaticContact CD2-CD2 3.7Å; Y28-Y35 HydrophobicContact CD2-CD2 3.7Å; Y28-Y35 HydrophobicContact CD2-CE1 4.32Å; Y28-Y35 AromaticContact CD2-CE2 3.6Å; Y28-Y35 HydrophobicContact CD2-CE2 3.6Å; Y28-Y35 HydrophobicContact CD2-CG 4.09Å; Y28-Y35 AromaticContact CD2-CZ 3.91Å; Y28-Y35 HydrophobicContact CE2-CD2 4.48Å; Y28-Y35 HydrophobicContact CE2-CE2 4.37Å; Y28-Y35 HydrophobicContact CG-CE1 4.45Å; Y28-Y35 HydrophobicContact CG-CE2 4.44Å
36	I	69.9	Low	53	Low	13 Å²	13	78.7 Å²	78.7	7%	0.067	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	157.5	179.3	63.9	166.2	0	0	0	110.4	P8 Y9 C11 Q27 S29 R34 C38	P8-I36 HydrophobicContact CB-CB 4.08Å; P8-I36 HydrophobicContact CB-CD1 3.67Å; P8-I36 HydrophobicContact CB-CG1 4.48Å; P8-I36 HydrophobicContact CB-CG2 4.07Å; P8-I36 HydrophobicContact CG-CD1 3.9Å; P8-I36 HydrophobicContact CG-CG2 4.01Å; Y9-I36 CarbonylContact O-C 3.59Å; Y9-I36 WeakPolarHBondContact O-CA 3.46Å; Y9-I36 WeakPolarHBondContact O-CB 2.98Å; C11-I36 VanDerWaalsContact SG-C 3.52Å; Q27-I36 PolarHBondContact N-O 3.42Å; Q27-I36 PolarHBondContact O-N 2.86Å; Q27-I36 VanDerWaalsContact O-O 3.07Å; S29-I36 VanDerWaalsContact CB-CD1 3.43Å; R34-I36 HydrophobicContact CG-CG2 3.85Å; I36-C38 PolarHBondContact O-N 2.04Å
37	C	67.5	Low	51.4	Low	9 Å²	9	86.1 Å²	86.1	6%	0.061	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	103.9	174.9	-63.1	0	0	0	0	109	Y9 C11 C20 Y24 L25	Y9-C37 HydrophobicContact CD1-CB 4.27Å; Y9-C37 PolarHBondContact O-N 2.03Å; C11-C37 VanDerWaalsContact CB-SG 3.59Å; C20-C37 WeakPolarHBondContact CA-SG 3.02Å; C20-C37 HydrophobicContact CB-CB 3.75Å; C20-C37 WeakPolarHBondContact CB-SG 3.35Å; C20-C37 WeakPolarHBondContact SG-CA 3.49Å; C20-C37 WeakPolarHBondContact SG-CB 3.32Å; C20-C37 CovalentContact SG-SG 2.03Å; C20-C37 PolarHBondContact SG-SG 2.89Å; Y24-C37 HydrophobicContact CD1-CB 4.26Å; Y24-C37 WeakPolarHBondContact CD1-O 3.02Å; Y24-C37 HydrophobicContact CG-CB 4.38Å; L25-C37 WeakPolarHBondContact O-CA 2.98Å
38	C	57.6	Low	50.2	Low	42 Å²	42	86.9 Å²	86.9	28%	0.284	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132.1	175.7	-67.4	0	0	0	0	109.8	Y24 L25 I36 G40	Y24-C38 CarbonylContact C-O 3.2Å; Y24-C38 VanDerWaalsContact CA-O 3.23Å; Y24-C38 WeakPolarHBondContact CA-O 3.26Å; L25-C38 PolarHBondContact N-O 3.29Å; L25-C38 PolarHBondContact O-N 3.02Å; I36-C38 PolarHBondContact O-N 2.04Å; C38-G40 PolarHBondContact O-N 2.03Å
39	S	63.4	Low	48.7	Very low	49 Å²	49	91.9 Å²	91.9	34%	0.343	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	128.9	174.4	-172.1	0	0	0	0	109.2	Y24 N41 A42	Y24-S39 VanDerWaalsContact CD1-CA 3.47Å; S39-N41 PolarHBondContact O-N 2.81Å; S39-A42 PolarHBondContact O-N 2.92Å
40	G	51.5	Low	47.7	Very low	49 Å²	49	95.7 Å²	95.7	51%	0.505	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-59.5	-6.7	175.6	0	0	0	0	0	114.6	N23 C38 A42	N23-G40 PolarHBondContact O-N 3.21Å; N23-G40 VanDerWaalsContact O-N 3.11Å; C38-G40 PolarHBondContact O-N 2.03Å; G40-A42 PolarHBondContact O-N 2.9Å
41	N	42.5	Very low	47.1	Very low	125 Å²	125	98.7 Å²	98.7	67%	0.668	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-79.4	-3.6	-178.6	-98	-3.1	0	0	0	115.9	S39 Y43 V44	S39-N41 PolarHBondContact O-N 2.81Å; N41-Y43 PolarHBondContact O-N 3.25Å; N41-Y43 VanDerWaalsContact O-N 3.13Å; N41-V44 WeakPolarHBondContact O-CG2 3.33Å
42	A	40.6	Very low	46.3	Very low	94 Å²	94	98.9 Å²	98.9	78%	0.777	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-72.8	2.9	175.8	0	0	0	0	0	114.1	S39 G40	S39-A42 PolarHBondContact O-N 2.92Å; G40-A42 PolarHBondContact O-N 2.9Å
43	Y	30.9	Very low	45.4	Very low	225 Å²	225	99.4 Å²	99.4	88%	0.882	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-131.2	59.5	172.3	-107.8	-90	0	0	0	110.8	N41	N41-Y43 PolarHBondContact O-N 3.25Å; N41-Y43 VanDerWaalsContact O-N 3.13Å
44	V	30.2	Very low	44	Very low	101 Å²	101	101.5 Å²	101.5	61%	0.612	56%	0.558	S	S	*	*			trans	-65.5	140.5	159.4	-135.8	0	0	0	0	106.5	N41	N41-V44 WeakPolarHBondContact O-CG2 3.33Å
45	N	29	Very low	42.9	Very low	130 Å²	130	106.8 Å²	106.8	70%	0.695	59%	0.592	S	S	*	*			cis	-176.2	111.8	44.1	-142.9	-22.2	0	0	0	108.8
46	T	33.1	Very low	41.3	Very low	122 Å²	122	110.8 Å²	110.8	75%	0.748	61%	0.613	S	S	*	*			trans	-155	115.9	145.2	28.8	0	0	0	0	106.8	I48	T46-I48 VanDerWaalsContact C-N 3.32Å; T46-I48 PolarHBondContact O-N 3.26Å
47	Q	30.5	Very low	40.3	Very low	189 Å²	189	113.3 Å²	113.3	88%	0.883	64%	0.642	S	S	*	*			trans	-63.1	96.3	171.5	-61	-168.1	-61.6	0	0	108
48	I	37.4	Very low	39.6	Very low	93 Å²	93	114.1 Å²	114.1	48%	0.477	65%	0.646	S	S	.	*			trans	-103.4	103.7	165.4	-51.3	178.7	0	0	0	104.8	T46 S50 M65	T46-I48 VanDerWaalsContact C-N 3.32Å; T46-I48 PolarHBondContact O-N 3.26Å; I48-S50 PolarHBondContact O-N 3.43Å; I48-M65 HydrophobicContact CD1-CE 3.77Å; I48-M65 HydrophobicContact CD1-SD 3.24Å; I48-M65 WeakPolarHBondContact CD1-SD 2.98Å
49	E	29.2	Very low	39.4	Very low	179 Å²	179	117.1 Å²	117.1	84%	0.836	66%	0.656	S	S	*	*			trans	-48.3	117.8	-178.6	-68.6	170.7	131.9	0	0	110.6	S51	E49-S51 PolarHBondContact O-N 3.5Å; E49-S51 VanDerWaalsContact O-N 3.07Å
50	S	36.3	Very low	38.7	Very low	100 Å²	100	122.2 Å²	122.2	70%	0.699	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	36	-167.7	-172.1	0	0	0	0	113.8	I48	I48-S50 PolarHBondContact O-N 3.43Å
51	S	36.7	Very low	38.6	Very low	106 Å²	106	125 Å²	125	74%	0.741	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.5	-9.5	-166.4	-58.7	0	0	0	0	116.7	E49	E49-S51 PolarHBondContact O-N 3.5Å; E49-S51 VanDerWaalsContact O-N 3.07Å
52	Q	32.2	Very low	39.5	Very low	178 Å²	178	120.4 Å²	120.4	83%	0.832	64%	0.643	S	S	*	*			trans	-145.8	65.1	-177.4	-67.6	177.3	-89	0	0	112.8
53	I	37.9	Very low	40.4	Very low	89 Å²	89	116 Å²	116	46%	0.456	61%	0.606	S	S	.	*			trans	-122.9	88.5	161.5	-37.2	-177.7	0	0	0	106.7	Q62	I53-Q62 VanDerWaalsContact CD1-CD 3.45Å; I53-Q62 HydrophobicContact CD1-CG 4.48Å
54	P	30.2	Very low	41.9	Very low	91 Å²	91	106.7 Å²	106.7	59%	0.591	58%	0.579	S	S	*	*			trans	-49.9	151.3	165.6	-20.5	31.3	0	0	0	108.7	Q56	P54-Q56 HydrophobicContact CB-CG 4.3Å; P54-Q56 PolarHBondContact O-N 3.17Å
55	N	41.5	Very low	43.6	Very low	179 Å²	179	106.6 Å²	106.6	96%	0.957	57%	0.574	S	S	*	*	S	Bend	trans	-59.6	34.5	175.1	-100.3	-42.2	0	0	0	114.5
56	Q	39.7	Very low	45.7	Very low	163 Å²	163	101.4 Å²	101.4	76%	0.762	55%	0.546	S	S	*	.	S	Bend	trans	-77.5	117.7	160.8	-59.5	-74.3	-47.3	0	0	105	P54	P54-Q56 HydrophobicContact CB-CG 4.3Å; P54-Q56 PolarHBondContact O-N 3.17Å
57	G	49.4	Very low	47.7	Very low	66 Å²	66	95.9 Å²	95.9	68%	0.68	51%	0.512	S	S	*	.			trans	-42.7	153.6	-165.8	0	0	0	0	0	115.3	H59	G57-H59 PolarHBondContact O-N 3.43Å
58	I	52.2	Low	49.7	Very low	26 Å²	26	89.6 Å²	89.6	13%	0.133	50%	0.497	C	S	.	.			trans	-47.4	104.4	-174.5	-51.7	-168.7	0	0	0	110.3	Q62 A63 I66 V79 A102 I104	I58-Q62 HydrophobicContact CG2-CB 3.77Å; I58-A63 HydrophobicContact CG2-CB 4.1Å; I58-I66 HydrophobicContact CD1-CD1 3.79Å; I58-I66 HydrophobicContact CG2-CD1 3.89Å; I58-V79 VanDerWaalsContact O-CG2 3.29Å; I58-V79 WeakPolarHBondContact O-CG2 3.32Å; I58-A102 HydrophobicContact CD1-CB 3.3Å; I58-A102 HydrophobicContact CG1-CB 4.03Å; I58-I104 HydrophobicContact CD1-CG2 3.41Å; I58-I104 VanDerWaalsContact CD1-CG2 3.41Å; I58-I104 HydrophobicContact CG1-CG2 4.35Å
59	H	54.3	Low	51.1	Low	106 Å²	106	94.8 Å²	94.8	49%	0.491	52%	0.516	S	S	.	.			trans	-71.2	152.2	-178.7	-167.6	-130.8	0	0	0	109.5	G57 M61 Q62 A63	G57-H59 PolarHBondContact O-N 3.43Å; H59-M61 PolarHBondContact O-N 2.76Å; H59-Q62 PolarHBondContact O-N 3.33Å; H59-A63 PolarHBondContact O-N 3.3Å; H59-A63 VanDerWaalsContact O-N 3.12Å
60	W	47.9	Very low	53.3	Low	156 Å²	156	87.6 Å²	87.6	59%	0.591	48%	0.482	S	S	*	.	H	α-helix	trans	-47.1	-38.7	-171.9	62.5	-93.2	0	0	0	114.3	A63 G64	W60-A63 PolarHBondContact O-N 3.24Å; W60-G64 PolarHBondContact O-N 3.46Å; W60-G64 VanDerWaalsContact O-N 3.09Å
61	M	49.9	Very low	55.2	Low	107 Å²	107	89.9 Å²	89.9	53%	0.527	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-45.6	179.6	-66.3	-178.3	-163.9	0	0	111.6	H59 M65	H59-M61 PolarHBondContact O-N 2.76Å; M61-M65 PolarHBondContact O-N 3.41Å
62	Q	61.5	Low	57.3	Low	29 Å²	29	86.1 Å²	86.1	14%	0.136	45%	0.452	C	S	.	.	H	α-helix	trans	-69.2	-38.4	177.3	-86.6	164.8	-94.3	0	0	111.4	I53 I58 H59 G64 M65 I66	I53-Q62 VanDerWaalsContact CD1-CD 3.45Å; I53-Q62 HydrophobicContact CD1-CG 4.48Å; I58-Q62 HydrophobicContact CG2-CB 3.77Å; H59-Q62 PolarHBondContact O-N 3.33Å; Q62-G64 VanDerWaalsContact C-N 3.28Å; Q62-G64 PolarHBondContact O-N 3.38Å; Q62-M65 HydrophobicContact CB-CE 4.29Å; Q62-M65 HydrophobicContact CG-CE 3.7Å; Q62-M65 WeakPolarHBondContact O-CB 3.45Å; Q62-M65 PolarHBondContact O-N 3.46Å; Q62-I66 VanDerWaalsContact O-CG1 3.32Å; Q62-I66 WeakPolarHBondContact O-CG1 3.11Å; Q62-I66 PolarHBondContact O-N 2.84Å
63	A	58.5	Low	59.4	Low	0 Å²	0	78.1 Å²	78.1	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-61.1	-37.9	179.5	0	0	0	0	0	112.5	I58 H59 W60 M65 I66 C67 P72 V79 I104	I58-A63 HydrophobicContact CG2-CB 4.1Å; H59-A63 PolarHBondContact O-N 3.3Å; H59-A63 VanDerWaalsContact O-N 3.12Å; W60-A63 PolarHBondContact O-N 3.24Å; A63-M65 VanDerWaalsContact C-N 3.32Å; A63-M65 PolarHBondContact O-N 3.28Å; A63-I66 PolarHBondContact O-N 2.88Å; A63-C67 WeakPolarHBondContact O-CB 3.49Å; A63-C67 PolarHBondContact O-N 3.39Å; A63-C67 PolarHBondContact O-SG 2.72Å; A63-C67 VanDerWaalsContact O-SG 3.38Å; A63-P72 HydrophobicContact CB-CB 3.7Å; A63-P72 HydrophobicContact CB-CG 3.9Å; A63-V79 HydrophobicContact CB-CB 4.28Å; A63-V79 HydrophobicContact CB-CG1 3.75Å; A63-V79 HydrophobicContact CB-CG2 3.62Å; A63-I104 HydrophobicContact CB-CD1 3.59Å
64	G	62.2	Low	61.2	Low	31 Å²	31	78.3 Å²	78.3	32%	0.32	42%	0.416	S	S	.	.	H	α-helix	trans	-59.4	-40.9	171.6	0	0	0	0	0	112.9	W60 Q62 C67 G68	W60-G64 PolarHBondContact O-N 3.46Å; W60-G64 VanDerWaalsContact O-N 3.09Å; Q62-G64 VanDerWaalsContact C-N 3.28Å; Q62-G64 PolarHBondContact O-N 3.38Å; G64-C67 PolarHBondContact O-N 3.39Å; G64-G68 WeakPolarHBondContact O-CA 3.43Å; G64-G68 PolarHBondContact O-N 3.31Å
65	M	67.1	Low	63.1	Low	99 Å²	99	78.1 Å²	78.1	49%	0.488	41%	0.407	S	S	.	.	H	α-helix	trans	-66.8	-36.5	176.8	-64.3	-171.1	-75.8	0	0	112.8	I48 M61 Q62 A63	I48-M65 HydrophobicContact CD1-CE 3.77Å; I48-M65 HydrophobicContact CD1-SD 3.24Å; I48-M65 WeakPolarHBondContact CD1-SD 2.98Å; M61-M65 PolarHBondContact O-N 3.41Å; Q62-M65 HydrophobicContact CB-CE 4.29Å; Q62-M65 HydrophobicContact CG-CE 3.7Å; Q62-M65 WeakPolarHBondContact O-CB 3.45Å; Q62-M65 PolarHBondContact O-N 3.46Å; A63-M65 VanDerWaalsContact C-N 3.32Å; A63-M65 PolarHBondContact O-N 3.28Å
66	I	73	Confident	64.5	Low	21 Å²	21	77 Å²	77	11%	0.108	40%	0.401	C	S	.	.	H	α-helix	trans	-70.2	-44.7	177.5	-54.3	168.8	0	0	0	110.6	I58 Q62 A63 G68 I95 R97 I104	I58-I66 HydrophobicContact CD1-CD1 3.79Å; I58-I66 HydrophobicContact CG2-CD1 3.89Å; Q62-I66 VanDerWaalsContact O-CG1 3.32Å; Q62-I66 WeakPolarHBondContact O-CG1 3.11Å; Q62-I66 PolarHBondContact O-N 2.84Å; A63-I66 PolarHBondContact O-N 2.88Å; I66-G68 VanDerWaalsContact C-N 3.35Å; I66-I95 HydrophobicContact CG2-CB 4.04Å; I66-I95 HydrophobicContact CG2-CG2 3.81Å; I66-R97 HydrophobicContact CB-CG 4.46Å; I66-R97 HydrophobicContact CD1-CG 3.53Å; I66-R97 HydrophobicContact CG1-CG 3.46Å; I66-R97 VanDerWaalsContact CG1-CG 3.46Å; I66-R97 HydrophobicContact CG2-CG 4.25Å; I66-I104 HydrophobicContact CB-CD1 3.97Å; I66-I104 HydrophobicContact CB-CG1 4.1Å; I66-I104 HydrophobicContact CD1-CD1 3.87Å; I66-I104 HydrophobicContact CD1-CG1 3.94Å; I66-I104 HydrophobicContact CG1-CD1 4.47Å; I66-I104 HydrophobicContact CG2-CD1 4.23Å; I66-I104 HydrophobicContact CG2-CG1 3.8Å
67	C	73.6	Confident	65.8	Low	6 Å²	6	76.7 Å²	76.7	4%	0.041	41%	0.405	C	S	.	.	H	α-helix	trans	-77.5	-20.8	-178.2	-63.7	0	0	0	0	113.3	A63 G64 K69 R70 P72 C106	A63-C67 WeakPolarHBondContact O-CB 3.49Å; A63-C67 PolarHBondContact O-N 3.39Å; A63-C67 PolarHBondContact O-SG 2.72Å; A63-C67 VanDerWaalsContact O-SG 3.38Å; G64-C67 PolarHBondContact O-N 3.39Å; C67-K69 PolarHBondContact O-N 2.97Å; C67-K69 VanDerWaalsContact O-N 3.13Å; C67-R70 HydrophobicContact CB-CB 3.93Å; C67-R70 WeakPolarHBondContact CB-O 3.27Å; C67-R70 VanDerWaalsContact O-CB 3.23Å; C67-R70 WeakPolarHBondContact O-CB 3.11Å; C67-R70 PolarHBondContact O-N 2.01Å; C67-P72 WeakPolarHBondContact SG-CA 3.37Å; C67-C106 WeakPolarHBondContact CA-SG 3.49Å; C67-C106 HydrophobicContact CB-CB 3.7Å; C67-C106 WeakPolarHBondContact CB-SG 3.29Å; C67-C106 WeakPolarHBondContact SG-CB 3.45Å; C67-C106 CovalentContact SG-SG 2.03Å; C67-C106 PolarHBondContact SG-SG 3.26Å
68	G	73.1	Confident	66.7	Low	56 Å²	56	79.9 Å²	79.9	58%	0.577	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	-113.5	-177.1	0	0	0	0	0	111.3	G64 I66 R70	G64-G68 WeakPolarHBondContact O-CA 3.43Å; G64-G68 PolarHBondContact O-N 3.31Å; I66-G68 VanDerWaalsContact C-N 3.35Å; G68-R70 VanDerWaalsContact C-N 3.26Å; G68-R70 PolarHBondContact O-N 3.3Å
69	K	67.5	Low	67.7	Low	202 Å²	202	79.6 Å²	79.6	88%	0.878	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.6	175.5	-64.5	-172	179.2	-178	0	113.7	C67	C67-K69 PolarHBondContact O-N 2.97Å; C67-K69 VanDerWaalsContact O-N 3.13Å
70	R	74.4	Confident	68.9	Low	29 Å²	29	77.3 Å²	77.3	11%	0.109	39%	0.393	C	S	.	.	S	Bend	trans	-84.7	157.7	176.1	-59	171.5	166.6	171.4	-9.7	109.4	C67 G68 V93 C106 S107 L110	C67-R70 HydrophobicContact CB-CB 3.93Å; C67-R70 WeakPolarHBondContact CB-O 3.27Å; C67-R70 VanDerWaalsContact O-CB 3.23Å; C67-R70 WeakPolarHBondContact O-CB 3.11Å; C67-R70 PolarHBondContact O-N 2.01Å; G68-R70 VanDerWaalsContact C-N 3.26Å; G68-R70 PolarHBondContact O-N 3.3Å; R70-V93 VanDerWaalsContact CZ-CG2 3.44Å; R70-C106 HydrophobicContact CB-CB 3.86Å; R70-S107 VanDerWaalsContact CB-O 3.24Å; R70-S107 WeakPolarHBondContact CB-O 3.48Å; R70-S107 WeakPolarHBondContact CD-O 3.37Å; R70-S107 WeakPolarHBondContact CG-O 3.07Å; R70-L110 VanDerWaalsContact NH2-CD1 3.34Å
71	K	76.9	Confident	70.4	Confident	147 Å²	147	72.9 Å²	72.9	64%	0.639	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-94.6	131.3	174.6	-62.8	-171	176.5	-169.8	0	109.9	C106 S107	K71-C106 CarbonylContact O-C 3.58Å; K71-C106 WeakPolarHBondContact O-CA 3.19Å; K71-S107 PolarHBondContact N-OG 3.25Å; K71-S107 WeakPolarHBondContact O-CB 3.45Å; K71-S107 PolarHBondContact O-N 3.07Å
72	P	80	Confident	71.5	Confident	28 Å²	28	68.5 Å²	68.5	18%	0.182	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-63.7	142.5	173.3	27.2	-33.6	0	0	0	110.8	A63 C67 I74 V79 I104	A63-P72 HydrophobicContact CB-CB 3.7Å; A63-P72 HydrophobicContact CB-CG 3.9Å; C67-P72 WeakPolarHBondContact SG-CA 3.37Å; P72-I74 PolarHBondContact O-N 3.41Å; P72-V79 HydrophobicContact CB-CG1 4.16Å; P72-I104 HydrophobicContact CB-CD1 4.18Å
73	L	77.3	Confident	72	Confident	10 Å²	10	67.6 Å²	67.6	5%	0.052	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-71.5	117.5	168.5	177.7	56.9	0	0	0	108.2	Q75 V79 Q80 P89 Y92 C105	L73-Q75 HydrophobicContact CD1-CG 3.86Å; L73-Q75 HydrophobicContact CD2-CG 4.45Å; L73-Q75 HydrophobicContact CG-CG 4.01Å; L73-V79 WeakPolarHBondContact O-CA 3.36Å; L73-Q80 HydrophobicContact CB-CB 4.06Å; L73-Q80 HydrophobicContact CD2-CB 3.73Å; L73-Q80 HydrophobicContact CD2-CG 3.84Å; L73-Q80 HydrophobicContact CG-CB 3.78Å; L73-Q80 HydrophobicContact CG-CG 4.44Å; L73-Q80 PolarHBondContact O-N 2.73Å; L73-P89 HydrophobicContact CD2-CG 3.29Å; L73-Y92 HydrophobicContact CB-CD1 3.55Å; L73-Y92 HydrophobicContact CB-CE1 3.55Å; L73-Y92 HydrophobicContact CB-CG 4.21Å; L73-Y92 HydrophobicContact CD1-CD1 4.36Å; L73-Y92 HydrophobicContact CD1-CD2 4.35Å; L73-Y92 HydrophobicContact CD1-CE1 3.85Å; L73-Y92 HydrophobicContact CD1-CE2 3.84Å; L73-Y92 HydrophobicContact CD2-CD1 4.4Å; L73-Y92 HydrophobicContact CD2-CD2 4.34Å; L73-Y92 HydrophobicContact CD2-CG 4.24Å; L73-Y92 HydrophobicContact CG-CD1 4.31Å; L73-Y92 HydrophobicContact CG-CE1 4.19Å; L73-C105 HydrophobicContact CB-CB 3.64Å; L73-C105 WeakPolarHBondContact CB-O 3.47Å; L73-C105 HydrophobicContact CD2-CB 3.75Å; L73-C105 HydrophobicContact CG-CB 4.34Å; L73-C105 PolarHBondContact N-O 2.97Å
74	I	75.6	Confident	72.1	Confident	93 Å²	93	73.9 Å²	73.9	48%	0.477	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.5	175.8	-58.4	172.5	0	0	0	107.1	P72 M78 V79	P72-I74 PolarHBondContact O-N 3.41Å; I74-M78 CarbonylContact C-O 3.57Å; I74-M78 WeakPolarHBondContact CA-O 3.35Å; I74-V79 HydrophobicContact CG1-CG2 4.43Å
75	Q	70.3	Confident	72.2	Confident	86 Å²	86	77.5 Å²	77.5	40%	0.402	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134.7	176	-71.2	-174	-48.6	0	0	108.6	L73 N77 M78	L73-Q75 HydrophobicContact CD1-CG 3.86Å; L73-Q75 HydrophobicContact CD2-CG 4.45Å; L73-Q75 HydrophobicContact CG-CG 4.01Å; Q75-N77 PolarHBondContact O-N 2.76Å; Q75-N77 VanDerWaalsContact O-N 3.17Å; Q75-M78 PolarHBondContact N-O 2.9Å; Q75-M78 PolarHBondContact O-N 3.46Å
76	N	70.8	Confident	72.4	Confident	155 Å²	155	75.8 Å²	75.8	83%	0.829	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	40.4	-177.1	-59.9	-18.5	0	0	0	113.1	M78	N76-M78 PolarHBondContact O-N 2.03Å; N76-M78 VanDerWaalsContact O-N 3.16Å
77	N	67.3	Low	72.3	Confident	158 Å²	158	78.8 Å²	78.8	85%	0.845	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	13.5	-179.4	-147	48.1	0	0	0	115.2	Q75	Q75-N77 PolarHBondContact O-N 2.76Å; Q75-N77 VanDerWaalsContact O-N 3.17Å
78	M	66.5	Low	72.4	Confident	133 Å²	133	79 Å²	79	66%	0.655	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	148.6	175.6	-65.3	-173.1	-63.8	0	0	110.5	I74 Q75 N76 Q80	I74-M78 CarbonylContact C-O 3.57Å; I74-M78 WeakPolarHBondContact CA-O 3.35Å; Q75-M78 PolarHBondContact N-O 2.9Å; Q75-M78 PolarHBondContact O-N 3.46Å; N76-M78 PolarHBondContact O-N 2.03Å; N76-M78 VanDerWaalsContact O-N 3.16Å; M78-Q80 PolarHBondContact O-N 2.83Å
79	V	74.4	Confident	72.4	Confident	20 Å²	20	78.9 Å²	78.9	12%	0.121	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126.3	174	179.4	0	0	0	0	108.4	I58 A63 P72 L73 I74 S81 I104	I58-V79 VanDerWaalsContact O-CG2 3.29Å; I58-V79 WeakPolarHBondContact O-CG2 3.32Å; A63-V79 HydrophobicContact CB-CB 4.28Å; A63-V79 HydrophobicContact CB-CG1 3.75Å; A63-V79 HydrophobicContact CB-CG2 3.62Å; P72-V79 HydrophobicContact CB-CG1 4.16Å; L73-V79 WeakPolarHBondContact O-CA 3.36Å; I74-V79 HydrophobicContact CG1-CG2 4.43Å; V79-S81 PolarHBondContact O-N 2.8Å; V79-I104 HydrophobicContact CG1-CB 3.86Å; V79-I104 HydrophobicContact CG1-CD1 3.63Å; V79-I104 HydrophobicContact CG1-CG1 4.37Å; V79-I104 HydrophobicContact CG1-CG2 3.56Å
80	Q	79.5	Confident	72.2	Confident	58 Å²	58	74 Å²	74	27%	0.271	41%	0.41	S	S	.	.			trans	-73.4	111.4	-177	-176.4	59.2	44.5	0	0	110.4	L73 M78 I104 C105	L73-Q80 HydrophobicContact CB-CB 4.06Å; L73-Q80 HydrophobicContact CD2-CB 3.73Å; L73-Q80 HydrophobicContact CD2-CG 3.84Å; L73-Q80 HydrophobicContact CG-CB 3.78Å; L73-Q80 HydrophobicContact CG-CG 4.44Å; L73-Q80 PolarHBondContact O-N 2.73Å; M78-Q80 PolarHBondContact O-N 2.83Å; Q80-I104 VanDerWaalsContact O-CA 3.3Å; Q80-I104 WeakPolarHBondContact O-CA 3.2Å; Q80-I104 WeakPolarHBondContact O-CB 3.16Å; Q80-C105 HydrophobicContact CB-CB 4.38Å; Q80-C105 HydrophobicContact CG-CB 4.47Å; Q80-C105 PolarHBondContact O-N 3.37Å
81	S	79.3	Confident	71.9	Confident	62 Å²	62	73.3 Å²	73.3	43%	0.434	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-69.5	151.2	168	-59.9	0	0	0	0	111.3	V79 S103	V79-S81 PolarHBondContact O-N 2.8Å; S81-S103 CarbonylContact C-O 3.51Å; S81-S103 VanDerWaalsContact CA-O 3.22Å; S81-S103 WeakPolarHBondContact CA-O 3.25Å
82	C	73.9	Confident	71.9	Confident	15 Å²	15	69.5 Å²	69.5	10%	0.101	39%	0.394	C	S	.	.			trans	-131.8	175.8	176.2	58.2	0	0	0	0	111.5	T86 C88 C94 S103 I104	C82-T86 CarbonylContact C-O 3.58Å; C82-T86 WeakPolarHBondContact CA-O 3.41Å; C82-T86 WeakPolarHBondContact CB-O 3.17Å; C82-C88 WeakPolarHBondContact CB-SG 2.99Å; C82-C94 HydrophobicContact CB-CB 3.74Å; C82-C94 WeakPolarHBondContact CB-SG 2.98Å; C82-C94 WeakPolarHBondContact SG-CA 3.5Å; C82-C94 WeakPolarHBondContact SG-CB 3.44Å; C82-C94 CovalentContact SG-SG 2.02Å; C82-C94 PolarHBondContact SG-SG 3.41Å; C82-S103 VanDerWaalsContact C-OG 3.27Å; C82-S103 PolarHBondContact N-O 3.41Å; C82-S103 PolarHBondContact O-OG 3.35Å; C82-S103 PolarHBondContact SG-OG 2.83Å; C82-S103 VanDerWaalsContact SG-OG 3.37Å; C82-I104 VanDerWaalsContact SG-CA 3.56Å; C82-I104 PolarHBondContact SG-N 3.2Å; C82-I104 VanDerWaalsContact SG-N 3.38Å; C82-I104 PolarHBondContact SG-O 2.89Å
83	G	70.5	Confident	71.5	Confident	10 Å²	10	68.2 Å²	68.2	10%	0.103	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	169.7	-176.3	177.8	0	0	0	0	0	111.2	S85 T86	G83-S85 PolarHBondContact O-N 3.21Å; G83-S85 VanDerWaalsContact O-N 3.16Å; G83-T86 PolarHBondContact N-O 3.47Å; G83-T86 CarbonylContact O-C 3.52Å; G83-T86 PolarHBondContact O-N 3.08Å
84	P	61.2	Low	71.6	Confident	132 Å²	132	68.7 Å²	68.7	86%	0.857	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.1	-178	-24.4	33.2	0	0	0	114
85	S	64.4	Low	71.6	Confident	107 Å²	107	65.9 Å²	65.9	75%	0.748	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-16.1	177.3	57.2	0	0	0	0	113.9	G83	G83-S85 PolarHBondContact O-N 3.21Å; G83-S85 VanDerWaalsContact O-N 3.16Å
86	T	71.5	Confident	71.6	Confident	64 Å²	64	66 Å²	66	39%	0.393	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-132.5	75.1	-170.7	-41.4	0	0	0	0	108.4	C82 G83	C82-T86 CarbonylContact C-O 3.58Å; C82-T86 WeakPolarHBondContact CA-O 3.41Å; C82-T86 WeakPolarHBondContact CB-O 3.17Å; G83-T86 PolarHBondContact N-O 3.47Å; G83-T86 CarbonylContact O-C 3.52Å; G83-T86 PolarHBondContact O-N 3.08Å
87	P	71.4	Confident	71.3	Confident	83 Å²	83	62 Å²	62	54%	0.539	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-67.9	153	-179.4	29.2	-35	0	0	0	110.5
88	C	74.3	Confident	70.6	Confident	11 Å²	11	60.1 Å²	60.1	7%	0.074	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-69.7	144.8	175.8	-67.9	0	0	0	0	111.9	C82 Y92 C105 R160	C82-C88 WeakPolarHBondContact CB-SG 2.99Å; C88-Y92 WeakPolarHBondContact CB-O 3.42Å; C88-C105 WeakPolarHBondContact CA-SG 3.45Å; C88-C105 HydrophobicContact CB-CB 3.82Å; C88-C105 WeakPolarHBondContact CB-SG 3.49Å; C88-C105 WeakPolarHBondContact SG-CA 3.17Å; C88-C105 WeakPolarHBondContact SG-CB 3.18Å; C88-C105 CovalentContact SG-SG 2.03Å; C88-C105 PolarHBondContact SG-SG 3.4Å; C88-R160 PolarHBondContact O-NH1 2.92Å
89	P	72.9	Confident	69.9	Low	54 Å²	54	61 Å²	61	35%	0.351	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-63.6	170	175.2	28.2	-34	0	0	0	111	L73 G91 Y92	L73-P89 HydrophobicContact CD2-CG 3.29Å; P89-G91 PolarHBondContact O-N 3.34Å; P89-Y92 HydrophobicContact CG-CD2 4.11Å; P89-Y92 PolarHBondContact O-N 3.1Å; P89-Y92 VanDerWaalsContact O-N 3.09Å
90	F	64.8	Low	68.8	Low	99 Å²	99	61.4 Å²	61.4	43%	0.434	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	133.3	-179.5	-178.7	-99.4	0	0	0	111.9	Y92 L128 V133	F90-Y92 VanDerWaalsContact C-N 3.34Å; F90-L128 HydrophobicContact CE2-CD1 4.02Å; F90-L128 HydrophobicContact CZ-CD1 3.58Å; F90-V133 HydrophobicContact CD1-CG2 4.31Å; F90-V133 HydrophobicContact CD2-CG2 4.5Å; F90-V133 HydrophobicContact CE1-CG2 3.48Å; F90-V133 VanDerWaalsContact CE1-CG2 3.48Å; F90-V133 HydrophobicContact CE2-CG2 3.69Å; F90-V133 HydrophobicContact CZ-CG2 3.12Å
91	G	67.8	Low	67.9	Low	14 Å²	14	67.1 Å²	67.1	14%	0.144	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	10	-176.5	0	0	0	0	0	116.2	P89 D108	P89-G91 PolarHBondContact O-N 3.34Å; G91-D108 WeakPolarHBondContact O-CB 3.06Å; G91-D108 PolarHBondContact O-N 2.89Å
92	Y	75.6	Confident	67.3	Low	68 Å²	68	65.5 Å²	65.5	27%	0.267	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.2	171.4	-64.9	-96.6	0	0	0	110.9	L73 C88 P89 F90 C105 C106 R160	L73-Y92 HydrophobicContact CB-CD1 3.55Å; L73-Y92 HydrophobicContact CB-CE1 3.55Å; L73-Y92 HydrophobicContact CB-CG 4.21Å; L73-Y92 HydrophobicContact CD1-CD1 4.36Å; L73-Y92 HydrophobicContact CD1-CD2 4.35Å; L73-Y92 HydrophobicContact CD1-CE1 3.85Å; L73-Y92 HydrophobicContact CD1-CE2 3.84Å; L73-Y92 HydrophobicContact CD2-CD1 4.4Å; L73-Y92 HydrophobicContact CD2-CD2 4.34Å; L73-Y92 HydrophobicContact CD2-CG 4.24Å; L73-Y92 HydrophobicContact CG-CD1 4.31Å; L73-Y92 HydrophobicContact CG-CE1 4.19Å; C88-Y92 WeakPolarHBondContact CB-O 3.42Å; P89-Y92 HydrophobicContact CG-CD2 4.11Å; P89-Y92 PolarHBondContact O-N 3.1Å; P89-Y92 VanDerWaalsContact O-N 3.09Å; F90-Y92 VanDerWaalsContact C-N 3.34Å; Y92-C105 HydrophobicContact CD1-CB 4.47Å; Y92-C106 CarbonylContact C-O 3.54Å; Y92-C106 VanDerWaalsContact CA-O 3.26Å; Y92-C106 WeakPolarHBondContact CA-O 3.13Å; Y92-C106 VanDerWaalsContact CD1-C 3.46Å; Y92-R160 PolarHBondContact O-NH2 3.03Å
93	V	73.1	Confident	67.3	Low	1 Å²	1	65.3 Å²	65.3	1%	0.006	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.1	178	-76.7	0	0	0	0	110.3	R70 I95 C105 C106 D108 L157 H158	R70-V93 VanDerWaalsContact CZ-CG2 3.44Å; V93-I95 HydrophobicContact CG2-CG1 4.4Å; V93-I95 PolarHBondContact O-N 3.37Å; V93-C105 WeakPolarHBondContact O-CA 3.49Å; V93-C106 WeakPolarHBondContact CG2-O 3.18Å; V93-C106 PolarHBondContact N-O 2.99Å; V93-C106 PolarHBondContact O-N 2.89Å; V93-D108 HydrophobicContact CG1-CB 4.26Å; V93-D108 HydrophobicContact CG2-CB 4.48Å; V93-L157 HydrophobicContact CG1-CG 4.29Å; V93-H158 WeakPolarHBondContact CG1-CE1 3.49Å; V93-H158 WeakPolarHBondContact CG1-ND1 3.07Å
94	C	79.5	Confident	67.7	Low	19 Å²	19	64.9 Å²	64.9	13%	0.128	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	114.7	179.8	-172.9	0	0	0	0	110	C82 S103	C82-C94 HydrophobicContact CB-CB 3.74Å; C82-C94 WeakPolarHBondContact CB-SG 2.98Å; C82-C94 WeakPolarHBondContact SG-CA 3.5Å; C82-C94 WeakPolarHBondContact SG-CB 3.44Å; C82-C94 CovalentContact SG-SG 2.02Å; C82-C94 PolarHBondContact SG-SG 3.41Å; C94-S103 PolarHBondContact SG-OG 3.38Å; C94-S103 VanDerWaalsContact SG-OG 3.36Å
95	I	75.4	Confident	68.7	Low	35 Å²	35	58.6 Å²	58.6	18%	0.179	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.7	177.4	-52.1	-175	0	0	0	108.9	I66 V93 S103 I104 C106	I66-I95 HydrophobicContact CG2-CB 4.04Å; I66-I95 HydrophobicContact CG2-CG2 3.81Å; V93-I95 HydrophobicContact CG2-CG1 4.4Å; V93-I95 PolarHBondContact O-N 3.37Å; I95-S103 CarbonylContact O-C 3.55Å; I95-S103 WeakPolarHBondContact O-CA 3.35Å; I95-S103 WeakPolarHBondContact O-CB 3.38Å; I95-I104 PolarHBondContact N-O 3.05Å; I95-I104 PolarHBondContact O-N 3.4Å; I95-C106 HydrophobicContact CD1-CB 3.49Å; I95-C106 VanDerWaalsContact CD1-CB 3.49Å; I95-C106 WeakPolarHBondContact CD1-SG 3.23Å; I95-C106 HydrophobicContact CG1-CB 3.93Å
96	T	69.4	Low	69.6	Low	87 Å²	87	53.5 Å²	53.5	53%	0.534	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	138.8	177.9	-51.8	0	0	0	0	110.4	S103	T96-S103 WeakPolarHBondContact OG1-CB 2.94Å
97	R	64.4	Low	69.7	Low	72 Å²	72	51 Å²	51	27%	0.272	29%	0.291	S	S	.	.			trans	-64.6	144.7	170.8	-76.8	-175.5	88.4	-177.3	-0.9	111.3	I66 L99 A102	I66-R97 HydrophobicContact CB-CG 4.46Å; I66-R97 HydrophobicContact CD1-CG 3.53Å; I66-R97 HydrophobicContact CG1-CG 3.46Å; I66-R97 VanDerWaalsContact CG1-CG 3.46Å; I66-R97 HydrophobicContact CG2-CG 4.25Å; R97-L99 VanDerWaalsContact C-N 3.34Å; R97-L99 PolarHBondContact O-N 3.11Å; R97-A102 WeakPolarHBondContact CG-O 3Å; R97-A102 PolarHBondContact N-O 3.04Å; R97-A102 VanDerWaalsContact N-O 3.1Å
98	P	53.2	Low	69.6	Low	119 Å²	119	47.3 Å²	47.3	77%	0.773	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-34.2	174.3	-20	30.8	0	0	0	114
99	L	52.2	Low	68.8	Low	152 Å²	152	51.5 Å²	51.5	80%	0.796	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	20.5	-173	-72.1	113.7	0	0	0	114	R97	R97-L99 VanDerWaalsContact C-N 3.34Å; R97-L99 PolarHBondContact O-N 3.11Å
100	G	51.1	Low	67.9	Low	27 Å²	27	52 Å²	52	28%	0.278	29%	0.288	S	S	.	.	S	Bend	trans	-167.4	162	176.6	0	0	0	0	0	114.3	A102	G100-A102 PolarHBondContact O-N 3.14Å
101	D	60.9	Low	67.2	Low	178 Å²	178	50 Å²	50	95%	0.952	28%	0.284	S	S	*	.	S	Bend	trans	-70.3	11.2	-179.3	-56	-43.2	0	0	0	113.6
102	A	65.9	Low	66.2	Low	28 Å²	28	57.1 Å²	57.1	23%	0.231	32%	0.319	C	S	.	.			trans	-99.8	101.9	-169.8	0	0	0	0	0	108.5	I58 R97 G100	I58-A102 HydrophobicContact CD1-CB 3.3Å; I58-A102 HydrophobicContact CG1-CB 4.03Å; R97-A102 WeakPolarHBondContact CG-O 3Å; R97-A102 PolarHBondContact N-O 3.04Å; R97-A102 VanDerWaalsContact N-O 3.1Å; G100-A102 PolarHBondContact O-N 3.14Å
103	S	74.6	Confident	64.8	Low	12 Å²	12	55.9 Å²	55.9	8%	0.084	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138	172.4	79.2	0	0	0	0	110.7	S81 C82 C94 I95 T96	S81-S103 CarbonylContact C-O 3.51Å; S81-S103 VanDerWaalsContact CA-O 3.22Å; S81-S103 WeakPolarHBondContact CA-O 3.25Å; C82-S103 VanDerWaalsContact C-OG 3.27Å; C82-S103 PolarHBondContact N-O 3.41Å; C82-S103 PolarHBondContact O-OG 3.35Å; C82-S103 PolarHBondContact SG-OG 2.83Å; C82-S103 VanDerWaalsContact SG-OG 3.37Å; C94-S103 PolarHBondContact SG-OG 3.38Å; C94-S103 VanDerWaalsContact SG-OG 3.36Å; I95-S103 CarbonylContact O-C 3.55Å; I95-S103 WeakPolarHBondContact O-CA 3.35Å; I95-S103 WeakPolarHBondContact O-CB 3.38Å; T96-S103 WeakPolarHBondContact OG1-CB 2.94Å
104	I	78	Confident	63.6	Low	0 Å²	0	60 Å²	60	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156	-176.1	56.3	162.5	0	0	0	112.4	I58 A63 I66 P72 V79 Q80 C82 I95 C106	I58-I104 HydrophobicContact CD1-CG2 3.41Å; I58-I104 VanDerWaalsContact CD1-CG2 3.41Å; I58-I104 HydrophobicContact CG1-CG2 4.35Å; A63-I104 HydrophobicContact CB-CD1 3.59Å; I66-I104 HydrophobicContact CB-CD1 3.97Å; I66-I104 HydrophobicContact CB-CG1 4.1Å; I66-I104 HydrophobicContact CD1-CD1 3.87Å; I66-I104 HydrophobicContact CD1-CG1 3.94Å; I66-I104 HydrophobicContact CG1-CD1 4.47Å; I66-I104 HydrophobicContact CG2-CD1 4.23Å; I66-I104 HydrophobicContact CG2-CG1 3.8Å; P72-I104 HydrophobicContact CB-CD1 4.18Å; V79-I104 HydrophobicContact CG1-CB 3.86Å; V79-I104 HydrophobicContact CG1-CD1 3.63Å; V79-I104 HydrophobicContact CG1-CG1 4.37Å; V79-I104 HydrophobicContact CG1-CG2 3.56Å; Q80-I104 VanDerWaalsContact O-CA 3.3Å; Q80-I104 WeakPolarHBondContact O-CA 3.2Å; Q80-I104 WeakPolarHBondContact O-CB 3.16Å; C82-I104 VanDerWaalsContact SG-CA 3.56Å; C82-I104 PolarHBondContact SG-N 3.2Å; C82-I104 VanDerWaalsContact SG-N 3.38Å; C82-I104 PolarHBondContact SG-O 2.89Å; I95-I104 PolarHBondContact N-O 3.05Å; I95-I104 PolarHBondContact O-N 3.4Å; I104-C106 PolarHBondContact O-N 3.39Å
105	C	82.6	Confident	62.3	Low	1 Å²	1	65 Å²	65	1%	0.007	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	122.5	173.6	-64.6	0	0	0	0	110.8	L73 Q80 C88 Y92 V93	L73-C105 HydrophobicContact CB-CB 3.64Å; L73-C105 WeakPolarHBondContact CB-O 3.47Å; L73-C105 HydrophobicContact CD2-CB 3.75Å; L73-C105 HydrophobicContact CG-CB 4.34Å; L73-C105 PolarHBondContact N-O 2.97Å; Q80-C105 HydrophobicContact CB-CB 4.38Å; Q80-C105 HydrophobicContact CG-CB 4.47Å; Q80-C105 PolarHBondContact O-N 3.37Å; C88-C105 WeakPolarHBondContact CA-SG 3.45Å; C88-C105 HydrophobicContact CB-CB 3.82Å; C88-C105 WeakPolarHBondContact CB-SG 3.49Å; C88-C105 WeakPolarHBondContact SG-CA 3.17Å; C88-C105 WeakPolarHBondContact SG-CB 3.18Å; C88-C105 CovalentContact SG-SG 2.03Å; C88-C105 PolarHBondContact SG-SG 3.4Å; Y92-C105 HydrophobicContact CD1-CB 4.47Å; V93-C105 WeakPolarHBondContact O-CA 3.49Å
106	C	82.7	Confident	61.4	Low	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.5	177.5	-61.6	0	0	0	0	109.7	C67 R70 K71 Y92 V93 I95 I104 D108	C67-C106 WeakPolarHBondContact CA-SG 3.49Å; C67-C106 HydrophobicContact CB-CB 3.7Å; C67-C106 WeakPolarHBondContact CB-SG 3.29Å; C67-C106 WeakPolarHBondContact SG-CB 3.45Å; C67-C106 CovalentContact SG-SG 2.03Å; C67-C106 PolarHBondContact SG-SG 3.26Å; R70-C106 HydrophobicContact CB-CB 3.86Å; K71-C106 CarbonylContact O-C 3.58Å; K71-C106 WeakPolarHBondContact O-CA 3.19Å; Y92-C106 CarbonylContact C-O 3.54Å; Y92-C106 VanDerWaalsContact CA-O 3.26Å; Y92-C106 WeakPolarHBondContact CA-O 3.13Å; Y92-C106 VanDerWaalsContact CD1-C 3.46Å; V93-C106 WeakPolarHBondContact CG2-O 3.18Å; V93-C106 PolarHBondContact N-O 2.99Å; V93-C106 PolarHBondContact O-N 2.89Å; I95-C106 HydrophobicContact CD1-CB 3.49Å; I95-C106 VanDerWaalsContact CD1-CB 3.49Å; I95-C106 WeakPolarHBondContact CD1-SG 3.23Å; I95-C106 HydrophobicContact CG1-CB 3.93Å; I104-C106 PolarHBondContact O-N 3.39Å; C106-D108 PolarHBondContact O-N 3.16Å
107	S	74.5	Confident	61.2	Low	10 Å²	10	60.1 Å²	60.1	7%	0.07	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	131.6	-177.1	67.5	0	0	0	0	110.5	R70 K71 N109	R70-S107 VanDerWaalsContact CB-O 3.24Å; R70-S107 WeakPolarHBondContact CB-O 3.48Å; R70-S107 WeakPolarHBondContact CD-O 3.37Å; R70-S107 WeakPolarHBondContact CG-O 3.07Å; K71-S107 PolarHBondContact N-OG 3.25Å; K71-S107 WeakPolarHBondContact O-CB 3.45Å; K71-S107 PolarHBondContact O-N 3.07Å; S107-N109 PolarHBondContact O-N 3.07Å; S107-N109 PolarHBondContact OG-ND2 3.42Å
108	D	68.5	Low	61.8	Low	6 Å²	6	57.1 Å²	57.1	3%	0.032	32%	0.321	C	S	.	.			trans	-81.3	71.9	175.8	-171.4	25	0	0	0	110.5	G91 V93 C106 L110 V133 P134 H158	G91-D108 WeakPolarHBondContact O-CB 3.06Å; G91-D108 PolarHBondContact O-N 2.89Å; V93-D108 HydrophobicContact CG1-CB 4.26Å; V93-D108 HydrophobicContact CG2-CB 4.48Å; C106-D108 PolarHBondContact O-N 3.16Å; D108-L110 VanDerWaalsContact C-N 3.31Å; D108-V133 HydrophobicContact CB-CG1 4.06Å; D108-P134 VanDerWaalsContact OD2-CD 3.25Å; D108-P134 WeakPolarHBondContact OD2-CD 3.21Å; D108-H158 IonicContact OD2-CE1 3.07Å; D108-H158 PolarHBondContact OD2-CE1 3.36Å; D108-H158 IonicContact OD2-ND1 3.88Å; D108-H158 IonicContact OD2-NE2 3.93Å
109	N	58.9	Low	63.3	Low	100 Å²	100	52.1 Å²	52.1	54%	0.535	29%	0.289	S	S	.	.			trans	-92.3	12.5	177.1	-83.2	-33.1	0	0	0	112.8	S107 V111	S107-N109 PolarHBondContact O-N 3.07Å; S107-N109 PolarHBondContact OG-ND2 3.42Å; N109-V111 PolarHBondContact O-N 3.31Å
110	L	53.7	Low	64.7	Low	63 Å²	63	48.3 Å²	48.3	33%	0.33	27%	0.269	S	S	.	.			trans	-99	62.8	-174.8	-63.9	-171	0	0	0	110.7	R70 D108 N112 A116	R70-L110 VanDerWaalsContact NH2-CD1 3.34Å; D108-L110 VanDerWaalsContact C-N 3.31Å; L110-N112 PolarHBondContact O-N 3.47Å; L110-A116 HydrophobicContact CB-CB 3.27Å; L110-A116 HydrophobicContact CD1-CB 3.92Å; L110-A116 HydrophobicContact CG-CB 4.25Å; L110-A116 VanDerWaalsContact O-CB 3.24Å; L110-A116 WeakPolarHBondContact O-CB 3.14Å
111	V	50.1	Low	65.8	Low	58 Å²	58	49.6 Å²	49.6	35%	0.352	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.3	178.3	-153.6	0	0	0	0	112.5	N109 I127 N132	N109-V111 PolarHBondContact O-N 3.31Å; V111-I127 HydrophobicContact CG1-CG1 4.13Å; V111-I127 HydrophobicContact CG1-CG2 3.94Å; V111-N132 HydrophobicContact CG2-CB 3.92Å
112	N	45.3	Very low	66.7	Low	163 Å²	163	43.3 Å²	43.3	87%	0.872	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.6	11.8	-166.8	-72.9	-3	0	0	0	116.3	L110	L110-N112 PolarHBondContact O-N 3.47Å
113	S	47.9	Very low	67.7	Low	43 Å²	43	43.5 Å²	43.5	30%	0.301	25%	0.245	S	C	.	.			trans	-108.7	136.9	173.2	124.3	0	0	0	0	111.4	E115 A116 N117	S113-E115 VanDerWaalsContact C-N 3.25Å; S113-E115 PolarHBondContact O-N 3.48Å; S113-E115 PolarHBondContact OG-N 2.91Å; S113-A116 WeakPolarHBondContact O-CB 3.34Å; S113-A116 PolarHBondContact O-N 2.98Å; S113-A116 WeakPolarHBondContact OG-CB 3.25Å; S113-A116 PolarHBondContact OG-N 3.09Å; S113-N117 PolarHBondContact O-N 3.37Å; S113-N117 VanDerWaalsContact O-N 3.1Å
114	Y	46.2	Very low	68.2	Low	86 Å²	86	45.7 Å²	45.7	34%	0.337	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-39.3	176.6	159.7	-104.8	0	0	0	112.1	A116 N117 P121	Y114-A116 VanDerWaalsContact C-N 3.3Å; Y114-N117 PolarHBondContact O-OD1 2.87Å; Y114-N117 VanDerWaalsContact O-OD1 3.08Å; Y114-P121 HydrophobicContact CE2-CB 4.27Å; Y114-P121 VanDerWaalsContact CZ-CA 3.47Å; Y114-P121 WeakPolarHBondContact OH-CA 3.25Å; Y114-P121 WeakPolarHBondContact OH-CB 3.23Å; Y114-P121 WeakPolarHBondContact OH-CD 2.96Å; Y114-P121 WeakPolarHBondContact OH-CG 3.24Å
115	E	52.9	Low	68.6	Low	126 Å²	126	46 Å²	46	59%	0.589	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-27.5	175	-66.6	175.5	130.3	0	0	111.9	Q27 S113 L157	Q27-E115 PolarHBondContact NE2-OE1 3.43Å; S113-E115 VanDerWaalsContact C-N 3.25Å; S113-E115 PolarHBondContact O-N 3.48Å; S113-E115 PolarHBondContact OG-N 2.91Å; E115-L157 WeakPolarHBondContact O-CD2 3.49Å
116	A	55.7	Low	68.8	Low	2 Å²	2	48.8 Å²	48.8	2%	0.017	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-28.5	-173.2	0	0	0	0	0	114.8	L110 S113 Y114 G118 L157 H158	L110-A116 HydrophobicContact CB-CB 3.27Å; L110-A116 HydrophobicContact CD1-CB 3.92Å; L110-A116 HydrophobicContact CG-CB 4.25Å; L110-A116 VanDerWaalsContact O-CB 3.24Å; L110-A116 WeakPolarHBondContact O-CB 3.14Å; S113-A116 WeakPolarHBondContact O-CB 3.34Å; S113-A116 PolarHBondContact O-N 2.98Å; S113-A116 WeakPolarHBondContact OG-CB 3.25Å; S113-A116 PolarHBondContact OG-N 3.09Å; Y114-A116 VanDerWaalsContact C-N 3.3Å; A116-G118 PolarHBondContact O-N 3.38Å; A116-L157 VanDerWaalsContact O-CD2 3.23Å; A116-L157 WeakPolarHBondContact O-CD2 3.35Å; A116-H158 PolarHBondContact O-NE2 3.27Å
117	N	67.2	Low	68.8	Low	16 Å²	16	50.9 Å²	50.9	9%	0.086	28%	0.28	C	S	.	.	S	Bend	trans	-67	-20.1	178.2	75.7	9.1	0	0	0	111.9	S113 Y114 C119 Q123 E124 A125 P134 H158 I162	S113-N117 PolarHBondContact O-N 3.37Å; S113-N117 VanDerWaalsContact O-N 3.1Å; Y114-N117 PolarHBondContact O-OD1 2.87Å; Y114-N117 VanDerWaalsContact O-OD1 3.08Å; N117-C119 VanDerWaalsContact C-N 3.34Å; N117-C119 WeakPolarHBondContact OD1-CB 3.18Å; N117-C119 PolarHBondContact OD1-N 3.11Å; N117-Q123 PolarHBondContact ND2-O 2.68Å; N117-E124 WeakPolarHBondContact ND2-CA 3.23Å; N117-A125 HydrophobicContact CB-CB 3.86Å; N117-P134 WeakPolarHBondContact O-CG 3.26Å; N117-H158 PolarHBondContact O-NE2 2.84Å; N117-I162 WeakPolarHBondContact O-CD1 3.3Å
118	G	75.9	Confident	68.8	Low	10 Å²	10	53 Å²	53	10%	0.103	29%	0.29	C	S	.	.			trans	80.5	8.1	175.6	0	0	0	0	0	115.2	A116 S155	A116-G118 PolarHBondContact O-N 3.38Å; G118-S155 WeakPolarHBondContact CA-OG 3.44Å; G118-S155 WeakPolarHBondContact O-CB 3.43Å; G118-S155 PolarHBondContact O-OG 2.91Å
119	C	83.9	Confident	68.9	Low	14 Å²	14	58 Å²	58	10%	0.095	32%	0.323	C	S	.	.			trans	-91.4	175.3	176.3	-63.1	0	0	0	0	112.2	N117 Q123 A125 C164	N117-C119 VanDerWaalsContact C-N 3.34Å; N117-C119 WeakPolarHBondContact OD1-CB 3.18Å; N117-C119 PolarHBondContact OD1-N 3.11Å; C119-Q123 HydrophobicContact CB-CB 3.77Å; C119-A125 VanDerWaalsContact SG-CA 3.52Å; C119-A125 PolarHBondContact SG-N 2.94Å; C119-C164 VanDerWaalsContact CA-SG 3.55Å; C119-C164 HydrophobicContact CB-CB 3.77Å; C119-C164 WeakPolarHBondContact CB-SG 3.29Å; C119-C164 WeakPolarHBondContact SG-CB 3.24Å; C119-C164 CovalentContact SG-SG 2.03Å; C119-C164 PolarHBondContact SG-SG 2.97Å
120	L	81.9	Confident	69.4	Low	72 Å²	72	63.3 Å²	63.3	38%	0.377	34%	0.341	S	S	.	.			trans	-75.9	165.4	176.6	-77.9	170	0	0	0	111.4	G122 Q123 Q153	L120-G122 PolarHBondContact O-N 3.13Å; L120-Q123 HydrophobicContact CB-CG 4.41Å; L120-Q123 VanDerWaalsContact N-OE1 3.08Å; L120-Q123 VanDerWaalsContact O-CB 3.29Å; L120-Q123 WeakPolarHBondContact O-CB 3.33Å; L120-Q123 PolarHBondContact O-N 2.96Å; L120-Q153 VanDerWaalsContact CG-NE2 3.26Å
121	P	75.5	Confident	70	Confident	53 Å²	53	62.4 Å²	62.4	34%	0.344	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	135.9	173.2	-17.9	20.5	0	0	0	113.4	Y28 Y114 Q123	Y28-P121 HydrophobicContact CD1-CG 4.3Å; Y28-P121 HydrophobicContact CE1-CG 3.49Å; Y28-P121 VanDerWaalsContact CE1-CG 3.49Å; Y114-P121 HydrophobicContact CE2-CB 4.27Å; Y114-P121 VanDerWaalsContact CZ-CA 3.47Å; Y114-P121 WeakPolarHBondContact OH-CA 3.25Å; Y114-P121 WeakPolarHBondContact OH-CB 3.23Å; Y114-P121 WeakPolarHBondContact OH-CD 2.96Å; Y114-P121 WeakPolarHBondContact OH-CG 3.24Å; P121-Q123 PolarHBondContact O-N 3.16Å
122	G	78.7	Confident	70.7	Confident	46 Å²	46	63.9 Å²	63.9	47%	0.474	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	6.1	-179.7	0	0	0	0	0	114.1	L120 K167	L120-G122 PolarHBondContact O-N 3.13Å; G122-K167 WeakPolarHBondContact O-CG 3.27Å; G122-K167 PolarHBondContact O-N 3Å
123	Q	86.4	Confident	71.9	Confident	32 Å²	32	56.4 Å²	56.4	15%	0.15	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	158.9	173.5	-61.1	177.7	-18	0	0	112.7	N117 C119 L120 P121 C164 R165 K167	N117-Q123 PolarHBondContact ND2-O 2.68Å; C119-Q123 HydrophobicContact CB-CB 3.77Å; L120-Q123 HydrophobicContact CB-CG 4.41Å; L120-Q123 VanDerWaalsContact N-OE1 3.08Å; L120-Q123 VanDerWaalsContact O-CB 3.29Å; L120-Q123 WeakPolarHBondContact O-CB 3.33Å; L120-Q123 PolarHBondContact O-N 2.96Å; P121-Q123 PolarHBondContact O-N 3.16Å; Q123-C164 HydrophobicContact CB-CB 4.46Å; Q123-R165 CarbonylContact C-O 3.43Å; Q123-R165 WeakPolarHBondContact CA-O 3.44Å; Q123-R165 VanDerWaalsContact CB-O 3.22Å; Q123-R165 WeakPolarHBondContact CB-O 3.43Å; Q123-K167 WeakPolarHBondContact O-CE 3.48Å
124	E	85.2	Confident	73.5	Confident	59 Å²	59	54.8 Å²	54.8	28%	0.276	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.1	169.8	61.9	-178.6	165.6	0	0	111.4	N117 C164 R165 K167	N117-E124 WeakPolarHBondContact ND2-CA 3.23Å; E124-C164 CarbonylContact O-C 3.42Å; E124-C164 WeakPolarHBondContact O-CA 3.43Å; E124-R165 HydrophobicContact CG-CG 3.75Å; E124-R165 PolarHBondContact N-O 2.91Å; E124-R165 PolarHBondContact O-N 2.9Å; E124-R165 IonicContact OE1-CZ 3.2Å; E124-R165 IonicContact OE1-NE 2.76Å; E124-R165 PolarHBondContact OE1-NE 2.99Å; E124-R165 IonicContact OE1-NH2 2.77Å; E124-R165 PolarHBondContact OE1-NH2 3.18Å; E124-K167 HydrophobicContact CB-CG 4.02Å; E124-K167 HydrophobicContact CG-CG 4.15Å
125	A	86.3	Confident	75.3	Confident	7 Å²	7	51.1 Å²	51.1	6%	0.058	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	145.2	175	0	0	0	0	0	110.7	N117 C119 I127 P134 I162 C163	N117-A125 HydrophobicContact CB-CB 3.86Å; C119-A125 VanDerWaalsContact SG-CA 3.52Å; C119-A125 PolarHBondContact SG-N 2.94Å; A125-I127 HydrophobicContact CB-CD1 3.88Å; A125-I127 PolarHBondContact O-N 3.36Å; A125-I127 VanDerWaalsContact O-N 3.17Å; A125-P134 HydrophobicContact CB-CB 3.93Å; A125-P134 HydrophobicContact CB-CG 4.04Å; A125-I162 HydrophobicContact CB-CD1 4.41Å; A125-C163 CarbonylContact C-O 3.56Å; A125-C163 VanDerWaalsContact CA-O 3.26Å; A125-C163 WeakPolarHBondContact CA-O 3.41Å
126	F	87	Confident	76.9	Confident	59 Å²	59	48.8 Å²	48.8	26%	0.259	27%	0.271	S	S	.	.			trans	-71.8	107.1	166.5	-176.4	-117.2	0	0	0	108.3	L128 P134 A135 P147 Y150 C163	F126-L128 HydrophobicContact CE1-CD2 4.14Å; F126-P134 CarbonylContact O-C 3.59Å; F126-P134 WeakPolarHBondContact O-CA 3.24Å; F126-A135 HydrophobicContact CB-CB 4.3Å; F126-A135 HydrophobicContact CD1-CB 3.52Å; F126-A135 HydrophobicContact CE1-CB 4.35Å; F126-A135 HydrophobicContact CG-CB 4.38Å; F126-A135 WeakPolarHBondContact O-CB 3.36Å; F126-A135 PolarHBondContact O-N 2.9Å; F126-P147 HydrophobicContact CB-CG 4.38Å; F126-P147 HydrophobicContact CD1-CG 3.67Å; F126-P147 HydrophobicContact CD2-CG 3.76Å; F126-P147 HydrophobicContact CE1-CG 3.83Å; F126-P147 HydrophobicContact CE2-CG 3.88Å; F126-P147 HydrophobicContact CG-CG 3.67Å; F126-P147 HydrophobicContact CZ-CG 3.93Å; F126-Y150 VanDerWaalsContact CA-CE1 3.46Å; F126-Y150 HydrophobicContact CB-CD1 3.56Å; F126-Y150 HydrophobicContact CB-CD2 4.38Å; F126-Y150 HydrophobicContact CB-CE1 3.45Å; F126-Y150 VanDerWaalsContact CB-CE1 3.45Å; F126-Y150 HydrophobicContact CB-CE2 4.26Å; F126-Y150 HydrophobicContact CB-CG 4.03Å; F126-Y150 HydrophobicContact CD2-CD2 4.32Å; F126-Y150 HydrophobicContact CD2-CE1 4.25Å; F126-Y150 AromaticContact CD2-CE2 3.72Å; F126-Y150 HydrophobicContact CD2-CE2 3.72Å; F126-Y150 AromaticContact CD2-CZ 3.68Å; F126-Y150 HydrophobicContact CG-CE1 4.33Å; F126-Y150 HydrophobicContact CG-CE2 4.33Å; F126-Y150 VanDerWaalsContact N-CE1 3.3Å; F126-C163 HydrophobicContact CB-CB 3.84Å; F126-C163 PolarHBondContact N-O 2.89Å
127	I	82.6	Confident	78.5	Confident	43 Å²	43	48.7 Å²	48.7	22%	0.221	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-87.4	127.6	-179.4	-56.5	-53.5	0	0	0	109.5	V111 A125 P129 N132 P134	V111-I127 HydrophobicContact CG1-CG1 4.13Å; V111-I127 HydrophobicContact CG1-CG2 3.94Å; A125-I127 HydrophobicContact CB-CD1 3.88Å; A125-I127 PolarHBondContact O-N 3.36Å; A125-I127 VanDerWaalsContact O-N 3.17Å; I127-P129 WeakPolarHBondContact O-CD 3.26Å; I127-N132 VanDerWaalsContact CG2-C 3.43Å; I127-P134 HydrophobicContact CD1-CB 4.42Å; I127-P134 HydrophobicContact CD1-CG 3.94Å
128	L	75.5	Confident	79.3	Confident	55 Å²	55	51 Å²	51	29%	0.288	28%	0.283	S	S	.	.			trans	-70.9	122.5	177.2	-72.3	166.8	0	0	0	110	F90 F126 K130 S131 N132 V133 A135	F90-L128 HydrophobicContact CE2-CD1 4.02Å; F90-L128 HydrophobicContact CZ-CD1 3.58Å; F126-L128 HydrophobicContact CE1-CD2 4.14Å; L128-K130 PolarHBondContact O-N 2.02Å; L128-K130 VanDerWaalsContact O-N 3.07Å; L128-S131 WeakPolarHBondContact CB-OG 3.47Å; L128-S131 PolarHBondContact O-N 3.43Å; L128-S131 VanDerWaalsContact O-N 3.16Å; L128-N132 PolarHBondContact O-N 3.38Å; L128-V133 PolarHBondContact N-O 3.37Å; L128-A135 HydrophobicContact CD1-CB 4.14Å; L128-A135 HydrophobicContact CD2-CB 4.07Å; L128-A135 HydrophobicContact CG-CB 3.85Å
129	P	71.3	Confident	79.4	Confident	110 Å²	110	55.2 Å²	55.2	71%	0.714	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.6	-172.7	-25.4	32.2	0	0	0	114.5	I127	I127-P129 WeakPolarHBondContact O-CD 3.26Å
130	K	67.7	Low	78.9	Confident	212 Å²	212	62.4 Å²	62.4	92%	0.922	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-28.6	-176.4	-66.4	-174	178.7	-178	0	113.3	L128	L128-K130 PolarHBondContact O-N 2.02Å; L128-K130 VanDerWaalsContact O-N 3.07Å
131	S	66.2	Low	78.1	Confident	45 Å²	45	59.8 Å²	59.8	32%	0.315	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-10.9	-170.2	53.2	0	0	0	0	113.5	L128 V133	L128-S131 WeakPolarHBondContact CB-OG 3.47Å; L128-S131 PolarHBondContact O-N 3.43Å; L128-S131 VanDerWaalsContact O-N 3.16Å; S131-V133 WeakPolarHBondContact O-CG1 3.11Å; S131-V133 PolarHBondContact O-N 2.03Å; S131-V133 VanDerWaalsContact OG-CG2 3.25Å; S131-V133 WeakPolarHBondContact OG-CG2 3.35Å
132	N	66	Low	78	Confident	88 Å²	88	63.2 Å²	63.2	47%	0.471	35%	0.351	S	S	.	.	S	Bend	trans	57.3	28	-177.9	-67.2	-52.8	0	0	0	114.1	V111 I127 L128	V111-N132 HydrophobicContact CG2-CB 3.92Å; I127-N132 VanDerWaalsContact CG2-C 3.43Å; L128-N132 PolarHBondContact O-N 3.38Å
133	V	69.9	Low	77.9	Confident	7 Å²	7	64.6 Å²	64.6	4%	0.042	35%	0.353	C	S	.	.	S	Bend	trans	-126.2	154.6	-178.6	-61.2	0	0	0	0	110.3	F90 D108 L128 S131 A135	F90-V133 HydrophobicContact CD1-CG2 4.31Å; F90-V133 HydrophobicContact CD2-CG2 4.5Å; F90-V133 HydrophobicContact CE1-CG2 3.48Å; F90-V133 VanDerWaalsContact CE1-CG2 3.48Å; F90-V133 HydrophobicContact CE2-CG2 3.69Å; F90-V133 HydrophobicContact CZ-CG2 3.12Å; D108-V133 HydrophobicContact CB-CG1 4.06Å; L128-V133 PolarHBondContact N-O 3.37Å; S131-V133 WeakPolarHBondContact O-CG1 3.11Å; S131-V133 PolarHBondContact O-N 2.03Å; S131-V133 VanDerWaalsContact OG-CG2 3.25Å; S131-V133 WeakPolarHBondContact OG-CG2 3.35Å; V133-A135 PolarHBondContact O-N 3.45Å
134	P	81	Confident	77.7	Confident	9 Å²	9	67.6 Å²	67.6	6%	0.058	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-55.2	135.5	177.4	-28	37.2	0	0	0	112.6	D108 N117 A125 F126 I127 Q136 I162	D108-P134 VanDerWaalsContact OD2-CD 3.25Å; D108-P134 WeakPolarHBondContact OD2-CD 3.21Å; N117-P134 WeakPolarHBondContact O-CG 3.26Å; A125-P134 HydrophobicContact CB-CB 3.93Å; A125-P134 HydrophobicContact CB-CG 4.04Å; F126-P134 CarbonylContact O-C 3.59Å; F126-P134 WeakPolarHBondContact O-CA 3.24Å; I127-P134 HydrophobicContact CD1-CB 4.42Å; I127-P134 HydrophobicContact CD1-CG 3.94Å; P134-Q136 PolarHBondContact O-N 3.1Å; P134-I162 HydrophobicContact CB-CB 4.19Å; P134-I162 HydrophobicContact CB-CD1 4.03Å; P134-I162 HydrophobicContact CB-CG2 4.06Å
135	A	85.5	Confident	77.9	Confident	8 Å²	8	73.3 Å²	73.3	7%	0.066	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-67.1	124.4	173.5	0	0	0	0	0	109.9	F126 L128 V133 I162 C163	F126-A135 HydrophobicContact CB-CB 4.3Å; F126-A135 HydrophobicContact CD1-CB 3.52Å; F126-A135 HydrophobicContact CE1-CB 4.35Å; F126-A135 HydrophobicContact CG-CB 4.38Å; F126-A135 WeakPolarHBondContact O-CB 3.36Å; F126-A135 PolarHBondContact O-N 2.9Å; L128-A135 HydrophobicContact CD1-CB 4.14Å; L128-A135 HydrophobicContact CD2-CB 4.07Å; L128-A135 HydrophobicContact CG-CB 3.85Å; V133-A135 PolarHBondContact O-N 3.45Å; A135-I162 CarbonylContact O-C 3.55Å; A135-I162 WeakPolarHBondContact O-CA 3.22Å; A135-I162 WeakPolarHBondContact O-CB 3.41Å; A135-C163 HydrophobicContact CB-CB 4.33Å; A135-C163 PolarHBondContact O-N 3.48Å
136	Q	85.8	Confident	78.1	Confident	77 Å²	77	74.3 Å²	74.3	36%	0.36	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-72.8	146.3	171.5	178.7	173.3	-27.2	0	0	109.9	P134 Y161	P134-Q136 PolarHBondContact O-N 3.1Å; Q136-Y161 WeakPolarHBondContact CA-O 3.42Å; Q136-Y161 WeakPolarHBondContact CG-O 3.46Å
137	C	88.4	Confident	78.3	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.007	40%	0.397	C	S	.	.			trans	-134.5	158.1	170.9	58.4	0	0	0	0	112.9	N144 C146 C152 Y161 I162	C137-N144 WeakPolarHBondContact CA-O 3.49Å; C137-N144 VanDerWaalsContact CB-O 3.27Å; C137-N144 WeakPolarHBondContact CB-O 3.02Å; C137-C146 WeakPolarHBondContact CB-SG 3.43Å; C137-C146 VanDerWaalsContact SG-SG 3.6Å; C137-C152 HydrophobicContact CB-CB 3.87Å; C137-C152 WeakPolarHBondContact CB-SG 3.04Å; C137-C152 WeakPolarHBondContact SG-CA 3.23Å; C137-C152 WeakPolarHBondContact SG-CB 3.2Å; C137-C152 CovalentContact SG-SG 2.03Å; C137-C152 PolarHBondContact SG-SG 3.13Å; C137-Y161 PolarHBondContact N-O 3.12Å; C137-Y161 WeakPolarHBondContact O-CB 3.2Å; C137-I162 PolarHBondContact SG-O 3.03Å; C137-I162 VanDerWaalsContact SG-O 3.39Å
138	D	85.5	Confident	78.6	Confident	64 Å²	64	81 Å²	81	34%	0.342	43%	0.431	S	S	.	.			trans	-110.6	125.1	175.2	-63.3	-46.6	0	0	0	108.5	N140 G141 N144	D138-N140 PolarHBondContact O-N 2.93Å; D138-N140 VanDerWaalsContact O-N 3.11Å; D138-G141 PolarHBondContact O-N 3.42Å; D138-N144 PolarHBondContact N-O 2.87Å; D138-N144 PolarHBondContact OD2-ND2 3.48Å; D138-N144 VanDerWaalsContact OD2-ND2 3.11Å
139	L	77.1	Confident	79.3	Confident	99 Å²	99	81 Å²	81	52%	0.518	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-38.8	-176.1	-77.3	179.4	0	0	0	113.2	C152 Y161	L139-C152 HydrophobicContact CD2-CB 4.4Å; L139-Y161 HydrophobicContact CD1-CD1 4.23Å; L139-Y161 HydrophobicContact CD1-CE1 3.5Å; L139-Y161 VanDerWaalsContact CD1-CE1 3.5Å; L139-Y161 HydrophobicContact CD1-CE2 4Å; L139-Y161 WeakPolarHBondContact CD1-OH 3.15Å; L139-Y161 HydrophobicContact CD2-CD1 3.72Å; L139-Y161 HydrophobicContact CD2-CE1 3.6Å; L139-Y161 HydrophobicContact CG-CD1 3.74Å; L139-Y161 HydrophobicContact CG-CD2 4.4Å; L139-Y161 HydrophobicContact CG-CE1 3.53Å; L139-Y161 HydrophobicContact CG-CE2 4.22Å; L139-Y161 HydrophobicContact CG-CG 4.19Å
140	N	74	Confident	80.3	Confident	164 Å²	164	77.3 Å²	77.3	88%	0.877	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	17.3	-177.8	-68.7	-26.6	0	0	0	112.5	D138	D138-N140 PolarHBondContact O-N 2.93Å; D138-N140 VanDerWaalsContact O-N 3.11Å
141	G	65.2	Low	81.4	Confident	17 Å²	17	73.3 Å²	73.3	18%	0.175	40%	0.404	C	S	.	.			trans	-73.6	143.1	-177.5	0	0	0	0	0	112.7	D138 R145	D138-G141 PolarHBondContact O-N 3.42Å; G141-R145 PolarHBondContact O-NE 2.86Å; G141-R145 PolarHBondContact O-NH2 2.78Å
142	T	72.4	Confident	82.6	Confident	126 Å²	126	73 Å²	73	77%	0.773	40%	0.402	S	S	*	.	S	Bend	trans	-72.9	-21.1	159.5	47.7	0	0	0	0	111.8
143	S	77.3	Confident	83.7	Confident	74 Å²	74	70.6 Å²	70.6	52%	0.517	39%	0.387	S	S	.	.	S	Bend	trans	-111	161.3	178.5	-56	0	0	0	0	110.3	R145	S143-R145 PolarHBondContact O-N 2.73Å
144	N	82.6	Confident	84.3	Confident	96 Å²	96	75.9 Å²	75.9	51%	0.513	41%	0.407	S	S	.	.	S	Bend	trans	55.1	49.5	179.5	-51	-42.7	0	0	0	113.5	C137 D138	C137-N144 WeakPolarHBondContact CA-O 3.49Å; C137-N144 VanDerWaalsContact CB-O 3.27Å; C137-N144 WeakPolarHBondContact CB-O 3.02Å; D138-N144 PolarHBondContact N-O 2.87Å; D138-N144 PolarHBondContact OD2-ND2 3.48Å; D138-N144 VanDerWaalsContact OD2-ND2 3.11Å
145	R	87.8	Confident	84.1	Confident	178 Å²	178	75.5 Å²	75.5	67%	0.672	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-84.4	149.2	173.1	-67.4	-179.3	179.3	-177	-1.1	110.4	G141 S143	G141-R145 PolarHBondContact O-NE 2.86Å; G141-R145 PolarHBondContact O-NH2 2.78Å; S143-R145 PolarHBondContact O-N 2.73Å
146	C	91.2	Very high	83.3	Confident	28 Å²	28	77.5 Å²	77.5	19%	0.189	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-66.3	142.1	172.8	-62.8	0	0	0	0	111	C137 Y150 C163	C137-C146 WeakPolarHBondContact CB-SG 3.43Å; C137-C146 VanDerWaalsContact SG-SG 3.6Å; C146-Y150 WeakPolarHBondContact CB-O 2.98Å; C146-C163 WeakPolarHBondContact CA-SG 3.5Å; C146-C163 HydrophobicContact CB-CB 3.74Å; C146-C163 WeakPolarHBondContact CB-SG 3.32Å; C146-C163 WeakPolarHBondContact SG-CA 2.98Å; C146-C163 WeakPolarHBondContact SG-CB 3.31Å; C146-C163 CovalentContact SG-SG 2.04Å; C146-C163 PolarHBondContact SG-SG 3.17Å
147	P	90.6	Very high	82.5	Confident	47 Å²	47	76.4 Å²	76.4	31%	0.305	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-64	165.5	172.6	28.4	-33.5	0	0	0	110.4	F126 G149 Y150	F126-P147 HydrophobicContact CB-CG 4.38Å; F126-P147 HydrophobicContact CD1-CG 3.67Å; F126-P147 HydrophobicContact CD2-CG 3.76Å; F126-P147 HydrophobicContact CE1-CG 3.83Å; F126-P147 HydrophobicContact CE2-CG 3.88Å; F126-P147 HydrophobicContact CG-CG 3.67Å; F126-P147 HydrophobicContact CZ-CG 3.93Å; P147-G149 PolarHBondContact O-N 2.94Å; P147-Y150 HydrophobicContact CG-CD2 3.7Å; P147-Y150 HydrophobicContact CG-CE2 4.26Å; P147-Y150 HydrophobicContact CG-CG 4.2Å; P147-Y150 PolarHBondContact O-N 3.48Å
148	E	89.9	Confident	81.7	Confident	197 Å²	197	76.8 Å²	76.8	92%	0.921	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	136.2	-179.5	-162.4	-175.5	125.6	0	0	111.8	Y150	E148-Y150 VanDerWaalsContact C-N 3.29Å; E148-Y150 PolarHBondContact O-N 2.03Å
149	G	90.4	Very high	80.9	Confident	55 Å²	55	76.9 Å²	76.9	57%	0.567	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-7.4	-176.5	0	0	0	0	0	115.2	P147 R165	P147-G149 PolarHBondContact O-N 2.94Å; G149-R165 WeakPolarHBondContact O-CB 3.34Å
150	Y	92.6	Very high	80.9	Confident	32 Å²	32	73.9 Å²	73.9	13%	0.125	40%	0.404	C	S	.	.			trans	-106.1	142	173.4	-68.8	-100.4	0	0	0	111.3	F126 C146 P147 E148 C163 R165	F126-Y150 VanDerWaalsContact CA-CE1 3.46Å; F126-Y150 HydrophobicContact CB-CD1 3.56Å; F126-Y150 HydrophobicContact CB-CD2 4.38Å; F126-Y150 HydrophobicContact CB-CE1 3.45Å; F126-Y150 VanDerWaalsContact CB-CE1 3.45Å; F126-Y150 HydrophobicContact CB-CE2 4.26Å; F126-Y150 HydrophobicContact CB-CG 4.03Å; F126-Y150 HydrophobicContact CD2-CD2 4.32Å; F126-Y150 HydrophobicContact CD2-CE1 4.25Å; F126-Y150 AromaticContact CD2-CE2 3.72Å; F126-Y150 HydrophobicContact CD2-CE2 3.72Å; F126-Y150 AromaticContact CD2-CZ 3.68Å; F126-Y150 HydrophobicContact CG-CE1 4.33Å; F126-Y150 HydrophobicContact CG-CE2 4.33Å; F126-Y150 VanDerWaalsContact N-CE1 3.3Å; C146-Y150 WeakPolarHBondContact CB-O 2.98Å; P147-Y150 HydrophobicContact CG-CD2 3.7Å; P147-Y150 HydrophobicContact CG-CE2 4.26Å; P147-Y150 HydrophobicContact CG-CG 4.2Å; P147-Y150 PolarHBondContact O-N 3.48Å; E148-Y150 VanDerWaalsContact C-N 3.29Å; E148-Y150 PolarHBondContact O-N 2.03Å; Y150-C163 HydrophobicContact CD1-CB 4.4Å; Y150-R165 HydrophobicContact CD1-CB 3.65Å; Y150-R165 HydrophobicContact CD1-CG 3.79Å; Y150-R165 HydrophobicContact CD2-CB 4.45Å; Y150-R165 HydrophobicContact CE1-CB 3.9Å; Y150-R165 HydrophobicContact CE1-CG 3.45Å; Y150-R165 VanDerWaalsContact CE1-CG 3.45Å; Y150-R165 HydrophobicContact CE2-CG 4.3Å; Y150-R165 HydrophobicContact CG-CB 3.97Å; Y150-R165 HydrophobicContact CG-CG 4.34Å; Y150-R165 VanDerWaalsContact CZ-CD 3.43Å; Y150-R165 PolarHBondContact OH-NE 3.07Å
151	L	91	Very high	81.5	Confident	127 Å²	127	70.2 Å²	70.2	67%	0.665	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	143.7	176.7	-63.7	175.7	0	0	0	110.3	Q153 C164	L151-Q153 PolarHBondContact O-N 3.23Å; L151-C164 PolarHBondContact N-O 3.38Å; L151-C164 PolarHBondContact O-N 2.9Å
152	C	91.5	Very high	82.5	Confident	40 Å²	40	69.4 Å²	69.4	27%	0.27	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.1	178	-168.6	0	0	0	0	110.2	C137 L139	C137-C152 HydrophobicContact CB-CB 3.87Å; C137-C152 WeakPolarHBondContact CB-SG 3.04Å; C137-C152 WeakPolarHBondContact SG-CA 3.23Å; C137-C152 WeakPolarHBondContact SG-CB 3.2Å; C137-C152 CovalentContact SG-SG 2.03Å; C137-C152 PolarHBondContact SG-SG 3.13Å; L139-C152 HydrophobicContact CD2-CB 4.4Å
153	Q	87.1	Confident	83.4	Confident	36 Å²	36	63.5 Å²	63.5	17%	0.168	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.6	-172.7	-168.6	177.9	-74.6	0	0	111.1	L120 L151 S155 Y161 I162 C164	L120-Q153 VanDerWaalsContact CG-NE2 3.26Å; L151-Q153 PolarHBondContact O-N 3.23Å; Q153-S155 PolarHBondContact O-N 2.85Å; Q153-Y161 CarbonylContact O-C 3.54Å; Q153-Y161 WeakPolarHBondContact O-CA 3.48Å; Q153-I162 PolarHBondContact N-O 2.82Å; Q153-I162 PolarHBondContact O-N 3.28Å; Q153-C164 HydrophobicContact CB-CB 4.29Å
154	Y	83.1	Confident	84.1	Confident	119 Å²	119	60 Å²	60	47%	0.467	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	128.3	175.2	-172.7	-103.3	0	0	0	110.5	Y161	Y154-Y161 HydrophobicContact CD2-CD2 4.09Å; Y154-Y161 HydrophobicContact CD2-CE1 4.33Å; Y154-Y161 AromaticContact CD2-CE2 3.88Å; Y154-Y161 HydrophobicContact CD2-CE2 3.88Å; Y154-Y161 HydrophobicContact CD2-CG 4.4Å; Y154-Y161 AromaticContact CD2-CZ 3.99Å; Y154-Y161 HydrophobicContact CG-CE1 4.48Å
155	S	77.1	Confident	84.5	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.5	171.1	-177.5	0	0	0	0	110.2	G118 Q153 L157 H158 Q159 R160	G118-S155 WeakPolarHBondContact CA-OG 3.44Å; G118-S155 WeakPolarHBondContact O-CB 3.43Å; G118-S155 PolarHBondContact O-OG 2.91Å; Q153-S155 PolarHBondContact O-N 2.85Å; S155-L157 PolarHBondContact O-N 2.87Å; S155-L157 PolarHBondContact OG-N 3.18Å; S155-H158 PolarHBondContact O-N 3.47Å; S155-H158 PolarHBondContact OG-CD2 3.44Å; S155-H158 VanDerWaalsContact OG-CD2 3.31Å; S155-H158 PolarHBondContact OG-N 2.91Å; S155-Q159 VanDerWaalsContact O-CA 3.29Å; S155-Q159 WeakPolarHBondContact O-CA 3.15Å; S155-Q159 PolarHBondContact O-N 3.06Å; S155-R160 PolarHBondContact N-O 3.45Å; S155-R160 PolarHBondContact O-N 3.35Å
156	G	68.2	Low	84.5	Confident	49 Å²	49	55.4 Å²	55.4	51%	0.505	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-28.8	171.7	0	0	0	0	0	112.9
157	L	69.2	Low	84.1	Confident	54 Å²	54	58.9 Å²	58.9	28%	0.283	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-45.6	176.9	177.3	65.3	0	0	0	111.5	V93 E115 A116 S155	V93-L157 HydrophobicContact CG1-CG 4.29Å; E115-L157 WeakPolarHBondContact O-CD2 3.49Å; A116-L157 VanDerWaalsContact O-CD2 3.23Å; A116-L157 WeakPolarHBondContact O-CD2 3.35Å; S155-L157 PolarHBondContact O-N 2.87Å; S155-L157 PolarHBondContact OG-N 3.18Å
158	H	71	Confident	83.3	Confident	10 Å²	10	60.9 Å²	60.9	5%	0.046	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-7.1	-177.9	-63.2	-69.8	0	0	0	113.3	V93 D108 A116 N117 S155 R160	V93-H158 WeakPolarHBondContact CG1-CE1 3.49Å; V93-H158 WeakPolarHBondContact CG1-ND1 3.07Å; D108-H158 IonicContact OD2-CE1 3.07Å; D108-H158 PolarHBondContact OD2-CE1 3.36Å; D108-H158 IonicContact OD2-ND1 3.88Å; D108-H158 IonicContact OD2-NE2 3.93Å; A116-H158 PolarHBondContact O-NE2 3.27Å; N117-H158 PolarHBondContact O-NE2 2.84Å; S155-H158 PolarHBondContact O-N 3.47Å; S155-H158 PolarHBondContact OG-CD2 3.44Å; S155-H158 VanDerWaalsContact OG-CD2 3.31Å; S155-H158 PolarHBondContact OG-N 2.91Å; H158-R160 HydrophobicContact CB-CG 3.78Å; H158-R160 WeakPolarHBondContact O-CG 3.23Å; H158-R160 PolarHBondContact O-N 3.09Å; H158-R160 VanDerWaalsContact O-N 3.14Å
159	Q	69.9	Low	81.7	Confident	65 Å²	65	63.9 Å²	63.9	30%	0.304	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	30.3	-173.2	-60.7	-179.1	-1.1	0	0	113.6	S155	S155-Q159 VanDerWaalsContact O-CA 3.29Å; S155-Q159 WeakPolarHBondContact O-CA 3.15Å; S155-Q159 PolarHBondContact O-N 3.06Å
160	R	76.5	Confident	81.3	Confident	36 Å²	36	64.4 Å²	64.4	14%	0.136	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	165.8	-178.5	64.9	-171.3	149.8	-139.4	-16.3	110.6	C88 Y92 S155 H158 I162	C88-R160 PolarHBondContact O-NH1 2.92Å; Y92-R160 PolarHBondContact O-NH2 3.03Å; S155-R160 PolarHBondContact N-O 3.45Å; S155-R160 PolarHBondContact O-N 3.35Å; H158-R160 HydrophobicContact CB-CG 3.78Å; H158-R160 WeakPolarHBondContact O-CG 3.23Å; H158-R160 PolarHBondContact O-N 3.09Å; H158-R160 VanDerWaalsContact O-N 3.14Å; R160-I162 HydrophobicContact CG-CG2 4.07Å
161	Y	86.9	Confident	80.7	Confident	88 Å²	88	66.1 Å²	66.1	35%	0.345	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.9	173.1	-73	-87	0	0	0	110.4	Q136 C137 L139 Q153 Y154	Q136-Y161 WeakPolarHBondContact CA-O 3.42Å; Q136-Y161 WeakPolarHBondContact CG-O 3.46Å; C137-Y161 PolarHBondContact N-O 3.12Å; C137-Y161 WeakPolarHBondContact O-CB 3.2Å; L139-Y161 HydrophobicContact CD1-CD1 4.23Å; L139-Y161 HydrophobicContact CD1-CE1 3.5Å; L139-Y161 VanDerWaalsContact CD1-CE1 3.5Å; L139-Y161 HydrophobicContact CD1-CE2 4Å; L139-Y161 WeakPolarHBondContact CD1-OH 3.15Å; L139-Y161 HydrophobicContact CD2-CD1 3.72Å; L139-Y161 HydrophobicContact CD2-CE1 3.6Å; L139-Y161 HydrophobicContact CG-CD1 3.74Å; L139-Y161 HydrophobicContact CG-CD2 4.4Å; L139-Y161 HydrophobicContact CG-CE1 3.53Å; L139-Y161 HydrophobicContact CG-CE2 4.22Å; L139-Y161 HydrophobicContact CG-CG 4.19Å; Q153-Y161 CarbonylContact O-C 3.54Å; Q153-Y161 WeakPolarHBondContact O-CA 3.48Å; Y154-Y161 HydrophobicContact CD2-CD2 4.09Å; Y154-Y161 HydrophobicContact CD2-CE1 4.33Å; Y154-Y161 AromaticContact CD2-CE2 3.88Å; Y154-Y161 HydrophobicContact CD2-CE2 3.88Å; Y154-Y161 HydrophobicContact CD2-CG 4.4Å; Y154-Y161 AromaticContact CD2-CZ 3.99Å; Y154-Y161 HydrophobicContact CG-CE1 4.48Å
162	I	87.1	Confident	80.1	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	161.6	178.9	62.5	168	0	0	0	110.5	N117 A125 P134 A135 C137 Q153 R160	N117-I162 WeakPolarHBondContact O-CD1 3.3Å; A125-I162 HydrophobicContact CB-CD1 4.41Å; P134-I162 HydrophobicContact CB-CB 4.19Å; P134-I162 HydrophobicContact CB-CD1 4.03Å; P134-I162 HydrophobicContact CB-CG2 4.06Å; A135-I162 CarbonylContact O-C 3.55Å; A135-I162 WeakPolarHBondContact O-CA 3.22Å; A135-I162 WeakPolarHBondContact O-CB 3.41Å; C137-I162 PolarHBondContact SG-O 3.03Å; C137-I162 VanDerWaalsContact SG-O 3.39Å; Q153-I162 PolarHBondContact N-O 2.82Å; Q153-I162 PolarHBondContact O-N 3.28Å; R160-I162 HydrophobicContact CG-CG2 4.07Å
163	C	91	Very high	79.4	Confident	1 Å²	1	64 Å²	64	1%	0.007	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	117.1	178.9	-64.1	0	0	0	0	111.4	A125 F126 A135 C146 Y150	A125-C163 CarbonylContact C-O 3.56Å; A125-C163 VanDerWaalsContact CA-O 3.26Å; A125-C163 WeakPolarHBondContact CA-O 3.41Å; F126-C163 HydrophobicContact CB-CB 3.84Å; F126-C163 PolarHBondContact N-O 2.89Å; A135-C163 HydrophobicContact CB-CB 4.33Å; A135-C163 PolarHBondContact O-N 3.48Å; C146-C163 WeakPolarHBondContact CA-SG 3.5Å; C146-C163 HydrophobicContact CB-CB 3.74Å; C146-C163 WeakPolarHBondContact CB-SG 3.32Å; C146-C163 WeakPolarHBondContact SG-CA 2.98Å; C146-C163 WeakPolarHBondContact SG-CB 3.31Å; C146-C163 CovalentContact SG-SG 2.04Å; C146-C163 PolarHBondContact SG-SG 3.17Å; Y150-C163 HydrophobicContact CD1-CB 4.4Å
164	C	91.1	Very high	79	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.014	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.9	-179.7	-62.9	0	0	0	0	110.7	C119 Q123 E124 L151 Q153	C119-C164 VanDerWaalsContact CA-SG 3.55Å; C119-C164 HydrophobicContact CB-CB 3.77Å; C119-C164 WeakPolarHBondContact CB-SG 3.29Å; C119-C164 WeakPolarHBondContact SG-CB 3.24Å; C119-C164 CovalentContact SG-SG 2.03Å; C119-C164 PolarHBondContact SG-SG 2.97Å; Q123-C164 HydrophobicContact CB-CB 4.46Å; E124-C164 CarbonylContact O-C 3.42Å; E124-C164 WeakPolarHBondContact O-CA 3.43Å; L151-C164 PolarHBondContact N-O 3.38Å; L151-C164 PolarHBondContact O-N 2.9Å; Q153-C164 HydrophobicContact CB-CB 4.29Å
165	R	91.1	Very high	78.7	Confident	86 Å²	86	62.2 Å²	62.2	33%	0.325	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154.8	169.7	73.7	172.8	-178.5	-168.2	0.2	111.7	Q123 E124 G149 Y150 K167	Q123-R165 CarbonylContact C-O 3.43Å; Q123-R165 WeakPolarHBondContact CA-O 3.44Å; Q123-R165 VanDerWaalsContact CB-O 3.22Å; Q123-R165 WeakPolarHBondContact CB-O 3.43Å; E124-R165 HydrophobicContact CG-CG 3.75Å; E124-R165 PolarHBondContact N-O 2.91Å; E124-R165 PolarHBondContact O-N 2.9Å; E124-R165 IonicContact OE1-CZ 3.2Å; E124-R165 IonicContact OE1-NE 2.76Å; E124-R165 PolarHBondContact OE1-NE 2.99Å; E124-R165 IonicContact OE1-NH2 2.77Å; E124-R165 PolarHBondContact OE1-NH2 3.18Å; G149-R165 WeakPolarHBondContact O-CB 3.34Å; Y150-R165 HydrophobicContact CD1-CB 3.65Å; Y150-R165 HydrophobicContact CD1-CG 3.79Å; Y150-R165 HydrophobicContact CD2-CB 4.45Å; Y150-R165 HydrophobicContact CE1-CB 3.9Å; Y150-R165 HydrophobicContact CE1-CG 3.45Å; Y150-R165 VanDerWaalsContact CE1-CG 3.45Å; Y150-R165 HydrophobicContact CE2-CG 4.3Å; Y150-R165 HydrophobicContact CG-CB 3.97Å; Y150-R165 HydrophobicContact CG-CG 4.34Å; Y150-R165 VanDerWaalsContact CZ-CD 3.43Å; Y150-R165 PolarHBondContact OH-NE 3.07Å; R165-K167 PolarHBondContact O-N 2.65Å
166	P	88.3	Confident	78.8	Confident	90 Å²	90	66.6 Å²	66.6	58%	0.584	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.8	134.4	165.6	-20.8	33.1	0	0	0	110.5	A168	P166-A168 PolarHBondContact O-N 3.16Å
167	K	82.3	Confident	79.6	Confident	101 Å²	101	67.9 Å²	67.9	44%	0.439	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-63.4	128.2	173	-67.8	179.5	-176	-174.2	0	108.5	G122 Q123 E124 R165 H169	G122-K167 WeakPolarHBondContact O-CG 3.27Å; G122-K167 PolarHBondContact O-N 3Å; Q123-K167 WeakPolarHBondContact O-CE 3.48Å; E124-K167 HydrophobicContact CB-CG 4.02Å; E124-K167 HydrophobicContact CG-CG 4.15Å; R165-K167 PolarHBondContact O-N 2.65Å; K167-H169 PolarHBondContact O-N 2.78Å
168	A	73.9	Confident	80.5	Confident	90 Å²	90	69.1 Å²	69.1	74%	0.744	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-65.5	126.3	168.2	0	0	0	0	0	108.1	P166	P166-A168 PolarHBondContact O-N 3.16Å
169	H	56.6	Low	81.3	Confident	260 Å²	260	74.5 Å²	74.5	100%	1.204	37%	0.373	S	S	*	.			trans	-82.5	0	176.3	-155.1	68.9	0	0	0	110.2	K167	K167-H169 PolarHBondContact O-N 2.78Å

Retrieved 169 of 169 residues in 1149.3 ms (Link to these results)

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