A0A3Q0KPA8_SCHMA Loading...

Putative twister

AlphaFold DB , UniProt , Accession A0A3Q0KPA8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 191 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	47.6	Very low	78.5	Confident	243 Å²	243	138.5 Å²	138.5	100%	1.197	66%	0.657	S	S	*	*				0	106.4	0	-87.3	-177.9	-103.1	0	0	106.7	A3	M1-A3 PolarHBondContact O-N 3.16Å
2	E	63.3	Low	79.4	Confident	185 Å²	185	133.4 Å²	133.4	86%	0.864	65%	0.648	S	S	*	*			trans	-61.7	132	166.5	-68.1	-176.1	158.2	0	0	107.4	V4	E2-V4 PolarHBondContact O-N 3.14Å
3	A	68.1	Low	79.9	Confident	68 Å²	68	129.3 Å²	129.3	56%	0.562	63%	0.63	S	S	*	*			trans	-65.1	105.7	180	0	0	0	0	0	107.8	M1 W5 T6	M1-A3 PolarHBondContact O-N 3.16Å; A3-W5 PolarHBondContact O-N 3.15Å; A3-T6 WeakPolarHBondContact O-CG2 3.16Å; A3-T6 PolarHBondContact O-N 3.02Å
4	V	73	Confident	80.3	Confident	105 Å²	105	128.9 Å²	128.9	64%	0.636	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.8	-26.5	179.3	-178.8	0	0	0	0	111.4	E2 T6 N9	E2-V4 PolarHBondContact O-N 3.14Å; V4-T6 PolarHBondContact O-N 2.95Å; V4-N9 PolarHBondContact O-ND2 3.12Å
5	W	79	Confident	80.7	Confident	202 Å²	202	126.2 Å²	126.2	77%	0.765	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	49	179.9	-55.2	104.6	0	0	0	113.6	A3 I10	A3-W5 PolarHBondContact O-N 3.15Å; W5-I10 HydrophobicContact CE3-CG1 4.39Å
6	T	87.4	Confident	80.9	Confident	55 Å²	55	127.2 Å²	127.2	34%	0.337	62%	0.624	S	S	.	*			trans	-74.4	153.2	166.1	55.6	0	0	0	0	110.9	A3 V4 E8 N9 I10	A3-T6 WeakPolarHBondContact O-CG2 3.16Å; A3-T6 PolarHBondContact O-N 3.02Å; V4-T6 PolarHBondContact O-N 2.95Å; T6-E8 PolarHBondContact O-N 2.78Å; T6-E8 VanDerWaalsContact O-N 3.15Å; T6-N9 PolarHBondContact O-N 3.18Å; T6-N9 VanDerWaalsContact O-N 3.12Å; T6-N9 PolarHBondContact OG1-N 3.13Å; T6-N9 PolarHBondContact OG1-ND2 2.88Å; T6-N9 PolarHBondContact OG1-OD1 3.03Å; T6-I10 WeakPolarHBondContact O-CG1 3.38Å; T6-I10 PolarHBondContact O-N 2.87Å
7	R	87.7	Confident	81.1	Confident	201 Å²	201	127.2 Å²	127.2	76%	0.758	63%	0.626	S	S	*	*	H	α-helix	trans	-52.3	-34.4	174.7	67.7	-174.3	-174.7	-166.9	-1.4	113.4	R11	R7-R11 WeakPolarHBondContact O-CB 3.4Å; R7-R11 PolarHBondContact O-N 2.83Å; R7-R11 VanDerWaalsContact O-N 3.08Å
8	E	91	Very high	81.2	Confident	117 Å²	117	127.3 Å²	127.3	55%	0.547	62%	0.619	S	S	.	*	H	α-helix	trans	-72.8	-43.5	-179.5	-81.3	148.8	-143.2	0	0	110.6	T6 I10 R11 S12	T6-E8 PolarHBondContact O-N 2.78Å; T6-E8 VanDerWaalsContact O-N 3.15Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 3.27Å; E8-R11 PolarHBondContact O-N 2.68Å; E8-S12 PolarHBondContact O-N 2.81Å; E8-S12 PolarHBondContact O-OG 3.17Å; E8-S12 VanDerWaalsContact O-OG 3.12Å
9	N	88.9	Confident	80.8	Confident	84 Å²	84	126.1 Å²	126.1	45%	0.449	62%	0.615	S	S	.	*	H	α-helix	trans	-62.5	-42.3	174.7	-69.2	1.2	0	0	0	111.7	V4 T6 R11 S12 L13	V4-N9 PolarHBondContact O-ND2 3.12Å; T6-N9 PolarHBondContact O-N 3.18Å; T6-N9 VanDerWaalsContact O-N 3.12Å; T6-N9 PolarHBondContact OG1-N 3.13Å; T6-N9 PolarHBondContact OG1-ND2 2.88Å; T6-N9 PolarHBondContact OG1-OD1 3.03Å; N9-R11 VanDerWaalsContact C-N 3.31Å; N9-R11 PolarHBondContact O-N 2.91Å; N9-S12 PolarHBondContact O-N 3.21Å; N9-L13 WeakPolarHBondContact O-CB 3.39Å; N9-L13 PolarHBondContact O-N 2.91Å
10	I	90.3	Very high	80.1	Confident	87 Å²	87	124.9 Å²	124.9	45%	0.446	62%	0.618	S	S	.	*	H	α-helix	trans	-62	-40.8	176.8	-65.1	167.9	0	0	0	110.7	W5 T6 E8 L13 Q14	W5-I10 HydrophobicContact CE3-CG1 4.39Å; T6-I10 WeakPolarHBondContact O-CG1 3.38Å; T6-I10 PolarHBondContact O-N 2.87Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 3.27Å; I10-L13 PolarHBondContact O-N 2.98Å; I10-Q14 WeakPolarHBondContact O-CB 3.46Å; I10-Q14 PolarHBondContact O-N 2.73Å
11	R	87.7	Confident	79.2	Confident	176 Å²	176	127.2 Å²	127.2	66%	0.664	63%	0.627	S	S	*	*	H	α-helix	trans	-70.6	-38.4	179.1	-157.3	177.5	-165.7	171.7	3.5	112.5	R7 E8 N9 Q14 N15	R7-R11 WeakPolarHBondContact O-CB 3.4Å; R7-R11 PolarHBondContact O-N 2.83Å; R7-R11 VanDerWaalsContact O-N 3.08Å; E8-R11 PolarHBondContact O-N 2.68Å; N9-R11 VanDerWaalsContact C-N 3.31Å; N9-R11 PolarHBondContact O-N 2.91Å; R11-Q14 PolarHBondContact O-N 3.27Å; R11-N15 VanDerWaalsContact O-CG 3.29Å; R11-N15 PolarHBondContact O-N 3.27Å; R11-N15 PolarHBondContact O-ND2 3.08Å
12	S	88.9	Confident	79.7	Confident	78 Å²	78	121.2 Å²	121.2	55%	0.545	60%	0.599	S	S	.	*	H	α-helix	trans	-62.7	-44	172.6	-64.7	0	0	0	0	111.5	E8 N9 N15 L16	E8-S12 PolarHBondContact O-N 2.81Å; E8-S12 PolarHBondContact O-OG 3.17Å; E8-S12 VanDerWaalsContact O-OG 3.12Å; N9-S12 PolarHBondContact O-N 3.21Å; S12-N15 PolarHBondContact O-N 3.41Å; S12-L16 PolarHBondContact O-N 3.49Å
13	L	85.3	Confident	79.4	Confident	80 Å²	80	118.2 Å²	118.2	42%	0.419	59%	0.585	S	S	.	*	H	α-helix	trans	-63.5	-43.7	175.5	-178.2	63.7	0	0	0	111.4	N9 I10 N15 L16 L17	N9-L13 WeakPolarHBondContact O-CB 3.39Å; N9-L13 PolarHBondContact O-N 2.91Å; I10-L13 PolarHBondContact O-N 2.98Å; L13-N15 VanDerWaalsContact C-N 3.29Å; L13-N15 PolarHBondContact O-N 2.92Å; L13-L16 PolarHBondContact O-N 3.02Å; L13-L16 VanDerWaalsContact O-N 3.13Å; L13-L17 HydrophobicContact CD1-CD1 3.96Å; L13-L17 HydrophobicContact CD1-CG 3.98Å; L13-L17 HydrophobicContact CD2-CD1 4.39Å; L13-L17 HydrophobicContact CG-CD1 3.84Å; L13-L17 HydrophobicContact CG-CG 4.24Å; L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 WeakPolarHBondContact O-CG 3.31Å; L13-L17 PolarHBondContact O-N 3.02Å
14	Q	86.3	Confident	78.5	Confident	124 Å²	124	122.5 Å²	122.5	58%	0.579	60%	0.599	S	S	*	*	H	α-helix	trans	-57.3	-43.2	175.4	-177.8	-175.7	15	0	0	111.7	I10 R11 L16 R18	I10-Q14 WeakPolarHBondContact O-CB 3.46Å; I10-Q14 PolarHBondContact O-N 2.73Å; R11-Q14 PolarHBondContact O-N 3.27Å; Q14-L16 VanDerWaalsContact C-N 3.33Å; Q14-R18 WeakPolarHBondContact O-CB 3.2Å; Q14-R18 PolarHBondContact O-N 2.78Å
15	N	85.2	Confident	77.1	Confident	88 Å²	88	120.9 Å²	120.9	47%	0.471	59%	0.587	S	S	.	*	H	α-helix	trans	-70	-30.1	178.1	-70	-19.1	0	0	0	112.6	R11 S12 L13	R11-N15 VanDerWaalsContact O-CG 3.29Å; R11-N15 PolarHBondContact O-N 3.27Å; R11-N15 PolarHBondContact O-ND2 3.08Å; S12-N15 PolarHBondContact O-N 3.41Å; L13-N15 VanDerWaalsContact C-N 3.29Å; L13-N15 PolarHBondContact O-N 2.92Å
16	L	85	Confident	75.6	Confident	142 Å²	142	116.8 Å²	116.8	74%	0.743	59%	0.589	S	S	*	*	H	α-helix	trans	-75.1	-39.2	176.6	-174.8	68.3	0	0	0	112.4	S12 L13 Q14 R18	S12-L16 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 3.02Å; L13-L16 VanDerWaalsContact O-N 3.13Å; Q14-L16 VanDerWaalsContact C-N 3.33Å; L16-R18 VanDerWaalsContact C-N 3.27Å
17	L	84.7	Confident	73.7	Confident	127 Å²	127	121 Å²	121	67%	0.665	61%	0.609	S	S	*	*	H	α-helix	trans	-79.3	-9.4	177.1	-65.9	177.6	0	0	0	112.8	L13 D19	L13-L17 HydrophobicContact CD1-CD1 3.96Å; L13-L17 HydrophobicContact CD1-CG 3.98Å; L13-L17 HydrophobicContact CD2-CD1 4.39Å; L13-L17 HydrophobicContact CG-CD1 3.84Å; L13-L17 HydrophobicContact CG-CG 4.24Å; L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 WeakPolarHBondContact O-CG 3.31Å; L13-L17 PolarHBondContact O-N 3.02Å; L17-D19 PolarHBondContact O-N 2.83Å
18	R	82.3	Confident	71.7	Confident	130 Å²	130	117.4 Å²	117.4	49%	0.491	60%	0.601	S	S	.	*	S	Bend	trans	-74.2	117.8	174.1	-175.4	163.1	90.7	-153.1	11.8	108.5	Q14 L16 P20 E23	Q14-R18 WeakPolarHBondContact O-CB 3.2Å; Q14-R18 PolarHBondContact O-N 2.78Å; L16-R18 VanDerWaalsContact C-N 3.27Å; R18-P20 WeakPolarHBondContact O-CD 3.38Å; R18-E23 IonicContact CZ-OE1 2.77Å; R18-E23 IonicContact NE-OE1 2.86Å; R18-E23 PolarHBondContact NE-OE1 3.48Å; R18-E23 IonicContact NH2-OE1 3.03Å; R18-E23 PolarHBondContact NH2-OE1 3.27Å
19	D	73	Confident	69.6	Low	103 Å²	103	118.8 Å²	118.8	55%	0.551	61%	0.612	S	S	*	*			trans	-62.3	121.8	170.9	-72.6	-43.8	0	0	0	109.5	L17 E21 L22	L17-D19 PolarHBondContact O-N 2.83Å; D19-E21 PolarHBondContact O-N 2.71Å; D19-L22 HydrophobicContact CB-CD1 4.03Å; D19-L22 HydrophobicContact CB-CG 4.02Å; D19-L22 PolarHBondContact O-N 2.93Å
20	P	66.7	Low	67.7	Low	102 Å²	102	121.3 Å²	121.3	66%	0.662	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-64.6	-25.6	179.6	24.9	-32.6	0	0	0	112.1	R18 L22 E23	R18-P20 WeakPolarHBondContact O-CD 3.38Å; P20-L22 PolarHBondContact O-N 3.17Å; P20-E23 PolarHBondContact O-N 2.72Å
21	E	62.2	Low	65.9	Low	174 Å²	174	122.7 Å²	122.7	81%	0.813	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-72.6	-10.8	179.5	-59.7	-164	142.1	0	0	113.5	D19	D19-E21 PolarHBondContact O-N 2.71Å
22	L	57.3	Low	64.1	Low	117 Å²	117	119.6 Å²	119.6	61%	0.613	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-89.9	1.3	174.7	-64	178.6	0	0	0	113.4	D19 P20 D24	D19-L22 HydrophobicContact CB-CD1 4.03Å; D19-L22 HydrophobicContact CB-CG 4.02Å; D19-L22 PolarHBondContact O-N 2.93Å; P20-L22 PolarHBondContact O-N 3.17Å; L22-D24 VanDerWaalsContact C-N 3.3Å; L22-D24 PolarHBondContact O-N 2.86Å
23	E	57	Low	62.5	Low	122 Å²	122	119.4 Å²	119.4	57%	0.57	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-25.3	178.1	-70.6	-154.5	174.2	0	0	113.9	R18 P20	R18-E23 IonicContact CZ-OE1 2.77Å; R18-E23 IonicContact NE-OE1 2.86Å; R18-E23 PolarHBondContact NE-OE1 3.48Å; R18-E23 IonicContact NH2-OE1 3.03Å; R18-E23 PolarHBondContact NH2-OE1 3.27Å; P20-E23 PolarHBondContact O-N 2.72Å
24	D	49.9	Very low	61.2	Low	158 Å²	158	121.2 Å²	121.2	85%	0.845	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	12.7	-172.1	-90.4	-30.1	0	0	0	115.1	L22	L22-D24 VanDerWaalsContact C-N 3.3Å; L22-D24 PolarHBondContact O-N 2.86Å
25	N	43.1	Very low	59.8	Low	72 Å²	72	122.2 Å²	122.2	39%	0.385	65%	0.652	S	S	.	*			trans	-115.5	50.1	178.1	-92.6	-67.3	0	0	0	112.7	D27 Q28	N25-D27 PolarHBondContact O-N 3.35Å; N25-Q28 HydrophobicContact CB-CB 3.98Å; N25-Q28 HydrophobicContact CB-CG 4.29Å; N25-Q28 WeakPolarHBondContact OD1-CB 3.43Å; N25-Q28 WeakPolarHBondContact OD1-CG 3.39Å; N25-Q28 PolarHBondContact OD1-NE2 2.88Å
26	S	48.4	Very low	58.7	Low	116 Å²	116	121.8 Å²	121.8	81%	0.811	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-12.4	162.1	-175	0	0	0	0	112.7
27	D	46.7	Very low	57.8	Low	143 Å²	143	122.1 Å²	122.1	77%	0.765	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	15.3	-178.8	-65.5	-31.6	0	0	0	113.2	N25 D29	N25-D27 PolarHBondContact O-N 3.35Å; D27-D29 PolarHBondContact O-N 3.06Å
28	Q	46	Very low	56.9	Low	126 Å²	126	121.3 Å²	121.3	59%	0.589	65%	0.645	S	S	*	*			trans	-74.2	86.1	164.1	-107.6	171.3	25.1	0	0	107.9	N25 D30	N25-Q28 HydrophobicContact CB-CB 3.98Å; N25-Q28 HydrophobicContact CB-CG 4.29Å; N25-Q28 WeakPolarHBondContact OD1-CB 3.43Å; N25-Q28 WeakPolarHBondContact OD1-CG 3.39Å; N25-Q28 PolarHBondContact OD1-NE2 2.88Å; Q28-D30 PolarHBondContact O-N 3.22Å
29	D	47.2	Very low	56.4	Low	146 Å²	146	122.3 Å²	122.3	78%	0.781	65%	0.653	S	S	*	*			trans	-5.2	101.3	147.2	-73	-45.2	0	0	0	109	D27 V31	D27-D29 PolarHBondContact O-N 3.06Å; D29-V31 PolarHBondContact O-N 3.3Å
30	D	49.4	Very low	56.4	Low	136 Å²	136	122.9 Å²	122.9	73%	0.727	66%	0.663	S	S	*	*			trans	-30.1	108.6	171.5	-81.1	-55	0	0	0	106.4	Q28 I32	Q28-D30 PolarHBondContact O-N 3.22Å; D30-I32 WeakPolarHBondContact O-CG1 3.39Å; D30-I32 PolarHBondContact O-N 3.45Å
31	V	51.3	Low	56.5	Low	116 Å²	116	121.7 Å²	121.7	70%	0.703	67%	0.669	S	S	*	*			trans	-61.8	99	178.9	-177	0	0	0	0	102.8	D29 T33	D29-V31 PolarHBondContact O-N 3.3Å; V31-T33 HydrophobicContact CG1-CG2 4.4Å; V31-T33 PolarHBondContact O-N 2.87Å
32	I	50.2	Low	56.8	Low	111 Å²	111	116 Å²	116	57%	0.569	64%	0.644	S	S	*	*			trans	-71.9	73.4	-172.5	-51.9	-179.2	0	0	0	104.6	D30 K37	D30-I32 WeakPolarHBondContact O-CG1 3.39Å; D30-I32 PolarHBondContact O-N 3.45Å; I32-K37 HydrophobicContact CG2-CD 4.46Å; I32-K37 HydrophobicContact CG2-CG 4.43Å
33	T	55	Low	57.4	Low	74 Å²	74	117.1 Å²	117.1	45%	0.454	65%	0.649	S	S	.	*			trans	-60.1	138.3	164.1	48.2	0	0	0	0	105.1	V31 M35 S36	V31-T33 HydrophobicContact CG1-CG2 4.4Å; V31-T33 PolarHBondContact O-N 2.87Å; T33-M35 PolarHBondContact O-N 2.83Å; T33-S36 WeakPolarHBondContact O-CB 3.29Å; T33-S36 PolarHBondContact O-N 3.07Å
34	P	57.8	Low	57.8	Low	118 Å²	118	113.4 Å²	113.4	77%	0.766	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-19.2	-178.9	19.2	-30.3	0	0	0	112.6	K37	P34-K37 PolarHBondContact O-N 2.99Å
35	M	58.5	Low	58.9	Low	145 Å²	145	112.2 Å²	112.2	71%	0.714	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-31.4	173.6	-142	177.8	-67	0	0	113.6	T33 K37 M38	T33-M35 PolarHBondContact O-N 2.83Å; M35-K37 PolarHBondContact O-N 2.78Å; M35-M38 HydrophobicContact CG-SD 3.78Å; M35-M38 WeakPolarHBondContact O-CB 3.29Å; M35-M38 PolarHBondContact O-N 2.82Å
36	S	61.9	Low	60	Low	79 Å²	79	115.8 Å²	115.8	55%	0.552	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-23.4	175.7	173.8	0	0	0	0	112.8	T33 M38	T33-S36 WeakPolarHBondContact O-CB 3.29Å; T33-S36 PolarHBondContact O-N 3.07Å; S36-M38 VanDerWaalsContact C-N 3.34Å
37	K	64.5	Low	60.5	Low	150 Å²	150	122 Å²	122	65%	0.652	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-6.5	173.6	-82.8	179.6	178.9	171.3	0	114.5	I32 P34 M35 K39	I32-K37 HydrophobicContact CG2-CD 4.46Å; I32-K37 HydrophobicContact CG2-CG 4.43Å; P34-K37 PolarHBondContact O-N 2.99Å; M35-K37 PolarHBondContact O-N 2.78Å; K37-K39 PolarHBondContact O-N 3.39Å; K37-K39 VanDerWaalsContact O-N 3.12Å
38	M	66.5	Low	60.8	Low	109 Å²	109	122.1 Å²	122.1	54%	0.537	66%	0.663	S	S	.	*			trans	-72.8	108.3	178.4	-68.9	176.8	72.1	0	0	109.2	M35 S36	M35-M38 HydrophobicContact CG-SD 3.78Å; M35-M38 WeakPolarHBondContact O-CB 3.29Å; M35-M38 PolarHBondContact O-N 2.82Å; S36-M38 VanDerWaalsContact C-N 3.34Å
39	K	71.7	Confident	61	Low	151 Å²	151	120.5 Å²	120.5	66%	0.657	67%	0.666	S	S	*	*			trans	-80.6	158	173.1	-58.3	-178.2	-176.7	-171.6	0	107.9	K37 G41 D42	K37-K39 PolarHBondContact O-N 3.39Å; K37-K39 VanDerWaalsContact O-N 3.12Å; K39-G41 PolarHBondContact O-N 2.81Å; K39-D42 PolarHBondContact N-OD2 3.21Å; K39-D42 WeakPolarHBondContact O-CB 3.26Å; K39-D42 PolarHBondContact O-N 2.91Å
40	P	73.7	Confident	61	Low	116 Å²	116	122 Å²	122	75%	0.753	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-51.1	-25.7	173.8	-28.6	35.5	0	0	0	114	I43	P40-I43 PolarHBondContact O-N 3.31Å
41	G	68.2	Low	61.1	Low	77 Å²	77	121.8 Å²	121.8	79%	0.794	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-75.5	-9.8	174.2	0	0	0	0	0	116.5	K39 I43	K39-G41 PolarHBondContact O-N 2.81Å; G41-I43 VanDerWaalsContact C-N 3.33Å
42	D	68.7	Low	60.8	Low	54 Å²	54	125.4 Å²	125.4	29%	0.289	68%	0.678	S	S	.	*	G	3₁₀ helix	trans	-85.1	-8.4	170.9	-78.4	-64.6	0	0	0	112.3	K39 G44 K46	K39-D42 PolarHBondContact N-OD2 3.21Å; K39-D42 WeakPolarHBondContact O-CB 3.26Å; K39-D42 PolarHBondContact O-N 2.91Å; D42-G44 VanDerWaalsContact C-N 3.32Å; D42-G44 PolarHBondContact O-N 3.1Å; D42-K46 VanDerWaalsContact OD1-CE 3.24Å; D42-K46 WeakPolarHBondContact OD1-CE 3.32Å; D42-K46 IonicContact OD1-NZ 2.82Å; D42-K46 PolarHBondContact OD1-NZ 2.84Å
43	I	70.2	Confident	60.9	Low	141 Å²	141	129.6 Å²	129.6	72%	0.723	69%	0.692	S	S	*	*	S	Bend	trans	-79.9	84.9	175.3	-52.8	178.8	0	0	0	108	P40 G41	P40-I43 PolarHBondContact O-N 3.31Å; G41-I43 VanDerWaalsContact C-N 3.33Å
44	G	65.7	Low	60.7	Low	44 Å²	44	134.6 Å²	134.6	45%	0.454	71%	0.71	S	S	.	*	S	Bend	trans	168.3	159.9	178.7	0	0	0	0	0	111.4	D42 K46	D42-G44 VanDerWaalsContact C-N 3.32Å; D42-G44 PolarHBondContact O-N 3.1Å; G44-K46 PolarHBondContact O-N 3.02Å
45	P	71.9	Confident	60.2	Low	132 Å²	132	138.1 Å²	138.1	86%	0.857	71%	0.713	S	S	*	*			trans	-59.8	109.9	-178.6	24.3	-32.3	0	0	0	109.3	R47	P45-R47 PolarHBondContact O-N 3.06Å
46	K	66	Low	60	Low	148 Å²	148	136.5 Å²	136.5	64%	0.643	71%	0.713	S	S	*	*			trans	-59.1	129.5	168.6	-66.3	-164.6	176.9	-161.1	0	106.9	D42 G44 N48	D42-K46 VanDerWaalsContact OD1-CE 3.24Å; D42-K46 WeakPolarHBondContact OD1-CE 3.32Å; D42-K46 IonicContact OD1-NZ 2.82Å; D42-K46 PolarHBondContact OD1-NZ 2.84Å; G44-K46 PolarHBondContact O-N 3.02Å; K46-N48 PolarHBondContact O-N 2.82Å
47	R	58.2	Low	59.6	Low	246 Å²	246	140.2 Å²	140.2	93%	0.928	73%	0.727	S	S	*	*			trans	-67.9	69.2	173.7	-67.8	-179.7	174.9	-177	-1.7	108.9	P45	P45-R47 PolarHBondContact O-N 3.06Å
48	N	54.1	Low	59.4	Low	145 Å²	145	138.8 Å²	138.8	78%	0.775	73%	0.73	S	S	*	*			trans	-94.2	104.4	163.4	-97.9	1.2	0	0	0	107.6	K46	K46-N48 PolarHBondContact O-N 2.82Å
49	S	50	Low	59.2	Low	93 Å²	93	140.8 Å²	140.8	65%	0.65	74%	0.736	S	S	*	*			trans	-33.5	135.6	153.6	7.9	0	0	0	0	112.1
50	E	47.9	Very low	58.9	Low	176 Å²	176	143 Å²	143	82%	0.822	75%	0.749	S	S	*	*			trans	55.2	71.8	163.2	-75.4	100.3	142	0	0	118.7
51	V	50.3	Low	58.5	Low	132 Å²	132	142.9 Å²	142.9	80%	0.8	74%	0.737	S	S	*	*			trans	-119.8	115.4	138	-175	0	0	0	0	108.3	K53	V51-K53 PolarHBondContact O-N 2.83Å
52	K	46.6	Very low	58.7	Low	193 Å²	193	143.1 Å²	143.1	84%	0.839	72%	0.72	S	S	*	*			trans	-44.8	110.4	176.8	-72.6	171.4	173.5	176.5	0	109.4	E54	K52-E54 VanDerWaalsContact C-N 3.25Å; K52-E54 PolarHBondContact O-N 2.79Å
53	K	50.9	Low	59	Low	199 Å²	199	146.3 Å²	146.3	87%	0.865	74%	0.743	S	S	*	*			trans	-68	89.6	169.1	-68.6	-177.1	178.2	-177.7	0	107.6	V51 K55	V51-K53 PolarHBondContact O-N 2.83Å; K53-K55 PolarHBondContact O-N 2.83Å; K53-K55 VanDerWaalsContact O-N 3.12Å
54	E	50.6	Low	59.4	Low	179 Å²	179	146.4 Å²	146.4	84%	0.836	75%	0.745	S	S	*	*			trans	-58.5	113.7	159.1	-72	-174.7	167.6	0	0	106.4	K52 P56	K52-E54 VanDerWaalsContact C-N 3.25Å; K52-E54 PolarHBondContact O-N 2.79Å; E54-P56 WeakPolarHBondContact O-CD 3.24Å
55	K	48.6	Very low	59.9	Low	192 Å²	192	149 Å²	149	84%	0.835	75%	0.748	S	S	*	*			trans	-61.8	120.5	-177.6	-67	178.1	179.1	-179.7	0	107	K53 N57	K53-K55 PolarHBondContact O-N 2.83Å; K53-K55 VanDerWaalsContact O-N 3.12Å; K55-N57 PolarHBondContact O-N 3.29Å
56	P	53.5	Low	60.2	Low	110 Å²	110	149.3 Å²	149.3	71%	0.714	74%	0.742	S	S	*	*			trans	-58.8	129.4	172.2	23.6	-29.8	0	0	0	107.4	E54 V58	E54-P56 WeakPolarHBondContact O-CD 3.24Å; P56-V58 PolarHBondContact O-N 2.75Å
57	N	54.1	Low	60.7	Low	157 Å²	157	150.4 Å²	150.4	84%	0.84	74%	0.742	S	S	*	*			trans	-57.6	102.8	177	-166.4	-5.3	0	0	0	107.2	K55 K59	K55-N57 PolarHBondContact O-N 3.29Å; N57-K59 PolarHBondContact O-N 2.81Å
58	V	60.2	Low	61.5	Low	120 Å²	120	140.9 Å²	140.9	73%	0.727	71%	0.709	S	S	*	*			trans	-67	99.3	179.9	-179.2	0	0	0	0	105.6	P56 Q60	P56-V58 PolarHBondContact O-N 2.75Å; V58-Q60 PolarHBondContact O-N 3.31Å; V58-Q60 VanDerWaalsContact O-N 3.15Å
59	K	63	Low	62.4	Low	151 Å²	151	140.3 Å²	140.3	66%	0.657	71%	0.705	S	S	*	*			trans	-49.4	125.6	167.8	-67.7	-176.7	-173.5	173.1	0	106.3	N57 K61 D70	N57-K59 PolarHBondContact O-N 2.81Å; K59-K61 PolarHBondContact O-N 3.12Å; K59-D70 IonicContact NZ-OD2 2.83Å; K59-D70 PolarHBondContact NZ-OD2 3.41Å
60	Q	65.1	Low	63.5	Low	197 Å²	197	141.9 Å²	141.9	92%	0.921	71%	0.706	S	S	*	*			trans	-61.9	106.4	-178.8	-73.6	177.3	-44.5	0	0	108.2	V58	V58-Q60 PolarHBondContact O-N 3.31Å; V58-Q60 VanDerWaalsContact O-N 3.15Å
61	K	65	Low	64.7	Low	115 Å²	115	138.1 Å²	138.1	50%	0.5	69%	0.689	S	S	.	*			trans	-61.6	135	171.9	-67	-169.8	174.8	-113.5	0	108.6	K59 D68 E71	K59-K61 PolarHBondContact O-N 3.12Å; K61-D68 WeakPolarHBondContact CE-OD2 3.46Å; K61-D68 IonicContact NZ-OD2 2.68Å; K61-D68 PolarHBondContact NZ-OD2 3.02Å; K61-E71 IonicContact NZ-OE1 2.78Å; K61-E71 PolarHBondContact NZ-OE1 3.34Å; K61-E71 IonicContact NZ-OE2 3.81Å
62	N	72.3	Confident	65.6	Low	82 Å²	82	136.1 Å²	136.1	44%	0.439	67%	0.672	S	S	.	*			trans	-71.4	122.4	169.4	-172.1	16.3	0	0	0	107.8	D64 D65	N62-D64 PolarHBondContact O-N 3.36Å; N62-D64 VanDerWaalsContact O-N 3.14Å; N62-D65 HydrophobicContact CB-CB 4.32Å; N62-D65 PolarHBondContact ND2-OD2 3.17Å; N62-D65 PolarHBondContact O-N 3.13Å; N62-D65 VanDerWaalsContact O-N 3.16Å
63	P	74.2	Confident	66.3	Low	120 Å²	120	132 Å²	132	78%	0.779	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-16.5	-176	24.6	-34.9	0	0	0	114.3
64	D	79.1	Confident	66.8	Low	144 Å²	144	130.6 Å²	130.6	77%	0.77	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-14.8	177.8	-73.7	-23.7	0	0	0	113.6	N62	N62-D64 PolarHBondContact O-N 3.36Å; N62-D64 VanDerWaalsContact O-N 3.14Å
65	D	76.8	Confident	67	Low	97 Å²	97	123.4 Å²	123.4	52%	0.519	64%	0.636	S	S	.	*			trans	-89.4	123.1	178.5	-78	-45.8	0	0	0	110.7	N62 W67	N62-D65 HydrophobicContact CB-CB 4.32Å; N62-D65 PolarHBondContact ND2-OD2 3.17Å; N62-D65 PolarHBondContact O-N 3.13Å; N62-D65 VanDerWaalsContact O-N 3.16Å; D65-W67 VanDerWaalsContact C-N 3.32Å
66	I	78.7	Confident	67.2	Low	139 Å²	139	118.6 Å²	118.6	71%	0.713	62%	0.623	S	S	*	*	S	Bend	trans	-72.2	-30.1	178.1	-60.1	176.4	0	0	0	110.9
67	W	76.6	Confident	67.3	Low	171 Å²	171	116.5 Å²	116.5	65%	0.648	60%	0.603	S	S	*	*	S	Bend	trans	-131.4	135.4	179.1	-66.2	-65.2	0	0	0	110.2	D65 I72	D65-W67 VanDerWaalsContact C-N 3.32Å; W67-I72 HydrophobicContact CB-CD1 4.28Å; W67-I72 HydrophobicContact CB-CG1 3.89Å
68	D	73.8	Confident	67.3	Low	46 Å²	46	116 Å²	116	25%	0.246	60%	0.595	C	S	.	*			trans	-72.1	151.4	166.9	-69.6	-42.3	0	0	0	110.1	K61 D70 E71 I72	K61-D68 WeakPolarHBondContact CE-OD2 3.46Å; K61-D68 IonicContact NZ-OD2 2.68Å; K61-D68 PolarHBondContact NZ-OD2 3.02Å; D68-D70 PolarHBondContact O-N 2.83Å; D68-D70 VanDerWaalsContact O-N 3.17Å; D68-E71 HydrophobicContact CB-CB 4.31Å; D68-E71 HydrophobicContact CB-CG 3.99Å; D68-E71 PolarHBondContact N-OE2 2.96Å; D68-E71 VanDerWaalsContact N-OE2 3.13Å; D68-E71 WeakPolarHBondContact O-CA 3.39Å; D68-E71 WeakPolarHBondContact O-CB 3.49Å; D68-E71 PolarHBondContact O-N 2.87Å; D68-I72 PolarHBondContact O-N 2.9Å
69	I	72.6	Confident	67.1	Low	134 Å²	134	115.2 Å²	115.2	69%	0.687	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.5	-35.5	172.9	-67.4	164.7	0	0	0	110.8	E71 I72	I69-E71 VanDerWaalsContact C-N 3.26Å; I69-E71 PolarHBondContact O-N 3.25Å; I69-I72 PolarHBondContact O-N 2.84Å
70	D	73.6	Confident	67.1	Low	125 Å²	125	111.8 Å²	111.8	67%	0.668	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-17.7	176.4	-64.7	-24.6	0	0	0	112.6	K59 D68	K59-D70 IonicContact NZ-OD2 2.83Å; K59-D70 PolarHBondContact NZ-OD2 3.41Å; D68-D70 PolarHBondContact O-N 2.83Å; D68-D70 VanDerWaalsContact O-N 3.17Å
71	E	73	Confident	67.1	Low	98 Å²	98	109.5 Å²	109.5	46%	0.458	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.9	-20.3	178.4	-70.3	175.7	166.9	0	0	113	K61 D68 I69 P73	K61-E71 IonicContact NZ-OE1 2.78Å; K61-E71 PolarHBondContact NZ-OE1 3.34Å; K61-E71 IonicContact NZ-OE2 3.81Å; D68-E71 HydrophobicContact CB-CB 4.31Å; D68-E71 HydrophobicContact CB-CG 3.99Å; D68-E71 PolarHBondContact N-OE2 2.96Å; D68-E71 VanDerWaalsContact N-OE2 3.13Å; D68-E71 WeakPolarHBondContact O-CA 3.39Å; D68-E71 WeakPolarHBondContact O-CB 3.49Å; D68-E71 PolarHBondContact O-N 2.87Å; I69-E71 VanDerWaalsContact C-N 3.26Å; I69-E71 PolarHBondContact O-N 3.25Å; E71-P73 VanDerWaalsContact O-CD 3.31Å; E71-P73 WeakPolarHBondContact O-CD 3.11Å
72	I	68.6	Low	67.2	Low	90 Å²	90	113.9 Å²	113.9	46%	0.462	58%	0.58	S	S	.	*	S	Bend	trans	-79.8	116.4	174.4	-58.1	171.1	0	0	0	107.4	W67 D68 I69 E74	W67-I72 HydrophobicContact CB-CD1 4.28Å; W67-I72 HydrophobicContact CB-CG1 3.89Å; D68-I72 PolarHBondContact O-N 2.9Å; I69-I72 PolarHBondContact O-N 2.84Å; I72-E74 PolarHBondContact O-N 2.82Å
73	P	62.2	Low	67.5	Low	106 Å²	106	111.8 Å²	111.8	69%	0.688	57%	0.569	S	S	*	*			trans	-62.5	113.1	172.4	-14.8	29.1	0	0	0	108	E71 G75	E71-P73 VanDerWaalsContact O-CD 3.31Å; E71-P73 WeakPolarHBondContact O-CD 3.11Å; P73-G75 PolarHBondContact O-N 2.87Å
74	E	60.8	Low	67.9	Low	169 Å²	169	112 Å²	112	79%	0.79	57%	0.571	S	S	*	*	S	Bend	trans	-55.8	-4.4	170.8	-75.5	-87.4	154.9	0	0	112.9	I72 T76	I72-E74 PolarHBondContact O-N 2.82Å; E74-T76 PolarHBondContact O-N 2.88Å
75	G	55.3	Low	68.4	Low	28 Å²	28	108.2 Å²	108.2	29%	0.289	55%	0.546	S	S	.	.			trans	-91.1	61.6	-179	0	0	0	0	0	114.5	P73 Q77 H78	P73-G75 PolarHBondContact O-N 2.87Å; G75-Q77 PolarHBondContact O-N 2.9Å; G75-H78 PolarHBondContact O-ND1 3.33Å
76	T	53.5	Low	69	Low	92 Å²	92	107.2 Å²	107.2	56%	0.564	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	24.2	159.6	64.2	0	0	0	0	112.8	E74 H78	E74-T76 PolarHBondContact O-N 2.88Å; T76-H78 PolarHBondContact O-N 3.42Å
77	Q	54.3	Low	69.5	Low	66 Å²	66	105.6 Å²	105.6	31%	0.308	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	0.4	174.4	-64.4	-163.4	-29.8	0	0	113	G75 E79 F142 Y155	G75-Q77 PolarHBondContact O-N 2.9Å; Q77-E79 PolarHBondContact O-N 3.48Å; Q77-F142 HydrophobicContact CB-CE2 4.11Å; Q77-F142 HydrophobicContact CB-CZ 4.2Å; Q77-F142 WeakPolarHBondContact O-CE2 3.07Å; Q77-Y155 PolarHBondContact O-OH 3.24Å
78	H	53.9	Low	70.2	Confident	145 Å²	145	97.8 Å²	97.8	67%	0.671	51%	0.505	S	S	*	.	S	Bend	trans	-74.9	127.3	177.8	-69.8	64.2	0	0	0	108.6	G75 T76 D80	G75-H78 PolarHBondContact O-ND1 3.33Å; T76-H78 PolarHBondContact O-N 3.42Å; H78-D80 VanDerWaalsContact C-N 3.29Å; H78-D80 PolarHBondContact O-N 2.83Å
79	E	57	Low	71.2	Confident	105 Å²	105	103.6 Å²	103.6	49%	0.491	53%	0.528	S	S	.	.			trans	-52.2	107.8	153.7	-63.8	-142.5	146.4	0	0	105.6	Q77 I81 V153	Q77-E79 PolarHBondContact O-N 3.48Å; E79-I81 PolarHBondContact O-N 2.83Å; E79-V153 HydrophobicContact CG-CB 4.26Å; E79-V153 HydrophobicContact CG-CG1 3.84Å
80	D	62	Low	72.2	Confident	78 Å²	78	101.8 Å²	101.8	42%	0.417	51%	0.513	S	S	.	.			trans	-69.4	91.3	175	-172.3	-2.5	0	0	0	105.6	H78 Y82 D83 K151	H78-D80 VanDerWaalsContact C-N 3.29Å; H78-D80 PolarHBondContact O-N 2.83Å; D80-Y82 PolarHBondContact O-N 3.39Å; D80-Y82 WeakPolarHBondContact OD1-CB 3.21Å; D80-Y82 PolarHBondContact OD1-N 2.87Å; D80-D83 HydrophobicContact CB-CB 4.13Å; D80-D83 VanDerWaalsContact O-CB 3.32Å; D80-D83 WeakPolarHBondContact O-CB 3.41Å; D80-D83 PolarHBondContact O-N 2.88Å; D80-K151 VanDerWaalsContact CB-NZ 3.29Å
81	I	65.1	Low	73.2	Confident	150 Å²	150	101.6 Å²	101.6	77%	0.769	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.4	-179.7	-65.7	165.1	0	0	0	110.1	E79	E79-I81 PolarHBondContact O-N 2.83Å
82	Y	68.2	Low	74.2	Confident	207 Å²	207	99.5 Å²	99.5	81%	0.812	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.1	178.5	-55.1	-75	0	0	0	114.1	D80 P84	D80-Y82 PolarHBondContact O-N 3.39Å; D80-Y82 WeakPolarHBondContact OD1-CB 3.21Å; D80-Y82 PolarHBondContact OD1-N 2.87Å; Y82-P84 WeakPolarHBondContact O-CD 3.46Å
83	D	78.1	Confident	75.4	Confident	37 Å²	37	97.5 Å²	97.5	20%	0.198	49%	0.492	C	S	.	.			trans	-74	121.9	175.4	-160.6	-52.9	0	0	0	109.8	D80 R85 K151	D80-D83 HydrophobicContact CB-CB 4.13Å; D80-D83 VanDerWaalsContact O-CB 3.32Å; D80-D83 WeakPolarHBondContact O-CB 3.41Å; D80-D83 PolarHBondContact O-N 2.88Å; D83-R85 PolarHBondContact O-N 3.4Å; D83-R85 VanDerWaalsContact OD1-CB 3.26Å; D83-R85 WeakPolarHBondContact OD1-CB 3.46Å; D83-R85 VanDerWaalsContact OD1-CG 3.29Å; D83-R85 WeakPolarHBondContact OD1-CG 3.35Å; D83-R85 IonicContact OD1-CZ 3.78Å; D83-R85 PolarHBondContact OD1-N 2.86Å; D83-R85 IonicContact OD1-NE 2.88Å; D83-R85 PolarHBondContact OD1-NE 3.15Å; D83-R85 IonicContact OD1-NH2 3.79Å; D83-R85 IonicContact OD2-CZ 3.46Å; D83-R85 IonicContact OD2-NE 3.35Å; D83-R85 PolarHBondContact OD2-NE 2.83Å; D83-R85 IonicContact OD2-NH2 2.72Å; D83-R85 PolarHBondContact OD2-NH2 2.75Å; D83-K151 HydrophobicContact CB-CD 4.02Å; D83-K151 VanDerWaalsContact OD2-CD 3.29Å; D83-K151 WeakPolarHBondContact OD2-CD 3.24Å; D83-K151 IonicContact OD2-NZ 2.86Å; D83-K151 PolarHBondContact OD2-NZ 3.06Å
84	P	83.8	Confident	76.9	Confident	126 Å²	126	95.9 Å²	95.9	82%	0.818	47%	0.472	S	S	*	.			trans	-73.6	-8.5	-176.4	30.8	-36.6	0	0	0	113.1	Y82	Y82-P84 WeakPolarHBondContact O-CD 3.46Å
85	R	87.8	Confident	78.4	Confident	64 Å²	64	92.6 Å²	92.6	24%	0.242	46%	0.457	C	S	.	.	S	Bend	trans	-74.2	126.6	-176.5	-67.6	177.1	-68	172.6	-3.8	110.6	D83 A147 P148 K151	D83-R85 PolarHBondContact O-N 3.4Å; D83-R85 VanDerWaalsContact OD1-CB 3.26Å; D83-R85 WeakPolarHBondContact OD1-CB 3.46Å; D83-R85 VanDerWaalsContact OD1-CG 3.29Å; D83-R85 WeakPolarHBondContact OD1-CG 3.35Å; D83-R85 IonicContact OD1-CZ 3.78Å; D83-R85 PolarHBondContact OD1-N 2.86Å; D83-R85 IonicContact OD1-NE 2.88Å; D83-R85 PolarHBondContact OD1-NE 3.15Å; D83-R85 IonicContact OD1-NH2 3.79Å; D83-R85 IonicContact OD2-CZ 3.46Å; D83-R85 IonicContact OD2-NE 3.35Å; D83-R85 PolarHBondContact OD2-NE 2.83Å; D83-R85 IonicContact OD2-NH2 2.72Å; D83-R85 PolarHBondContact OD2-NH2 2.75Å; R85-A147 WeakPolarHBondContact CD-O 3.33Å; R85-A147 PolarHBondContact NH1-O 3.43Å; R85-P148 WeakPolarHBondContact CD-O 3.39Å; R85-K151 HydrophobicContact CB-CB 3.99Å
86	P	89.4	Confident	80.1	Confident	75 Å²	75	93.7 Å²	93.7	49%	0.487	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-65.9	152.7	176.1	27.4	-35.7	0	0	0	111.9	K149 Y150 K151	P86-K149 WeakPolarHBondContact CD-O 3.5Å; P86-Y150 HydrophobicContact CG-CD1 3.99Å; P86-Y150 HydrophobicContact CG-CE1 3.98Å; P86-K151 PolarHBondContact O-N 3.37Å
87	Q	89.8	Confident	81.7	Confident	106 Å²	106	91.3 Å²	91.3	50%	0.495	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-69.2	125.8	169.6	-167.8	177.2	16.9	0	0	109.8	Y90 K151 L152	Q87-Y90 VanDerWaalsContact NE2-CE1 3.27Å; Q87-K151 WeakPolarHBondContact CA-O 3.41Å; Q87-L152 HydrophobicContact CG-CD1 3.72Å; Q87-L152 VanDerWaalsContact NE2-CD1 3.29Å
88	P	91.9	Very high	83.3	Confident	6 Å²	6	91.9 Å²	91.9	4%	0.039	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-69.9	159.7	175.5	30.5	-33.9	0	0	0	110.7	Y90 V124 I125 L126 Y150 K151 L152	P88-Y90 PolarHBondContact O-N 2.86Å; P88-V124 HydrophobicContact CB-CG1 3.81Å; P88-V124 HydrophobicContact CG-CG1 3.52Å; P88-I125 WeakPolarHBondContact CB-O 3.27Å; P88-L126 HydrophobicContact CB-CD2 3.69Å; P88-L126 HydrophobicContact CG-CD2 3.97Å; P88-Y150 HydrophobicContact CB-CD1 3.96Å; P88-Y150 HydrophobicContact CB-CG 4.06Å; P88-K151 WeakPolarHBondContact CD-O 3.45Å; P88-L152 HydrophobicContact CG-CB 3.78Å; P88-L152 HydrophobicContact CG-CD2 4.49Å
89	K	94.1	Very high	84.9	Confident	169 Å²	169	88.6 Å²	88.6	74%	0.735	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	128.9	173.2	-69.3	-179.3	-179.3	176.4	0	108.9	I125	K89-I125 HydrophobicContact CB-CB 4.39Å; K89-I125 HydrophobicContact CB-CD1 4.22Å; K89-I125 PolarHBondContact O-N 3.12Å
90	Y	93.5	Very high	86.4	Confident	95 Å²	95	86.9 Å²	86.9	37%	0.373	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	154.1	176.8	68.6	-82.5	0	0	0	111.5	Q87 P88 I92 K123 L152 L154	Q87-Y90 VanDerWaalsContact NE2-CE1 3.27Å; P88-Y90 PolarHBondContact O-N 2.86Å; Y90-I92 HydrophobicContact CD2-CG1 4.19Å; Y90-I92 HydrophobicContact CE2-CD1 4.28Å; Y90-I92 HydrophobicContact CE2-CG1 4.28Å; Y90-K123 CarbonylContact C-O 3.55Å; Y90-K123 WeakPolarHBondContact CA-O 3.47Å; Y90-L152 HydrophobicContact CD1-CD1 3.78Å; Y90-L152 HydrophobicContact CD1-CD2 4.38Å; Y90-L152 HydrophobicContact CE1-CD1 3.99Å; Y90-L152 HydrophobicContact CG-CD1 4.38Å; Y90-L152 HydrophobicContact CG-CD2 4.26Å; Y90-L154 HydrophobicContact CD2-CD2 4.42Å; Y90-L154 HydrophobicContact CE2-CD1 3.82Å; Y90-L154 HydrophobicContact CE2-CD2 4.23Å
91	E	95.3	Very high	87.6	Confident	122 Å²	122	87.9 Å²	87.9	57%	0.57	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.5	175.3	-175.3	-178.1	-177	0	0	108.8	V93 V122 K123	E91-V93 HydrophobicContact CG-CG2 4.07Å; E91-V122 WeakPolarHBondContact O-CA 3.27Å; E91-K123 HydrophobicContact CB-CB 4.46Å; E91-K123 PolarHBondContact N-O 3.45Å; E91-K123 PolarHBondContact O-N 3.39Å
92	I	93.8	Very high	88.4	Confident	53 Å²	53	82 Å²	82	27%	0.272	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121	175.9	-53.1	179.6	0	0	0	108.1	Y90 Y94 M120 I121 V122 L154	Y90-I92 HydrophobicContact CD2-CG1 4.19Å; Y90-I92 HydrophobicContact CE2-CD1 4.28Å; Y90-I92 HydrophobicContact CE2-CG1 4.28Å; I92-Y94 HydrophobicContact CG2-CE2 4.06Å; I92-M120 HydrophobicContact CG2-CG 3.7Å; I92-M120 HydrophobicContact CG2-SD 4.05Å; I92-I121 WeakPolarHBondContact CA-O 3.33Å; I92-V122 HydrophobicContact CG1-CG2 4.33Å; I92-L154 HydrophobicContact CD1-CD2 4.08Å
93	V	93.8	Very high	89.3	Confident	49 Å²	49	76.1 Å²	76.1	30%	0.297	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.8	179.4	-177.3	0	0	0	0	108.7	E91 I121	E91-V93 HydrophobicContact CG-CG2 4.07Å; V93-I121 HydrophobicContact CB-CB 4.42Å; V93-I121 PolarHBondContact N-O 3.44Å; V93-I121 PolarHBondContact O-N 3.37Å
94	Y	93.1	Very high	89.8	Confident	72 Å²	72	83.5 Å²	83.5	28%	0.282	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.7	175.6	-66.8	-87.3	0	0	0	110.1	I92 T114 C117 M120	I92-Y94 HydrophobicContact CG2-CE2 4.06Å; Y94-T114 HydrophobicContact CD2-CG2 3.87Å; Y94-T114 HydrophobicContact CE2-CG2 4.26Å; Y94-T114 HydrophobicContact CG-CG2 4.13Å; Y94-C117 HydrophobicContact CD1-CB 4.28Å; Y94-C117 HydrophobicContact CG-CB 4.45Å; Y94-M120 HydrophobicContact CD1-CB 4.35Å; Y94-M120 HydrophobicContact CD1-CG 4.39Å; Y94-M120 HydrophobicContact CE1-CB 4.22Å; Y94-M120 HydrophobicContact CE1-CE 3.66Å; Y94-M120 HydrophobicContact CE1-CG 3.98Å
95	Q	92.6	Very high	89.9	Confident	100 Å²	100	82.9 Å²	82.9	47%	0.467	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.5	178.4	177.3	177.8	-27.5	0	0	110.2	E118 Y119 I121	Q95-E118 PolarHBondContact O-N 2.79Å; Q95-Y119 PolarHBondContact N-O 2.9Å; Q95-Y119 PolarHBondContact O-N 3.46Å; Q95-Y119 VanDerWaalsContact O-N 3.08Å; Q95-I121 HydrophobicContact CB-CD1 3.95Å; Q95-I121 VanDerWaalsContact OE1-CD1 3.29Å
96	Q	90.7	Very high	89.5	Confident	50 Å²	50	87.7 Å²	87.7	23%	0.234	45%	0.445	C	S	.	.			trans	-105.3	132.8	176.2	-172.9	-179.5	-20.9	0	0	110.2	V98 K110 N111 E118	Q96-V98 HydrophobicContact CG-CG1 3.84Å; Q96-V98 PolarHBondContact O-N 2.82Å; Q96-K110 VanDerWaalsContact NE2-CB 3.25Å; Q96-N111 PolarHBondContact OE1-O 3.46Å; Q96-E118 VanDerWaalsContact CA-OE2 3.26Å; Q96-E118 WeakPolarHBondContact CA-OE2 3.4Å
97	A	87.7	Confident	89.2	Confident	42 Å²	42	89.3 Å²	89.3	35%	0.347	45%	0.449	S	S	.	.			trans	-84	104.9	169.6	0	0	0	0	0	108.8	K110 E118 Y119	A97-K110 PolarHBondContact O-NZ 3.25Å; A97-E118 HydrophobicContact CB-CG 4.39Å; A97-E118 PolarHBondContact N-OE2 3.46Å; A97-Y119 HydrophobicContact CB-CE2 4.4Å
98	V	87.4	Confident	88.8	Confident	79 Å²	79	85.4 Å²	85.4	48%	0.479	44%	0.436	S	S	.	.			trans	-106.4	136.5	177	-65.8	0	0	0	0	110.8	Q96 D102 V103	Q96-V98 HydrophobicContact CG-CG1 3.84Å; Q96-V98 PolarHBondContact O-N 2.82Å; V98-D102 HydrophobicContact CB-CB 4.35Å; V98-V103 HydrophobicContact CB-CG2 4.02Å; V98-V103 HydrophobicContact CG2-CG2 3.86Å
99	T	87.4	Confident	88.3	Confident	75 Å²	75	93.5 Å²	93.5	46%	0.46	47%	0.466	S	S	.	.			trans	-92.1	167.2	172.8	66.8	0	0	0	0	110.7	E101 D102 V103	T99-E101 PolarHBondContact O-N 3.34Å; T99-E101 PolarHBondContact OG1-N 3.41Å; T99-D102 PolarHBondContact N-OD2 2.72Å; T99-D102 PolarHBondContact O-N 2.81Å; T99-D102 PolarHBondContact OG1-N 2.81Å; T99-D102 PolarHBondContact OG1-OD2 3.27Å; T99-V103 WeakPolarHBondContact O-CG2 3.49Å; T99-V103 PolarHBondContact O-N 2.96Å; T99-V103 VanDerWaalsContact O-N 3.15Å
100	A	89.1	Confident	87.8	Confident	69 Å²	69	87.7 Å²	87.7	57%	0.57	44%	0.441	S	S	*	.	H	α-helix	trans	-60.8	-29.9	174.1	0	0	0	0	0	112.2	V103 Y104	A100-V103 PolarHBondContact O-N 2.94Å; A100-Y104 HydrophobicContact CB-CD2 4.15Å; A100-Y104 WeakPolarHBondContact O-CB 3.41Å; A100-Y104 WeakPolarHBondContact O-CD2 3.47Å; A100-Y104 PolarHBondContact O-N 2.65Å
101	E	87.1	Confident	87.4	Confident	100 Å²	100	86.3 Å²	86.3	47%	0.467	44%	0.44	S	S	.	.	I	π-helix	trans	-66.9	-43.1	176.2	176.6	168.8	-175.3	0	0	111.8	T99 V103 L105 Q106 L107	T99-E101 PolarHBondContact O-N 3.34Å; T99-E101 PolarHBondContact OG1-N 3.41Å; E101-V103 VanDerWaalsContact C-N 3.32Å; E101-V103 PolarHBondContact O-N 3.44Å; E101-L105 CarbonylContact O-C 3.52Å; E101-L105 WeakPolarHBondContact O-CA 3.34Å; E101-L105 WeakPolarHBondContact O-CB 3.44Å; E101-L105 PolarHBondContact O-N 2.84Å; E101-Q106 PolarHBondContact O-N 2.85Å; E101-L107 HydrophobicContact CG-CB 3.63Å; E101-L107 HydrophobicContact CG-CD1 4.01Å; E101-L107 HydrophobicContact CG-CG 4.23Å; E101-L107 WeakPolarHBondContact OE1-CB 3.36Å; E101-L107 VanDerWaalsContact OE1-CD1 3.27Å; E101-L107 WeakPolarHBondContact OE1-CD1 3.48Å
102	D	83.1	Confident	86.9	Confident	27 Å²	27	86.9 Å²	86.9	14%	0.144	45%	0.454	C	S	.	.	I	π-helix	trans	-61	-42.5	174.8	-56	-38.2	0	0	0	111.3	V98 T99 G108	V98-D102 HydrophobicContact CB-CB 4.35Å; T99-D102 PolarHBondContact N-OD2 2.72Å; T99-D102 PolarHBondContact O-N 2.81Å; T99-D102 PolarHBondContact OG1-N 2.81Å; T99-D102 PolarHBondContact OG1-OD2 3.27Å; D102-G108 WeakPolarHBondContact OD1-CA 3.38Å
103	V	85.6	Confident	86.5	Confident	83 Å²	83	87.4 Å²	87.4	50%	0.503	46%	0.46	S	S	.	.	I	π-helix	trans	-79.4	-46.1	-173.2	177	0	0	0	0	112.5	V98 T99 A100 E101	V98-V103 HydrophobicContact CB-CG2 4.02Å; V98-V103 HydrophobicContact CG2-CG2 3.86Å; T99-V103 WeakPolarHBondContact O-CG2 3.49Å; T99-V103 PolarHBondContact O-N 2.96Å; T99-V103 VanDerWaalsContact O-N 3.15Å; A100-V103 PolarHBondContact O-N 2.94Å; E101-V103 VanDerWaalsContact C-N 3.32Å; E101-V103 PolarHBondContact O-N 3.44Å
104	Y	89	Confident	86	Confident	191 Å²	191	89.3 Å²	89.3	75%	0.749	47%	0.472	S	S	*	.	I	π-helix	trans	-99.5	-32.1	-170.4	-68	-74.2	0	0	0	113.8	A100	A100-Y104 HydrophobicContact CB-CD2 4.15Å; A100-Y104 WeakPolarHBondContact O-CB 3.41Å; A100-Y104 WeakPolarHBondContact O-CD2 3.47Å; A100-Y104 PolarHBondContact O-N 2.65Å
105	L	86.8	Confident	85.6	Confident	114 Å²	114	88.9 Å²	88.9	60%	0.597	48%	0.483	S	S	*	.	I	π-helix	trans	-106.3	-13.8	-175.9	-55.8	-179.8	0	0	0	112.8	E101 L107	E101-L105 CarbonylContact O-C 3.52Å; E101-L105 WeakPolarHBondContact O-CA 3.34Å; E101-L105 WeakPolarHBondContact O-CB 3.44Å; E101-L105 PolarHBondContact O-N 2.84Å; L105-L107 HydrophobicContact CB-CD1 3.85Å; L105-L107 HydrophobicContact CB-CG 3.72Å; L105-L107 HydrophobicContact CD1-CD1 3.9Å; L105-L107 PolarHBondContact O-N 2.97Å; L105-L107 VanDerWaalsContact O-N 3.12Å
106	Q	79.1	Confident	85.2	Confident	165 Å²	165	84.2 Å²	84.2	77%	0.771	46%	0.462	S	S	*	.			trans	53	29.6	-176.8	-56.5	176	10	0	0	112.5	E101	E101-Q106 PolarHBondContact O-N 2.85Å
107	L	83.6	Confident	85.1	Confident	109 Å²	109	82.4 Å²	82.4	57%	0.571	45%	0.454	S	S	*	.			trans	-83	-19.9	177.9	-61.6	175	0	0	0	111.7	E101 L105	E101-L107 HydrophobicContact CG-CB 3.63Å; E101-L107 HydrophobicContact CG-CD1 4.01Å; E101-L107 HydrophobicContact CG-CG 4.23Å; E101-L107 WeakPolarHBondContact OE1-CB 3.36Å; E101-L107 VanDerWaalsContact OE1-CD1 3.27Å; E101-L107 WeakPolarHBondContact OE1-CD1 3.48Å; L105-L107 HydrophobicContact CB-CD1 3.85Å; L105-L107 HydrophobicContact CB-CG 3.72Å; L105-L107 HydrophobicContact CD1-CD1 3.9Å; L105-L107 PolarHBondContact O-N 2.97Å; L105-L107 VanDerWaalsContact O-N 3.12Å
108	G	79.6	Confident	85.2	Confident	23 Å²	23	81.3 Å²	81.3	24%	0.237	44%	0.442	C	S	.	.	S	Bend	trans	-63.1	148.3	171.2	0	0	0	0	0	113.2	D102 K110	D102-G108 WeakPolarHBondContact OD1-CA 3.38Å; G108-K110 VanDerWaalsContact C-N 3.29Å
109	R	81.4	Confident	85.5	Confident	176 Å²	176	81.5 Å²	81.5	66%	0.664	44%	0.435	S	S	*	.			trans	-88.9	2.4	173.7	-68.4	173	177	171	5.3	113.3	I189	R109-I189 WeakPolarHBondContact CD-O 3.27Å
110	K	85.4	Confident	85.8	Confident	47 Å²	47	77.9 Å²	77.9	20%	0.204	41%	0.413	C	S	.	.			trans	-71.9	142.7	-179.7	-49.1	-170.3	-176.1	-161.2	0	110.6	Q96 A97 G108 C116 E118 N190	Q96-K110 VanDerWaalsContact NE2-CB 3.25Å; A97-K110 PolarHBondContact O-NZ 3.25Å; G108-K110 VanDerWaalsContact C-N 3.29Å; K110-C116 HydrophobicContact CB-CB 4.4Å; K110-E118 IonicContact NZ-OE1 2.76Å; K110-E118 PolarHBondContact NZ-OE1 3.41Å; K110-N190 WeakPolarHBondContact CE-O 3.43Å; K110-N190 WeakPolarHBondContact CG-O 3.46Å
111	N	83.8	Confident	86	Confident	67 Å²	67	75.3 Å²	75.3	36%	0.358	39%	0.389	S	S	.	.			trans	-122.1	165.9	177.2	67.1	39.2	0	0	0	109.6	Q96 T113 C116	Q96-N111 PolarHBondContact OE1-O 3.46Å; N111-T113 PolarHBondContact O-N 2.62Å; N111-T113 VanDerWaalsContact OD1-CB 3.23Å; N111-T113 WeakPolarHBondContact OD1-CB 3.49Å; N111-T113 WeakPolarHBondContact OD1-CG2 3.32Å; N111-T113 PolarHBondContact OD1-N 2.62Å; N111-T113 PolarHBondContact OD1-OG1 2.81Å; N111-C116 PolarHBondContact N-SG 2.81Å; N111-C116 VanDerWaalsContact N-SG 3.35Å; N111-C116 VanDerWaalsContact O-CB 3.24Å; N111-C116 WeakPolarHBondContact O-CB 3.35Å; N111-C116 PolarHBondContact OD1-SG 2.8Å
112	P	84.1	Confident	86.4	Confident	133 Å²	133	70.5 Å²	70.5	86%	0.864	37%	0.367	S	S	*	.	S	Bend	trans	-78.1	16.8	-178.1	32.3	-36.5	0	0	0	113.7
113	T	85.8	Confident	87	Confident	65 Å²	65	72.1 Å²	72.1	40%	0.399	37%	0.373	S	S	.	.	S	Bend	trans	-87.9	157	178.2	76.9	0	0	0	0	110.9	N111 A115 C116	N111-T113 PolarHBondContact O-N 2.62Å; N111-T113 VanDerWaalsContact OD1-CB 3.23Å; N111-T113 WeakPolarHBondContact OD1-CB 3.49Å; N111-T113 WeakPolarHBondContact OD1-CG2 3.32Å; N111-T113 PolarHBondContact OD1-N 2.62Å; N111-T113 PolarHBondContact OD1-OG1 2.81Å; T113-A115 PolarHBondContact O-N 2.77Å; T113-A115 VanDerWaalsContact O-N 3.1Å; T113-A115 PolarHBondContact OG1-N 3.03Å; T113-C116 PolarHBondContact O-N 2.86Å
114	T	84.9	Confident	87.4	Confident	88 Å²	88	68.2 Å²	68.2	54%	0.54	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-60.1	-20.7	176.1	50.9	0	0	0	0	113.2	Y94 C116 C117	Y94-T114 HydrophobicContact CD2-CG2 3.87Å; Y94-T114 HydrophobicContact CE2-CG2 4.26Å; Y94-T114 HydrophobicContact CG-CG2 4.13Å; T114-C116 PolarHBondContact O-N 2.83Å; T114-C117 PolarHBondContact O-N 2.74Å
115	A	82.7	Confident	87.7	Confident	63 Å²	63	62.7 Å²	62.7	52%	0.521	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-63.6	-30.5	174.2	0	0	0	0	0	112.1	T113 R184	T113-A115 PolarHBondContact O-N 2.77Å; T113-A115 VanDerWaalsContact O-N 3.1Å; T113-A115 PolarHBondContact OG1-N 3.03Å; A115-R184 VanDerWaalsContact O-CD 3.3Å; A115-R184 WeakPolarHBondContact O-CD 3.36Å; A115-R184 PolarHBondContact O-NH1 3.28Å
116	C	85.1	Confident	87.9	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.014	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-90.8	-0.3	177.9	-71.6	0	0	0	0	113.9	K110 N111 T113 T114 E118 R184	K110-C116 HydrophobicContact CB-CB 4.4Å; N111-C116 PolarHBondContact N-SG 2.81Å; N111-C116 VanDerWaalsContact N-SG 3.35Å; N111-C116 VanDerWaalsContact O-CB 3.24Å; N111-C116 WeakPolarHBondContact O-CB 3.35Å; N111-C116 PolarHBondContact OD1-SG 2.8Å; T113-C116 PolarHBondContact O-N 2.86Å; T114-C116 PolarHBondContact O-N 2.83Å; C116-E118 PolarHBondContact O-N 2.91Å; C116-R184 PolarHBondContact O-NH1 3.45Å
117	C	89.5	Confident	88.4	Confident	12 Å²	12	51.2 Å²	51.2	8%	0.081	28%	0.278	C	S	.	.			trans	-80.7	114.7	173.3	-58.2	0	0	0	0	113.1	Y94 T114 Y119 N182 R184	Y94-C117 HydrophobicContact CD1-CB 4.28Å; Y94-C117 HydrophobicContact CG-CB 4.45Å; T114-C117 PolarHBondContact O-N 2.74Å; C117-Y119 VanDerWaalsContact C-N 3.32Å; C117-Y119 PolarHBondContact O-N 3Å; C117-N182 PolarHBondContact O-ND2 2.99Å; C117-R184 PolarHBondContact O-NH1 3.47Å
118	E	89.8	Confident	88.5	Confident	20 Å²	20	51.8 Å²	51.8	9%	0.093	28%	0.282	C	S	.	.			trans	-66	-33.6	177.1	-64.5	72.6	-172	0	0	112.2	Q95 Q96 A97 K110 C116 N182 R184	Q95-E118 PolarHBondContact O-N 2.79Å; Q96-E118 VanDerWaalsContact CA-OE2 3.26Å; Q96-E118 WeakPolarHBondContact CA-OE2 3.4Å; A97-E118 HydrophobicContact CB-CG 4.39Å; A97-E118 PolarHBondContact N-OE2 3.46Å; K110-E118 IonicContact NZ-OE1 2.76Å; K110-E118 PolarHBondContact NZ-OE1 3.41Å; C116-E118 PolarHBondContact O-N 2.91Å; E118-N182 PolarHBondContact O-N 2.93Å; E118-R184 IonicContact OE1-NH2 3.77Å
119	Y	92.8	Very high	88.9	Confident	82 Å²	82	51.4 Å²	51.4	32%	0.322	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.9	-171.9	-58.4	-79.2	0	0	0	111.8	Q95 A97 C117 T179 M180 K181	Q95-Y119 PolarHBondContact N-O 2.9Å; Q95-Y119 PolarHBondContact O-N 3.46Å; Q95-Y119 VanDerWaalsContact O-N 3.08Å; A97-Y119 HydrophobicContact CB-CE2 4.4Å; C117-Y119 VanDerWaalsContact C-N 3.32Å; C117-Y119 PolarHBondContact O-N 3Å; Y119-T179 HydrophobicContact CD1-CG2 4.04Å; Y119-T179 HydrophobicContact CG-CG2 4.41Å; Y119-M180 CarbonylContact C-O 3.57Å; Y119-M180 WeakPolarHBondContact CA-O 3.35Å; Y119-K181 HydrophobicContact CD1-CB 4.21Å; Y119-K181 HydrophobicContact CE1-CB 4.18Å; Y119-K181 HydrophobicContact CE1-CG 4.28Å
120	M	93.1	Very high	89	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.8	167.6	-175.1	-170	-65	0	0	108.3	I92 Y94 L156 P157 N158 M180 N182	I92-M120 HydrophobicContact CG2-CG 3.7Å; I92-M120 HydrophobicContact CG2-SD 4.05Å; Y94-M120 HydrophobicContact CD1-CB 4.35Å; Y94-M120 HydrophobicContact CD1-CG 4.39Å; Y94-M120 HydrophobicContact CE1-CB 4.22Å; Y94-M120 HydrophobicContact CE1-CE 3.66Å; Y94-M120 HydrophobicContact CE1-CG 3.98Å; M120-L156 HydrophobicContact SD-CD2 4.32Å; M120-P157 HydrophobicContact CE-CB 4.4Å; M120-P157 HydrophobicContact CE-CG 4.22Å; M120-N158 HydrophobicContact CE-CB 4.43Å; M120-M180 PolarHBondContact N-O 3.22Å; M120-M180 PolarHBondContact O-N 3.35Å; M120-M180 HydrophobicContact SD-CE 4.25Å; M120-N182 WeakPolarHBondContact CE-OD1 3.4Å
121	I	94.4	Very high	89.1	Confident	14 Å²	14	51.7 Å²	51.7	7%	0.072	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.8	-178.6	-55.8	173.9	0	0	0	108.2	I92 V93 Q95 K123 E177 I178 T179	I92-I121 WeakPolarHBondContact CA-O 3.33Å; V93-I121 HydrophobicContact CB-CB 4.42Å; V93-I121 PolarHBondContact N-O 3.44Å; V93-I121 PolarHBondContact O-N 3.37Å; Q95-I121 HydrophobicContact CB-CD1 3.95Å; Q95-I121 VanDerWaalsContact OE1-CD1 3.29Å; I121-K123 HydrophobicContact CG2-CG 4.13Å; I121-E177 HydrophobicContact CG2-CB 4.49Å; I121-I178 CarbonylContact C-O 3.56Å; I121-I178 VanDerWaalsContact CA-O 3.27Å; I121-I178 WeakPolarHBondContact CA-O 3.24Å; I121-T179 HydrophobicContact CG1-CG2 4.14Å
122	V	95.1	Very high	89.2	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.3	174.2	-176.7	0	0	0	0	108.2	E91 I92 V124 L143 L154 I178 M180	E91-V122 WeakPolarHBondContact O-CA 3.27Å; I92-V122 HydrophobicContact CG1-CG2 4.33Å; V122-V124 HydrophobicContact CG1-CG2 3.82Å; V122-L143 HydrophobicContact CB-CD2 4.21Å; V122-L143 HydrophobicContact CG1-CD2 4.13Å; V122-L143 HydrophobicContact CG2-CD2 4.17Å; V122-L154 HydrophobicContact CG1-CD2 4.42Å; V122-L154 HydrophobicContact CG2-CD2 4.45Å; V122-I178 HydrophobicContact CB-CB 4.47Å; V122-I178 PolarHBondContact N-O 3.29Å; V122-I178 PolarHBondContact O-N 2.71Å; V122-M180 HydrophobicContact CB-CE 4.33Å; V122-M180 HydrophobicContact CG2-CE 3.45Å; V122-M180 VanDerWaalsContact CG2-CE 3.45Å
123	K	95.4	Very high	89.3	Confident	61 Å²	61	50.1 Å²	50.1	27%	0.265	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	114.5	177.1	-57.1	-168.3	178.7	-153.9	0	108.7	Y90 E91 I121 T175 L176 E177	Y90-K123 CarbonylContact C-O 3.55Å; Y90-K123 WeakPolarHBondContact CA-O 3.47Å; E91-K123 HydrophobicContact CB-CB 4.46Å; E91-K123 PolarHBondContact N-O 3.45Å; E91-K123 PolarHBondContact O-N 3.39Å; I121-K123 HydrophobicContact CG2-CG 4.13Å; K123-T175 HydrophobicContact CB-CG2 4.03Å; K123-L176 CarbonylContact C-O 3.6Å; K123-L176 WeakPolarHBondContact CA-O 3.21Å; K123-E177 HydrophobicContact CD-CG 4.37Å; K123-E177 WeakPolarHBondContact CD-OE1 3.48Å; K123-E177 WeakPolarHBondContact CE-OE1 3.05Å; K123-E177 HydrophobicContact CG-CG 4.09Å; K123-E177 IonicContact NZ-OE1 3.43Å; K123-E177 PolarHBondContact NZ-OE1 2.81Å
124	V	95.2	Very high	89.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.8	-178.2	-169.3	0	0	0	0	109	P88 V122 L126 L145 L152 T175 L176 I178	P88-V124 HydrophobicContact CB-CG1 3.81Å; P88-V124 HydrophobicContact CG-CG1 3.52Å; V122-V124 HydrophobicContact CG1-CG2 3.82Å; V124-L126 HydrophobicContact CG1-CD2 3.96Å; V124-L126 HydrophobicContact CG1-CG 4.01Å; V124-L145 HydrophobicContact CB-CD1 4.14Å; V124-L145 HydrophobicContact CG1-CD1 4.1Å; V124-L145 HydrophobicContact CG2-CD1 4.02Å; V124-L152 HydrophobicContact CG1-CD2 4.03Å; V124-L152 HydrophobicContact CG2-CD2 3.63Å; V124-T175 CarbonylContact O-C 3.47Å; V124-T175 WeakPolarHBondContact O-CA 3.14Å; V124-L176 PolarHBondContact N-O 2.95Å; V124-L176 PolarHBondContact O-N 3.27Å; V124-I178 HydrophobicContact CG2-CD1 4.23Å
125	I	94.1	Very high	89.8	Confident	76 Å²	76	48.5 Å²	48.5	39%	0.39	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.2	178.7	-56.3	170.3	0	0	0	107.9	P88 K89	P88-I125 WeakPolarHBondContact CB-O 3.27Å; K89-I125 HydrophobicContact CB-CB 4.39Å; K89-I125 HydrophobicContact CB-CD1 4.22Å; K89-I125 PolarHBondContact O-N 3.12Å
126	L	92	Very high	90.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.257	C	S	.	.			trans	-127	79.4	-176	-64.6	174.1	0	0	0	109.6	P88 V124 V134 L145 Y150 W169 E174 L176	P88-L126 HydrophobicContact CB-CD2 3.69Å; P88-L126 HydrophobicContact CG-CD2 3.97Å; V124-L126 HydrophobicContact CG1-CD2 3.96Å; V124-L126 HydrophobicContact CG1-CG 4.01Å; L126-V134 HydrophobicContact CD1-CG2 4.21Å; L126-L145 HydrophobicContact CD1-CD1 4.24Å; L126-L145 HydrophobicContact CD1-CD2 4.11Å; L126-L145 HydrophobicContact CD2-CD2 4.22Å; L126-Y150 HydrophobicContact CD2-CD2 3.9Å; L126-Y150 HydrophobicContact CD2-CG 4.01Å; L126-W169 HydrophobicContact CB-CH2 3.92Å; L126-W169 HydrophobicContact CB-CZ3 4.09Å; L126-W169 HydrophobicContact CD1-CZ3 4.14Å; L126-E174 CarbonylContact C-O 3.56Å; L126-E174 PolarHBondContact N-O 3.1Å; L126-L176 HydrophobicContact CD1-CB 4.37Å
127	P	89.3	Confident	90.6	Very high	38 Å²	38	51.4 Å²	51.4	25%	0.247	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	149.4	-178.8	30.1	-35	0	0	0	111.1	T129 Y150 E174	P127-T129 PolarHBondContact O-N 2.91Å; P127-T129 VanDerWaalsContact O-N 3.1Å; P127-T129 PolarHBondContact O-OG1 3.23Å; P127-T129 VanDerWaalsContact O-OG1 3.06Å; P127-Y150 HydrophobicContact CG-CE2 4.06Å; P127-Y150 WeakPolarHBondContact CG-OH 3.5Å; P127-E174 WeakPolarHBondContact CA-OE2 3.37Å
128	D	85.9	Confident	90.6	Very high	121 Å²	121	51.9 Å²	51.9	65%	0.647	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	35.7	176.1	-56.9	-52.9	0	0	0	113.7	K149 E174	D128-K149 PolarHBondContact O-NZ 3.12Å; D128-E174 PolarHBondContact N-OE1 3.44Å
129	T	86.5	Confident	90.7	Very high	14 Å²	14	54.3 Å²	54.3	9%	0.086	29%	0.287	C	S	.	.			trans	-122.9	132.6	-178.1	-58.1	0	0	0	0	109.2	P127 V134 A147	P127-T129 PolarHBondContact O-N 2.91Å; P127-T129 VanDerWaalsContact O-N 3.1Å; P127-T129 PolarHBondContact O-OG1 3.23Å; P127-T129 VanDerWaalsContact O-OG1 3.06Å; T129-V134 HydrophobicContact CG2-CG2 3.72Å; T129-A147 HydrophobicContact CG2-CB 3.93Å
130	Q	85.2	Confident	90.6	Very high	134 Å²	134	54.5 Å²	54.5	63%	0.626	29%	0.291	S	S	*	.			trans	-88.1	142.5	175.6	-69.1	-174.7	71.7	0	0	110.4	S132 D133	Q130-S132 PolarHBondContact O-N 3.41Å; Q130-D133 PolarHBondContact O-N 2.87Å; Q130-D133 VanDerWaalsContact O-N 3.08Å
131	L	85.8	Confident	90.5	Very high	96 Å²	96	57.7 Å²	57.7	50%	0.503	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-58.5	-32.1	179.2	-178	60.1	0	0	0	112.9	D133 V134 W169 L176	L131-D133 PolarHBondContact O-N 3.08Å; L131-V134 PolarHBondContact O-N 3.15Å; L131-W169 HydrophobicContact CB-CG 4.38Å; L131-W169 HydrophobicContact CD1-CB 3.84Å; L131-W169 HydrophobicContact CD1-CD2 4.44Å; L131-W169 HydrophobicContact CD1-CG 4.12Å; L131-W169 HydrophobicContact CD2-CB 3.87Å; L131-W169 HydrophobicContact CD2-CG 4.27Å; L131-W169 HydrophobicContact CG-CB 4.37Å; L131-W169 HydrophobicContact CG-CG 4.49Å; L131-L176 HydrophobicContact CD1-CD1 4.49Å
132	S	86.8	Confident	90.3	Very high	93 Å²	93	57.2 Å²	57.2	65%	0.65	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-61.5	-27.3	177.8	54.8	0	0	0	0	113.8	Q130	Q130-S132 PolarHBondContact O-N 3.41Å
133	D	86.8	Confident	90.2	Very high	73 Å²	73	57.2 Å²	57.2	39%	0.39	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-96.3	-2.8	-173	-53.7	-19.3	0	0	0	111.7	Q130 L131 P148	Q130-D133 PolarHBondContact O-N 2.87Å; Q130-D133 VanDerWaalsContact O-N 3.08Å; L131-D133 PolarHBondContact O-N 3.08Å; D133-P148 HydrophobicContact CB-CG 3.64Å
134	V	90	Very high	90	Very high	24 Å²	24	54.6 Å²	54.6	15%	0.145	30%	0.297	C	S	.	.			trans	-90	117.1	179.8	-176.9	0	0	0	0	109.3	L126 T129 L131 L145 A147 L176	L126-V134 HydrophobicContact CD1-CG2 4.21Å; T129-V134 HydrophobicContact CG2-CG2 3.72Å; L131-V134 PolarHBondContact O-N 3.15Å; V134-L145 HydrophobicContact CG1-CD2 4.47Å; V134-L145 HydrophobicContact CG1-CG 4.2Å; V134-A147 HydrophobicContact CG2-CB 4.4Å; V134-L176 HydrophobicContact CG1-CD2 4.21Å
135	V	91.3	Very high	89.8	Confident	95 Å²	95	54.6 Å²	54.6	58%	0.576	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.5	169.9	-178.5	0	0	0	0	107.9	L145 R146	V135-L145 WeakPolarHBondContact O-CA 3.17Å; V135-R146 HydrophobicContact CB-CB 4.37Å; V135-R146 PolarHBondContact N-O 2.8Å; V135-R146 PolarHBondContact O-N 3.49Å
136	L	91.8	Very high	89.6	Confident	57 Å²	57	55.6 Å²	55.6	30%	0.298	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.5	178.8	-178.6	68.1	0	0	0	109.2	V138 L143 L145 A167 I178	L136-V138 HydrophobicContact CD1-CG2 4.5Å; L136-V138 HydrophobicContact CD2-CG2 4.25Å; L136-V138 HydrophobicContact CG-CG2 4.09Å; L136-L143 HydrophobicContact CD1-CD1 3.81Å; L136-L145 HydrophobicContact CD1-CB 4.05Å; L136-L145 HydrophobicContact CD1-CD1 4.46Å; L136-L145 HydrophobicContact CD1-CG 4.46Å; L136-A167 HydrophobicContact CD2-CB 3.74Å; L136-I178 HydrophobicContact CD1-CD1 3.8Å; L136-I178 HydrophobicContact CD1-CG1 4.45Å; L136-I178 HydrophobicContact CD2-CD1 4.32Å; L136-I178 HydrophobicContact CD2-CG1 4.07Å; L136-I178 HydrophobicContact CD2-CG2 4.3Å
137	D	91	Very high	89.5	Confident	70 Å²	70	55.8 Å²	55.8	37%	0.374	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.4	172.3	-177.3	27.1	0	0	0	109.1	K139 D144	D137-K139 WeakPolarHBondContact OD2-CE 3.4Å; D137-K139 IonicContact OD2-NZ 3.94Å; D137-D144 HydrophobicContact CB-CB 4.28Å; D137-D144 PolarHBondContact N-O 2.98Å; D137-D144 PolarHBondContact O-N 2.8Å
138	V	91.1	Very high	89.4	Confident	22 Å²	22	58 Å²	58	13%	0.133	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.2	-177.6	-174.4	0	0	0	0	108	L136 L143 V160 P162 M180	L136-V138 HydrophobicContact CD1-CG2 4.5Å; L136-V138 HydrophobicContact CD2-CG2 4.25Å; L136-V138 HydrophobicContact CG-CG2 4.09Å; V138-L143 HydrophobicContact CB-CD1 4.45Å; V138-L143 HydrophobicContact CG1-CD1 4.5Å; V138-L143 HydrophobicContact CG2-CD1 3.75Å; V138-V160 HydrophobicContact CG1-CG2 4.34Å; V138-P162 HydrophobicContact CG1-CB 4.41Å; V138-P162 WeakPolarHBondContact O-CB 3.43Å; V138-M180 HydrophobicContact CG1-CG 4.24Å; V138-M180 HydrophobicContact CG1-SD 3.91Å
139	K	91.3	Very high	89.6	Confident	71 Å²	71	57 Å²	57	31%	0.309	30%	0.302	S	S	.	.			trans	-111.8	170.3	173.4	-59.1	-175	-179.9	-176.8	0	109.7	D137 T141 F142 V160	D137-K139 WeakPolarHBondContact OD2-CE 3.4Å; D137-K139 IonicContact OD2-NZ 3.94Å; K139-T141 VanDerWaalsContact C-N 3.29Å; K139-T141 PolarHBondContact O-N 3.08Å; K139-F142 WeakPolarHBondContact CA-O 3.38Å; K139-F142 HydrophobicContact CB-CB 4.2Å; K139-F142 WeakPolarHBondContact CB-O 3.22Å; K139-F142 PolarHBondContact N-O 2.89Å; K139-V160 WeakPolarHBondContact O-CG2 3.45Å
140	E	90.8	Very high	89.8	Confident	85 Å²	85	58.7 Å²	58.7	40%	0.397	31%	0.307	S	S	.	.	S	Bend	trans	-56.4	-40.5	-176.7	-176.7	168.1	-160.9	0	0	112.9	P159 V160 K183	E140-P159 HydrophobicContact CG-CB 3.76Å; E140-P159 CarbonylContact O-C 3.48Å; E140-P159 WeakPolarHBondContact O-CA 3.41Å; E140-V160 WeakPolarHBondContact CA-O 3.4Å; E140-V160 PolarHBondContact O-N 3.44Å; E140-K183 WeakPolarHBondContact OE1-CD 3.13Å; E140-K183 IonicContact OE1-NZ 2.91Å; E140-K183 PolarHBondContact OE1-NZ 3.49Å
141	T	90.6	Very high	90	Very high	68 Å²	68	53.5 Å²	53.5	42%	0.417	28%	0.282	S	S	.	.	S	Bend	trans	-120.5	6.9	-177.4	55.4	0	0	0	0	113.5	K139 L156 P159	K139-T141 VanDerWaalsContact C-N 3.29Å; K139-T141 PolarHBondContact O-N 3.08Å; T141-L156 PolarHBondContact O-N 2.84Å; T141-P159 HydrophobicContact CG2-CB 4.4Å
142	F	90.7	Very high	90.3	Very high	3 Å²	3	49 Å²	49	1%	0.013	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	137.1	-168	-167.3	-97.5	0	0	0	111.7	Q77 K139 D144 V153 Y155	Q77-F142 HydrophobicContact CB-CE2 4.11Å; Q77-F142 HydrophobicContact CB-CZ 4.2Å; Q77-F142 WeakPolarHBondContact O-CE2 3.07Å; K139-F142 WeakPolarHBondContact CA-O 3.38Å; K139-F142 HydrophobicContact CB-CB 4.2Å; K139-F142 WeakPolarHBondContact CB-O 3.22Å; K139-F142 PolarHBondContact N-O 2.89Å; F142-D144 HydrophobicContact CD1-CB 4.29Å; F142-D144 HydrophobicContact CE1-CB 3.89Å; F142-V153 HydrophobicContact CD2-CG1 4.47Å; F142-V153 HydrophobicContact CE1-CG1 4.06Å; F142-V153 HydrophobicContact CE2-CG1 3.33Å; F142-V153 HydrophobicContact CZ-CB 4.18Å; F142-V153 HydrophobicContact CZ-CG1 3.1Å; F142-V153 HydrophobicContact CZ-CG2 4.2Å; F142-Y155 AromaticContact CD2-CD1 3.88Å; F142-Y155 HydrophobicContact CD2-CD1 3.88Å; F142-Y155 HydrophobicContact CD2-CD2 4.48Å; F142-Y155 AromaticContact CD2-CE1 3.73Å; F142-Y155 HydrophobicContact CD2-CE1 3.73Å; F142-Y155 HydrophobicContact CD2-CE2 4.33Å; F142-Y155 HydrophobicContact CD2-CG 4.26Å; F142-Y155 AromaticContact CD2-CZ 3.96Å; F142-Y155 HydrophobicContact CE2-CD1 4.39Å; F142-Y155 HydrophobicContact CE2-CD2 4.34Å; F142-Y155 AromaticContact CE2-CE1 3.97Å; F142-Y155 HydrophobicContact CE2-CE1 3.97Å; F142-Y155 AromaticContact CE2-CE2 3.89Å; F142-Y155 HydrophobicContact CE2-CE2 3.89Å; F142-Y155 AromaticContact CE2-CZ 3.69Å
143	L	91.8	Very high	90.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.7	177.7	-179.8	68.3	0	0	0	108.8	V122 L136 V138 L154 L156 I178 M180	V122-L143 HydrophobicContact CB-CD2 4.21Å; V122-L143 HydrophobicContact CG1-CD2 4.13Å; V122-L143 HydrophobicContact CG2-CD2 4.17Å; L136-L143 HydrophobicContact CD1-CD1 3.81Å; V138-L143 HydrophobicContact CB-CD1 4.45Å; V138-L143 HydrophobicContact CG1-CD1 4.5Å; V138-L143 HydrophobicContact CG2-CD1 3.75Å; L143-L154 HydrophobicContact CB-CB 4.34Å; L143-L154 HydrophobicContact CD2-CD2 4.43Å; L143-L154 PolarHBondContact N-O 3.39Å; L143-L154 PolarHBondContact O-N 3.43Å; L143-L156 HydrophobicContact CB-CD2 3.98Å; L143-L156 HydrophobicContact CB-CG 4.39Å; L143-I178 HydrophobicContact CD1-CD1 4.38Å; L143-I178 HydrophobicContact CD1-CG2 4.41Å; L143-I178 HydrophobicContact CD2-CD1 4.09Å; L143-M180 HydrophobicContact CD1-SD 4.26Å; L143-M180 HydrophobicContact CD2-CE 4.31Å
144	D	91	Very high	90.6	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.037	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	117.7	176.2	-167.6	-11.2	0	0	0	109.4	D137 F142 R146	D137-D144 HydrophobicContact CB-CB 4.28Å; D137-D144 PolarHBondContact N-O 2.98Å; D137-D144 PolarHBondContact O-N 2.8Å; F142-D144 HydrophobicContact CD1-CB 4.29Å; F142-D144 HydrophobicContact CE1-CB 3.89Å; D144-R146 WeakPolarHBondContact OD1-CG 3.46Å; D144-R146 IonicContact OD1-NE 3.17Å; D144-R146 PolarHBondContact OD1-NE 3.29Å; D144-R146 VanDerWaalsContact OD1-NE 3.17Å; D144-R146 IonicContact OD2-CZ 3.21Å; D144-R146 IonicContact OD2-NE 2.93Å; D144-R146 PolarHBondContact OD2-NE 2.87Å; D144-R146 IonicContact OD2-NH2 2.71Å; D144-R146 PolarHBondContact OD2-NH2 3.13Å
145	L	91.8	Very high	90.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121.9	174.5	178	165.9	0	0	0	108.3	V124 L126 V134 V135 L136 L152 L176 I178	V124-L145 HydrophobicContact CB-CD1 4.14Å; V124-L145 HydrophobicContact CG1-CD1 4.1Å; V124-L145 HydrophobicContact CG2-CD1 4.02Å; L126-L145 HydrophobicContact CD1-CD1 4.24Å; L126-L145 HydrophobicContact CD1-CD2 4.11Å; L126-L145 HydrophobicContact CD2-CD2 4.22Å; V134-L145 HydrophobicContact CG1-CD2 4.47Å; V134-L145 HydrophobicContact CG1-CG 4.2Å; V135-L145 WeakPolarHBondContact O-CA 3.17Å; L136-L145 HydrophobicContact CD1-CB 4.05Å; L136-L145 HydrophobicContact CD1-CD1 4.46Å; L136-L145 HydrophobicContact CD1-CG 4.46Å; L145-L152 HydrophobicContact CB-CB 4.2Å; L145-L152 PolarHBondContact N-O 2.91Å; L145-L152 PolarHBondContact O-N 3.41Å; L145-L176 HydrophobicContact CD1-CD2 3.6Å; L145-I178 HydrophobicContact CD1-CD1 4.25Å
146	R	89.6	Confident	90.7	Very high	97 Å²	97	43.2 Å²	43.2	37%	0.366	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	119	179.9	-57	-176.9	-176.5	-175.5	2.9	109.4	V135 D144	V135-R146 HydrophobicContact CB-CB 4.37Å; V135-R146 PolarHBondContact N-O 2.8Å; V135-R146 PolarHBondContact O-N 3.49Å; D144-R146 WeakPolarHBondContact OD1-CG 3.46Å; D144-R146 IonicContact OD1-NE 3.17Å; D144-R146 PolarHBondContact OD1-NE 3.29Å; D144-R146 VanDerWaalsContact OD1-NE 3.17Å; D144-R146 IonicContact OD2-CZ 3.21Å; D144-R146 IonicContact OD2-NE 2.93Å; D144-R146 PolarHBondContact OD2-NE 2.87Å; D144-R146 IonicContact OD2-NH2 2.71Å; D144-R146 PolarHBondContact OD2-NH2 3.13Å
147	A	89.8	Confident	90.6	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.025	22%	0.218	C	C	.	.			trans	-119.6	164	168.3	0	0	0	0	0	109.4	R85 T129 V134 K149 Y150	R85-A147 WeakPolarHBondContact CD-O 3.33Å; R85-A147 PolarHBondContact NH1-O 3.43Å; T129-A147 HydrophobicContact CG2-CB 3.93Å; V134-A147 HydrophobicContact CG2-CB 4.4Å; A147-K149 VanDerWaalsContact C-N 3.25Å; A147-K149 PolarHBondContact O-N 3Å; A147-Y150 CarbonylContact C-O 3.47Å; A147-Y150 WeakPolarHBondContact CA-O 3.49Å; A147-Y150 PolarHBondContact N-O 3.38Å; A147-Y150 PolarHBondContact O-N 3.31Å
148	P	88	Confident	90.6	Very high	84 Å²	84	44 Å²	44	55%	0.545	22%	0.216	S	C	.	.	S	Bend	trans	-58.4	-37.6	179	-26.9	35.6	0	0	0	113.1	R85 D133	R85-P148 WeakPolarHBondContact CD-O 3.39Å; D133-P148 HydrophobicContact CB-CG 3.64Å
149	K	88.9	Confident	90.6	Very high	101 Å²	101	45.2 Å²	45.2	44%	0.439	23%	0.225	S	C	.	.	S	Bend	trans	-94.7	-26.9	-178.5	-69.8	176.8	178.8	168.2	0	114	P86 D128 A147	P86-K149 WeakPolarHBondContact CD-O 3.5Å; D128-K149 PolarHBondContact O-NZ 3.12Å; A147-K149 VanDerWaalsContact C-N 3.25Å; A147-K149 PolarHBondContact O-N 3Å
150	Y	91.2	Very high	90.6	Very high	50 Å²	50	41.8 Å²	41.8	20%	0.196	21%	0.21	C	C	.	.			trans	-131	147.2	-168.1	-63.9	-72.8	0	0	0	110.9	P86 P88 L126 P127 A147	P86-Y150 HydrophobicContact CG-CD1 3.99Å; P86-Y150 HydrophobicContact CG-CE1 3.98Å; P88-Y150 HydrophobicContact CB-CD1 3.96Å; P88-Y150 HydrophobicContact CB-CG 4.06Å; L126-Y150 HydrophobicContact CD2-CD2 3.9Å; L126-Y150 HydrophobicContact CD2-CG 4.01Å; P127-Y150 HydrophobicContact CG-CE2 4.06Å; P127-Y150 WeakPolarHBondContact CG-OH 3.5Å; A147-Y150 CarbonylContact C-O 3.47Å; A147-Y150 WeakPolarHBondContact CA-O 3.49Å; A147-Y150 PolarHBondContact N-O 3.38Å; A147-Y150 PolarHBondContact O-N 3.31Å
151	K	90.3	Very high	90.6	Very high	25 Å²	25	40.5 Å²	40.5	11%	0.109	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.4	171.7	-174.4	-174.7	-166.3	167	0	108.4	D80 D83 R85 P86 Q87 P88	D80-K151 VanDerWaalsContact CB-NZ 3.29Å; D83-K151 HydrophobicContact CB-CD 4.02Å; D83-K151 VanDerWaalsContact OD2-CD 3.29Å; D83-K151 WeakPolarHBondContact OD2-CD 3.24Å; D83-K151 IonicContact OD2-NZ 2.86Å; D83-K151 PolarHBondContact OD2-NZ 3.06Å; R85-K151 HydrophobicContact CB-CB 3.99Å; P86-K151 PolarHBondContact O-N 3.37Å; Q87-K151 WeakPolarHBondContact CA-O 3.41Å; P88-K151 WeakPolarHBondContact CD-O 3.45Å
152	L	90.8	Very high	90.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	114.9	172.3	176.6	64.8	0	0	0	107.9	Q87 P88 Y90 V124 L145 L154	Q87-L152 HydrophobicContact CG-CD1 3.72Å; Q87-L152 VanDerWaalsContact NE2-CD1 3.29Å; P88-L152 HydrophobicContact CG-CB 3.78Å; P88-L152 HydrophobicContact CG-CD2 4.49Å; Y90-L152 HydrophobicContact CD1-CD1 3.78Å; Y90-L152 HydrophobicContact CD1-CD2 4.38Å; Y90-L152 HydrophobicContact CE1-CD1 3.99Å; Y90-L152 HydrophobicContact CG-CD1 4.38Å; Y90-L152 HydrophobicContact CG-CD2 4.26Å; V124-L152 HydrophobicContact CG1-CD2 4.03Å; V124-L152 HydrophobicContact CG2-CD2 3.63Å; L145-L152 HydrophobicContact CB-CB 4.2Å; L145-L152 PolarHBondContact N-O 2.91Å; L145-L152 PolarHBondContact O-N 3.41Å; L152-L154 HydrophobicContact CD1-CB 4.43Å; L152-L154 HydrophobicContact CG-CB 4.43Å
153	V	90.5	Very high	90.5	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.055	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.4	165.6	162.4	0	0	0	0	105.8	E79 F142	E79-V153 HydrophobicContact CG-CB 4.26Å; E79-V153 HydrophobicContact CG-CG1 3.84Å; F142-V153 HydrophobicContact CD2-CG1 4.47Å; F142-V153 HydrophobicContact CE1-CG1 4.06Å; F142-V153 HydrophobicContact CE2-CG1 3.33Å; F142-V153 HydrophobicContact CZ-CB 4.18Å; F142-V153 HydrophobicContact CZ-CG1 3.1Å; F142-V153 HydrophobicContact CZ-CG2 4.2Å
154	L	90.9	Very high	90.3	Very high	17 Å²	17	49.6 Å²	49.6	9%	0.089	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.5	-177.6	-175	72.5	0	0	0	110.3	Y90 I92 V122 L143 L152 L156	Y90-L154 HydrophobicContact CD2-CD2 4.42Å; Y90-L154 HydrophobicContact CE2-CD1 3.82Å; Y90-L154 HydrophobicContact CE2-CD2 4.23Å; I92-L154 HydrophobicContact CD1-CD2 4.08Å; V122-L154 HydrophobicContact CG1-CD2 4.42Å; V122-L154 HydrophobicContact CG2-CD2 4.45Å; L143-L154 HydrophobicContact CB-CB 4.34Å; L143-L154 HydrophobicContact CD2-CD2 4.43Å; L143-L154 PolarHBondContact N-O 3.39Å; L143-L154 PolarHBondContact O-N 3.43Å; L152-L154 HydrophobicContact CD1-CB 4.43Å; L152-L154 HydrophobicContact CG-CB 4.43Å; L154-L156 HydrophobicContact CD2-CD2 4.44Å
155	Y	91.8	Very high	90.2	Very high	124 Å²	124	50.8 Å²	50.8	49%	0.486	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	123.6	166.2	-73.4	-85.4	0	0	0	109.5	Q77 F142	Q77-Y155 PolarHBondContact O-OH 3.24Å; F142-Y155 AromaticContact CD2-CD1 3.88Å; F142-Y155 HydrophobicContact CD2-CD1 3.88Å; F142-Y155 HydrophobicContact CD2-CD2 4.48Å; F142-Y155 AromaticContact CD2-CE1 3.73Å; F142-Y155 HydrophobicContact CD2-CE1 3.73Å; F142-Y155 HydrophobicContact CD2-CE2 4.33Å; F142-Y155 HydrophobicContact CD2-CG 4.26Å; F142-Y155 AromaticContact CD2-CZ 3.96Å; F142-Y155 HydrophobicContact CE2-CD1 4.39Å; F142-Y155 HydrophobicContact CE2-CD2 4.34Å; F142-Y155 AromaticContact CE2-CE1 3.97Å; F142-Y155 HydrophobicContact CE2-CE1 3.97Å; F142-Y155 AromaticContact CE2-CE2 3.89Å; F142-Y155 HydrophobicContact CE2-CE2 3.89Å; F142-Y155 AromaticContact CE2-CZ 3.69Å
156	L	91.7	Very high	90.3	Very high	14 Å²	14	58.2 Å²	58.2	7%	0.073	30%	0.298	C	S	.	.			trans	-77	132.9	-177.2	-61.5	177.2	0	0	0	109.9	M120 T141 L143 L154 N158 V160 M180	M120-L156 HydrophobicContact SD-CD2 4.32Å; T141-L156 PolarHBondContact O-N 2.84Å; L143-L156 HydrophobicContact CB-CD2 3.98Å; L143-L156 HydrophobicContact CB-CG 4.39Å; L154-L156 HydrophobicContact CD2-CD2 4.44Å; L156-N158 WeakPolarHBondContact CB-O 3.5Å; L156-N158 PolarHBondContact O-N 3Å; L156-V160 HydrophobicContact CD1-CB 4.32Å; L156-V160 HydrophobicContact CD1-CG1 3.91Å; L156-V160 HydrophobicContact CD1-CG2 3.45Å; L156-V160 VanDerWaalsContact CD1-CG2 3.45Å; L156-M180 HydrophobicContact CD1-SD 4Å; L156-M180 HydrophobicContact CD2-CE 3.87Å; L156-M180 HydrophobicContact CD2-SD 4.23Å
157	P	89.5	Confident	90.4	Very high	79 Å²	79	56.1 Å²	56.1	51%	0.513	30%	0.301	S	S	.	.	S	Bend	trans	-58.9	-34.3	178.8	-25.9	33.1	0	0	0	113.8	M120	M120-P157 HydrophobicContact CE-CB 4.4Å; M120-P157 HydrophobicContact CE-CG 4.22Å
158	N	89.3	Confident	90.6	Very high	64 Å²	64	59.7 Å²	59.7	34%	0.342	32%	0.323	S	S	.	.	S	Bend	trans	-128.1	151	179.3	-62.6	-33.3	0	0	0	108.9	M120 L156	M120-N158 HydrophobicContact CE-CB 4.43Å; L156-N158 WeakPolarHBondContact CB-O 3.5Å; L156-N158 PolarHBondContact O-N 3Å
159	P	91.2	Very high	90.8	Very high	48 Å²	48	58.1 Å²	58.1	31%	0.312	31%	0.306	S	S	.	.			trans	-64.2	143.8	172.7	26.7	-32	0	0	0	110.6	E140 T141 K183	E140-P159 HydrophobicContact CG-CB 3.76Å; E140-P159 CarbonylContact O-C 3.48Å; E140-P159 WeakPolarHBondContact O-CA 3.41Å; T141-P159 HydrophobicContact CG2-CB 4.4Å; P159-K183 HydrophobicContact CB-CB 4.41Å; P159-K183 HydrophobicContact CG-CB 4.45Å; P159-K183 WeakPolarHBondContact O-CB 3.35Å; P159-K183 PolarHBondContact O-N 2.57Å
160	V	91.7	Very high	91	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	156.6	179.9	-58.3	0	0	0	0	111.4	V138 K139 E140 L156 P162 M180 K181	V138-V160 HydrophobicContact CG1-CG2 4.34Å; K139-V160 WeakPolarHBondContact O-CG2 3.45Å; E140-V160 WeakPolarHBondContact CA-O 3.4Å; E140-V160 PolarHBondContact O-N 3.44Å; L156-V160 HydrophobicContact CD1-CB 4.32Å; L156-V160 HydrophobicContact CD1-CG1 3.91Å; L156-V160 HydrophobicContact CD1-CG2 3.45Å; L156-V160 VanDerWaalsContact CD1-CG2 3.45Å; V160-P162 VanDerWaalsContact O-CD 3.27Å; V160-P162 WeakPolarHBondContact O-CD 3.3Å; V160-M180 HydrophobicContact CB-CB 4.08Å; V160-M180 HydrophobicContact CG1-CB 3.94Å; V160-M180 HydrophobicContact CG2-CB 4.35Å; V160-M180 HydrophobicContact CG2-SD 4.2Å; V160-K181 CarbonylContact C-O 3.47Å; V160-K181 VanDerWaalsContact CA-O 3.24Å; V160-K181 WeakPolarHBondContact CA-O 3.23Å; V160-K181 WeakPolarHBondContact CB-O 3.39Å
161	E	91.5	Very high	90.8	Very high	58 Å²	58	60.7 Å²	60.7	27%	0.271	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	108.9	168.7	-69.6	174.4	-160	0	0	109.5	D163 S164 K181 K183	E161-D163 PolarHBondContact O-N 3.21Å; E161-S164 PolarHBondContact O-N 3.3Å; E161-S164 PolarHBondContact OE2-OG 3.45Å; E161-K181 VanDerWaalsContact CD-NZ 3.32Å; E161-K181 PolarHBondContact N-O 3.07Å; E161-K181 IonicContact OE1-NZ 3.43Å; E161-K181 PolarHBondContact OE1-NZ 2.65Å; E161-K181 WeakPolarHBondContact OE2-CD 3.38Å; E161-K181 IonicContact OE2-NZ 2.65Å; E161-K181 PolarHBondContact OE2-NZ 3.43Å; E161-K183 HydrophobicContact CG-CB 4.36Å
162	P	88.7	Confident	90.7	Very high	48 Å²	48	66.9 Å²	66.9	31%	0.312	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	-36.9	-177.7	26.7	-34.4	0	0	0	112.2	V138 V160 S164 S165	V138-P162 HydrophobicContact CG1-CB 4.41Å; V138-P162 WeakPolarHBondContact O-CB 3.43Å; V160-P162 VanDerWaalsContact O-CD 3.27Å; V160-P162 WeakPolarHBondContact O-CD 3.3Å; P162-S164 VanDerWaalsContact C-N 3.28Å; P162-S164 PolarHBondContact O-N 3.42Å; P162-S165 WeakPolarHBondContact O-CB 3.44Å; P162-S165 PolarHBondContact O-N 2.76Å; P162-S165 VanDerWaalsContact O-N 3.15Å; P162-S165 PolarHBondContact O-OG 2.76Å
163	D	90.5	Very high	90.7	Very high	161 Å²	161	73.8 Å²	73.8	86%	0.861	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	-28.9	-178.9	-58.3	-44.1	0	0	0	113.2	E161 S165	E161-D163 PolarHBondContact O-N 3.21Å; D163-S165 VanDerWaalsContact C-N 3.32Å
164	S	88.4	Confident	90.6	Very high	53 Å²	53	76.7 Å²	76.7	37%	0.371	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-0.6	178.6	-64.3	0	0	0	0	112.8	E161 P162	E161-S164 PolarHBondContact O-N 3.3Å; E161-S164 PolarHBondContact OE2-OG 3.45Å; P162-S164 VanDerWaalsContact C-N 3.28Å; P162-S164 PolarHBondContact O-N 3.42Å
165	S	88.7	Confident	90.7	Very high	31 Å²	31	76.5 Å²	76.5	22%	0.217	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	151.1	-177.2	74.4	0	0	0	0	112.6	P162 D163 T179	P162-S165 WeakPolarHBondContact O-CB 3.44Å; P162-S165 PolarHBondContact O-N 2.76Å; P162-S165 VanDerWaalsContact O-N 3.15Å; P162-S165 PolarHBondContact O-OG 2.76Å; D163-S165 VanDerWaalsContact C-N 3.32Å; S165-T179 CarbonylContact C-O 3.57Å; S165-T179 WeakPolarHBondContact CA-O 3.47Å
166	K	92.8	Very high	90.8	Very high	157 Å²	157	70.8 Å²	70.8	68%	0.683	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.5	179.3	-62.8	-176.9	-177.6	177	0	109.8	T179	K166-T179 PolarHBondContact N-O 2.91Å; K166-T179 PolarHBondContact O-N 3.1Å
167	A	92.9	Very high	90.9	Very high	52 Å²	52	72.4 Å²	72.4	43%	0.43	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.6	174	0	0	0	0	0	110.6	L136 L176 E177 I178	L136-A167 HydrophobicContact CD2-CB 3.74Å; A167-L176 HydrophobicContact CB-CD1 4.38Å; A167-E177 CarbonylContact C-O 3.56Å; A167-E177 WeakPolarHBondContact CA-O 3.43Å; A167-I178 HydrophobicContact CB-CG1 4.36Å
168	T	93.1	Very high	91.2	Very high	79 Å²	79	68.6 Å²	68.6	49%	0.485	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.5	177.6	53.8	0	0	0	0	109.9	E177	T168-E177 PolarHBondContact N-O 2.97Å; T168-E177 PolarHBondContact O-N 3.1Å
169	W	93.2	Very high	91.5	Very high	51 Å²	51	67.4 Å²	67.4	19%	0.193	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.7	176.7	-179.7	-110.9	0	0	0	110.7	L126 L131 E174 L176	L126-W169 HydrophobicContact CB-CH2 3.92Å; L126-W169 HydrophobicContact CB-CZ3 4.09Å; L126-W169 HydrophobicContact CD1-CZ3 4.14Å; L131-W169 HydrophobicContact CB-CG 4.38Å; L131-W169 HydrophobicContact CD1-CB 3.84Å; L131-W169 HydrophobicContact CD1-CD2 4.44Å; L131-W169 HydrophobicContact CD1-CG 4.12Å; L131-W169 HydrophobicContact CD2-CB 3.87Å; L131-W169 HydrophobicContact CD2-CG 4.27Å; L131-W169 HydrophobicContact CG-CB 4.37Å; L131-W169 HydrophobicContact CG-CG 4.49Å; W169-E174 HydrophobicContact CH2-CB 4.19Å; W169-E174 WeakPolarHBondContact CH2-O 3.02Å; W169-E174 HydrophobicContact CZ2-CB 4.16Å; W169-L176 HydrophobicContact CB-CD1 4.43Å; W169-L176 HydrophobicContact CE3-CB 3.75Å; W169-L176 HydrophobicContact CE3-CD1 4Å; W169-L176 HydrophobicContact CE3-CG 4.48Å; W169-L176 HydrophobicContact CZ3-CB 3.87Å
170	N	92	Very high	91.6	Very high	51 Å²	51	65.1 Å²	65.1	27%	0.273	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	102.7	173.8	-166.4	-37.6	0	0	0	109.7	N172 K173 E174 T175	N170-N172 VanDerWaalsContact C-N 3.34Å; N170-N172 PolarHBondContact O-N 2.93Å; N170-N172 PolarHBondContact OD1-N 2.8Å; N170-K173 PolarHBondContact O-N 3.23Å; N170-E174 WeakPolarHBondContact O-CA 3.26Å; N170-E174 PolarHBondContact O-N 2.99Å; N170-T175 PolarHBondContact N-O 3.27Å; N170-T175 PolarHBondContact O-N 3.28Å; N170-T175 VanDerWaalsContact O-N 3.17Å
171	E	87	Confident	91.6	Very high	153 Å²	153	67.7 Å²	67.7	72%	0.715	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-61.6	-37.5	-177.1	-65.9	179.7	175	0	0	113	K173 E174	E171-K173 VanDerWaalsContact C-N 3.29Å; E171-K173 PolarHBondContact O-N 3.28Å; E171-E174 PolarHBondContact O-N 2.61Å
172	N	88.9	Confident	91.6	Very high	156 Å²	156	65 Å²	65	83%	0.834	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-67.4	-30.9	-176.1	-65.6	-44.1	0	0	0	113.3	N170	N170-N172 VanDerWaalsContact C-N 3.34Å; N170-N172 PolarHBondContact O-N 2.93Å; N170-N172 PolarHBondContact OD1-N 2.8Å
173	K	89.6	Confident	91.6	Very high	145 Å²	145	67.9 Å²	67.9	63%	0.63	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-107.2	0.1	-179.1	-64.5	-175.9	178.5	179.5	0	112.5	N170 E171 T175	N170-K173 PolarHBondContact O-N 3.23Å; E171-K173 VanDerWaalsContact C-N 3.29Å; E171-K173 PolarHBondContact O-N 3.28Å; K173-T175 WeakPolarHBondContact CB-OG1 3.44Å; K173-T175 PolarHBondContact O-N 3.2Å; K173-T175 VanDerWaalsContact O-N 3.13Å; K173-T175 PolarHBondContact O-OG1 3.37Å
174	E	89.7	Confident	91.3	Very high	69 Å²	69	62.4 Å²	62.4	32%	0.322	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.3	45.8	-171.3	-57.3	-178.2	115.6	0	0	111.7	L126 P127 D128 W169 N170 E171	L126-E174 CarbonylContact C-O 3.56Å; L126-E174 PolarHBondContact N-O 3.1Å; P127-E174 WeakPolarHBondContact CA-OE2 3.37Å; D128-E174 PolarHBondContact N-OE1 3.44Å; W169-E174 HydrophobicContact CH2-CB 4.19Å; W169-E174 WeakPolarHBondContact CH2-O 3.02Å; W169-E174 HydrophobicContact CZ2-CB 4.16Å; N170-E174 WeakPolarHBondContact O-CA 3.26Å; N170-E174 PolarHBondContact O-N 2.99Å; E171-E174 PolarHBondContact O-N 2.61Å
175	T	92.2	Very high	90.9	Very high	13 Å²	13	67.6 Å²	67.6	8%	0.08	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.4	-173.1	-58.1	0	0	0	0	109.6	K123 V124 N170 K173 E177	K123-T175 HydrophobicContact CB-CG2 4.03Å; V124-T175 CarbonylContact O-C 3.47Å; V124-T175 WeakPolarHBondContact O-CA 3.14Å; N170-T175 PolarHBondContact N-O 3.27Å; N170-T175 PolarHBondContact O-N 3.28Å; N170-T175 VanDerWaalsContact O-N 3.17Å; K173-T175 WeakPolarHBondContact CB-OG1 3.44Å; K173-T175 PolarHBondContact O-N 3.2Å; K173-T175 VanDerWaalsContact O-N 3.13Å; K173-T175 PolarHBondContact O-OG1 3.37Å; T175-E177 HydrophobicContact CG2-CG 4.3Å
176	L	93.9	Very high	90.4	Very high	5 Å²	5	73 Å²	73	3%	0.026	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.3	169.8	-172.7	68.1	0	0	0	108.8	K123 V124 L126 L131 V134 L145 A167 W169 I178	K123-L176 CarbonylContact C-O 3.6Å; K123-L176 WeakPolarHBondContact CA-O 3.21Å; V124-L176 PolarHBondContact N-O 2.95Å; V124-L176 PolarHBondContact O-N 3.27Å; L126-L176 HydrophobicContact CD1-CB 4.37Å; L131-L176 HydrophobicContact CD1-CD1 4.49Å; V134-L176 HydrophobicContact CG1-CD2 4.21Å; L145-L176 HydrophobicContact CD1-CD2 3.6Å; A167-L176 HydrophobicContact CB-CD1 4.38Å; W169-L176 HydrophobicContact CB-CD1 4.43Å; W169-L176 HydrophobicContact CE3-CB 3.75Å; W169-L176 HydrophobicContact CE3-CD1 4Å; W169-L176 HydrophobicContact CE3-CG 4.48Å; W169-L176 HydrophobicContact CZ3-CB 3.87Å; L176-I178 HydrophobicContact CD2-CD1 3.97Å; L176-I178 HydrophobicContact CD2-CG1 3.97Å; L176-I178 HydrophobicContact CG-CD1 4.39Å; L176-I178 HydrophobicContact CG-CG1 3.97Å
177	E	94.7	Very high	89.6	Confident	47 Å²	47	68.2 Å²	68.2	22%	0.22	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.1	173.7	-57.9	-167.3	147.6	0	0	108.9	I121 K123 A167 T168 T175	I121-E177 HydrophobicContact CG2-CB 4.49Å; K123-E177 HydrophobicContact CD-CG 4.37Å; K123-E177 WeakPolarHBondContact CD-OE1 3.48Å; K123-E177 WeakPolarHBondContact CE-OE1 3.05Å; K123-E177 HydrophobicContact CG-CG 4.09Å; K123-E177 IonicContact NZ-OE1 3.43Å; K123-E177 PolarHBondContact NZ-OE1 2.81Å; A167-E177 CarbonylContact C-O 3.56Å; A167-E177 WeakPolarHBondContact CA-O 3.43Å; T168-E177 PolarHBondContact N-O 2.97Å; T168-E177 PolarHBondContact O-N 3.1Å; T175-E177 HydrophobicContact CG2-CG 4.3Å
178	I	94.9	Very high	88.9	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	108.1	-178.4	-54.1	155.3	0	0	0	107.5	I121 V122 V124 L136 L143 L145 A167 L176 M180	I121-I178 CarbonylContact C-O 3.56Å; I121-I178 VanDerWaalsContact CA-O 3.27Å; I121-I178 WeakPolarHBondContact CA-O 3.24Å; V122-I178 HydrophobicContact CB-CB 4.47Å; V122-I178 PolarHBondContact N-O 3.29Å; V122-I178 PolarHBondContact O-N 2.71Å; V124-I178 HydrophobicContact CG2-CD1 4.23Å; L136-I178 HydrophobicContact CD1-CD1 3.8Å; L136-I178 HydrophobicContact CD1-CG1 4.45Å; L136-I178 HydrophobicContact CD2-CD1 4.32Å; L136-I178 HydrophobicContact CD2-CG1 4.07Å; L136-I178 HydrophobicContact CD2-CG2 4.3Å; L143-I178 HydrophobicContact CD1-CD1 4.38Å; L143-I178 HydrophobicContact CD1-CG2 4.41Å; L143-I178 HydrophobicContact CD2-CD1 4.09Å; L145-I178 HydrophobicContact CD1-CD1 4.25Å; A167-I178 HydrophobicContact CB-CG1 4.36Å; L176-I178 HydrophobicContact CD2-CD1 3.97Å; L176-I178 HydrophobicContact CD2-CG1 3.97Å; L176-I178 HydrophobicContact CG-CD1 4.39Å; L176-I178 HydrophobicContact CG-CG1 3.97Å; I178-M180 HydrophobicContact CG2-CE 4.47Å; I178-M180 HydrophobicContact CG2-CG 4.02Å; I178-M180 HydrophobicContact CG2-SD 4.27Å
179	T	95.2	Very high	88.1	Confident	38 Å²	38	72.1 Å²	72.1	23%	0.233	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	113.7	178.8	-58.6	0	0	0	0	109.4	Y119 I121 S165 K166	Y119-T179 HydrophobicContact CD1-CG2 4.04Å; Y119-T179 HydrophobicContact CG-CG2 4.41Å; I121-T179 HydrophobicContact CG1-CG2 4.14Å; S165-T179 CarbonylContact C-O 3.57Å; S165-T179 WeakPolarHBondContact CA-O 3.47Å; K166-T179 PolarHBondContact N-O 2.91Å; K166-T179 PolarHBondContact O-N 3.1Å
180	M	94.4	Very high	87	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.9	178.2	-62.4	169.5	-70.6	0	0	109.4	Y119 M120 V122 V138 L143 L156 V160 I178	Y119-M180 CarbonylContact C-O 3.57Å; Y119-M180 WeakPolarHBondContact CA-O 3.35Å; M120-M180 PolarHBondContact N-O 3.22Å; M120-M180 PolarHBondContact O-N 3.35Å; M120-M180 HydrophobicContact SD-CE 4.25Å; V122-M180 HydrophobicContact CB-CE 4.33Å; V122-M180 HydrophobicContact CG2-CE 3.45Å; V122-M180 VanDerWaalsContact CG2-CE 3.45Å; V138-M180 HydrophobicContact CG1-CG 4.24Å; V138-M180 HydrophobicContact CG1-SD 3.91Å; L143-M180 HydrophobicContact CD1-SD 4.26Å; L143-M180 HydrophobicContact CD2-CE 4.31Å; L156-M180 HydrophobicContact CD1-SD 4Å; L156-M180 HydrophobicContact CD2-CE 3.87Å; L156-M180 HydrophobicContact CD2-SD 4.23Å; V160-M180 HydrophobicContact CB-CB 4.08Å; V160-M180 HydrophobicContact CG1-CB 3.94Å; V160-M180 HydrophobicContact CG2-CB 4.35Å; V160-M180 HydrophobicContact CG2-SD 4.2Å; I178-M180 HydrophobicContact CG2-CE 4.47Å; I178-M180 HydrophobicContact CG2-CG 4.02Å; I178-M180 HydrophobicContact CG2-SD 4.27Å
181	K	92.5	Very high	85.7	Confident	55 Å²	55	79 Å²	79	24%	0.239	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.1	174.2	-175	-179.6	164.5	-136.9	0	109	Y119 V160 E161 K183	Y119-K181 HydrophobicContact CD1-CB 4.21Å; Y119-K181 HydrophobicContact CE1-CB 4.18Å; Y119-K181 HydrophobicContact CE1-CG 4.28Å; V160-K181 CarbonylContact C-O 3.47Å; V160-K181 VanDerWaalsContact CA-O 3.24Å; V160-K181 WeakPolarHBondContact CA-O 3.23Å; V160-K181 WeakPolarHBondContact CB-O 3.39Å; E161-K181 VanDerWaalsContact CD-NZ 3.32Å; E161-K181 PolarHBondContact N-O 3.07Å; E161-K181 IonicContact OE1-NZ 3.43Å; E161-K181 PolarHBondContact OE1-NZ 2.65Å; E161-K181 WeakPolarHBondContact OE2-CD 3.38Å; E161-K181 IonicContact OE2-NZ 2.65Å; E161-K181 PolarHBondContact OE2-NZ 3.43Å; K181-K183 PolarHBondContact O-N 3.32Å
182	N	91.2	Very high	85.7	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.011	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	129.1	175.9	-82.8	-35.6	0	0	0	109.9	C117 E118 M120 R184	C117-N182 PolarHBondContact O-ND2 2.99Å; E118-N182 PolarHBondContact O-N 2.93Å; M120-N182 WeakPolarHBondContact CE-OD1 3.4Å; N182-R184 HydrophobicContact CB-CG 4Å; N182-R184 PolarHBondContact O-N 3.23Å
183	K	88.9	Confident	85.5	Confident	107 Å²	107	71 Å²	71	47%	0.465	33%	0.325	S	S	.	.			trans	-85.1	103.2	169.4	-175	177.6	174.6	-175.1	0	107.9	E140 P159 E161 K181	E140-K183 WeakPolarHBondContact OE1-CD 3.13Å; E140-K183 IonicContact OE1-NZ 2.91Å; E140-K183 PolarHBondContact OE1-NZ 3.49Å; P159-K183 HydrophobicContact CB-CB 4.41Å; P159-K183 HydrophobicContact CG-CB 4.45Å; P159-K183 WeakPolarHBondContact O-CB 3.35Å; P159-K183 PolarHBondContact O-N 2.57Å; E161-K183 HydrophobicContact CG-CB 4.36Å; K181-K183 PolarHBondContact O-N 3.32Å
184	R	83.1	Confident	85.3	Confident	47 Å²	47	66.9 Å²	66.9	18%	0.177	31%	0.308	C	S	.	.			trans	-108.1	143.9	-176.6	-59.2	-179.8	-64.6	-167.6	-6.3	110.6	A115 C116 C117 E118 N182 D187	A115-R184 VanDerWaalsContact O-CD 3.3Å; A115-R184 WeakPolarHBondContact O-CD 3.36Å; A115-R184 PolarHBondContact O-NH1 3.28Å; C116-R184 PolarHBondContact O-NH1 3.45Å; C117-R184 PolarHBondContact O-NH1 3.47Å; E118-R184 IonicContact OE1-NH2 3.77Å; N182-R184 HydrophobicContact CB-CG 4Å; N182-R184 PolarHBondContact O-N 3.23Å; R184-D187 IonicContact CZ-OD1 3.04Å; R184-D187 IonicContact NE-OD1 2.72Å; R184-D187 PolarHBondContact NE-OD1 3.49Å; R184-D187 IonicContact NH2-OD1 2.61Å; R184-D187 PolarHBondContact NH2-OD1 2.97Å; R184-D187 IonicContact NH2-OD2 3.91Å
185	E	80.7	Confident	85	Confident	161 Å²	161	66.8 Å²	66.8	75%	0.752	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	144.6	165.5	-59.4	-171.5	152.7	0	0	109.5	D187	E185-D187 VanDerWaalsContact C-N 3.28Å; E185-D187 PolarHBondContact O-N 3.15Å
186	Y	76.9	Confident	84.6	Confident	146 Å²	146	70.1 Å²	70.1	57%	0.573	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	30.4	175.7	-47.5	-76.3	0	0	0	115.6	F188 I189	Y186-F188 AromaticContact CD1-CE1 3.76Å; Y186-F188 HydrophobicContact CD1-CE1 3.76Å; Y186-F188 AromaticContact CD1-CZ 3.74Å; Y186-F188 HydrophobicContact CD1-CZ 3.74Å; Y186-F188 HydrophobicContact CG-CE1 4.43Å; Y186-F188 PolarHBondContact O-N 3.03Å; Y186-F188 VanDerWaalsContact O-N 3.1Å; Y186-I189 HydrophobicContact CD1-CD1 4.3Å; Y186-I189 HydrophobicContact CG-CD1 4.22Å; Y186-I189 WeakPolarHBondContact O-CB 3.14Å; Y186-I189 PolarHBondContact O-N 3.12Å
187	D	77.1	Confident	83.9	Confident	55 Å²	55	74.5 Å²	74.5	29%	0.294	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-55.5	-32.9	179.9	-152.8	40.5	0	0	0	112.7	R184 E185 I189 N190	R184-D187 IonicContact CZ-OD1 3.04Å; R184-D187 IonicContact NE-OD1 2.72Å; R184-D187 PolarHBondContact NE-OD1 3.49Å; R184-D187 IonicContact NH2-OD1 2.61Å; R184-D187 PolarHBondContact NH2-OD1 2.97Å; R184-D187 IonicContact NH2-OD2 3.91Å; E185-D187 VanDerWaalsContact C-N 3.28Å; E185-D187 PolarHBondContact O-N 3.15Å; D187-I189 PolarHBondContact O-N 3.45Å; D187-I189 VanDerWaalsContact O-N 3.1Å; D187-N190 PolarHBondContact O-N 2.87Å
188	F	77.4	Confident	83.2	Confident	141 Å²	141	76.4 Å²	76.4	62%	0.618	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-60	-16.9	175.1	68.3	-96.4	0	0	0	114.8	Y186 N190	Y186-F188 AromaticContact CD1-CE1 3.76Å; Y186-F188 HydrophobicContact CD1-CE1 3.76Å; Y186-F188 AromaticContact CD1-CZ 3.74Å; Y186-F188 HydrophobicContact CD1-CZ 3.74Å; Y186-F188 HydrophobicContact CG-CE1 4.43Å; Y186-F188 PolarHBondContact O-N 3.03Å; Y186-F188 VanDerWaalsContact O-N 3.1Å; F188-N190 VanDerWaalsContact C-N 3.3Å
189	I	76	Confident	82.3	Confident	73 Å²	73	82.3 Å²	82.3	37%	0.374	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-75.8	-26.8	175.7	-61.2	-175.5	0	0	0	110.5	R109 Y186 D187	R109-I189 WeakPolarHBondContact CD-O 3.27Å; Y186-I189 HydrophobicContact CD1-CD1 4.3Å; Y186-I189 HydrophobicContact CG-CD1 4.22Å; Y186-I189 WeakPolarHBondContact O-CB 3.14Å; Y186-I189 PolarHBondContact O-N 3.12Å; D187-I189 PolarHBondContact O-N 3.45Å; D187-I189 VanDerWaalsContact O-N 3.1Å
190	N	70.8	Confident	81.2	Confident	33 Å²	33	86 Å²	86	18%	0.176	39%	0.389	C	S	.	.			trans	-96	-5.1	-176.1	-63.4	-40.6	0	0	0	113.6	K110 D187 F188	K110-N190 WeakPolarHBondContact CE-O 3.43Å; K110-N190 WeakPolarHBondContact CG-O 3.46Å; D187-N190 PolarHBondContact O-N 2.87Å; F188-N190 VanDerWaalsContact C-N 3.3Å
191	E	65.4	Low	80	Confident	212 Å²	212	93.8 Å²	93.8	99%	0.991	43%	0.425	S	S	*	.			trans	-78	0	174.3	-163.8	170.7	-163.7	0	0	112.2

Retrieved 191 of 191 residues in 134.8 ms (Link to these results)

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