A0A077ZLZ8_TRITR Loading...

18 kDa Sin3-associated polypeptide

AlphaFold DB , UniProt , Accession A0A077ZLZ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 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	41.9	Very low	45.6	Very low	225 Å²	225	165.4 Å²	165.4	100%	1.108	81%	0.809	S	S	*	*				0	99.2	0	-69.2	166.4	-169.5	0	0	104.1
2	E	42.4	Very low	45.1	Very low	175 Å²	175	161.7 Å²	161.7	82%	0.818	81%	0.812	S	S	*	*				83.2	118.2	120	-84.4	176.9	133.5	0	0	108.2
3	E	49.5	Very low	45.3	Very low	167 Å²	167	157.2 Å²	157.2	78%	0.78	80%	0.798	S	S	*	*			cis	-162.7	137.7	41	-69.3	-173.7	127.4	0	0	112.2
4	V	51	Low	45.2	Very low	118 Å²	118	155.2 Å²	155.2	72%	0.715	78%	0.784	S	S	*	*			trans	60.4	90.6	130.3	-168.5	0	0	0	0	119.1	T6	V4-T6 PolarHBondContact O-N 3.26Å
5	E	48.1	Very low	45.3	Very low	193 Å²	193	155.7 Å²	155.7	90%	0.902	78%	0.783	S	S	*	*			trans	-58.5	116.6	150.3	-85.5	169.6	125.6	0	0	110.3	E7	E5-E7 PolarHBondContact O-N 3.04Å
6	T	49.4	Very low	45.7	Very low	117 Å²	117	149.3 Å²	149.3	72%	0.718	77%	0.768	S	S	*	*			trans	-84.6	90.8	170	-45.2	0	0	0	0	108.3	V4 Q8	V4-T6 PolarHBondContact O-N 3.26Å; T6-Q8 PolarHBondContact O-N 3.06Å
7	E	45.3	Very low	46.7	Very low	161 Å²	161	147 Å²	147	75%	0.752	75%	0.751	S	S	*	*			trans	-68.8	90.8	172.4	-168.1	176.2	107.5	0	0	109.6	E5 R9	E5-E7 PolarHBondContact O-N 3.04Å; E7-R9 VanDerWaalsContact C-N 3.26Å; E7-R9 PolarHBondContact O-N 3Å
8	Q	43.3	Very low	48.4	Very low	166 Å²	166	145.3 Å²	145.3	78%	0.776	75%	0.749	S	S	*	*			trans	-73.3	84.7	166.2	-72.3	-173.3	-0.4	0	0	109.1	T6 Q10	T6-Q8 PolarHBondContact O-N 3.06Å; Q8-Q10 PolarHBondContact O-N 3.2Å
9	R	41.6	Very low	50.2	Low	219 Å²	219	138.7 Å²	138.7	83%	0.826	72%	0.716	S	S	*	*			trans	-71.7	94.9	171.8	-156.7	170.4	-174.9	-161.7	3.3	109.1	E7	E7-R9 VanDerWaalsContact C-N 3.26Å; E7-R9 PolarHBondContact O-N 3Å
10	Q	42.5	Very low	52.2	Low	165 Å²	165	134.7 Å²	134.7	77%	0.771	70%	0.696	S	S	*	*			trans	-58.8	138.9	173	-71.8	176.5	-2.5	0	0	110.4	Q8 S12	Q8-Q10 PolarHBondContact O-N 3.2Å; Q10-S12 PolarHBondContact O-N 3.17Å
11	P	46.2	Very low	54	Low	113 Å²	113	132.6 Å²	132.6	73%	0.734	68%	0.679	S	S	*	*			trans	-72.4	123.7	179.2	29.3	-30.8	0	0	0	109.6	V13	P11-V13 WeakPolarHBondContact O-CG2 3.32Å; P11-V13 PolarHBondContact O-N 2.79Å; P11-V13 VanDerWaalsContact O-N 3.1Å
12	S	39.4	Very low	56.2	Low	121 Å²	121	130.9 Å²	130.9	85%	0.846	67%	0.668	S	S	*	*			trans	-58.3	113.4	172.1	-30.8	0	0	0	0	109.1	Q10 E14	Q10-S12 PolarHBondContact O-N 3.17Å; S12-E14 PolarHBondContact O-N 3.46Å
13	V	47.7	Very low	58.5	Low	103 Å²	103	130.6 Å²	130.6	62%	0.624	66%	0.664	S	S	*	*			trans	-75.6	114.3	-173.8	-160.8	0	0	0	0	109.1	P11 E15	P11-V13 WeakPolarHBondContact O-CG2 3.32Å; P11-V13 PolarHBondContact O-N 2.79Å; P11-V13 VanDerWaalsContact O-N 3.1Å; V13-E15 HydrophobicContact CB-CG 3.41Å; V13-E15 VanDerWaalsContact CB-CG 3.41Å; V13-E15 HydrophobicContact CG1-CB 4.25Å; V13-E15 HydrophobicContact CG1-CG 3.04Å; V13-E15 HydrophobicContact CG2-CG 4.5Å; V13-E15 PolarHBondContact O-N 3.26Å
14	E	44.3	Very low	60.4	Low	130 Å²	130	127.1 Å²	127.1	61%	0.607	65%	0.649	S	S	*	*			trans	-71.5	64.8	163.8	-73.7	-147.7	148.3	0	0	109.6	S12 G16 K17	S12-E14 PolarHBondContact O-N 3.46Å; E14-G16 PolarHBondContact O-N 2.69Å; E14-K17 VanDerWaalsContact CD-NZ 3.33Å; E14-K17 PolarHBondContact O-N 3.17Å; E14-K17 IonicContact OE1-NZ 3.24Å; E14-K17 PolarHBondContact OE1-NZ 3.3Å; E14-K17 VanDerWaalsContact OE1-NZ 3.11Å; E14-K17 WeakPolarHBondContact OE2-CD 3.28Å; E14-K17 IonicContact OE2-NZ 2.97Å; E14-K17 PolarHBondContact OE2-NZ 3.46Å
15	E	46.1	Very low	62.3	Low	163 Å²	163	127.1 Å²	127.1	76%	0.762	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	0.5	-168.5	-72.8	-176.3	159.4	0	0	116.2	V13	V13-E15 HydrophobicContact CB-CG 3.41Å; V13-E15 VanDerWaalsContact CB-CG 3.41Å; V13-E15 HydrophobicContact CG1-CB 4.25Å; V13-E15 HydrophobicContact CG1-CG 3.04Å; V13-E15 HydrophobicContact CG2-CG 4.5Å; V13-E15 PolarHBondContact O-N 3.26Å
16	G	53	Low	64.6	Low	53 Å²	53	120.2 Å²	120.2	55%	0.546	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.5	-18.1	-178.3	0	0	0	0	0	116.1	E14 R60	E14-G16 PolarHBondContact O-N 2.69Å; G16-R60 PolarHBondContact O-NH2 3.06Å
17	K	62.3	Low	66.7	Low	110 Å²	110	116.4 Å²	116.4	48%	0.478	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.1	-27.7	-163.1	-65.7	-174.7	-161.7	150.5	0	115.5	E14 D61	E14-K17 VanDerWaalsContact CD-NZ 3.33Å; E14-K17 PolarHBondContact O-N 3.17Å; E14-K17 IonicContact OE1-NZ 3.24Å; E14-K17 PolarHBondContact OE1-NZ 3.3Å; E14-K17 VanDerWaalsContact OE1-NZ 3.11Å; E14-K17 WeakPolarHBondContact OE2-CD 3.28Å; E14-K17 IonicContact OE2-NZ 2.97Å; E14-K17 PolarHBondContact OE2-NZ 3.46Å; K17-D61 WeakPolarHBondContact O-CB 3.29Å
18	T	76.9	Confident	69.1	Low	117 Å²	117	112.3 Å²	112.3	72%	0.718	58%	0.582	S	S	*	*			trans	-108.4	127.7	-173.4	54.8	0	0	0	0	111.8
19	V	83.4	Confident	71.5	Confident	20 Å²	20	104.4 Å²	104.4	12%	0.121	55%	0.545	C	S	.	.			trans	-95.4	129.3	179	174.1	0	0	0	0	109.1	R21 M24 W59 R60 D61	V19-R21 PolarHBondContact O-N 2.7Å; V19-M24 HydrophobicContact CB-CE 4Å; V19-M24 HydrophobicContact CG1-CB 4.01Å; V19-M24 HydrophobicContact CG1-CE 3.32Å; V19-M24 HydrophobicContact CG1-CG 4.33Å; V19-M24 HydrophobicContact CG1-SD 3.64Å; V19-W59 HydrophobicContact CB-CB 4.25Å; V19-W59 HydrophobicContact CG1-CB 3.92Å; V19-W59 HydrophobicContact CG1-CG 3.88Å; V19-W59 HydrophobicContact CG2-CB 4.39Å; V19-R60 HydrophobicContact CG2-CG 3.37Å; V19-D61 HydrophobicContact CB-CB 4.25Å; V19-D61 WeakPolarHBondContact CB-OD2 3.41Å; V19-D61 HydrophobicContact CG2-CB 3.88Å; V19-D61 PolarHBondContact N-OD2 2.87Å
20	D	88.9	Confident	74.1	Confident	58 Å²	58	97.1 Å²	97.1	31%	0.31	52%	0.518	S	S	.	.			trans	-67.8	94.8	165.7	-172.2	-14.9	0	0	0	110.2	E22 K23 M24	D20-E22 PolarHBondContact O-N 2.96Å; D20-E22 PolarHBondContact OD1-N 3.43Å; D20-K23 HydrophobicContact CB-CB 4.5Å; D20-K23 PolarHBondContact O-N 3.24Å; D20-K23 PolarHBondContact OD1-N 3.4Å; D20-K23 VanDerWaalsContact OD2-CD 3.28Å; D20-K23 WeakPolarHBondContact OD2-CD 3.41Å; D20-K23 WeakPolarHBondContact OD2-CE 3.38Å; D20-K23 WeakPolarHBondContact OD2-CG 3.49Å; D20-K23 IonicContact OD2-NZ 2.84Å; D20-K23 PolarHBondContact OD2-NZ 3.22Å; D20-M24 HydrophobicContact CB-CE 4.03Å; D20-M24 WeakPolarHBondContact O-CB 3.4Å; D20-M24 PolarHBondContact O-N 3.22Å
21	R	89.7	Confident	76.6	Confident	90 Å²	90	89.2 Å²	89.2	34%	0.34	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.6	-176.2	-62.9	-176.3	174.1	-175.4	-4.7	113.5	V19 W59 D61 E66	V19-R21 PolarHBondContact O-N 2.7Å; R21-W59 HydrophobicContact CB-CD2 4.1Å; R21-W59 HydrophobicContact CB-CE3 4.27Å; R21-W59 HydrophobicContact CB-CH2 3.85Å; R21-W59 HydrophobicContact CB-CZ2 3.63Å; R21-W59 HydrophobicContact CB-CZ3 4.17Å; R21-W59 VanDerWaalsContact CD-CE3 3.44Å; R21-W59 HydrophobicContact CG-CD2 3.6Å; R21-W59 HydrophobicContact CG-CE3 3.65Å; R21-W59 HydrophobicContact CG-CG 4.14Å; R21-W59 HydrophobicContact CG-CH2 4.14Å; R21-W59 HydrophobicContact CG-CZ2 4.08Å; R21-W59 HydrophobicContact CG-CZ3 3.94Å; R21-W59 WeakPolarHBondContact O-CZ2 3.5Å; R21-D61 IonicContact CZ-OD1 3.24Å; R21-D61 IonicContact NE-OD1 2.93Å; R21-D61 PolarHBondContact NE-OD1 2.84Å; R21-D61 IonicContact NE-OD2 3.68Å; R21-D61 IonicContact NH2-OD1 2.8Å; R21-D61 PolarHBondContact NH2-OD1 3.3Å; R21-D61 IonicContact NH2-OD2 3.77Å; R21-E66 IonicContact CZ-OE1 3.63Å; R21-E66 IonicContact CZ-OE2 2.75Å; R21-E66 IonicContact NH1-OE1 3.48Å; R21-E66 PolarHBondContact NH1-OE1 2.93Å; R21-E66 IonicContact NH1-OE2 2.79Å; R21-E66 IonicContact NH2-OE1 3.59Å; R21-E66 PolarHBondContact NH2-OE1 3.37Å; R21-E66 IonicContact NH2-OE2 3.64Å; R21-E66 PolarHBondContact NH2-OE2 3.24Å
22	E	89.7	Confident	79	Confident	189 Å²	189	83.9 Å²	83.9	88%	0.883	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-32.5	176.2	-63.2	-172.8	167.1	0	0	112	D20	D20-E22 PolarHBondContact O-N 2.96Å; D20-E22 PolarHBondContact OD1-N 3.43Å
23	K	90.1	Very high	81.6	Confident	170 Å²	170	78.5 Å²	78.5	74%	0.739	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-22.4	-178.3	-62.6	-172	-169.8	116	0	114	D20	D20-K23 HydrophobicContact CB-CB 4.5Å; D20-K23 PolarHBondContact O-N 3.24Å; D20-K23 PolarHBondContact OD1-N 3.4Å; D20-K23 VanDerWaalsContact OD2-CD 3.28Å; D20-K23 WeakPolarHBondContact OD2-CD 3.41Å; D20-K23 WeakPolarHBondContact OD2-CE 3.38Å; D20-K23 WeakPolarHBondContact OD2-CG 3.49Å; D20-K23 IonicContact OD2-NZ 2.84Å; D20-K23 PolarHBondContact OD2-NZ 3.22Å
24	M	89.4	Confident	83.8	Confident	93 Å²	93	74.8 Å²	74.8	46%	0.458	39%	0.387	S	S	.	.	S	Bend	trans	-102.8	131.4	-176.6	-72	-173.8	-100.8	0	0	112.2	V19 D20 W59	V19-M24 HydrophobicContact CB-CE 4Å; V19-M24 HydrophobicContact CG1-CB 4.01Å; V19-M24 HydrophobicContact CG1-CE 3.32Å; V19-M24 HydrophobicContact CG1-CG 4.33Å; V19-M24 HydrophobicContact CG1-SD 3.64Å; D20-M24 HydrophobicContact CB-CE 4.03Å; D20-M24 WeakPolarHBondContact O-CB 3.4Å; D20-M24 PolarHBondContact O-N 3.22Å; M24-W59 PolarHBondContact O-NE1 2.66Å
25	C	91.7	Very high	86	Confident	118 Å²	118	72.8 Å²	72.8	80%	0.797	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-65.5	130.1	174	-172.6	0	0	0	0	110.2
26	P	94.7	Very high	88	Confident	49 Å²	49	72.1 Å²	72.1	32%	0.318	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-65.9	147.7	176	28	-34.7	0	0	0	111.1	H57 T58 W59	P26-H57 HydrophobicContact CB-CB 4.17Å; P26-H57 HydrophobicContact CG-CB 4.31Å; P26-T58 CarbonylContact C-O 3.44Å; P26-T58 WeakPolarHBondContact CA-O 3.35Å; P26-W59 HydrophobicContact CB-CD2 4.3Å; P26-W59 HydrophobicContact CB-CH2 4.48Å; P26-W59 HydrophobicContact CB-CZ2 3.99Å; P26-W59 HydrophobicContact CG-CZ2 4.34Å
27	M	94.1	Very high	89.9	Confident	36 Å²	36	78 Å²	78	18%	0.177	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	148.7	170.7	60.1	174.4	-176.5	0	0	111	V29 H57 T58 L121 F126 V128	M27-V29 HydrophobicContact CE-CG2 3.9Å; M27-V29 HydrophobicContact CG-CG2 4.22Å; M27-V29 PolarHBondContact O-N 3.38Å; M27-V29 HydrophobicContact SD-CG2 4.45Å; M27-H57 WeakPolarHBondContact O-CA 3.34Å; M27-T58 WeakPolarHBondContact CG-O 3.48Å; M27-T58 PolarHBondContact N-O 2.67Å; M27-T58 PolarHBondContact O-N 3.43Å; M27-L121 HydrophobicContact CE-CB 4.46Å; M27-L121 HydrophobicContact CE-CD1 3.6Å; M27-F126 HydrophobicContact CE-CD1 3.76Å; M27-F126 HydrophobicContact CE-CE1 3.83Å; M27-F126 HydrophobicContact SD-CD1 4.14Å; M27-F126 HydrophobicContact SD-CE1 3.88Å; M27-V128 HydrophobicContact CB-CG2 4.16Å; M27-V128 HydrophobicContact SD-CG2 3.87Å
28	L	95.1	Very high	91.4	Very high	76 Å²	76	75.3 Å²	75.3	40%	0.398	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	118	170.3	178.2	64	0	0	0	109.6	R30 Q55	L28-R30 HydrophobicContact CG-CG 4.46Å; L28-Q55 HydrophobicContact CD1-CB 3.9Å; L28-Q55 HydrophobicContact CD1-CG 4.24Å
29	V	95.5	Very high	92.2	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.1	172.4	177.4	0	0	0	0	108.6	M27 I56 T58 L121 F126 I132	M27-V29 HydrophobicContact CE-CG2 3.9Å; M27-V29 HydrophobicContact CG-CG2 4.22Å; M27-V29 PolarHBondContact O-N 3.38Å; M27-V29 HydrophobicContact SD-CG2 4.45Å; V29-I56 PolarHBondContact N-O 3.29Å; V29-I56 PolarHBondContact O-N 2.9Å; V29-T58 HydrophobicContact CB-CG2 4.32Å; V29-T58 HydrophobicContact CG2-CG2 3.61Å; V29-L121 HydrophobicContact CG2-CD1 4.14Å; V29-F126 HydrophobicContact CG1-CZ 4.22Å; V29-F126 HydrophobicContact CG2-CE1 4.08Å; V29-F126 HydrophobicContact CG2-CZ 4.13Å; V29-I132 HydrophobicContact CG1-CD1 3.42Å; V29-I132 VanDerWaalsContact CG1-CD1 3.42Å; V29-I132 HydrophobicContact CG1-CG1 3.9Å
30	R	96	Very high	92.6	Very high	65 Å²	65	71.4 Å²	71.4	25%	0.245	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	116.3	176	-63.2	176.7	68.5	-155.5	-2	109	L28 F32 E53 Y131 I132	L28-R30 HydrophobicContact CG-CG 4.46Å; R30-F32 HydrophobicContact CB-CE2 4.29Å; R30-E53 IonicContact CZ-OE1 2.7Å; R30-E53 IonicContact CZ-OE2 2.81Å; R30-E53 IonicContact NE-OE1 3.11Å; R30-E53 PolarHBondContact NE-OE1 2.82Å; R30-E53 IonicContact NE-OE2 3.91Å; R30-E53 IonicContact NH2-OE1 2.65Å; R30-E53 PolarHBondContact NH2-OE1 2.81Å; R30-E53 IonicContact NH2-OE2 3.26Å; R30-E53 PolarHBondContact NH2-OE2 3.44Å; R30-Y131 HydrophobicContact CB-CD1 4.11Å; R30-Y131 VanDerWaalsContact NH1-CE1 3.29Å; R30-Y131 PolarHBondContact NH1-OH 3.38Å; R30-I132 PolarHBondContact O-N 3.23Å
31	L	95.5	Very high	92.7	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.8	-175.7	-167.3	140.8	0	0	0	109.5	T33 E53 L54 I56 L67 I71 I132 V134	L31-T33 HydrophobicContact CD2-CG2 3.39Å; L31-E53 CarbonylContact O-C 3.51Å; L31-E53 WeakPolarHBondContact O-CA 3.38Å; L31-L54 HydrophobicContact CB-CB 4.42Å; L31-L54 WeakPolarHBondContact CB-O 3.32Å; L31-L54 HydrophobicContact CD2-CB 4.45Å; L31-L54 PolarHBondContact N-O 3.45Å; L31-L54 PolarHBondContact O-N 3.16Å; L31-I56 HydrophobicContact CD1-CD1 4.29Å; L31-L67 HydrophobicContact CD1-CD2 4.49Å; L31-I71 HydrophobicContact CD1-CD1 4.21Å; L31-I71 HydrophobicContact CD2-CD1 4.01Å; L31-I71 HydrophobicContact CD2-CG1 4.12Å; L31-I132 CarbonylContact C-O 3.6Å; L31-I132 VanDerWaalsContact CA-O 3.24Å; L31-I132 WeakPolarHBondContact CA-O 2.91Å; L31-I132 HydrophobicContact CB-CB 4.41Å; L31-I132 HydrophobicContact CD1-CB 4.02Å; L31-I132 HydrophobicContact CD1-CG2 3.73Å; L31-I132 HydrophobicContact CG-CB 4.08Å; L31-I132 HydrophobicContact CG-CG2 4.07Å; L31-V134 HydrophobicContact CD1-CG2 3.75Å; L31-V134 HydrophobicContact CD2-CB 4.23Å; L31-V134 HydrophobicContact CD2-CG2 3.65Å; L31-V134 HydrophobicContact CG-CG2 3.74Å
32	F	96	Very high	92.7	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.4	178.7	-63.3	-82.7	0	0	0	108.7	R30 Y44 V49 P50 E53 Y131 I132 D133 V134	R30-F32 HydrophobicContact CB-CE2 4.29Å; F32-Y44 AromaticContact CD2-CE1 3.87Å; F32-Y44 HydrophobicContact CD2-CE1 3.87Å; F32-Y44 HydrophobicContact CE2-CE1 4.24Å; F32-Y44 HydrophobicContact CG-CE1 4.24Å; F32-V49 HydrophobicContact CE1-CB 3.61Å; F32-V49 HydrophobicContact CE1-CG1 4.38Å; F32-V49 HydrophobicContact CE1-CG2 3.82Å; F32-V49 HydrophobicContact CZ-CB 3.65Å; F32-V49 HydrophobicContact CZ-CG1 3.89Å; F32-V49 HydrophobicContact CZ-CG2 4.02Å; F32-P50 HydrophobicContact CB-CB 4.43Å; F32-P50 HydrophobicContact CB-CG 4.34Å; F32-P50 HydrophobicContact CD1-CB 3.93Å; F32-P50 HydrophobicContact CD1-CG 4.1Å; F32-P50 WeakPolarHBondContact CD1-O 3.46Å; F32-P50 WeakPolarHBondContact CE1-O 3.3Å; F32-P50 HydrophobicContact CG-CB 4.45Å; F32-P50 HydrophobicContact CG-CG 4.28Å; F32-E53 HydrophobicContact CD1-CB 4.02Å; F32-E53 HydrophobicContact CD1-CG 4.35Å; F32-E53 HydrophobicContact CE1-CB 3.67Å; F32-E53 HydrophobicContact CE1-CG 3.76Å; F32-E53 HydrophobicContact CZ-CB 4.47Å; F32-E53 HydrophobicContact CZ-CG 4.07Å; F32-Y131 HydrophobicContact CD2-CG 4.31Å; F32-Y131 HydrophobicContact CE2-CD1 4.06Å; F32-Y131 AromaticContact CE2-CD2 3.94Å; F32-Y131 HydrophobicContact CE2-CD2 3.94Å; F32-Y131 AromaticContact CE2-CG 3.63Å; F32-Y131 HydrophobicContact CE2-CG 3.63Å; F32-I132 PolarHBondContact N-O 3.26Å; F32-D133 CarbonylContact O-C 3.51Å; F32-D133 WeakPolarHBondContact O-CA 3.16Å; F32-V134 PolarHBondContact O-N 3.03Å
33	T	93.9	Very high	92.8	Very high	9 Å²	9	70.3 Å²	70.3	6%	0.055	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142	-176.2	59.5	0	0	0	0	111.6	L31 N52 I75 V134 I136	L31-T33 HydrophobicContact CD2-CG2 3.39Å; T33-N52 PolarHBondContact N-O 3.44Å; T33-N52 VanDerWaalsContact O-CB 3.25Å; T33-N52 WeakPolarHBondContact O-CB 3.46Å; T33-N52 PolarHBondContact O-ND2 2.83Å; T33-N52 PolarHBondContact OG1-O 3.23Å; T33-I75 HydrophobicContact CG2-CD1 3.56Å; T33-I75 VanDerWaalsContact OG1-CD1 3.23Å; T33-I75 WeakPolarHBondContact OG1-CD1 3.26Å; T33-V134 WeakPolarHBondContact CA-O 3.17Å; T33-V134 HydrophobicContact CG2-CB 4.39Å; T33-I136 HydrophobicContact CG2-CD1 4.31Å
34	C	92.7	Very high	92.9	Very high	25 Å²	25	62.8 Å²	62.8	17%	0.169	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.4	173.2	-169.4	0	0	0	0	109.5	R37 V134 I136	C34-R37 WeakPolarHBondContact CB-O 3.37Å; C34-V134 PolarHBondContact N-O 3.17Å; C34-I136 PolarHBondContact O-N 3.01Å
35	L	91.2	Very high	92.7	Very high	88 Å²	88	59.3 Å²	59.3	46%	0.461	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	139.8	176.4	-63.8	174.7	0	0	0	109	R37 E77 I136	L35-R37 PolarHBondContact O-N 3.47Å; L35-E77 HydrophobicContact CD2-CB 4.07Å; L35-E77 HydrophobicContact CD2-CG 4.46Å; L35-I136 HydrophobicContact CD2-CB 4.25Å; L35-I136 HydrophobicContact CD2-CG2 4.33Å
36	E	88.8	Confident	92.3	Very high	149 Å²	149	64.9 Å²	64.9	70%	0.696	30%	0.301	S	S	*	.	S	Bend	trans	67.9	-26.7	174.7	-50.9	-174.5	155.9	0	0	117.1	I136	E36-I136 PolarHBondContact N-O 3.13Å
37	R	92.6	Very high	91.8	Very high	177 Å²	177	68.7 Å²	68.7	67%	0.668	33%	0.329	S	S	*	.	S	Bend	trans	-149.4	168.2	-179.3	63.8	172.9	-176.4	-112.3	-0.7	112.6	C34 L35 A135	C34-R37 WeakPolarHBondContact CB-O 3.37Å; L35-R37 PolarHBondContact O-N 3.47Å; R37-A135 WeakPolarHBondContact O-CB 3.4Å
38	H	93.8	Very high	91.6	Very high	53 Å²	53	73.9 Å²	73.9	25%	0.245	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-68.3	152.2	168.4	-77.7	-72.1	0	0	0	111.1	S86 D133	H38-S86 PolarHBondContact CE1-O 3.26Å; H38-S86 WeakPolarHBondContact NE2-CB 3.29Å; H38-S86 PolarHBondContact NE2-OG 2.94Å; H38-S86 VanDerWaalsContact NE2-OG 3.15Å; H38-D133 WeakPolarHBondContact CA-OD2 3.44Å; H38-D133 WeakPolarHBondContact CB-OD2 3.33Å; H38-D133 IonicContact CE1-OD2 2.7Å; H38-D133 IonicContact CG-OD2 3.77Å; H38-D133 VanDerWaalsContact CG-OD2 3.26Å; H38-D133 IonicContact ND1-OD2 3.63Å; H38-D133 PolarHBondContact ND1-OD2 2.94Å
39	N	92.9	Very high	91.5	Very high	19 Å²	19	72.3 Å²	72.3	10%	0.102	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-62.6	147.2	174.1	-75.5	-65.5	0	0	0	110.2	M41 Y44 P50 D133	N39-M41 WeakPolarHBondContact O-CE 3.36Å; N39-Y44 HydrophobicContact CB-CE2 3.81Å; N39-P50 HydrophobicContact CB-CG 3.84Å; N39-D133 WeakPolarHBondContact CB-OD1 3.38Å; N39-D133 PolarHBondContact N-OD2 2.89Å; N39-D133 PolarHBondContact ND2-OD1 3.27Å
40	A	92.3	Very high	91.4	Very high	36 Å²	36	73 Å²	73	30%	0.298	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-70.3	140.2	-178.5	0	0	0	0	0	109.5	R42 D43	A40-R42 HydrophobicContact CB-CG 3.86Å; A40-R42 PolarHBondContact O-N 3.12Å; A40-D43 WeakPolarHBondContact CB-OD2 3.41Å; A40-D43 PolarHBondContact N-OD2 2.73Å; A40-D43 VanDerWaalsContact O-CB 3.31Å; A40-D43 WeakPolarHBondContact O-CB 3.32Å; A40-D43 PolarHBondContact O-N 3.34Å
41	M	90.9	Very high	91.1	Very high	72 Å²	72	78.2 Å²	78.2	36%	0.355	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-57.1	-30	-179.9	-69.1	-56.9	103.7	0	0	112.9	N39 D43 Y44 I90 S101	N39-M41 WeakPolarHBondContact O-CE 3.36Å; M41-D43 PolarHBondContact O-N 3.22Å; M41-Y44 HydrophobicContact CE-CD2 4.23Å; M41-Y44 HydrophobicContact CE-CE2 4.09Å; M41-Y44 PolarHBondContact O-N 3.13Å; M41-Y44 VanDerWaalsContact O-N 3.13Å; M41-I90 HydrophobicContact CE-CD1 3.67Å; M41-I90 HydrophobicContact SD-CD1 4.17Å; M41-S101 VanDerWaalsContact SD-CB 3.56Å
42	R	90.3	Very high	90.9	Very high	190 Å²	190	82.9 Å²	82.9	72%	0.717	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-60.9	-27.1	173.9	71.8	-174.1	-179.1	-176.3	-2.1	112.9	A40 Y44 R48	A40-R42 HydrophobicContact CB-CG 3.86Å; A40-R42 PolarHBondContact O-N 3.12Å; R42-Y44 PolarHBondContact O-N 3.38Å; R42-R48 PolarHBondContact O-NE 3.15Å; R42-R48 PolarHBondContact O-NH2 3.04Å
43	D	91.9	Very high	90.8	Very high	52 Å²	52	85.9 Å²	85.9	28%	0.278	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-74.5	-17.8	-178.7	-56.8	-27.7	0	0	0	111	A40 M41 R48 P50	A40-D43 WeakPolarHBondContact CB-OD2 3.41Å; A40-D43 PolarHBondContact N-OD2 2.73Å; A40-D43 VanDerWaalsContact O-CB 3.31Å; A40-D43 WeakPolarHBondContact O-CB 3.32Å; A40-D43 PolarHBondContact O-N 3.34Å; M41-D43 PolarHBondContact O-N 3.22Å; D43-R48 CarbonylContact O-C 3.55Å; D43-R48 WeakPolarHBondContact O-CG 3.23Å; D43-P50 HydrophobicContact CB-CG 4.19Å
44	Y	91.4	Very high	90.8	Very high	11 Å²	11	86.8 Å²	86.8	4%	0.043	42%	0.419	C	S	.	.			trans	-90.9	120.4	170.2	-59.6	-82.5	0	0	0	110.9	F32 N39 M41 R42 P50 I90 Y131 D133	F32-Y44 AromaticContact CD2-CE1 3.87Å; F32-Y44 HydrophobicContact CD2-CE1 3.87Å; F32-Y44 HydrophobicContact CE2-CE1 4.24Å; F32-Y44 HydrophobicContact CG-CE1 4.24Å; N39-Y44 HydrophobicContact CB-CE2 3.81Å; M41-Y44 HydrophobicContact CE-CD2 4.23Å; M41-Y44 HydrophobicContact CE-CE2 4.09Å; M41-Y44 PolarHBondContact O-N 3.13Å; M41-Y44 VanDerWaalsContact O-N 3.13Å; R42-Y44 PolarHBondContact O-N 3.38Å; Y44-P50 HydrophobicContact CE1-CG 3.9Å; Y44-P50 HydrophobicContact CE2-CG 4.24Å; Y44-I90 HydrophobicContact CD1-CG2 4.06Å; Y44-I90 HydrophobicContact CD2-CG2 4.15Å; Y44-I90 HydrophobicContact CE1-CG1 4.36Å; Y44-I90 HydrophobicContact CE1-CG2 4.31Å; Y44-I90 HydrophobicContact CE2-CG1 4.17Å; Y44-I90 HydrophobicContact CE2-CG2 4.4Å; Y44-I90 HydrophobicContact CG-CG2 3.97Å; Y44-Y131 AromaticContact CD1-CD2 3.87Å; Y44-Y131 HydrophobicContact CD1-CD2 3.87Å; Y44-Y131 HydrophobicContact CD1-CE2 4.35Å; Y44-Y131 HydrophobicContact CE1-CD2 4.05Å; Y44-D133 WeakPolarHBondContact OH-CB 3.37Å; Y44-D133 VanDerWaalsContact OH-CG 3.27Å; Y44-D133 PolarHBondContact OH-OD1 2.65Å
45	G	86.4	Confident	90.8	Very high	20 Å²	20	91 Å²	91	21%	0.206	44%	0.437	C	S	.	.	B	Isolated β-bridge	trans	-146.7	171.3	175.5	0	0	0	0	0	110.8	S47 R48	G45-S47 PolarHBondContact O-N 3.01Å; G45-R48 PolarHBondContact N-O 2.89Å; G45-R48 PolarHBondContact O-N 2.82Å; G45-R48 VanDerWaalsContact O-N 3.17Å
46	R	82	Confident	91	Very high	236 Å²	236	87.4 Å²	87.4	89%	0.891	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.3	-175.4	-170.7	174.2	-179.4	150.6	1.2	113.9
47	S	85	Confident	91.2	Very high	129 Å²	129	86.5 Å²	86.5	90%	0.902	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126	8.6	178	58	0	0	0	0	113.4	G45	G45-S47 PolarHBondContact O-N 3.01Å
48	R	90.2	Very high	91.3	Very high	144 Å²	144	78.4 Å²	78.4	54%	0.543	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-126.4	132.3	-176.2	-174.4	173.9	62.8	-155.9	-4.8	110.1	R42 D43 G45	R42-R48 PolarHBondContact O-NE 3.15Å; R42-R48 PolarHBondContact O-NH2 3.04Å; D43-R48 CarbonylContact O-C 3.55Å; D43-R48 WeakPolarHBondContact O-CG 3.23Å; G45-R48 PolarHBondContact N-O 2.89Å; G45-R48 PolarHBondContact O-N 2.82Å; G45-R48 VanDerWaalsContact O-N 3.17Å
49	V	92.6	Very high	91.3	Very high	44 Å²	44	78.3 Å²	78.3	27%	0.267	38%	0.381	S	S	.	.			trans	-137.9	159.8	172.8	-67.3	0	0	0	0	109.4	F32 Y131	F32-V49 HydrophobicContact CE1-CB 3.61Å; F32-V49 HydrophobicContact CE1-CG1 4.38Å; F32-V49 HydrophobicContact CE1-CG2 3.82Å; F32-V49 HydrophobicContact CZ-CB 3.65Å; F32-V49 HydrophobicContact CZ-CG1 3.89Å; F32-V49 HydrophobicContact CZ-CG2 4.02Å; V49-Y131 HydrophobicContact CG1-CE2 4.02Å
50	P	92.9	Very high	91.3	Very high	15 Å²	15	84.1 Å²	84.1	10%	0.097	40%	0.402	C	S	.	.			trans	-58.4	153.8	173.2	-22.9	33.1	0	0	0	112.8	F32 N39 D43 Y44	F32-P50 HydrophobicContact CB-CB 4.43Å; F32-P50 HydrophobicContact CB-CG 4.34Å; F32-P50 HydrophobicContact CD1-CB 3.93Å; F32-P50 HydrophobicContact CD1-CG 4.1Å; F32-P50 WeakPolarHBondContact CD1-O 3.46Å; F32-P50 WeakPolarHBondContact CE1-O 3.3Å; F32-P50 HydrophobicContact CG-CB 4.45Å; F32-P50 HydrophobicContact CG-CG 4.28Å; N39-P50 HydrophobicContact CB-CG 3.84Å; D43-P50 HydrophobicContact CB-CG 4.19Å; Y44-P50 HydrophobicContact CE1-CG 3.9Å; Y44-P50 HydrophobicContact CE2-CG 4.24Å
51	L	89.3	Confident	91.2	Very high	174 Å²	174	83.6 Å²	83.6	91%	0.911	39%	0.394	S	S	*	.	S	Bend	trans	-71.5	-31.9	-175.1	-66.6	173.3	0	0	0	113.9	E53	L51-E53 PolarHBondContact O-N 2.8Å
52	N	91.1	Very high	91.4	Very high	97 Å²	97	80.2 Å²	80.2	52%	0.519	38%	0.377	S	S	.	.			trans	-85	57.7	-172.9	-64.2	-21.2	0	0	0	112	T33	T33-N52 PolarHBondContact N-O 3.44Å; T33-N52 VanDerWaalsContact O-CB 3.25Å; T33-N52 WeakPolarHBondContact O-CB 3.46Å; T33-N52 PolarHBondContact O-ND2 2.83Å; T33-N52 PolarHBondContact OG1-O 3.23Å
53	E	93.9	Very high	91.6	Very high	63 Å²	63	71.7 Å²	71.7	29%	0.294	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	134.4	177.4	-171.9	173.6	156.4	0	0	111.4	R30 L31 F32 L51 Q55	R30-E53 IonicContact CZ-OE1 2.7Å; R30-E53 IonicContact CZ-OE2 2.81Å; R30-E53 IonicContact NE-OE1 3.11Å; R30-E53 PolarHBondContact NE-OE1 2.82Å; R30-E53 IonicContact NE-OE2 3.91Å; R30-E53 IonicContact NH2-OE1 2.65Å; R30-E53 PolarHBondContact NH2-OE1 2.81Å; R30-E53 IonicContact NH2-OE2 3.26Å; R30-E53 PolarHBondContact NH2-OE2 3.44Å; L31-E53 CarbonylContact O-C 3.51Å; L31-E53 WeakPolarHBondContact O-CA 3.38Å; F32-E53 HydrophobicContact CD1-CB 4.02Å; F32-E53 HydrophobicContact CD1-CG 4.35Å; F32-E53 HydrophobicContact CE1-CB 3.67Å; F32-E53 HydrophobicContact CE1-CG 3.76Å; F32-E53 HydrophobicContact CZ-CB 4.47Å; F32-E53 HydrophobicContact CZ-CG 4.07Å; L51-E53 PolarHBondContact O-N 2.8Å; E53-Q55 HydrophobicContact CG-CG 4.32Å; E53-Q55 WeakPolarHBondContact OE1-CG 3.45Å; E53-Q55 PolarHBondContact OE1-NE2 2.63Å
54	L	94.1	Very high	91.7	Very high	28 Å²	28	69.3 Å²	69.3	15%	0.147	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.5	169.7	178.9	58.4	0	0	0	108.5	L31 I56 I71 T74	L31-L54 HydrophobicContact CB-CB 4.42Å; L31-L54 WeakPolarHBondContact CB-O 3.32Å; L31-L54 HydrophobicContact CD2-CB 4.45Å; L31-L54 PolarHBondContact N-O 3.45Å; L31-L54 PolarHBondContact O-N 3.16Å; L54-I56 HydrophobicContact CD2-CD1 3.99Å; L54-I56 HydrophobicContact CD2-CG1 4.27Å; L54-I56 HydrophobicContact CG-CD1 4.2Å; L54-I56 HydrophobicContact CG-CG1 3.99Å; L54-I71 HydrophobicContact CD2-CG1 4.41Å; L54-T74 HydrophobicContact CD1-CG2 3.94Å; L54-T74 HydrophobicContact CD2-CG2 4.47Å
55	Q	94.5	Very high	91.8	Very high	114 Å²	114	72.8 Å²	72.8	53%	0.533	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.7	177.7	-71.8	-176.7	3.4	0	0	110.3	L28 E53	L28-Q55 HydrophobicContact CD1-CB 3.9Å; L28-Q55 HydrophobicContact CD1-CG 4.24Å; E53-Q55 HydrophobicContact CG-CG 4.32Å; E53-Q55 WeakPolarHBondContact OE1-CG 3.45Å; E53-Q55 PolarHBondContact OE1-NE2 2.63Å
56	I	94.2	Very high	92.1	Very high	13 Å²	13	74.3 Å²	74.3	7%	0.067	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.4	-176.2	-61.1	173.6	0	0	0	108.8	V29 L31 L54 T58 L67 L70	V29-I56 PolarHBondContact N-O 3.29Å; V29-I56 PolarHBondContact O-N 2.9Å; L31-I56 HydrophobicContact CD1-CD1 4.29Å; L54-I56 HydrophobicContact CD2-CD1 3.99Å; L54-I56 HydrophobicContact CD2-CG1 4.27Å; L54-I56 HydrophobicContact CG-CD1 4.2Å; L54-I56 HydrophobicContact CG-CG1 3.99Å; I56-T58 HydrophobicContact CG2-CG2 4.27Å; I56-L67 HydrophobicContact CD1-CD2 4.15Å; I56-L70 HydrophobicContact CD1-CB 4.19Å; I56-L70 HydrophobicContact CD1-CD1 3.95Å; I56-L70 HydrophobicContact CG1-CD1 4.35Å; I56-L70 HydrophobicContact CG2-CD1 3.5Å; I56-L70 VanDerWaalsContact CG2-CD1 3.5Å
57	H	94.1	Very high	92.7	Very high	130 Å²	130	63.1 Å²	63.1	60%	0.602	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	116.7	168	-61.5	101.3	0	0	0	108.7	P26 M27	P26-H57 HydrophobicContact CB-CB 4.17Å; P26-H57 HydrophobicContact CG-CB 4.31Å; M27-H57 WeakPolarHBondContact O-CA 3.34Å
58	T	94.3	Very high	93.1	Very high	6 Å²	6	57.6 Å²	57.6	4%	0.037	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-178	-178.4	-163.5	0	0	0	0	111.7	P26 M27 V29 I56 C62 L121	P26-T58 CarbonylContact C-O 3.44Å; P26-T58 WeakPolarHBondContact CA-O 3.35Å; M27-T58 WeakPolarHBondContact CG-O 3.48Å; M27-T58 PolarHBondContact N-O 2.67Å; M27-T58 PolarHBondContact O-N 3.43Å; V29-T58 HydrophobicContact CB-CG2 4.32Å; V29-T58 HydrophobicContact CG2-CG2 3.61Å; I56-T58 HydrophobicContact CG2-CG2 4.27Å; T58-C62 HydrophobicContact CG2-CB 3.91Å; T58-C62 WeakPolarHBondContact OG1-CB 3.48Å; T58-C62 PolarHBondContact OG1-SG 3.27Å; T58-L121 HydrophobicContact CG2-CD1 4.02Å
59	W	94.1	Very high	93.1	Very high	51 Å²	51	58 Å²	58	19%	0.193	27%	0.269	C	S	.	.			trans	-116.1	170.4	-179.2	-60.8	-94.3	0	0	0	111.4	V19 R21 M24 P26 D61 C62	V19-W59 HydrophobicContact CB-CB 4.25Å; V19-W59 HydrophobicContact CG1-CB 3.92Å; V19-W59 HydrophobicContact CG1-CG 3.88Å; V19-W59 HydrophobicContact CG2-CB 4.39Å; R21-W59 HydrophobicContact CB-CD2 4.1Å; R21-W59 HydrophobicContact CB-CE3 4.27Å; R21-W59 HydrophobicContact CB-CH2 3.85Å; R21-W59 HydrophobicContact CB-CZ2 3.63Å; R21-W59 HydrophobicContact CB-CZ3 4.17Å; R21-W59 VanDerWaalsContact CD-CE3 3.44Å; R21-W59 HydrophobicContact CG-CD2 3.6Å; R21-W59 HydrophobicContact CG-CE3 3.65Å; R21-W59 HydrophobicContact CG-CG 4.14Å; R21-W59 HydrophobicContact CG-CH2 4.14Å; R21-W59 HydrophobicContact CG-CZ2 4.08Å; R21-W59 HydrophobicContact CG-CZ3 3.94Å; R21-W59 WeakPolarHBondContact O-CZ2 3.5Å; M24-W59 PolarHBondContact O-NE1 2.66Å; P26-W59 HydrophobicContact CB-CD2 4.3Å; P26-W59 HydrophobicContact CB-CH2 4.48Å; P26-W59 HydrophobicContact CB-CZ2 3.99Å; P26-W59 HydrophobicContact CG-CZ2 4.34Å; W59-D61 WeakPolarHBondContact CB-OD1 3.42Å; W59-D61 PolarHBondContact O-N 3.39Å; W59-C62 WeakPolarHBondContact O-CB 3.35Å; W59-C62 PolarHBondContact O-N 3.47Å
60	R	91.2	Very high	93.1	Very high	142 Å²	142	58.6 Å²	58.6	54%	0.536	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.1	178.8	59.8	175.3	-84.7	176.7	-7.4	113.7	G16 V19 C62 L121 A122	G16-R60 PolarHBondContact O-NH2 3.06Å; V19-R60 HydrophobicContact CG2-CG 3.37Å; R60-C62 PolarHBondContact O-N 3.38Å; R60-L121 PolarHBondContact O-N 3.43Å; R60-A122 HydrophobicContact CB-CB 4.19Å; R60-A122 WeakPolarHBondContact O-CB 3.49Å; R60-A122 PolarHBondContact O-N 3.42Å
61	D	92.1	Very high	93.1	Very high	24 Å²	24	57.9 Å²	57.9	13%	0.128	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	3	176.2	70.5	-5.6	0	0	0	113.6	K17 V19 R21 W59 S63 T120	K17-D61 WeakPolarHBondContact O-CB 3.29Å; V19-D61 HydrophobicContact CB-CB 4.25Å; V19-D61 WeakPolarHBondContact CB-OD2 3.41Å; V19-D61 HydrophobicContact CG2-CB 3.88Å; V19-D61 PolarHBondContact N-OD2 2.87Å; R21-D61 IonicContact CZ-OD1 3.24Å; R21-D61 IonicContact NE-OD1 2.93Å; R21-D61 PolarHBondContact NE-OD1 2.84Å; R21-D61 IonicContact NE-OD2 3.68Å; R21-D61 IonicContact NH2-OD1 2.8Å; R21-D61 PolarHBondContact NH2-OD1 3.3Å; R21-D61 IonicContact NH2-OD2 3.77Å; W59-D61 WeakPolarHBondContact CB-OD1 3.42Å; W59-D61 PolarHBondContact O-N 3.39Å; D61-S63 PolarHBondContact O-N 3.23Å; D61-T120 WeakPolarHBondContact O-CG2 3.45Å
62	C	93.8	Very high	93.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.007	24%	0.243	C	C	.	.			trans	-65	124.3	179.5	-166.6	0	0	0	0	110.7	T58 W59 R60 E66 T120 L121	T58-C62 HydrophobicContact CG2-CB 3.91Å; T58-C62 WeakPolarHBondContact OG1-CB 3.48Å; T58-C62 PolarHBondContact OG1-SG 3.27Å; W59-C62 WeakPolarHBondContact O-CB 3.35Å; W59-C62 PolarHBondContact O-N 3.47Å; R60-C62 PolarHBondContact O-N 3.38Å; C62-E66 WeakPolarHBondContact CA-OE2 3.2Å; C62-E66 PolarHBondContact SG-OE2 2.97Å; C62-T120 CarbonylContact O-C 3.53Å; C62-T120 VanDerWaalsContact O-CA 3.29Å; C62-T120 WeakPolarHBondContact O-CA 3.44Å; C62-L121 HydrophobicContact CB-CD1 4.04Å; C62-L121 HydrophobicContact CB-CG 4.34Å; C62-L121 PolarHBondContact O-N 3.05Å
63	S	94.2	Very high	93.1	Very high	12 Å²	12	56.9 Å²	56.9	8%	0.084	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-85.6	157.9	-179.4	61.9	0	0	0	0	112.4	D61 R65 E66 L67 D117 K119	D61-S63 PolarHBondContact O-N 3.23Å; S63-R65 PolarHBondContact O-N 3.16Å; S63-E66 WeakPolarHBondContact O-CA 3.4Å; S63-E66 WeakPolarHBondContact O-CB 3.48Å; S63-E66 PolarHBondContact O-N 3.16Å; S63-E66 WeakPolarHBondContact OG-CG 3.37Å; S63-E66 PolarHBondContact OG-N 3.22Å; S63-L67 PolarHBondContact O-N 3.03Å; S63-D117 WeakPolarHBondContact CB-O 3.17Å; S63-K119 CarbonylContact C-O 3.59Å; S63-K119 VanDerWaalsContact CA-O 3.29Å; S63-K119 WeakPolarHBondContact CA-O 3.05Å
64	L	94.3	Very high	92.9	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-32.9	172.9	-60.7	-170.5	0	0	0	111.8	L67 T68 F87 I104 T107 D116 K119	L64-L67 HydrophobicContact CD2-CD1 4.13Å; L64-L67 PolarHBondContact O-N 2.86Å; L64-T68 WeakPolarHBondContact O-CB 3.38Å; L64-T68 PolarHBondContact O-N 3.29Å; L64-T68 PolarHBondContact O-OG1 3.07Å; L64-F87 HydrophobicContact CB-CD2 4.38Å; L64-F87 HydrophobicContact CB-CE2 4.31Å; L64-F87 HydrophobicContact CD1-CD2 4.14Å; L64-F87 HydrophobicContact CD1-CG 4.5Å; L64-F87 HydrophobicContact CD2-CB 4.21Å; L64-F87 HydrophobicContact CD2-CD1 4.24Å; L64-F87 HydrophobicContact CD2-CD2 4.24Å; L64-F87 HydrophobicContact CD2-CG 3.98Å; L64-F87 HydrophobicContact CG-CD2 4.5Å; L64-I104 HydrophobicContact CD1-CG1 4.46Å; L64-I104 HydrophobicContact CD2-CD1 3.63Å; L64-I104 HydrophobicContact CD2-CG1 4.35Å; L64-T107 HydrophobicContact CB-CG2 3.65Å; L64-D116 HydrophobicContact CD1-CB 4.24Å; L64-K119 HydrophobicContact CD1-CB 4.3Å; L64-K119 HydrophobicContact CG-CB 4.31Å; L64-K119 PolarHBondContact N-O 2.88Å
65	R	93.3	Very high	92.6	Very high	83 Å²	83	57.5 Å²	57.5	31%	0.313	26%	0.258	S	S	.	.	H	α-helix	trans	-61.8	-41.1	172.1	-178.5	172.3	63.3	-143.8	-10.3	112.5	S63 T68 R69 D117 D118	S63-R65 PolarHBondContact O-N 3.16Å; R65-T68 PolarHBondContact O-N 2.82Å; R65-R69 WeakPolarHBondContact O-CG 3.32Å; R65-R69 PolarHBondContact O-N 3.27Å; R65-D117 HydrophobicContact CB-CB 4.18Å; R65-D117 VanDerWaalsContact CB-O 3.29Å; R65-D117 WeakPolarHBondContact CB-O 3.28Å; R65-D117 PolarHBondContact N-O 2.8Å; R65-D117 VanDerWaalsContact N-O 3.16Å; R65-D118 IonicContact CZ-OD1 3.29Å; R65-D118 VanDerWaalsContact CZ-OD1 3.24Å; R65-D118 IonicContact NH1-OD1 3.06Å; R65-D118 PolarHBondContact NH1-OD1 2.91Å; R65-D118 IonicContact NH2-OD1 3.63Å; R65-D118 PolarHBondContact NH2-OD1 2.67Å
66	E	93.4	Very high	92.2	Very high	53 Å²	53	55.5 Å²	55.5	25%	0.248	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-46.1	175.1	-76	-174.9	163.2	0	0	111.7	R21 C62 S63 T68 R69 L70	R21-E66 IonicContact CZ-OE1 3.63Å; R21-E66 IonicContact CZ-OE2 2.75Å; R21-E66 IonicContact NH1-OE1 3.48Å; R21-E66 PolarHBondContact NH1-OE1 2.93Å; R21-E66 IonicContact NH1-OE2 2.79Å; R21-E66 IonicContact NH2-OE1 3.59Å; R21-E66 PolarHBondContact NH2-OE1 3.37Å; R21-E66 IonicContact NH2-OE2 3.64Å; R21-E66 PolarHBondContact NH2-OE2 3.24Å; C62-E66 WeakPolarHBondContact CA-OE2 3.2Å; C62-E66 PolarHBondContact SG-OE2 2.97Å; S63-E66 WeakPolarHBondContact O-CA 3.4Å; S63-E66 WeakPolarHBondContact O-CB 3.48Å; S63-E66 PolarHBondContact O-N 3.16Å; S63-E66 WeakPolarHBondContact OG-CG 3.37Å; S63-E66 PolarHBondContact OG-N 3.22Å; E66-T68 VanDerWaalsContact C-N 3.31Å; E66-T68 PolarHBondContact O-N 3.18Å; E66-R69 WeakPolarHBondContact O-CB 3.28Å; E66-R69 PolarHBondContact O-N 3.05Å; E66-R69 VanDerWaalsContact O-N 3.15Å; E66-L70 PolarHBondContact O-N 2.98Å; E66-L70 VanDerWaalsContact O-N 3.12Å
67	L	93.7	Very high	91.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.4	-43.9	175	-66.7	178.1	0	0	0	111.6	L31 I56 S63 L64 R69 L70 I71 F87 L121 I132	L31-L67 HydrophobicContact CD1-CD2 4.49Å; I56-L67 HydrophobicContact CD1-CD2 4.15Å; S63-L67 PolarHBondContact O-N 3.03Å; L64-L67 HydrophobicContact CD2-CD1 4.13Å; L64-L67 PolarHBondContact O-N 2.86Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 2.97Å; L67-L70 WeakPolarHBondContact O-CB 3.46Å; L67-L70 PolarHBondContact O-N 3.49Å; L67-L70 VanDerWaalsContact O-N 3.13Å; L67-I71 WeakPolarHBondContact O-CG1 3.33Å; L67-I71 PolarHBondContact O-N 2.75Å; L67-F87 HydrophobicContact CB-CE1 3.8Å; L67-F87 HydrophobicContact CB-CZ 4.26Å; L67-F87 HydrophobicContact CD1-CD1 4.32Å; L67-F87 HydrophobicContact CD1-CE1 4.22Å; L67-L121 HydrophobicContact CD1-CD2 4.17Å; L67-I132 HydrophobicContact CD1-CD1 3.95Å
68	T	93	Very high	91.3	Very high	13 Å²	13	53.4 Å²	53.4	8%	0.08	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-41.5	176.6	-53.9	0	0	0	0	111.8	L64 R65 E66 L70 I71 K72 F87 T107 I109	L64-T68 WeakPolarHBondContact O-CB 3.38Å; L64-T68 PolarHBondContact O-N 3.29Å; L64-T68 PolarHBondContact O-OG1 3.07Å; R65-T68 PolarHBondContact O-N 2.82Å; E66-T68 VanDerWaalsContact C-N 3.31Å; E66-T68 PolarHBondContact O-N 3.18Å; T68-L70 VanDerWaalsContact C-N 3.3Å; T68-L70 PolarHBondContact O-N 3.24Å; T68-I71 PolarHBondContact O-N 2.98Å; T68-K72 WeakPolarHBondContact O-CB 3.42Å; T68-K72 PolarHBondContact O-N 2.9Å; T68-F87 VanDerWaalsContact OG1-CZ 3.3Å; T68-F87 WeakPolarHBondContact OG1-CZ 3.2Å; T68-T107 WeakPolarHBondContact CG2-OG1 3.28Å; T68-T107 PolarHBondContact OG1-OG1 2.84Å; T68-I109 HydrophobicContact CG2-CD1 3.95Å; T68-I109 HydrophobicContact CG2-CG1 3.63Å
69	R	92.2	Very high	91	Very high	154 Å²	154	59.3 Å²	59.3	58%	0.581	27%	0.266	S	S	*	.	H	α-helix	trans	-63.3	-36.1	176.7	-74.3	171.6	-179.9	179.2	0.6	112	R65 E66 L67 K73	R65-R69 WeakPolarHBondContact O-CG 3.32Å; R65-R69 PolarHBondContact O-N 3.27Å; E66-R69 WeakPolarHBondContact O-CB 3.28Å; E66-R69 PolarHBondContact O-N 3.05Å; E66-R69 VanDerWaalsContact O-N 3.15Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 2.97Å; R69-K73 PolarHBondContact O-N 2.88Å
70	L	91.9	Very high	90.7	Very high	56 Å²	56	63.3 Å²	63.3	29%	0.293	29%	0.285	S	S	.	.	H	α-helix	trans	-70.4	-46.4	176.4	-66.5	171.4	0	0	0	111.3	I56 E66 L67 T68 K72 K73 T74	I56-L70 HydrophobicContact CD1-CB 4.19Å; I56-L70 HydrophobicContact CD1-CD1 3.95Å; I56-L70 HydrophobicContact CG1-CD1 4.35Å; I56-L70 HydrophobicContact CG2-CD1 3.5Å; I56-L70 VanDerWaalsContact CG2-CD1 3.5Å; E66-L70 PolarHBondContact O-N 2.98Å; E66-L70 VanDerWaalsContact O-N 3.12Å; L67-L70 WeakPolarHBondContact O-CB 3.46Å; L67-L70 PolarHBondContact O-N 3.49Å; L67-L70 VanDerWaalsContact O-N 3.13Å; T68-L70 VanDerWaalsContact C-N 3.3Å; T68-L70 PolarHBondContact O-N 3.24Å; L70-K72 VanDerWaalsContact C-N 3.26Å; L70-K72 PolarHBondContact O-N 2.85Å; L70-K73 WeakPolarHBondContact O-CB 3.25Å; L70-K73 PolarHBondContact O-N 2.87Å; L70-T74 PolarHBondContact O-N 2.97Å; L70-T74 PolarHBondContact O-OG1 2.78Å
71	I	91.9	Very high	90.6	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-56.9	-42.3	175.7	-68.2	162.4	0	0	0	110.9	L31 L54 L67 T68 K73 T74 I75 F87 V134 I136	L31-I71 HydrophobicContact CD1-CD1 4.21Å; L31-I71 HydrophobicContact CD2-CD1 4.01Å; L31-I71 HydrophobicContact CD2-CG1 4.12Å; L54-I71 HydrophobicContact CD2-CG1 4.41Å; L67-I71 WeakPolarHBondContact O-CG1 3.33Å; L67-I71 PolarHBondContact O-N 2.75Å; T68-I71 PolarHBondContact O-N 2.98Å; I71-K73 PolarHBondContact O-N 2.92Å; I71-T74 PolarHBondContact O-N 2.94Å; I71-T74 VanDerWaalsContact O-N 3.16Å; I71-I75 HydrophobicContact CG2-CD1 4.3Å; I71-I75 PolarHBondContact O-N 3.21Å; I71-F87 HydrophobicContact CD1-CE1 3.8Å; I71-F87 HydrophobicContact CD1-CZ 4.1Å; I71-V134 HydrophobicContact CD1-CB 4.34Å; I71-V134 HydrophobicContact CD1-CG1 3.97Å; I71-V134 HydrophobicContact CD1-CG2 4.03Å; I71-I136 HydrophobicContact CG2-CD1 3.81Å; I71-I136 HydrophobicContact CG2-CG1 4.5Å
72	K	91	Very high	90.4	Very high	97 Å²	97	67 Å²	67	42%	0.422	31%	0.306	S	S	.	.	H	α-helix	trans	-58.2	-32.3	176.6	-171.7	-179.2	175.6	-177.5	0	113.8	T68 L70 S78 R79	T68-K72 WeakPolarHBondContact O-CB 3.42Å; T68-K72 PolarHBondContact O-N 2.9Å; L70-K72 VanDerWaalsContact C-N 3.26Å; L70-K72 PolarHBondContact O-N 2.85Å; K72-S78 WeakPolarHBondContact CA-OG 3.24Å; K72-R79 HydrophobicContact CG-CG 3.81Å; K72-R79 PolarHBondContact O-NE 2.75Å
73	K	90	Very high	90.3	Very high	152 Å²	152	67 Å²	67	66%	0.661	31%	0.306	S	S	*	.	H	α-helix	trans	-72.5	-45.6	177.6	-69.4	176.5	-179.3	-177.7	0	110.4	R69 L70 I71 R79	R69-K73 PolarHBondContact O-N 2.88Å; L70-K73 WeakPolarHBondContact O-CB 3.25Å; L70-K73 PolarHBondContact O-N 2.87Å; I71-K73 PolarHBondContact O-N 2.92Å; K73-R79 PolarHBondContact O-NH2 2.72Å
74	T	89	Confident	90.2	Very high	81 Å²	81	68.6 Å²	68.6	50%	0.497	32%	0.316	S	S	.	.	H	α-helix	trans	-79	-40.5	-173.7	-47.3	0	0	0	0	113.7	L54 L70 I71 P76	L54-T74 HydrophobicContact CD1-CG2 3.94Å; L54-T74 HydrophobicContact CD2-CG2 4.47Å; L70-T74 PolarHBondContact O-N 2.97Å; L70-T74 PolarHBondContact O-OG1 2.78Å; I71-T74 PolarHBondContact O-N 2.94Å; I71-T74 VanDerWaalsContact O-N 3.16Å; T74-P76 WeakPolarHBondContact O-CD 3.48Å
75	I	88.5	Confident	90.2	Very high	23 Å²	23	68.5 Å²	68.5	12%	0.118	32%	0.315	C	S	.	.			trans	-112.7	104.3	-171.2	-59	-179.9	0	0	0	109.7	T33 I71 E77 S78 I136	T33-I75 HydrophobicContact CG2-CD1 3.56Å; T33-I75 VanDerWaalsContact OG1-CD1 3.23Å; T33-I75 WeakPolarHBondContact OG1-CD1 3.26Å; I71-I75 HydrophobicContact CG2-CD1 4.3Å; I71-I75 PolarHBondContact O-N 3.21Å; I75-E77 VanDerWaalsContact C-N 3.25Å; I75-E77 HydrophobicContact CG2-CB 4.15Å; I75-E77 WeakPolarHBondContact CG2-OE2 3.44Å; I75-E77 PolarHBondContact O-N 2.97Å; I75-S78 PolarHBondContact O-N 2.95Å; I75-S78 PolarHBondContact O-OG 3.19Å; I75-I136 HydrophobicContact CB-CD1 4.5Å; I75-I136 HydrophobicContact CD1-CD1 3.73Å; I75-I136 HydrophobicContact CG2-CD1 4.11Å
76	P	87	Confident	90.2	Very high	73 Å²	73	65.9 Å²	65.9	47%	0.474	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-57.4	-34.2	-178.4	-25.6	35.1	0	0	0	114.3	T74 S78 R79	T74-P76 WeakPolarHBondContact O-CD 3.48Å; P76-S78 PolarHBondContact O-N 3.29Å; P76-R79 VanDerWaalsContact O-CB 3.28Å; P76-R79 WeakPolarHBondContact O-CB 3.41Å; P76-R79 VanDerWaalsContact O-CG 3.32Å; P76-R79 WeakPolarHBondContact O-CG 3.44Å; P76-R79 PolarHBondContact O-N 2.95Å
77	E	83.5	Confident	90.4	Very high	99 Å²	99	63.4 Å²	63.4	46%	0.463	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-60.5	-32.5	-177.9	-65.7	73.8	-164.5	0	0	111.9	L35 I75 R79	L35-E77 HydrophobicContact CD2-CB 4.07Å; L35-E77 HydrophobicContact CD2-CG 4.46Å; I75-E77 VanDerWaalsContact C-N 3.25Å; I75-E77 HydrophobicContact CG2-CB 4.15Å; I75-E77 WeakPolarHBondContact CG2-OE2 3.44Å; I75-E77 PolarHBondContact O-N 2.97Å; E77-R79 PolarHBondContact O-N 3.06Å
78	S	85.6	Confident	90.5	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-71.9	-13.7	178.7	70.5	0	0	0	0	113.4	K72 I75 P76 K80 I109	K72-S78 WeakPolarHBondContact CA-OG 3.24Å; I75-S78 PolarHBondContact O-N 2.95Å; I75-S78 PolarHBondContact O-OG 3.19Å; P76-S78 PolarHBondContact O-N 3.29Å; S78-K80 PolarHBondContact O-N 2.99Å; S78-K80 VanDerWaalsContact O-N 3.17Å; S78-I109 WeakPolarHBondContact O-CD1 3.48Å
79	R	87.7	Confident	90.7	Very high	129 Å²	129	62.8 Å²	62.8	49%	0.487	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-70.8	-15	-171.9	-63.9	176.6	-179.6	173.3	5.1	114.3	K72 K73 P76 E77 R81	K72-R79 HydrophobicContact CG-CG 3.81Å; K72-R79 PolarHBondContact O-NE 2.75Å; K73-R79 PolarHBondContact O-NH2 2.72Å; P76-R79 VanDerWaalsContact O-CB 3.28Å; P76-R79 WeakPolarHBondContact O-CB 3.41Å; P76-R79 VanDerWaalsContact O-CG 3.32Å; P76-R79 WeakPolarHBondContact O-CG 3.44Å; P76-R79 PolarHBondContact O-N 2.95Å; E77-R79 PolarHBondContact O-N 3.06Å; R79-R81 PolarHBondContact O-N 3.32Å
80	K	87.9	Confident	90.8	Very high	135 Å²	135	55.5 Å²	55.5	59%	0.587	27%	0.267	S	S	*	.	S	Bend	trans	-63.8	130.9	-178.8	-66.6	-178.3	-179	177.7	0	110.2	S78 G82 T83	S78-K80 PolarHBondContact O-N 2.99Å; S78-K80 VanDerWaalsContact O-N 3.17Å; K80-G82 PolarHBondContact O-N 2.79Å; K80-T83 WeakPolarHBondContact O-CB 3.46Å; K80-T83 PolarHBondContact O-N 2.84Å; K80-T83 VanDerWaalsContact O-N 3.17Å; K80-T83 PolarHBondContact O-OG1 2.84Å
81	R	88.5	Confident	90.9	Very high	215 Å²	215	54 Å²	54	81%	0.811	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	133.9	175	-68.4	-172.7	177.8	-154.9	0.8	109.7	R79 I109 P139	R79-R81 PolarHBondContact O-N 3.32Å; R81-I109 CarbonylContact C-O 3.58Å; R81-I109 WeakPolarHBondContact CA-O 3.29Å; R81-P139 WeakPolarHBondContact O-CG 3.49Å
82	G	88.7	Confident	90.9	Very high	29 Å²	29	56.6 Å²	56.6	30%	0.299	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	2.2	-174.2	0	0	0	0	0	114.3	K80 T84 I109 P139	K80-G82 PolarHBondContact O-N 2.79Å; G82-T84 PolarHBondContact O-N 2.82Å; G82-I109 PolarHBondContact N-O 3.48Å; G82-P139 WeakPolarHBondContact O-CB 3.49Å
83	T	91.6	Very high	90.7	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.263	C	S	.	.			trans	-70.5	126.6	173	-55.6	0	0	0	0	109.3	K80 I109 I136 V137	K80-T83 WeakPolarHBondContact O-CB 3.46Å; K80-T83 PolarHBondContact O-N 2.84Å; K80-T83 VanDerWaalsContact O-N 3.17Å; K80-T83 PolarHBondContact O-OG1 2.84Å; T83-I109 HydrophobicContact CG2-CD1 4.5Å; T83-I109 PolarHBondContact O-N 3.02Å; T83-I136 HydrophobicContact CG2-CG2 3.56Å; T83-V137 CarbonylContact C-O 3.54Å; T83-V137 WeakPolarHBondContact CA-O 3.4Å; T83-V137 WeakPolarHBondContact CG2-O 3.3Å
84	T	92.5	Very high	90.3	Very high	47 Å²	47	52.7 Å²	52.7	29%	0.288	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.5	174.9	-55.9	0	0	0	0	109.5	G82 T107 V108 V137	G82-T84 PolarHBondContact O-N 2.82Å; T84-T107 CarbonylContact C-O 3.54Å; T84-T107 WeakPolarHBondContact CA-O 3.49Å; T84-V108 HydrophobicContact CG2-CG2 4.46Å; T84-V137 PolarHBondContact N-O 3.26Å; T84-V137 PolarHBondContact O-N 2.7Å
85	C	93.2	Very high	90	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	108.5	168.8	-66.3	0	0	0	0	108.1	F87 S106 T107 V134 A135	C85-F87 HydrophobicContact CB-CE2 3.66Å; C85-F87 HydrophobicContact CB-CZ 3.88Å; C85-F87 WeakPolarHBondContact O-CD2 3.39Å; C85-F87 VanDerWaalsContact O-CE2 3.28Å; C85-F87 WeakPolarHBondContact O-CE2 3.4Å; C85-S106 CarbonylContact O-C 3.59Å; C85-S106 WeakPolarHBondContact O-CA 3.1Å; C85-T107 PolarHBondContact N-O 2.84Å; C85-T107 PolarHBondContact O-N 2.86Å; C85-V134 HydrophobicContact CB-CG1 4.12Å; C85-A135 CarbonylContact C-O 3.53Å; C85-A135 WeakPolarHBondContact CA-O 3.21Å
86	S	94.4	Very high	89.7	Confident	28 Å²	28	61.8 Å²	61.8	20%	0.196	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.8	173.8	-169.1	0	0	0	0	109.3	H38 V134 A135	H38-S86 PolarHBondContact CE1-O 3.26Å; H38-S86 WeakPolarHBondContact NE2-CB 3.29Å; H38-S86 PolarHBondContact NE2-OG 2.94Å; H38-S86 VanDerWaalsContact NE2-OG 3.15Å; S86-V134 CarbonylContact O-C 3.54Å; S86-V134 VanDerWaalsContact O-CA 3.26Å; S86-V134 WeakPolarHBondContact O-CA 3.36Å; S86-A135 PolarHBondContact N-O 2.8Å; S86-A135 PolarHBondContact O-N 2.88Å
87	F	96	Very high	89.5	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.2	-176.1	-62.9	-96.2	0	0	0	110.3	L64 L67 T68 I71 C85 I104 G105 T107 I132 V134	L64-F87 HydrophobicContact CB-CD2 4.38Å; L64-F87 HydrophobicContact CB-CE2 4.31Å; L64-F87 HydrophobicContact CD1-CD2 4.14Å; L64-F87 HydrophobicContact CD1-CG 4.5Å; L64-F87 HydrophobicContact CD2-CB 4.21Å; L64-F87 HydrophobicContact CD2-CD1 4.24Å; L64-F87 HydrophobicContact CD2-CD2 4.24Å; L64-F87 HydrophobicContact CD2-CG 3.98Å; L64-F87 HydrophobicContact CG-CD2 4.5Å; L67-F87 HydrophobicContact CB-CE1 3.8Å; L67-F87 HydrophobicContact CB-CZ 4.26Å; L67-F87 HydrophobicContact CD1-CD1 4.32Å; L67-F87 HydrophobicContact CD1-CE1 4.22Å; T68-F87 VanDerWaalsContact OG1-CZ 3.3Å; T68-F87 WeakPolarHBondContact OG1-CZ 3.2Å; I71-F87 HydrophobicContact CD1-CE1 3.8Å; I71-F87 HydrophobicContact CD1-CZ 4.1Å; C85-F87 HydrophobicContact CB-CE2 3.66Å; C85-F87 HydrophobicContact CB-CZ 3.88Å; C85-F87 WeakPolarHBondContact O-CD2 3.39Å; C85-F87 VanDerWaalsContact O-CE2 3.28Å; C85-F87 WeakPolarHBondContact O-CE2 3.4Å; F87-I104 HydrophobicContact CB-CD1 3.76Å; F87-I104 HydrophobicContact CB-CG1 3.56Å; F87-I104 WeakPolarHBondContact O-CG1 3.18Å; F87-I104 PolarHBondContact O-N 2.96Å; F87-G105 PolarHBondContact N-O 2.7Å; F87-T107 HydrophobicContact CE2-CG2 3.89Å; F87-I132 HydrophobicContact CD1-CG2 4.17Å; F87-V134 HydrophobicContact CD1-CG1 4.3Å; F87-V134 HydrophobicContact CD1-CG2 3.46Å; F87-V134 VanDerWaalsContact CD1-CG2 3.46Å; F87-V134 HydrophobicContact CE1-CG1 4.12Å; F87-V134 HydrophobicContact CE1-CG2 3.65Å; F87-V134 HydrophobicContact CG-CG2 4.34Å; F87-V134 HydrophobicContact CZ-CG1 4.38Å
88	A	96.6	Very high	89.7	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.8	172.2	0	0	0	0	0	110.5	R102 I132 D133	A88-R102 CarbonylContact C-O 3.53Å; A88-R102 WeakPolarHBondContact CA-O 3.12Å; A88-I132 CarbonylContact O-C 3.53Å; A88-I132 WeakPolarHBondContact O-CA 3.48Å; A88-D133 PolarHBondContact N-O 3.03Å; A88-D133 PolarHBondContact O-N 3.17Å
89	I	96.6	Very high	89.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.4	169.9	-67.6	174.8	0	0	0	108.3	S101 R102 I104 A124 F126 D130 Y131	I89-S101 CarbonylContact O-C 3.55Å; I89-S101 WeakPolarHBondContact O-CA 3.4Å; I89-R102 PolarHBondContact N-O 3.15Å; I89-R102 PolarHBondContact O-N 3.38Å; I89-I104 HydrophobicContact CB-CG2 4.39Å; I89-I104 HydrophobicContact CD1-CD1 4.49Å; I89-I104 HydrophobicContact CD1-CG2 3.67Å; I89-I104 HydrophobicContact CG1-CD1 4.21Å; I89-I104 HydrophobicContact CG1-CG2 3.73Å; I89-A124 HydrophobicContact CD1-CB 3.84Å; I89-F126 HydrophobicContact CD1-CB 3.98Å; I89-F126 HydrophobicContact CD1-CD2 4.19Å; I89-F126 HydrophobicContact CG1-CD2 4.3Å; I89-D130 HydrophobicContact CG2-CB 3.86Å; I89-Y131 CarbonylContact C-O 3.57Å; I89-Y131 WeakPolarHBondContact CA-O 3.43Å
90	I	95.5	Very high	90.1	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	105.9	174	-48.5	-54.8	0	0	0	107.9	M41 Y44 F99 R100 S101 Y131 D133	M41-I90 HydrophobicContact CE-CD1 3.67Å; M41-I90 HydrophobicContact SD-CD1 4.17Å; Y44-I90 HydrophobicContact CD1-CG2 4.06Å; Y44-I90 HydrophobicContact CD2-CG2 4.15Å; Y44-I90 HydrophobicContact CE1-CG1 4.36Å; Y44-I90 HydrophobicContact CE1-CG2 4.31Å; Y44-I90 HydrophobicContact CE2-CG1 4.17Å; Y44-I90 HydrophobicContact CE2-CG2 4.4Å; Y44-I90 HydrophobicContact CG-CG2 3.97Å; I90-F99 HydrophobicContact CG2-CB 3.77Å; I90-F99 HydrophobicContact CG2-CD1 3.82Å; I90-F99 HydrophobicContact CG2-CG 4.15Å; I90-R100 WeakPolarHBondContact CA-O 3.39Å; I90-S101 VanDerWaalsContact CD1-CB 3.49Å; I90-S101 WeakPolarHBondContact CD1-OG 3.46Å; I90-Y131 PolarHBondContact N-O 2.79Å; I90-Y131 PolarHBondContact O-N 2.76Å; I90-D133 HydrophobicContact CD1-CB 4.03Å; I90-D133 HydrophobicContact CG1-CB 3.73Å
91	S	93.3	Very high	90.4	Very high	24 Å²	24	63.7 Å²	63.7	17%	0.168	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.1	-178.7	-62.1	0	0	0	0	110.6	F99 R100 D130	S91-F99 WeakPolarHBondContact O-CA 3.42Å; S91-R100 PolarHBondContact N-O 3.47Å; S91-R100 PolarHBondContact O-N 3.31Å; S91-D130 WeakPolarHBondContact CA-OD1 3.44Å; S91-D130 WeakPolarHBondContact CB-OD1 3.45Å; S91-D130 VanDerWaalsContact OG-CG 3.24Å; S91-D130 PolarHBondContact OG-OD1 2.94Å
92	P	91.5	Very high	90.7	Very high	55 Å²	55	58.2 Å²	58.2	36%	0.357	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	133	166.7	28.5	-32	0	0	0	109.8	F99	P92-F99 HydrophobicContact CB-CD1 4.19Å; P92-F99 HydrophobicContact CB-CE1 3.83Å; P92-F99 HydrophobicContact CB-CZ 4.33Å; P92-F99 HydrophobicContact CG-CE1 4.48Å
93	D	87.5	Confident	91	Very high	21 Å²	21	62 Å²	62	11%	0.112	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	99.4	166.2	-171.8	-9.9	0	0	0	108.9	R95 A96 M97 V98 R100	D93-R95 PolarHBondContact O-N 2.81Å; D93-R95 VanDerWaalsContact O-N 3.13Å; D93-R95 WeakPolarHBondContact OD1-CB 3.41Å; D93-R95 PolarHBondContact OD1-N 2.81Å; D93-R95 VanDerWaalsContact OD1-N 3.1Å; D93-A96 HydrophobicContact CB-CB 4.37Å; D93-A96 PolarHBondContact O-N 3.49Å; D93-M97 WeakPolarHBondContact O-CA 3.21Å; D93-M97 PolarHBondContact O-N 2.78Å; D93-V98 WeakPolarHBondContact CA-O 3.45Å; D93-V98 HydrophobicContact CB-CG2 4.37Å; D93-V98 VanDerWaalsContact CB-O 3.3Å; D93-V98 WeakPolarHBondContact CB-O 3.46Å; D93-V98 PolarHBondContact N-O 3.04Å; D93-R100 HydrophobicContact CB-CG 4.42Å; D93-R100 VanDerWaalsContact CG-CZ 3.49Å; D93-R100 IonicContact OD1-NH2 3.78Å; D93-R100 IonicContact OD2-CZ 3.51Å; D93-R100 IonicContact OD2-NE 3.85Å; D93-R100 IonicContact OD2-NH1 2.86Å; D93-R100 PolarHBondContact OD2-NH1 3.1Å; D93-R100 IonicContact OD2-NH2 3.26Å; D93-R100 PolarHBondContact OD2-NH2 3.05Å
94	D	80.5	Confident	91.1	Very high	147 Å²	147	62.8 Å²	62.8	79%	0.786	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.9	-179.1	-66.6	-32.7	0	0	0	112.9
95	R	84.3	Confident	91.1	Very high	240 Å²	240	60.8 Å²	60.8	91%	0.906	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-40.2	-177.9	-62.6	-176.1	-179.8	-162	-0.3	112.1	D93	D93-R95 PolarHBondContact O-N 2.81Å; D93-R95 VanDerWaalsContact O-N 3.13Å; D93-R95 WeakPolarHBondContact OD1-CB 3.41Å; D93-R95 PolarHBondContact OD1-N 2.81Å; D93-R95 VanDerWaalsContact OD1-N 3.1Å
96	A	81.5	Confident	91.2	Very high	54 Å²	54	62.6 Å²	62.6	45%	0.446	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-4.4	-174	0	0	0	0	0	112.9	D93 V98	D93-A96 HydrophobicContact CB-CB 4.37Å; D93-A96 PolarHBondContact O-N 3.49Å; A96-V98 HydrophobicContact CB-CG2 3.62Å; A96-V98 PolarHBondContact O-N 3.2Å; A96-V98 VanDerWaalsContact O-N 3.13Å
97	M	81.8	Confident	91.1	Very high	161 Å²	161	61.4 Å²	61.4	79%	0.793	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	28.3	-173.4	-61.6	-164.6	179.2	0	0	113.4	D93	D93-M97 WeakPolarHBondContact O-CA 3.21Å; D93-M97 PolarHBondContact O-N 2.78Å
98	V	87.9	Confident	91	Very high	77 Å²	77	62.9 Å²	62.9	47%	0.467	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	157.4	178.2	-64.2	0	0	0	0	109.8	D93 A96	D93-V98 WeakPolarHBondContact CA-O 3.45Å; D93-V98 HydrophobicContact CB-CG2 4.37Å; D93-V98 VanDerWaalsContact CB-O 3.3Å; D93-V98 WeakPolarHBondContact CB-O 3.46Å; D93-V98 PolarHBondContact N-O 3.04Å; A96-V98 HydrophobicContact CB-CG2 3.62Å; A96-V98 PolarHBondContact O-N 3.2Å; A96-V98 VanDerWaalsContact O-N 3.13Å
99	F	91.1	Very high	90.7	Very high	34 Å²	34	63.3 Å²	63.3	15%	0.149	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	144.9	168.5	-72.4	-92.8	0	0	0	110.2	I90 S91 P92 Y131	I90-F99 HydrophobicContact CG2-CB 3.77Å; I90-F99 HydrophobicContact CG2-CD1 3.82Å; I90-F99 HydrophobicContact CG2-CG 4.15Å; S91-F99 WeakPolarHBondContact O-CA 3.42Å; P92-F99 HydrophobicContact CB-CD1 4.19Å; P92-F99 HydrophobicContact CB-CE1 3.83Å; P92-F99 HydrophobicContact CB-CZ 4.33Å; P92-F99 HydrophobicContact CG-CE1 4.48Å; F99-Y131 HydrophobicContact CD1-CE2 4.46Å; F99-Y131 HydrophobicContact CE1-CD2 4.15Å; F99-Y131 AromaticContact CE1-CE2 3.64Å; F99-Y131 HydrophobicContact CE1-CE2 3.64Å; F99-Y131 HydrophobicContact CZ-CE2 4.07Å
100	R	92.3	Very high	90.1	Very high	144 Å²	144	65.9 Å²	65.9	54%	0.543	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132	173.7	-67.5	-170.1	-67.1	-139.2	-11.3	109.8	I90 S91 D93	I90-R100 WeakPolarHBondContact CA-O 3.39Å; S91-R100 PolarHBondContact N-O 3.47Å; S91-R100 PolarHBondContact O-N 3.31Å; D93-R100 HydrophobicContact CB-CG 4.42Å; D93-R100 VanDerWaalsContact CG-CZ 3.49Å; D93-R100 IonicContact OD1-NH2 3.78Å; D93-R100 IonicContact OD2-CZ 3.51Å; D93-R100 IonicContact OD2-NE 3.85Å; D93-R100 IonicContact OD2-NH1 2.86Å; D93-R100 PolarHBondContact OD2-NH1 3.1Å; D93-R100 IonicContact OD2-NH2 3.26Å; D93-R100 PolarHBondContact OD2-NH2 3.05Å
101	S	93.5	Very high	89.6	Confident	60 Å²	60	71.8 Å²	71.8	42%	0.42	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.2	170.2	-179	0	0	0	0	110.8	M41 I89 I90	M41-S101 VanDerWaalsContact SD-CB 3.56Å; I89-S101 CarbonylContact O-C 3.55Å; I89-S101 WeakPolarHBondContact O-CA 3.4Å; I90-S101 VanDerWaalsContact CD1-CB 3.49Å; I90-S101 WeakPolarHBondContact CD1-OG 3.46Å
102	R	94.8	Very high	88.8	Confident	100 Å²	100	76 Å²	76	38%	0.377	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	116.1	172.1	178	167.6	59.7	107.1	0.1	108.9	A88 I89 A124 R125	A88-R102 CarbonylContact C-O 3.53Å; A88-R102 WeakPolarHBondContact CA-O 3.12Å; I89-R102 PolarHBondContact N-O 3.15Å; I89-R102 PolarHBondContact O-N 3.38Å; R102-A124 PolarHBondContact NH1-O 3.06Å; R102-A124 PolarHBondContact NH2-O 3.35Å; R102-R125 PolarHBondContact NH2-O 2.95Å
103	D	94.7	Very high	88.1	Confident	109 Å²	109	76.4 Å²	76.4	58%	0.583	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	139.5	174.4	-175.2	36.2	0	0	0	111
104	I	93.6	Very high	87.7	Confident	16 Å²	16	76.9 Å²	76.9	8%	0.082	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-24.9	-179	62.3	171.7	0	0	0	112.9	L64 F87 I89 K119 A124	L64-I104 HydrophobicContact CD1-CG1 4.46Å; L64-I104 HydrophobicContact CD2-CD1 3.63Å; L64-I104 HydrophobicContact CD2-CG1 4.35Å; F87-I104 HydrophobicContact CB-CD1 3.76Å; F87-I104 HydrophobicContact CB-CG1 3.56Å; F87-I104 WeakPolarHBondContact O-CG1 3.18Å; F87-I104 PolarHBondContact O-N 2.96Å; I89-I104 HydrophobicContact CB-CG2 4.39Å; I89-I104 HydrophobicContact CD1-CD1 4.49Å; I89-I104 HydrophobicContact CD1-CG2 3.67Å; I89-I104 HydrophobicContact CG1-CD1 4.21Å; I89-I104 HydrophobicContact CG1-CG2 3.73Å; I104-K119 WeakPolarHBondContact O-CD 3.4Å; I104-K119 PolarHBondContact O-NZ 3.17Å; I104-A124 HydrophobicContact CB-CB 4.21Å; I104-A124 HydrophobicContact CD1-CB 4.26Å; I104-A124 HydrophobicContact CG2-CB 3.91Å
105	G	93.7	Very high	87.8	Confident	5 Å²	5	78.7 Å²	78.7	5%	0.052	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.5	-179.9	178.5	0	0	0	0	0	113	F87 D116	F87-G105 PolarHBondContact N-O 2.7Å; G105-D116 VanDerWaalsContact CA-OD2 3.28Å; G105-D116 WeakPolarHBondContact CA-OD2 3.44Å
106	S	93.6	Very high	88.1	Confident	39 Å²	39	68.9 Å²	68.9	27%	0.273	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.7	-177.1	65.9	0	0	0	0	112.6	C85 D116	C85-S106 CarbonylContact O-C 3.59Å; C85-S106 WeakPolarHBondContact O-CA 3.1Å; S106-D116 PolarHBondContact N-OD2 2.7Å; S106-D116 WeakPolarHBondContact O-CB 3.18Å
107	T	93.7	Very high	88.5	Confident	3 Å²	3	66.7 Å²	66.7	2%	0.018	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152.1	175.8	66.7	0	0	0	0	110.1	L64 T68 T84 C85 F87 D117	L64-T107 HydrophobicContact CB-CG2 3.65Å; T68-T107 WeakPolarHBondContact CG2-OG1 3.28Å; T68-T107 PolarHBondContact OG1-OG1 2.84Å; T84-T107 CarbonylContact C-O 3.54Å; T84-T107 WeakPolarHBondContact CA-O 3.49Å; C85-T107 PolarHBondContact N-O 2.84Å; C85-T107 PolarHBondContact O-N 2.86Å; F87-T107 HydrophobicContact CE2-CG2 3.89Å; T107-D117 WeakPolarHBondContact CG2-OD1 3.47Å
108	V	92.5	Very high	89	Confident	30 Å²	30	63.8 Å²	63.8	18%	0.182	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.9	177.5	-177.1	0	0	0	0	110.4	T84 G110 Q111 T114	T84-V108 HydrophobicContact CG2-CG2 4.46Å; V108-G110 PolarHBondContact O-N 2.65Å; V108-Q111 HydrophobicContact CB-CB 4.27Å; V108-Q111 HydrophobicContact CG1-CB 4.08Å; V108-Q111 PolarHBondContact O-N 3.01Å; V108-T114 HydrophobicContact CG2-CG2 4.24Å
109	I	90.4	Very high	89.2	Confident	10 Å²	10	64 Å²	64	5%	0.051	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	119.4	-177.9	-66.8	176.3	0	0	0	109.8	T68 S78 R81 G82 T83	T68-I109 HydrophobicContact CG2-CD1 3.95Å; T68-I109 HydrophobicContact CG2-CG1 3.63Å; S78-I109 WeakPolarHBondContact O-CD1 3.48Å; R81-I109 CarbonylContact C-O 3.58Å; R81-I109 WeakPolarHBondContact CA-O 3.29Å; G82-I109 PolarHBondContact N-O 3.48Å; T83-I109 HydrophobicContact CG2-CD1 4.5Å; T83-I109 PolarHBondContact O-N 3.02Å
110	G	85.1	Confident	89.3	Confident	54 Å²	54	63.4 Å²	63.4	56%	0.557	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-2.1	179.8	0	0	0	0	0	114.7	V108	V108-G110 PolarHBondContact O-N 2.65Å
111	Q	85.1	Confident	89.4	Confident	125 Å²	125	56.6 Å²	56.6	58%	0.584	33%	0.329	S	S	*	.			trans	-123.8	82.7	171.4	-174.8	176	-36	0	0	109.1	V108	V108-Q111 HydrophobicContact CB-CB 4.27Å; V108-Q111 HydrophobicContact CG1-CB 4.08Å; V108-Q111 PolarHBondContact O-N 3.01Å
112	P	75.2	Confident	89.4	Confident	111 Å²	111	55.2 Å²	55.2	72%	0.721	32%	0.322	S	S	*	.			trans	-67.9	144.5	176.9	29.7	-33.6	0	0	0	110.5
113	G	77.1	Confident	89.3	Confident	65 Å²	65	55.1 Å²	55.1	67%	0.67	33%	0.329	S	S	*	.			trans	105.8	16.9	176.5	0	0	0	0	0	114.3	D117	G113-D117 PolarHBondContact N-OD2 2.78Å
114	T	80	Confident	89.2	Confident	31 Å²	31	50.5 Å²	50.5	19%	0.19	31%	0.306	C	S	.	.			trans	-62.8	140.4	161.7	24.8	0	0	0	0	109.4	V108 D116 D117	V108-T114 HydrophobicContact CG2-CG2 4.24Å; T114-D116 PolarHBondContact O-N 3.41Å; T114-D117 PolarHBondContact N-OD2 2.95Å; T114-D117 WeakPolarHBondContact O-CB 3.33Å; T114-D117 PolarHBondContact O-N 3.34Å; T114-D117 PolarHBondContact OG1-OD1 2.8Å; T114-D117 PolarHBondContact OG1-OD2 2.98Å
115	M	82.5	Confident	89.1	Confident	185 Å²	185	59.2 Å²	59.2	91%	0.911	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.3	-176.2	-65.4	-177.7	72.3	0	0	113.4
116	D	90.4	Very high	89.2	Confident	34 Å²	34	60 Å²	60	18%	0.182	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-9.7	-178.7	-62	-25.9	0	0	0	113.5	L64 G105 S106 T114 D118 K119	L64-D116 HydrophobicContact CD1-CB 4.24Å; G105-D116 VanDerWaalsContact CA-OD2 3.28Å; G105-D116 WeakPolarHBondContact CA-OD2 3.44Å; S106-D116 PolarHBondContact N-OD2 2.7Å; S106-D116 WeakPolarHBondContact O-CB 3.18Å; T114-D116 PolarHBondContact O-N 3.41Å; D116-D118 VanDerWaalsContact C-N 3.28Å; D116-D118 PolarHBondContact O-N 3.42Å; D116-K119 HydrophobicContact CB-CD 4.09Å; D116-K119 WeakPolarHBondContact O-CB 3.31Å; D116-K119 PolarHBondContact O-N 3.18Å; D116-K119 WeakPolarHBondContact OD1-CE 3.49Å; D116-K119 IonicContact OD1-NZ 3.37Å; D116-K119 PolarHBondContact OD1-NZ 2.81Å
117	D	90.5	Very high	89.1	Confident	7 Å²	7	62.6 Å²	62.6	4%	0.037	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-38.2	-175.1	-80.5	-1.9	0	0	0	112.7	S63 R65 T107 G113 T114	S63-D117 WeakPolarHBondContact CB-O 3.17Å; R65-D117 HydrophobicContact CB-CB 4.18Å; R65-D117 VanDerWaalsContact CB-O 3.29Å; R65-D117 WeakPolarHBondContact CB-O 3.28Å; R65-D117 PolarHBondContact N-O 2.8Å; R65-D117 VanDerWaalsContact N-O 3.16Å; T107-D117 WeakPolarHBondContact CG2-OD1 3.47Å; G113-D117 PolarHBondContact N-OD2 2.78Å; T114-D117 PolarHBondContact N-OD2 2.95Å; T114-D117 WeakPolarHBondContact O-CB 3.33Å; T114-D117 PolarHBondContact O-N 3.34Å; T114-D117 PolarHBondContact OG1-OD1 2.8Å; T114-D117 PolarHBondContact OG1-OD2 2.98Å
118	D	91.1	Very high	89.1	Confident	100 Å²	100	67.5 Å²	67.5	54%	0.535	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.5	-176.3	-60.3	-45.4	0	0	0	112.6	R65 D116 T120	R65-D118 IonicContact CZ-OD1 3.29Å; R65-D118 VanDerWaalsContact CZ-OD1 3.24Å; R65-D118 IonicContact NH1-OD1 3.06Å; R65-D118 PolarHBondContact NH1-OD1 2.91Å; R65-D118 IonicContact NH2-OD1 3.63Å; R65-D118 PolarHBondContact NH2-OD1 2.67Å; D116-D118 VanDerWaalsContact C-N 3.28Å; D116-D118 PolarHBondContact O-N 3.42Å; D118-T120 PolarHBondContact O-N 2.98Å
119	K	92.6	Very high	89.1	Confident	82 Å²	82	68.2 Å²	68.2	36%	0.357	40%	0.397	S	S	.	.			trans	-62.7	127.4	173.1	-73.9	178.5	174.2	171.8	0	109.7	S63 L64 I104 D116	S63-K119 CarbonylContact C-O 3.59Å; S63-K119 VanDerWaalsContact CA-O 3.29Å; S63-K119 WeakPolarHBondContact CA-O 3.05Å; L64-K119 HydrophobicContact CD1-CB 4.3Å; L64-K119 HydrophobicContact CG-CB 4.31Å; L64-K119 PolarHBondContact N-O 2.88Å; I104-K119 WeakPolarHBondContact O-CD 3.4Å; I104-K119 PolarHBondContact O-NZ 3.17Å; D116-K119 HydrophobicContact CB-CD 4.09Å; D116-K119 WeakPolarHBondContact O-CB 3.31Å; D116-K119 PolarHBondContact O-N 3.18Å; D116-K119 WeakPolarHBondContact OD1-CE 3.49Å; D116-K119 IonicContact OD1-NZ 3.37Å; D116-K119 PolarHBondContact OD1-NZ 2.81Å
120	T	94.1	Very high	89.3	Confident	21 Å²	21	68.6 Å²	68.6	13%	0.129	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-96.4	164.5	179.1	67.6	0	0	0	0	112.5	D61 C62 D118 A122 D123 A124	D61-T120 WeakPolarHBondContact O-CG2 3.45Å; C62-T120 CarbonylContact O-C 3.53Å; C62-T120 VanDerWaalsContact O-CA 3.29Å; C62-T120 WeakPolarHBondContact O-CA 3.44Å; D118-T120 PolarHBondContact O-N 2.98Å; T120-A122 PolarHBondContact O-N 3.24Å; T120-A122 PolarHBondContact OG1-N 2.87Å; T120-D123 WeakPolarHBondContact CB-OD2 3.46Å; T120-D123 PolarHBondContact N-OD2 3.49Å; T120-D123 PolarHBondContact O-N 2.99Å; T120-D123 PolarHBondContact OG1-N 2.9Å; T120-D123 VanDerWaalsContact OG1-N 3.17Å; T120-D123 PolarHBondContact OG1-OD2 3.45Å; T120-A124 WeakPolarHBondContact O-CB 3.49Å; T120-A124 PolarHBondContact O-N 3.4Å
121	L	93.7	Very high	89.8	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.4	170.6	-68.1	-179.3	0	0	0	112.3	M27 V29 T58 R60 C62 L67 A124 R125 F126 I132	M27-L121 HydrophobicContact CE-CB 4.46Å; M27-L121 HydrophobicContact CE-CD1 3.6Å; V29-L121 HydrophobicContact CG2-CD1 4.14Å; T58-L121 HydrophobicContact CG2-CD1 4.02Å; R60-L121 PolarHBondContact O-N 3.43Å; C62-L121 HydrophobicContact CB-CD1 4.04Å; C62-L121 HydrophobicContact CB-CG 4.34Å; C62-L121 PolarHBondContact O-N 3.05Å; L67-L121 HydrophobicContact CD1-CD2 4.17Å; L121-A124 PolarHBondContact O-N 3.26Å; L121-R125 PolarHBondContact O-N 3.11Å; L121-F126 HydrophobicContact CB-CB 4.03Å; L121-F126 HydrophobicContact CD2-CB 4.24Å; L121-F126 HydrophobicContact CD2-CD2 4.48Å; L121-F126 HydrophobicContact CD2-CG 4.3Å; L121-F126 WeakPolarHBondContact O-CB 3.37Å; L121-F126 PolarHBondContact O-N 3.43Å; L121-I132 HydrophobicContact CD2-CD1 3.63Å
122	A	92.8	Very high	90.3	Very high	32 Å²	32	61.8 Å²	61.8	26%	0.264	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-46.5	173.6	0	0	0	0	0	111.6	R60 T120 A124 R125	R60-A122 HydrophobicContact CB-CB 4.19Å; R60-A122 WeakPolarHBondContact O-CB 3.49Å; R60-A122 PolarHBondContact O-N 3.42Å; T120-A122 PolarHBondContact O-N 3.24Å; T120-A122 PolarHBondContact OG1-N 2.87Å; A122-A124 VanDerWaalsContact C-N 3.27Å; A122-A124 PolarHBondContact O-N 2.81Å; A122-R125 PolarHBondContact O-N 2.83Å
123	D	92.6	Very high	91.3	Very high	97 Å²	97	56.5 Å²	56.5	52%	0.519	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-37.1	177.6	-58.1	-45.1	0	0	0	111.4	T120 R125	T120-D123 WeakPolarHBondContact CB-OD2 3.46Å; T120-D123 PolarHBondContact N-OD2 3.49Å; T120-D123 PolarHBondContact O-N 2.99Å; T120-D123 PolarHBondContact OG1-N 2.9Å; T120-D123 VanDerWaalsContact OG1-N 3.17Å; T120-D123 PolarHBondContact OG1-OD2 3.45Å; D123-R125 PolarHBondContact O-N 2.63Å
124	A	92.5	Very high	92.2	Very high	13 Å²	13	53.4 Å²	53.4	11%	0.107	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-3.9	175.9	0	0	0	0	0	113.5	I89 R102 I104 T120 L121 A122 F126	I89-A124 HydrophobicContact CD1-CB 3.84Å; R102-A124 PolarHBondContact NH1-O 3.06Å; R102-A124 PolarHBondContact NH2-O 3.35Å; I104-A124 HydrophobicContact CB-CB 4.21Å; I104-A124 HydrophobicContact CD1-CB 4.26Å; I104-A124 HydrophobicContact CG2-CB 3.91Å; T120-A124 WeakPolarHBondContact O-CB 3.49Å; T120-A124 PolarHBondContact O-N 3.4Å; L121-A124 PolarHBondContact O-N 3.26Å; A122-A124 VanDerWaalsContact C-N 3.27Å; A122-A124 PolarHBondContact O-N 2.81Å; A124-F126 VanDerWaalsContact C-N 3.25Å; A124-F126 PolarHBondContact O-N 3.13Å
125	R	93.1	Very high	92.9	Very high	198 Å²	198	52 Å²	52	75%	0.747	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	39.9	-174.6	-55	177.3	178.5	-94.7	-1.2	112.6	R102 L121 A122 D123	R102-R125 PolarHBondContact NH2-O 2.95Å; L121-R125 PolarHBondContact O-N 3.11Å; A122-R125 PolarHBondContact O-N 2.83Å; D123-R125 PolarHBondContact O-N 2.63Å
126	F	93.9	Very high	93.4	Very high	22 Å²	22	43.3 Å²	43.3	10%	0.096	23%	0.234	C	C	.	.			trans	-66.8	134.5	172.4	178.5	-90.7	0	0	0	110	M27 V29 I89 L121 A124 D130 I132	M27-F126 HydrophobicContact CE-CD1 3.76Å; M27-F126 HydrophobicContact CE-CE1 3.83Å; M27-F126 HydrophobicContact SD-CD1 4.14Å; M27-F126 HydrophobicContact SD-CE1 3.88Å; V29-F126 HydrophobicContact CG1-CZ 4.22Å; V29-F126 HydrophobicContact CG2-CE1 4.08Å; V29-F126 HydrophobicContact CG2-CZ 4.13Å; I89-F126 HydrophobicContact CD1-CB 3.98Å; I89-F126 HydrophobicContact CD1-CD2 4.19Å; I89-F126 HydrophobicContact CG1-CD2 4.3Å; L121-F126 HydrophobicContact CB-CB 4.03Å; L121-F126 HydrophobicContact CD2-CB 4.24Å; L121-F126 HydrophobicContact CD2-CD2 4.48Å; L121-F126 HydrophobicContact CD2-CG 4.3Å; L121-F126 WeakPolarHBondContact O-CB 3.37Å; L121-F126 PolarHBondContact O-N 3.43Å; A124-F126 VanDerWaalsContact C-N 3.25Å; A124-F126 PolarHBondContact O-N 3.13Å; F126-D130 HydrophobicContact CD2-CB 3.78Å; F126-D130 HydrophobicContact CE2-CB 3.5Å; F126-D130 VanDerWaalsContact CE2-CB 3.5Å; F126-D130 HydrophobicContact CZ-CB 4.11Å; F126-D130 WeakPolarHBondContact CZ-O 3.47Å; F126-I132 HydrophobicContact CD2-CD1 4.37Å; F126-I132 HydrophobicContact CD2-CG1 4.14Å; F126-I132 HydrophobicContact CE2-CD1 4.19Å; F126-I132 HydrophobicContact CE2-CG1 3.77Å
127	V	93.3	Very high	93.5	Very high	93 Å²	93	44.1 Å²	44.1	56%	0.564	24%	0.24	S	C	*	.			trans	-117.5	143.9	175.6	-178.3	0	0	0	0	109.4	G129 D130	V127-G129 PolarHBondContact O-N 2.78Å; V127-G129 VanDerWaalsContact O-N 3.17Å; V127-D130 PolarHBondContact N-OD2 3.43Å; V127-D130 WeakPolarHBondContact O-CB 3.35Å; V127-D130 PolarHBondContact O-N 2.81Å
128	V	92.9	Very high	93.4	Very high	106 Å²	106	45.7 Å²	45.7	64%	0.642	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	123.5	174.9	179.8	0	0	0	0	109.5	M27	M27-V128 HydrophobicContact CB-CG2 4.16Å; M27-V128 HydrophobicContact SD-CG2 3.87Å
129	G	91.9	Very high	93.2	Very high	46 Å²	46	43.1 Å²	43.1	47%	0.474	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	113.1	-22.4	-171.9	0	0	0	0	0	113.1	V127	V127-G129 PolarHBondContact O-N 2.78Å; V127-G129 VanDerWaalsContact O-N 3.17Å
130	D	94.8	Very high	92.4	Very high	18 Å²	18	45.3 Å²	45.3	10%	0.096	26%	0.261	C	S	.	.			trans	-67.3	152	167.3	-69.6	-27	0	0	0	110.9	I89 S91 F126 V127	I89-D130 HydrophobicContact CG2-CB 3.86Å; S91-D130 WeakPolarHBondContact CA-OD1 3.44Å; S91-D130 WeakPolarHBondContact CB-OD1 3.45Å; S91-D130 VanDerWaalsContact OG-CG 3.24Å; S91-D130 PolarHBondContact OG-OD1 2.94Å; F126-D130 HydrophobicContact CD2-CB 3.78Å; F126-D130 HydrophobicContact CE2-CB 3.5Å; F126-D130 VanDerWaalsContact CE2-CB 3.5Å; F126-D130 HydrophobicContact CZ-CB 4.11Å; F126-D130 WeakPolarHBondContact CZ-O 3.47Å; V127-D130 PolarHBondContact N-OD2 3.43Å; V127-D130 WeakPolarHBondContact O-CB 3.35Å; V127-D130 PolarHBondContact O-N 2.81Å
131	Y	95.4	Very high	90.5	Very high	35 Å²	35	52 Å²	52	14%	0.137	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	155.7	167.8	-48.9	-37.1	0	0	0	110.5	R30 F32 Y44 V49 I89 I90 F99	R30-Y131 HydrophobicContact CB-CD1 4.11Å; R30-Y131 VanDerWaalsContact NH1-CE1 3.29Å; R30-Y131 PolarHBondContact NH1-OH 3.38Å; F32-Y131 HydrophobicContact CD2-CG 4.31Å; F32-Y131 HydrophobicContact CE2-CD1 4.06Å; F32-Y131 AromaticContact CE2-CD2 3.94Å; F32-Y131 HydrophobicContact CE2-CD2 3.94Å; F32-Y131 AromaticContact CE2-CG 3.63Å; F32-Y131 HydrophobicContact CE2-CG 3.63Å; Y44-Y131 AromaticContact CD1-CD2 3.87Å; Y44-Y131 HydrophobicContact CD1-CD2 3.87Å; Y44-Y131 HydrophobicContact CD1-CE2 4.35Å; Y44-Y131 HydrophobicContact CE1-CD2 4.05Å; V49-Y131 HydrophobicContact CG1-CE2 4.02Å; I89-Y131 CarbonylContact C-O 3.57Å; I89-Y131 WeakPolarHBondContact CA-O 3.43Å; I90-Y131 PolarHBondContact N-O 2.79Å; I90-Y131 PolarHBondContact O-N 2.76Å; F99-Y131 HydrophobicContact CD1-CE2 4.46Å; F99-Y131 HydrophobicContact CE1-CD2 4.15Å; F99-Y131 AromaticContact CE1-CE2 3.64Å; F99-Y131 HydrophobicContact CE1-CE2 3.64Å; F99-Y131 HydrophobicContact CZ-CE2 4.07Å
132	I	96.2	Very high	88.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.2	168.7	-57.7	-174.8	0	0	0	107.8	V29 R30 L31 F32 L67 F87 A88 L121 F126 V134	V29-I132 HydrophobicContact CG1-CD1 3.42Å; V29-I132 VanDerWaalsContact CG1-CD1 3.42Å; V29-I132 HydrophobicContact CG1-CG1 3.9Å; R30-I132 PolarHBondContact O-N 3.23Å; L31-I132 CarbonylContact C-O 3.6Å; L31-I132 VanDerWaalsContact CA-O 3.24Å; L31-I132 WeakPolarHBondContact CA-O 2.91Å; L31-I132 HydrophobicContact CB-CB 4.41Å; L31-I132 HydrophobicContact CD1-CB 4.02Å; L31-I132 HydrophobicContact CD1-CG2 3.73Å; L31-I132 HydrophobicContact CG-CB 4.08Å; L31-I132 HydrophobicContact CG-CG2 4.07Å; F32-I132 PolarHBondContact N-O 3.26Å; L67-I132 HydrophobicContact CD1-CD1 3.95Å; F87-I132 HydrophobicContact CD1-CG2 4.17Å; A88-I132 CarbonylContact O-C 3.53Å; A88-I132 WeakPolarHBondContact O-CA 3.48Å; L121-I132 HydrophobicContact CD2-CD1 3.63Å; F126-I132 HydrophobicContact CD2-CD1 4.37Å; F126-I132 HydrophobicContact CD2-CG1 4.14Å; F126-I132 HydrophobicContact CE2-CD1 4.19Å; F126-I132 HydrophobicContact CE2-CG1 3.77Å; I132-V134 HydrophobicContact CG2-CG2 3.9Å
133	D	95.8	Very high	85.6	Confident	0 Å²	0	61 Å²	61	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.6	170.6	-170.8	55.6	0	0	0	110	F32 H38 N39 Y44 A88 I90	F32-D133 CarbonylContact O-C 3.51Å; F32-D133 WeakPolarHBondContact O-CA 3.16Å; H38-D133 WeakPolarHBondContact CA-OD2 3.44Å; H38-D133 WeakPolarHBondContact CB-OD2 3.33Å; H38-D133 IonicContact CE1-OD2 2.7Å; H38-D133 IonicContact CG-OD2 3.77Å; H38-D133 VanDerWaalsContact CG-OD2 3.26Å; H38-D133 IonicContact ND1-OD2 3.63Å; H38-D133 PolarHBondContact ND1-OD2 2.94Å; N39-D133 WeakPolarHBondContact CB-OD1 3.38Å; N39-D133 PolarHBondContact N-OD2 2.89Å; N39-D133 PolarHBondContact ND2-OD1 3.27Å; Y44-D133 WeakPolarHBondContact OH-CB 3.37Å; Y44-D133 VanDerWaalsContact OH-CG 3.27Å; Y44-D133 PolarHBondContact OH-OD1 2.65Å; A88-D133 PolarHBondContact N-O 3.03Å; A88-D133 PolarHBondContact O-N 3.17Å; I90-D133 HydrophobicContact CD1-CB 4.03Å; I90-D133 HydrophobicContact CG1-CB 3.73Å
134	V	95.8	Very high	83.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	117	-177.8	-172.3	0	0	0	0	111.1	L31 F32 T33 C34 I71 C85 S86 F87 I132 I136	L31-V134 HydrophobicContact CD1-CG2 3.75Å; L31-V134 HydrophobicContact CD2-CB 4.23Å; L31-V134 HydrophobicContact CD2-CG2 3.65Å; L31-V134 HydrophobicContact CG-CG2 3.74Å; F32-V134 PolarHBondContact O-N 3.03Å; T33-V134 WeakPolarHBondContact CA-O 3.17Å; T33-V134 HydrophobicContact CG2-CB 4.39Å; C34-V134 PolarHBondContact N-O 3.17Å; I71-V134 HydrophobicContact CD1-CB 4.34Å; I71-V134 HydrophobicContact CD1-CG1 3.97Å; I71-V134 HydrophobicContact CD1-CG2 4.03Å; C85-V134 HydrophobicContact CB-CG1 4.12Å; S86-V134 CarbonylContact O-C 3.54Å; S86-V134 VanDerWaalsContact O-CA 3.26Å; S86-V134 WeakPolarHBondContact O-CA 3.36Å; F87-V134 HydrophobicContact CD1-CG1 4.3Å; F87-V134 HydrophobicContact CD1-CG2 3.46Å; F87-V134 VanDerWaalsContact CD1-CG2 3.46Å; F87-V134 HydrophobicContact CE1-CG1 4.12Å; F87-V134 HydrophobicContact CE1-CG2 3.65Å; F87-V134 HydrophobicContact CG-CG2 4.34Å; F87-V134 HydrophobicContact CZ-CG1 4.38Å; I132-V134 HydrophobicContact CG2-CG2 3.9Å; V134-I136 HydrophobicContact CG1-CG1 4.23Å
135	A	94.6	Very high	80.6	Confident	3 Å²	3	70.4 Å²	70.4	3%	0.025	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.3	168.4	0	0	0	0	0	109.4	R37 C85 S86 V137	R37-A135 WeakPolarHBondContact O-CB 3.4Å; C85-A135 CarbonylContact C-O 3.53Å; C85-A135 WeakPolarHBondContact CA-O 3.21Å; S86-A135 PolarHBondContact N-O 2.8Å; S86-A135 PolarHBondContact O-N 2.88Å; A135-V137 HydrophobicContact CB-CG2 4.48Å
136	I	93.5	Very high	78.4	Confident	1 Å²	1	73 Å²	73	1%	0.005	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	104.5	176.8	-58.2	171.4	0	0	0	107.2	T33 C34 L35 E36 I71 I75 T83 V134 P138	T33-I136 HydrophobicContact CG2-CD1 4.31Å; C34-I136 PolarHBondContact O-N 3.01Å; L35-I136 HydrophobicContact CD2-CB 4.25Å; L35-I136 HydrophobicContact CD2-CG2 4.33Å; E36-I136 PolarHBondContact N-O 3.13Å; I71-I136 HydrophobicContact CG2-CD1 3.81Å; I71-I136 HydrophobicContact CG2-CG1 4.5Å; I75-I136 HydrophobicContact CB-CD1 4.5Å; I75-I136 HydrophobicContact CD1-CD1 3.73Å; I75-I136 HydrophobicContact CG2-CD1 4.11Å; T83-I136 HydrophobicContact CG2-CG2 3.56Å; V134-I136 HydrophobicContact CG1-CG1 4.23Å; I136-P138 WeakPolarHBondContact O-CD 3.46Å
137	V	92.6	Very high	75.7	Confident	51 Å²	51	75.2 Å²	75.2	31%	0.309	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	103.7	-176.7	-172.4	0	0	0	0	108.8	T83 T84 A135	T83-V137 CarbonylContact C-O 3.54Å; T83-V137 WeakPolarHBondContact CA-O 3.4Å; T83-V137 WeakPolarHBondContact CG2-O 3.3Å; T84-V137 PolarHBondContact N-O 3.26Å; T84-V137 PolarHBondContact O-N 2.7Å; A135-V137 HydrophobicContact CB-CG2 4.48Å
138	P	89.2	Confident	73.6	Confident	40 Å²	40	82.7 Å²	82.7	26%	0.26	45%	0.449	S	S	.	.			trans	-57.6	153.6	174.8	-22.6	33.9	0	0	0	111.3	I136 T140	I136-P138 WeakPolarHBondContact O-CD 3.46Å; P138-T140 PolarHBondContact O-N 3.22Å
139	P	85.2	Confident	71.4	Confident	47 Å²	47	80.8 Å²	80.8	31%	0.305	45%	0.451	S	S	.	.			trans	-62.3	113.5	174.6	28.8	-35	0	0	0	108.6	R81 G82 H141	R81-P139 WeakPolarHBondContact O-CG 3.49Å; G82-P139 WeakPolarHBondContact O-CB 3.49Å; P139-H141 PolarHBondContact O-N 2.9Å
140	T	76.9	Confident	69.4	Low	128 Å²	128	86.2 Å²	86.2	79%	0.785	47%	0.469	S	S	*	.			trans	-70.4	115.5	169.1	49.7	0	0	0	0	106.9	P138 S142	P138-T140 PolarHBondContact O-N 3.22Å; T140-S142 VanDerWaalsContact C-N 3.32Å; T140-S142 PolarHBondContact O-N 3.1Å
141	H	53.8	Low	67.7	Low	162 Å²	162	93.1 Å²	93.1	75%	0.75	50%	0.499	S	S	*	.			trans	-60.6	104.4	162.7	-78.4	-94.6	0	0	0	105.7	P139 T143	P139-H141 PolarHBondContact O-N 2.9Å; H141-T143 HydrophobicContact CB-CG2 4.32Å; H141-T143 PolarHBondContact O-N 3.13Å
142	S	42.8	Very low	65.6	Low	113 Å²	113	101.5 Å²	101.5	79%	0.79	53%	0.53	S	S	*	.			trans	-67.5	77.2	169.8	75.4	0	0	0	0	108	T140 F144	T140-S142 VanDerWaalsContact C-N 3.32Å; T140-S142 PolarHBondContact O-N 3.1Å; S142-F144 VanDerWaalsContact C-N 3.26Å
143	T	39.8	Very low	63.6	Low	107 Å²	107	111.9 Å²	111.9	66%	0.656	57%	0.569	S	S	*	*			trans	-96	32.9	164.8	54.3	0	0	0	0	109.9	H141	H141-T143 HydrophobicContact CB-CG2 4.32Å; H141-T143 PolarHBondContact O-N 3.13Å
144	F	42.7	Very low	61.6	Low	174 Å²	174	123.1 Å²	123.1	76%	0.763	61%	0.612	S	S	*	*	S	Bend	trans	-142.3	95.6	168.6	-81.5	-78.6	0	0	0	111.3	S142	S142-F144 VanDerWaalsContact C-N 3.26Å
145	T	39.1	Very low	59.6	Low	135 Å²	135	128.1 Å²	128.1	83%	0.828	64%	0.644	S	S	*	*			trans	54.4	81.9	138.9	53.5	0	0	0	0	117.5
146	R	45.7	Very low	57.7	Low	252 Å²	252	131.9 Å²	131.9	95%	0.951	68%	0.676	S	S	*	*			trans	-115.6	96.4	156.7	-158.7	178.5	-169.2	-175.3	3.6	109.7
147	G	38.7	Very low	56.1	Low	69 Å²	69	145.9 Å²	145.9	71%	0.711	74%	0.737	S	S	*	*			trans	80.3	110.6	146.8	0	0	0	0	0	118.8
148	R	47.5	Very low	54.3	Low	249 Å²	249	150.6 Å²	150.6	94%	0.94	76%	0.758	S	S	*	*			trans	157.2	105.3	136.4	-91.6	178.9	172.6	177	-1	106.8
149	G	47.3	Very low	52.5	Low	67 Å²	67	156.4 Å²	156.4	69%	0.691	78%	0.784	S	S	*	*			cis	64	98.6	43.7	0	0	0	0	0	109.2
150	N	50.5	Low	50.6	Low	159 Å²	159	162.5 Å²	162.5	85%	0.85	81%	0.811	S	S	*	*			trans	67.1	106.2	171.7	-80.3	7.5	0	0	0	118.8
151	F	58.3	Low	49.1	Very low	164 Å²	164	164.5 Å²	164.5	72%	0.719	81%	0.812	S	S	*	*				177.3	102.9	112.3	-128.4	-113	0	0	0	107.4
152	R	51.9	Low	48.8	Very low	210 Å²	210	164.7 Å²	164.7	79%	0.792	82%	0.816	S	S	*	*				56.6	127.1	95.5	-74	-173.1	142.1	170	-3.9	114.3
153	R	54.3	Low	49.2	Very low	219 Å²	219	168.1 Å²	168.1	83%	0.826	82%	0.818	S	S	*	*			trans	104.3	95.2	159	-53.9	-161.1	-179.6	-155.7	0.3	113.6
154	R	54	Low	49.9	Very low	235 Å²	235	172.5 Å²	172.5	89%	0.887	83%	0.83	S	S	*	*				72.9	155.8	83.8	-82	-168.2	116.9	-159.7	3.7	112.5
155	P	52.9	Low	50.4	Low	106 Å²	106	172.4 Å²	172.4	69%	0.688	84%	0.835	S	S	*	*			cis	-141.8	-170.6	-43.5	40	-21.5	0	0	0	113
156	A	55.7	Low	51.4	Low	82 Å²	82	175.5 Å²	175.5	68%	0.678	84%	0.835	S	S	*	*			trans	82.8	104	150.4	0	0	0	0	0	119.6
157	F	59.8	Low	51.9	Low	294 Å²	294	168.5 Å²	168.5	100%	1.289	83%	0.825	S	S	*	*				-132.9	0	116.1	-85.2	-81.4	0	0	0	108.3

Retrieved 157 of 157 residues in 282.7 ms (Link to these results)

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