A0A077ZD68_TRITR Loading...

Small heat shock protein

AlphaFold DB , UniProt , Accession A0A077ZD68, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 159 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	39.2	Very low	44.9	Very low	248 Å²	248	148.5 Å²	148.5	100%	1.222	83%	0.831	S	S	*	*				0	100	0	-78.7	172.6	-179.7	0	0	107.5
2	A	41.9	Very low	44.4	Very low	93 Å²	93	150.4 Å²	150.4	77%	0.769	82%	0.818	S	S	*	*			trans	-135.8	104	170.3	0	0	0	0	0	106.2
3	L	37	Very low	44.7	Very low	183 Å²	183	145.1 Å²	145.1	96%	0.958	79%	0.788	S	S	*	*			trans	-72.8	126.8	173.2	-68.6	161.3	0	0	0	106.7
4	M	43.7	Very low	44.8	Very low	144 Å²	144	146.9 Å²	146.9	71%	0.709	79%	0.789	S	S	*	*			trans	-108.6	139.6	169.7	-69.2	-134.5	-155.1	0	0	111	W6	M4-W6 HydrophobicContact CB-CZ2 4.11Å; M4-W6 HydrophobicContact SD-CZ2 3.66Å
5	P	44.6	Very low	44.8	Very low	109 Å²	109	148.5 Å²	148.5	71%	0.708	79%	0.789	S	S	*	*			trans	-108.6	97.2	-158.7	28.5	-7.9	0	0	0	109.9
6	W	49.7	Very low	44.3	Very low	202 Å²	202	148.9 Å²	148.9	77%	0.765	79%	0.788	S	S	*	*			trans	-152.5	80.5	173.3	-7.7	80.6	0	0	0	107.8	M4	M4-W6 HydrophobicContact CB-CZ2 4.11Å; M4-W6 HydrophobicContact SD-CZ2 3.66Å
7	L	38.9	Very low	43.7	Very low	161 Å²	161	147.8 Å²	147.8	84%	0.843	78%	0.782	S	S	*	*			trans	-152	53.6	178	-122.6	125.3	0	0	0	110.4
8	D	49.5	Very low	43.2	Very low	163 Å²	163	149.4 Å²	149.4	87%	0.872	79%	0.787	S	S	*	*			trans	-138.4	47.5	171.9	-81.3	-45	0	0	0	110.8
9	I	53.9	Low	43.2	Very low	117 Å²	117	146.1 Å²	146.1	60%	0.6	78%	0.775	S	S	*	*			trans	-109.7	105.1	169.8	-53.7	179.2	0	0	0	108.6	G11 Y12	I9-G11 PolarHBondContact O-N 3.1Å; I9-Y12 HydrophobicContact CB-CD2 3.93Å; I9-Y12 HydrophobicContact CD1-CD2 4.32Å; I9-Y12 HydrophobicContact CD1-CE2 4.06Å; I9-Y12 HydrophobicContact CG2-CD2 3.87Å; I9-Y12 HydrophobicContact CG2-CE2 4.37Å; I9-Y12 PolarHBondContact O-N 3.24Å
10	P	39.3	Very low	42.7	Very low	131 Å²	131	149 Å²	149	85%	0.851	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	119.6	178.1	27.4	-28.3	0	0	0	109.1
11	G	56.3	Low	42.2	Very low	82 Å²	82	148.2 Å²	148.2	85%	0.845	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	113.5	4.6	-176.5	0	0	0	0	0	115.5	I9 D13	I9-G11 PolarHBondContact O-N 3.1Å; G11-D13 PolarHBondContact O-N 3.31Å
12	Y	38.8	Very low	42.3	Very low	172 Å²	172	141.3 Å²	141.3	68%	0.675	76%	0.756	S	S	*	*			trans	-77.2	117	169	-113.9	-95.5	0	0	0	110.7	I9	I9-Y12 HydrophobicContact CB-CD2 3.93Å; I9-Y12 HydrophobicContact CD1-CD2 4.32Å; I9-Y12 HydrophobicContact CD1-CE2 4.06Å; I9-Y12 HydrophobicContact CG2-CD2 3.87Å; I9-Y12 HydrophobicContact CG2-CE2 4.37Å; I9-Y12 PolarHBondContact O-N 3.24Å
13	D	47.9	Very low	42	Very low	81 Å²	81	148.3 Å²	148.3	43%	0.433	76%	0.764	S	S	.	*			trans	-84.6	113.6	172.3	-172.4	-4.8	0	0	0	109.4	G11 Q15 M16	G11-D13 PolarHBondContact O-N 3.31Å; D13-Q15 PolarHBondContact O-N 3.4Å; D13-Q15 WeakPolarHBondContact OD1-CB 3.49Å; D13-Q15 WeakPolarHBondContact OD1-CG 3.38Å; D13-Q15 PolarHBondContact OD1-N 3.47Å; D13-M16 PolarHBondContact O-N 2.78Å; D13-M16 VanDerWaalsContact O-N 3.14Å
14	E	47.1	Very low	42.4	Very low	171 Å²	171	142.2 Å²	142.2	80%	0.799	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-59.4	-10.5	176.1	-82.3	-173.5	143.1	0	0	113.3	M16	E14-M16 VanDerWaalsContact C-N 3.31Å; E14-M16 PolarHBondContact O-N 2.76Å
15	Q	43.6	Very low	42.8	Very low	170 Å²	170	140 Å²	140	79%	0.794	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-80	-6.5	175.4	-61.5	-176.3	17.6	0	0	114.2	D13	D13-Q15 PolarHBondContact O-N 3.4Å; D13-Q15 WeakPolarHBondContact OD1-CB 3.49Å; D13-Q15 WeakPolarHBondContact OD1-CG 3.38Å; D13-Q15 PolarHBondContact OD1-N 3.47Å
16	M	37.1	Very low	43	Very low	155 Å²	155	142.5 Å²	142.5	76%	0.764	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-94.8	-5.5	179.2	-65.2	-142.2	-172.8	0	0	114.9	D13 E14 M18	D13-M16 PolarHBondContact O-N 2.78Å; D13-M16 VanDerWaalsContact O-N 3.14Å; E14-M16 VanDerWaalsContact C-N 3.31Å; E14-M16 PolarHBondContact O-N 2.76Å; M16-M18 VanDerWaalsContact C-N 3.35Å; M16-M18 PolarHBondContact O-N 2.68Å; M16-M18 VanDerWaalsContact O-N 3.13Å
17	L	34.8	Very low	42.9	Very low	130 Å²	130	141.9 Å²	141.9	68%	0.681	73%	0.726	S	S	*	*			trans	-87.1	77.8	174.1	-67.7	175.4	0	0	0	109.5	P19	L17-P19 WeakPolarHBondContact O-CD 3.2Å; L17-P19 VanDerWaalsContact O-N 3.1Å
18	M	34.1	Very low	43.8	Very low	177 Å²	177	140.6 Å²	140.6	87%	0.872	72%	0.72	S	S	*	*			trans	-60.1	115.1	165.1	-70.8	-161.3	-162.5	0	0	107.9	M16 M20	M16-M18 VanDerWaalsContact C-N 3.35Å; M16-M18 PolarHBondContact O-N 2.68Å; M16-M18 VanDerWaalsContact O-N 3.13Å; M18-M20 PolarHBondContact O-N 3.17Å
19	P	43.1	Very low	44	Very low	87 Å²	87	136.7 Å²	136.7	57%	0.565	70%	0.698	S	S	*	*			trans	-62.2	135.8	171.1	13.5	-6.3	0	0	0	106.7	L17 M21	L17-P19 WeakPolarHBondContact O-CD 3.2Å; L17-P19 VanDerWaalsContact O-N 3.1Å; P19-M21 HydrophobicContact CB-CE 4.44Å; P19-M21 HydrophobicContact CB-CG 3.93Å; P19-M21 HydrophobicContact CG-CE 3.66Å; P19-M21 HydrophobicContact CG-CG 3.89Å; P19-M21 PolarHBondContact O-N 2.75Å
20	M	33.8	Very low	44.3	Very low	203 Å²	203	135.4 Å²	135.4	100%	1	69%	0.692	S	S	*	*			trans	-58.1	73	160.6	-92.1	-99.5	-121.4	0	0	108.2	M18 S22	M18-M20 PolarHBondContact O-N 3.17Å; M20-S22 PolarHBondContact O-N 2.8Å
21	M	32.5	Very low	45.1	Very low	134 Å²	134	138.6 Å²	138.6	66%	0.66	69%	0.687	S	S	*	*			trans	-78.7	120	174.9	-71.5	-156.6	-177.8	0	0	107	P19 Y23	P19-M21 HydrophobicContact CB-CE 4.44Å; P19-M21 HydrophobicContact CB-CG 3.93Å; P19-M21 HydrophobicContact CG-CE 3.66Å; P19-M21 HydrophobicContact CG-CG 3.89Å; P19-M21 PolarHBondContact O-N 2.75Å; M21-Y23 PolarHBondContact O-N 2.84Å
22	S	41.3	Very low	45.3	Very low	102 Å²	102	138.5 Å²	138.5	71%	0.713	67%	0.666	S	S	*	*			trans	-32.1	120.4	167.4	53.8	0	0	0	0	111.8	M20 S24	M20-S22 PolarHBondContact O-N 2.8Å; S22-S24 VanDerWaalsContact C-N 3.34Å; S22-S24 PolarHBondContact O-N 2.87Å
23	Y	35.1	Very low	46.4	Very low	241 Å²	241	135.1 Å²	135.1	95%	0.945	66%	0.657	S	S	*	*			trans	-51.7	96	170	-106.3	-102.7	0	0	0	109.5	M21	M21-Y23 PolarHBondContact O-N 2.84Å
24	S	45.5	Very low	47.1	Very low	54 Å²	54	139.6 Å²	139.6	38%	0.378	67%	0.668	S	S	.	*			trans	-105.7	113.9	170.1	-145.6	0	0	0	0	106.4	S22 W26	S22-S24 VanDerWaalsContact C-N 3.34Å; S22-S24 PolarHBondContact O-N 2.87Å; S24-W26 PolarHBondContact O-N 3.12Å; S24-W26 VanDerWaalsContact OG-CD1 3.28Å
25	P	51.5	Low	47.8	Very low	97 Å²	97	134.3 Å²	134.3	63%	0.63	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-5.1	-171.9	-23.5	32.3	0	0	0	115.5
26	W	48.4	Very low	48.6	Very low	163 Å²	163	127.4 Å²	127.4	62%	0.617	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-21.5	-169	-43.7	106.6	0	0	0	114	S24 N28 M29 D30	S24-W26 PolarHBondContact O-N 3.12Å; S24-W26 VanDerWaalsContact OG-CD1 3.28Å; W26-N28 VanDerWaalsContact C-N 3.32Å; W26-N28 PolarHBondContact O-N 3.1Å; W26-M29 CarbonylContact O-C 3.56Å; W26-M29 WeakPolarHBondContact O-CA 3.35Å; W26-M29 WeakPolarHBondContact O-CB 2.95Å; W26-M29 PolarHBondContact O-N 2.79Å; W26-D30 PolarHBondContact O-N 2.85Å
27	W	48	Very low	49.7	Very low	188 Å²	188	126.9 Å²	126.9	71%	0.712	62%	0.619	S	S	*	*	H	α-helix	trans	-63	-35.3	-179.4	-83.1	101	0	0	0	113.8	R31	W27-R31 PolarHBondContact O-N 3.08Å
28	N	57.6	Low	51.2	Low	135 Å²	135	126.9 Å²	126.9	72%	0.722	62%	0.619	S	S	*	*	H	α-helix	trans	-72.7	-32.6	173.1	-75.8	-27.4	0	0	0	111.8	W26 M32	W26-N28 VanDerWaalsContact C-N 3.32Å; W26-N28 PolarHBondContact O-N 3.1Å; N28-M32 VanDerWaalsContact O-CB 3.31Å; N28-M32 WeakPolarHBondContact O-CB 3.49Å; N28-M32 PolarHBondContact O-N 2.61Å; N28-M32 VanDerWaalsContact O-N 3.09Å
29	M	54.2	Low	52.5	Low	80 Å²	80	120.1 Å²	120.1	39%	0.394	59%	0.589	S	S	.	*	H	α-helix	trans	-70.6	-44.2	175.6	-85.2	-75.4	-67.6	0	0	111.8	W26 R31 M32 M33	W26-M29 CarbonylContact O-C 3.56Å; W26-M29 WeakPolarHBondContact O-CA 3.35Å; W26-M29 WeakPolarHBondContact O-CB 2.95Å; W26-M29 PolarHBondContact O-N 2.79Å; M29-R31 VanDerWaalsContact C-N 3.33Å; M29-R31 PolarHBondContact O-N 3.29Å; M29-M32 CarbonylContact O-C 3.47Å; M29-M32 WeakPolarHBondContact O-CB 3.45Å; M29-M32 PolarHBondContact O-N 3.06Å; M29-M32 VanDerWaalsContact O-N 3.15Å; M29-M32 HydrophobicContact SD-CE 3.81Å; M29-M33 WeakPolarHBondContact O-CB 3.42Å; M29-M33 WeakPolarHBondContact O-CG 3.4Å; M29-M33 PolarHBondContact O-N 2.79Å
30	D	60	Low	52.9	Low	91 Å²	91	122.8 Å²	122.8	49%	0.487	60%	0.596	S	S	.	*	H	α-helix	trans	-63.8	-39.8	178.5	-77.3	-47.2	0	0	0	111.9	W26 M32 M33 R34	W26-D30 PolarHBondContact O-N 2.85Å; D30-M32 VanDerWaalsContact C-N 3.32Å; D30-M33 PolarHBondContact O-N 2.85Å; D30-R34 WeakPolarHBondContact O-CB 2.87Å; D30-R34 WeakPolarHBondContact O-CG 3.44Å; D30-R34 PolarHBondContact O-N 3.24Å
31	R	57.5	Low	54.2	Low	198 Å²	198	116.1 Å²	116.1	75%	0.747	58%	0.579	S	S	*	*	H	α-helix	trans	-65.6	-37.6	174.4	-165.6	177.1	-175.4	-174.2	1.7	111.6	W27 M29 A35	W27-R31 PolarHBondContact O-N 3.08Å; M29-R31 VanDerWaalsContact C-N 3.33Å; M29-R31 PolarHBondContact O-N 3.29Å; R31-A35 WeakPolarHBondContact O-CB 3.43Å; R31-A35 PolarHBondContact O-N 3.33Å; R31-A35 VanDerWaalsContact O-N 3.13Å
32	M	59	Low	55.2	Low	80 Å²	80	119.8 Å²	119.8	39%	0.394	59%	0.587	S	S	.	*	H	α-helix	trans	-69.4	-45.5	175.8	-169.2	173.4	85.7	0	0	111.6	N28 M29 D30 R34 A35 V36 M55	N28-M32 VanDerWaalsContact O-CB 3.31Å; N28-M32 WeakPolarHBondContact O-CB 3.49Å; N28-M32 PolarHBondContact O-N 2.61Å; N28-M32 VanDerWaalsContact O-N 3.09Å; M29-M32 CarbonylContact O-C 3.47Å; M29-M32 WeakPolarHBondContact O-CB 3.45Å; M29-M32 PolarHBondContact O-N 3.06Å; M29-M32 VanDerWaalsContact O-N 3.15Å; M29-M32 HydrophobicContact SD-CE 3.81Å; D30-M32 VanDerWaalsContact C-N 3.32Å; M32-R34 PolarHBondContact O-N 2.81Å; M32-A35 WeakPolarHBondContact O-CB 3.15Å; M32-A35 PolarHBondContact O-N 2.89Å; M32-A35 VanDerWaalsContact O-N 3.16Å; M32-V36 WeakPolarHBondContact O-CG2 3.4Å; M32-V36 PolarHBondContact O-N 2.98Å; M32-M55 HydrophobicContact CE-CE 4.01Å
33	M	61.9	Low	55.5	Low	101 Å²	101	119.1 Å²	119.1	50%	0.498	57%	0.574	S	S	.	*	H	α-helix	trans	-62.9	-41.5	177.8	-69.3	-68.5	-107.3	0	0	111.3	M29 D30 A35 V36 E37	M29-M33 WeakPolarHBondContact O-CB 3.42Å; M29-M33 WeakPolarHBondContact O-CG 3.4Å; M29-M33 PolarHBondContact O-N 2.79Å; D30-M33 PolarHBondContact O-N 2.85Å; M33-A35 VanDerWaalsContact C-N 3.34Å; M33-A35 PolarHBondContact O-N 2.8Å; M33-V36 WeakPolarHBondContact O-CB 3.47Å; M33-V36 PolarHBondContact O-N 2.86Å; M33-E37 VanDerWaalsContact O-CB 3.29Å; M33-E37 WeakPolarHBondContact O-CB 3.45Å; M33-E37 PolarHBondContact O-N 2.88Å
34	R	62.6	Low	56.1	Low	175 Å²	175	112.1 Å²	112.1	66%	0.66	56%	0.558	S	S	*	*	H	α-helix	trans	-64.9	-35.1	173.3	-75.5	-176.5	-170.4	-155.7	3.4	113.1	D30 M32 N38	D30-R34 WeakPolarHBondContact O-CB 2.87Å; D30-R34 WeakPolarHBondContact O-CG 3.44Å; D30-R34 PolarHBondContact O-N 3.24Å; M32-R34 PolarHBondContact O-N 2.81Å; R34-N38 VanDerWaalsContact O-CB 3.24Å; R34-N38 WeakPolarHBondContact O-CB 3.36Å; R34-N38 PolarHBondContact O-N 2.47Å; R34-N38 PolarHBondContact O-ND2 3.01Å
35	A	63	Low	56.4	Low	59 Å²	59	122.2 Å²	122.2	49%	0.488	59%	0.588	S	S	.	*	H	α-helix	trans	-67.3	-39.8	174.1	0	0	0	0	0	111.3	R31 M32 M33 S39	R31-A35 WeakPolarHBondContact O-CB 3.43Å; R31-A35 PolarHBondContact O-N 3.33Å; R31-A35 VanDerWaalsContact O-N 3.13Å; M32-A35 WeakPolarHBondContact O-CB 3.15Å; M32-A35 PolarHBondContact O-N 2.89Å; M32-A35 VanDerWaalsContact O-N 3.16Å; M33-A35 VanDerWaalsContact C-N 3.34Å; M33-A35 PolarHBondContact O-N 2.8Å; A35-S39 WeakPolarHBondContact O-CB 3.35Å; A35-S39 PolarHBondContact O-N 2.81Å; A35-S39 VanDerWaalsContact O-N 3.07Å; A35-S39 PolarHBondContact O-OG 3.23Å; A35-S39 VanDerWaalsContact O-OG 3.1Å
36	V	60	Low	56.3	Low	26 Å²	26	129.2 Å²	129.2	16%	0.158	60%	0.602	C	S	.	*	H	α-helix	trans	-62.4	-50.8	172.8	172.2	0	0	0	0	110.6	M32 M33 N38 S39 M40 W51	M32-V36 WeakPolarHBondContact O-CG2 3.4Å; M32-V36 PolarHBondContact O-N 2.98Å; M33-V36 WeakPolarHBondContact O-CB 3.47Å; M33-V36 PolarHBondContact O-N 2.86Å; V36-N38 PolarHBondContact O-N 3.11Å; V36-S39 WeakPolarHBondContact CA-OG 3.21Å; V36-S39 CarbonylContact O-C 3.25Å; V36-S39 WeakPolarHBondContact O-CA 3.24Å; V36-S39 PolarHBondContact O-N 3.01Å; V36-S39 PolarHBondContact O-OG 3.26Å; V36-M40 HydrophobicContact CG1-CG 4.08Å; V36-M40 HydrophobicContact CG1-SD 3.88Å; V36-M40 WeakPolarHBondContact O-CG 3.47Å; V36-M40 PolarHBondContact O-N 2.93Å; V36-W51 HydrophobicContact CB-CH2 4.22Å; V36-W51 HydrophobicContact CG1-CH2 3.74Å; V36-W51 HydrophobicContact CG1-CZ2 4.45Å; V36-W51 HydrophobicContact CG1-CZ3 4.45Å; V36-W51 HydrophobicContact CG2-CE3 4.32Å; V36-W51 HydrophobicContact CG2-CH2 3.45Å; V36-W51 VanDerWaalsContact CG2-CH2 3.45Å; V36-W51 HydrophobicContact CG2-CZ2 4.03Å; V36-W51 HydrophobicContact CG2-CZ3 3.6Å
37	E	60.2	Low	56.4	Low	144 Å²	144	124.7 Å²	124.7	67%	0.673	60%	0.595	S	S	*	*	H	α-helix	trans	-60.8	-42.8	-178.8	-164	167.8	-156	0	0	111.9	M33 S39	M33-E37 VanDerWaalsContact O-CB 3.29Å; M33-E37 WeakPolarHBondContact O-CB 3.45Å; M33-E37 PolarHBondContact O-N 2.88Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 2.8Å
38	N	66.3	Low	56.4	Low	130 Å²	130	123.7 Å²	123.7	70%	0.695	60%	0.598	S	S	*	*	H	α-helix	trans	-67.9	-23.3	173.5	-73.4	-18.4	0	0	0	113.4	R34 V36	R34-N38 VanDerWaalsContact O-CB 3.24Å; R34-N38 WeakPolarHBondContact O-CB 3.36Å; R34-N38 PolarHBondContact O-N 2.47Å; R34-N38 PolarHBondContact O-ND2 3.01Å; V36-N38 PolarHBondContact O-N 3.11Å
39	S	60.3	Low	56.3	Low	34 Å²	34	117.7 Å²	117.7	24%	0.238	57%	0.567	C	S	.	*	H	α-helix	trans	-95.8	-21.3	-178.4	74.6	0	0	0	0	114.3	A35 V36 E37 G41 Y42	A35-S39 WeakPolarHBondContact O-CB 3.35Å; A35-S39 PolarHBondContact O-N 2.81Å; A35-S39 VanDerWaalsContact O-N 3.07Å; A35-S39 PolarHBondContact O-OG 3.23Å; A35-S39 VanDerWaalsContact O-OG 3.1Å; V36-S39 WeakPolarHBondContact CA-OG 3.21Å; V36-S39 CarbonylContact O-C 3.25Å; V36-S39 WeakPolarHBondContact O-CA 3.24Å; V36-S39 PolarHBondContact O-N 3.01Å; V36-S39 PolarHBondContact O-OG 3.26Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 2.8Å; S39-G41 PolarHBondContact O-N 3.11Å; S39-Y42 PolarHBondContact O-N 2.79Å
40	M	52.9	Low	56	Low	143 Å²	143	118.7 Å²	118.7	70%	0.704	58%	0.58	S	S	*	*	H	α-helix	trans	-65.2	-22.9	179.3	-82.4	179.3	86.4	0	0	113	V36 Y42	V36-M40 HydrophobicContact CG1-CG 4.08Å; V36-M40 HydrophobicContact CG1-SD 3.88Å; V36-M40 WeakPolarHBondContact O-CG 3.47Å; V36-M40 PolarHBondContact O-N 2.93Å; M40-Y42 VanDerWaalsContact C-N 3.3Å; M40-Y42 PolarHBondContact O-N 2.82Å
41	G	59.5	Low	55.4	Low	63 Å²	63	118.7 Å²	118.7	65%	0.649	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-11.3	176.4	0	0	0	0	0	115.4	S39	S39-G41 PolarHBondContact O-N 3.11Å
42	Y	54.7	Low	54.8	Low	211 Å²	211	113.7 Å²	113.7	83%	0.827	56%	0.56	S	S	*	*	S	Bend	trans	-131.3	5.9	-171.7	-71	-81.1	0	0	0	114.9	S39 M40 P44	S39-Y42 PolarHBondContact O-N 2.79Å; M40-Y42 VanDerWaalsContact C-N 3.3Å; M40-Y42 PolarHBondContact O-N 2.82Å; Y42-P44 WeakPolarHBondContact O-CD 3.35Å
43	M	46.5	Very low	54.2	Low	88 Å²	88	113.3 Å²	113.3	43%	0.433	56%	0.56	S	S	.	*			trans	-87.3	121.4	-175.9	-82.4	-168.1	-176.2	0	0	113.8
44	P	48.6	Very low	53.6	Low	94 Å²	94	111.1 Å²	111.1	61%	0.61	56%	0.558	S	S	*	*			trans	-67.2	134.6	167.9	26.9	-29.1	0	0	0	109.4	Y42 R46 S47	Y42-P44 WeakPolarHBondContact O-CD 3.35Å; P44-R46 PolarHBondContact O-N 2.8Å; P44-S47 PolarHBondContact O-N 2.9Å; P44-S47 PolarHBondContact O-OG 3.17Å
45	R	52.6	Low	52.8	Low	267 Å²	267	107.7 Å²	107.7	100%	1.008	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	-0.6	-175.3	-81.9	-161.7	-174.2	-149.8	4.6	116.9
46	R	47.8	Very low	52.2	Low	244 Å²	244	106.8 Å²	106.8	92%	0.921	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-5.6	-169.7	-148.6	171.6	-173	168.6	1.5	115.4	P44	P44-R46 PolarHBondContact O-N 2.8Å
47	S	50.5	Low	51.8	Low	67 Å²	67	107.8 Å²	107.8	47%	0.469	54%	0.542	S	S	.	.	S	Bend	trans	-95.7	97.7	171.1	53.9	0	0	0	0	109	P44 A49	P44-S47 PolarHBondContact O-N 2.9Å; P44-S47 PolarHBondContact O-OG 3.17Å; S47-A49 PolarHBondContact O-N 2.73Å
48	Q	48.1	Very low	51.4	Low	168 Å²	168	102.6 Å²	102.6	79%	0.785	53%	0.528	S	S	*	.			trans	-57.9	109.5	169.4	-68.1	176.8	23	0	0	107.3	P50	Q48-P50 WeakPolarHBondContact O-CD 3.42Å
49	A	55.8	Low	51.1	Low	8 Å²	8	102.1 Å²	102.1	7%	0.066	52%	0.524	C	S	.	.			trans	-55.4	110.5	176.5	0	0	0	0	0	108.9	S47 W51 L52	S47-A49 PolarHBondContact O-N 2.73Å; A49-W51 HydrophobicContact CB-CD2 3.93Å; A49-W51 HydrophobicContact CB-CG 4.04Å; A49-W51 HydrophobicContact CB-CZ2 3.81Å; A49-W51 PolarHBondContact O-N 3.36Å; A49-L52 HydrophobicContact CB-CB 4.45Å; A49-L52 HydrophobicContact CB-CD1 3.78Å; A49-L52 HydrophobicContact CB-CG 3.81Å; A49-L52 WeakPolarHBondContact O-CB 3.42Å; A49-L52 PolarHBondContact O-N 2.97Å
50	P	48.8	Very low	52.1	Low	102 Å²	102	102.8 Å²	102.8	66%	0.662	53%	0.529	S	S	*	.	H	α-helix	trans	-60.9	-21.1	-177.8	-23.4	35.4	0	0	0	112.3	Q48 L52 N53 A54	Q48-P50 WeakPolarHBondContact O-CD 3.42Å; P50-L52 VanDerWaalsContact C-N 3.35Å; P50-N53 WeakPolarHBondContact O-CB 3.39Å; P50-N53 PolarHBondContact O-N 2.85Å; P50-A54 PolarHBondContact O-N 3.31Å
51	W	46.9	Very low	53.9	Low	91 Å²	91	100.5 Å²	100.5	35%	0.345	52%	0.516	S	S	.	.	H	α-helix	trans	-69.6	-25.2	172.5	59.1	-95.1	0	0	0	113.7	V36 A49 N53 A54 M55	V36-W51 HydrophobicContact CB-CH2 4.22Å; V36-W51 HydrophobicContact CG1-CH2 3.74Å; V36-W51 HydrophobicContact CG1-CZ2 4.45Å; V36-W51 HydrophobicContact CG1-CZ3 4.45Å; V36-W51 HydrophobicContact CG2-CE3 4.32Å; V36-W51 HydrophobicContact CG2-CH2 3.45Å; V36-W51 VanDerWaalsContact CG2-CH2 3.45Å; V36-W51 HydrophobicContact CG2-CZ2 4.03Å; V36-W51 HydrophobicContact CG2-CZ3 3.6Å; A49-W51 HydrophobicContact CB-CD2 3.93Å; A49-W51 HydrophobicContact CB-CG 4.04Å; A49-W51 HydrophobicContact CB-CZ2 3.81Å; A49-W51 PolarHBondContact O-N 3.36Å; W51-N53 VanDerWaalsContact C-N 3.27Å; W51-N53 PolarHBondContact O-N 2.87Å; W51-A54 WeakPolarHBondContact O-CB 3.42Å; W51-A54 PolarHBondContact O-N 2.9Å; W51-A54 VanDerWaalsContact O-N 3.1Å; W51-M55 HydrophobicContact CE3-SD 4.11Å; W51-M55 HydrophobicContact CZ3-SD 4.02Å; W51-M55 PolarHBondContact O-N 2.92Å
52	L	45.2	Very low	55.6	Low	92 Å²	92	101.3 Å²	101.3	48%	0.482	51%	0.505	S	S	.	.	H	α-helix	trans	-64.7	-34.4	169.6	-69.3	170.9	0	0	0	111	A49 P50 A54 M55 D56	A49-L52 HydrophobicContact CB-CB 4.45Å; A49-L52 HydrophobicContact CB-CD1 3.78Å; A49-L52 HydrophobicContact CB-CG 3.81Å; A49-L52 WeakPolarHBondContact O-CB 3.42Å; A49-L52 PolarHBondContact O-N 2.97Å; P50-L52 VanDerWaalsContact C-N 3.35Å; L52-A54 PolarHBondContact O-N 3.28Å; L52-M55 HydrophobicContact CD2-SD 4.13Å; L52-M55 WeakPolarHBondContact O-CB 3.43Å; L52-M55 PolarHBondContact O-N 2.88Å; L52-M55 VanDerWaalsContact O-N 3.14Å; L52-D56 PolarHBondContact O-N 2.81Å
53	N	46.6	Very low	57.5	Low	73 Å²	73	93.8 Å²	93.8	39%	0.39	48%	0.479	S	S	.	.	H	α-helix	trans	-70.6	-21.2	173.6	-63.2	-30.1	0	0	0	112.6	P50 W51 D56 Q77	P50-N53 WeakPolarHBondContact O-CB 3.39Å; P50-N53 PolarHBondContact O-N 2.85Å; W51-N53 VanDerWaalsContact C-N 3.27Å; W51-N53 PolarHBondContact O-N 2.87Å; N53-D56 WeakPolarHBondContact O-CB 3.1Å; N53-D56 PolarHBondContact O-N 2.91Å; N53-Q77 PolarHBondContact O-NE2 2.85Å
54	A	47.9	Very low	59.7	Low	55 Å²	55	93.8 Å²	93.8	46%	0.455	48%	0.481	S	S	.	.	H	α-helix	trans	-77.3	-24.3	171.7	0	0	0	0	0	112.1	P50 W51 L52 D56	P50-A54 PolarHBondContact O-N 3.31Å; W51-A54 WeakPolarHBondContact O-CB 3.42Å; W51-A54 PolarHBondContact O-N 2.9Å; W51-A54 VanDerWaalsContact O-N 3.1Å; L52-A54 PolarHBondContact O-N 3.28Å; A54-D56 VanDerWaalsContact C-N 3.27Å
55	M	47.1	Very low	61.7	Low	102 Å²	102	91.9 Å²	91.9	50%	0.502	47%	0.465	S	S	.	.	H	α-helix	trans	-75.8	-18.2	169.2	-57.6	177.7	106.8	0	0	112	M32 W51 L52 N57	M32-M55 HydrophobicContact CE-CE 4.01Å; W51-M55 HydrophobicContact CE3-SD 4.11Å; W51-M55 HydrophobicContact CZ3-SD 4.02Å; W51-M55 PolarHBondContact O-N 2.92Å; L52-M55 HydrophobicContact CD2-SD 4.13Å; L52-M55 WeakPolarHBondContact O-CB 3.43Å; L52-M55 PolarHBondContact O-N 2.88Å; L52-M55 VanDerWaalsContact O-N 3.14Å; M55-N57 PolarHBondContact O-N 2.84Å
56	D	49.1	Very low	63.5	Low	40 Å²	40	87 Å²	87	21%	0.214	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	8.6	176.5	-161	31.9	0	0	0	113.9	L52 N53 A54 G58 K76	L52-D56 PolarHBondContact O-N 2.81Å; N53-D56 WeakPolarHBondContact O-CB 3.1Å; N53-D56 PolarHBondContact O-N 2.91Å; A54-D56 VanDerWaalsContact C-N 3.27Å; D56-G58 PolarHBondContact O-N 2.79Å; D56-K76 IonicContact OD2-NZ 2.73Å; D56-K76 PolarHBondContact OD2-NZ 3Å
57	N	52.5	Low	65.6	Low	47 Å²	47	81.2 Å²	81.2	25%	0.251	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	24.7	165.3	-76.5	-10.8	0	0	0	112.4	M55 R114	M55-N57 PolarHBondContact O-N 2.84Å; N57-R114 PolarHBondContact O-NE 2.98Å; N57-R114 PolarHBondContact O-NH2 3.1Å
58	G	52.6	Low	67.6	Low	36 Å²	36	82 Å²	82	37%	0.371	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-39.9	-140.8	0	0	0	0	0	114.5	D56 S60 R114	D56-G58 PolarHBondContact O-N 2.79Å; G58-S60 PolarHBondContact O-N 3.3Å; G58-R114 PolarHBondContact O-NH2 2.89Å
59	L	59.7	Low	69.9	Low	120 Å²	120	74.2 Å²	74.2	63%	0.628	40%	0.398	S	S	*	.			trans	-72.7	93.9	-175.6	-65.7	178.3	0	0	0	110.2	D74	L59-D74 PolarHBondContact O-N 3.18Å
60	S	80.2	Confident	71.8	Confident	48 Å²	48	74.8 Å²	74.8	34%	0.336	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.8	163.3	55.1	0	0	0	0	111.4	G58 K72 R114 Y116	G58-S60 PolarHBondContact O-N 3.3Å; S60-K72 CarbonylContact C-O 3.58Å; S60-K72 WeakPolarHBondContact CA-O 3.35Å; S60-K72 WeakPolarHBondContact CB-O 3.43Å; S60-R114 PolarHBondContact OG-NH1 2.8Å; S60-Y116 WeakPolarHBondContact CB-OH 3.36Å; S60-Y116 PolarHBondContact OG-OH 2.93Å
61	E	91.8	Very high	74.1	Confident	94 Å²	94	70 Å²	70	44%	0.439	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131.5	163.2	-167.5	-174.7	177.1	0	0	108.1	I63 I71 K72	E61-I63 HydrophobicContact CG-CG1 4.31Å; E61-I71 CarbonylContact O-C 3.57Å; E61-I71 WeakPolarHBondContact O-CA 3.12Å; E61-K72 HydrophobicContact CB-CB 4.16Å; E61-K72 PolarHBondContact N-O 3.18Å; E61-K72 PolarHBondContact O-N 3.14Å; E61-K72 IonicContact OE1-NZ 3.97Å; E61-K72 WeakPolarHBondContact OE2-CD 3.45Å; E61-K72 WeakPolarHBondContact OE2-CE 3.22Å; E61-K72 IonicContact OE2-NZ 2.79Å; E61-K72 PolarHBondContact OE2-NZ 3.39Å
62	L	94	Very high	76.4	Confident	80 Å²	80	68.1 Å²	68.1	42%	0.419	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	117.6	175.1	-177.2	147.2	0	0	0	109	N64 F69 L70 I71 Y116	L62-N64 HydrophobicContact CD2-CB 4.03Å; L62-F69 HydrophobicContact CD1-CE2 3.85Å; L62-F69 HydrophobicContact CD1-CZ 3.82Å; L62-F69 HydrophobicContact CD2-CE2 3.97Å; L62-F69 HydrophobicContact CG-CE2 3.94Å; L62-F69 HydrophobicContact CG-CZ 4.32Å; L62-L70 WeakPolarHBondContact CA-O 3.5Å; L62-I71 HydrophobicContact CD1-CG1 4.39Å; L62-Y116 HydrophobicContact CD1-CD1 3.46Å; L62-Y116 VanDerWaalsContact CD1-CD1 3.46Å; L62-Y116 HydrophobicContact CD1-CE1 3.72Å; L62-Y116 HydrophobicContact CD1-CG 4.45Å
63	I	94.6	Very high	78.8	Confident	54 Å²	54	63.8 Å²	63.8	28%	0.277	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.9	176.3	-50.7	178.8	0	0	0	107.8	E61 F69 L70	E61-I63 HydrophobicContact CG-CG1 4.31Å; I63-F69 CarbonylContact O-C 3.48Å; I63-F69 WeakPolarHBondContact O-CA 3.42Å; I63-L70 HydrophobicContact CB-CB 4.12Å; I63-L70 HydrophobicContact CD1-CD2 3.92Å; I63-L70 PolarHBondContact N-O 2.98Å; I63-L70 PolarHBondContact O-N 3.32Å
64	N	93.9	Very high	81.1	Confident	88 Å²	88	62.1 Å²	62.1	47%	0.471	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	76.1	-176.7	-173.2	30.7	0	0	0	109.4	L62 F69 P119 K143	L62-N64 HydrophobicContact CD2-CB 4.03Å; N64-F69 HydrophobicContact CB-CD2 3.96Å; N64-F69 HydrophobicContact CB-CE2 4.31Å; N64-F69 WeakPolarHBondContact OD1-CD2 3.4Å; N64-P119 WeakPolarHBondContact OD1-CG 3.26Å; N64-K143 WeakPolarHBondContact OD1-CE 3.2Å; N64-K143 PolarHBondContact OD1-NZ 2.66Å
65	D	90.6	Very high	83.3	Confident	53 Å²	53	59.7 Å²	59.7	28%	0.283	31%	0.31	S	S	.	.			trans	-97.8	-168.5	-176.3	64	39.4	0	0	0	111.4	D67 K68 K143	D65-D67 VanDerWaalsContact C-N 3.3Å; D65-D67 WeakPolarHBondContact OD1-CA 3.32Å; D65-D67 PolarHBondContact OD1-N 3.23Å; D65-K68 PolarHBondContact N-O 2.69Å; D65-K68 VanDerWaalsContact N-O 3.12Å; D65-K68 WeakPolarHBondContact OD1-CG 3.45Å; D65-K68 PolarHBondContact OD1-N 2.77Å; D65-K68 WeakPolarHBondContact OD2-CE 3.39Å; D65-K68 WeakPolarHBondContact OD2-CG 3.21Å; D65-K143 WeakPolarHBondContact O-CD 3.38Å; D65-K143 WeakPolarHBondContact O-CE 3.35Å; D65-K143 PolarHBondContact O-NZ 2.87Å
66	K	89.7	Confident	85.6	Confident	165 Å²	165	59.9 Å²	59.9	72%	0.717	31%	0.308	S	S	*	.	S	Bend	trans	-74.4	-19.8	-179.9	-66.1	-177.9	-177.7	179.7	0	113.2	Y145	K66-Y145 WeakPolarHBondContact O-CD2 3.46Å; K66-Y145 WeakPolarHBondContact O-CE2 3.38Å
67	D	91	Very high	87.6	Confident	123 Å²	123	59.8 Å²	59.8	66%	0.658	31%	0.307	S	S	*	.	S	Bend	trans	-108.4	-27	-169.6	-56.2	-44.3	0	0	0	111.8	D65 K143	D65-D67 VanDerWaalsContact C-N 3.3Å; D65-D67 WeakPolarHBondContact OD1-CA 3.32Å; D65-D67 PolarHBondContact OD1-N 3.23Å; D67-K143 PolarHBondContact O-N 2.73Å
68	K	93.5	Very high	89.6	Confident	83 Å²	83	58 Å²	58	36%	0.361	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	162.1	-173.7	62.5	-173.2	176.2	-160.3	0	112.9	D65 L140 A141 K143	D65-K68 PolarHBondContact N-O 2.69Å; D65-K68 VanDerWaalsContact N-O 3.12Å; D65-K68 WeakPolarHBondContact OD1-CG 3.45Å; D65-K68 PolarHBondContact OD1-N 2.77Å; D65-K68 WeakPolarHBondContact OD2-CE 3.39Å; D65-K68 WeakPolarHBondContact OD2-CG 3.21Å; K68-L140 HydrophobicContact CB-CD1 3.92Å; K68-L140 HydrophobicContact CD-CD1 3.87Å; K68-L140 HydrophobicContact CG-CD1 4.38Å; K68-A141 CarbonylContact C-O 3.58Å; K68-A141 WeakPolarHBondContact CA-O 3.32Å; K68-K143 WeakPolarHBondContact O-CE 3.41Å
69	F	95.9	Very high	91.5	Very high	5 Å²	5	62 Å²	62	2%	0.022	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.7	165	179.6	-110.9	0	0	0	107.2	L62 I63 N64 I71 I92 L118 P119 V122 A141	L62-F69 HydrophobicContact CD1-CE2 3.85Å; L62-F69 HydrophobicContact CD1-CZ 3.82Å; L62-F69 HydrophobicContact CD2-CE2 3.97Å; L62-F69 HydrophobicContact CG-CE2 3.94Å; L62-F69 HydrophobicContact CG-CZ 4.32Å; I63-F69 CarbonylContact O-C 3.48Å; I63-F69 WeakPolarHBondContact O-CA 3.42Å; N64-F69 HydrophobicContact CB-CD2 3.96Å; N64-F69 HydrophobicContact CB-CE2 4.31Å; N64-F69 WeakPolarHBondContact OD1-CD2 3.4Å; F69-I71 HydrophobicContact CD1-CD1 4.47Å; F69-I71 HydrophobicContact CE1-CD1 3.64Å; F69-I71 HydrophobicContact CE1-CG1 3.97Å; F69-I71 HydrophobicContact CZ-CD1 4.11Å; F69-I71 HydrophobicContact CZ-CG1 4.18Å; F69-I92 HydrophobicContact CD1-CD1 4.32Å; F69-I92 HydrophobicContact CE1-CD1 4.09Å; F69-L118 HydrophobicContact CD1-CD2 4.44Å; F69-L118 HydrophobicContact CE1-CD2 4.49Å; F69-P119 HydrophobicContact CB-CG 4.14Å; F69-P119 HydrophobicContact CD1-CG 4.44Å; F69-P119 HydrophobicContact CD2-CG 3.45Å; F69-P119 VanDerWaalsContact CD2-CG 3.45Å; F69-P119 HydrophobicContact CE2-CG 3.83Å; F69-P119 HydrophobicContact CG-CG 3.78Å; F69-P119 HydrophobicContact CZ-CG 4.47Å; F69-V122 HydrophobicContact CB-CG2 4.17Å; F69-A141 HydrophobicContact CB-CB 4.06Å; F69-A141 HydrophobicContact CD1-CB 4.2Å; F69-A141 PolarHBondContact N-O 3.46Å; F69-A141 PolarHBondContact O-N 3.21Å
70	L	96.8	Very high	93.2	Very high	19 Å²	19	60.1 Å²	60.1	10%	0.099	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.5	-174.7	-171.2	76.8	0	0	0	109.2	L62 I63 K72 T138 I139 L140	L62-L70 WeakPolarHBondContact CA-O 3.5Å; I63-L70 HydrophobicContact CB-CB 4.12Å; I63-L70 HydrophobicContact CD1-CD2 3.92Å; I63-L70 PolarHBondContact N-O 2.98Å; I63-L70 PolarHBondContact O-N 3.32Å; L70-K72 HydrophobicContact CD2-CG 4.35Å; L70-K72 HydrophobicContact CG-CG 4.47Å; L70-T138 HydrophobicContact CD1-CG2 3.62Å; L70-T138 HydrophobicContact CG-CG2 4.43Å; L70-I139 CarbonylContact C-O 3.59Å; L70-I139 WeakPolarHBondContact CA-O 3.42Å; L70-L140 HydrophobicContact CD1-CB 3.97Å; L70-L140 HydrophobicContact CD1-CD1 3.72Å; L70-L140 HydrophobicContact CD1-CG 4.46Å
71	I	96.6	Very high	94	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.9	170.7	-59.5	158.8	0	0	0	106.8	E61 L62 F69 I92 I94 Y116 T138 I139	E61-I71 CarbonylContact O-C 3.57Å; E61-I71 WeakPolarHBondContact O-CA 3.12Å; L62-I71 HydrophobicContact CD1-CG1 4.39Å; F69-I71 HydrophobicContact CD1-CD1 4.47Å; F69-I71 HydrophobicContact CE1-CD1 3.64Å; F69-I71 HydrophobicContact CE1-CG1 3.97Å; F69-I71 HydrophobicContact CZ-CD1 4.11Å; F69-I71 HydrophobicContact CZ-CG1 4.18Å; I71-I92 HydrophobicContact CD1-CD1 4.07Å; I71-I94 HydrophobicContact CG2-CD1 4.39Å; I71-Y116 HydrophobicContact CD1-CD1 4.33Å; I71-Y116 HydrophobicContact CD1-CD2 3.56Å; I71-Y116 HydrophobicContact CD1-CE2 4.14Å; I71-Y116 HydrophobicContact CD1-CG 3.66Å; I71-Y116 HydrophobicContact CG1-CD2 4.4Å; I71-Y116 HydrophobicContact CG1-CG 4.37Å; I71-Y116 HydrophobicContact CG2-CD2 4.49Å; I71-Y116 HydrophobicContact CG2-CE2 3.96Å; I71-T138 CarbonylContact O-C 3.54Å; I71-T138 WeakPolarHBondContact O-CA 3.5Å; I71-I139 HydrophobicContact CB-CB 4.29Å; I71-I139 PolarHBondContact N-O 3.42Å; I71-I139 PolarHBondContact O-N 3.28Å
72	K	96.1	Very high	94.2	Very high	52 Å²	52	62 Å²	62	23%	0.226	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.7	165.6	-54.9	-175	-163.4	151.7	0	108.6	S60 E61 L70 Q136 L137 T138	S60-K72 CarbonylContact C-O 3.58Å; S60-K72 WeakPolarHBondContact CA-O 3.35Å; S60-K72 WeakPolarHBondContact CB-O 3.43Å; E61-K72 HydrophobicContact CB-CB 4.16Å; E61-K72 PolarHBondContact N-O 3.18Å; E61-K72 PolarHBondContact O-N 3.14Å; E61-K72 IonicContact OE1-NZ 3.97Å; E61-K72 WeakPolarHBondContact OE2-CD 3.45Å; E61-K72 WeakPolarHBondContact OE2-CE 3.22Å; E61-K72 IonicContact OE2-NZ 2.79Å; E61-K72 PolarHBondContact OE2-NZ 3.39Å; L70-K72 HydrophobicContact CD2-CG 4.35Å; L70-K72 HydrophobicContact CG-CG 4.47Å; K72-Q136 HydrophobicContact CB-CG 4.3Å; K72-L137 CarbonylContact C-O 3.55Å; K72-L137 VanDerWaalsContact CA-O 3.32Å; K72-L137 WeakPolarHBondContact CA-O 3.41Å; K72-T138 HydrophobicContact CG-CG2 4.45Å
73	L	95.5	Very high	94.4	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	129.7	-178.9	-179.4	67.5	0	0	0	109.8	V75 I94 F112 Q136 L137	L73-V75 HydrophobicContact CB-CG1 4.37Å; L73-V75 HydrophobicContact CD2-CG1 3.59Å; L73-V75 HydrophobicContact CG-CG1 3.71Å; L73-V75 PolarHBondContact O-N 2.71Å; L73-I94 HydrophobicContact CD2-CD1 4.41Å; L73-I94 HydrophobicContact CD2-CG2 4.29Å; L73-F112 HydrophobicContact CD2-CE2 3.64Å; L73-F112 HydrophobicContact CD2-CZ 3.69Å; L73-Q136 CarbonylContact O-C 3.55Å; L73-Q136 WeakPolarHBondContact O-CA 3.24Å; L73-L137 HydrophobicContact CB-CB 4.44Å; L73-L137 PolarHBondContact N-O 2.99Å; L73-L137 PolarHBondContact O-N 2.86Å
74	D	94.3	Very high	94.5	Very high	38 Å²	38	59.8 Å²	59.8	20%	0.203	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	119.3	167.6	-171.9	-13.9	0	0	0	109.7	L59 K76	L59-D74 PolarHBondContact O-N 3.18Å; D74-K76 WeakPolarHBondContact OD1-CB 3.47Å; D74-K76 WeakPolarHBondContact OD1-CD 3.16Å; D74-K76 VanDerWaalsContact OD1-CG 3.25Å; D74-K76 WeakPolarHBondContact OD1-CG 3.49Å; D74-K76 PolarHBondContact OD1-N 2.78Å; D74-K76 WeakPolarHBondContact OD2-CD 3.34Å; D74-K76 WeakPolarHBondContact OD2-CE 3.39Å; D74-K76 IonicContact OD2-NZ 3.59Å; D74-K76 PolarHBondContact OD2-NZ 2.94Å
75	V	94.7	Very high	94.7	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.018	29%	0.287	C	S	.	.			trans	-131.7	27.2	178.5	-61.9	0	0	0	0	111.2	L73 Q77 F78 M83 F112 M131 G135 L137	L73-V75 HydrophobicContact CB-CG1 4.37Å; L73-V75 HydrophobicContact CD2-CG1 3.59Å; L73-V75 HydrophobicContact CG-CG1 3.71Å; L73-V75 PolarHBondContact O-N 2.71Å; V75-Q77 PolarHBondContact O-N 3.32Å; V75-F78 HydrophobicContact CB-CD2 4.28Å; V75-F78 PolarHBondContact O-N 3.4Å; V75-M83 HydrophobicContact CB-CE 4.49Å; V75-M83 HydrophobicContact CB-SD 4.39Å; V75-M83 HydrophobicContact CG1-CE 3.94Å; V75-M83 HydrophobicContact CG1-SD 4.37Å; V75-F112 HydrophobicContact CG1-CE1 4.33Å; V75-F112 HydrophobicContact CG1-CZ 3.89Å; V75-M131 HydrophobicContact CG2-CE 3.72Å; V75-M131 HydrophobicContact CG2-CG 4.49Å; V75-M131 HydrophobicContact CG2-SD 4.11Å; V75-G135 CarbonylContact C-O 3.54Å; V75-G135 VanDerWaalsContact C-O 3.25Å; V75-G135 WeakPolarHBondContact CA-O 3.41Å; V75-G135 WeakPolarHBondContact CG2-O 3.43Å; V75-G135 PolarHBondContact N-O 2.92Å; V75-L137 HydrophobicContact CG1-CB 4.22Å; V75-L137 HydrophobicContact CG2-CB 3.74Å
76	K	93.6	Very high	95	Very high	107 Å²	107	60.7 Å²	60.7	47%	0.465	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-19.3	-178.4	69.3	-164.1	168.1	-141.6	0	115.2	D56 D74 F78 G135	D56-K76 IonicContact OD2-NZ 2.73Å; D56-K76 PolarHBondContact OD2-NZ 3Å; D74-K76 WeakPolarHBondContact OD1-CB 3.47Å; D74-K76 WeakPolarHBondContact OD1-CD 3.16Å; D74-K76 VanDerWaalsContact OD1-CG 3.25Å; D74-K76 WeakPolarHBondContact OD1-CG 3.49Å; D74-K76 PolarHBondContact OD1-N 2.78Å; D74-K76 WeakPolarHBondContact OD2-CD 3.34Å; D74-K76 WeakPolarHBondContact OD2-CE 3.39Å; D74-K76 IonicContact OD2-NZ 3.59Å; D74-K76 PolarHBondContact OD2-NZ 2.94Å; K76-F78 VanDerWaalsContact C-N 3.32Å; K76-G135 PolarHBondContact N-O 3.33Å; K76-G135 VanDerWaalsContact N-O 3.11Å
77	Q	91.8	Very high	95.3	Very high	38 Å²	38	55.9 Å²	55.9	18%	0.178	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	3.1	179.1	-54.7	-175.3	38.3	0	0	113.3	N53 V75	N53-Q77 PolarHBondContact O-NE2 2.85Å; V75-Q77 PolarHBondContact O-N 3.32Å
78	F	94.2	Very high	95.5	Very high	10 Å²	10	52.8 Å²	52.8	4%	0.044	27%	0.266	C	S	.	.	S	Bend	trans	-124.3	146.7	-179.2	-63.5	-90.7	0	0	0	110.8	V75 K76 E82 M83 H98 R110 F112 M131	V75-F78 HydrophobicContact CB-CD2 4.28Å; V75-F78 PolarHBondContact O-N 3.4Å; K76-F78 VanDerWaalsContact C-N 3.32Å; F78-E82 HydrophobicContact CB-CB 4.48Å; F78-E82 HydrophobicContact CD1-CB 4.39Å; F78-M83 HydrophobicContact CB-CG 3.96Å; F78-M83 HydrophobicContact CB-SD 3.67Å; F78-M83 HydrophobicContact CD1-SD 4.17Å; F78-M83 HydrophobicContact CD2-SD 4.35Å; F78-M83 HydrophobicContact CG-SD 3.8Å; F78-H98 HydrophobicContact CD1-CB 4.07Å; F78-H98 HydrophobicContact CE1-CB 3.94Å; F78-R110 HydrophobicContact CE1-CB 4.03Å; F78-R110 HydrophobicContact CZ-CB 3.73Å; F78-F112 HydrophobicContact CD2-CD1 4.45Å; F78-F112 AromaticContact CD2-CE1 3.89Å; F78-F112 HydrophobicContact CD2-CE1 3.89Å; F78-F112 HydrophobicContact CE1-CD1 4.14Å; F78-F112 HydrophobicContact CE1-CE1 4.25Å; F78-F112 AromaticContact CE2-CD1 3.64Å; F78-F112 HydrophobicContact CE2-CD1 3.64Å; F78-F112 AromaticContact CE2-CE1 3.51Å; F78-F112 HydrophobicContact CE2-CE1 3.51Å; F78-F112 HydrophobicContact CG-CE1 4.43Å; F78-F112 AromaticContact CZ-CD1 3.46Å; F78-F112 HydrophobicContact CZ-CD1 3.46Å; F78-F112 VanDerWaalsContact CZ-CD1 3.46Å; F78-F112 AromaticContact CZ-CE1 3.72Å; F78-F112 HydrophobicContact CZ-CE1 3.72Å; F78-M131 WeakPolarHBondContact O-CE 3.49Å
79	K	93.5	Very high	95.5	Very high	118 Å²	118	55.3 Å²	55.3	51%	0.513	28%	0.284	S	S	.	.			trans	-82.6	157.2	167.7	-60.2	-174.4	178.1	-171.4	0	111	E81 E82 M83	K79-E81 WeakPolarHBondContact CB-OE2 3.37Å; K79-E81 PolarHBondContact O-N 2.9Å; K79-E82 HydrophobicContact CB-CB 4.46Å; K79-E82 HydrophobicContact CB-CG 4.11Å; K79-E82 PolarHBondContact N-OE2 3.01Å; K79-E82 WeakPolarHBondContact O-CA 3.37Å; K79-E82 WeakPolarHBondContact O-CB 3.4Å; K79-E82 PolarHBondContact O-N 2.84Å; K79-M83 WeakPolarHBondContact O-CG 3.25Å
80	P	95.4	Very high	95.3	Very high	82 Å²	82	59.5 Å²	59.5	53%	0.532	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-54	-36.1	174.9	-26.7	35.4	0	0	0	113.6	E82 M83 M131	P80-E82 VanDerWaalsContact C-N 3.26Å; P80-E82 PolarHBondContact O-N 2.84Å; P80-M83 PolarHBondContact O-N 3.25Å; P80-M131 HydrophobicContact CB-SD 4.26Å; P80-M131 HydrophobicContact CG-SD 3.94Å
81	E	96.5	Very high	95.3	Very high	156 Å²	156	63 Å²	63	73%	0.729	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-75.2	-14.7	178.9	-50.4	80.5	-172.9	0	0	113.4	K79 M83	K79-E81 WeakPolarHBondContact CB-OE2 3.37Å; K79-E81 PolarHBondContact O-N 2.9Å; E81-M83 VanDerWaalsContact C-N 3.29Å
82	E	96.4	Very high	95.3	Very high	26 Å²	26	63 Å²	63	12%	0.121	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-89	0.4	176.5	-67.4	175.4	165	0	0	111.9	F78 K79 P80 G96 K97 H98 K101	F78-E82 HydrophobicContact CB-CB 4.48Å; F78-E82 HydrophobicContact CD1-CB 4.39Å; K79-E82 HydrophobicContact CB-CB 4.46Å; K79-E82 HydrophobicContact CB-CG 4.11Å; K79-E82 PolarHBondContact N-OE2 3.01Å; K79-E82 WeakPolarHBondContact O-CA 3.37Å; K79-E82 WeakPolarHBondContact O-CB 3.4Å; K79-E82 PolarHBondContact O-N 2.84Å; P80-E82 VanDerWaalsContact C-N 3.26Å; P80-E82 PolarHBondContact O-N 2.84Å; E82-G96 CarbonylContact O-C 3.51Å; E82-G96 WeakPolarHBondContact O-CA 3.39Å; E82-K97 VanDerWaalsContact CB-O 3.31Å; E82-K97 WeakPolarHBondContact CB-O 3.28Å; E82-K97 PolarHBondContact O-N 3.41Å; E82-H98 VanDerWaalsContact CD-ND1 3.31Å; E82-H98 IonicContact OE1-CE1 3.92Å; E82-H98 IonicContact OE1-CG 3.79Å; E82-H98 IonicContact OE1-ND1 2.9Å; E82-H98 PolarHBondContact OE1-ND1 2.83Å; E82-H98 VanDerWaalsContact OE1-ND1 3.08Å; E82-H98 IonicContact OE2-CE1 2.77Å; E82-H98 IonicContact OE2-CG 3.08Å; E82-H98 IonicContact OE2-ND1 2.7Å; E82-H98 PolarHBondContact OE2-ND1 3.44Å; E82-K101 IonicContact OE1-NZ 3.72Å; E82-K101 PolarHBondContact OE1-NZ 3.35Å
83	M	97.1	Very high	95.4	Very high	29 Å²	29	62.1 Å²	62.1	14%	0.143	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.2	-173.4	-68.5	-60.6	-55.3	0	0	111.6	V75 F78 K79 P80 E81 I94 H95 G96 F112 L137	V75-M83 HydrophobicContact CB-CE 4.49Å; V75-M83 HydrophobicContact CB-SD 4.39Å; V75-M83 HydrophobicContact CG1-CE 3.94Å; V75-M83 HydrophobicContact CG1-SD 4.37Å; F78-M83 HydrophobicContact CB-CG 3.96Å; F78-M83 HydrophobicContact CB-SD 3.67Å; F78-M83 HydrophobicContact CD1-SD 4.17Å; F78-M83 HydrophobicContact CD2-SD 4.35Å; F78-M83 HydrophobicContact CG-SD 3.8Å; K79-M83 WeakPolarHBondContact O-CG 3.25Å; P80-M83 PolarHBondContact O-N 3.25Å; E81-M83 VanDerWaalsContact C-N 3.29Å; M83-I94 HydrophobicContact CE-CG2 3.77Å; M83-H95 CarbonylContact C-O 3.54Å; M83-G96 VanDerWaalsContact SD-CA 3.52Å; M83-F112 HydrophobicContact CE-CE1 4.16Å; M83-F112 HydrophobicContact CE-CZ 3.7Å; M83-F112 HydrophobicContact SD-CE1 4.03Å; M83-F112 HydrophobicContact SD-CZ 4.19Å; M83-L137 HydrophobicContact CE-CD2 3.95Å
84	S	97.4	Very high	95.4	Very high	58 Å²	58	62 Å²	62	41%	0.406	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.9	173.9	-173.3	0	0	0	0	110.7	I94 H95	S84-I94 CarbonylContact O-C 3.55Å; S84-I94 WeakPolarHBondContact O-CA 3.5Å; S84-H95 PolarHBondContact N-O 2.94Å; S84-H95 PolarHBondContact O-N 2.96Å
85	V	97.4	Very high	95.6	Very high	47 Å²	47	62.9 Å²	62.9	29%	0.285	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.6	172	-178.8	0	0	0	0	107.7	I92 I93 I94 L137 I139	V85-I92 HydrophobicContact CG1-CG2 3.97Å; V85-I93 WeakPolarHBondContact CA-O 3.45Å; V85-I94 HydrophobicContact CG2-CG2 4.43Å; V85-L137 HydrophobicContact CG2-CD1 4.42Å; V85-L137 HydrophobicContact CG2-CD2 4.03Å; V85-I139 HydrophobicContact CG1-CD1 3.72Å; V85-I139 HydrophobicContact CG1-CG1 4.42Å; V85-I139 HydrophobicContact CG2-CD1 3.98Å
86	K	97.1	Very high	95.7	Very high	113 Å²	113	62.7 Å²	62.7	49%	0.491	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	160.5	178	67.2	-177.7	-179.5	-177.5	0	111.7	I92 I93	K86-I92 WeakPolarHBondContact O-CA 3.36Å; K86-I93 HydrophobicContact CG-CB 3.88Å; K86-I93 HydrophobicContact CG-CG2 4.48Å; K86-I93 PolarHBondContact N-O 3.37Å; K86-I93 PolarHBondContact O-N 3.45Å
87	T	96.6	Very high	95.8	Very high	64 Å²	64	61.4 Å²	61.4	39%	0.393	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.5	172.7	50.8	0	0	0	0	110.2	R91 I92 P124 I127	T87-R91 CarbonylContact C-O 3.58Å; T87-R91 VanDerWaalsContact CA-O 3.22Å; T87-R91 WeakPolarHBondContact CA-O 3.42Å; T87-I92 HydrophobicContact CG2-CG1 4.39Å; T87-P124 HydrophobicContact CG2-CB 4.29Å; T87-I127 HydrophobicContact CG2-CD1 3.7Å
88	T	95	Very high	96	Very high	57 Å²	57	60.7 Å²	60.7	35%	0.35	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	137.8	178.5	-49.1	0	0	0	0	108.8	N90 R91	T88-N90 VanDerWaalsContact C-N 3.3Å; T88-N90 PolarHBondContact O-N 3.22Å; T88-R91 PolarHBondContact N-O 3.24Å; T88-R91 WeakPolarHBondContact O-CB 3.33Å; T88-R91 PolarHBondContact O-N 3.03Å
89	D	93	Very high	96.1	Very high	137 Å²	137	64.5 Å²	64.5	73%	0.733	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	46.8	175.9	-55.1	-32	0	0	0	114.5	R91	D89-R91 PolarHBondContact O-N 3.43Å
90	N	93.1	Very high	96.2	Very high	92 Å²	92	65 Å²	65	49%	0.492	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	30.9	-178.1	-158.5	66.3	0	0	0	113.9	T88 L118	T88-N90 VanDerWaalsContact C-N 3.3Å; T88-N90 PolarHBondContact O-N 3.22Å; N90-L118 PolarHBondContact ND2-O 2.84Å; N90-L118 VanDerWaalsContact ND2-O 3.17Å; N90-L118 WeakPolarHBondContact O-CB 3.29Å; N90-L118 PolarHBondContact O-N 3.46Å
91	R	96.2	Very high	96.1	Very high	94 Å²	94	65.2 Å²	65.2	36%	0.355	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.6	175.3	-62	170.3	179.1	-176.3	8	111.2	T87 T88 D89 I93 S115 Y116 W117	T87-R91 CarbonylContact C-O 3.58Å; T87-R91 VanDerWaalsContact CA-O 3.22Å; T87-R91 WeakPolarHBondContact CA-O 3.42Å; T88-R91 PolarHBondContact N-O 3.24Å; T88-R91 WeakPolarHBondContact O-CB 3.33Å; T88-R91 PolarHBondContact O-N 3.03Å; D89-R91 PolarHBondContact O-N 3.43Å; R91-I93 HydrophobicContact CB-CG1 4.48Å; R91-S115 WeakPolarHBondContact CD-OG 3.21Å; R91-Y116 CarbonylContact C-O 3.58Å; R91-Y116 WeakPolarHBondContact CA-O 3.42Å; R91-Y116 WeakPolarHBondContact CB-O 3.4Å; R91-W117 HydrophobicContact CG-CD2 3.83Å; R91-W117 HydrophobicContact CG-CE3 3.34Å; R91-W117 HydrophobicContact CG-CH2 4.47Å; R91-W117 HydrophobicContact CG-CZ3 3.68Å; R91-W117 VanDerWaalsContact CZ-CZ2 3.44Å; R91-W117 VanDerWaalsContact NE-CZ2 3.25Å
92	I	96.9	Very high	96	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.1	160.6	-58.7	176.5	0	0	0	107	F69 I71 V85 K86 T87 I94 S115 Y116 L118 I127 I139	F69-I92 HydrophobicContact CD1-CD1 4.32Å; F69-I92 HydrophobicContact CE1-CD1 4.09Å; I71-I92 HydrophobicContact CD1-CD1 4.07Å; V85-I92 HydrophobicContact CG1-CG2 3.97Å; K86-I92 WeakPolarHBondContact O-CA 3.36Å; T87-I92 HydrophobicContact CG2-CG1 4.39Å; I92-I94 HydrophobicContact CG2-CG1 4.23Å; I92-S115 CarbonylContact O-C 3.58Å; I92-S115 VanDerWaalsContact O-CA 3.28Å; I92-S115 WeakPolarHBondContact O-CA 3.46Å; I92-Y116 PolarHBondContact N-O 3.1Å; I92-Y116 PolarHBondContact O-N 3.07Å; I92-L118 HydrophobicContact CD1-CD2 3.56Å; I92-L118 HydrophobicContact CG1-CD2 3.48Å; I92-L118 VanDerWaalsContact CG1-CD2 3.48Å; I92-L118 HydrophobicContact CG1-CG 4.08Å; I92-I127 HydrophobicContact CD1-CD1 4Å; I92-I127 HydrophobicContact CD1-CG2 4.33Å; I92-I127 HydrophobicContact CG1-CD1 4.07Å; I92-I139 HydrophobicContact CD1-CG2 3.91Å; I92-I139 HydrophobicContact CG2-CD1 3.93Å; I92-I139 HydrophobicContact CG2-CG2 4.48Å
93	I	97	Very high	95.7	Very high	33 Å²	33	68.4 Å²	68.4	17%	0.169	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.9	176.8	-56.7	170.2	0	0	0	107.4	V85 K86 R91 T113 R114	V85-I93 WeakPolarHBondContact CA-O 3.45Å; K86-I93 HydrophobicContact CG-CB 3.88Å; K86-I93 HydrophobicContact CG-CG2 4.48Å; K86-I93 PolarHBondContact N-O 3.37Å; K86-I93 PolarHBondContact O-N 3.45Å; R91-I93 HydrophobicContact CB-CG1 4.48Å; I93-T113 HydrophobicContact CG2-CG2 3.94Å; I93-R114 WeakPolarHBondContact CA-O 3.38Å
94	I	97	Very high	95.4	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.4	176	-50.4	172	0	0	0	106.8	I71 L73 M83 S84 V85 I92 F112 T113 R114 Y116 L137 I139	I71-I94 HydrophobicContact CG2-CD1 4.39Å; L73-I94 HydrophobicContact CD2-CD1 4.41Å; L73-I94 HydrophobicContact CD2-CG2 4.29Å; M83-I94 HydrophobicContact CE-CG2 3.77Å; S84-I94 CarbonylContact O-C 3.55Å; S84-I94 WeakPolarHBondContact O-CA 3.5Å; V85-I94 HydrophobicContact CG2-CG2 4.43Å; I92-I94 HydrophobicContact CG2-CG1 4.23Å; I94-F112 HydrophobicContact CG2-CE2 4.01Å; I94-F112 HydrophobicContact CG2-CZ 4.21Å; I94-T113 CarbonylContact O-C 3.57Å; I94-T113 VanDerWaalsContact O-CA 3.31Å; I94-T113 WeakPolarHBondContact O-CA 3.46Å; I94-R114 HydrophobicContact CB-CB 4.4Å; I94-R114 PolarHBondContact N-O 3.4Å; I94-R114 PolarHBondContact O-N 2.83Å; I94-Y116 HydrophobicContact CD1-CD2 4.31Å; I94-Y116 HydrophobicContact CD1-CE2 3.95Å; I94-L137 HydrophobicContact CD1-CD2 4.32Å; I94-L137 HydrophobicContact CG2-CD2 3.65Å; I94-I139 HydrophobicContact CD1-CD1 3.39Å; I94-I139 HydrophobicContact CG1-CD1 3.58Å
95	H	97.2	Very high	95.1	Very high	56 Å²	56	75.8 Å²	75.8	26%	0.259	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.9	176.6	178.4	-121.6	0	0	0	108.7	M83 S84 E111 F112 T113	M83-H95 CarbonylContact C-O 3.54Å; S84-H95 PolarHBondContact N-O 2.94Å; S84-H95 PolarHBondContact O-N 2.96Å; H95-E111 IonicContact CD2-OE1 3.98Å; H95-E111 IonicContact CE1-OE1 2.83Å; H95-E111 IonicContact NE2-OE1 3.94Å; H95-E111 PolarHBondContact NE2-OE1 2.86Å; H95-F112 WeakPolarHBondContact CA-O 3.46Å; H95-F112 PolarHBondContact CD2-O 2.99Å; H95-F112 VanDerWaalsContact CD2-O 3.25Å; H95-T113 PolarHBondContact CD2-OG1 3.31Å
96	G	96.7	Very high	95	Very high	0 Å²	0	75 Å²	75	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.2	172.9	0	0	0	0	0	109.1	E82 M83 E111 F112	E82-G96 CarbonylContact O-C 3.51Å; E82-G96 WeakPolarHBondContact O-CA 3.39Å; M83-G96 VanDerWaalsContact SD-CA 3.52Å; G96-E111 CarbonylContact O-C 3.54Å; G96-E111 VanDerWaalsContact O-CA 3.26Å; G96-E111 WeakPolarHBondContact O-CA 3.37Å; G96-F112 PolarHBondContact N-O 2.96Å; G96-F112 PolarHBondContact O-N 3.09Å
97	K	97.1	Very high	94.8	Very high	79 Å²	79	77.2 Å²	77.2	34%	0.343	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	108.5	-178.2	-166	-171.8	-169.3	-154.7	0	111.3	E82 E99 E111	E82-K97 VanDerWaalsContact CB-O 3.31Å; E82-K97 WeakPolarHBondContact CB-O 3.28Å; E82-K97 PolarHBondContact O-N 3.41Å; K97-E99 WeakPolarHBondContact CE-OE1 3.31Å; K97-E99 IonicContact NZ-OE1 2.67Å; K97-E99 PolarHBondContact NZ-OE1 3.25Å; K97-E111 HydrophobicContact CB-CG 4.46Å; K97-E111 HydrophobicContact CG-CG 4.21Å
98	H	95.7	Very high	94.6	Very high	24 Å²	24	75.9 Å²	75.9	11%	0.111	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	108.8	172	-172.8	87.9	0	0	0	109	F78 E82 K109 R110	F78-H98 HydrophobicContact CD1-CB 4.07Å; F78-H98 HydrophobicContact CE1-CB 3.94Å; E82-H98 VanDerWaalsContact CD-ND1 3.31Å; E82-H98 IonicContact OE1-CE1 3.92Å; E82-H98 IonicContact OE1-CG 3.79Å; E82-H98 IonicContact OE1-ND1 2.9Å; E82-H98 PolarHBondContact OE1-ND1 2.83Å; E82-H98 VanDerWaalsContact OE1-ND1 3.08Å; E82-H98 IonicContact OE2-CE1 2.77Å; E82-H98 IonicContact OE2-CG 3.08Å; E82-H98 IonicContact OE2-ND1 2.7Å; E82-H98 PolarHBondContact OE2-ND1 3.44Å; H98-K109 WeakPolarHBondContact O-CG 3.42Å; H98-R110 HydrophobicContact CB-CB 4.05Å; H98-R110 PolarHBondContact N-O 3.42Å; H98-R110 PolarHBondContact O-N 3.03Å; H98-R110 VanDerWaalsContact O-O 3.14Å
99	E	96.5	Very high	94.6	Very high	89 Å²	89	79.1 Å²	79.1	42%	0.416	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	157.1	173.8	-65.8	-61.8	169.3	0	0	111.4	K97 K101	K97-E99 WeakPolarHBondContact CE-OE1 3.31Å; K97-E99 IonicContact NZ-OE1 2.67Å; K97-E99 PolarHBondContact NZ-OE1 3.25Å; E99-K101 PolarHBondContact O-N 3.2Å; E99-K101 VanDerWaalsContact O-N 3.1Å
100	E	95.9	Very high	94.6	Very high	130 Å²	130	75.4 Å²	75.4	61%	0.607	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	118.9	179.1	-171	170.9	-98.3	0	0	110.9	Y107 V108 K109	E100-Y107 HydrophobicContact CG-CD1 4.26Å; E100-Y107 HydrophobicContact CG-CG 4.43Å; E100-V108 WeakPolarHBondContact CA-O 3.4Å; E100-K109 HydrophobicContact CB-CB 4.07Å; E100-K109 HydrophobicContact CB-CD 4.44Å; E100-K109 HydrophobicContact CB-CG 4.48Å; E100-K109 HydrophobicContact CG-CB 4.49Å
101	K	92.5	Very high	94.7	Very high	85 Å²	85	76 Å²	76	37%	0.37	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.7	178.1	-71.7	171.8	-172.4	165.1	0	109.4	E82 E99 D103 Y107 V108	E82-K101 IonicContact OE1-NZ 3.72Å; E82-K101 PolarHBondContact OE1-NZ 3.35Å; E99-K101 PolarHBondContact O-N 3.2Å; E99-K101 VanDerWaalsContact O-N 3.1Å; K101-D103 PolarHBondContact O-N 2.8Å; K101-Y107 CarbonylContact O-C 3.53Å; K101-Y107 WeakPolarHBondContact O-CA 3.47Å; K101-V108 PolarHBondContact N-O 2.83Å; K101-V108 PolarHBondContact O-N 2.77Å
102	K	93.9	Very high	94.7	Very high	155 Å²	155	72.6 Å²	72.6	67%	0.674	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	131.3	174.2	-170.8	179.1	179.7	-179.5	0	109.6	G104 G106 Y107	K102-G104 WeakPolarHBondContact CE-O 3.08Å; K102-G106 WeakPolarHBondContact CA-O 3.37Å; K102-G106 WeakPolarHBondContact CG-O 3.42Å; K102-Y107 HydrophobicContact CB-CD1 4.19Å; K102-Y107 HydrophobicContact CB-CE1 4.01Å; K102-Y107 HydrophobicContact CG-CE1 4.47Å
103	D	89.6	Confident	94.6	Very high	95 Å²	95	77 Å²	77	51%	0.508	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	108.1	178.5	-170.1	20.8	0	0	0	108.6	K101 D105 G106 V108	K101-D103 PolarHBondContact O-N 2.8Å; D103-D105 PolarHBondContact O-N 2.7Å; D103-G106 PolarHBondContact N-O 3.08Å; D103-G106 CarbonylContact O-C 3.49Å; D103-G106 PolarHBondContact O-N 2.9Å; D103-V108 HydrophobicContact CB-CB 4.25Å; D103-V108 HydrophobicContact CB-CG2 3.7Å; D103-V108 WeakPolarHBondContact OD2-CG2 3.4Å
104	G	91.1	Very high	94.4	Very high	57 Å²	57	77.7 Å²	77.7	59%	0.588	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	-123.6	-171	0	0	0	0	0	113	K102 G106	K102-G104 WeakPolarHBondContact CE-O 3.08Å; G104-G106 VanDerWaalsContact C-N 3.28Å
105	D	92.8	Very high	94.3	Very high	184 Å²	184	80.4 Å²	80.4	98%	0.984	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	5.8	178.5	-61.6	-40.5	0	0	0	113.3	D103	D103-D105 PolarHBondContact O-N 2.7Å
106	G	93.8	Very high	94.2	Very high	31 Å²	31	79.3 Å²	79.3	32%	0.32	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	-165	-176.7	0	0	0	0	0	113.7	K102 D103 G104	K102-G106 WeakPolarHBondContact CA-O 3.37Å; K102-G106 WeakPolarHBondContact CG-O 3.42Å; D103-G106 PolarHBondContact N-O 3.08Å; D103-G106 CarbonylContact O-C 3.49Å; D103-G106 PolarHBondContact O-N 2.9Å; G104-G106 VanDerWaalsContact C-N 3.28Å
107	Y	93.6	Very high	94.2	Very high	160 Å²	160	87.2 Å²	87.2	63%	0.627	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.5	173.7	-66	-94.7	0	0	0	108.8	E100 K101 K102	E100-Y107 HydrophobicContact CG-CD1 4.26Å; E100-Y107 HydrophobicContact CG-CG 4.43Å; K101-Y107 CarbonylContact O-C 3.53Å; K101-Y107 WeakPolarHBondContact O-CA 3.47Å; K102-Y107 HydrophobicContact CB-CD1 4.19Å; K102-Y107 HydrophobicContact CB-CE1 4.01Å; K102-Y107 HydrophobicContact CG-CE1 4.47Å
108	V	92.1	Very high	94	Very high	36 Å²	36	83.8 Å²	83.8	22%	0.218	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.3	176.2	-176.6	0	0	0	0	110.9	E100 K101 D103 R110	E100-V108 WeakPolarHBondContact CA-O 3.4Å; K101-V108 PolarHBondContact N-O 2.83Å; K101-V108 PolarHBondContact O-N 2.77Å; D103-V108 HydrophobicContact CB-CB 4.25Å; D103-V108 HydrophobicContact CB-CG2 3.7Å; D103-V108 WeakPolarHBondContact OD2-CG2 3.4Å; V108-R110 HydrophobicContact CG1-CG 3.9Å
109	K	94.9	Very high	93.9	Very high	124 Å²	124	83.8 Å²	83.8	54%	0.539	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.6	171.8	-176.4	179	-179.4	174.6	0	108.3	H98 E100	H98-K109 WeakPolarHBondContact O-CG 3.42Å; E100-K109 HydrophobicContact CB-CB 4.07Å; E100-K109 HydrophobicContact CB-CD 4.44Å; E100-K109 HydrophobicContact CB-CG 4.48Å; E100-K109 HydrophobicContact CG-CB 4.49Å
110	R	92.9	Very high	93.6	Very high	59 Å²	59	87.7 Å²	87.7	22%	0.223	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141	179.5	-56.5	176.4	178.3	95.7	-5.6	110.2	F78 H98 V108	F78-R110 HydrophobicContact CE1-CB 4.03Å; F78-R110 HydrophobicContact CZ-CB 3.73Å; H98-R110 HydrophobicContact CB-CB 4.05Å; H98-R110 PolarHBondContact N-O 3.42Å; H98-R110 PolarHBondContact O-N 3.03Å; H98-R110 VanDerWaalsContact O-O 3.14Å; V108-R110 HydrophobicContact CG1-CG 3.9Å
111	E	96.2	Very high	93.3	Very high	104 Å²	104	83 Å²	83	49%	0.486	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	138.8	172.8	-174.6	166.4	-170.5	0	0	109.5	H95 G96 K97	H95-E111 IonicContact CD2-OE1 3.98Å; H95-E111 IonicContact CE1-OE1 2.83Å; H95-E111 IonicContact NE2-OE1 3.94Å; H95-E111 PolarHBondContact NE2-OE1 2.86Å; G96-E111 CarbonylContact O-C 3.54Å; G96-E111 VanDerWaalsContact O-CA 3.26Å; G96-E111 WeakPolarHBondContact O-CA 3.37Å; K97-E111 HydrophobicContact CB-CG 4.46Å; K97-E111 HydrophobicContact CG-CG 4.21Å
112	F	94.7	Very high	93.3	Very high	24 Å²	24	79.5 Å²	79.5	11%	0.105	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.8	173.5	79.2	-88.4	0	0	0	111.8	L73 V75 F78 M83 I94 H95 G96 R114	L73-F112 HydrophobicContact CD2-CE2 3.64Å; L73-F112 HydrophobicContact CD2-CZ 3.69Å; V75-F112 HydrophobicContact CG1-CE1 4.33Å; V75-F112 HydrophobicContact CG1-CZ 3.89Å; F78-F112 HydrophobicContact CD2-CD1 4.45Å; F78-F112 AromaticContact CD2-CE1 3.89Å; F78-F112 HydrophobicContact CD2-CE1 3.89Å; F78-F112 HydrophobicContact CE1-CD1 4.14Å; F78-F112 HydrophobicContact CE1-CE1 4.25Å; F78-F112 AromaticContact CE2-CD1 3.64Å; F78-F112 HydrophobicContact CE2-CD1 3.64Å; F78-F112 AromaticContact CE2-CE1 3.51Å; F78-F112 HydrophobicContact CE2-CE1 3.51Å; F78-F112 HydrophobicContact CG-CE1 4.43Å; F78-F112 AromaticContact CZ-CD1 3.46Å; F78-F112 HydrophobicContact CZ-CD1 3.46Å; F78-F112 VanDerWaalsContact CZ-CD1 3.46Å; F78-F112 AromaticContact CZ-CE1 3.72Å; F78-F112 HydrophobicContact CZ-CE1 3.72Å; M83-F112 HydrophobicContact CE-CE1 4.16Å; M83-F112 HydrophobicContact CE-CZ 3.7Å; M83-F112 HydrophobicContact SD-CE1 4.03Å; M83-F112 HydrophobicContact SD-CZ 4.19Å; I94-F112 HydrophobicContact CG2-CE2 4.01Å; I94-F112 HydrophobicContact CG2-CZ 4.21Å; H95-F112 WeakPolarHBondContact CA-O 3.46Å; H95-F112 PolarHBondContact CD2-O 2.99Å; H95-F112 VanDerWaalsContact CD2-O 3.25Å; G96-F112 PolarHBondContact N-O 2.96Å; G96-F112 PolarHBondContact O-N 3.09Å; F112-R114 HydrophobicContact CD2-CG 4.08Å; F112-R114 HydrophobicContact CE2-CG 4.29Å
113	T	95.1	Very high	93.2	Very high	93 Å²	93	76 Å²	76	57%	0.571	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.6	167.4	-59.1	0	0	0	0	109.4	I93 I94 H95	I93-T113 HydrophobicContact CG2-CG2 3.94Å; I94-T113 CarbonylContact O-C 3.57Å; I94-T113 VanDerWaalsContact O-CA 3.31Å; I94-T113 WeakPolarHBondContact O-CA 3.46Å; H95-T113 PolarHBondContact CD2-OG1 3.31Å
114	R	93.8	Very high	93.4	Very high	47 Å²	47	73.9 Å²	73.9	18%	0.177	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	137.4	171.5	-78.1	170.9	169.3	-116.9	3.7	109.6	N57 G58 S60 I93 I94 F112 Y116	N57-R114 PolarHBondContact O-NE 2.98Å; N57-R114 PolarHBondContact O-NH2 3.1Å; G58-R114 PolarHBondContact O-NH2 2.89Å; S60-R114 PolarHBondContact OG-NH1 2.8Å; I93-R114 WeakPolarHBondContact CA-O 3.38Å; I94-R114 HydrophobicContact CB-CB 4.4Å; I94-R114 PolarHBondContact N-O 3.4Å; I94-R114 PolarHBondContact O-N 2.83Å; F112-R114 HydrophobicContact CD2-CG 4.08Å; F112-R114 HydrophobicContact CE2-CG 4.29Å; R114-Y116 HydrophobicContact CB-CE2 3.98Å; R114-Y116 PolarHBondContact NH1-OH 3.23Å
115	S	94.9	Very high	93.5	Very high	56 Å²	56	78.3 Å²	78.3	39%	0.392	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.4	179.7	-174.9	0	0	0	0	110.4	R91 I92	R91-S115 WeakPolarHBondContact CD-OG 3.21Å; I92-S115 CarbonylContact O-C 3.58Å; I92-S115 VanDerWaalsContact O-CA 3.28Å; I92-S115 WeakPolarHBondContact O-CA 3.46Å
116	Y	95.2	Very high	93.5	Very high	34 Å²	34	72.3 Å²	72.3	13%	0.133	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.6	178.1	-62.3	-87.8	0	0	0	110	S60 L62 I71 R91 I92 I94 R114	S60-Y116 WeakPolarHBondContact CB-OH 3.36Å; S60-Y116 PolarHBondContact OG-OH 2.93Å; L62-Y116 HydrophobicContact CD1-CD1 3.46Å; L62-Y116 VanDerWaalsContact CD1-CD1 3.46Å; L62-Y116 HydrophobicContact CD1-CE1 3.72Å; L62-Y116 HydrophobicContact CD1-CG 4.45Å; I71-Y116 HydrophobicContact CD1-CD1 4.33Å; I71-Y116 HydrophobicContact CD1-CD2 3.56Å; I71-Y116 HydrophobicContact CD1-CE2 4.14Å; I71-Y116 HydrophobicContact CD1-CG 3.66Å; I71-Y116 HydrophobicContact CG1-CD2 4.4Å; I71-Y116 HydrophobicContact CG1-CG 4.37Å; I71-Y116 HydrophobicContact CG2-CD2 4.49Å; I71-Y116 HydrophobicContact CG2-CE2 3.96Å; R91-Y116 CarbonylContact C-O 3.58Å; R91-Y116 WeakPolarHBondContact CA-O 3.42Å; R91-Y116 WeakPolarHBondContact CB-O 3.4Å; I92-Y116 PolarHBondContact N-O 3.1Å; I92-Y116 PolarHBondContact O-N 3.07Å; I94-Y116 HydrophobicContact CD1-CD2 4.31Å; I94-Y116 HydrophobicContact CD1-CE2 3.95Å; R114-Y116 HydrophobicContact CB-CE2 3.98Å; R114-Y116 PolarHBondContact NH1-OH 3.23Å
117	W	95.2	Very high	93.7	Very high	165 Å²	165	72.3 Å²	72.3	63%	0.625	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	135.4	172.4	-71.1	109.6	0	0	0	110.8	R91 P119	R91-W117 HydrophobicContact CG-CD2 3.83Å; R91-W117 HydrophobicContact CG-CE3 3.34Å; R91-W117 HydrophobicContact CG-CH2 4.47Å; R91-W117 HydrophobicContact CG-CZ3 3.68Å; R91-W117 VanDerWaalsContact CZ-CZ2 3.44Å; R91-W117 VanDerWaalsContact NE-CZ2 3.25Å; W117-P119 WeakPolarHBondContact O-CD 3.31Å
118	L	94.5	Very high	93.8	Very high	8 Å²	8	71.9 Å²	71.9	4%	0.042	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-75.2	125	174.1	-73.7	177.6	0	0	0	110.5	F69 N90 I92 V122 P124 I127	F69-L118 HydrophobicContact CD1-CD2 4.44Å; F69-L118 HydrophobicContact CE1-CD2 4.49Å; N90-L118 PolarHBondContact ND2-O 2.84Å; N90-L118 VanDerWaalsContact ND2-O 3.17Å; N90-L118 WeakPolarHBondContact O-CB 3.29Å; N90-L118 PolarHBondContact O-N 3.46Å; I92-L118 HydrophobicContact CD1-CD2 3.56Å; I92-L118 HydrophobicContact CG1-CD2 3.48Å; I92-L118 VanDerWaalsContact CG1-CD2 3.48Å; I92-L118 HydrophobicContact CG1-CG 4.08Å; L118-V122 HydrophobicContact CD1-CG1 4.48Å; L118-V122 HydrophobicContact CD2-CB 4.34Å; L118-V122 HydrophobicContact CD2-CG1 3.82Å; L118-P124 HydrophobicContact CD1-CG 4.34Å; L118-I127 HydrophobicContact CD1-CD1 4.03Å; L118-I127 HydrophobicContact CD2-CD1 3.81Å
119	P	93	Very high	94	Very high	23 Å²	23	73.5 Å²	73.5	15%	0.149	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-60.5	157.1	170.3	-20.1	31.1	0	0	0	111.7	N64 F69 W117 V122	N64-P119 WeakPolarHBondContact OD1-CG 3.26Å; F69-P119 HydrophobicContact CB-CG 4.14Å; F69-P119 HydrophobicContact CD1-CG 4.44Å; F69-P119 HydrophobicContact CD2-CG 3.45Å; F69-P119 VanDerWaalsContact CD2-CG 3.45Å; F69-P119 HydrophobicContact CE2-CG 3.83Å; F69-P119 HydrophobicContact CG-CG 3.78Å; F69-P119 HydrophobicContact CZ-CG 4.47Å; W117-P119 WeakPolarHBondContact O-CD 3.31Å; P119-V122 HydrophobicContact CB-CG2 4.5Å; P119-V122 PolarHBondContact O-N 3.16Å
120	K	90.1	Very high	94.1	Very high	171 Å²	171	73.9 Å²	73.9	74%	0.743	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	141.7	170.2	-65.1	-175.3	179.1	-178.1	0	110.3	V122	K120-V122 VanDerWaalsContact C-N 3.32Å
121	G	89.7	Confident	94.3	Very high	31 Å²	31	74 Å²	74	32%	0.32	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-6.9	179.4	0	0	0	0	0	114.6	K144	G121-K144 PolarHBondContact O-N 3.33Å
122	V	93.4	Very high	94.2	Very high	13 Å²	13	71.1 Å²	71.1	8%	0.079	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-80.1	129.6	166.7	176.6	0	0	0	0	109.3	F69 L118 P119 K120 I127 A141 K143	F69-V122 HydrophobicContact CB-CG2 4.17Å; L118-V122 HydrophobicContact CD1-CG1 4.48Å; L118-V122 HydrophobicContact CD2-CB 4.34Å; L118-V122 HydrophobicContact CD2-CG1 3.82Å; P119-V122 HydrophobicContact CB-CG2 4.5Å; P119-V122 PolarHBondContact O-N 3.16Å; K120-V122 VanDerWaalsContact C-N 3.32Å; V122-I127 HydrophobicContact CG1-CD1 4.01Å; V122-I127 HydrophobicContact CG1-CG1 4.05Å; V122-A141 HydrophobicContact CG1-CB 3.73Å; V122-A141 HydrophobicContact CG2-CB 4.22Å; V122-K143 HydrophobicContact CG2-CG 3.66Å
123	Q	91.3	Very high	94.2	Very high	82 Å²	82	76.5 Å²	76.5	38%	0.383	40%	0.402	S	S	.	.			trans	-101.3	122.7	171.1	-75.2	-174.3	-40	0	0	108.6	E125 N126	Q123-E125 WeakPolarHBondContact CB-OE2 3.47Å; Q123-E125 PolarHBondContact O-N 3.46Å; Q123-E125 VanDerWaalsContact O-N 3.11Å; Q123-N126 WeakPolarHBondContact CB-ND2 3.47Å; Q123-N126 PolarHBondContact O-N 3.13Å; Q123-N126 PolarHBondContact OE1-ND2 3.48Å; Q123-N126 VanDerWaalsContact OE1-ND2 3.08Å
124	P	92.6	Very high	94.1	Very high	50 Å²	50	77.4 Å²	77.4	33%	0.325	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-53.3	-32.4	-176.4	-28.4	36	0	0	0	114.4	T87 L118 N126 I127	T87-P124 HydrophobicContact CG2-CB 4.29Å; L118-P124 HydrophobicContact CD1-CG 4.34Å; P124-N126 PolarHBondContact O-N 3.48Å; P124-I127 WeakPolarHBondContact O-CB 3.47Å; P124-I127 WeakPolarHBondContact O-CG1 3.26Å; P124-I127 PolarHBondContact O-N 2.75Å
125	E	93.1	Very high	94.1	Very high	149 Å²	149	75.5 Å²	75.5	70%	0.696	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-70.1	-20.3	-176.7	-48.9	74.3	-157.5	0	0	112.6	Q123	Q123-E125 WeakPolarHBondContact CB-OE2 3.47Å; Q123-E125 PolarHBondContact O-N 3.46Å; Q123-E125 VanDerWaalsContact O-N 3.11Å
126	N	94.1	Very high	94.1	Very high	58 Å²	58	76.2 Å²	76.2	31%	0.31	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-95.2	-1.1	179.8	-62.9	-40.7	0	0	0	112.8	Q123 P124 P142	Q123-N126 WeakPolarHBondContact CB-ND2 3.47Å; Q123-N126 PolarHBondContact O-N 3.13Å; Q123-N126 PolarHBondContact OE1-ND2 3.48Å; Q123-N126 VanDerWaalsContact OE1-ND2 3.08Å; P124-N126 PolarHBondContact O-N 3.48Å; N126-P142 VanDerWaalsContact O-CD 3.24Å; N126-P142 WeakPolarHBondContact O-CD 3.31Å
127	I	96.3	Very high	94.2	Very high	31 Å²	31	75 Å²	75	16%	0.159	39%	0.392	C	S	.	.			trans	-72.4	132	179.1	-58.7	179.9	0	0	0	108.7	T87 I92 L118 V122 P124 I139 L140 A141	T87-I127 HydrophobicContact CG2-CD1 3.7Å; I92-I127 HydrophobicContact CD1-CD1 4Å; I92-I127 HydrophobicContact CD1-CG2 4.33Å; I92-I127 HydrophobicContact CG1-CD1 4.07Å; L118-I127 HydrophobicContact CD1-CD1 4.03Å; L118-I127 HydrophobicContact CD2-CD1 3.81Å; V122-I127 HydrophobicContact CG1-CD1 4.01Å; V122-I127 HydrophobicContact CG1-CG1 4.05Å; P124-I127 WeakPolarHBondContact O-CB 3.47Å; P124-I127 WeakPolarHBondContact O-CG1 3.26Å; P124-I127 PolarHBondContact O-N 2.75Å; I127-I139 HydrophobicContact CG2-CG2 3.64Å; I127-L140 WeakPolarHBondContact CA-O 3.34Å; I127-A141 HydrophobicContact CD1-CB 4.34Å; I127-A141 HydrophobicContact CG1-CB 3.81Å
128	K	97.1	Very high	94.3	Very high	151 Å²	151	68 Å²	68	66%	0.657	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.7	175.9	-63.5	-175.4	179.7	-176.3	0	109.5	I139 L140	K128-I139 CarbonylContact O-C 3.57Å; K128-I139 WeakPolarHBondContact O-CA 3.22Å; K128-L140 PolarHBondContact N-O 2.85Å; K128-L140 PolarHBondContact O-N 3Å
129	S	96.6	Very high	94.4	Very high	70 Å²	70	67.6 Å²	67.6	49%	0.49	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.2	173.7	58.3	0	0	0	0	110.5	T138	S129-T138 CarbonylContact C-O 3.6Å; S129-T138 VanDerWaalsContact CA-O 3.26Å; S129-T138 WeakPolarHBondContact CA-O 3.49Å
130	E	96.9	Very high	94.6	Very high	133 Å²	133	69.5 Å²	69.5	62%	0.621	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.8	175.7	63.1	-172.5	177.1	0	0	109.8	T138	E130-T138 HydrophobicContact CG-CG2 4.48Å; E130-T138 PolarHBondContact N-O 3.28Å; E130-T138 PolarHBondContact O-N 3.15Å
131	M	95.7	Very high	94.9	Very high	60 Å²	60	61.3 Å²	61.3	30%	0.296	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.4	174.2	-176.5	170.5	174	0	0	108.3	V75 F78 P80 Q136 L137	V75-M131 HydrophobicContact CG2-CE 3.72Å; V75-M131 HydrophobicContact CG2-CG 4.49Å; V75-M131 HydrophobicContact CG2-SD 4.11Å; F78-M131 WeakPolarHBondContact O-CE 3.49Å; P80-M131 HydrophobicContact CB-SD 4.26Å; P80-M131 HydrophobicContact CG-SD 3.94Å; M131-Q136 WeakPolarHBondContact CA-O 3.46Å; M131-L137 HydrophobicContact CB-CD1 4.49Å
132	S	95.5	Very high	95.1	Very high	45 Å²	45	62.5 Å²	62.5	32%	0.315	34%	0.34	S	S	.	.			trans	-80.1	161	179.3	53.4	0	0	0	0	111.7	D134 G135 Q136	S132-D134 WeakPolarHBondContact CB-OD1 3.35Å; S132-D134 PolarHBondContact O-N 3.28Å; S132-D134 PolarHBondContact OG-OD1 2.81Å; S132-G135 PolarHBondContact O-N 2.92Å; S132-Q136 PolarHBondContact N-O 3.44Å; S132-Q136 WeakPolarHBondContact OG-CB 3.14Å; S132-Q136 PolarHBondContact OG-N 3.1Å; S132-Q136 PolarHBondContact OG-O 2.67Å
133	S	94.5	Very high	95.1	Very high	137 Å²	137	62.7 Å²	62.7	96%	0.958	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.5	-177.1	53.4	0	0	0	0	114.4	G135	S133-G135 VanDerWaalsContact C-N 3.27Å
134	D	92.6	Very high	94.7	Very high	111 Å²	111	65.1 Å²	65.1	59%	0.594	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	0.6	173.5	64.5	-22.2	0	0	0	113	S132	S132-D134 WeakPolarHBondContact CB-OD1 3.35Å; S132-D134 PolarHBondContact O-N 3.28Å; S132-D134 PolarHBondContact OG-OD1 2.81Å
135	G	93.5	Very high	93.6	Very high	8 Å²	8	67.3 Å²	67.3	8%	0.082	35%	0.351	C	S	.	.	S	Bend	trans	90.6	20.6	174.2	0	0	0	0	0	114.8	V75 K76 S132 S133	V75-G135 CarbonylContact C-O 3.54Å; V75-G135 VanDerWaalsContact C-O 3.25Å; V75-G135 WeakPolarHBondContact CA-O 3.41Å; V75-G135 WeakPolarHBondContact CG2-O 3.43Å; V75-G135 PolarHBondContact N-O 2.92Å; K76-G135 PolarHBondContact N-O 3.33Å; K76-G135 VanDerWaalsContact N-O 3.11Å; S132-G135 PolarHBondContact O-N 2.92Å; S133-G135 VanDerWaalsContact C-N 3.27Å
136	Q	95.1	Very high	92.1	Very high	71 Å²	71	64.2 Å²	64.2	33%	0.332	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.8	174.5	-176.3	175.5	95.1	0	0	111.2	K72 L73 M131 S132	K72-Q136 HydrophobicContact CB-CG 4.3Å; L73-Q136 CarbonylContact O-C 3.55Å; L73-Q136 WeakPolarHBondContact O-CA 3.24Å; M131-Q136 WeakPolarHBondContact CA-O 3.46Å; S132-Q136 PolarHBondContact N-O 3.44Å; S132-Q136 WeakPolarHBondContact OG-CB 3.14Å; S132-Q136 PolarHBondContact OG-N 3.1Å; S132-Q136 PolarHBondContact OG-O 2.67Å
137	L	97.1	Very high	90.5	Very high	9 Å²	9	70.7 Å²	70.7	5%	0.047	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	122.6	170	177	69.4	0	0	0	109.3	K72 L73 V75 M83 V85 I94 M131 I139	K72-L137 CarbonylContact C-O 3.55Å; K72-L137 VanDerWaalsContact CA-O 3.32Å; K72-L137 WeakPolarHBondContact CA-O 3.41Å; L73-L137 HydrophobicContact CB-CB 4.44Å; L73-L137 PolarHBondContact N-O 2.99Å; L73-L137 PolarHBondContact O-N 2.86Å; V75-L137 HydrophobicContact CG1-CB 4.22Å; V75-L137 HydrophobicContact CG2-CB 3.74Å; M83-L137 HydrophobicContact CE-CD2 3.95Å; V85-L137 HydrophobicContact CG2-CD1 4.42Å; V85-L137 HydrophobicContact CG2-CD2 4.03Å; I94-L137 HydrophobicContact CD1-CD2 4.32Å; I94-L137 HydrophobicContact CG2-CD2 3.65Å; M131-L137 HydrophobicContact CB-CD1 4.49Å; L137-I139 HydrophobicContact CD2-CD1 4.26Å; L137-I139 HydrophobicContact CD2-CG1 4.48Å; L137-I139 HydrophobicContact CG-CG1 4.29Å
138	T	97.3	Very high	88.6	Confident	16 Å²	16	76.1 Å²	76.1	10%	0.098	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.4	174.9	-62.2	0	0	0	0	109.9	L70 I71 K72 S129 E130	L70-T138 HydrophobicContact CD1-CG2 3.62Å; L70-T138 HydrophobicContact CG-CG2 4.43Å; I71-T138 CarbonylContact O-C 3.54Å; I71-T138 WeakPolarHBondContact O-CA 3.5Å; K72-T138 HydrophobicContact CG-CG2 4.45Å; S129-T138 CarbonylContact C-O 3.6Å; S129-T138 VanDerWaalsContact CA-O 3.26Å; S129-T138 WeakPolarHBondContact CA-O 3.49Å; E130-T138 HydrophobicContact CG-CG2 4.48Å; E130-T138 PolarHBondContact N-O 3.28Å; E130-T138 PolarHBondContact O-N 3.15Å
139	I	97.4	Very high	86.9	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.005	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.2	174.7	-55.1	173.4	0	0	0	108.2	L70 I71 V85 I92 I94 I127 K128 L137	L70-I139 CarbonylContact C-O 3.59Å; L70-I139 WeakPolarHBondContact CA-O 3.42Å; I71-I139 HydrophobicContact CB-CB 4.29Å; I71-I139 PolarHBondContact N-O 3.42Å; I71-I139 PolarHBondContact O-N 3.28Å; V85-I139 HydrophobicContact CG1-CD1 3.72Å; V85-I139 HydrophobicContact CG1-CG1 4.42Å; V85-I139 HydrophobicContact CG2-CD1 3.98Å; I92-I139 HydrophobicContact CD1-CG2 3.91Å; I92-I139 HydrophobicContact CG2-CD1 3.93Å; I92-I139 HydrophobicContact CG2-CG2 4.48Å; I94-I139 HydrophobicContact CD1-CD1 3.39Å; I94-I139 HydrophobicContact CG1-CD1 3.58Å; I127-I139 HydrophobicContact CG2-CG2 3.64Å; K128-I139 CarbonylContact O-C 3.57Å; K128-I139 WeakPolarHBondContact O-CA 3.22Å; L137-I139 HydrophobicContact CD2-CD1 4.26Å; L137-I139 HydrophobicContact CD2-CG1 4.48Å; L137-I139 HydrophobicContact CG-CG1 4.29Å
140	L	97.2	Very high	85.3	Confident	62 Å²	62	80.7 Å²	80.7	33%	0.325	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.5	179.9	177.8	71.7	0	0	0	109.9	K68 L70 I127 K128	K68-L140 HydrophobicContact CB-CD1 3.92Å; K68-L140 HydrophobicContact CD-CD1 3.87Å; K68-L140 HydrophobicContact CG-CD1 4.38Å; L70-L140 HydrophobicContact CD1-CB 3.97Å; L70-L140 HydrophobicContact CD1-CD1 3.72Å; L70-L140 HydrophobicContact CD1-CG 4.46Å; I127-L140 WeakPolarHBondContact CA-O 3.34Å; K128-L140 PolarHBondContact N-O 2.85Å; K128-L140 PolarHBondContact O-N 3Å
141	A	95.7	Very high	84.3	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	99.1	177.7	0	0	0	0	0	109.6	K68 F69 V122 I127	K68-A141 CarbonylContact C-O 3.58Å; K68-A141 WeakPolarHBondContact CA-O 3.32Å; F69-A141 HydrophobicContact CB-CB 4.06Å; F69-A141 HydrophobicContact CD1-CB 4.2Å; F69-A141 PolarHBondContact N-O 3.46Å; F69-A141 PolarHBondContact O-N 3.21Å; V122-A141 HydrophobicContact CG1-CB 3.73Å; V122-A141 HydrophobicContact CG2-CB 4.22Å; I127-A141 HydrophobicContact CD1-CB 4.34Å; I127-A141 HydrophobicContact CG1-CB 3.81Å
142	P	94.8	Very high	83.7	Confident	56 Å²	56	89.4 Å²	89.4	36%	0.364	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	141.4	176	-21	32.9	0	0	0	111.2	N126	N126-P142 VanDerWaalsContact O-CD 3.24Å; N126-P142 WeakPolarHBondContact O-CD 3.31Å
143	K	92.9	Very high	83.3	Confident	17 Å²	17	96.2 Å²	96.2	7%	0.074	47%	0.472	C	S	.	.	B	Isolated β-bridge	trans	-104.4	133.4	177.7	-66.6	-177.4	-178.7	-177.3	0	110.7	N64 D65 D67 K68 V122 Y145	N64-K143 WeakPolarHBondContact OD1-CE 3.2Å; N64-K143 PolarHBondContact OD1-NZ 2.66Å; D65-K143 WeakPolarHBondContact O-CD 3.38Å; D65-K143 WeakPolarHBondContact O-CE 3.35Å; D65-K143 PolarHBondContact O-NZ 2.87Å; D67-K143 PolarHBondContact O-N 2.73Å; K68-K143 WeakPolarHBondContact O-CE 3.41Å; V122-K143 HydrophobicContact CG2-CG 3.66Å; K143-Y145 HydrophobicContact CB-CD2 3.9Å; K143-Y145 HydrophobicContact CB-CE2 3.83Å; K143-Y145 HydrophobicContact CD-CD2 4.26Å; K143-Y145 HydrophobicContact CD-CE2 3.36Å; K143-Y145 HydrophobicContact CG-CE2 4.27Å; K143-Y145 PolarHBondContact NZ-OH 3.13Å; K143-Y145 VanDerWaalsContact NZ-OH 3.1Å
144	K	83	Confident	83	Confident	132 Å²	132	95.5 Å²	95.5	57%	0.574	46%	0.456	S	S	*	.			trans	-102.7	94.4	166	-66.1	179.8	-176.4	168.1	0	107.5	G121 S146	G121-K144 PolarHBondContact O-N 3.33Å; K144-S146 PolarHBondContact O-N 3.49Å
145	Y	69.2	Low	83	Confident	96 Å²	96	95.2 Å²	95.2	38%	0.376	46%	0.46	S	S	.	.			trans	-78.4	118.4	169.6	-81.8	-94.5	0	0	0	109.3	K66 K143	K66-Y145 WeakPolarHBondContact O-CD2 3.46Å; K66-Y145 WeakPolarHBondContact O-CE2 3.38Å; K143-Y145 HydrophobicContact CB-CD2 3.9Å; K143-Y145 HydrophobicContact CB-CE2 3.83Å; K143-Y145 HydrophobicContact CD-CD2 4.26Å; K143-Y145 HydrophobicContact CD-CE2 3.36Å; K143-Y145 HydrophobicContact CG-CE2 4.27Å; K143-Y145 PolarHBondContact NZ-OH 3.13Å; K143-Y145 VanDerWaalsContact NZ-OH 3.1Å
146	S	62.5	Low	82.8	Confident	84 Å²	84	102.4 Å²	102.4	59%	0.587	50%	0.496	S	S	*	.			trans	-74.5	132.7	157.7	58.9	0	0	0	0	108.4	K144 N148	K144-S146 PolarHBondContact O-N 3.49Å; S146-N148 PolarHBondContact O-N 3.06Å
147	E	58.8	Low	82.7	Confident	195 Å²	195	107.5 Å²	107.5	91%	0.911	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-0.6	-175.4	-72	179.5	148.1	0	0	116.6	Q149	E147-Q149 PolarHBondContact O-N 3.14Å; E147-Q149 VanDerWaalsContact O-N 3.1Å
148	N	57.8	Low	81.9	Confident	144 Å²	144	116.2 Å²	116.2	77%	0.77	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	5.3	-173.6	-69.4	-25.3	0	0	0	115.6	S146 K150	S146-N148 PolarHBondContact O-N 3.06Å; N148-K150 PolarHBondContact O-N 3.03Å; N148-K150 VanDerWaalsContact O-N 3.17Å
149	Q	60.2	Low	81.2	Confident	123 Å²	123	128.8 Å²	128.8	58%	0.575	61%	0.613	S	S	*	*			trans	-87.5	78.9	172.6	-66.5	-167.8	-1.9	0	0	110.2	E147 E151	E147-Q149 PolarHBondContact O-N 3.14Å; E147-Q149 VanDerWaalsContact O-N 3.1Å; Q149-E151 PolarHBondContact O-N 3.48Å
150	K	64.8	Low	80.4	Confident	194 Å²	194	135.2 Å²	135.2	84%	0.843	64%	0.644	S	S	*	*			trans	-60.7	121.2	169.8	-67.2	-177.5	178.8	180	0	108.9	N148 R152	N148-K150 PolarHBondContact O-N 3.03Å; N148-K150 VanDerWaalsContact O-N 3.17Å; K150-R152 PolarHBondContact O-N 3.48Å
151	E	75.7	Confident	79.5	Confident	180 Å²	180	139.1 Å²	139.1	84%	0.841	66%	0.66	S	S	*	*			trans	-54.3	126.7	171.1	-174.8	-179	175.5	0	0	109.2	Q149	Q149-E151 PolarHBondContact O-N 3.48Å
152	R	83	Confident	78.6	Confident	196 Å²	196	146.8 Å²	146.8	74%	0.74	70%	0.697	S	S	*	*			trans	-109.8	115.7	176.2	-168.5	-177.4	78.1	170.3	4.7	108.9	K150 I154	K150-R152 PolarHBondContact O-N 3.48Å; R152-I154 PolarHBondContact O-N 3.3Å
153	K	86.9	Confident	77.6	Confident	189 Å²	189	152.1 Å²	152.1	82%	0.822	72%	0.717	S	S	*	*			trans	-66.4	125.6	168.5	-65.2	-176.2	178.6	-178.3	0	108.9
154	I	88.8	Confident	76.7	Confident	121 Å²	121	160.6 Å²	160.6	62%	0.621	76%	0.757	S	S	*	*			trans	-107.6	111.4	175.1	-56.9	175.9	0	0	0	106.5	R152	R152-I154 PolarHBondContact O-N 3.3Å
155	P	91	Very high	76.3	Confident	105 Å²	105	162.5 Å²	162.5	68%	0.682	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-67.6	143.5	176.9	28.4	-32.9	0	0	0	110.4
156	I	90.6	Very high	76.8	Confident	160 Å²	160	167.2 Å²	167.2	82%	0.821	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-96.8	116.7	172.2	-59	173.8	0	0	0	107.2
157	E	92.8	Very high	77.9	Confident	178 Å²	178	173.6 Å²	173.6	83%	0.832	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-91.6	126.4	172	-66.4	-179.9	179.3	0	0	109.4
158	Q	80.1	Confident	79.5	Confident	191 Å²	191	171.8 Å²	171.8	89%	0.893	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-90.5	136.4	168.6	-71.5	-177.9	-40.1	0	0	109
159	K	82.1	Confident	81.4	Confident	281 Å²	281	174.4 Å²	174.4	100%	1.222	81%	0.808	S	S	*	*			trans	-100.3	0	168.9	-77.4	-171.8	178.1	-177.7	0	110.3

Retrieved 159 of 159 residues in 65.9 ms (Link to these results)

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