A0A077YXT7_TRITR Loading...

MH2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXT7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 193 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	30.3	Very low	34.4	Very low	243 Å²	243	129.4 Å²	129.4	100%	1.197	76%	0.758	S	S	*	*				0	104.1	0	-64.3	-179.4	-157.7	0	0	107.8
2	A	35.4	Very low	35.8	Very low	106 Å²	106	121.9 Å²	121.9	88%	0.876	71%	0.712	S	S	*	*			trans	-99.3	99.3	178.2	0	0	0	0	0	108.3	G4	A2-G4 PolarHBondContact O-N 3.26Å; A2-G4 VanDerWaalsContact O-N 3.17Å
3	T	32	Very low	37.1	Very low	138 Å²	138	118.5 Å²	118.5	85%	0.847	69%	0.688	S	S	*	*			trans	-71.9	102.7	176.2	40.5	0	0	0	0	109.1	G5	T3-G5 PolarHBondContact O-N 3.36Å
4	G	30.4	Very low	37.9	Very low	82 Å²	82	119.1 Å²	119.1	85%	0.845	68%	0.682	S	S	*	*			trans	-71	90.8	172.6	0	0	0	0	0	110.3	A2	A2-G4 PolarHBondContact O-N 3.26Å; A2-G4 VanDerWaalsContact O-N 3.17Å
5	G	30	Very low	38.5	Very low	52 Å²	52	112.5 Å²	112.5	54%	0.536	65%	0.65	S	S	.	*			trans	-65	156.1	171.5	0	0	0	0	0	112.1	T3 V7	T3-G5 PolarHBondContact O-N 3.36Å; G5-V7 PolarHBondContact O-N 2.99Å
6	P	31.9	Very low	38.6	Very low	118 Å²	118	115.8 Å²	115.8	77%	0.766	66%	0.664	S	S	*	*			trans	-59.7	130.1	-177.1	24	-32.1	0	0	0	110.7	S8	P6-S8 PolarHBondContact O-N 3.13Å
7	V	34	Very low	38.8	Very low	125 Å²	125	112.4 Å²	112.4	76%	0.758	65%	0.649	S	S	*	*			trans	-77	72.3	177.9	-175	0	0	0	0	108.7	G5	G5-V7 PolarHBondContact O-N 2.99Å
8	S	30.8	Very low	38.9	Very low	72 Å²	72	114.2 Å²	114.2	50%	0.503	66%	0.656	S	S	.	*			trans	-114.3	108.8	169	57.3	0	0	0	0	108.2	P6	P6-S8 PolarHBondContact O-N 3.13Å
9	R	40.7	Very low	39	Very low	200 Å²	200	115.1 Å²	115.1	76%	0.755	66%	0.657	S	S	*	*	S	Bend	trans	168.5	134.7	154.5	-91.4	148.3	-166.1	-173.5	3.2	107.8	R11	R9-R11 VanDerWaalsContact C-N 3.28Å; R9-R11 PolarHBondContact O-N 3.27Å
10	I	39.4	Very low	38.8	Very low	124 Å²	124	111.1 Å²	111.1	64%	0.636	63%	0.632	S	S	*	*			trans	-48.2	97.5	161.5	-68.2	160.3	0	0	0	106.9	F94	I10-F94 HydrophobicContact CG2-CD1 4.15Å; I10-F94 HydrophobicContact CG2-CE1 3.96Å
11	R	43.2	Very low	38.4	Very low	163 Å²	163	107.2 Å²	107.2	62%	0.615	61%	0.614	S	S	*	*			trans	-137.2	117.9	-177.7	-118	-175.8	-154.2	-169.9	5.8	107.6	R9	R9-R11 VanDerWaalsContact C-N 3.28Å; R9-R11 PolarHBondContact O-N 3.27Å
12	I	51.3	Low	38.3	Very low	40 Å²	40	99.6 Å²	99.6	21%	0.205	59%	0.59	C	S	.	*			trans	-75.7	126.1	156.6	-65.6	-164.8	0	0	0	107.2	A76 K77 A78 F94 F104	I12-A76 HydrophobicContact CG2-CB 3.59Å; I12-K77 WeakPolarHBondContact CA-O 3.38Å; I12-A78 HydrophobicContact CG1-CB 4.18Å; I12-F94 HydrophobicContact CD1-CB 3.15Å; I12-F94 HydrophobicContact CD1-CD1 3.74Å; I12-F94 HydrophobicContact CD1-CD2 4.43Å; I12-F94 HydrophobicContact CD1-CG 3.54Å; I12-F94 HydrophobicContact CG1-CB 3.82Å; I12-F94 HydrophobicContact CG1-CD1 3.5Å; I12-F94 HydrophobicContact CG1-CE1 4.27Å; I12-F94 HydrophobicContact CG1-CG 3.89Å; I12-F104 HydrophobicContact CD1-CE1 3.8Å; I12-F104 HydrophobicContact CD1-CZ 3.46Å; I12-F104 VanDerWaalsContact CD1-CZ 3.46Å; I12-F104 HydrophobicContact CG2-CE1 3.83Å; I12-F104 HydrophobicContact CG2-CZ 4.42Å
13	L	53	Low	37.9	Very low	78 Å²	78	99.9 Å²	99.9	41%	0.408	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.4	112.7	168.8	-61.3	177.7	0	0	0	106.8	K77	L13-K77 HydrophobicContact CB-CD 4.31Å; L13-K77 VanDerWaalsContact CB-CE 3.49Å; L13-K77 HydrophobicContact CB-CG 3.9Å; L13-K77 PolarHBondContact N-O 3.3Å; L13-K77 PolarHBondContact O-N 3.14Å
14	Q	47.9	Very low	37.9	Very low	127 Å²	127	95 Å²	95	59%	0.593	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	133	166.9	-74.4	179.5	-28.7	0	0	107.9
15	G	47.2	Very low	37.8	Very low	20 Å²	20	95 Å²	95	21%	0.206	52%	0.522	C	S	.	.			trans	-99.9	111.2	-171.2	0	0	0	0	0	112.5
16	D	40.5	Very low	38	Very low	165 Å²	165	95.4 Å²	95.4	88%	0.882	51%	0.512	S	S	*	.			trans	-97	-3.3	171.4	-69.7	-30.3	0	0	0	113.5
17	S	41.9	Very low	38	Very low	58 Å²	58	97 Å²	97	41%	0.406	51%	0.514	S	S	.	.			trans	-93	113.6	-173.6	56	0	0	0	0	113.6	I19 R74	S17-I19 PolarHBondContact O-N 3.33Å; S17-I19 VanDerWaalsContact O-N 3.16Å; S17-R74 PolarHBondContact OG-NH2 3.04Å
18	N	41	Very low	38.1	Very low	145 Å²	145	99.4 Å²	99.4	78%	0.775	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-59.5	-16.7	167.9	-77.4	-28.3	0	0	0	113.4	E20 A21	N18-E20 VanDerWaalsContact C-N 3.34Å; N18-E20 PolarHBondContact O-N 3.38Å; N18-A21 PolarHBondContact O-N 3Å
19	I	39.6	Very low	38.3	Very low	130 Å²	130	98.8 Å²	98.8	67%	0.667	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-69.2	-29.1	-172.1	-57.6	172.3	0	0	0	112.1	S17 W23	S17-I19 PolarHBondContact O-N 3.33Å; S17-I19 VanDerWaalsContact O-N 3.16Å; I19-W23 PolarHBondContact O-NE1 3.29Å; I19-W23 VanDerWaalsContact O-NE1 3.08Å
20	E	34.9	Very low	37.8	Very low	35 Å²	35	95.9 Å²	95.9	16%	0.164	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-79.7	-19	178.3	-94.3	-171.8	-127.9	0	0	113.7	N18 A22 W23 R74	N18-E20 VanDerWaalsContact C-N 3.34Å; N18-E20 PolarHBondContact O-N 3.38Å; E20-A22 VanDerWaalsContact C-N 3.3Å; E20-A22 PolarHBondContact O-N 3.21Å; E20-W23 VanDerWaalsContact CA-CD1 3.5Å; E20-W23 PolarHBondContact O-N 3.29Å; E20-R74 IonicContact OE1-CZ 3.97Å; E20-R74 IonicContact OE1-NH1 2.67Å; E20-R74 PolarHBondContact OE1-NH1 2.81Å; E20-R74 IonicContact OE1-NH2 2.85Å; E20-R74 IonicContact OE2-CZ 3.85Å; E20-R74 IonicContact OE2-NH1 3.65Å; E20-R74 PolarHBondContact OE2-NH1 2.97Å
21	A	31	Very low	37.3	Very low	30 Å²	30	101.6 Å²	101.6	25%	0.248	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-71.1	-26.2	178.6	0	0	0	0	0	112.6	N18 W23 F24	N18-A21 PolarHBondContact O-N 3Å; A21-W23 PolarHBondContact O-N 3.4Å; A21-F24 PolarHBondContact O-N 2.96Å
22	A	28.5	Very low	36.8	Very low	84 Å²	84	97.9 Å²	97.9	69%	0.694	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-65.5	-22.7	175.9	0	0	0	0	0	113.4	E20 F24	E20-A22 VanDerWaalsContact C-N 3.3Å; E20-A22 PolarHBondContact O-N 3.21Å; A22-F24 VanDerWaalsContact C-N 3.3Å; A22-F24 PolarHBondContact O-N 2.86Å
23	W	27.4	Very low	35.8	Very low	111 Å²	111	100 Å²	100	42%	0.42	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-78.6	-16.7	-178.3	-59.3	77.9	0	0	0	112.7	I19 E20 A21 P44 D46	I19-W23 PolarHBondContact O-NE1 3.29Å; I19-W23 VanDerWaalsContact O-NE1 3.08Å; E20-W23 VanDerWaalsContact CA-CD1 3.5Å; E20-W23 PolarHBondContact O-N 3.29Å; A21-W23 PolarHBondContact O-N 3.4Å; W23-P44 VanDerWaalsContact O-CG 3.23Å; W23-P44 WeakPolarHBondContact O-CG 3.37Å; W23-D46 HydrophobicContact CE3-CB 3.5Å; W23-D46 HydrophobicContact CH2-CB 4.19Å; W23-D46 HydrophobicContact CZ3-CB 3.13Å; W23-D46 VanDerWaalsContact CZ3-CG 3.44Å; W23-D46 WeakPolarHBondContact CZ3-OD2 3.1Å
24	F	31.2	Very low	34.8	Very low	35 Å²	35	100.3 Å²	100.3	15%	0.154	53%	0.526	C	S	.	.	S	Bend	trans	-97.6	97	168.8	-60.8	-81.5	0	0	0	106.8	A21 A22 L26 M69	A21-F24 PolarHBondContact O-N 2.96Å; A22-F24 VanDerWaalsContact C-N 3.3Å; A22-F24 PolarHBondContact O-N 2.86Å; F24-L26 VanDerWaalsContact C-N 3.34Å; F24-L26 PolarHBondContact O-N 3.06Å; F24-M69 HydrophobicContact CD2-CE 4.22Å; F24-M69 HydrophobicContact CE2-CE 4.33Å
25	S	29	Very low	34	Very low	82 Å²	82	97.7 Å²	97.7	57%	0.573	52%	0.521	S	S	*	.			trans	-58.6	102.5	173.1	-165.8	0	0	0	0	108.6	D27 Q28	S25-D27 PolarHBondContact O-N 3.43Å; S25-D27 VanDerWaalsContact O-N 3.15Å; S25-Q28 PolarHBondContact O-N 2.94Å
26	L	34	Very low	33.5	Very low	62 Å²	62	97.5 Å²	97.5	33%	0.325	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-59.8	-24.7	-172.3	-90.7	153.3	0	0	0	112.2	F24 Q28 F29 Y30 N72	F24-L26 VanDerWaalsContact C-N 3.34Å; F24-L26 PolarHBondContact O-N 3.06Å; L26-Q28 PolarHBondContact O-N 2.85Å; L26-Q28 VanDerWaalsContact O-N 3.12Å; L26-F29 PolarHBondContact O-N 3.19Å; L26-Y30 HydrophobicContact CB-CD2 4.35Å; L26-Y30 HydrophobicContact CB-CE2 4.03Å; L26-Y30 HydrophobicContact CD2-CD2 4.33Å; L26-Y30 HydrophobicContact CD2-CE2 3.54Å; L26-Y30 HydrophobicContact CG-CE2 4.36Å; L26-Y30 VanDerWaalsContact O-CD2 3.24Å; L26-Y30 WeakPolarHBondContact O-CD2 3.28Å; L26-N72 HydrophobicContact CD2-CB 4.38Å; L26-N72 VanDerWaalsContact CD2-CG 3.42Å; L26-N72 WeakPolarHBondContact CD2-OD1 3.37Å
27	D	31.3	Very low	33.2	Very low	151 Å²	151	90.1 Å²	90.1	81%	0.807	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-61.4	-21.7	-179.3	-86.5	-9.1	0	0	0	114.4	S25	S25-D27 PolarHBondContact O-N 3.43Å; S25-D27 VanDerWaalsContact O-N 3.15Å
28	Q	36.8	Very low	33.1	Very low	176 Å²	176	88 Å²	88	82%	0.822	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-84.9	-11.9	175.9	-72.8	-172.5	6.8	0	0	114.4	S25 L26	S25-Q28 PolarHBondContact O-N 2.94Å; L26-Q28 PolarHBondContact O-N 2.85Å; L26-Q28 VanDerWaalsContact O-N 3.12Å
29	F	34.8	Very low	32.9	Very low	58 Å²	58	81.6 Å²	81.6	25%	0.254	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-10.8	-170.4	-81.5	-86.4	0	0	0	115.6	L26 R31 S40 Q147	L26-F29 PolarHBondContact O-N 3.19Å; F29-R31 PolarHBondContact O-N 2.96Å; F29-S40 WeakPolarHBondContact CZ-OG 3.4Å; F29-Q147 VanDerWaalsContact CE1-OE1 3.26Å
30	Y	29.2	Very low	32.9	Very low	139 Å²	139	76.1 Å²	76.1	55%	0.545	40%	0.398	S	S	.	.			trans	-89.6	15.8	-157.7	-100.2	-68.8	0	0	0	119.3	L26 N72	L26-Y30 HydrophobicContact CB-CD2 4.35Å; L26-Y30 HydrophobicContact CB-CE2 4.03Å; L26-Y30 HydrophobicContact CD2-CD2 4.33Å; L26-Y30 HydrophobicContact CD2-CE2 3.54Å; L26-Y30 HydrophobicContact CG-CE2 4.36Å; L26-Y30 VanDerWaalsContact O-CD2 3.24Å; L26-Y30 WeakPolarHBondContact O-CD2 3.28Å; Y30-N72 PolarHBondContact OH-ND2 2.7Å
31	R	29	Very low	33.4	Very low	244 Å²	244	76 Å²	76	92%	0.921	40%	0.398	S	S	*	.	S	Bend	trans	-114.4	14.1	-170.1	-76.4	-164.5	175	-155.2	0	119.3	F29	F29-R31 PolarHBondContact O-N 2.96Å
32	I	33.3	Very low	33.8	Very low	86 Å²	86	78.1 Å²	78.1	44%	0.441	41%	0.41	S	S	.	.	S	Bend	trans	-148.5	107.3	-169.5	-43.4	155.8	0	0	0	116.5	Y38 K150	I32-Y38 PolarHBondContact O-OH 2.85Å; I32-K150 HydrophobicContact CD1-CD 3.75Å
33	S	30.5	Very low	34.5	Very low	85 Å²	85	76.2 Å²	76.2	59%	0.594	39%	0.387	S	S	*	.			trans	34.2	139.1	151.4	-52.5	0	0	0	0	122.9	S35 Y38	S33-S35 PolarHBondContact O-N 3.04Å; S33-Y38 PolarHBondContact O-OH 3.12Å
34	P	32.7	Very low	35.3	Very low	84 Å²	84	73 Å²	73	55%	0.545	38%	0.38	S	S	.	.	S	Bend	trans	-99.6	52.9	-152.1	40.4	-37.9	0	0	0	117
35	S	29.8	Very low	36	Very low	71 Å²	71	79.8 Å²	79.8	50%	0.497	41%	0.41	S	S	.	.	S	Bend	trans	-149.5	26.7	-178.5	51.4	0	0	0	0	116.5	S33 P143	S33-S35 PolarHBondContact O-N 3.04Å; S35-P143 WeakPolarHBondContact O-CG 3.36Å
36	I	36.6	Very low	36.8	Very low	16 Å²	16	79.5 Å²	79.5	8%	0.082	40%	0.402	C	S	.	.			trans	-131.4	131	-157.8	-71.2	157.4	0	0	0	112	Y38 I145	I36-Y38 HydrophobicContact CB-CD1 4.4Å; I36-Y38 HydrophobicContact CB-CE1 3.93Å; I36-Y38 HydrophobicContact CB-CE2 4.26Å; I36-Y38 HydrophobicContact CG2-CD1 3.51Å; I36-Y38 HydrophobicContact CG2-CD2 4.49Å; I36-Y38 HydrophobicContact CG2-CE1 3.43Å; I36-Y38 VanDerWaalsContact CG2-CE1 3.43Å; I36-Y38 HydrophobicContact CG2-CE2 4.28Å; I36-Y38 HydrophobicContact CG2-CG 4.15Å; I36-Y38 WeakPolarHBondContact O-CD2 3.32Å; I36-Y38 WeakPolarHBondContact O-CE2 3.27Å; I36-I145 HydrophobicContact CB-CD1 4.09Å; I36-I145 HydrophobicContact CB-CG1 4.33Å; I36-I145 HydrophobicContact CD1-CD1 3.35Å; I36-I145 HydrophobicContact CD1-CG1 4.45Å; I36-I145 HydrophobicContact CG1-CD1 3.38Å; I36-I145 HydrophobicContact CG1-CG1 4.05Å; I36-I145 HydrophobicContact CG2-CB 3.37Å; I36-I145 HydrophobicContact CG2-CD1 3.55Å; I36-I145 HydrophobicContact CG2-CG1 3.42Å; I36-I145 VanDerWaalsContact CG2-CG1 3.42Å; I36-I145 HydrophobicContact CG2-CG2 4.32Å
37	L	35.5	Very low	37.6	Very low	10 Å²	10	76.8 Å²	76.8	5%	0.052	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	126.8	162.2	-79.1	159.9	0	0	0	109	I120 P143 V144 I145 Y189 L191	L37-I120 HydrophobicContact CD1-CG1 4.3Å; L37-I120 HydrophobicContact CD1-CG2 4.24Å; L37-I120 HydrophobicContact CD2-CD1 4.14Å; L37-I120 HydrophobicContact CD2-CG1 4.17Å; L37-P143 PolarHBondContact N-O 3.32Å; L37-V144 HydrophobicContact CD1-CG2 4.2Å; L37-I145 PolarHBondContact O-N 3.48Å; L37-Y189 HydrophobicContact CD2-CD1 4.47Å; L37-L191 HydrophobicContact CD2-CD2 3.57Å; L37-L191 HydrophobicContact CG-CD2 4.41Å
38	Y	38.6	Very low	38.6	Very low	13 Å²	13	74.5 Å²	74.5	5%	0.051	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	147.9	-170.9	-66.7	-67	0	0	0	112.8	I32 S33 I36 I145 Q147 A188 Y189 N190 N192	I32-Y38 PolarHBondContact O-OH 2.85Å; S33-Y38 PolarHBondContact O-OH 3.12Å; I36-Y38 HydrophobicContact CB-CD1 4.4Å; I36-Y38 HydrophobicContact CB-CE1 3.93Å; I36-Y38 HydrophobicContact CB-CE2 4.26Å; I36-Y38 HydrophobicContact CG2-CD1 3.51Å; I36-Y38 HydrophobicContact CG2-CD2 4.49Å; I36-Y38 HydrophobicContact CG2-CE1 3.43Å; I36-Y38 VanDerWaalsContact CG2-CE1 3.43Å; I36-Y38 HydrophobicContact CG2-CE2 4.28Å; I36-Y38 HydrophobicContact CG2-CG 4.15Å; I36-Y38 WeakPolarHBondContact O-CD2 3.32Å; I36-Y38 WeakPolarHBondContact O-CE2 3.27Å; Y38-I145 CarbonylContact C-O 3.6Å; Y38-I145 WeakPolarHBondContact CA-O 3.18Å; Y38-Q147 HydrophobicContact CD1-CG 3.24Å; Y38-Q147 HydrophobicContact CE1-CG 4.14Å; Y38-Q147 VanDerWaalsContact CE1-NE2 3.27Å; Y38-Q147 VanDerWaalsContact CG-CD 3.41Å; Y38-Q147 HydrophobicContact CG-CG 3.82Å; Y38-A188 VanDerWaalsContact O-O 3.1Å; Y38-Y189 VanDerWaalsContact O-CA 3.23Å; Y38-Y189 WeakPolarHBondContact O-CA 3.42Å; Y38-N190 WeakPolarHBondContact CB-O 3.43Å; Y38-N190 HydrophobicContact CD2-CB 4.07Å; Y38-N190 WeakPolarHBondContact CD2-O 3.24Å; Y38-N190 HydrophobicContact CG-CB 4.31Å; Y38-N190 PolarHBondContact N-O 2.88Å; Y38-N190 VanDerWaalsContact N-O 3.12Å; Y38-N190 PolarHBondContact O-N 2.78Å; Y38-N192 HydrophobicContact CD2-CB 4.07Å; Y38-N192 HydrophobicContact CE2-CB 3.44Å; Y38-N192 VanDerWaalsContact CE2-CB 3.44Å
39	T	37.3	Very low	39.2	Very low	11 Å²	11	73 Å²	73	7%	0.067	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	113.3	164.5	56.1	0	0	0	0	111.3	F41 I145 V146 Q147 T187 A188 Y189	T39-F41 WeakPolarHBondContact OG1-CE2 3.22Å; T39-I145 PolarHBondContact N-O 2.64Å; T39-I145 VanDerWaalsContact N-O 3.14Å; T39-V146 VanDerWaalsContact OG1-CA 3.28Å; T39-V146 WeakPolarHBondContact OG1-CA 3.24Å; T39-Q147 WeakPolarHBondContact O-CA 2.87Å; T39-Q147 VanDerWaalsContact O-CB 3.3Å; T39-Q147 WeakPolarHBondContact O-CB 3.49Å; T39-Q147 PolarHBondContact O-N 2.99Å; T39-T187 HydrophobicContact CG2-CG2 3.69Å; T39-A188 VanDerWaalsContact CA-O 3.24Å; T39-A188 WeakPolarHBondContact CA-O 3.39Å; T39-Y189 HydrophobicContact CG2-CE1 4.38Å
40	S	40.4	Very low	40.2	Very low	15 Å²	15	73 Å²	73	11%	0.105	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.8	176.7	-179	0	0	0	0	112	F29 A188	F29-S40 WeakPolarHBondContact CZ-OG 3.4Å; S40-A188 PolarHBondContact N-O 3.43Å
41	F	44.8	Very low	41.5	Very low	34 Å²	34	67.5 Å²	67.5	15%	0.149	35%	0.348	C	S	.	.			trans	-131.3	21.4	-174.3	-75.4	-92.1	0	0	0	115.2	T39 V146 F157 V176 V177 F186	T39-F41 WeakPolarHBondContact OG1-CE2 3.22Å; F41-V146 HydrophobicContact CD2-CG1 3.88Å; F41-V146 HydrophobicContact CE2-CG1 3.75Å; F41-F157 HydrophobicContact CB-CE1 3.67Å; F41-F157 HydrophobicContact CB-CZ 3.54Å; F41-F157 HydrophobicContact CD1-CE1 4.13Å; F41-F157 AromaticContact CD2-CE1 3.29Å; F41-F157 HydrophobicContact CD2-CE1 3.29Å; F41-F157 AromaticContact CD2-CZ 3.44Å; F41-F157 HydrophobicContact CD2-CZ 3.44Å; F41-F157 VanDerWaalsContact CD2-CZ 3.44Å; F41-F157 AromaticContact CE2-CE1 3.85Å; F41-F157 HydrophobicContact CE2-CE1 3.85Å; F41-F157 HydrophobicContact CE2-CZ 4.31Å; F41-F157 AromaticContact CG-CE1 3.43Å; F41-F157 HydrophobicContact CG-CE1 3.43Å; F41-F157 VanDerWaalsContact CG-CE1 3.43Å; F41-F157 AromaticContact CG-CZ 3.7Å; F41-F157 HydrophobicContact CG-CZ 3.7Å; F41-F157 HydrophobicContact CZ-CE1 4.49Å; F41-V176 HydrophobicContact CE1-CG1 4.49Å; F41-V176 HydrophobicContact CE2-CG1 3.92Å; F41-V176 HydrophobicContact CZ-CG1 3.76Å; F41-V177 HydrophobicContact CD1-CG2 3.86Å; F41-V177 HydrophobicContact CE1-CG2 3.61Å; F41-V177 HydrophobicContact CZ-CG2 4.33Å; F41-F186 VanDerWaalsContact CD1-O 3.31Å; F41-F186 WeakPolarHBondContact CD1-O 3.33Å; F41-F186 VanDerWaalsContact CE1-O 3.26Å; F41-F186 WeakPolarHBondContact CE1-O 3.49Å
42	C	40	Very low	42.8	Very low	74 Å²	74	57.8 Å²	57.8	50%	0.5	33%	0.325	S	S	.	.			trans	-114.4	122.3	174.4	-151.1	0	0	0	0	110.5
43	L	42.9	Very low	43.8	Very low	43 Å²	43	57.9 Å²	57.9	23%	0.225	33%	0.333	C	S	.	.			trans	-89.4	124.3	173.5	-67.2	176.3	0	0	0	109.7	H47 L48 I51 F186	L43-H47 HydrophobicContact CB-CB 4.25Å; L43-H47 HydrophobicContact CD2-CB 3.85Å; L43-H47 WeakPolarHBondContact CD2-ND1 3.2Å; L43-H47 HydrophobicContact CG-CB 4.44Å; L43-L48 HydrophobicContact CD1-CD2 4.11Å; L43-I51 HydrophobicContact CD1-CD1 3.9Å; L43-F186 HydrophobicContact CD1-CD2 3.94Å; L43-F186 HydrophobicContact CD1-CE2 4.04Å; L43-F186 HydrophobicContact CD2-CD2 3.53Å; L43-F186 HydrophobicContact CD2-CE2 3.92Å; L43-F186 HydrophobicContact CD2-CG 4.16Å; L43-F186 HydrophobicContact CG-CD2 4.17Å
44	P	44.6	Very low	45.2	Very low	43 Å²	43	58.2 Å²	58.2	28%	0.279	32%	0.324	S	S	.	.			trans	-56.7	146.5	160.3	-15.1	26.9	0	0	0	109.6	W23 D46 H47	W23-P44 VanDerWaalsContact O-CG 3.23Å; W23-P44 WeakPolarHBondContact O-CG 3.37Å; P44-D46 PolarHBondContact O-N 3.42Å; P44-H47 PolarHBondContact O-N 3.12Å
45	K	44.5	Very low	46.3	Very low	179 Å²	179	59 Å²	59	78%	0.778	32%	0.323	S	S	*	.	H	α-helix	trans	-48.2	-30.5	-177.9	-74.1	-177.6	175.1	178.5	0	113.6	H47 L48 Q49	K45-H47 PolarHBondContact O-N 3.19Å; K45-L48 WeakPolarHBondContact O-CB 3.15Å; K45-L48 PolarHBondContact O-N 3.32Å; K45-Q49 PolarHBondContact O-N 2.97Å
46	D	46.1	Very low	47.3	Very low	75 Å²	75	61.3 Å²	61.3	40%	0.401	34%	0.336	S	S	.	.	H	α-helix	trans	-70.8	-30.5	-177.3	-50.3	-40.5	0	0	0	113.8	W23 P44 L48 Q49 E50	W23-D46 HydrophobicContact CE3-CB 3.5Å; W23-D46 HydrophobicContact CH2-CB 4.19Å; W23-D46 HydrophobicContact CZ3-CB 3.13Å; W23-D46 VanDerWaalsContact CZ3-CG 3.44Å; W23-D46 WeakPolarHBondContact CZ3-OD2 3.1Å; P44-D46 PolarHBondContact O-N 3.42Å; D46-L48 VanDerWaalsContact C-N 3.33Å; D46-Q49 WeakPolarHBondContact O-CB 3.3Å; D46-Q49 PolarHBondContact O-N 3.44Å; D46-E50 PolarHBondContact O-N 3.19Å
47	H	51.5	Low	48.2	Very low	6 Å²	6	64.9 Å²	64.9	3%	0.028	36%	0.363	C	S	.	.	H	α-helix	trans	-69.2	-33.2	172.8	-98	169.4	0	0	0	111.6	L43 P44 K45 Q49 E50 I51	L43-H47 HydrophobicContact CB-CB 4.25Å; L43-H47 HydrophobicContact CD2-CB 3.85Å; L43-H47 WeakPolarHBondContact CD2-ND1 3.2Å; L43-H47 HydrophobicContact CG-CB 4.44Å; P44-H47 PolarHBondContact O-N 3.12Å; K45-H47 PolarHBondContact O-N 3.19Å; H47-Q49 PolarHBondContact O-N 2.65Å; H47-E50 IonicContact CD2-OE2 2.97Å; H47-E50 PolarHBondContact CD2-OE2 2.75Å; H47-E50 IonicContact NE2-OE2 2.68Å; H47-E50 PolarHBondContact O-N 3.26Å; H47-I51 WeakPolarHBondContact O-CB 3.26Å; H47-I51 VanDerWaalsContact O-CD1 3.28Å; H47-I51 WeakPolarHBondContact O-CD1 3.18Å; H47-I51 WeakPolarHBondContact O-CG1 3.1Å; H47-I51 PolarHBondContact O-N 3.35Å
48	L	51.9	Low	49.3	Very low	102 Å²	102	67 Å²	67	53%	0.534	37%	0.374	S	S	.	.	H	α-helix	trans	-64.4	-35.2	173.4	-69.7	169.6	0	0	0	110.8	L43 K45 D46 G52	L43-L48 HydrophobicContact CD1-CD2 4.11Å; K45-L48 WeakPolarHBondContact O-CB 3.15Å; K45-L48 PolarHBondContact O-N 3.32Å; D46-L48 VanDerWaalsContact C-N 3.33Å; L48-G52 PolarHBondContact O-N 3.16Å
49	Q	50.2	Low	50.5	Low	146 Å²	146	70 Å²	70	68%	0.682	39%	0.39	S	S	*	.	H	α-helix	trans	-71.6	-38.3	175.5	-160.6	176.4	18.6	0	0	112.4	K45 D46 H47 G52 S53	K45-Q49 PolarHBondContact O-N 2.97Å; D46-Q49 WeakPolarHBondContact O-CB 3.3Å; D46-Q49 PolarHBondContact O-N 3.44Å; H47-Q49 PolarHBondContact O-N 2.65Å; Q49-G52 PolarHBondContact O-N 2.96Å; Q49-S53 PolarHBondContact O-N 3.41Å; Q49-S53 PolarHBondContact O-OG 3.48Å
50	E	55.8	Low	51.9	Low	56 Å²	56	77.5 Å²	77.5	26%	0.262	43%	0.43	S	S	.	.	H	α-helix	trans	-65.5	-42.1	172.9	-166.2	-165.8	158.4	0	0	111.9	D46 H47 S53 K54	D46-E50 PolarHBondContact O-N 3.19Å; H47-E50 IonicContact CD2-OE2 2.97Å; H47-E50 PolarHBondContact CD2-OE2 2.75Å; H47-E50 IonicContact NE2-OE2 2.68Å; H47-E50 PolarHBondContact O-N 3.26Å; E50-S53 WeakPolarHBondContact CA-OG 3.35Å; E50-S53 PolarHBondContact O-N 3.45Å; E50-S53 PolarHBondContact O-OG 3.04Å; E50-K54 HydrophobicContact CG-CD 4.16Å; E50-K54 WeakPolarHBondContact O-CB 3.45Å; E50-K54 WeakPolarHBondContact O-CG 3.26Å; E50-K54 PolarHBondContact O-N 2.78Å; E50-K54 IonicContact OE1-NZ 2.72Å; E50-K54 PolarHBondContact OE1-NZ 3.42Å
51	I	55.4	Low	53.4	Low	24 Å²	24	78.7 Å²	78.7	12%	0.123	45%	0.445	C	S	.	.	H	α-helix	trans	-67.1	-42.5	175.8	-64.9	159.1	0	0	0	109.4	L43 H47 S53 K54 L55 F186	L43-I51 HydrophobicContact CD1-CD1 3.9Å; H47-I51 WeakPolarHBondContact O-CB 3.26Å; H47-I51 VanDerWaalsContact O-CD1 3.28Å; H47-I51 WeakPolarHBondContact O-CD1 3.18Å; H47-I51 WeakPolarHBondContact O-CG1 3.1Å; H47-I51 PolarHBondContact O-N 3.35Å; I51-S53 VanDerWaalsContact C-N 3.32Å; I51-S53 PolarHBondContact O-N 3.4Å; I51-K54 CarbonylContact O-C 3.58Å; I51-K54 PolarHBondContact O-N 3.35Å; I51-L55 HydrophobicContact CG2-CD1 3.75Å; I51-L55 HydrophobicContact CG2-CG 4.01Å; I51-L55 WeakPolarHBondContact O-CA 3.4Å; I51-L55 WeakPolarHBondContact O-CB 3.31Å; I51-L55 WeakPolarHBondContact O-CD1 3.09Å; I51-L55 WeakPolarHBondContact O-CG 3.28Å; I51-L55 PolarHBondContact O-N 3.47Å; I51-F186 HydrophobicContact CD1-CE2 3.57Å; I51-F186 HydrophobicContact CD1-CZ 4.05Å; I51-F186 HydrophobicContact CG1-CE2 4.5Å
52	G	56.1	Low	54.8	Low	41 Å²	41	78.5 Å²	78.5	42%	0.423	45%	0.445	S	S	.	.	H	α-helix	trans	-55.9	-43.6	174.9	0	0	0	0	0	113.1	L48 Q49	L48-G52 PolarHBondContact O-N 3.16Å; Q49-G52 PolarHBondContact O-N 2.96Å
53	S	55.1	Low	56.6	Low	88 Å²	88	77 Å²	77	62%	0.615	43%	0.429	S	S	*	.	H	α-helix	trans	-74.3	-28	178.6	52.7	0	0	0	0	113.9	Q49 E50 I51	Q49-S53 PolarHBondContact O-N 3.41Å; Q49-S53 PolarHBondContact O-OG 3.48Å; E50-S53 WeakPolarHBondContact CA-OG 3.35Å; E50-S53 PolarHBondContact O-N 3.45Å; E50-S53 PolarHBondContact O-OG 3.04Å; I51-S53 VanDerWaalsContact C-N 3.32Å; I51-S53 PolarHBondContact O-N 3.4Å
54	K	60.7	Low	58.1	Low	91 Å²	91	75.2 Å²	75.2	40%	0.396	42%	0.421	S	S	.	.	H	α-helix	trans	-98	-14.2	-179.8	-67.5	179.6	-176.4	173.4	0	114.5	E50 I51 P56 S57 L58	E50-K54 HydrophobicContact CG-CD 4.16Å; E50-K54 WeakPolarHBondContact O-CB 3.45Å; E50-K54 WeakPolarHBondContact O-CG 3.26Å; E50-K54 PolarHBondContact O-N 2.78Å; E50-K54 IonicContact OE1-NZ 2.72Å; E50-K54 PolarHBondContact OE1-NZ 3.42Å; I51-K54 CarbonylContact O-C 3.58Å; I51-K54 PolarHBondContact O-N 3.35Å; K54-P56 VanDerWaalsContact C-N 3.3Å; K54-S57 CarbonylContact O-C 3.54Å; K54-S57 WeakPolarHBondContact O-CA 3.35Å; K54-S57 PolarHBondContact O-N 3.19Å; K54-S57 PolarHBondContact O-OG 3.47Å; K54-L58 PolarHBondContact O-N 3.32Å; K54-L58 VanDerWaalsContact O-N 3.11Å
55	L	54.8	Low	59.6	Low	101 Å²	101	73.8 Å²	73.8	53%	0.529	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-47.3	-44.6	179.1	-110.9	150.9	0	0	0	113	I51 S57 L58	I51-L55 HydrophobicContact CG2-CD1 3.75Å; I51-L55 HydrophobicContact CG2-CG 4.01Å; I51-L55 WeakPolarHBondContact O-CA 3.4Å; I51-L55 WeakPolarHBondContact O-CB 3.31Å; I51-L55 WeakPolarHBondContact O-CD1 3.09Å; I51-L55 WeakPolarHBondContact O-CG 3.28Å; I51-L55 PolarHBondContact O-N 3.47Å; L55-S57 PolarHBondContact O-N 3.49Å; L55-L58 PolarHBondContact O-N 2.87Å
56	P	51.7	Low	61.3	Low	119 Å²	119	65.3 Å²	65.3	77%	0.773	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-65.8	-19.6	177.8	-20.3	32.7	0	0	0	114.3	K54	K54-P56 VanDerWaalsContact C-N 3.3Å
57	S	55.3	Low	63	Low	92 Å²	92	62 Å²	62	64%	0.643	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-104.5	-3.4	-178.4	68.1	0	0	0	0	113.8	K54 L55	K54-S57 CarbonylContact O-C 3.54Å; K54-S57 WeakPolarHBondContact O-CA 3.35Å; K54-S57 PolarHBondContact O-N 3.19Å; K54-S57 PolarHBondContact O-OG 3.47Å; L55-S57 PolarHBondContact O-N 3.49Å
58	L	58.5	Low	64.4	Low	54 Å²	54	61.7 Å²	61.7	28%	0.283	35%	0.354	S	S	.	.	S	Bend	trans	-81.5	134.5	176.8	-74.8	173.3	0	0	0	109	K54 L55 D60 I62 Y79	K54-L58 PolarHBondContact O-N 3.32Å; K54-L58 VanDerWaalsContact O-N 3.11Å; L55-L58 PolarHBondContact O-N 2.87Å; L58-D60 PolarHBondContact O-N 2.79Å; L58-I62 HydrophobicContact CD2-CD1 4.14Å; L58-Y79 HydrophobicContact CD2-CE1 4.31Å
59	D	62.4	Low	65.6	Low	75 Å²	75	57.6 Å²	57.6	40%	0.401	33%	0.332	S	S	.	.			trans	-66.2	129.9	176	-167	-32.4	0	0	0	109.3	G61 I62 R81	D59-G61 PolarHBondContact O-N 3.48Å; D59-I62 HydrophobicContact CB-CD1 4.17Å; D59-I62 HydrophobicContact CB-CG1 4.38Å; D59-I62 PolarHBondContact O-N 2.99Å; D59-R81 VanDerWaalsContact CB-NH2 3.27Å; D59-R81 VanDerWaalsContact CG-NH2 3.35Å; D59-R81 IonicContact OD2-CZ 3.67Å; D59-R81 IonicContact OD2-NH1 3.3Å; D59-R81 PolarHBondContact OD2-NH1 3.35Å; D59-R81 IonicContact OD2-NH2 3.29Å; D59-R81 PolarHBondContact OD2-NH2 3.02Å
60	D	66.6	Low	66.7	Low	170 Å²	170	51.1 Å²	51.1	91%	0.909	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-17.1	-175.2	-67.4	-26.6	0	0	0	113.6	L58	L58-D60 PolarHBondContact O-N 2.79Å
61	G	72.8	Confident	67.5	Low	39 Å²	39	51.4 Å²	51.4	40%	0.402	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-6	175.9	0	0	0	0	0	116.1	D59 R81	D59-G61 PolarHBondContact O-N 3.48Å; G61-R81 WeakPolarHBondContact O-CA 3.41Å
62	I	74.2	Confident	68.2	Low	31 Å²	31	53 Å²	53	16%	0.159	31%	0.311	C	S	.	.			trans	-86.8	113	-178.1	-61.5	170	0	0	0	110.2	L58 D59 G64 Y79 L80 R81	L58-I62 HydrophobicContact CD2-CD1 4.14Å; D59-I62 HydrophobicContact CB-CD1 4.17Å; D59-I62 HydrophobicContact CB-CG1 4.38Å; D59-I62 PolarHBondContact O-N 2.99Å; I62-G64 WeakPolarHBondContact CG2-O 3.46Å; I62-Y79 HydrophobicContact CD1-CD1 4.31Å; I62-Y79 HydrophobicContact CD1-CG 4.38Å; I62-Y79 HydrophobicContact CG2-CD1 4.13Å; I62-L80 WeakPolarHBondContact CA-O 3Å; I62-R81 HydrophobicContact CG1-CG 3.78Å
63	W	77.2	Confident	68.8	Low	43 Å²	43	58 Å²	58	16%	0.163	32%	0.317	C	S	.	.			trans	-100.4	-10.9	178.3	61.5	-94	0	0	0	113.6	L80 R81 A82 I126 I128	W63-L80 HydrophobicContact CD2-CB 4.2Å; W63-L80 HydrophobicContact CH2-CB 4.24Å; W63-L80 HydrophobicContact CH2-CD1 3.52Å; W63-L80 HydrophobicContact CZ2-CB 3.73Å; W63-L80 HydrophobicContact CZ2-CD1 3.83Å; W63-L80 HydrophobicContact CZ2-CG 4.39Å; W63-L80 HydrophobicContact CZ3-CD1 3.94Å; W63-L80 PolarHBondContact N-O 3.17Å; W63-R81 PolarHBondContact NE1-O 2.81Å; W63-A82 VanDerWaalsContact CE2-O 3.3Å; W63-A82 WeakPolarHBondContact CZ2-O 3.44Å; W63-A82 PolarHBondContact NE1-O 3.36Å; W63-I126 HydrophobicContact CH2-CG2 4.12Å; W63-I128 HydrophobicContact CB-CD1 3.87Å; W63-I128 HydrophobicContact CD2-CB 4.12Å; W63-I128 HydrophobicContact CD2-CD1 4.18Å; W63-I128 HydrophobicContact CD2-CG2 3.8Å; W63-I128 HydrophobicContact CE3-CB 4.06Å; W63-I128 HydrophobicContact CE3-CD1 4.06Å; W63-I128 HydrophobicContact CE3-CG2 4.26Å; W63-I128 HydrophobicContact CG-CD1 4.14Å; W63-I128 HydrophobicContact CG-CG2 4Å; W63-I128 HydrophobicContact CZ2-CG2 4.32Å; W63-I128 HydrophobicContact CZ3-CB 4.31Å
64	G	74.6	Confident	69.6	Low	5 Å²	5	55.4 Å²	55.4	5%	0.052	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	162.4	-177.5	0	0	0	0	0	113.5	I62 L80	I62-G64 WeakPolarHBondContact CG2-O 3.46Å; G64-L80 WeakPolarHBondContact O-CB 3.34Å; G64-L80 PolarHBondContact O-N 3.4Å
65	K	77	Confident	70.5	Confident	12 Å²	12	51.4 Å²	51.4	5%	0.052	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.1	167.3	166.4	174.1	155.2	-152.8	0	108.5	I67 A78 Y79 F186 T187	K65-I67 HydrophobicContact CG-CG1 4.32Å; K65-A78 CarbonylContact C-O 3.51Å; K65-A78 WeakPolarHBondContact CA-O 3.31Å; K65-Y79 HydrophobicContact CB-CD1 4.12Å; K65-Y79 HydrophobicContact CB-CE1 4.31Å; K65-Y79 HydrophobicContact CD-CD1 4.35Å; K65-Y79 HydrophobicContact CD-CE1 3.75Å; K65-Y79 HydrophobicContact CG-CD1 4.42Å; K65-Y79 HydrophobicContact CG-CE1 4.31Å; K65-F186 HydrophobicContact CB-CD1 3.74Å; K65-F186 HydrophobicContact CB-CE1 3.3Å; K65-F186 HydrophobicContact CB-CZ 3.87Å; K65-F186 HydrophobicContact CD-CD1 4.35Å; K65-F186 HydrophobicContact CD-CE1 3.35Å; K65-F186 HydrophobicContact CD-CZ 3.95Å; K65-F186 HydrophobicContact CG-CD1 3.87Å; K65-F186 HydrophobicContact CG-CE1 3.32Å; K65-F186 HydrophobicContact CG-CZ 4.2Å; K65-F186 VanDerWaalsContact O-CD1 3.23Å; K65-F186 WeakPolarHBondContact O-CD1 3.43Å; K65-T187 PolarHBondContact O-N 3.11Å
66	L	80.3	Confident	71.7	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131	174.9	172	68.7	0	0	0	108.5	L68 K77 A78 L80 L85 V87 V99 T187 Y189	L66-L68 HydrophobicContact CD1-CD2 3.96Å; L66-L68 HydrophobicContact CD2-CD2 4.07Å; L66-L68 HydrophobicContact CD2-CG 4.33Å; L66-L68 HydrophobicContact CG-CD2 4.15Å; L66-L68 HydrophobicContact CG-CG 4.45Å; L66-K77 CarbonylContact O-C 3.51Å; L66-K77 VanDerWaalsContact O-CA 3.31Å; L66-K77 WeakPolarHBondContact O-CA 3.13Å; L66-A78 HydrophobicContact CB-CB 4.34Å; L66-A78 PolarHBondContact N-O 3.35Å; L66-A78 PolarHBondContact O-N 3.06Å; L66-L80 HydrophobicContact CB-CD1 4.32Å; L66-L80 HydrophobicContact CB-CD2 3.95Å; L66-L80 HydrophobicContact CB-CG 4.25Å; L66-L85 HydrophobicContact CB-CD2 4.49Å; L66-L85 HydrophobicContact CD1-CD2 4.47Å; L66-L85 HydrophobicContact CD2-CD2 3.85Å; L66-L85 HydrophobicContact CG-CD2 4.49Å; L66-V87 HydrophobicContact CD2-CG2 4.41Å; L66-V99 HydrophobicContact CD2-CG2 3.78Å; L66-T187 HydrophobicContact CD1-CG2 4.31Å; L66-Y189 HydrophobicContact CD1-CD2 3.45Å; L66-Y189 VanDerWaalsContact CD1-CD2 3.45Å; L66-Y189 HydrophobicContact CD1-CE2 3.36Å
67	I	80.2	Confident	73	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.7	169.9	-56	177	0	0	0	107.2	K65 M69 R74 F186 T187 A188 Y189	K65-I67 HydrophobicContact CG-CG1 4.32Å; I67-M69 HydrophobicContact CG2-CG 3.91Å; I67-M69 HydrophobicContact CG2-SD 4.41Å; I67-R74 HydrophobicContact CG2-CG 3.84Å; I67-F186 HydrophobicContact CD1-CD1 4.21Å; I67-F186 HydrophobicContact CD1-CE1 4.34Å; I67-T187 PolarHBondContact N-O 2.7Å; I67-A188 HydrophobicContact CB-CB 4.46Å; I67-A188 CarbonylContact O-C 3.6Å; I67-A188 VanDerWaalsContact O-CA 3.26Å; I67-A188 WeakPolarHBondContact O-CA 3.45Å; I67-Y189 PolarHBondContact O-N 3.15Å
68	L	81	Confident	74	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.4	171.3	-60.8	-174.5	0	0	0	109.2	L66 R74 I75 A76 V87 V99 F101 F104 Y189	L66-L68 HydrophobicContact CD1-CD2 3.96Å; L66-L68 HydrophobicContact CD2-CD2 4.07Å; L66-L68 HydrophobicContact CD2-CG 4.33Å; L66-L68 HydrophobicContact CG-CD2 4.15Å; L66-L68 HydrophobicContact CG-CG 4.45Å; L68-R74 CarbonylContact O-C 3.55Å; L68-I75 HydrophobicContact CB-CB 4.31Å; L68-I75 PolarHBondContact O-N 2.68Å; L68-A76 HydrophobicContact CB-CB 4.18Å; L68-A76 HydrophobicContact CD1-CB 4.18Å; L68-A76 HydrophobicContact CG-CB 4.37Å; L68-A76 PolarHBondContact N-O 3.4Å; L68-A76 PolarHBondContact O-N 2.97Å; L68-V87 HydrophobicContact CD2-CG1 4.44Å; L68-V99 HydrophobicContact CD1-CG1 3.71Å; L68-F101 HydrophobicContact CB-CE2 4.21Å; L68-F101 HydrophobicContact CD1-CD2 3.93Å; L68-F101 HydrophobicContact CD1-CE2 4.27Å; L68-F101 HydrophobicContact CD2-CD2 4.14Å; L68-F101 HydrophobicContact CD2-CE2 4.19Å; L68-F101 HydrophobicContact CG-CD2 4.49Å; L68-F101 HydrophobicContact CG-CE2 4.47Å; L68-F104 HydrophobicContact CD1-CD2 3.89Å; L68-F104 HydrophobicContact CD1-CE2 3.45Å; L68-F104 VanDerWaalsContact CD1-CE2 3.45Å; L68-F104 HydrophobicContact CD1-CZ 4.25Å; L68-Y189 HydrophobicContact CD2-CD2 3.49Å; L68-Y189 VanDerWaalsContact CD2-CD2 3.49Å; L68-Y189 HydrophobicContact CD2-CE2 4.29Å; L68-Y189 HydrophobicContact CD2-CG 3.86Å
69	M	77	Confident	74.8	Confident	16 Å²	16	39.1 Å²	39.1	8%	0.079	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.5	179.7	-47.3	-178.3	80.7	0	0	110	F24 I67 R73 A188 Y189 L191	F24-M69 HydrophobicContact CD2-CE 4.22Å; F24-M69 HydrophobicContact CE2-CE 4.33Å; I67-M69 HydrophobicContact CG2-CG 3.91Å; I67-M69 HydrophobicContact CG2-SD 4.41Å; M69-R73 CarbonylContact C-O 3.49Å; M69-R73 VanDerWaalsContact CA-O 3.25Å; M69-R73 WeakPolarHBondContact CA-O 3.4Å; M69-A188 HydrophobicContact SD-CB 4.48Å; M69-Y189 CarbonylContact C-O 3.58Å; M69-Y189 VanDerWaalsContact CA-O 3.23Å; M69-Y189 WeakPolarHBondContact CA-O 3.43Å; M69-Y189 WeakPolarHBondContact CB-O 3.32Å; M69-Y189 PolarHBondContact N-O 3.31Å; M69-Y189 VanDerWaalsContact O-O 3.06Å; M69-L191 PolarHBondContact O-N 3.49Å
70	E	74.9	Confident	75.6	Confident	10 Å²	10	35.8 Å²	35.8	5%	0.047	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	109.8	169.9	-170.1	166.9	137.1	0	0	106	N72 R73 I75 L106 R109 T113 R117 L191	E70-N72 PolarHBondContact O-N 3.12Å; E70-R73 PolarHBondContact N-O 3.47Å; E70-R73 PolarHBondContact O-N 2.49Å; E70-I75 HydrophobicContact CB-CD1 3.51Å; E70-I75 HydrophobicContact CB-CG1 3.73Å; E70-L106 HydrophobicContact CB-CD1 3.96Å; E70-L106 HydrophobicContact CG-CD1 4.09Å; E70-L106 WeakPolarHBondContact OE1-CD1 3.23Å; E70-L106 WeakPolarHBondContact OE2-CD1 3.25Å; E70-R109 WeakPolarHBondContact OE1-CD 3.17Å; E70-R109 WeakPolarHBondContact OE1-CG 3.4Å; E70-R109 IonicContact OE1-CZ 2.62Å; E70-R109 IonicContact OE1-NE 3.02Å; E70-R109 PolarHBondContact OE1-NE 2.58Å; E70-R109 IonicContact OE1-NH2 2.74Å; E70-R109 IonicContact OE2-CZ 2.64Å; E70-R109 IonicContact OE2-NE 3.02Å; E70-R109 PolarHBondContact OE2-NE 3.13Å; E70-R109 IonicContact OE2-NH2 3.55Å; E70-R109 PolarHBondContact OE2-NH2 2.9Å; E70-T113 HydrophobicContact CG-CG2 3.34Å; E70-T113 WeakPolarHBondContact OE1-CG2 3.26Å; E70-R117 IonicContact OE2-CZ 2.96Å; E70-R117 IonicContact OE2-NH1 3.99Å; E70-R117 PolarHBondContact OE2-NH1 3.39Å; E70-L191 HydrophobicContact CG-CD1 4.35Å
71	K	72.2	Confident	76.3	Confident	62 Å²	62	32.6 Å²	32.6	27%	0.27	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	-121.3	-168.1	-55.9	176.9	171.3	-179.2	0	110.5	R73 D110 T113 N190 L191 A193	K71-R73 VanDerWaalsContact C-N 3.35Å; K71-D110 WeakPolarHBondContact CE-OD2 3.41Å; K71-D110 VanDerWaalsContact NZ-CG 3.32Å; K71-D110 IonicContact NZ-OD1 3.84Å; K71-D110 IonicContact NZ-OD2 3.33Å; K71-D110 PolarHBondContact NZ-OD2 3.41Å; K71-T113 WeakPolarHBondContact CE-OG1 3.26Å; K71-N190 PolarHBondContact O-ND2 3.16Å; K71-N190 PolarHBondContact O-OD1 3.2Å; K71-L191 WeakPolarHBondContact CA-O 3.08Å; K71-L191 WeakPolarHBondContact CG-O 3.44Å; K71-L191 PolarHBondContact N-O 2.72Å; K71-A193 VanDerWaalsContact CE-O 3.27Å; K71-A193 WeakPolarHBondContact CE-O 3.39Å
72	N	70.7	Confident	76.8	Confident	56 Å²	56	32.4 Å²	32.4	30%	0.299	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	11	-179.1	-57.6	-15.1	0	0	0	113.2	L26 Y30 E70	L26-N72 HydrophobicContact CD2-CB 4.38Å; L26-N72 VanDerWaalsContact CD2-CG 3.42Å; L26-N72 WeakPolarHBondContact CD2-OD1 3.37Å; Y30-N72 PolarHBondContact OH-ND2 2.7Å; E70-N72 PolarHBondContact O-N 3.12Å
73	R	67.5	Low	77.5	Confident	147 Å²	147	34.8 Å²	34.8	56%	0.555	16%	0.162	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.4	-177.7	-66.7	-174.2	179.4	174.5	0.8	110.9	M69 E70 K71 I75	M69-R73 CarbonylContact C-O 3.49Å; M69-R73 VanDerWaalsContact CA-O 3.25Å; M69-R73 WeakPolarHBondContact CA-O 3.4Å; E70-R73 PolarHBondContact N-O 3.47Å; E70-R73 PolarHBondContact O-N 2.49Å; K71-R73 VanDerWaalsContact C-N 3.35Å; R73-I75 PolarHBondContact O-N 2.97Å
74	R	73.1	Confident	78	Confident	34 Å²	34	35.5 Å²	35.5	13%	0.128	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120.8	169.9	179.8	-177.6	63.8	176.4	-4.4	109.2	S17 E20 I67 L68	S17-R74 PolarHBondContact OG-NH2 3.04Å; E20-R74 IonicContact OE1-CZ 3.97Å; E20-R74 IonicContact OE1-NH1 2.67Å; E20-R74 PolarHBondContact OE1-NH1 2.81Å; E20-R74 IonicContact OE1-NH2 2.85Å; E20-R74 IonicContact OE2-CZ 3.85Å; E20-R74 IonicContact OE2-NH1 3.65Å; E20-R74 PolarHBondContact OE2-NH1 2.97Å; I67-R74 HydrophobicContact CG2-CG 3.84Å; L68-R74 CarbonylContact O-C 3.55Å
75	I	79.2	Confident	78.7	Confident	7 Å²	7	35.3 Å²	35.3	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-44.3	179.5	-48	172	0	0	0	110.8	L68 E70 R73 F101 F104 L106	L68-I75 HydrophobicContact CB-CB 4.31Å; L68-I75 PolarHBondContact O-N 2.68Å; E70-I75 HydrophobicContact CB-CD1 3.51Å; E70-I75 HydrophobicContact CB-CG1 3.73Å; R73-I75 PolarHBondContact O-N 2.97Å; I75-F101 HydrophobicContact CD1-CE1 4.09Å; I75-F101 HydrophobicContact CD1-CE2 4.02Å; I75-F101 HydrophobicContact CD1-CZ 3.48Å; I75-F101 VanDerWaalsContact CD1-CZ 3.48Å; I75-F104 HydrophobicContact CG2-CB 3.17Å; I75-F104 HydrophobicContact CG2-CD1 4.42Å; I75-F104 HydrophobicContact CG2-CD2 4.25Å; I75-F104 HydrophobicContact CG2-CG 3.71Å; I75-L106 HydrophobicContact CG1-CD1 4.42Å
76	A	78.9	Confident	79.3	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	153.9	-171.5	0	0	0	0	0	110.9	I12 L68 F104	I12-A76 HydrophobicContact CG2-CB 3.59Å; L68-A76 HydrophobicContact CB-CB 4.18Å; L68-A76 HydrophobicContact CD1-CB 4.18Å; L68-A76 HydrophobicContact CG-CB 4.37Å; L68-A76 PolarHBondContact N-O 3.4Å; L68-A76 PolarHBondContact O-N 2.97Å; A76-F104 HydrophobicContact CB-CD1 3.99Å; A76-F104 HydrophobicContact CB-CD2 4.5Å; A76-F104 HydrophobicContact CB-CE1 3.77Å; A76-F104 HydrophobicContact CB-CE2 4.3Å; A76-F104 HydrophobicContact CB-CG 4.38Å; A76-F104 HydrophobicContact CB-CZ 3.95Å
77	K	79.8	Confident	79.6	Confident	37 Å²	37	38 Å²	38	16%	0.161	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.7	164.4	69.5	-179.7	-176.5	179.6	0	110.9	I12 L13 L66	I12-K77 WeakPolarHBondContact CA-O 3.38Å; L13-K77 HydrophobicContact CB-CD 4.31Å; L13-K77 VanDerWaalsContact CB-CE 3.49Å; L13-K77 HydrophobicContact CB-CG 3.9Å; L13-K77 PolarHBondContact N-O 3.3Å; L13-K77 PolarHBondContact O-N 3.14Å; L66-K77 CarbonylContact O-C 3.51Å; L66-K77 VanDerWaalsContact O-CA 3.31Å; L66-K77 WeakPolarHBondContact O-CA 3.13Å
78	A	76	Confident	80.1	Confident	1 Å²	1	39 Å²	39	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	145.2	175.4	0	0	0	0	0	110.5	I12 K65 L66 F94	I12-A78 HydrophobicContact CG1-CB 4.18Å; K65-A78 CarbonylContact C-O 3.51Å; K65-A78 WeakPolarHBondContact CA-O 3.31Å; L66-A78 HydrophobicContact CB-CB 4.34Å; L66-A78 PolarHBondContact N-O 3.35Å; L66-A78 PolarHBondContact O-N 3.06Å; A78-F94 HydrophobicContact CB-CE1 3.97Å; A78-F94 HydrophobicContact CB-CZ 3.97Å
79	Y	75.7	Confident	80.3	Confident	69 Å²	69	39.6 Å²	39.6	27%	0.271	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.1	170.5	-66.8	-87.5	0	0	0	109	L58 I62 K65	L58-Y79 HydrophobicContact CD2-CE1 4.31Å; I62-Y79 HydrophobicContact CD1-CD1 4.31Å; I62-Y79 HydrophobicContact CD1-CG 4.38Å; I62-Y79 HydrophobicContact CG2-CD1 4.13Å; K65-Y79 HydrophobicContact CB-CD1 4.12Å; K65-Y79 HydrophobicContact CB-CE1 4.31Å; K65-Y79 HydrophobicContact CD-CD1 4.35Å; K65-Y79 HydrophobicContact CD-CE1 3.75Å; K65-Y79 HydrophobicContact CG-CD1 4.42Å; K65-Y79 HydrophobicContact CG-CE1 4.31Å
80	L	79.3	Confident	80.7	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.4	-173.2	-53.5	-177.5	0	0	0	109.7	I62 W63 G64 L66 L85	I62-L80 WeakPolarHBondContact CA-O 3Å; W63-L80 HydrophobicContact CD2-CB 4.2Å; W63-L80 HydrophobicContact CH2-CB 4.24Å; W63-L80 HydrophobicContact CH2-CD1 3.52Å; W63-L80 HydrophobicContact CZ2-CB 3.73Å; W63-L80 HydrophobicContact CZ2-CD1 3.83Å; W63-L80 HydrophobicContact CZ2-CG 4.39Å; W63-L80 HydrophobicContact CZ3-CD1 3.94Å; W63-L80 PolarHBondContact N-O 3.17Å; G64-L80 WeakPolarHBondContact O-CB 3.34Å; G64-L80 PolarHBondContact O-N 3.4Å; L66-L80 HydrophobicContact CB-CD1 4.32Å; L66-L80 HydrophobicContact CB-CD2 3.95Å; L66-L80 HydrophobicContact CB-CG 4.25Å; L80-L85 HydrophobicContact CD1-CD2 3.87Å; L80-L85 HydrophobicContact CD2-CD1 3.91Å; L80-L85 HydrophobicContact CD2-CD2 3.51Å; L80-L85 HydrophobicContact CD2-CG 4.2Å; L80-L85 HydrophobicContact CG-CD2 4.35Å
81	R	80.5	Confident	81.3	Confident	102 Å²	102	49.2 Å²	49.2	39%	0.385	24%	0.236	S	C	.	.			trans	-114.9	-42.2	174.6	-63.7	-178.4	-179.2	-150.1	-5.2	111.8	D59 G61 I62 W63	D59-R81 VanDerWaalsContact CB-NH2 3.27Å; D59-R81 VanDerWaalsContact CG-NH2 3.35Å; D59-R81 IonicContact OD2-CZ 3.67Å; D59-R81 IonicContact OD2-NH1 3.3Å; D59-R81 PolarHBondContact OD2-NH1 3.35Å; D59-R81 IonicContact OD2-NH2 3.29Å; D59-R81 PolarHBondContact OD2-NH2 3.02Å; G61-R81 WeakPolarHBondContact O-CA 3.41Å; I62-R81 HydrophobicContact CG1-CG 3.78Å; W63-R81 PolarHBondContact NE1-O 2.81Å
82	A	84.6	Confident	81.6	Confident	36 Å²	36	52.6 Å²	52.6	30%	0.298	26%	0.256	S	S	.	.	S	Bend	trans	-62.2	138.1	176.6	0	0	0	0	0	110.2	W63 S84	W63-A82 VanDerWaalsContact CE2-O 3.3Å; W63-A82 WeakPolarHBondContact CZ2-O 3.44Å; W63-A82 PolarHBondContact NE1-O 3.36Å; A82-S84 PolarHBondContact O-N 3Å
83	P	87.3	Confident	82	Confident	80 Å²	80	51.6 Å²	51.6	52%	0.519	26%	0.259	S	S	.	.	S	Bend	trans	-65.8	-12.7	-176.6	27	-36	0	0	0	113.1	K127 I128	P83-K127 CarbonylContact O-C 3.54Å; P83-K127 VanDerWaalsContact O-CA 3.26Å; P83-K127 WeakPolarHBondContact O-CA 3.37Å; P83-K127 VanDerWaalsContact O-CG 3.31Å; P83-K127 WeakPolarHBondContact O-CG 3.41Å; P83-I128 HydrophobicContact CB-CG2 4.19Å; P83-I128 PolarHBondContact O-N 2.91Å
84	S	88	Confident	82.6	Confident	58 Å²	58	46.6 Å²	46.6	41%	0.406	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.6	176.2	58.4	0	0	0	0	111.2	A82 I126	A82-S84 PolarHBondContact O-N 3Å; S84-I126 CarbonylContact C-O 3.55Å; S84-I126 WeakPolarHBondContact CA-O 3.26Å
85	L	89.2	Confident	83	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.1	176.4	-177.6	72.4	0	0	0	109.3	L66 L80 V87 F94 G97 V99 A125 I126	L66-L85 HydrophobicContact CB-CD2 4.49Å; L66-L85 HydrophobicContact CD1-CD2 4.47Å; L66-L85 HydrophobicContact CD2-CD2 3.85Å; L66-L85 HydrophobicContact CG-CD2 4.49Å; L80-L85 HydrophobicContact CD1-CD2 3.87Å; L80-L85 HydrophobicContact CD2-CD1 3.91Å; L80-L85 HydrophobicContact CD2-CD2 3.51Å; L80-L85 HydrophobicContact CD2-CG 4.2Å; L80-L85 HydrophobicContact CG-CD2 4.35Å; L85-V87 HydrophobicContact CD2-CG2 4.09Å; L85-V87 HydrophobicContact CG-CG2 4.28Å; L85-F94 HydrophobicContact CD1-CE2 3.86Å; L85-G97 CarbonylContact C-O 3.58Å; L85-G97 VanDerWaalsContact CA-O 3.27Å; L85-G97 WeakPolarHBondContact CA-O 3.47Å; L85-V99 HydrophobicContact CD1-CG2 3.76Å; L85-V99 HydrophobicContact CG-CG2 4.49Å; L85-A125 CarbonylContact O-C 3.54Å; L85-A125 WeakPolarHBondContact O-CA 3.13Å; L85-I126 PolarHBondContact N-O 3.26Å; L85-I126 PolarHBondContact O-N 2.78Å; L85-I126 VanDerWaalsContact O-O 3.07Å
86	Q	89.2	Confident	82.8	Confident	66 Å²	66	51 Å²	51	31%	0.308	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.9	171.3	-58	-172.8	-7.4	0	0	108.3	G97 V98 V99 A125 R139	Q86-G97 PolarHBondContact N-O 2.94Å; Q86-V98 HydrophobicContact CB-CG1 4.37Å; Q86-V98 HydrophobicContact CB-CG2 4.22Å; Q86-V98 CarbonylContact O-C 3.52Å; Q86-V98 VanDerWaalsContact O-CA 3.31Å; Q86-V98 WeakPolarHBondContact O-CA 3.38Å; Q86-V99 PolarHBondContact O-N 3.46Å; Q86-A125 HydrophobicContact CG-CB 4.24Å; Q86-R139 VanDerWaalsContact CD-NH1 3.26Å
87	V	88.5	Confident	83	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.024	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	112.2	172.5	-176.2	0	0	0	0	106.7	L66 L68 L85 V99 G123 V124 Y189	L66-V87 HydrophobicContact CD2-CG2 4.41Å; L68-V87 HydrophobicContact CD2-CG1 4.44Å; L85-V87 HydrophobicContact CD2-CG2 4.09Å; L85-V87 HydrophobicContact CG-CG2 4.28Å; V87-V99 WeakPolarHBondContact CA-O 3.24Å; V87-V99 HydrophobicContact CG2-CB 4.26Å; V87-G123 CarbonylContact O-C 3.6Å; V87-G123 VanDerWaalsContact O-CA 3.3Å; V87-G123 WeakPolarHBondContact O-CA 3.35Å; V87-V124 HydrophobicContact CB-CG1 4.3Å; V87-V124 PolarHBondContact N-O 3.15Å; V87-V124 PolarHBondContact O-N 2.8Å; V87-Y189 HydrophobicContact CB-CE1 4.27Å; V87-Y189 HydrophobicContact CB-CE2 4.25Å; V87-Y189 HydrophobicContact CG1-CE1 4.17Å; V87-Y189 HydrophobicContact CG1-CE2 4.27Å; V87-Y189 HydrophobicContact CG2-CE2 3.71Å; V87-Y189 WeakPolarHBondContact CG2-OH 3.17Å
88	D	88.7	Confident	83.4	Confident	25 Å²	25	51.6 Å²	51.6	13%	0.134	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	175.5	-177	69.7	25.7	0	0	0	111.6	S90 V99 G100 F101	D88-S90 PolarHBondContact O-N 3.19Å; D88-S90 WeakPolarHBondContact OD1-CA 3.1Å; D88-S90 WeakPolarHBondContact OD1-CB 3.42Å; D88-S90 PolarHBondContact OD1-N 3.47Å; D88-S90 PolarHBondContact OD1-OG 3.22Å; D88-V99 PolarHBondContact N-O 3.33Å; D88-G100 WeakPolarHBondContact OD1-CA 3.44Å; D88-F101 WeakPolarHBondContact O-CB 3.31Å; D88-F101 PolarHBondContact O-N 3.15Å
89	G	85.3	Confident	83.9	Confident	15 Å²	15	51.6 Å²	51.6	16%	0.155	28%	0.282	C	S	.	.	S	Bend	trans	-85.7	13.7	178.2	0	0	0	0	0	113.3	N102 C121	G89-N102 WeakPolarHBondContact O-CB 3.41Å; G89-N102 PolarHBondContact O-ND2 3.08Å; G89-C121 PolarHBondContact N-O 2.88Å
90	S	86.9	Confident	84.4	Confident	29 Å²	29	48.3 Å²	48.3	20%	0.203	27%	0.269	C	S	.	.			trans	-72.7	167.7	179.5	78	0	0	0	0	111.4	D88 L92 G100 N102	D88-S90 PolarHBondContact O-N 3.19Å; D88-S90 WeakPolarHBondContact OD1-CA 3.1Å; D88-S90 WeakPolarHBondContact OD1-CB 3.42Å; D88-S90 PolarHBondContact OD1-N 3.47Å; D88-S90 PolarHBondContact OD1-OG 3.22Å; S90-L92 VanDerWaalsContact C-N 3.34Å; S90-L92 PolarHBondContact OG-N 2.99Å; S90-G100 CarbonylContact O-C 3.38Å; S90-G100 WeakPolarHBondContact O-CA 3.26Å; S90-G100 WeakPolarHBondContact OG-CA 3.19Å; S90-N102 WeakPolarHBondContact O-CA 3.37Å; S90-N102 WeakPolarHBondContact O-CB 2.96Å; S90-N102 PolarHBondContact O-N 3.24Å
91	R	86.7	Confident	84.8	Confident	198 Å²	198	48.1 Å²	48.1	75%	0.747	27%	0.268	S	S	*	.	S	Bend	trans	-96.1	7.2	170.2	-63	178.2	-178.8	-110	3.6	112	G93 N102 S103	R91-G93 PolarHBondContact O-N 3.11Å; R91-N102 HydrophobicContact CG-CB 3.86Å; R91-S103 WeakPolarHBondContact O-CB 3.28Å
92	L	78.4	Confident	85	Confident	134 Å²	134	44.3 Å²	44.3	70%	0.702	26%	0.256	S	S	*	.			trans	-77.5	100.9	176.8	-58.4	174.9	0	0	0	107	S90 G100	S90-L92 VanDerWaalsContact C-N 3.34Å; S90-L92 PolarHBondContact OG-N 2.99Å; L92-G100 WeakPolarHBondContact O-CA 3.33Å; L92-G100 PolarHBondContact O-N 3.25Å
93	G	79.4	Confident	85	Confident	34 Å²	34	44.2 Å²	44.2	35%	0.351	25%	0.252	S	S	.	.			trans	-34.5	-111	-171.3	0	0	0	0	0	117.7	R91 V99 G100 S103	R91-G93 PolarHBondContact O-N 3.11Å; G93-V99 WeakPolarHBondContact O-CA 3.44Å; G93-G100 PolarHBondContact O-N 3.14Å; G93-S103 WeakPolarHBondContact CA-OG 3.4Å
94	F	81.2	Confident	84.8	Confident	43 Å²	43	40.9 Å²	40.9	19%	0.189	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-141.9	121.9	172.2	174	-119.8	0	0	0	109.9	I10 I12 A78 L85 G96 V98 V99	I10-F94 HydrophobicContact CG2-CD1 4.15Å; I10-F94 HydrophobicContact CG2-CE1 3.96Å; I12-F94 HydrophobicContact CD1-CB 3.15Å; I12-F94 HydrophobicContact CD1-CD1 3.74Å; I12-F94 HydrophobicContact CD1-CD2 4.43Å; I12-F94 HydrophobicContact CD1-CG 3.54Å; I12-F94 HydrophobicContact CG1-CB 3.82Å; I12-F94 HydrophobicContact CG1-CD1 3.5Å; I12-F94 HydrophobicContact CG1-CE1 4.27Å; I12-F94 HydrophobicContact CG1-CG 3.89Å; A78-F94 HydrophobicContact CB-CE1 3.97Å; A78-F94 HydrophobicContact CB-CZ 3.97Å; L85-F94 HydrophobicContact CD1-CE2 3.86Å; F94-G96 VanDerWaalsContact CE2-CA 3.46Å; F94-G96 VanDerWaalsContact CZ-CA 3.43Å; F94-V98 WeakPolarHBondContact CA-O 3.34Å; F94-V98 WeakPolarHBondContact CD2-O 3.43Å; F94-V99 HydrophobicContact CD2-CB 4.35Å; F94-V99 HydrophobicContact CD2-CG2 3.28Å; F94-V99 HydrophobicContact CE2-CG2 3.66Å; F94-V99 HydrophobicContact CG-CG2 4.24Å
95	D	80.7	Confident	84	Confident	114 Å²	114	42.7 Å²	42.7	61%	0.61	24%	0.24	S	C	*	.			trans	-106.7	3.8	-179.4	65.5	8.4	0	0	0	112.9	G97 V98	D95-G97 WeakPolarHBondContact OD1-CA 3.08Å; D95-G97 PolarHBondContact OD1-N 3.03Å; D95-V98 PolarHBondContact N-O 3.12Å; D95-V98 PolarHBondContact OD1-N 3.38Å
96	G	74.8	Confident	83.1	Confident	18 Å²	18	44.5 Å²	44.5	19%	0.186	25%	0.249	C	C	.	.	S	Bend	trans	99.3	-22	-174.4	0	0	0	0	0	114.4	F94	F94-G96 VanDerWaalsContact CE2-CA 3.46Å; F94-G96 VanDerWaalsContact CZ-CA 3.43Å
97	G	83.5	Confident	81.7	Confident	21 Å²	21	47.7 Å²	47.7	22%	0.216	28%	0.276	C	S	.	.	S	Bend	trans	-124	-21.8	-180	0	0	0	0	0	114.2	L85 Q86 D95	L85-G97 CarbonylContact C-O 3.58Å; L85-G97 VanDerWaalsContact CA-O 3.27Å; L85-G97 WeakPolarHBondContact CA-O 3.47Å; Q86-G97 PolarHBondContact N-O 2.94Å; D95-G97 WeakPolarHBondContact OD1-CA 3.08Å; D95-G97 PolarHBondContact OD1-N 3.03Å
98	V	87.3	Confident	80.6	Confident	31 Å²	31	51.2 Å²	51.2	19%	0.188	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.4	179.4	-174.2	0	0	0	0	108.9	Q86 F94 D95	Q86-V98 HydrophobicContact CB-CG1 4.37Å; Q86-V98 HydrophobicContact CB-CG2 4.22Å; Q86-V98 CarbonylContact O-C 3.52Å; Q86-V98 VanDerWaalsContact O-CA 3.31Å; Q86-V98 WeakPolarHBondContact O-CA 3.38Å; F94-V98 WeakPolarHBondContact CA-O 3.34Å; F94-V98 WeakPolarHBondContact CD2-O 3.43Å; D95-V98 PolarHBondContact N-O 3.12Å; D95-V98 PolarHBondContact OD1-N 3.38Å
99	V	86.2	Confident	79.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	107.9	175.2	-176.9	0	0	0	0	108	L66 L68 L85 Q86 V87 D88 G93 F94 F101 F104	L66-V99 HydrophobicContact CD2-CG2 3.78Å; L68-V99 HydrophobicContact CD1-CG1 3.71Å; L85-V99 HydrophobicContact CD1-CG2 3.76Å; L85-V99 HydrophobicContact CG-CG2 4.49Å; Q86-V99 PolarHBondContact O-N 3.46Å; V87-V99 WeakPolarHBondContact CA-O 3.24Å; V87-V99 HydrophobicContact CG2-CB 4.26Å; D88-V99 PolarHBondContact N-O 3.33Å; G93-V99 WeakPolarHBondContact O-CA 3.44Å; F94-V99 HydrophobicContact CD2-CB 4.35Å; F94-V99 HydrophobicContact CD2-CG2 3.28Å; F94-V99 HydrophobicContact CE2-CG2 3.66Å; F94-V99 HydrophobicContact CG-CG2 4.24Å; V99-F101 PolarHBondContact O-N 3.15Å; V99-F104 HydrophobicContact CG1-CE2 3.85Å; V99-F104 HydrophobicContact CG1-CZ 4.17Å
100	G	87.8	Confident	79.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	103.7	170.5	0	0	0	0	0	110	D88 S90 L92 G93 N102 S103	D88-G100 WeakPolarHBondContact OD1-CA 3.44Å; S90-G100 CarbonylContact O-C 3.38Å; S90-G100 WeakPolarHBondContact O-CA 3.26Å; S90-G100 WeakPolarHBondContact OG-CA 3.19Å; L92-G100 WeakPolarHBondContact O-CA 3.33Å; L92-G100 PolarHBondContact O-N 3.25Å; G93-G100 PolarHBondContact O-N 3.14Å; G100-N102 PolarHBondContact O-N 3.21Å; G100-N102 VanDerWaalsContact O-N 3.13Å; G100-S103 VanDerWaalsContact O-CB 3.26Å; G100-S103 WeakPolarHBondContact O-CB 3.37Å; G100-S103 PolarHBondContact O-N 3.35Å; G100-S103 PolarHBondContact O-OG 3.47Å
101	F	85.9	Confident	79.2	Confident	1 Å²	1	56.7 Å²	56.7	0%	0.004	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-57.5	-32	-178	-166.8	-89.5	0	0	0	111.9	L68 I75 D88 V99 S103 F104 R117 I120 L191	L68-F101 HydrophobicContact CB-CE2 4.21Å; L68-F101 HydrophobicContact CD1-CD2 3.93Å; L68-F101 HydrophobicContact CD1-CE2 4.27Å; L68-F101 HydrophobicContact CD2-CD2 4.14Å; L68-F101 HydrophobicContact CD2-CE2 4.19Å; L68-F101 HydrophobicContact CG-CD2 4.49Å; L68-F101 HydrophobicContact CG-CE2 4.47Å; I75-F101 HydrophobicContact CD1-CE1 4.09Å; I75-F101 HydrophobicContact CD1-CE2 4.02Å; I75-F101 HydrophobicContact CD1-CZ 3.48Å; I75-F101 VanDerWaalsContact CD1-CZ 3.48Å; D88-F101 WeakPolarHBondContact O-CB 3.31Å; D88-F101 PolarHBondContact O-N 3.15Å; V99-F101 PolarHBondContact O-N 3.15Å; F101-S103 VanDerWaalsContact C-N 3.27Å; F101-S103 PolarHBondContact O-N 2.98Å; F101-F104 WeakPolarHBondContact O-CD2 3.45Å; F101-R117 HydrophobicContact CD1-CG 4.1Å; F101-R117 HydrophobicContact CE1-CG 3.82Å; F101-R117 PolarHBondContact O-NH2 3.47Å; F101-I120 HydrophobicContact CB-CD1 3.95Å; F101-I120 HydrophobicContact CD1-CD1 3.39Å; F101-I120 HydrophobicContact CD2-CD1 4.4Å; F101-I120 HydrophobicContact CE1-CD1 3.96Å; F101-I120 HydrophobicContact CG-CD1 3.65Å; F101-L191 HydrophobicContact CD1-CD1 4.42Å; F101-L191 HydrophobicContact CE1-CD1 3.31Å; F101-L191 HydrophobicContact CE1-CG 4.2Å; F101-L191 HydrophobicContact CZ-CD1 3.42Å; F101-L191 VanDerWaalsContact CZ-CD1 3.42Å; F101-L191 HydrophobicContact CZ-CG 3.85Å
102	N	85.8	Confident	78.8	Confident	23 Å²	23	50.9 Å²	50.9	12%	0.123	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-78.7	-3.1	179.8	-72.5	-27.4	0	0	0	114.9	G89 S90 R91 G100 F104 R117	G89-N102 WeakPolarHBondContact O-CB 3.41Å; G89-N102 PolarHBondContact O-ND2 3.08Å; S90-N102 WeakPolarHBondContact O-CA 3.37Å; S90-N102 WeakPolarHBondContact O-CB 2.96Å; S90-N102 PolarHBondContact O-N 3.24Å; R91-N102 HydrophobicContact CG-CB 3.86Å; G100-N102 PolarHBondContact O-N 3.21Å; G100-N102 VanDerWaalsContact O-N 3.13Å; N102-F104 VanDerWaalsContact C-N 3.29Å; N102-F104 PolarHBondContact O-N 3.39Å; N102-R117 PolarHBondContact ND2-O 3.06Å; N102-R117 VanDerWaalsContact ND2-O 3.13Å; N102-R117 WeakPolarHBondContact OD1-CB 3.38Å; N102-R117 PolarHBondContact OD1-NE 3.5Å
103	S	85.5	Confident	78.9	Confident	33 Å²	33	44.6 Å²	44.6	23%	0.231	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-74	-17.3	174.1	69	0	0	0	0	114	R91 G93 G100 F101 P105	R91-S103 WeakPolarHBondContact O-CB 3.28Å; G93-S103 WeakPolarHBondContact CA-OG 3.4Å; G100-S103 VanDerWaalsContact O-CB 3.26Å; G100-S103 WeakPolarHBondContact O-CB 3.37Å; G100-S103 PolarHBondContact O-N 3.35Å; G100-S103 PolarHBondContact O-OG 3.47Å; F101-S103 VanDerWaalsContact C-N 3.27Å; F101-S103 PolarHBondContact O-N 2.98Å; S103-P105 VanDerWaalsContact O-CD 3.24Å; S103-P105 WeakPolarHBondContact O-CD 3.4Å
104	F	81.7	Confident	78.9	Confident	11 Å²	11	44.9 Å²	44.9	5%	0.048	28%	0.281	C	S	.	.			trans	-97	108.1	-176.6	-52.1	-73.9	0	0	0	112.2	I12 L68 I75 A76 V99 F101 N102 R109 R117	I12-F104 HydrophobicContact CD1-CE1 3.8Å; I12-F104 HydrophobicContact CD1-CZ 3.46Å; I12-F104 VanDerWaalsContact CD1-CZ 3.46Å; I12-F104 HydrophobicContact CG2-CE1 3.83Å; I12-F104 HydrophobicContact CG2-CZ 4.42Å; L68-F104 HydrophobicContact CD1-CD2 3.89Å; L68-F104 HydrophobicContact CD1-CE2 3.45Å; L68-F104 VanDerWaalsContact CD1-CE2 3.45Å; L68-F104 HydrophobicContact CD1-CZ 4.25Å; I75-F104 HydrophobicContact CG2-CB 3.17Å; I75-F104 HydrophobicContact CG2-CD1 4.42Å; I75-F104 HydrophobicContact CG2-CD2 4.25Å; I75-F104 HydrophobicContact CG2-CG 3.71Å; A76-F104 HydrophobicContact CB-CD1 3.99Å; A76-F104 HydrophobicContact CB-CD2 4.5Å; A76-F104 HydrophobicContact CB-CE1 3.77Å; A76-F104 HydrophobicContact CB-CE2 4.3Å; A76-F104 HydrophobicContact CB-CG 4.38Å; A76-F104 HydrophobicContact CB-CZ 3.95Å; V99-F104 HydrophobicContact CG1-CE2 3.85Å; V99-F104 HydrophobicContact CG1-CZ 4.17Å; F101-F104 WeakPolarHBondContact O-CD2 3.45Å; N102-F104 VanDerWaalsContact C-N 3.29Å; N102-F104 PolarHBondContact O-N 3.39Å; F104-R109 PolarHBondContact O-NH2 3.28Å; F104-R117 PolarHBondContact O-NH2 3.04Å
105	P	71.7	Confident	79	Confident	95 Å²	95	47.5 Å²	47.5	62%	0.617	29%	0.294	S	S	*	.			trans	-75	150.9	174.9	31.8	-34.3	0	0	0	111.1	S103	S103-P105 VanDerWaalsContact O-CD 3.24Å; S103-P105 WeakPolarHBondContact O-CD 3.4Å
106	L	69.6	Low	79	Confident	39 Å²	39	42.9 Å²	42.9	20%	0.204	27%	0.269	C	S	.	.			trans	-128	138.8	166.7	-72.9	175.4	0	0	0	108.6	E70 I75 A108	E70-L106 HydrophobicContact CB-CD1 3.96Å; E70-L106 HydrophobicContact CG-CD1 4.09Å; E70-L106 WeakPolarHBondContact OE1-CD1 3.23Å; E70-L106 WeakPolarHBondContact OE2-CD1 3.25Å; I75-L106 HydrophobicContact CG1-CD1 4.42Å; L106-A108 PolarHBondContact O-N 3.27Å
107	P	59.8	Low	79.3	Confident	133 Å²	133	42.2 Å²	42.2	86%	0.864	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	1.8	-169.6	23.6	-31.5	0	0	0	116.4
108	A	65.7	Low	79.2	Confident	79 Å²	79	46.3 Å²	46.3	65%	0.653	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-163.8	77.5	173.4	0	0	0	0	0	109.6	L106	L106-A108 PolarHBondContact O-N 3.27Å
109	R	73.1	Confident	79	Confident	71 Å²	71	51.8 Å²	51.8	27%	0.268	30%	0.295	S	S	.	.			trans	-88.3	130.5	-179.9	-174.4	174.5	-69.6	135	5.6	110.1	E70 F104 T113 S114 R117	E70-R109 WeakPolarHBondContact OE1-CD 3.17Å; E70-R109 WeakPolarHBondContact OE1-CG 3.4Å; E70-R109 IonicContact OE1-CZ 2.62Å; E70-R109 IonicContact OE1-NE 3.02Å; E70-R109 PolarHBondContact OE1-NE 2.58Å; E70-R109 IonicContact OE1-NH2 2.74Å; E70-R109 IonicContact OE2-CZ 2.64Å; E70-R109 IonicContact OE2-NE 3.02Å; E70-R109 PolarHBondContact OE2-NE 3.13Å; E70-R109 IonicContact OE2-NH2 3.55Å; E70-R109 PolarHBondContact OE2-NH2 2.9Å; F104-R109 PolarHBondContact O-NH2 3.28Å; R109-T113 HydrophobicContact CG-CG2 4.27Å; R109-S114 VanDerWaalsContact CD-OG 3.26Å; R109-S114 WeakPolarHBondContact CD-OG 3.3Å; R109-S114 WeakPolarHBondContact CG-OG 3.31Å; R109-R117 VanDerWaalsContact CZ-CD 3.5Å; R109-R117 VanDerWaalsContact CZ-NE 3.33Å
110	D	78.3	Confident	78.9	Confident	59 Å²	59	51.9 Å²	51.9	32%	0.316	30%	0.296	S	S	.	.			trans	-70.3	155.8	172.4	59	79.9	0	0	0	112.2	K71 H112 T113 S114	K71-D110 WeakPolarHBondContact CE-OD2 3.41Å; K71-D110 VanDerWaalsContact NZ-CG 3.32Å; K71-D110 IonicContact NZ-OD1 3.84Å; K71-D110 IonicContact NZ-OD2 3.33Å; K71-D110 PolarHBondContact NZ-OD2 3.41Å; D110-H112 VanDerWaalsContact C-N 3.29Å; D110-H112 PolarHBondContact O-N 3.12Å; D110-H112 PolarHBondContact OD1-N 2.89Å; D110-T113 PolarHBondContact O-N 3.36Å; D110-T113 VanDerWaalsContact OD1-CB 3.26Å; D110-T113 WeakPolarHBondContact OD1-CB 3.42Å; D110-T113 PolarHBondContact OD1-N 2.9Å; D110-T113 PolarHBondContact OD1-OG1 2.79Å; D110-T113 PolarHBondContact OD2-OG1 2.86Å; D110-S114 PolarHBondContact O-N 2.77Å; D110-S114 VanDerWaalsContact O-N 3.15Å; D110-S114 PolarHBondContact O-OG 3.49Å
111	G	80.8	Confident	78.6	Confident	53 Å²	53	55.6 Å²	55.6	55%	0.546	32%	0.321	S	S	.	.	H	α-helix	trans	-57.9	-41.2	-178.8	0	0	0	0	0	112.6	T113 S114 E115	G111-T113 PolarHBondContact O-N 3.45Å; G111-S114 WeakPolarHBondContact O-CB 3.45Å; G111-S114 PolarHBondContact O-N 2.85Å; G111-S114 VanDerWaalsContact O-N 3.16Å; G111-E115 PolarHBondContact O-N 3.48Å
112	H	78.8	Confident	78.6	Confident	77 Å²	77	58.4 Å²	58.4	36%	0.356	34%	0.341	S	S	.	.	H	α-helix	trans	-61.7	-43.1	-179.3	-174.6	-95.2	0	0	0	112.5	D110 S114 E115 I116 A193	D110-H112 VanDerWaalsContact C-N 3.29Å; D110-H112 PolarHBondContact O-N 3.12Å; D110-H112 PolarHBondContact OD1-N 2.89Å; H112-S114 VanDerWaalsContact C-N 3.31Å; H112-S114 PolarHBondContact O-N 3.22Å; H112-E115 WeakPolarHBondContact O-CB 3.38Å; H112-E115 PolarHBondContact O-N 3.45Å; H112-I116 WeakPolarHBondContact CE1-CD1 3.18Å; H112-I116 PolarHBondContact O-N 2.85Å; H112-A193 WeakPolarHBondContact CE1-CB 3.23Å; H112-A193 WeakPolarHBondContact ND1-CB 3.37Å
113	T	79	Confident	78.6	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	34%	0.336	C	S	.	.	H	α-helix	trans	-68.8	-35.4	178.3	-54.7	0	0	0	0	111.3	E70 K71 R109 D110 G111 E115 I116 R117 L191	E70-T113 HydrophobicContact CG-CG2 3.34Å; E70-T113 WeakPolarHBondContact OE1-CG2 3.26Å; K71-T113 WeakPolarHBondContact CE-OG1 3.26Å; R109-T113 HydrophobicContact CG-CG2 4.27Å; D110-T113 PolarHBondContact O-N 3.36Å; D110-T113 VanDerWaalsContact OD1-CB 3.26Å; D110-T113 WeakPolarHBondContact OD1-CB 3.42Å; D110-T113 PolarHBondContact OD1-N 2.9Å; D110-T113 PolarHBondContact OD1-OG1 2.79Å; D110-T113 PolarHBondContact OD2-OG1 2.86Å; G111-T113 PolarHBondContact O-N 3.45Å; T113-E115 VanDerWaalsContact C-N 3.31Å; T113-E115 PolarHBondContact O-N 3.34Å; T113-I116 PolarHBondContact O-N 2.72Å; T113-R117 HydrophobicContact CG2-CG 4.49Å; T113-R117 WeakPolarHBondContact O-CB 3.23Å; T113-R117 WeakPolarHBondContact O-CG 3.44Å; T113-R117 PolarHBondContact O-N 2.89Å; T113-L191 HydrophobicContact CG2-CD1 4.33Å
114	S	80.6	Confident	78.9	Confident	40 Å²	40	56 Å²	56	28%	0.28	33%	0.326	S	S	.	.	H	α-helix	trans	-61.5	-39.9	171.9	-57.5	0	0	0	0	111.7	R109 D110 G111 H112 R117 N118	R109-S114 VanDerWaalsContact CD-OG 3.26Å; R109-S114 WeakPolarHBondContact CD-OG 3.3Å; R109-S114 WeakPolarHBondContact CG-OG 3.31Å; D110-S114 PolarHBondContact O-N 2.77Å; D110-S114 VanDerWaalsContact O-N 3.15Å; D110-S114 PolarHBondContact O-OG 3.49Å; G111-S114 WeakPolarHBondContact O-CB 3.45Å; G111-S114 PolarHBondContact O-N 2.85Å; G111-S114 VanDerWaalsContact O-N 3.16Å; H112-S114 VanDerWaalsContact C-N 3.31Å; H112-S114 PolarHBondContact O-N 3.22Å; S114-R117 PolarHBondContact O-N 2.88Å; S114-N118 PolarHBondContact O-N 2.98Å; S114-N118 VanDerWaalsContact O-N 3.08Å; S114-N118 PolarHBondContact O-ND2 2.68Å
115	E	82.4	Confident	79.3	Confident	98 Å²	98	56.5 Å²	56.5	46%	0.458	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-47.1	174.2	-70.1	-179.5	-151.1	0	0	112.6	G111 H112 T113 R117 N118 R119	G111-E115 PolarHBondContact O-N 3.48Å; H112-E115 WeakPolarHBondContact O-CB 3.38Å; H112-E115 PolarHBondContact O-N 3.45Å; T113-E115 VanDerWaalsContact C-N 3.31Å; T113-E115 PolarHBondContact O-N 3.34Å; E115-R117 VanDerWaalsContact C-N 3.3Å; E115-R117 PolarHBondContact O-N 3.41Å; E115-N118 PolarHBondContact O-N 2.84Å; E115-R119 WeakPolarHBondContact O-CG 3.29Å; E115-R119 PolarHBondContact O-N 2.95Å; E115-R119 VanDerWaalsContact O-N 3.12Å; E115-R119 IonicContact OE2-NH2 3.85Å; E115-R119 PolarHBondContact OE2-NH2 3.07Å
116	I	80.5	Confident	80.2	Confident	18 Å²	18	52.3 Å²	52.3	9%	0.092	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-42.7	179.4	-63.4	165.9	0	0	0	110.6	H112 T113 N118 R119 I120 L191 A193	H112-I116 WeakPolarHBondContact CE1-CD1 3.18Å; H112-I116 PolarHBondContact O-N 2.85Å; T113-I116 PolarHBondContact O-N 2.72Å; I116-N118 VanDerWaalsContact C-N 3.27Å; I116-N118 PolarHBondContact O-N 2.93Å; I116-R119 WeakPolarHBondContact O-CA 3.44Å; I116-R119 WeakPolarHBondContact O-CB 3.18Å; I116-R119 PolarHBondContact O-N 2.67Å; I116-I120 PolarHBondContact O-N 3Å; I116-L191 HydrophobicContact CG2-CD2 3.64Å; I116-A193 HydrophobicContact CD1-CB 4.16Å
117	R	80.9	Confident	81.1	Confident	3 Å²	3	55.8 Å²	55.8	1%	0.011	32%	0.318	C	S	.	.	H	α-helix	trans	-58.4	-38.7	176.5	-79.3	-178.3	76.5	108.2	-5.4	113	E70 F101 N102 F104 R109 T113 S114 E115 R119 I120 L191	E70-R117 IonicContact OE2-CZ 2.96Å; E70-R117 IonicContact OE2-NH1 3.99Å; E70-R117 PolarHBondContact OE2-NH1 3.39Å; F101-R117 HydrophobicContact CD1-CG 4.1Å; F101-R117 HydrophobicContact CE1-CG 3.82Å; F101-R117 PolarHBondContact O-NH2 3.47Å; N102-R117 PolarHBondContact ND2-O 3.06Å; N102-R117 VanDerWaalsContact ND2-O 3.13Å; N102-R117 WeakPolarHBondContact OD1-CB 3.38Å; N102-R117 PolarHBondContact OD1-NE 3.5Å; F104-R117 PolarHBondContact O-NH2 3.04Å; R109-R117 VanDerWaalsContact CZ-CD 3.5Å; R109-R117 VanDerWaalsContact CZ-NE 3.33Å; T113-R117 HydrophobicContact CG2-CG 4.49Å; T113-R117 WeakPolarHBondContact O-CB 3.23Å; T113-R117 WeakPolarHBondContact O-CG 3.44Å; T113-R117 PolarHBondContact O-N 2.89Å; S114-R117 PolarHBondContact O-N 2.88Å; E115-R117 VanDerWaalsContact C-N 3.3Å; E115-R117 PolarHBondContact O-N 3.41Å; R117-R119 VanDerWaalsContact C-N 3.27Å; R117-R119 PolarHBondContact O-N 3.03Å; R117-I120 PolarHBondContact O-N 3.3Å; R117-L191 HydrophobicContact CG-CD1 3.82Å
118	N	81.9	Confident	82.4	Confident	108 Å²	108	51.2 Å²	51.2	58%	0.578	29%	0.286	S	S	*	.	H	α-helix	trans	-69.4	-27.3	175.2	-69.3	-23.3	0	0	0	112.2	S114 E115 I116	S114-N118 PolarHBondContact O-N 2.98Å; S114-N118 VanDerWaalsContact O-N 3.08Å; S114-N118 PolarHBondContact O-ND2 2.68Å; E115-N118 PolarHBondContact O-N 2.84Å; I116-N118 VanDerWaalsContact C-N 3.27Å; I116-N118 PolarHBondContact O-N 2.93Å
119	R	84.1	Confident	83.4	Confident	145 Å²	145	49.1 Å²	49.1	55%	0.547	26%	0.264	S	S	.	.	H	α-helix	trans	-78.1	-17	176.9	-65.7	177.1	-163	-173.2	9.3	113.3	E115 I116 R117 C121 S142	E115-R119 WeakPolarHBondContact O-CG 3.29Å; E115-R119 PolarHBondContact O-N 2.95Å; E115-R119 VanDerWaalsContact O-N 3.12Å; E115-R119 IonicContact OE2-NH2 3.85Å; E115-R119 PolarHBondContact OE2-NH2 3.07Å; I116-R119 WeakPolarHBondContact O-CA 3.44Å; I116-R119 WeakPolarHBondContact O-CB 3.18Å; I116-R119 PolarHBondContact O-N 2.67Å; R117-R119 VanDerWaalsContact C-N 3.27Å; R117-R119 PolarHBondContact O-N 3.03Å; R119-C121 PolarHBondContact O-N 3.29Å; R119-C121 VanDerWaalsContact O-N 3.14Å; R119-C121 PolarHBondContact O-SG 2.92Å; R119-C121 VanDerWaalsContact O-SG 3.4Å; R119-S142 VanDerWaalsContact O-CB 3.31Å; R119-S142 WeakPolarHBondContact O-CB 3.31Å; R119-S142 PolarHBondContact O-OG 3.31Å
120	I	82.7	Confident	83.9	Confident	3 Å²	3	58 Å²	58	2%	0.015	30%	0.297	C	S	.	.			trans	-55.5	-38.6	-177.3	-60.4	177.4	0	0	0	111.5	L37 F101 I116 R117 S122 G123	L37-I120 HydrophobicContact CD1-CG1 4.3Å; L37-I120 HydrophobicContact CD1-CG2 4.24Å; L37-I120 HydrophobicContact CD2-CD1 4.14Å; L37-I120 HydrophobicContact CD2-CG1 4.17Å; F101-I120 HydrophobicContact CB-CD1 3.95Å; F101-I120 HydrophobicContact CD1-CD1 3.39Å; F101-I120 HydrophobicContact CD2-CD1 4.4Å; F101-I120 HydrophobicContact CE1-CD1 3.96Å; F101-I120 HydrophobicContact CG-CD1 3.65Å; I116-I120 PolarHBondContact O-N 3Å; R117-I120 PolarHBondContact O-N 3.3Å; I120-S122 PolarHBondContact O-N 2.74Å; I120-S122 VanDerWaalsContact O-N 3.12Å; I120-G123 WeakPolarHBondContact O-CA 3.3Å; I120-G123 PolarHBondContact O-N 3Å
121	C	82.7	Confident	84.2	Confident	78 Å²	78	61.5 Å²	61.5	53%	0.527	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	-114.5	178.8	-58.6	0	0	0	0	111.7	G89 R119 G123	G89-C121 PolarHBondContact N-O 2.88Å; R119-C121 PolarHBondContact O-N 3.29Å; R119-C121 VanDerWaalsContact O-N 3.14Å; R119-C121 PolarHBondContact O-SG 2.92Å; R119-C121 VanDerWaalsContact O-SG 3.4Å; C121-G123 VanDerWaalsContact C-N 3.3Å; C121-G123 PolarHBondContact O-N 3.1Å
122	S	85.6	Confident	84.1	Confident	59 Å²	59	60.4 Å²	60.4	41%	0.413	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-8.3	-179.9	-43.5	0	0	0	0	114.7	I120 V124	I120-S122 PolarHBondContact O-N 2.74Å; I120-S122 VanDerWaalsContact O-N 3.12Å; S122-V124 PolarHBondContact O-N 3.13Å
123	G	86.4	Confident	84.4	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.031	29%	0.287	C	S	.	.			trans	54.1	-129.9	175.2	0	0	0	0	0	115.2	V87 I120 C121 R139 G140	V87-G123 CarbonylContact O-C 3.6Å; V87-G123 VanDerWaalsContact O-CA 3.3Å; V87-G123 WeakPolarHBondContact O-CA 3.35Å; I120-G123 WeakPolarHBondContact O-CA 3.3Å; I120-G123 PolarHBondContact O-N 3Å; C121-G123 VanDerWaalsContact C-N 3.3Å; C121-G123 PolarHBondContact O-N 3.1Å; G123-R139 PolarHBondContact O-N 3.35Å; G123-G140 PolarHBondContact O-N 2.93Å
124	V	90.3	Very high	84.7	Confident	4 Å²	4	58 Å²	58	2%	0.024	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.9	-172	60.3	0	0	0	0	111	V87 S122 A136 K137 V144 Y189	V87-V124 HydrophobicContact CB-CG1 4.3Å; V87-V124 PolarHBondContact N-O 3.15Å; V87-V124 PolarHBondContact O-N 2.8Å; S122-V124 PolarHBondContact O-N 3.13Å; V124-A136 HydrophobicContact CG2-CB 4.38Å; V124-K137 CarbonylContact C-O 3.54Å; V124-K137 WeakPolarHBondContact CA-O 3.33Å; V124-K137 WeakPolarHBondContact CG2-O 3.34Å; V124-V144 HydrophobicContact CB-CG1 4.32Å; V124-V144 HydrophobicContact CB-CG2 4.28Å; V124-V144 HydrophobicContact CG2-CG1 4.25Å; V124-Y189 HydrophobicContact CG1-CE1 3.56Å; V124-Y189 WeakPolarHBondContact CG1-OH 3.44Å
125	A	90.4	Very high	85.1	Confident	21 Å²	21	57.6 Å²	57.6	17%	0.174	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.4	168.1	0	0	0	0	0	109.9	L85 Q86 A136 K137 R139	L85-A125 CarbonylContact O-C 3.54Å; L85-A125 WeakPolarHBondContact O-CA 3.13Å; Q86-A125 HydrophobicContact CG-CB 4.24Å; A125-A136 CarbonylContact O-C 3.58Å; A125-A136 VanDerWaalsContact O-CA 3.28Å; A125-A136 WeakPolarHBondContact O-CA 3.43Å; A125-K137 HydrophobicContact CB-CB 4.47Å; A125-K137 PolarHBondContact N-O 3.19Å; A125-K137 PolarHBondContact O-N 3.37Å; A125-R139 HydrophobicContact CB-CG 4.42Å
126	I	90	Very high	85.4	Confident	7 Å²	7	53.4 Å²	53.4	4%	0.036	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.7	175.6	-60.4	176	0	0	0	107.6	W63 S84 L85 I134 L135 T187 Y189	W63-I126 HydrophobicContact CH2-CG2 4.12Å; S84-I126 CarbonylContact C-O 3.55Å; S84-I126 WeakPolarHBondContact CA-O 3.26Å; L85-I126 PolarHBondContact N-O 3.26Å; L85-I126 PolarHBondContact O-N 2.78Å; L85-I126 VanDerWaalsContact O-O 3.07Å; I126-I134 HydrophobicContact CG2-CG2 3.88Å; I126-L135 CarbonylContact C-O 3.45Å; I126-L135 VanDerWaalsContact CA-O 3.31Å; I126-L135 WeakPolarHBondContact CA-O 3.31Å; I126-T187 HydrophobicContact CD1-CG2 3.56Å; I126-Y189 HydrophobicContact CD1-CE2 4.29Å; I126-Y189 WeakPolarHBondContact CD1-OH 3.38Å
127	K	88.5	Confident	85.9	Confident	112 Å²	112	55.5 Å²	55.5	49%	0.487	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	139.2	-180	-179	179.5	179.6	178.7	0	110	P83 L135	P83-K127 CarbonylContact O-C 3.54Å; P83-K127 VanDerWaalsContact O-CA 3.26Å; P83-K127 WeakPolarHBondContact O-CA 3.37Å; P83-K127 VanDerWaalsContact O-CG 3.31Å; P83-K127 WeakPolarHBondContact O-CG 3.41Å; K127-L135 HydrophobicContact CB-CB 4.44Å; K127-L135 PolarHBondContact N-O 3.44Å; K127-L135 PolarHBondContact O-N 3.01Å
128	I	87.5	Confident	86.2	Confident	37 Å²	37	57.2 Å²	57.2	19%	0.19	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.6	164.8	-167.5	168.8	0	0	0	109.1	W63 P83 N133	W63-I128 HydrophobicContact CB-CD1 3.87Å; W63-I128 HydrophobicContact CD2-CB 4.12Å; W63-I128 HydrophobicContact CD2-CD1 4.18Å; W63-I128 HydrophobicContact CD2-CG2 3.8Å; W63-I128 HydrophobicContact CE3-CB 4.06Å; W63-I128 HydrophobicContact CE3-CD1 4.06Å; W63-I128 HydrophobicContact CE3-CG2 4.26Å; W63-I128 HydrophobicContact CG-CD1 4.14Å; W63-I128 HydrophobicContact CG-CG2 4Å; W63-I128 HydrophobicContact CZ2-CG2 4.32Å; W63-I128 HydrophobicContact CZ3-CB 4.31Å; P83-I128 HydrophobicContact CB-CG2 4.19Å; P83-I128 PolarHBondContact O-N 2.91Å; I128-N133 WeakPolarHBondContact CA-O 3.08Å
129	D	86.7	Confident	86.5	Confident	35 Å²	35	56.3 Å²	56.3	19%	0.187	27%	0.27	C	S	.	.			trans	-87.1	171	174.2	77.2	10.5	0	0	0	112	H131 G132 N133 L135	D129-H131 PolarHBondContact O-N 2.85Å; D129-H131 VanDerWaalsContact O-N 3.12Å; D129-H131 VanDerWaalsContact OD1-C 3.23Å; D129-H131 VanDerWaalsContact OD1-CA 3.28Å; D129-H131 WeakPolarHBondContact OD1-CA 3.48Å; D129-H131 WeakPolarHBondContact OD1-CB 3.37Å; D129-H131 PolarHBondContact OD1-N 2.86Å; D129-H131 IonicContact OD2-ND1 2.72Å; D129-G132 PolarHBondContact O-N 2.95Å; D129-G132 PolarHBondContact OD1-N 2.75Å; D129-N133 PolarHBondContact N-O 2.76Å; D129-N133 WeakPolarHBondContact OD1-CB 3.28Å; D129-N133 PolarHBondContact OD1-N 2.81Å; D129-N133 PolarHBondContact OD1-ND2 2.8Å; D129-N133 WeakPolarHBondContact OD2-CB 3.47Å; D129-N133 PolarHBondContact OD2-ND2 2.74Å; D129-L135 HydrophobicContact CB-CD1 4.31Å
130	R	84.9	Confident	86.3	Confident	257 Å²	257	49.6 Å²	49.6	97%	0.97	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-18	178.9	-66.5	-176.7	179.6	172.9	-0.3	113.4	G132	R130-G132 VanDerWaalsContact C-N 3.34Å
131	H	83	Confident	86.2	Confident	132 Å²	132	60.6 Å²	60.6	61%	0.611	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	6	177.4	-51	107.9	0	0	0	111.9	D129 N133 K179	D129-H131 PolarHBondContact O-N 2.85Å; D129-H131 VanDerWaalsContact O-N 3.12Å; D129-H131 VanDerWaalsContact OD1-C 3.23Å; D129-H131 VanDerWaalsContact OD1-CA 3.28Å; D129-H131 WeakPolarHBondContact OD1-CA 3.48Å; D129-H131 WeakPolarHBondContact OD1-CB 3.37Å; D129-H131 PolarHBondContact OD1-N 2.86Å; D129-H131 IonicContact OD2-ND1 2.72Å; H131-N133 VanDerWaalsContact C-N 3.31Å; H131-N133 WeakPolarHBondContact CB-ND2 3.49Å; H131-N133 PolarHBondContact O-N 3.48Å; H131-K179 VanDerWaalsContact O-CB 3.29Å; H131-K179 WeakPolarHBondContact O-CB 3.36Å; H131-K179 WeakPolarHBondContact O-CD 3.46Å
132	G	79	Confident	86.2	Confident	31 Å²	31	58 Å²	58	32%	0.32	27%	0.27	S	S	.	.	S	Bend	trans	76	13.2	-179.3	0	0	0	0	0	114.7	D129 R130	D129-G132 PolarHBondContact O-N 2.95Å; D129-G132 PolarHBondContact OD1-N 2.75Å; R130-G132 VanDerWaalsContact C-N 3.34Å
133	N	84.4	Confident	86	Confident	12 Å²	12	57.6 Å²	57.6	6%	0.064	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-80.4	141.5	173.2	-50.2	-70.2	0	0	0	110.4	I128 D129 H131 K175 V177 P178 K179	I128-N133 WeakPolarHBondContact CA-O 3.08Å; D129-N133 PolarHBondContact N-O 2.76Å; D129-N133 WeakPolarHBondContact OD1-CB 3.28Å; D129-N133 PolarHBondContact OD1-N 2.81Å; D129-N133 PolarHBondContact OD1-ND2 2.8Å; D129-N133 WeakPolarHBondContact OD2-CB 3.47Å; D129-N133 PolarHBondContact OD2-ND2 2.74Å; H131-N133 VanDerWaalsContact C-N 3.31Å; H131-N133 WeakPolarHBondContact CB-ND2 3.49Å; H131-N133 PolarHBondContact O-N 3.48Å; N133-K175 HydrophobicContact CB-CD 3.68Å; N133-K175 HydrophobicContact CB-CG 3.88Å; N133-K175 VanDerWaalsContact CG-NZ 3.28Å; N133-K175 WeakPolarHBondContact ND2-CE 3.4Å; N133-K175 PolarHBondContact ND2-NZ 3.3Å; N133-V177 WeakPolarHBondContact CA-O 3.43Å; N133-P178 VanDerWaalsContact OD1-CA 3.31Å; N133-P178 WeakPolarHBondContact OD1-CA 3.35Å; N133-K179 PolarHBondContact OD1-N 3.39Å
134	I	86.6	Confident	85.9	Confident	14 Å²	14	57.6 Å²	57.6	7%	0.072	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	117.2	173.8	-55.9	176.1	0	0	0	108.5	I126 V176 V177	I126-I134 HydrophobicContact CG2-CG2 3.88Å; I134-V176 PolarHBondContact O-N 2.82Å; I134-V177 HydrophobicContact CB-CB 4.09Å; I134-V177 HydrophobicContact CB-CG2 4.46Å; I134-V177 HydrophobicContact CD1-CB 4.23Å; I134-V177 HydrophobicContact CD1-CG2 4.29Å; I134-V177 HydrophobicContact CG1-CB 4.31Å; I134-V177 PolarHBondContact N-O 3.45Å; I134-V177 PolarHBondContact O-N 3.06Å
135	L	88	Confident	85.5	Confident	33 Å²	33	58.2 Å²	58.2	17%	0.173	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.1	176.2	-51.2	179.1	0	0	0	109.4	I126 K127 D129 V173 V174 K175	I126-L135 CarbonylContact C-O 3.45Å; I126-L135 VanDerWaalsContact CA-O 3.31Å; I126-L135 WeakPolarHBondContact CA-O 3.31Å; K127-L135 HydrophobicContact CB-CB 4.44Å; K127-L135 PolarHBondContact N-O 3.44Å; K127-L135 PolarHBondContact O-N 3.01Å; D129-L135 HydrophobicContact CB-CD1 4.31Å; L135-V173 HydrophobicContact CB-CG1 4.04Å; L135-V173 HydrophobicContact CD1-CG1 4.22Å; L135-V174 CarbonylContact C-O 3.55Å; L135-V174 WeakPolarHBondContact CA-O 3.28Å; L135-K175 HydrophobicContact CD2-CB 3.81Å; L135-K175 HydrophobicContact CD2-CG 3.91Å
136	A	90.3	Very high	85.1	Confident	9 Å²	9	57.3 Å²	57.3	7%	0.074	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.9	169.1	0	0	0	0	0	110.8	V124 A125 L168 V174 V176	V124-A136 HydrophobicContact CG2-CB 4.38Å; A125-A136 CarbonylContact O-C 3.58Å; A125-A136 VanDerWaalsContact O-CA 3.28Å; A125-A136 WeakPolarHBondContact O-CA 3.43Å; A136-L168 HydrophobicContact CB-CD1 3.85Å; A136-V174 PolarHBondContact N-O 3.42Å; A136-V174 PolarHBondContact O-N 2.89Å; A136-V176 HydrophobicContact CB-CG2 3.39Å
137	K	89.2	Confident	84.2	Confident	63 Å²	63	58.1 Å²	58.1	27%	0.274	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	114.8	177.3	-176.3	-176.1	180	174.9	0	109.3	V124 A125 R139 Q171 V173	V124-K137 CarbonylContact C-O 3.54Å; V124-K137 WeakPolarHBondContact CA-O 3.33Å; V124-K137 WeakPolarHBondContact CG2-O 3.34Å; A125-K137 HydrophobicContact CB-CB 4.47Å; A125-K137 PolarHBondContact N-O 3.19Å; A125-K137 PolarHBondContact O-N 3.37Å; K137-R139 PolarHBondContact O-N 3.31Å; K137-Q171 WeakPolarHBondContact CE-O 3.13Å; K137-V173 HydrophobicContact CB-CG2 4.09Å; K137-V173 HydrophobicContact CD-CG2 3.81Å; K137-V173 HydrophobicContact CG-CG2 4.05Å
138	R	89	Confident	83.1	Confident	39 Å²	39	54.7 Å²	54.7	15%	0.147	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	123.3	169.4	173.5	-179.5	174.4	-167.6	-2.3	108.9	G140 R141 S142 V144 L168 Q171	R138-G140 WeakPolarHBondContact CG-O 3.44Å; R138-G140 PolarHBondContact NE-O 3.28Å; R138-G140 VanDerWaalsContact NE-O 3.17Å; R138-R141 PolarHBondContact NH2-O 3.22Å; R138-S142 PolarHBondContact NE-O 3.16Å; R138-V144 HydrophobicContact CB-CB 4.42Å; R138-V144 HydrophobicContact CB-CG2 4.25Å; R138-V144 HydrophobicContact CG-CB 4.4Å; R138-V144 HydrophobicContact CG-CG2 3.92Å; R138-L168 HydrophobicContact CB-CB 4Å; R138-L168 WeakPolarHBondContact CD-O 3.5Å; R138-L168 PolarHBondContact NH1-O 2.62Å; R138-Q171 WeakPolarHBondContact O-CA 3.43Å; R138-Q171 PolarHBondContact O-N 2.88Å
139	R	86.6	Confident	81.8	Confident	89 Å²	89	53.8 Å²	53.8	34%	0.336	26%	0.258	S	S	.	.			trans	-100.4	-34.3	-179.3	-65.1	-174.8	70.1	-166.3	5.4	112.5	Q86 G123 A125 K137 Q171	Q86-R139 VanDerWaalsContact CD-NH1 3.26Å; G123-R139 PolarHBondContact O-N 3.35Å; A125-R139 HydrophobicContact CB-CG 4.42Å; K137-R139 PolarHBondContact O-N 3.31Å; R139-Q171 PolarHBondContact O-NE2 3.08Å
140	G	81.1	Confident	80.6	Confident	4 Å²	4	59.3 Å²	59.3	4%	0.041	28%	0.28	C	S	.	.	S	Bend	trans	-92.9	169.8	-176.5	0	0	0	0	0	114.6	G123 R138 S142	G123-G140 PolarHBondContact O-N 2.93Å; R138-G140 WeakPolarHBondContact CG-O 3.44Å; R138-G140 PolarHBondContact NE-O 3.28Å; R138-G140 VanDerWaalsContact NE-O 3.17Å; G140-S142 PolarHBondContact O-N 3.48Å
141	R	79.7	Confident	79.6	Confident	234 Å²	234	50 Å²	50	88%	0.883	25%	0.254	S	S	*	.	S	Bend	trans	-68.7	-19.2	170.5	-67.3	-176.4	-178.7	173.5	0.5	112.7	R138	R138-R141 PolarHBondContact NH2-O 3.22Å
142	S	82.2	Confident	78.4	Confident	24 Å²	24	48 Å²	48	17%	0.168	25%	0.253	C	S	.	.	S	Bend	trans	-72.4	136	178.7	-69.4	0	0	0	0	111.9	R119 R138 G140	R119-S142 VanDerWaalsContact O-CB 3.31Å; R119-S142 WeakPolarHBondContact O-CB 3.31Å; R119-S142 PolarHBondContact O-OG 3.31Å; R138-S142 PolarHBondContact NE-O 3.16Å; G140-S142 PolarHBondContact O-N 3.48Å
143	P	81.9	Confident	77.4	Confident	50 Å²	50	55.6 Å²	55.6	33%	0.325	28%	0.28	S	S	.	.			trans	-64.8	136.9	-179	29.5	-36.6	0	0	0	110.6	S35 L37	S35-P143 WeakPolarHBondContact O-CG 3.36Å; L37-P143 PolarHBondContact N-O 3.32Å
144	V	84.2	Confident	76.2	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.4	174.8	-179.4	0	0	0	0	107	L37 V124 R138 L168	L37-V144 HydrophobicContact CD1-CG2 4.2Å; V124-V144 HydrophobicContact CB-CG1 4.32Å; V124-V144 HydrophobicContact CB-CG2 4.28Å; V124-V144 HydrophobicContact CG2-CG1 4.25Å; R138-V144 HydrophobicContact CB-CB 4.42Å; R138-V144 HydrophobicContact CB-CG2 4.25Å; R138-V144 HydrophobicContact CG-CB 4.4Å; R138-V144 HydrophobicContact CG-CG2 3.92Å; V144-L168 HydrophobicContact CB-CB 4.44Å; V144-L168 HydrophobicContact CB-CD1 4.3Å; V144-L168 HydrophobicContact CG1-CD1 3.83Å; V144-L168 HydrophobicContact CG1-CG 4.45Å; V144-L168 PolarHBondContact O-N 3.39Å
145	I	82.1	Confident	75.3	Confident	17 Å²	17	62.9 Å²	62.9	9%	0.087	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.6	-177	-54.4	-166.9	0	0	0	110.7	I36 L37 Y38 T39 G166 R167	I36-I145 HydrophobicContact CB-CD1 4.09Å; I36-I145 HydrophobicContact CB-CG1 4.33Å; I36-I145 HydrophobicContact CD1-CD1 3.35Å; I36-I145 HydrophobicContact CD1-CG1 4.45Å; I36-I145 HydrophobicContact CG1-CD1 3.38Å; I36-I145 HydrophobicContact CG1-CG1 4.05Å; I36-I145 HydrophobicContact CG2-CB 3.37Å; I36-I145 HydrophobicContact CG2-CD1 3.55Å; I36-I145 HydrophobicContact CG2-CG1 3.42Å; I36-I145 VanDerWaalsContact CG2-CG1 3.42Å; I36-I145 HydrophobicContact CG2-CG2 4.32Å; L37-I145 PolarHBondContact O-N 3.48Å; Y38-I145 CarbonylContact C-O 3.6Å; Y38-I145 WeakPolarHBondContact CA-O 3.18Å; T39-I145 PolarHBondContact N-O 2.64Å; T39-I145 VanDerWaalsContact N-O 3.14Å; I145-G166 CarbonylContact C-O 3.55Å; I145-G166 VanDerWaalsContact CA-O 3.31Å; I145-G166 WeakPolarHBondContact CA-O 3.23Å; I145-R167 HydrophobicContact CD1-CG 3.61Å; I145-R167 HydrophobicContact CG1-CG 3.86Å
146	V	81.5	Confident	74.3	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.5	171	-176	0	0	0	0	110.1	T39 F41 S149 F157 V161 G166 L168 V176	T39-V146 VanDerWaalsContact OG1-CA 3.28Å; T39-V146 WeakPolarHBondContact OG1-CA 3.24Å; F41-V146 HydrophobicContact CD2-CG1 3.88Å; F41-V146 HydrophobicContact CE2-CG1 3.75Å; V146-S149 PolarHBondContact O-OG 3.38Å; V146-F157 HydrophobicContact CG1-CD1 4.02Å; V146-F157 HydrophobicContact CG1-CD2 4.5Å; V146-F157 HydrophobicContact CG1-CE1 3.43Å; V146-F157 VanDerWaalsContact CG1-CE1 3.43Å; V146-F157 HydrophobicContact CG1-CE2 3.97Å; V146-F157 HydrophobicContact CG1-CZ 3.38Å; V146-V161 HydrophobicContact CB-CG1 3.84Å; V146-V161 HydrophobicContact CG1-CG1 4.04Å; V146-V161 HydrophobicContact CG2-CG1 4.11Å; V146-G166 PolarHBondContact N-O 2.98Å; V146-G166 WeakPolarHBondContact O-CA 3.48Å; V146-L168 HydrophobicContact CG2-CD2 4.24Å; V146-L168 HydrophobicContact CG2-CG 4.41Å; V146-V176 HydrophobicContact CG1-CG1 3.97Å; V146-V176 HydrophobicContact CG2-CG1 4.09Å; V146-V176 HydrophobicContact CG2-CG2 4.43Å
147	Q	71	Confident	73.7	Confident	23 Å²	23	63.8 Å²	63.8	11%	0.107	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	155.8	176.2	-68.1	-172.1	-46.3	0	0	111.3	F29 Y38 T39 F157	F29-Q147 VanDerWaalsContact CE1-OE1 3.26Å; Y38-Q147 HydrophobicContact CD1-CG 3.24Å; Y38-Q147 HydrophobicContact CE1-CG 4.14Å; Y38-Q147 VanDerWaalsContact CE1-NE2 3.27Å; Y38-Q147 VanDerWaalsContact CG-CD 3.41Å; Y38-Q147 HydrophobicContact CG-CG 3.82Å; T39-Q147 WeakPolarHBondContact O-CA 2.87Å; T39-Q147 VanDerWaalsContact O-CB 3.3Å; T39-Q147 WeakPolarHBondContact O-CB 3.49Å; T39-Q147 PolarHBondContact O-N 2.99Å; Q147-F157 VanDerWaalsContact O-CE2 3.26Å; Q147-F157 WeakPolarHBondContact O-CE2 3.42Å; Q147-F157 WeakPolarHBondContact O-CZ 3.26Å
148	G	66.2	Low	73.2	Confident	40 Å²	40	61.6 Å²	61.6	41%	0.412	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-11.9	-177	0	0	0	0	0	113.6	K150 S151 H155	G148-K150 PolarHBondContact O-N 2.86Å; G148-S151 PolarHBondContact O-N 2.9Å; G148-S151 VanDerWaalsContact O-N 3.13Å; G148-H155 PolarHBondContact O-CD2 2.92Å; G148-H155 VanDerWaalsContact O-CD2 3.32Å
149	S	60.6	Low	72.8	Confident	19 Å²	19	63 Å²	63	13%	0.133	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-8.4	179.7	53.9	0	0	0	0	114.8	V146 G166	V146-S149 PolarHBondContact O-OG 3.38Å; S149-G166 PolarHBondContact OG-N 2.78Å
150	K	60.3	Low	72.7	Confident	150 Å²	150	62.2 Å²	62.2	65%	0.652	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-10.5	177.5	-65.3	-168.2	174.8	-167.2	0	113.9	I32 G148 P152	I32-K150 HydrophobicContact CD1-CD 3.75Å; G148-K150 PolarHBondContact O-N 2.86Å; K150-P152 WeakPolarHBondContact O-CD 3.21Å
151	S	64.1	Low	72.8	Confident	62 Å²	62	62 Å²	62	43%	0.434	33%	0.332	S	S	.	.			trans	-120.3	80.7	-178.5	-57.6	0	0	0	0	109.2	G148 E153 M154 H155	G148-S151 PolarHBondContact O-N 2.9Å; G148-S151 VanDerWaalsContact O-N 3.13Å; S151-E153 PolarHBondContact O-N 3.49Å; S151-E153 VanDerWaalsContact O-N 3.12Å; S151-M154 PolarHBondContact O-N 3.01Å; S151-H155 PolarHBondContact O-CD2 2.96Å; S151-H155 PolarHBondContact O-N 2.79Å
152	P	58.6	Low	72.8	Confident	91 Å²	91	52.3 Å²	52.3	59%	0.591	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-56.8	-29.1	-175	20.2	-30.5	0	0	0	113.9	K150 M154 H155	K150-P152 WeakPolarHBondContact O-CD 3.21Å; P152-M154 VanDerWaalsContact C-N 3.27Å; P152-M154 PolarHBondContact O-N 2.63Å; P152-H155 WeakPolarHBondContact CA-NE2 3.46Å
153	E	58.1	Low	72.9	Confident	189 Å²	189	57.6 Å²	57.6	88%	0.883	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-78.4	-11.1	-179.8	-49.8	-165.9	-161.4	0	0	113.6	S151	S151-E153 PolarHBondContact O-N 3.49Å; S151-E153 VanDerWaalsContact O-N 3.12Å
154	M	59.9	Low	73	Confident	140 Å²	140	57.1 Å²	57.1	69%	0.69	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-119	7.7	-173.8	-65.9	-72.7	-168.2	0	0	112.5	S151 P152	S151-M154 PolarHBondContact O-N 3.01Å; P152-M154 VanDerWaalsContact C-N 3.27Å; P152-M154 PolarHBondContact O-N 2.63Å
155	H	66.1	Low	72.8	Confident	39 Å²	39	66.6 Å²	66.6	18%	0.181	36%	0.364	C	S	.	.			trans	-129.1	147.4	-173.5	75.5	45	0	0	0	114.5	G148 S151 P152 F157	G148-H155 PolarHBondContact O-CD2 2.92Å; G148-H155 VanDerWaalsContact O-CD2 3.32Å; S151-H155 PolarHBondContact O-CD2 2.96Å; S151-H155 PolarHBondContact O-N 2.79Å; P152-H155 WeakPolarHBondContact CA-NE2 3.46Å; H155-F157 HydrophobicContact CB-CD2 3.52Å; H155-F157 HydrophobicContact CB-CE2 3.72Å; H155-F157 HydrophobicContact CB-CG 4.21Å; H155-F157 AromaticContact CD2-CD2 3.68Å; H155-F157 AromaticContact CG-CD2 3.47Å; H155-F157 VanDerWaalsContact CG-CD2 3.47Å; H155-F157 AromaticContact ND1-CD2 3.93Å; H155-F157 PolarHBondContact ND1-N 3.04Å
156	C	67.9	Low	72.7	Confident	45 Å²	45	65.8 Å²	65.8	30%	0.304	36%	0.36	S	S	.	.			trans	-99	25.6	176.5	-61.4	0	0	0	0	111.9	V177 P178 S181 S184	C156-V177 HydrophobicContact CB-CG1 4.22Å; C156-P178 WeakPolarHBondContact O-CD 3.12Å; C156-S181 VanDerWaalsContact CB-CB 3.42Å; C156-S184 WeakPolarHBondContact CB-OG 3.35Å
157	F	77.2	Confident	72.7	Confident	16 Å²	16	73.5 Å²	73.5	7%	0.07	39%	0.389	C	S	.	.			trans	-78.8	148.2	-174.2	-61	-44.1	0	0	0	113.1	F41 V146 Q147 H155 V161 V176	F41-F157 HydrophobicContact CB-CE1 3.67Å; F41-F157 HydrophobicContact CB-CZ 3.54Å; F41-F157 HydrophobicContact CD1-CE1 4.13Å; F41-F157 AromaticContact CD2-CE1 3.29Å; F41-F157 HydrophobicContact CD2-CE1 3.29Å; F41-F157 AromaticContact CD2-CZ 3.44Å; F41-F157 HydrophobicContact CD2-CZ 3.44Å; F41-F157 VanDerWaalsContact CD2-CZ 3.44Å; F41-F157 AromaticContact CE2-CE1 3.85Å; F41-F157 HydrophobicContact CE2-CE1 3.85Å; F41-F157 HydrophobicContact CE2-CZ 4.31Å; F41-F157 AromaticContact CG-CE1 3.43Å; F41-F157 HydrophobicContact CG-CE1 3.43Å; F41-F157 VanDerWaalsContact CG-CE1 3.43Å; F41-F157 AromaticContact CG-CZ 3.7Å; F41-F157 HydrophobicContact CG-CZ 3.7Å; F41-F157 HydrophobicContact CZ-CE1 4.49Å; V146-F157 HydrophobicContact CG1-CD1 4.02Å; V146-F157 HydrophobicContact CG1-CD2 4.5Å; V146-F157 HydrophobicContact CG1-CE1 3.43Å; V146-F157 VanDerWaalsContact CG1-CE1 3.43Å; V146-F157 HydrophobicContact CG1-CE2 3.97Å; V146-F157 HydrophobicContact CG1-CZ 3.38Å; Q147-F157 VanDerWaalsContact O-CE2 3.26Å; Q147-F157 WeakPolarHBondContact O-CE2 3.42Å; Q147-F157 WeakPolarHBondContact O-CZ 3.26Å; H155-F157 HydrophobicContact CB-CD2 3.52Å; H155-F157 HydrophobicContact CB-CE2 3.72Å; H155-F157 HydrophobicContact CB-CG 4.21Å; H155-F157 AromaticContact CD2-CD2 3.68Å; H155-F157 AromaticContact CG-CD2 3.47Å; H155-F157 VanDerWaalsContact CG-CD2 3.47Å; H155-F157 AromaticContact ND1-CD2 3.93Å; H155-F157 PolarHBondContact ND1-N 3.04Å; F157-V161 HydrophobicContact CB-CB 4.24Å; F157-V161 HydrophobicContact CB-CG1 4.21Å; F157-V161 HydrophobicContact CG-CG1 4.21Å; F157-V176 WeakPolarHBondContact CA-O 3.49Å; F157-V176 HydrophobicContact CD1-CG1 3.96Å; F157-V176 HydrophobicContact CE1-CG1 4.05Å
158	S	78.1	Confident	73.4	Confident	17 Å²	17	72.7 Å²	72.7	12%	0.119	39%	0.385	C	S	.	.			trans	-62.2	152.5	169.1	72.7	0	0	0	0	111.3	E160 V161 A162 K175 V176	S158-E160 PolarHBondContact O-N 2.98Å; S158-E160 VanDerWaalsContact O-N 3.15Å; S158-V161 PolarHBondContact O-N 3.29Å; S158-V161 PolarHBondContact OG-N 2.7Å; S158-A162 PolarHBondContact O-N 2.71Å; S158-K175 WeakPolarHBondContact CB-O 3.31Å; S158-K175 PolarHBondContact OG-O 2.78Å; S158-V176 PolarHBondContact N-O 2.72Å; S158-V176 VanDerWaalsContact N-O 3.16Å
159	A	81.2	Confident	74.4	Confident	69 Å²	69	74.6 Å²	74.6	57%	0.57	39%	0.386	S	S	*	.	H	α-helix	trans	-54.9	-32.8	174.4	0	0	0	0	0	112.1	A162 N163	A159-A162 PolarHBondContact O-N 2.85Å; A159-N163 WeakPolarHBondContact O-CB 3.27Å; A159-N163 PolarHBondContact O-N 2.86Å; A159-N163 PolarHBondContact O-ND2 2.96Å
160	E	84	Confident	75.6	Confident	72 Å²	72	77.2 Å²	77.2	34%	0.336	40%	0.401	S	S	.	.	H	α-helix	trans	-61.9	-45.9	176.3	-172.6	175.4	-163.8	0	0	111.9	S158 A164 R172 V174	S158-E160 PolarHBondContact O-N 2.98Å; S158-E160 VanDerWaalsContact O-N 3.15Å; E160-A164 VanDerWaalsContact O-CB 3.28Å; E160-A164 WeakPolarHBondContact O-CB 3.37Å; E160-A164 PolarHBondContact O-N 3.45Å; E160-R172 IonicContact OE1-CZ 3.51Å; E160-R172 IonicContact OE1-NE 3.96Å; E160-R172 PolarHBondContact OE1-NE 3.12Å; E160-R172 IonicContact OE1-NH2 3.71Å; E160-R172 PolarHBondContact OE1-NH2 3.18Å; E160-V174 HydrophobicContact CB-CG1 4.31Å; E160-V174 HydrophobicContact CG-CG1 3.98Å
161	V	83.2	Confident	76.9	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.006	39%	0.392	C	S	.	.	H	α-helix	trans	-70	-40.3	177.1	175	0	0	0	0	111.6	V146 F157 S158 A164 R165 G166 V174 V176	V146-V161 HydrophobicContact CB-CG1 3.84Å; V146-V161 HydrophobicContact CG1-CG1 4.04Å; V146-V161 HydrophobicContact CG2-CG1 4.11Å; F157-V161 HydrophobicContact CB-CB 4.24Å; F157-V161 HydrophobicContact CB-CG1 4.21Å; F157-V161 HydrophobicContact CG-CG1 4.21Å; S158-V161 PolarHBondContact O-N 3.29Å; S158-V161 PolarHBondContact OG-N 2.7Å; V161-A164 PolarHBondContact O-N 3.23Å; V161-R165 PolarHBondContact O-N 3.42Å; V161-G166 PolarHBondContact O-N 2.8Å; V161-V174 HydrophobicContact CG2-CG1 3.43Å; V161-V174 VanDerWaalsContact CG2-CG1 3.43Å; V161-V176 HydrophobicContact CG2-CG2 4.38Å
162	A	79.8	Confident	78.2	Confident	30 Å²	30	77.5 Å²	77.5	25%	0.248	39%	0.393	C	S	.	.	H	α-helix	trans	-62.2	-48.2	177.7	0	0	0	0	0	111.3	S158 A159 A164 R165	S158-A162 PolarHBondContact O-N 2.71Å; A159-A162 PolarHBondContact O-N 2.85Å; A162-A164 VanDerWaalsContact C-N 3.31Å; A162-A164 PolarHBondContact O-N 3Å; A162-R165 PolarHBondContact O-N 2.67Å
163	N	84	Confident	79.7	Confident	135 Å²	135	77 Å²	77	72%	0.722	39%	0.388	S	S	*	.	H	α-helix	trans	-64.2	-35.4	178.4	-69.4	-17.3	0	0	0	112.2	A159 R165	A159-N163 WeakPolarHBondContact O-CB 3.27Å; A159-N163 PolarHBondContact O-N 2.86Å; A159-N163 PolarHBondContact O-ND2 2.96Å; N163-R165 PolarHBondContact O-N 3.35Å
164	A	84.1	Confident	81.1	Confident	40 Å²	40	68.3 Å²	68.3	33%	0.331	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	4.9	174.9	0	0	0	0	0	113.9	E160 V161 A162 G166 R167	E160-A164 VanDerWaalsContact O-CB 3.28Å; E160-A164 WeakPolarHBondContact O-CB 3.37Å; E160-A164 PolarHBondContact O-N 3.45Å; V161-A164 PolarHBondContact O-N 3.23Å; A162-A164 VanDerWaalsContact C-N 3.31Å; A162-A164 PolarHBondContact O-N 3Å; A164-G166 PolarHBondContact O-N 2.95Å; A164-R167 WeakPolarHBondContact CB-O 3.33Å; A164-R167 WeakPolarHBondContact O-CB 3.31Å; A164-R167 PolarHBondContact O-N 2.74Å
165	R	81.5	Confident	82.4	Confident	202 Å²	202	65.5 Å²	65.5	76%	0.762	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	38.8	-174.6	-56.3	-177.6	177.4	-154.1	-1.9	112	V161 A162 N163 R167	V161-R165 PolarHBondContact O-N 3.42Å; A162-R165 PolarHBondContact O-N 2.67Å; N163-R165 PolarHBondContact O-N 3.35Å; R165-R167 VanDerWaalsContact C-N 3.25Å; R165-R167 PolarHBondContact O-N 3.27Å
166	G	78.9	Confident	83.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	-10.7	-177.2	0	0	0	0	0	115.7	I145 V146 S149 V161 A164 L168	I145-G166 CarbonylContact C-O 3.55Å; I145-G166 VanDerWaalsContact CA-O 3.31Å; I145-G166 WeakPolarHBondContact CA-O 3.23Å; V146-G166 PolarHBondContact N-O 2.98Å; V146-G166 WeakPolarHBondContact O-CA 3.48Å; S149-G166 PolarHBondContact OG-N 2.78Å; V161-G166 PolarHBondContact O-N 2.8Å; A164-G166 PolarHBondContact O-N 2.95Å; G166-L168 PolarHBondContact O-N 2.62Å
167	R	82.4	Confident	83.7	Confident	163 Å²	163	61.9 Å²	61.9	62%	0.615	31%	0.311	S	S	*	.	B	Isolated β-bridge	trans	-72.7	129.3	-175.4	-70.6	176.7	169.6	169.1	-2	111.1	I145 A164 R165	I145-R167 HydrophobicContact CD1-CG 3.61Å; I145-R167 HydrophobicContact CG1-CG 3.86Å; A164-R167 WeakPolarHBondContact CB-O 3.33Å; A164-R167 WeakPolarHBondContact O-CB 3.31Å; A164-R167 PolarHBondContact O-N 2.74Å; R165-R167 VanDerWaalsContact C-N 3.25Å; R165-R167 PolarHBondContact O-N 3.27Å
168	L	85.2	Confident	83.4	Confident	6 Å²	6	62.1 Å²	62.1	3%	0.031	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-93.8	132.5	174.9	-58.2	-175.3	0	0	0	111.5	A136 R138 V144 V146 G166 V174	A136-L168 HydrophobicContact CB-CD1 3.85Å; R138-L168 HydrophobicContact CB-CB 4Å; R138-L168 WeakPolarHBondContact CD-O 3.5Å; R138-L168 PolarHBondContact NH1-O 2.62Å; V144-L168 HydrophobicContact CB-CB 4.44Å; V144-L168 HydrophobicContact CB-CD1 4.3Å; V144-L168 HydrophobicContact CG1-CD1 3.83Å; V144-L168 HydrophobicContact CG1-CG 4.45Å; V144-L168 PolarHBondContact O-N 3.39Å; V146-L168 HydrophobicContact CG2-CD2 4.24Å; V146-L168 HydrophobicContact CG2-CG 4.41Å; G166-L168 PolarHBondContact O-N 2.62Å; L168-V174 HydrophobicContact CD2-CB 4.17Å; L168-V174 HydrophobicContact CD2-CG1 4.45Å; L168-V174 HydrophobicContact CD2-CG2 4.32Å
169	D	86.7	Confident	82.9	Confident	81 Å²	81	68.1 Å²	68.1	43%	0.433	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-70.9	144.8	172.3	-66.7	-32.1	0	0	0	111.2	Q171 R172	D169-Q171 PolarHBondContact O-N 3.02Å; D169-R172 HydrophobicContact CB-CB 3.69Å; D169-R172 HydrophobicContact CB-CG 4.44Å; D169-R172 PolarHBondContact O-N 3.03Å; D169-R172 WeakPolarHBondContact OD2-CD 3.45Å; D169-R172 IonicContact OD2-CZ 3.96Å; D169-R172 IonicContact OD2-NE 2.67Å; D169-R172 IonicContact OD2-NH1 3.48Å; D169-R172 PolarHBondContact OD2-NH1 2.78Å
170	V	87.1	Confident	81.5	Confident	73 Å²	73	69.9 Å²	69.9	44%	0.442	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-62	129.9	178.6	178.2	0	0	0	0	109.6	R172	V170-R172 PolarHBondContact O-N 2.74Å
171	Q	87.4	Confident	79.9	Confident	100 Å²	100	68.1 Å²	68.1	47%	0.467	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	6.5	178.4	-62.1	-68.9	-29.7	0	0	115.8	K137 R138 R139 D169	K137-Q171 WeakPolarHBondContact CE-O 3.13Å; R138-Q171 WeakPolarHBondContact O-CA 3.43Å; R138-Q171 PolarHBondContact O-N 2.88Å; R139-Q171 PolarHBondContact O-NE2 3.08Å; D169-Q171 PolarHBondContact O-N 3.02Å
172	R	90.4	Very high	77.7	Confident	118 Å²	118	72.8 Å²	72.8	45%	0.445	37%	0.374	S	S	.	.			trans	-88.7	131.3	172.5	-167.8	177.7	177.6	164.7	2.4	110.2	E160 D169 V170 V174	E160-R172 IonicContact OE1-CZ 3.51Å; E160-R172 IonicContact OE1-NE 3.96Å; E160-R172 PolarHBondContact OE1-NE 3.12Å; E160-R172 IonicContact OE1-NH2 3.71Å; E160-R172 PolarHBondContact OE1-NH2 3.18Å; D169-R172 HydrophobicContact CB-CB 3.69Å; D169-R172 HydrophobicContact CB-CG 4.44Å; D169-R172 PolarHBondContact O-N 3.03Å; D169-R172 WeakPolarHBondContact OD2-CD 3.45Å; D169-R172 IonicContact OD2-CZ 3.96Å; D169-R172 IonicContact OD2-NE 2.67Å; D169-R172 IonicContact OD2-NH1 3.48Å; D169-R172 PolarHBondContact OD2-NH1 2.78Å; V170-R172 PolarHBondContact O-N 2.74Å; R172-V174 HydrophobicContact CG-CG2 4.14Å
173	V	89.5	Confident	75.5	Confident	82 Å²	82	78.6 Å²	78.6	50%	0.497	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.1	170.1	-178.6	0	0	0	0	107.5	L135 K137	L135-V173 HydrophobicContact CB-CG1 4.04Å; L135-V173 HydrophobicContact CD1-CG1 4.22Å; K137-V173 HydrophobicContact CB-CG2 4.09Å; K137-V173 HydrophobicContact CD-CG2 3.81Å; K137-V173 HydrophobicContact CG-CG2 4.05Å
174	V	88.2	Confident	73.2	Confident	6 Å²	6	73.6 Å²	73.6	4%	0.036	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.4	178.5	177.8	0	0	0	0	108.6	L135 A136 E160 V161 L168 R172 V176	L135-V174 CarbonylContact C-O 3.55Å; L135-V174 WeakPolarHBondContact CA-O 3.28Å; A136-V174 PolarHBondContact N-O 3.42Å; A136-V174 PolarHBondContact O-N 2.89Å; E160-V174 HydrophobicContact CB-CG1 4.31Å; E160-V174 HydrophobicContact CG-CG1 3.98Å; V161-V174 HydrophobicContact CG2-CG1 3.43Å; V161-V174 VanDerWaalsContact CG2-CG1 3.43Å; L168-V174 HydrophobicContact CD2-CB 4.17Å; L168-V174 HydrophobicContact CD2-CG1 4.45Å; L168-V174 HydrophobicContact CD2-CG2 4.32Å; R172-V174 HydrophobicContact CG-CG2 4.14Å; V174-V176 PolarHBondContact O-N 2.95Å
175	K	86.7	Confident	70.8	Confident	80 Å²	80	74.6 Å²	74.6	35%	0.348	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	106.4	171.9	-171.9	175.3	-74.4	-172.1	0	107.9	N133 L135 S158 P178	N133-K175 HydrophobicContact CB-CD 3.68Å; N133-K175 HydrophobicContact CB-CG 3.88Å; N133-K175 VanDerWaalsContact CG-NZ 3.28Å; N133-K175 WeakPolarHBondContact ND2-CE 3.4Å; N133-K175 PolarHBondContact ND2-NZ 3.3Å; L135-K175 HydrophobicContact CD2-CB 3.81Å; L135-K175 HydrophobicContact CD2-CG 3.91Å; S158-K175 WeakPolarHBondContact CB-O 3.31Å; S158-K175 PolarHBondContact OG-O 2.78Å; K175-P178 HydrophobicContact CD-CB 4.1Å
176	V	83.7	Confident	68.9	Low	3 Å²	3	66 Å²	66	2%	0.018	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-49.7	-176.5	-178.5	0	0	0	0	110.6	F41 I134 A136 V146 F157 S158 V161 V174	F41-V176 HydrophobicContact CE1-CG1 4.49Å; F41-V176 HydrophobicContact CE2-CG1 3.92Å; F41-V176 HydrophobicContact CZ-CG1 3.76Å; I134-V176 PolarHBondContact O-N 2.82Å; A136-V176 HydrophobicContact CB-CG2 3.39Å; V146-V176 HydrophobicContact CG1-CG1 3.97Å; V146-V176 HydrophobicContact CG2-CG1 4.09Å; V146-V176 HydrophobicContact CG2-CG2 4.43Å; F157-V176 WeakPolarHBondContact CA-O 3.49Å; F157-V176 HydrophobicContact CD1-CG1 3.96Å; F157-V176 HydrophobicContact CE1-CG1 4.05Å; S158-V176 PolarHBondContact N-O 2.72Å; S158-V176 VanDerWaalsContact N-O 3.16Å; V161-V176 HydrophobicContact CG2-CG2 4.38Å; V174-V176 PolarHBondContact O-N 2.95Å
177	V	79	Confident	66.8	Low	6 Å²	6	66.2 Å²	66.2	4%	0.036	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	114.9	177.5	-176.8	0	0	0	0	108.8	F41 N133 I134 C156 S184	F41-V177 HydrophobicContact CD1-CG2 3.86Å; F41-V177 HydrophobicContact CE1-CG2 3.61Å; F41-V177 HydrophobicContact CZ-CG2 4.33Å; N133-V177 WeakPolarHBondContact CA-O 3.43Å; I134-V177 HydrophobicContact CB-CB 4.09Å; I134-V177 HydrophobicContact CB-CG2 4.46Å; I134-V177 HydrophobicContact CD1-CB 4.23Å; I134-V177 HydrophobicContact CD1-CG2 4.29Å; I134-V177 HydrophobicContact CG1-CB 4.31Å; I134-V177 PolarHBondContact N-O 3.45Å; I134-V177 PolarHBondContact O-N 3.06Å; C156-V177 HydrophobicContact CB-CG1 4.22Å; V177-S184 VanDerWaalsContact CG1-OG 3.3Å; V177-S184 WeakPolarHBondContact CG1-OG 3.36Å
178	P	69.9	Low	64.7	Low	20 Å²	20	58.8 Å²	58.8	13%	0.13	32%	0.316	C	S	.	.			trans	-79	138.9	168.8	28	-19.6	0	0	0	110.8	N133 C156 K175 S180 S181	N133-P178 VanDerWaalsContact OD1-CA 3.31Å; N133-P178 WeakPolarHBondContact OD1-CA 3.35Å; C156-P178 WeakPolarHBondContact O-CD 3.12Å; K175-P178 HydrophobicContact CD-CB 4.1Å; P178-S180 PolarHBondContact O-N 3.21Å; P178-S180 VanDerWaalsContact O-N 3.1Å; P178-S181 WeakPolarHBondContact O-CB 3.47Å; P178-S181 PolarHBondContact O-N 3.19Å
179	K	67.9	Low	62.4	Low	144 Å²	144	58.7 Å²	58.7	63%	0.626	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.1	178.7	175.4	176.2	173.1	-178.2	0	113.3	H131 N133 S181	H131-K179 VanDerWaalsContact O-CB 3.29Å; H131-K179 WeakPolarHBondContact O-CB 3.36Å; H131-K179 WeakPolarHBondContact O-CD 3.46Å; N133-K179 PolarHBondContact OD1-N 3.39Å; K179-S181 CarbonylContact O-C 3.12Å; K179-S181 PolarHBondContact O-N 3.29Å
180	S	52.4	Low	59.9	Low	106 Å²	106	55.5 Å²	55.5	74%	0.741	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-18.9	176.6	58.2	0	0	0	0	112.9	P178 S182	P178-S180 PolarHBondContact O-N 3.21Å; P178-S180 VanDerWaalsContact O-N 3.1Å; S180-S182 PolarHBondContact O-N 2.86Å
181	S	50.6	Low	57.5	Low	34 Å²	34	52.1 Å²	52.1	24%	0.238	28%	0.278	C	S	.	.	S	Bend	trans	-92.7	91	170.1	-50.2	0	0	0	0	108.5	C156 P178 K179 L183	C156-S181 VanDerWaalsContact CB-CB 3.42Å; P178-S181 WeakPolarHBondContact O-CB 3.47Å; P178-S181 PolarHBondContact O-N 3.19Å; K179-S181 CarbonylContact O-C 3.12Å; K179-S181 PolarHBondContact O-N 3.29Å; S181-L183 PolarHBondContact O-N 2.71Å
182	S	36.4	Very low	54.8	Low	99 Å²	99	48.3 Å²	48.3	69%	0.692	26%	0.261	S	S	*	.			trans	-43	127.1	-174.6	-48.8	0	0	0	0	113.5	S180	S180-S182 PolarHBondContact O-N 2.86Å
183	L	33.2	Very low	52.1	Low	153 Å²	153	46.3 Å²	46.3	80%	0.801	27%	0.269	S	S	*	.			trans	55.3	76.3	167.1	-74.4	155.4	0	0	0	115.7	S181 F185	S181-L183 PolarHBondContact O-N 2.71Å; L183-F185 HydrophobicContact CD2-CE2 4.37Å
184	S	36.1	Very low	50.2	Low	30 Å²	30	44.5 Å²	44.5	21%	0.21	26%	0.258	C	S	.	.			trans	-111.3	106.5	164.4	-34	0	0	0	0	110.7	C156 V177	C156-S184 WeakPolarHBondContact CB-OG 3.35Å; V177-S184 VanDerWaalsContact CG1-OG 3.3Å; V177-S184 WeakPolarHBondContact CG1-OG 3.36Å
185	F	34.4	Very low	48.2	Very low	61 Å²	61	46.5 Å²	46.5	27%	0.268	27%	0.269	S	S	.	.			trans	-90.7	155.1	160.1	-77.8	-95.6	0	0	0	109.1	L183	L183-F185 HydrophobicContact CD2-CE2 4.37Å
186	F	41.4	Very low	46.1	Very low	21 Å²	21	44.7 Å²	44.7	9%	0.092	27%	0.265	C	S	.	.			trans	96.2	132.5	160.6	-59.1	-95	0	0	0	119.4	F41 L43 I51 K65 I67	F41-F186 VanDerWaalsContact CD1-O 3.31Å; F41-F186 WeakPolarHBondContact CD1-O 3.33Å; F41-F186 VanDerWaalsContact CE1-O 3.26Å; F41-F186 WeakPolarHBondContact CE1-O 3.49Å; L43-F186 HydrophobicContact CD1-CD2 3.94Å; L43-F186 HydrophobicContact CD1-CE2 4.04Å; L43-F186 HydrophobicContact CD2-CD2 3.53Å; L43-F186 HydrophobicContact CD2-CE2 3.92Å; L43-F186 HydrophobicContact CD2-CG 4.16Å; L43-F186 HydrophobicContact CG-CD2 4.17Å; I51-F186 HydrophobicContact CD1-CE2 3.57Å; I51-F186 HydrophobicContact CD1-CZ 4.05Å; I51-F186 HydrophobicContact CG1-CE2 4.5Å; K65-F186 HydrophobicContact CB-CD1 3.74Å; K65-F186 HydrophobicContact CB-CE1 3.3Å; K65-F186 HydrophobicContact CB-CZ 3.87Å; K65-F186 HydrophobicContact CD-CD1 4.35Å; K65-F186 HydrophobicContact CD-CE1 3.35Å; K65-F186 HydrophobicContact CD-CZ 3.95Å; K65-F186 HydrophobicContact CG-CD1 3.87Å; K65-F186 HydrophobicContact CG-CE1 3.32Å; K65-F186 HydrophobicContact CG-CZ 4.2Å; K65-F186 VanDerWaalsContact O-CD1 3.23Å; K65-F186 WeakPolarHBondContact O-CD1 3.43Å; I67-F186 HydrophobicContact CD1-CD1 4.21Å; I67-F186 HydrophobicContact CD1-CE1 4.34Å
187	T	34.5	Very low	43.9	Very low	5 Å²	5	47.1 Å²	47.1	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.6	160.8	-58.7	0	0	0	0	106.6	T39 K65 L66 I67 I126 Y189	T39-T187 HydrophobicContact CG2-CG2 3.69Å; K65-T187 PolarHBondContact O-N 3.11Å; L66-T187 HydrophobicContact CD1-CG2 4.31Å; I67-T187 PolarHBondContact N-O 2.7Å; I126-T187 HydrophobicContact CD1-CG2 3.56Å; T187-Y189 HydrophobicContact CG2-CD2 3.91Å; T187-Y189 HydrophobicContact CG2-CE2 3.43Å; T187-Y189 VanDerWaalsContact CG2-CE2 3.43Å
188	A	36.9	Very low	41.7	Very low	7 Å²	7	49.7 Å²	49.7	6%	0.058	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.4	170.1	0	0	0	0	0	109.4	Y38 T39 S40 I67 M69 N190	Y38-A188 VanDerWaalsContact O-O 3.1Å; T39-A188 VanDerWaalsContact CA-O 3.24Å; T39-A188 WeakPolarHBondContact CA-O 3.39Å; S40-A188 PolarHBondContact N-O 3.43Å; I67-A188 HydrophobicContact CB-CB 4.46Å; I67-A188 CarbonylContact O-C 3.6Å; I67-A188 VanDerWaalsContact O-CA 3.26Å; I67-A188 WeakPolarHBondContact O-CA 3.45Å; M69-A188 HydrophobicContact SD-CB 4.48Å; A188-N190 PolarHBondContact O-N 2.93Å
189	Y	38.1	Very low	39.8	Very low	3 Å²	3	51.7 Å²	51.7	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	115.2	172	-72.4	-96.6	0	0	0	109	L37 Y38 T39 L66 I67 L68 M69 V87 V124 I126 T187	L37-Y189 HydrophobicContact CD2-CD1 4.47Å; Y38-Y189 VanDerWaalsContact O-CA 3.23Å; Y38-Y189 WeakPolarHBondContact O-CA 3.42Å; T39-Y189 HydrophobicContact CG2-CE1 4.38Å; L66-Y189 HydrophobicContact CD1-CD2 3.45Å; L66-Y189 VanDerWaalsContact CD1-CD2 3.45Å; L66-Y189 HydrophobicContact CD1-CE2 3.36Å; I67-Y189 PolarHBondContact O-N 3.15Å; L68-Y189 HydrophobicContact CD2-CD2 3.49Å; L68-Y189 VanDerWaalsContact CD2-CD2 3.49Å; L68-Y189 HydrophobicContact CD2-CE2 4.29Å; L68-Y189 HydrophobicContact CD2-CG 3.86Å; M69-Y189 CarbonylContact C-O 3.58Å; M69-Y189 VanDerWaalsContact CA-O 3.23Å; M69-Y189 WeakPolarHBondContact CA-O 3.43Å; M69-Y189 WeakPolarHBondContact CB-O 3.32Å; M69-Y189 PolarHBondContact N-O 3.31Å; M69-Y189 VanDerWaalsContact O-O 3.06Å; V87-Y189 HydrophobicContact CB-CE1 4.27Å; V87-Y189 HydrophobicContact CB-CE2 4.25Å; V87-Y189 HydrophobicContact CG1-CE1 4.17Å; V87-Y189 HydrophobicContact CG1-CE2 4.27Å; V87-Y189 HydrophobicContact CG2-CE2 3.71Å; V87-Y189 WeakPolarHBondContact CG2-OH 3.17Å; V124-Y189 HydrophobicContact CG1-CE1 3.56Å; V124-Y189 WeakPolarHBondContact CG1-OH 3.44Å; I126-Y189 HydrophobicContact CD1-CE2 4.29Å; I126-Y189 WeakPolarHBondContact CD1-OH 3.38Å; T187-Y189 HydrophobicContact CG2-CD2 3.91Å; T187-Y189 HydrophobicContact CG2-CE2 3.43Å; T187-Y189 VanDerWaalsContact CG2-CE2 3.43Å
190	N	34.7	Very low	37.8	Very low	15 Å²	15	45.1 Å²	45.1	8%	0.08	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	141.1	166	-162.2	-25	0	0	0	108.6	Y38 K71 A188 N192	Y38-N190 WeakPolarHBondContact CB-O 3.43Å; Y38-N190 HydrophobicContact CD2-CB 4.07Å; Y38-N190 WeakPolarHBondContact CD2-O 3.24Å; Y38-N190 HydrophobicContact CG-CB 4.31Å; Y38-N190 PolarHBondContact N-O 2.88Å; Y38-N190 VanDerWaalsContact N-O 3.12Å; Y38-N190 PolarHBondContact O-N 2.78Å; K71-N190 PolarHBondContact O-ND2 3.16Å; K71-N190 PolarHBondContact O-OD1 3.2Å; A188-N190 PolarHBondContact O-N 2.93Å; N190-N192 PolarHBondContact ND2-ND2 3.17Å; N190-N192 PolarHBondContact ND2-OD1 3.02Å; N190-N192 VanDerWaalsContact ND2-OD1 3.11Å; N190-N192 PolarHBondContact OD1-N 2.72Å; N190-N192 PolarHBondContact OD1-OD1 3.35Å
191	L	35.4	Very low	36.7	Very low	2 Å²	2	40.4 Å²	40.4	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	83.6	159.4	-68.7	-179.8	0	0	0	106.3	L37 M69 E70 K71 F101 T113 I116 R117 A193	L37-L191 HydrophobicContact CD2-CD2 3.57Å; L37-L191 HydrophobicContact CG-CD2 4.41Å; M69-L191 PolarHBondContact O-N 3.49Å; E70-L191 HydrophobicContact CG-CD1 4.35Å; K71-L191 WeakPolarHBondContact CA-O 3.08Å; K71-L191 WeakPolarHBondContact CG-O 3.44Å; K71-L191 PolarHBondContact N-O 2.72Å; F101-L191 HydrophobicContact CD1-CD1 4.42Å; F101-L191 HydrophobicContact CE1-CD1 3.31Å; F101-L191 HydrophobicContact CE1-CG 4.2Å; F101-L191 HydrophobicContact CZ-CD1 3.42Å; F101-L191 VanDerWaalsContact CZ-CD1 3.42Å; F101-L191 HydrophobicContact CZ-CG 3.85Å; T113-L191 HydrophobicContact CG2-CD1 4.33Å; I116-L191 HydrophobicContact CG2-CD2 3.64Å; R117-L191 HydrophobicContact CG-CD1 3.82Å; L191-A193 PolarHBondContact O-N 2.85Å
192	N	30.9	Very low	35.5	Very low	20 Å²	20	40.9 Å²	40.9	11%	0.107	25%	0.248	C	C	.	.			trans	-81.2	120.8	170.2	-78.5	-26.2	0	0	0	109.4	Y38 N190	Y38-N192 HydrophobicContact CD2-CB 4.07Å; Y38-N192 HydrophobicContact CE2-CB 3.44Å; Y38-N192 VanDerWaalsContact CE2-CB 3.44Å; N190-N192 PolarHBondContact ND2-ND2 3.17Å; N190-N192 PolarHBondContact ND2-OD1 3.02Å; N190-N192 VanDerWaalsContact ND2-OD1 3.11Å; N190-N192 PolarHBondContact OD1-N 2.72Å; N190-N192 PolarHBondContact OD1-OD1 3.35Å
193	A	34.4	Very low	35.5	Very low	75 Å²	75	35.6 Å²	35.6	62%	0.62	21%	0.208	S	C	*	.			trans	-126	0	146.9	0	0	0	0	0	106.5	K71 H112 I116 L191	K71-A193 VanDerWaalsContact CE-O 3.27Å; K71-A193 WeakPolarHBondContact CE-O 3.39Å; H112-A193 WeakPolarHBondContact CE1-CB 3.23Å; H112-A193 WeakPolarHBondContact ND1-CB 3.37Å; I116-A193 HydrophobicContact CD1-CB 4.16Å; L191-A193 PolarHBondContact O-N 2.85Å

Retrieved 193 of 193 residues in 149.4 ms (Link to these results)

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