A0A5K4F8L9_SCHMA Loading...

BPTI/Kunitz inhibitor domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8L9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 aa.

						>A0A5K4F8L9_SCHMA|A0A5K4F8L9
MNSKFHLLIPLVIILGNVHSKARPKTPDEICALPLKKGYCLQNEPSFYYSPLENKCIPFTYKGCGGNENRFKTKEACERMCLKRSTVQSVTNQPKTTPSWKSANETTARIITITKSTSQKK
					

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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	44.1	Very low	59.9	Low	224 Å²	224	136.4 Å²	136.4	100%	1.103	70%	0.699	S	S	*	*				0	101.2	0	-73.2	129.5	66.3	0	0	106.3
2	N	50.3	Low	60.7	Low	138 Å²	138	133.8 Å²	133.8	74%	0.738	69%	0.694	S	S	*	*				-169.1	90.2	62.4	-67.6	-35.4	0	0	0	109.4
3	S	56.1	Low	61.4	Low	112 Å²	112	131.8 Å²	131.8	78%	0.783	68%	0.683	S	S	*	*	S	Bend	trans	-85.9	-13.8	-178.1	-174.3	0	0	0	0	113.6	F5	S3-F5 PolarHBondContact O-N 3.39Å
4	K	58.2	Low	62	Low	189 Å²	189	132.6 Å²	132.6	82%	0.822	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-10.2	-175.7	-65	-175.7	178.9	179.2	0	115
5	F	58.4	Low	62.4	Low	154 Å²	154	132.3 Å²	132.3	68%	0.675	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-26.5	179.8	-114.7	-93.8	0	0	0	112.9	S3 L7 L8 I9	S3-F5 PolarHBondContact O-N 3.39Å; F5-L7 VanDerWaalsContact C-N 3.31Å; F5-L7 PolarHBondContact O-N 3.49Å; F5-L8 PolarHBondContact O-N 3.06Å; F5-I9 WeakPolarHBondContact O-CG1 3.23Å
6	H	60.8	Low	62.7	Low	149 Å²	149	127.5 Å²	127.5	69%	0.69	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-22.3	-172.9	-160.3	-89.5	0	0	0	114.1	P10	H6-P10 WeakPolarHBondContact O-CD 3.28Å
7	L	65.4	Low	63	Low	143 Å²	143	127.7 Å²	127.7	75%	0.749	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-22.2	179.1	-73.3	171.9	0	0	0	113.7	F5	F5-L7 VanDerWaalsContact C-N 3.31Å; F5-L7 PolarHBondContact O-N 3.49Å
8	L	65.7	Low	63.5	Low	112 Å²	112	128 Å²	128	59%	0.586	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-32.3	-179.4	-64	178.9	0	0	0	112.8	F5 L11 V12	F5-L8 PolarHBondContact O-N 3.06Å; L8-L11 WeakPolarHBondContact O-CB 3.45Å; L8-L11 PolarHBondContact O-N 3.46Å; L8-V12 WeakPolarHBondContact O-CG2 3.47Å; L8-V12 PolarHBondContact O-N 3.08Å
9	I	66.1	Low	64.2	Low	92 Å²	92	129.6 Å²	129.6	47%	0.472	69%	0.69	S	S	.	*	H	α-helix	trans	-51.8	-48.2	179.8	-61.6	169.3	0	0	0	113	F5 L11 V12	F5-I9 WeakPolarHBondContact O-CG1 3.23Å; I9-L11 VanDerWaalsContact C-N 3.26Å; I9-L11 PolarHBondContact O-N 3.3Å; I9-V12 PolarHBondContact O-N 3.43Å
10	P	65.9	Low	65.1	Low	71 Å²	71	129.4 Å²	129.4	46%	0.461	70%	0.699	S	S	.	*	H	α-helix	trans	-64.3	-30.1	179.1	22.6	-31.9	0	0	0	113	H6 I13 I14	H6-P10 WeakPolarHBondContact O-CD 3.28Å; P10-I13 PolarHBondContact O-N 3.37Å; P10-I14 WeakPolarHBondContact O-CG1 3.46Å
11	L	68.3	Low	66	Low	116 Å²	116	132.3 Å²	132.3	61%	0.607	71%	0.705	S	S	*	*	H	α-helix	trans	-72	-33.1	-176.4	-150.1	123	0	0	0	112.6	L8 I9	L8-L11 WeakPolarHBondContact O-CB 3.45Å; L8-L11 PolarHBondContact O-N 3.46Å; I9-L11 VanDerWaalsContact C-N 3.26Å; I9-L11 PolarHBondContact O-N 3.3Å
12	V	68.9	Low	68.1	Low	105 Å²	105	126.2 Å²	126.2	64%	0.636	69%	0.69	S	S	*	*	H	α-helix	trans	-69.6	-34.1	177.2	-165.5	0	0	0	0	111.6	L8 I9 I14 L15 G16	L8-V12 WeakPolarHBondContact O-CG2 3.47Å; L8-V12 PolarHBondContact O-N 3.08Å; I9-V12 PolarHBondContact O-N 3.43Å; V12-I14 VanDerWaalsContact C-N 3.33Å; V12-I14 PolarHBondContact O-N 3.08Å; V12-L15 PolarHBondContact O-N 3.24Å; V12-G16 PolarHBondContact O-N 2.7Å
13	I	69.5	Low	70.1	Confident	109 Å²	109	127.5 Å²	127.5	56%	0.559	69%	0.685	S	S	*	*	H	α-helix	trans	-67.1	-34.7	-179.7	-59.8	171.7	0	0	0	111.3	P10 L15	P10-I13 PolarHBondContact O-N 3.37Å; I13-L15 VanDerWaalsContact C-N 3.29Å; I13-L15 PolarHBondContact O-N 3.42Å
14	I	69.7	Low	71.9	Confident	142 Å²	142	127.3 Å²	127.3	73%	0.728	68%	0.681	S	S	*	*	H	α-helix	trans	-67.3	-27.7	-178.9	-57.1	-58.1	0	0	0	112.4	P10 V12	P10-I14 WeakPolarHBondContact O-CG1 3.46Å; V12-I14 VanDerWaalsContact C-N 3.33Å; V12-I14 PolarHBondContact O-N 3.08Å
15	L	69.3	Low	73.7	Confident	128 Å²	128	122.7 Å²	122.7	67%	0.67	66%	0.66	S	S	*	*	H	α-helix	trans	-94.2	-16.4	-178	-64.5	175	0	0	0	114.6	V12 I13 N17	V12-L15 PolarHBondContact O-N 3.24Å; I13-L15 VanDerWaalsContact C-N 3.29Å; I13-L15 PolarHBondContact O-N 3.42Å; L15-N17 PolarHBondContact O-N 3.02Å
16	G	66.1	Low	75.4	Confident	56 Å²	56	117 Å²	117	58%	0.577	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-17.5	-168.5	0	0	0	0	0	116.8	V12	V12-G16 PolarHBondContact O-N 2.7Å
17	N	68.6	Low	77.1	Confident	131 Å²	131	112.5 Å²	112.5	70%	0.701	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	24.6	-166	-70.9	-34.8	0	0	0	115.8	L15 H19	L15-N17 PolarHBondContact O-N 3.02Å; N17-H19 VanDerWaalsContact C-N 3.31Å; N17-H19 PolarHBondContact O-N 3.08Å
18	V	72	Confident	78.6	Confident	133 Å²	133	109.8 Å²	109.8	81%	0.806	61%	0.609	S	S	*	*			trans	-81.1	73.7	173	-66	0	0	0	0	111.7	S20	V18-S20 PolarHBondContact O-N 3.19Å; V18-S20 VanDerWaalsContact O-N 3.17Å
19	H	77	Confident	80	Confident	159 Å²	159	109 Å²	109	74%	0.736	60%	0.602	S	S	*	*			trans	-71.6	107.7	167.4	-83.3	73.2	0	0	0	109.7	N17 K21	N17-H19 VanDerWaalsContact C-N 3.31Å; N17-H19 PolarHBondContact O-N 3.08Å; H19-K21 VanDerWaalsContact C-N 3.33Å; H19-K21 PolarHBondContact O-N 3.01Å
20	S	81.9	Confident	81.6	Confident	125 Å²	125	105.8 Å²	105.8	87%	0.874	59%	0.585	S	S	*	*			trans	-70.6	87.1	173.5	-159	0	0	0	0	109.7	V18 A22	V18-S20 PolarHBondContact O-N 3.19Å; V18-S20 VanDerWaalsContact O-N 3.17Å; S20-A22 PolarHBondContact O-N 3.39Å
21	K	83.9	Confident	83.1	Confident	190 Å²	190	102.8 Å²	102.8	83%	0.826	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-66.5	130.3	169.4	-71.9	-177	179.1	176	0	108.4	H19 R23	H19-K21 VanDerWaalsContact C-N 3.33Å; H19-K21 PolarHBondContact O-N 3.01Å; K21-R23 PolarHBondContact O-N 2.85Å
22	A	88.4	Confident	84.5	Confident	96 Å²	96	100.7 Å²	100.7	79%	0.793	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-58.8	133.4	168.2	0	0	0	0	0	109.6	S20	S20-A22 PolarHBondContact O-N 3.39Å
23	R	92.4	Very high	85.9	Confident	166 Å²	166	97.7 Å²	97.7	63%	0.626	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-64.2	142.6	171.6	149.6	179	-91.9	-81.8	5.8	109.4	K21 K25	K21-R23 PolarHBondContact O-N 2.85Å; R23-K25 PolarHBondContact O-N 3.01Å
24	P	93.4	Very high	87.3	Confident	107 Å²	107	96.6 Å²	96.6	70%	0.695	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-60.2	133.2	167.2	-21.3	32.6	0	0	0	111.6
25	K	95.1	Very high	88.6	Confident	92 Å²	92	92.6 Å²	92.6	40%	0.4	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-65.9	140.5	172.1	-65.4	178.4	-175.2	130.2	0	110.2	R23 E29 I30 L33 E68	R23-K25 PolarHBondContact O-N 3.01Å; K25-E29 WeakPolarHBondContact CA-OE2 3.38Å; K25-E29 HydrophobicContact CB-CB 4.17Å; K25-I30 HydrophobicContact CB-CD1 4.24Å; K25-I30 HydrophobicContact CB-CG1 3.73Å; K25-I30 HydrophobicContact CD-CG1 4.41Å; K25-L33 HydrophobicContact CD-CD1 4.48Å; K25-E68 IonicContact NZ-OE1 2.81Å; K25-E68 PolarHBondContact NZ-OE1 2.94Å; K25-E68 IonicContact NZ-OE2 2.65Å; K25-E68 PolarHBondContact NZ-OE2 3.36Å
26	T	95.9	Very high	90	Very high	36 Å²	36	91.7 Å²	91.7	22%	0.221	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-72.1	161.1	171	62.5	0	0	0	0	110.9	D28 E29 I30	T26-D28 PolarHBondContact O-N 3.45Å; T26-E29 WeakPolarHBondContact CB-OE2 3.31Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.16Å; T26-E29 PolarHBondContact N-OE2 2.91Å; T26-E29 PolarHBondContact O-N 2.9Å; T26-E29 VanDerWaalsContact O-N 3.17Å; T26-E29 VanDerWaalsContact OG1-CG 3.27Å; T26-E29 WeakPolarHBondContact OG1-CG 3.38Å; T26-E29 PolarHBondContact OG1-N 3.29Å; T26-E29 PolarHBondContact OG1-OE2 3.39Å; T26-I30 WeakPolarHBondContact O-CG1 3.38Å; T26-I30 PolarHBondContact O-N 3.02Å
27	P	95.8	Very high	91.6	Very high	54 Å²	54	95.1 Å²	95.1	35%	0.351	52%	0.515	S	S	.	.	H	α-helix	trans	-53.9	-40.7	172.3	-28.8	36.6	0	0	0	113.1	E29 I30 C31 M80	P27-E29 PolarHBondContact O-N 3.44Å; P27-I30 PolarHBondContact O-N 3.26Å; P27-C31 WeakPolarHBondContact O-CB 3.06Å; P27-C31 PolarHBondContact O-N 2.99Å; P27-C31 PolarHBondContact O-SG 3.47Å; P27-M80 HydrophobicContact CB-CG 4.48Å; P27-M80 HydrophobicContact CB-SD 3.69Å; P27-M80 HydrophobicContact CG-SD 3.82Å
28	D	95.7	Very high	93	Very high	85 Å²	85	90.1 Å²	90.1	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-63.9	-41.6	179.1	-68	-28.9	0	0	0	111.3	T26 A32 K83	T26-D28 PolarHBondContact O-N 3.45Å; D28-A32 VanDerWaalsContact O-CB 3.27Å; D28-A32 WeakPolarHBondContact O-CB 3.33Å; D28-A32 PolarHBondContact O-N 2.95Å; D28-A32 VanDerWaalsContact O-N 3.11Å; D28-K83 VanDerWaalsContact OD1-CE 3.27Å; D28-K83 WeakPolarHBondContact OD1-CE 2.97Å; D28-K83 IonicContact OD1-NZ 2.67Å; D28-K83 PolarHBondContact OD1-NZ 2.93Å; D28-K83 IonicContact OD2-NZ 2.74Å; D28-K83 PolarHBondContact OD2-NZ 2.86Å
29	E	96.9	Very high	94.2	Very high	96 Å²	96	92.4 Å²	92.4	45%	0.449	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-39.3	175.6	-71.7	166.8	131	0	0	112.3	K25 T26 P27 L33	K25-E29 WeakPolarHBondContact CA-OE2 3.38Å; K25-E29 HydrophobicContact CB-CB 4.17Å; T26-E29 WeakPolarHBondContact CB-OE2 3.31Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.16Å; T26-E29 PolarHBondContact N-OE2 2.91Å; T26-E29 PolarHBondContact O-N 2.9Å; T26-E29 VanDerWaalsContact O-N 3.17Å; T26-E29 VanDerWaalsContact OG1-CG 3.27Å; T26-E29 WeakPolarHBondContact OG1-CG 3.38Å; T26-E29 PolarHBondContact OG1-N 3.29Å; T26-E29 PolarHBondContact OG1-OE2 3.39Å; P27-E29 PolarHBondContact O-N 3.44Å; E29-L33 WeakPolarHBondContact O-CG 3.33Å
30	I	98.1	Very high	95.2	Very high	24 Å²	24	87.1 Å²	87.1	12%	0.123	47%	0.471	C	S	.	.	H	α-helix	trans	-65	-51.3	177.9	-70	168.7	0	0	0	110.1	K25 T26 P27 A32 L33 E68 N69 F71	K25-I30 HydrophobicContact CB-CD1 4.24Å; K25-I30 HydrophobicContact CB-CG1 3.73Å; K25-I30 HydrophobicContact CD-CG1 4.41Å; T26-I30 WeakPolarHBondContact O-CG1 3.38Å; T26-I30 PolarHBondContact O-N 3.02Å; P27-I30 PolarHBondContact O-N 3.26Å; I30-A32 PolarHBondContact O-N 3.4Å; I30-L33 WeakPolarHBondContact O-CB 3.38Å; I30-L33 WeakPolarHBondContact O-CG 3.45Å; I30-L33 PolarHBondContact O-N 3.4Å; I30-L33 VanDerWaalsContact O-N 3.1Å; I30-E68 HydrophobicContact CB-CB 4.5Å; I30-E68 HydrophobicContact CG1-CB 4.06Å; I30-E68 HydrophobicContact CG2-CB 3.86Å; I30-E68 WeakPolarHBondContact CG2-O 3.38Å; I30-N69 WeakPolarHBondContact O-CB 2.93Å; I30-F71 HydrophobicContact CG2-CZ 4.2Å
31	C	98.1	Very high	96	Very high	8 Å²	8	89.1 Å²	89.1	5%	0.054	47%	0.471	C	S	.	.	H	α-helix	trans	-71.5	-18.4	-174.6	-58.7	0	0	0	0	112.8	P27 L33 Y49 C81	P27-C31 WeakPolarHBondContact O-CB 3.06Å; P27-C31 PolarHBondContact O-N 2.99Å; P27-C31 PolarHBondContact O-SG 3.47Å; C31-L33 VanDerWaalsContact C-N 3.33Å; C31-Y49 HydrophobicContact CB-CD1 3.7Å; C31-Y49 HydrophobicContact CB-CE1 4.24Å; C31-Y49 HydrophobicContact CB-CG 4.37Å; C31-Y49 WeakPolarHBondContact O-CD1 2.98Å; C31-C81 HydrophobicContact CB-CB 3.68Å; C31-C81 WeakPolarHBondContact CB-SG 3.27Å; C31-C81 WeakPolarHBondContact SG-CA 3.22Å; C31-C81 WeakPolarHBondContact SG-CB 3.44Å; C31-C81 CovalentContact SG-SG 2.03Å; C31-C81 PolarHBondContact SG-SG 2.84Å
32	A	97.4	Very high	96.7	Very high	72 Å²	72	85.7 Å²	85.7	60%	0.595	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.7	172.2	0	0	0	0	0	114	D28 I30	D28-A32 VanDerWaalsContact O-CB 3.27Å; D28-A32 WeakPolarHBondContact O-CB 3.33Å; D28-A32 PolarHBondContact O-N 2.95Å; D28-A32 VanDerWaalsContact O-N 3.11Å; I30-A32 PolarHBondContact O-N 3.4Å
33	L	98.5	Very high	97.2	Very high	43 Å²	43	86.6 Å²	86.6	23%	0.225	45%	0.449	C	S	.	.	S	Bend	trans	-69.3	144.2	180	-62.4	168.6	0	0	0	111.2	K25 E29 I30 C31 N67 E68 N69	K25-L33 HydrophobicContact CD-CD1 4.48Å; E29-L33 WeakPolarHBondContact O-CG 3.33Å; I30-L33 WeakPolarHBondContact O-CB 3.38Å; I30-L33 WeakPolarHBondContact O-CG 3.45Å; I30-L33 PolarHBondContact O-N 3.4Å; I30-L33 VanDerWaalsContact O-N 3.1Å; C31-L33 VanDerWaalsContact C-N 3.33Å; L33-N67 HydrophobicContact CD1-CB 4.17Å; L33-E68 HydrophobicContact CD1-CB 4.15Å; L33-E68 WeakPolarHBondContact CD1-OE2 3.44Å; L33-N69 HydrophobicContact CB-CB 3.95Å; L33-N69 PolarHBondContact O-ND2 3.01Å
34	P	98.2	Very high	97.4	Very high	85 Å²	85	81.5 Å²	81.5	55%	0.552	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-66.9	156.1	177.7	29.2	-36.2	0	0	0	111.3	K36 N67	P34-K36 PolarHBondContact O-N 2.98Å; P34-N67 PolarHBondContact O-ND2 3.46Å
35	L	98.5	Very high	97.7	Very high	59 Å²	59	81.4 Å²	81.4	31%	0.309	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-58.3	127.8	169.2	177.6	154.2	0	0	0	110.1	K37 Y48 F59	L35-K37 HydrophobicContact CD2-CG 3.58Å; L35-Y48 HydrophobicContact CB-CD2 3.86Å; L35-Y48 HydrophobicContact CB-CE2 3.88Å; L35-Y48 HydrophobicContact CB-CG 4.22Å; L35-Y48 HydrophobicContact CD1-CD1 3.52Å; L35-Y48 HydrophobicContact CD1-CD2 4.27Å; L35-Y48 HydrophobicContact CD1-CE1 3.38Å; L35-Y48 HydrophobicContact CD1-CE2 4.2Å; L35-Y48 HydrophobicContact CD1-CG 3.95Å; L35-Y48 HydrophobicContact CG-CD1 4.39Å; L35-Y48 HydrophobicContact CG-CD2 4.47Å; L35-Y48 HydrophobicContact CG-CE1 4.49Å; L35-Y48 HydrophobicContact CG-CG 4.34Å; L35-F59 HydrophobicContact CD1-CB 4.08Å; L35-F59 HydrophobicContact CD1-CD2 4.35Å; L35-F59 HydrophobicContact CD1-CG 4.12Å; L35-F59 HydrophobicContact CG-CD2 4.45Å
36	K	98.6	Very high	97.9	Very high	109 Å²	109	77.1 Å²	77.1	47%	0.474	41%	0.413	S	S	.	.			trans	-125.1	105.2	169.8	-75.8	-167	174.8	-172.7	0	110.7	P34 G38 N67	P34-K36 PolarHBondContact O-N 2.98Å; K36-G38 PolarHBondContact O-N 3.37Å; K36-N67 HydrophobicContact CD-CB 4.34Å
37	K	98.5	Very high	98	Very high	127 Å²	127	77.6 Å²	77.6	55%	0.552	41%	0.412	S	S	*	.			trans	-62.4	-31.8	174.5	-61.7	-171.7	-178	173.8	0	111.9	L35 F59 Y61 K62	L35-K37 HydrophobicContact CD2-CG 3.58Å; K37-F59 HydrophobicContact CG-CD2 4.48Å; K37-Y61 WeakPolarHBondContact O-CD2 3.39Å; K37-K62 HydrophobicContact CB-CG 4.42Å; K37-K62 WeakPolarHBondContact O-CB 2.99Å; K37-K62 WeakPolarHBondContact O-CG 3.4Å; K37-K62 PolarHBondContact O-N 2.64Å
38	G	98.4	Very high	98.1	Very high	26 Å²	26	76.8 Å²	76.8	27%	0.268	40%	0.403	S	S	.	.			trans	85.5	179.5	-170.2	0	0	0	0	0	112.8	K36 C64	K36-G38 PolarHBondContact O-N 3.37Å; G38-C64 CarbonylContact C-O 3.57Å; G38-C64 WeakPolarHBondContact CA-O 3.33Å
39	Y	97.8	Very high	98.3	Very high	181 Å²	181	74 Å²	74	71%	0.71	39%	0.386	S	S	*	.	S	Bend	trans	-130.1	6.4	-171.2	55.1	-98	0	0	0	114.7	C64	Y39-C64 WeakPolarHBondContact CE2-SG 3.33Å; Y39-C64 PolarHBondContact N-O 3.28Å
40	C	98.5	Very high	98.3	Very high	49 Å²	49	69.7 Å²	69.7	33%	0.331	37%	0.366	S	S	.	.	S	Bend	trans	-81.3	-175.3	172.6	-79	0	0	0	0	112	K62 C64	C40-K62 CarbonylContact C-O 3.25Å; C40-K62 VanDerWaalsContact C-O 3.25Å; C40-K62 WeakPolarHBondContact CA-O 3.45Å; C40-K62 WeakPolarHBondContact CB-O 3.2Å; C40-K62 WeakPolarHBondContact O-CB 2.98Å; C40-C64 HydrophobicContact CB-CB 3.92Å; C40-C64 WeakPolarHBondContact CB-SG 3.32Å; C40-C64 PolarHBondContact N-SG 3.17Å; C40-C64 VanDerWaalsContact N-SG 3.43Å; C40-C64 WeakPolarHBondContact SG-CB 3.26Å; C40-C64 CovalentContact SG-SG 2.02Å; C40-C64 PolarHBondContact SG-SG 2.87Å
41	L	97.8	Very high	98.2	Very high	167 Å²	167	72.3 Å²	72.3	87%	0.874	39%	0.385	S	S	*	.	S	Bend	trans	-107.2	12.1	-172.4	-58.2	179.3	0	0	0	114.2
42	Q	98.3	Very high	98.1	Very high	118 Å²	118	80 Å²	80	55%	0.551	42%	0.424	S	S	*	.			trans	-81.5	161.7	175.7	-61.3	178.7	-29.5	0	0	110.7	K62	Q42-K62 WeakPolarHBondContact CB-O 3.35Å; Q42-K62 PolarHBondContact N-O 3.5Å; Q42-K62 VanDerWaalsContact N-O 3.07Å; Q42-K62 WeakPolarHBondContact O-CA 3.39Å; Q42-K62 VanDerWaalsContact O-CD 3.27Å; Q42-K62 WeakPolarHBondContact O-CD 3.44Å
43	N	98.3	Very high	98	Very high	114 Å²	114	81.7 Å²	81.7	61%	0.61	42%	0.42	S	S	*	.			trans	-128.5	91.8	171.2	-63.7	-56.7	0	0	0	108.3	T60 K62	N43-T60 HydrophobicContact CB-CG2 3.79Å; N43-K62 PolarHBondContact OD1-NZ 2.83Å
44	E	98.4	Very high	97.9	Very high	59 Å²	59	84.6 Å²	84.6	28%	0.276	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.3	178.5	-174.7	-178.2	169.4	0	0	109.3	S46 Y61	E44-S46 PolarHBondContact O-N 3.34Å; E44-Y61 HydrophobicContact CB-CD1 4.47Å; E44-Y61 PolarHBondContact N-O 3.46Å; E44-Y61 PolarHBondContact O-N 2.66Å
45	P	98.7	Very high	97.9	Very high	105 Å²	105	86.8 Å²	86.8	68%	0.682	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	128.3	170.2	-21.5	32.9	0	0	0	110.1
46	S	98.8	Very high	97.9	Very high	2 Å²	2	84.4 Å²	84.4	1%	0.014	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	167.5	-178	-72.5	0	0	0	0	110.2	E44 P58 F59 F71	E44-S46 PolarHBondContact O-N 3.34Å; S46-P58 CarbonylContact O-C 3.51Å; S46-P58 WeakPolarHBondContact O-CA 3.27Å; S46-F59 PolarHBondContact N-O 3.08Å; S46-F59 PolarHBondContact O-N 2.87Å; S46-F71 CarbonylContact C-O 3.53Å; S46-F71 WeakPolarHBondContact CA-O 3.38Å
47	F	98.9	Very high	97.9	Very high	47 Å²	47	81 Å²	81	21%	0.206	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.1	175.9	-66.7	-95.7	0	0	0	109.6	I57 P58 R70 F71 T73 K74 C77	F47-I57 WeakPolarHBondContact CA-O 3.36Å; F47-P58 HydrophobicContact CD1-CB 4.17Å; F47-P58 HydrophobicContact CE1-CB 3.84Å; F47-P58 HydrophobicContact CE1-CG 4.44Å; F47-P58 HydrophobicContact CZ-CB 4.33Å; F47-R70 CarbonylContact O-C 3.59Å; F47-R70 WeakPolarHBondContact O-CA 3.44Å; F47-F71 PolarHBondContact N-O 2.74Å; F47-F71 WeakPolarHBondContact O-CD2 3.3Å; F47-F71 PolarHBondContact O-N 2.86Å; F47-T73 VanDerWaalsContact CD2-C 3.41Å; F47-K74 HydrophobicContact CD1-CB 3.92Å; F47-K74 HydrophobicContact CD1-CG 4.31Å; F47-K74 HydrophobicContact CD2-CB 4.47Å; F47-K74 HydrophobicContact CE1-CB 3.7Å; F47-K74 HydrophobicContact CE1-CD 4.31Å; F47-K74 HydrophobicContact CE1-CG 4.21Å; F47-K74 HydrophobicContact CE2-CB 4.29Å; F47-K74 HydrophobicContact CG-CB 4.3Å; F47-K74 HydrophobicContact CZ-CB 3.9Å; F47-C77 HydrophobicContact CB-CB 4.05Å
48	Y	98.7	Very high	97.9	Very high	37 Å²	37	79.4 Å²	79.4	15%	0.145	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	152.8	169.2	88.1	-72.2	0	0	0	109.1	L35 C56 I57 F59 N69	L35-Y48 HydrophobicContact CB-CD2 3.86Å; L35-Y48 HydrophobicContact CB-CE2 3.88Å; L35-Y48 HydrophobicContact CB-CG 4.22Å; L35-Y48 HydrophobicContact CD1-CD1 3.52Å; L35-Y48 HydrophobicContact CD1-CD2 4.27Å; L35-Y48 HydrophobicContact CD1-CE1 3.38Å; L35-Y48 HydrophobicContact CD1-CE2 4.2Å; L35-Y48 HydrophobicContact CD1-CG 3.95Å; L35-Y48 HydrophobicContact CG-CD1 4.39Å; L35-Y48 HydrophobicContact CG-CD2 4.47Å; L35-Y48 HydrophobicContact CG-CE1 4.49Å; L35-Y48 HydrophobicContact CG-CG 4.34Å; Y48-C56 CarbonylContact O-C 3.54Å; Y48-C56 WeakPolarHBondContact O-CA 3.39Å; Y48-I57 HydrophobicContact CD1-CB 4.01Å; Y48-I57 WeakPolarHBondContact CD1-O 3.27Å; Y48-I57 HydrophobicContact CE1-CB 3.57Å; Y48-I57 HydrophobicContact CE1-CD1 4.23Å; Y48-I57 HydrophobicContact CE1-CG1 4.37Å; Y48-I57 HydrophobicContact CE1-CG2 3.94Å; Y48-I57 PolarHBondContact N-O 2.6Å; Y48-I57 PolarHBondContact O-N 3.33Å; Y48-F59 HydrophobicContact CD1-CD1 4.02Å; Y48-F59 HydrophobicContact CG-CD1 4.42Å; Y48-N69 VanDerWaalsContact CB-O 3.3Å; Y48-N69 WeakPolarHBondContact CB-O 3.46Å
49	Y	98.7	Very high	97.9	Very high	27 Å²	27	79.1 Å²	79.1	11%	0.106	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	125.6	172.2	175.4	-105.5	0	0	0	110.6	C31 P51 N54 N69 C81 L82	C31-Y49 HydrophobicContact CB-CD1 3.7Å; C31-Y49 HydrophobicContact CB-CE1 4.24Å; C31-Y49 HydrophobicContact CB-CG 4.37Å; C31-Y49 WeakPolarHBondContact O-CD1 2.98Å; Y49-P51 HydrophobicContact CE1-CB 3.93Å; Y49-P51 WeakPolarHBondContact O-CD 3.06Å; Y49-N54 PolarHBondContact OH-OD1 2.91Å; Y49-N69 PolarHBondContact N-OD1 2.94Å; Y49-N69 PolarHBondContact O-ND2 3.31Å; Y49-C81 WeakPolarHBondContact CB-SG 3.17Å; Y49-C81 HydrophobicContact CD1-CB 3.86Å; Y49-C81 HydrophobicContact CD2-CB 3.57Å; Y49-C81 HydrophobicContact CE1-CB 4.4Å; Y49-C81 HydrophobicContact CE2-CB 4.19Å; Y49-C81 HydrophobicContact CG-CB 3.37Å; Y49-L82 HydrophobicContact CD2-CD2 4.1Å; Y49-L82 HydrophobicContact CE2-CD2 3.47Å; Y49-L82 VanDerWaalsContact CE2-CD2 3.47Å; Y49-L82 HydrophobicContact CE2-CG 4.46Å
50	S	98.1	Very high	97.9	Very high	5 Å²	5	73.7 Å²	73.7	4%	0.035	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	109.8	171.5	-179.9	0	0	0	0	109.3	L52 E53 N54 K55	S50-L52 PolarHBondContact O-N 2.88Å; S50-E53 PolarHBondContact O-N 3.39Å; S50-E53 PolarHBondContact OG-N 3.36Å; S50-N54 WeakPolarHBondContact O-CA 3.27Å; S50-N54 PolarHBondContact O-N 2.87Å; S50-K55 PolarHBondContact N-O 3.38Å; S50-K55 PolarHBondContact O-N 2.8Å
51	P	95.2	Very high	98	Very high	78 Å²	78	72 Å²	72	51%	0.506	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.7	175.8	26	-33.7	0	0	0	112.7	Y49	Y49-P51 HydrophobicContact CE1-CB 3.93Å; Y49-P51 WeakPolarHBondContact O-CD 3.06Å
52	L	95.5	Very high	98	Very high	169 Å²	169	67.2 Å²	67.2	89%	0.885	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-40.1	176.7	-65	177.3	0	0	0	111.9	S50	S50-L52 PolarHBondContact O-N 2.88Å
53	E	96.5	Very high	98	Very high	109 Å²	109	62.6 Å²	62.6	51%	0.509	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.6	-179.5	-66.4	178.5	-116.4	0	0	112.9	S50 K55 I57	S50-E53 PolarHBondContact O-N 3.39Å; S50-E53 PolarHBondContact OG-N 3.36Å; E53-K55 HydrophobicContact CB-CB 4.41Å; E53-K55 WeakPolarHBondContact O-CG 3.35Å; E53-K55 PolarHBondContact O-N 3.34Å; E53-I57 HydrophobicContact CB-CD1 4.33Å; E53-I57 HydrophobicContact CG-CD1 4.37Å; E53-I57 WeakPolarHBondContact OE1-CD1 3.41Å; E53-I57 WeakPolarHBondContact OE2-CD1 3.26Å
54	N	95.7	Very high	98	Very high	103 Å²	103	58.6 Å²	58.6	55%	0.551	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	41.4	-173.3	-170.8	40.9	0	0	0	112.3	Y49 S50	Y49-N54 PolarHBondContact OH-OD1 2.91Å; S50-N54 WeakPolarHBondContact O-CA 3.27Å; S50-N54 PolarHBondContact O-N 2.87Å
55	K	97.8	Very high	98	Very high	131 Å²	131	57.4 Å²	57.4	57%	0.57	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.3	-173.4	-73.3	174.7	-170.8	177.5	0	112	S50 E53 I57	S50-K55 PolarHBondContact N-O 3.38Å; S50-K55 PolarHBondContact O-N 2.8Å; E53-K55 HydrophobicContact CB-CB 4.41Å; E53-K55 WeakPolarHBondContact O-CG 3.35Å; E53-K55 PolarHBondContact O-N 3.34Å; K55-I57 HydrophobicContact CB-CG1 4.49Å
56	C	98.6	Very high	98	Very high	10 Å²	10	53.7 Å²	53.7	7%	0.068	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120	168.6	-72.6	0	0	0	0	110.3	Y48 C77 E78	Y48-C56 CarbonylContact O-C 3.54Å; Y48-C56 WeakPolarHBondContact O-CA 3.39Å; C56-C77 HydrophobicContact CB-CB 3.69Å; C56-C77 WeakPolarHBondContact CB-SG 3.33Å; C56-C77 WeakPolarHBondContact SG-CB 3.38Å; C56-C77 CovalentContact SG-SG 2.03Å; C56-C77 PolarHBondContact SG-SG 3.34Å; C56-E78 HydrophobicContact CB-CG 3.98Å; C56-E78 PolarHBondContact SG-N 2.95Å; C56-E78 VanDerWaalsContact SG-N 3.36Å
57	I	98.6	Very high	98	Very high	37 Å²	37	54.5 Å²	54.5	19%	0.19	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.1	-170.6	-57.1	175.9	0	0	0	109.2	F47 Y48 E53 K55	F47-I57 WeakPolarHBondContact CA-O 3.36Å; Y48-I57 HydrophobicContact CD1-CB 4.01Å; Y48-I57 WeakPolarHBondContact CD1-O 3.27Å; Y48-I57 HydrophobicContact CE1-CB 3.57Å; Y48-I57 HydrophobicContact CE1-CD1 4.23Å; Y48-I57 HydrophobicContact CE1-CG1 4.37Å; Y48-I57 HydrophobicContact CE1-CG2 3.94Å; Y48-I57 PolarHBondContact N-O 2.6Å; Y48-I57 PolarHBondContact O-N 3.33Å; E53-I57 HydrophobicContact CB-CD1 4.33Å; E53-I57 HydrophobicContact CG-CD1 4.37Å; E53-I57 WeakPolarHBondContact OE1-CD1 3.41Å; E53-I57 WeakPolarHBondContact OE2-CD1 3.26Å; K55-I57 HydrophobicContact CB-CG1 4.49Å
58	P	98.7	Very high	97.9	Very high	93 Å²	93	56.4 Å²	56.4	60%	0.604	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	143.6	176.3	28.9	-34.6	0	0	0	111.6	S46 F47	S46-P58 CarbonylContact O-C 3.51Å; S46-P58 WeakPolarHBondContact O-CA 3.27Å; F47-P58 HydrophobicContact CD1-CB 4.17Å; F47-P58 HydrophobicContact CE1-CB 3.84Å; F47-P58 HydrophobicContact CE1-CG 4.44Å; F47-P58 HydrophobicContact CZ-CB 4.33Å
59	F	98.7	Very high	97.9	Very high	21 Å²	21	54.7 Å²	54.7	9%	0.092	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	164.3	172	79	-75.9	0	0	0	111	L35 K37 S46 Y48 Y61 R70	L35-F59 HydrophobicContact CD1-CB 4.08Å; L35-F59 HydrophobicContact CD1-CD2 4.35Å; L35-F59 HydrophobicContact CD1-CG 4.12Å; L35-F59 HydrophobicContact CG-CD2 4.45Å; K37-F59 HydrophobicContact CG-CD2 4.48Å; S46-F59 PolarHBondContact N-O 3.08Å; S46-F59 PolarHBondContact O-N 2.87Å; Y48-F59 HydrophobicContact CD1-CD1 4.02Å; Y48-F59 HydrophobicContact CG-CD1 4.42Å; F59-Y61 HydrophobicContact CE2-CD2 4.5Å; F59-R70 HydrophobicContact CE1-CG 4.24Å; F59-R70 HydrophobicContact CZ-CB 4.21Å; F59-R70 HydrophobicContact CZ-CG 3.79Å
60	T	98.7	Very high	97.9	Very high	67 Å²	67	57.5 Å²	57.5	41%	0.411	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.8	174.6	-50.9	0	0	0	0	110.3	N43	N43-T60 HydrophobicContact CB-CG2 3.79Å
61	Y	98.8	Very high	98	Very high	14 Å²	14	58.4 Å²	58.4	6%	0.055	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	139.8	170.7	178.7	-122.5	0	0	0	110.7	K37 E44 F59 G63 C64 G66	K37-Y61 WeakPolarHBondContact O-CD2 3.39Å; E44-Y61 HydrophobicContact CB-CD1 4.47Å; E44-Y61 PolarHBondContact N-O 3.46Å; E44-Y61 PolarHBondContact O-N 2.66Å; F59-Y61 HydrophobicContact CE2-CD2 4.5Å; Y61-G63 VanDerWaalsContact CE1-O 3.27Å; Y61-G63 WeakPolarHBondContact CE1-O 3.41Å; Y61-G63 PolarHBondContact OH-O 3.45Å; Y61-C64 VanDerWaalsContact OH-C 3.31Å; Y61-C64 WeakPolarHBondContact OH-CA 3.49Å; Y61-C64 PolarHBondContact OH-N 3.36Å; Y61-G66 PolarHBondContact OH-N 2.03Å
62	K	98.7	Very high	98.1	Very high	65 Å²	65	62.5 Å²	62.5	28%	0.283	33%	0.33	S	S	.	.			trans	-89	-2.8	-173.5	-70.1	-53.2	-163.2	177.3	0	114.9	K37 C40 Q42 N43	K37-K62 HydrophobicContact CB-CG 4.42Å; K37-K62 WeakPolarHBondContact O-CB 2.99Å; K37-K62 WeakPolarHBondContact O-CG 3.4Å; K37-K62 PolarHBondContact O-N 2.64Å; C40-K62 CarbonylContact C-O 3.25Å; C40-K62 VanDerWaalsContact C-O 3.25Å; C40-K62 WeakPolarHBondContact CA-O 3.45Å; C40-K62 WeakPolarHBondContact CB-O 3.2Å; C40-K62 WeakPolarHBondContact O-CB 2.98Å; Q42-K62 WeakPolarHBondContact CB-O 3.35Å; Q42-K62 PolarHBondContact N-O 3.5Å; Q42-K62 VanDerWaalsContact N-O 3.07Å; Q42-K62 WeakPolarHBondContact O-CA 3.39Å; Q42-K62 VanDerWaalsContact O-CD 3.27Å; Q42-K62 WeakPolarHBondContact O-CD 3.44Å; N43-K62 PolarHBondContact OD1-NZ 2.83Å
63	G	98.1	Very high	98.3	Very high	22 Å²	22	57.4 Å²	57.4	23%	0.227	31%	0.306	C	S	.	.	S	Bend	trans	103.1	-34.8	177.2	0	0	0	0	0	114.5	Y61	Y61-G63 VanDerWaalsContact CE1-O 3.27Å; Y61-G63 WeakPolarHBondContact CE1-O 3.41Å; Y61-G63 PolarHBondContact OH-O 3.45Å
64	C	98.5	Very high	98.4	Very high	30 Å²	30	56.2 Å²	56.2	20%	0.203	30%	0.299	C	S	.	.	S	Bend	trans	-138.3	159.9	178.8	75.1	0	0	0	0	112.6	G38 Y39 C40 Y61 G66	G38-C64 CarbonylContact C-O 3.57Å; G38-C64 WeakPolarHBondContact CA-O 3.33Å; Y39-C64 WeakPolarHBondContact CE2-SG 3.33Å; Y39-C64 PolarHBondContact N-O 3.28Å; C40-C64 HydrophobicContact CB-CB 3.92Å; C40-C64 WeakPolarHBondContact CB-SG 3.32Å; C40-C64 PolarHBondContact N-SG 3.17Å; C40-C64 VanDerWaalsContact N-SG 3.43Å; C40-C64 WeakPolarHBondContact SG-CB 3.26Å; C40-C64 CovalentContact SG-SG 2.02Å; C40-C64 PolarHBondContact SG-SG 2.87Å; Y61-C64 VanDerWaalsContact OH-C 3.31Å; Y61-C64 WeakPolarHBondContact OH-CA 3.49Å; Y61-C64 PolarHBondContact OH-N 3.36Å; C64-G66 VanDerWaalsContact C-N 3.32Å; C64-G66 PolarHBondContact O-N 3.27Å
65	G	98.2	Very high	98.5	Very high	34 Å²	34	56.2 Å²	56.2	35%	0.351	30%	0.296	S	S	.	.	S	Bend	trans	76.7	13.5	176	0	0	0	0	0	115.3
66	G	98.1	Very high	98.5	Very high	26 Å²	26	51.3 Å²	51.3	27%	0.268	28%	0.28	S	S	.	.			trans	-77.6	-173.4	172.9	0	0	0	0	0	113	Y61 C64	Y61-G66 PolarHBondContact OH-N 2.03Å; C64-G66 VanDerWaalsContact C-N 3.32Å; C64-G66 PolarHBondContact O-N 3.27Å
67	N	98.5	Very high	98.5	Very high	19 Å²	19	50.9 Å²	50.9	10%	0.102	28%	0.276	C	S	.	.			trans	-133.2	-172.4	170.3	61.4	19.5	0	0	0	110.2	L33 P34 K36 N69 R70	L33-N67 HydrophobicContact CD1-CB 4.17Å; P34-N67 PolarHBondContact O-ND2 3.46Å; K36-N67 HydrophobicContact CD-CB 4.34Å; N67-N69 VanDerWaalsContact C-N 3.33Å; N67-N69 PolarHBondContact O-N 3.44Å; N67-N69 PolarHBondContact OD1-N 3.45Å; N67-R70 PolarHBondContact O-NH1 2.82Å; N67-R70 VanDerWaalsContact O-NH1 3.1Å
68	E	98.1	Very high	98.4	Very high	88 Å²	88	51.8 Å²	51.8	41%	0.411	28%	0.28	S	S	.	.	S	Bend	trans	-75.7	-14.4	-175.7	-62	89.3	159.3	0	0	114.5	K25 I30 L33 R70	K25-E68 IonicContact NZ-OE1 2.81Å; K25-E68 PolarHBondContact NZ-OE1 2.94Å; K25-E68 IonicContact NZ-OE2 2.65Å; K25-E68 PolarHBondContact NZ-OE2 3.36Å; I30-E68 HydrophobicContact CB-CB 4.5Å; I30-E68 HydrophobicContact CG1-CB 4.06Å; I30-E68 HydrophobicContact CG2-CB 3.86Å; I30-E68 WeakPolarHBondContact CG2-O 3.38Å; L33-E68 HydrophobicContact CD1-CB 4.15Å; L33-E68 WeakPolarHBondContact CD1-OE2 3.44Å; E68-R70 PolarHBondContact O-N 2.93Å
69	N	98.7	Very high	98.3	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	28%	0.284	C	S	.	.	S	Bend	trans	-77.7	57.1	170	-166.5	6.5	0	0	0	110.4	I30 L33 Y48 Y49 N67	I30-N69 WeakPolarHBondContact O-CB 2.93Å; L33-N69 HydrophobicContact CB-CB 3.95Å; L33-N69 PolarHBondContact O-ND2 3.01Å; Y48-N69 VanDerWaalsContact CB-O 3.3Å; Y48-N69 WeakPolarHBondContact CB-O 3.46Å; Y49-N69 PolarHBondContact N-OD1 2.94Å; Y49-N69 PolarHBondContact O-ND2 3.31Å; N67-N69 VanDerWaalsContact C-N 3.33Å; N67-N69 PolarHBondContact O-N 3.44Å; N67-N69 PolarHBondContact OD1-N 3.45Å
70	R	98.8	Very high	98.2	Very high	85 Å²	85	58.5 Å²	58.5	32%	0.321	30%	0.296	S	S	.	.			trans	-147.1	121.3	-179.6	-177.8	-178.2	86.7	-97.6	5.7	109	F47 F59 N67 E68	F47-R70 CarbonylContact O-C 3.59Å; F47-R70 WeakPolarHBondContact O-CA 3.44Å; F59-R70 HydrophobicContact CE1-CG 4.24Å; F59-R70 HydrophobicContact CZ-CB 4.21Å; F59-R70 HydrophobicContact CZ-CG 3.79Å; N67-R70 PolarHBondContact O-NH1 2.82Å; N67-R70 VanDerWaalsContact O-NH1 3.1Å; E68-R70 PolarHBondContact O-N 2.93Å
71	F	98.8	Very high	98.1	Very high	24 Å²	24	55.9 Å²	55.9	11%	0.105	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-128.2	144.1	-177.8	-52.5	-86.4	0	0	0	110.1	I30 S46 F47 T73 A76 C77 M80	I30-F71 HydrophobicContact CG2-CZ 4.2Å; S46-F71 CarbonylContact C-O 3.53Å; S46-F71 WeakPolarHBondContact CA-O 3.38Å; F47-F71 PolarHBondContact N-O 2.74Å; F47-F71 WeakPolarHBondContact O-CD2 3.3Å; F47-F71 PolarHBondContact O-N 2.86Å; F71-T73 VanDerWaalsContact C-N 3.34Å; F71-A76 HydrophobicContact CB-CB 4.24Å; F71-A76 HydrophobicContact CD1-CB 4.48Å; F71-C77 HydrophobicContact CB-CB 3.81Å; F71-C77 HydrophobicContact CD2-CB 3.37Å; F71-C77 HydrophobicContact CE2-CB 4.07Å; F71-C77 VanDerWaalsContact CG-CA 3.48Å; F71-C77 HydrophobicContact CG-CB 3.66Å; F71-M80 HydrophobicContact CE1-CB 3.63Å; F71-M80 HydrophobicContact CE1-CG 3.72Å; F71-M80 HydrophobicContact CZ-CB 3.78Å; F71-M80 HydrophobicContact CZ-CG 3.69Å
72	K	98.4	Very high	98	Very high	165 Å²	165	58 Å²	58	72%	0.717	29%	0.292	S	S	*	.	S	Bend	trans	-72.5	-26.8	-179.7	-67.1	-174.5	175.5	-175.1	0	113.5
73	T	98.6	Very high	97.2	Very high	62 Å²	62	60.1 Å²	60.1	38%	0.38	30%	0.302	S	S	.	.	S	Bend	trans	-132.6	157.1	178.9	84.4	0	0	0	0	111	F47 F71 E75 A76 C77	F47-T73 VanDerWaalsContact CD2-C 3.41Å; F71-T73 VanDerWaalsContact C-N 3.34Å; T73-E75 VanDerWaalsContact C-N 3.31Å; T73-E75 VanDerWaalsContact CB-OE2 3.24Å; T73-E75 WeakPolarHBondContact CB-OE2 3.48Å; T73-E75 PolarHBondContact O-N 2.84Å; T73-E75 PolarHBondContact OG1-OE2 3.3Å; T73-A76 PolarHBondContact O-N 2.03Å; T73-A76 PolarHBondContact OG1-N 3.11Å; T73-C77 PolarHBondContact O-N 3.08Å
74	K	98.4	Very high	95.8	Very high	84 Å²	84	69.8 Å²	69.8	37%	0.365	33%	0.331	S	S	.	.	H	α-helix	trans	-59.9	-43.7	177.2	-176.8	170	174.3	-74.7	0	110.8	F47 A76 C77 E78	F47-K74 HydrophobicContact CD1-CB 3.92Å; F47-K74 HydrophobicContact CD1-CG 4.31Å; F47-K74 HydrophobicContact CD2-CB 4.47Å; F47-K74 HydrophobicContact CE1-CB 3.7Å; F47-K74 HydrophobicContact CE1-CD 4.31Å; F47-K74 HydrophobicContact CE1-CG 4.21Å; F47-K74 HydrophobicContact CE2-CB 4.29Å; F47-K74 HydrophobicContact CG-CB 4.3Å; F47-K74 HydrophobicContact CZ-CB 3.9Å; K74-A76 VanDerWaalsContact C-N 3.3Å; K74-A76 PolarHBondContact O-N 2.9Å; K74-C77 WeakPolarHBondContact O-CB 3.24Å; K74-C77 PolarHBondContact O-N 3.28Å; K74-C77 VanDerWaalsContact O-N 3.14Å; K74-E78 WeakPolarHBondContact CE-OE1 3.21Å; K74-E78 HydrophobicContact CG-CG 4.25Å; K74-E78 IonicContact NZ-OE1 2.64Å; K74-E78 PolarHBondContact NZ-OE1 2.74Å; K74-E78 IonicContact NZ-OE2 3.45Å; K74-E78 PolarHBondContact NZ-OE2 2.67Å; K74-E78 VanDerWaalsContact O-CG 3.32Å; K74-E78 WeakPolarHBondContact O-CG 3.37Å; K74-E78 PolarHBondContact O-N 3.17Å
75	E	97.9	Very high	94	Very high	103 Å²	103	74 Å²	74	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-64.4	-35.2	-177.7	-55.5	67.6	-142.3	0	0	111.6	T73 R79	T73-E75 VanDerWaalsContact C-N 3.31Å; T73-E75 VanDerWaalsContact CB-OE2 3.24Å; T73-E75 WeakPolarHBondContact CB-OE2 3.48Å; T73-E75 PolarHBondContact O-N 2.84Å; T73-E75 PolarHBondContact OG1-OE2 3.3Å; E75-R79 WeakPolarHBondContact O-CB 3.39Å; E75-R79 PolarHBondContact O-N 3.29Å
76	A	98.2	Very high	91.9	Very high	28 Å²	28	77.2 Å²	77.2	23%	0.231	37%	0.374	C	S	.	.	H	α-helix	trans	-67.6	-41.9	175.1	0	0	0	0	0	112.1	F71 T73 K74 M80	F71-A76 HydrophobicContact CB-CB 4.24Å; F71-A76 HydrophobicContact CD1-CB 4.48Å; T73-A76 PolarHBondContact O-N 2.03Å; T73-A76 PolarHBondContact OG1-N 3.11Å; K74-A76 VanDerWaalsContact C-N 3.3Å; K74-A76 PolarHBondContact O-N 2.9Å; A76-M80 WeakPolarHBondContact O-CB 3.44Å; A76-M80 PolarHBondContact O-N 3.1Å; A76-M80 VanDerWaalsContact O-N 3.17Å
77	C	98.6	Very high	90.2	Very high	0 Å²	0	83 Å²	83	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-62.2	-49	173.4	178.2	0	0	0	0	111.2	F47 C56 F71 T73 K74 R79 M80 C81	F47-C77 HydrophobicContact CB-CB 4.05Å; C56-C77 HydrophobicContact CB-CB 3.69Å; C56-C77 WeakPolarHBondContact CB-SG 3.33Å; C56-C77 WeakPolarHBondContact SG-CB 3.38Å; C56-C77 CovalentContact SG-SG 2.03Å; C56-C77 PolarHBondContact SG-SG 3.34Å; F71-C77 HydrophobicContact CB-CB 3.81Å; F71-C77 HydrophobicContact CD2-CB 3.37Å; F71-C77 HydrophobicContact CE2-CB 4.07Å; F71-C77 VanDerWaalsContact CG-CA 3.48Å; F71-C77 HydrophobicContact CG-CB 3.66Å; T73-C77 PolarHBondContact O-N 3.08Å; K74-C77 WeakPolarHBondContact O-CB 3.24Å; K74-C77 PolarHBondContact O-N 3.28Å; K74-C77 VanDerWaalsContact O-N 3.14Å; C77-R79 PolarHBondContact O-N 2.77Å; C77-M80 PolarHBondContact O-N 2.94Å; C77-C81 WeakPolarHBondContact O-CB 3.27Å; C77-C81 PolarHBondContact O-N 3.46Å
78	E	97.4	Very high	88.1	Confident	56 Å²	56	90.7 Å²	90.7	26%	0.262	44%	0.44	S	S	.	.	H	α-helix	trans	-64.8	-41.9	-177.4	-68.7	-178.8	157.9	0	0	111.5	C56 K74 M80 C81 L82	C56-E78 HydrophobicContact CB-CG 3.98Å; C56-E78 PolarHBondContact SG-N 2.95Å; C56-E78 VanDerWaalsContact SG-N 3.36Å; K74-E78 WeakPolarHBondContact CE-OE1 3.21Å; K74-E78 HydrophobicContact CG-CG 4.25Å; K74-E78 IonicContact NZ-OE1 2.64Å; K74-E78 PolarHBondContact NZ-OE1 2.74Å; K74-E78 IonicContact NZ-OE2 3.45Å; K74-E78 PolarHBondContact NZ-OE2 2.67Å; K74-E78 VanDerWaalsContact O-CG 3.32Å; K74-E78 WeakPolarHBondContact O-CG 3.37Å; K74-E78 PolarHBondContact O-N 3.17Å; E78-M80 VanDerWaalsContact C-N 3.28Å; E78-M80 PolarHBondContact O-N 3.25Å; E78-C81 PolarHBondContact O-N 3.3Å; E78-L82 HydrophobicContact CB-CD1 3.92Å; E78-L82 HydrophobicContact CB-CG 4.31Å; E78-L82 HydrophobicContact CG-CD1 3.63Å; E78-L82 HydrophobicContact CG-CG 4.34Å; E78-L82 WeakPolarHBondContact O-CA 3.37Å; E78-L82 VanDerWaalsContact O-CB 3.26Å; E78-L82 WeakPolarHBondContact O-CB 3.47Å; E78-L82 PolarHBondContact O-N 3.46Å
79	R	96.4	Very high	85.9	Confident	185 Å²	185	90.6 Å²	90.6	70%	0.698	45%	0.448	S	S	*	.	H	α-helix	trans	-62.2	-35.7	176	-168.6	-174.2	-49.4	99.9	6.5	112.7	E75 C77	E75-R79 WeakPolarHBondContact O-CB 3.39Å; E75-R79 PolarHBondContact O-N 3.29Å; C77-R79 PolarHBondContact O-N 2.77Å
80	M	96.3	Very high	84.2	Confident	70 Å²	70	96.7 Å²	96.7	35%	0.345	49%	0.486	S	S	.	.	H	α-helix	trans	-76.3	-44.8	179.2	-175.1	62.4	72.7	0	0	111.8	P27 F71 A76 C77 E78	P27-M80 HydrophobicContact CB-CG 4.48Å; P27-M80 HydrophobicContact CB-SD 3.69Å; P27-M80 HydrophobicContact CG-SD 3.82Å; F71-M80 HydrophobicContact CE1-CB 3.63Å; F71-M80 HydrophobicContact CE1-CG 3.72Å; F71-M80 HydrophobicContact CZ-CB 3.78Å; F71-M80 HydrophobicContact CZ-CG 3.69Å; A76-M80 WeakPolarHBondContact O-CB 3.44Å; A76-M80 PolarHBondContact O-N 3.1Å; A76-M80 VanDerWaalsContact O-N 3.17Å; C77-M80 PolarHBondContact O-N 2.94Å; E78-M80 VanDerWaalsContact C-N 3.28Å; E78-M80 PolarHBondContact O-N 3.25Å
81	C	97.5	Very high	82.4	Confident	13 Å²	13	98.1 Å²	98.1	9%	0.088	50%	0.504	C	S	.	.	H	α-helix	trans	-107.9	-28.7	-164.3	-60.2	0	0	0	0	114.7	C31 Y49 C77 E78 K83	C31-C81 HydrophobicContact CB-CB 3.68Å; C31-C81 WeakPolarHBondContact CB-SG 3.27Å; C31-C81 WeakPolarHBondContact SG-CA 3.22Å; C31-C81 WeakPolarHBondContact SG-CB 3.44Å; C31-C81 CovalentContact SG-SG 2.03Å; C31-C81 PolarHBondContact SG-SG 2.84Å; Y49-C81 WeakPolarHBondContact CB-SG 3.17Å; Y49-C81 HydrophobicContact CD1-CB 3.86Å; Y49-C81 HydrophobicContact CD2-CB 3.57Å; Y49-C81 HydrophobicContact CE1-CB 4.4Å; Y49-C81 HydrophobicContact CE2-CB 4.19Å; Y49-C81 HydrophobicContact CG-CB 3.37Å; C77-C81 WeakPolarHBondContact O-CB 3.27Å; C77-C81 PolarHBondContact O-N 3.46Å; E78-C81 PolarHBondContact O-N 3.3Å; C81-K83 PolarHBondContact O-N 3.34Å
82	L	95.2	Very high	80.2	Confident	57 Å²	57	104.2 Å²	104.2	30%	0.298	54%	0.538	S	S	.	.			trans	-91	87.6	176.2	-59	-177	0	0	0	109.5	Y49 E78 R84	Y49-L82 HydrophobicContact CD2-CD2 4.1Å; Y49-L82 HydrophobicContact CE2-CD2 3.47Å; Y49-L82 VanDerWaalsContact CE2-CD2 3.47Å; Y49-L82 HydrophobicContact CE2-CG 4.46Å; E78-L82 HydrophobicContact CB-CD1 3.92Å; E78-L82 HydrophobicContact CB-CG 4.31Å; E78-L82 HydrophobicContact CG-CD1 3.63Å; E78-L82 HydrophobicContact CG-CG 4.34Å; E78-L82 WeakPolarHBondContact O-CA 3.37Å; E78-L82 VanDerWaalsContact O-CB 3.26Å; E78-L82 WeakPolarHBondContact O-CB 3.47Å; E78-L82 PolarHBondContact O-N 3.46Å; L82-R84 PolarHBondContact O-N 3.25Å
83	K	81.7	Confident	78.1	Confident	110 Å²	110	102.3 Å²	102.3	48%	0.478	53%	0.531	S	S	.	.			trans	-65.8	129.8	169.9	-69	179.5	176.6	174.2	0	109.5	D28 C81 S85	D28-K83 VanDerWaalsContact OD1-CE 3.27Å; D28-K83 WeakPolarHBondContact OD1-CE 2.97Å; D28-K83 IonicContact OD1-NZ 2.67Å; D28-K83 PolarHBondContact OD1-NZ 2.93Å; D28-K83 IonicContact OD2-NZ 2.74Å; D28-K83 PolarHBondContact OD2-NZ 2.86Å; C81-K83 PolarHBondContact O-N 3.34Å; K83-S85 PolarHBondContact O-N 3.45Å
84	R	70.2	Confident	75.7	Confident	225 Å²	225	104.8 Å²	104.8	85%	0.849	55%	0.548	S	S	*	.			trans	-66.8	123.6	162.4	-67.3	-179	-177.6	156.5	0.2	107.1	L82 T86	L82-R84 PolarHBondContact O-N 3.25Å; R84-T86 HydrophobicContact CB-CG2 4.36Å; R84-T86 PolarHBondContact O-N 3.19Å
85	S	60.8	Low	73.5	Confident	120 Å²	120	107.9 Å²	107.9	84%	0.839	56%	0.562	S	S	*	*			trans	-70.7	50.7	172.8	48.4	0	0	0	0	111.5	K83 V87	K83-S85 PolarHBondContact O-N 3.45Å; S85-V87 PolarHBondContact O-N 2.86Å
86	T	53.8	Low	70.8	Confident	100 Å²	100	108.9 Å²	108.9	61%	0.613	58%	0.575	S	S	*	*			trans	-97.2	71.7	174.6	49	0	0	0	0	109.3	R84 Q88	R84-T86 HydrophobicContact CB-CG2 4.36Å; R84-T86 PolarHBondContact O-N 3.19Å; T86-Q88 PolarHBondContact O-N 3.14Å
87	V	61.5	Low	68.5	Low	147 Å²	147	112.3 Å²	112.3	89%	0.891	59%	0.593	S	S	*	*	S	Bend	trans	43.9	2.6	152.5	-178.5	0	0	0	0	119.8	S85	S85-V87 PolarHBondContact O-N 2.86Å
88	Q	54.8	Low	66.2	Low	182 Å²	182	115.4 Å²	115.4	85%	0.85	61%	0.613	S	S	*	*			trans	-133.4	91.5	-175.9	-69.1	-168.3	-18.9	0	0	111	T86	T86-Q88 PolarHBondContact O-N 3.14Å
89	S	52.3	Low	64.5	Low	85 Å²	85	118.3 Å²	118.3	59%	0.594	64%	0.64	S	S	*	*				-169.5	76.4	126.5	70.1	0	0	0	0	108.6
90	V	63.7	Low	62.9	Low	130 Å²	130	117.7 Å²	117.7	79%	0.788	64%	0.638	S	S	*	*			trans	-57	146.9	133.6	-178.4	0	0	0	0	105.9
91	T	60	Low	61.2	Low	114 Å²	114	120 Å²	120	70%	0.699	65%	0.646	S	S	*	*	S	Bend	trans	78.6	73.5	-179.8	78.1	0	0	0	0	116.4
92	N	53.3	Low	59.6	Low	153 Å²	153	123.4 Å²	123.4	82%	0.818	67%	0.67	S	S	*	*	S	Bend		174.3	102.7	117.7	-79.8	-22.7	0	0	0	108.3
93	Q	54.1	Low	58.2	Low	125 Å²	125	123.4 Å²	123.4	58%	0.584	68%	0.677	S	S	*	*	S	Bend	trans	83.9	136.8	-176.3	-56.2	-161.1	-36.8	0	0	116.8	K95	Q93-K95 PolarHBondContact O-N 3.17Å; Q93-K95 VanDerWaalsContact O-N 3.08Å
94	P	47.5	Very low	57.9	Low	114 Å²	114	122.1 Å²	122.1	74%	0.74	68%	0.676	S	S	*	*			trans	-75.4	107.5	-164.3	30.2	-31.7	0	0	0	109	T96	P94-T96 PolarHBondContact O-N 3.34Å
95	K	52.1	Low	57.9	Low	149 Å²	149	117 Å²	117	65%	0.648	66%	0.662	S	S	*	*			trans	-61.4	99	144.8	-70.5	178.1	-165.3	169.4	0	104.7	Q93 T97	Q93-K95 PolarHBondContact O-N 3.17Å; Q93-K95 VanDerWaalsContact O-N 3.08Å; K95-T97 VanDerWaalsContact C-N 3.32Å; K95-T97 PolarHBondContact O-N 3.25Å
96	T	41.9	Very low	58.8	Low	124 Å²	124	115.1 Å²	115.1	76%	0.761	65%	0.645	S	S	*	*			trans	-49.6	109.8	162	46.8	0	0	0	0	104.7	P94	P94-T96 PolarHBondContact O-N 3.34Å
97	T	48.6	Very low	60.1	Low	100 Å²	100	114 Å²	114	61%	0.613	64%	0.638	S	S	*	*			trans	-43.8	137.1	165.1	45.9	0	0	0	0	106.3	K95 S99	K95-T97 VanDerWaalsContact C-N 3.32Å; K95-T97 PolarHBondContact O-N 3.25Å; T97-S99 PolarHBondContact O-N 2.79Å
98	P	52.1	Low	61.1	Low	64 Å²	64	109.3 Å²	109.3	42%	0.416	62%	0.615	S	S	.	*			trans	-47.1	122.7	179.2	-25.2	32.3	0	0	0	107.8	W100 K101	P98-W100 HydrophobicContact CB-CG 4.19Å; P98-W100 PolarHBondContact O-N 2.92Å; P98-K101 PolarHBondContact O-N 3.1Å
99	S	60.5	Low	62.4	Low	117 Å²	117	108.8 Å²	108.8	82%	0.818	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-55.9	-9.7	-168.6	-170	0	0	0	0	113.3	T97	T97-S99 PolarHBondContact O-N 2.79Å
100	W	62.5	Low	63.9	Low	173 Å²	173	109.3 Å²	109.3	66%	0.655	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-85.4	-12.1	176.2	66.4	-90.7	0	0	0	115.2	P98 S102 A103 N104	P98-W100 HydrophobicContact CB-CG 4.19Å; P98-W100 PolarHBondContact O-N 2.92Å; W100-S102 VanDerWaalsContact C-N 3.3Å; W100-S102 PolarHBondContact O-N 2.79Å; W100-A103 PolarHBondContact O-N 2.83Å; W100-N104 PolarHBondContact O-N 3.49Å; W100-N104 PolarHBondContact O-OD1 2.83Å
101	K	61.9	Low	64.7	Low	119 Å²	119	106.7 Å²	106.7	52%	0.517	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-77.1	-8.8	175	-73.1	-162.6	-179.6	-172.2	0	114.7	P98 N104	P98-K101 PolarHBondContact O-N 3.1Å; K101-N104 WeakPolarHBondContact CA-OD1 3.13Å; K101-N104 PolarHBondContact O-OD1 3.27Å
102	S	63	Low	65.8	Low	84 Å²	84	105.8 Å²	105.8	59%	0.587	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-31.3	171.8	-154	0	0	0	0	111.4	W100 T106	W100-S102 VanDerWaalsContact C-N 3.3Å; W100-S102 PolarHBondContact O-N 2.79Å; S102-T106 PolarHBondContact O-N 2.81Å; S102-T106 PolarHBondContact O-OG1 3.48Å
103	A	67	Low	67.1	Low	56 Å²	56	103.7 Å²	103.7	46%	0.463	56%	0.563	S	S	.	*	H	α-helix	trans	-65.9	-44.7	178.1	0	0	0	0	0	112	W100 E105 T106 T107	W100-A103 PolarHBondContact O-N 2.83Å; A103-E105 VanDerWaalsContact C-N 3.35Å; A103-E105 PolarHBondContact O-N 3.35Å; A103-T106 PolarHBondContact O-N 2.65Å; A103-T107 PolarHBondContact O-N 2.74Å; A103-T107 PolarHBondContact O-OG1 2.92Å
104	N	73.9	Confident	68.8	Low	83 Å²	83	101.4 Å²	101.4	44%	0.444	56%	0.558	S	S	.	*	H	α-helix	trans	-65.1	-32.8	179.6	61.4	-19.3	0	0	0	113.4	W100 K101 A108	W100-N104 PolarHBondContact O-N 3.49Å; W100-N104 PolarHBondContact O-OD1 2.83Å; K101-N104 WeakPolarHBondContact CA-OD1 3.13Å; K101-N104 PolarHBondContact O-OD1 3.27Å; N104-A108 WeakPolarHBondContact O-CB 3.46Å; N104-A108 PolarHBondContact O-N 2.96Å
105	E	71.2	Confident	70.5	Confident	119 Å²	119	102.8 Å²	102.8	56%	0.556	55%	0.552	S	S	*	*	H	α-helix	trans	-74.3	-35.9	177.9	-166.1	158.7	179.2	0	0	112.4	A103 A108 R109	A103-E105 VanDerWaalsContact C-N 3.35Å; A103-E105 PolarHBondContact O-N 3.35Å; E105-A108 PolarHBondContact O-N 2.78Å; E105-R109 PolarHBondContact O-N 3.46Å
106	T	79.7	Confident	71.7	Confident	80 Å²	80	99.5 Å²	99.5	49%	0.491	55%	0.548	S	S	.	.	H	α-helix	trans	-67.9	-43	173.5	-56.7	0	0	0	0	110.7	S102 A103 A108 R109 I110	S102-T106 PolarHBondContact O-N 2.81Å; S102-T106 PolarHBondContact O-OG1 3.48Å; A103-T106 PolarHBondContact O-N 2.65Å; T106-A108 VanDerWaalsContact C-N 3.34Å; T106-A108 PolarHBondContact O-N 3.43Å; T106-R109 PolarHBondContact O-N 3.44Å; T106-I110 HydrophobicContact CG2-CD1 3.94Å; T106-I110 VanDerWaalsContact O-CG1 3.31Å; T106-I110 WeakPolarHBondContact O-CG1 3.02Å; T106-I110 PolarHBondContact O-N 3.19Å
107	T	81.3	Confident	73.2	Confident	76 Å²	76	98.4 Å²	98.4	47%	0.466	54%	0.541	S	S	.	.	H	α-helix	trans	-59.5	-43.8	172.9	-56.4	0	0	0	0	111.4	A103 R109 I110 I111	A103-T107 PolarHBondContact O-N 2.74Å; A103-T107 PolarHBondContact O-OG1 2.92Å; T107-R109 PolarHBondContact O-N 2.94Å; T107-I110 PolarHBondContact O-N 2.85Å; T107-I111 HydrophobicContact CG2-CD1 3.74Å; T107-I111 HydrophobicContact CG2-CG1 4.31Å; T107-I111 WeakPolarHBondContact O-CB 3.5Å; T107-I111 VanDerWaalsContact O-CG1 3.23Å; T107-I111 WeakPolarHBondContact O-CG1 3.44Å; T107-I111 PolarHBondContact O-N 3.34Å
108	A	81.6	Confident	74.1	Confident	49 Å²	49	98.5 Å²	98.5	41%	0.405	55%	0.546	S	S	.	.	H	α-helix	trans	-59.7	-43.9	176.6	0	0	0	0	0	111.9	N104 E105 T106 I111 T112	N104-A108 WeakPolarHBondContact O-CB 3.46Å; N104-A108 PolarHBondContact O-N 2.96Å; E105-A108 PolarHBondContact O-N 2.78Å; T106-A108 VanDerWaalsContact C-N 3.34Å; T106-A108 PolarHBondContact O-N 3.43Å; A108-I111 PolarHBondContact O-N 3.25Å; A108-T112 PolarHBondContact O-N 3.07Å; A108-T112 VanDerWaalsContact O-N 3.08Å; A108-T112 PolarHBondContact O-OG1 3.17Å
109	R	83.4	Confident	74.6	Confident	171 Å²	171	104 Å²	104	65%	0.645	57%	0.566	S	S	*	*	H	α-helix	trans	-63.4	-44.2	175.7	-74.1	-176.6	-176.6	-135.5	1.8	112.7	E105 T106 T107 I111 T112 I113	E105-R109 PolarHBondContact O-N 3.46Å; T106-R109 PolarHBondContact O-N 3.44Å; T107-R109 PolarHBondContact O-N 2.94Å; R109-I111 VanDerWaalsContact C-N 3.33Å; R109-I111 PolarHBondContact O-N 3.37Å; R109-T112 PolarHBondContact O-N 2.02Å; R109-I113 WeakPolarHBondContact O-CG1 3.42Å; R109-I113 PolarHBondContact O-N 3.01Å
110	I	82	Confident	74.6	Confident	96 Å²	96	108 Å²	108	49%	0.492	57%	0.569	S	S	.	*	H	α-helix	trans	-62.4	-42	177.9	-67.5	168	0	0	0	110.7	T106 T107 T112 I113 T114	T106-I110 HydrophobicContact CG2-CD1 3.94Å; T106-I110 VanDerWaalsContact O-CG1 3.31Å; T106-I110 WeakPolarHBondContact O-CG1 3.02Å; T106-I110 PolarHBondContact O-N 3.19Å; T107-I110 PolarHBondContact O-N 2.85Å; I110-T112 VanDerWaalsContact C-N 3.32Å; I110-T112 PolarHBondContact O-N 2.91Å; I110-I113 PolarHBondContact O-N 3.38Å; I110-T114 HydrophobicContact CG2-CG2 4.42Å; I110-T114 WeakPolarHBondContact O-CG2 3.48Å; I110-T114 PolarHBondContact O-N 2.93Å; I110-T114 PolarHBondContact O-OG1 3.43Å
111	I	80.5	Confident	74.2	Confident	75 Å²	75	112.4 Å²	112.4	39%	0.385	59%	0.593	S	S	.	*	H	α-helix	trans	-61.3	-40.4	176.4	-70.1	168.3	0	0	0	111	T107 A108 R109 T114 K115	T107-I111 HydrophobicContact CG2-CD1 3.74Å; T107-I111 HydrophobicContact CG2-CG1 4.31Å; T107-I111 WeakPolarHBondContact O-CB 3.5Å; T107-I111 VanDerWaalsContact O-CG1 3.23Å; T107-I111 WeakPolarHBondContact O-CG1 3.44Å; T107-I111 PolarHBondContact O-N 3.34Å; A108-I111 PolarHBondContact O-N 3.25Å; R109-I111 VanDerWaalsContact C-N 3.33Å; R109-I111 PolarHBondContact O-N 3.37Å; I111-T114 WeakPolarHBondContact CA-OG1 3.02Å; I111-T114 PolarHBondContact O-OG1 3.46Å; I111-K115 HydrophobicContact CG2-CD 4.02Å; I111-K115 WeakPolarHBondContact O-CB 3.13Å; I111-K115 VanDerWaalsContact O-CG 3.28Å; I111-K115 WeakPolarHBondContact O-CG 3.47Å; I111-K115 PolarHBondContact O-N 3.36Å; I111-K115 VanDerWaalsContact O-N 3.08Å
112	T	83	Confident	74.8	Confident	94 Å²	94	112.1 Å²	112.1	58%	0.577	60%	0.596	S	S	*	*	H	α-helix	trans	-69.9	-41.8	179	-46.3	0	0	0	0	112.2	A108 R109 I110 K115 S116	A108-T112 PolarHBondContact O-N 3.07Å; A108-T112 VanDerWaalsContact O-N 3.08Å; A108-T112 PolarHBondContact O-OG1 3.17Å; R109-T112 PolarHBondContact O-N 2.02Å; I110-T112 VanDerWaalsContact C-N 3.32Å; I110-T112 PolarHBondContact O-N 2.91Å; T112-K115 PolarHBondContact O-N 3.4Å; T112-S116 PolarHBondContact O-N 3.37Å; T112-S116 VanDerWaalsContact O-N 3.08Å
113	I	81.4	Confident	75.4	Confident	109 Å²	109	113.6 Å²	113.6	56%	0.559	60%	0.597	S	S	*	*	H	α-helix	trans	-60.6	-48.8	177.3	-68.1	165.8	0	0	0	110.3	R109 I110 K115 S116 T117	R109-I113 WeakPolarHBondContact O-CG1 3.42Å; R109-I113 PolarHBondContact O-N 3.01Å; I110-I113 PolarHBondContact O-N 3.38Å; I113-K115 VanDerWaalsContact C-N 3.34Å; I113-K115 PolarHBondContact O-N 3.45Å; I113-S116 PolarHBondContact O-N 3.44Å; I113-S116 PolarHBondContact O-OG 3.31Å; I113-T117 PolarHBondContact O-N 3.03Å; I113-T117 PolarHBondContact O-OG1 3.37Å
114	T	89.1	Confident	75.9	Confident	78 Å²	78	116.8 Å²	116.8	48%	0.479	60%	0.604	S	S	.	*	H	α-helix	trans	-66.2	-33	-179.6	50.5	0	0	0	0	113.3	I110 I111 T117	I110-T114 HydrophobicContact CG2-CG2 4.42Å; I110-T114 WeakPolarHBondContact O-CG2 3.48Å; I110-T114 PolarHBondContact O-N 2.93Å; I110-T114 PolarHBondContact O-OG1 3.43Å; I111-T114 WeakPolarHBondContact CA-OG1 3.02Å; I111-T114 PolarHBondContact O-OG1 3.46Å; T114-T117 PolarHBondContact O-OG1 3.31Å; T114-T117 VanDerWaalsContact O-OG1 3.06Å
115	K	84.3	Confident	76	Confident	143 Å²	143	118.8 Å²	118.8	62%	0.622	61%	0.614	S	S	*	*	H	α-helix	trans	-67.5	-36.9	172.6	-76.5	174.9	179.4	179.3	0	112.6	I111 T112 I113 T117 S118	I111-K115 HydrophobicContact CG2-CD 4.02Å; I111-K115 WeakPolarHBondContact O-CB 3.13Å; I111-K115 VanDerWaalsContact O-CG 3.28Å; I111-K115 WeakPolarHBondContact O-CG 3.47Å; I111-K115 PolarHBondContact O-N 3.36Å; I111-K115 VanDerWaalsContact O-N 3.08Å; T112-K115 PolarHBondContact O-N 3.4Å; I113-K115 VanDerWaalsContact C-N 3.34Å; I113-K115 PolarHBondContact O-N 3.45Å; K115-T117 PolarHBondContact O-N 3.45Å; K115-S118 PolarHBondContact O-N 3.4Å
116	S	76.5	Confident	76.3	Confident	80 Å²	80	118.8 Å²	118.8	56%	0.559	62%	0.617	S	S	*	*	H	α-helix	trans	-69	-31.1	-179.1	73	0	0	0	0	113.6	T112 I113	T112-S116 PolarHBondContact O-N 3.37Å; T112-S116 VanDerWaalsContact O-N 3.08Å; I113-S116 PolarHBondContact O-N 3.44Å; I113-S116 PolarHBondContact O-OG 3.31Å
117	T	73.9	Confident	76.1	Confident	100 Å²	100	121.3 Å²	121.3	61%	0.613	63%	0.626	S	S	*	*	H	α-helix	trans	-78	-21.4	177.8	47.1	0	0	0	0	113.2	I113 T114 K115	I113-T117 PolarHBondContact O-N 3.03Å; I113-T117 PolarHBondContact O-OG1 3.37Å; T114-T117 PolarHBondContact O-OG1 3.31Å; T114-T117 VanDerWaalsContact O-OG1 3.06Å; K115-T117 PolarHBondContact O-N 3.45Å
118	S	66.6	Low	75.7	Confident	102 Å²	102	124.6 Å²	124.6	71%	0.713	64%	0.637	S	S	*	*	H	α-helix	trans	-81.1	-19.1	-177.4	-150.2	0	0	0	0	114.1	K115	K115-S118 PolarHBondContact O-N 3.4Å
119	Q	63.7	Low	75.3	Confident	181 Å²	181	130.4 Å²	130.4	85%	0.846	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	6	-179.8	-64.9	-156.5	-63.7	0	0	115
120	K	60.7	Low	74.6	Confident	200 Å²	200	127 Å²	127	87%	0.87	66%	0.656	S	S	*	*			trans	-108.3	65.8	175.3	-159.2	176.4	-175.5	179.5	0	111
121	K	53.6	Low	73.9	Confident	266 Å²	266	129.8 Å²	129.8	100%	1.157	67%	0.671	S	S	*	*			trans	-139	0	155.6	-167.8	-173.9	-178.2	-148.7	0	107.6

Retrieved 121 of 121 residues in 22.1 ms (Link to these results)

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