A0A096NVT4_PAPAN Loading...

Cystatin domain-containing protein

AlphaFold DB (A0A096NVT2), UniProt , Accession A0A096NVT4, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 141 aa.

						>A0A096NVT4_PAPAN|A0A096NVT4
MAQPLCTLLLLLAALARAQAWSPEEEDRVIPGGIYDADLNDEWVQRALHFAISEYNKATEDEYYRRPLRVLRAREQVVAGMNYFLDVELGRTTCTKSQPNLDTCAFHEQPELQKKQLCSFEIYEVPWEDRMSLVNSRCQEA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	43.4	Very low	49.8	Very low	238 Å²	238	126 Å²	126	100%	1.172	71%	0.705	S	S	*	*				0	79.1	0	-56.3	-169.5	-68.3	0	0	106.1
2	A	44.7	Very low	49.8	Very low	103 Å²	103	126 Å²	126	85%	0.851	70%	0.701	S	S	*	*				70.5	117.7	98.8	0	0	0	0	0	111.6
3	Q	56	Low	49.9	Very low	152 Å²	152	121.8 Å²	121.8	71%	0.71	69%	0.692	S	S	*	*			trans	-59.7	170.3	-162.2	-55.9	159.7	-35.4	0	0	114	L5	Q3-L5 HydrophobicContact CB-CB 4.15Å; Q3-L5 HydrophobicContact CB-CD1 4.18Å; Q3-L5 HydrophobicContact CG-CD1 3.85Å
4	P	47.7	Very low	50	Low	99 Å²	99	118.5 Å²	118.5	64%	0.643	69%	0.688	S	S	*	*			trans	-121.4	62.1	137.7	37.7	-26.9	0	0	0	109.7	C6 T7	P4-C6 PolarHBondContact O-N 2.99Å; P4-T7 PolarHBondContact O-N 3.06Å; P4-T7 PolarHBondContact O-OG1 3.34Å
5	L	53.7	Low	50	Low	106 Å²	106	120.4 Å²	120.4	56%	0.555	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-12	157.9	-106.2	120.9	0	0	0	111.4	Q3 T7	Q3-L5 HydrophobicContact CB-CB 4.15Å; Q3-L5 HydrophobicContact CB-CD1 4.18Å; Q3-L5 HydrophobicContact CG-CD1 3.85Å; L5-T7 PolarHBondContact O-N 3.11Å
6	C	52	Low	50.1	Low	90 Å²	90	118 Å²	118	61%	0.608	69%	0.692	S	S	*	*	H	α-helix	trans	-65.6	-28.9	175.4	-78.9	0	0	0	0	114.7	P4	P4-C6 PolarHBondContact O-N 2.99Å
7	T	50.9	Low	50.4	Low	92 Å²	92	125.2 Å²	125.2	56%	0.564	71%	0.705	S	S	*	*	H	α-helix	trans	-77.4	-30.9	-175.4	53.7	0	0	0	0	112.4	P4 L5 L9	P4-T7 PolarHBondContact O-N 3.06Å; P4-T7 PolarHBondContact O-OG1 3.34Å; L5-T7 PolarHBondContact O-N 3.11Å; T7-L9 VanDerWaalsContact C-N 3.34Å
8	L	48.4	Very low	50.6	Low	130 Å²	130	122.4 Å²	122.4	68%	0.681	70%	0.7	S	S	*	*	H	α-helix	trans	-72.4	-28.1	175.8	-138.4	85.5	0	0	0	112.4
9	L	51.2	Low	50.7	Low	117 Å²	117	124.7 Å²	124.7	61%	0.613	70%	0.704	S	S	*	*	H	α-helix	trans	-71.4	-27.6	177	-77.1	164.4	0	0	0	113.3	T7	T7-L9 VanDerWaalsContact C-N 3.34Å
10	L	49.4	Very low	50.7	Low	131 Å²	131	123.9 Å²	123.9	69%	0.686	71%	0.713	S	S	*	*	H	α-helix	trans	-76.5	-25.9	-178.7	-70.2	171.5	0	0	0	113.4
11	L	49.8	Very low	50.4	Low	128 Å²	128	127.1 Å²	127.1	67%	0.67	71%	0.714	S	S	*	*	H	α-helix	trans	-78	-26.2	178.1	-75.4	164.8	0	0	0	113	A13	L11-A13 VanDerWaalsContact C-N 3.34Å
12	L	49.8	Very low	50.8	Low	126 Å²	126	120.2 Å²	120.2	66%	0.66	69%	0.69	S	S	*	*	H	α-helix	trans	-74.2	-24.3	175	-74.3	167.7	0	0	0	113	A14	L12-A14 VanDerWaalsContact C-N 3.29Å; L12-A14 PolarHBondContact O-N 3.21Å
13	A	51.8	Low	50.8	Low	71 Å²	71	120.5 Å²	120.5	59%	0.587	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-18.1	178.5	0	0	0	0	0	113.6	L11	L11-A13 VanDerWaalsContact C-N 3.34Å
14	A	51	Low	51	Low	76 Å²	76	121.5 Å²	121.5	63%	0.628	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-18.1	-178.9	0	0	0	0	0	113.8	L12	L12-A14 VanDerWaalsContact C-N 3.29Å; L12-A14 PolarHBondContact O-N 3.21Å
15	L	50.3	Low	51.6	Low	147 Å²	147	125.5 Å²	125.5	77%	0.77	70%	0.697	S	S	*	*	S	Bend	trans	-94.1	-6.1	-178.9	-76.8	161.3	0	0	0	114	R17	L15-R17 VanDerWaalsContact C-N 3.27Å; L15-R17 PolarHBondContact O-N 3.45Å
16	A	50.9	Low	51.7	Low	82 Å²	82	129 Å²	129	68%	0.678	71%	0.711	S	S	*	*			trans	-83.6	4.1	178.6	0	0	0	0	0	114.1	A18	A16-A18 PolarHBondContact O-N 2.01Å
17	R	55.2	Low	52.4	Low	241 Å²	241	130.1 Å²	130.1	91%	0.909	71%	0.711	S	S	*	*			trans	-90.5	45.2	170	-70.3	-173.9	179.4	-177	-0.1	111.3	L15	L15-R17 VanDerWaalsContact C-N 3.27Å; L15-R17 PolarHBondContact O-N 3.45Å
18	A	54	Low	53.4	Low	75 Å²	75	135.8 Å²	135.8	62%	0.62	72%	0.722	S	S	*	*	S	Bend	trans	-97.8	100.3	164.1	0	0	0	0	0	107.6	A16	A16-A18 PolarHBondContact O-N 2.01Å
19	Q	53.8	Low	54.7	Low	165 Å²	165	135.2 Å²	135.2	77%	0.771	72%	0.724	S	S	*	*			trans	55.1	85	152.4	-59.4	166.7	6.2	0	0	115.1	W21	Q19-W21 PolarHBondContact O-N 3.29Å
20	A	49.2	Very low	56.4	Low	108 Å²	108	135 Å²	135	89%	0.893	72%	0.721	S	S	*	*			trans	-67	78.1	142.7	0	0	0	0	0	107.1	S22	A20-S22 PolarHBondContact O-N 3.44Å
21	W	45.1	Very low	58.1	Low	192 Å²	192	134.7 Å²	134.7	73%	0.727	73%	0.728	S	S	*	*			trans	-70.7	91.7	162.3	-170.5	-77.3	0	0	0	105.1	Q19 P23	Q19-W21 PolarHBondContact O-N 3.29Å; W21-P23 WeakPolarHBondContact O-CD 2.97Å
22	S	51.5	Low	60	Low	94 Å²	94	130.6 Å²	130.6	66%	0.657	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-56.3	121.1	160	42.5	0	0	0	0	105.8	A20 E24	A20-S22 PolarHBondContact O-N 3.44Å; S22-E24 PolarHBondContact O-N 2.87Å
23	P	45.4	Very low	62.1	Low	108 Å²	108	125.4 Å²	125.4	70%	0.701	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-54.9	121.3	168.5	-13.9	27	0	0	0	105.8	W21 E25	W21-P23 WeakPolarHBondContact O-CD 2.97Å; P23-E25 PolarHBondContact O-N 3.19Å
24	E	59.8	Low	64.2	Low	173 Å²	173	126 Å²	126	81%	0.808	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-51.8	116.1	157.5	-87.9	167.3	102.6	0	0	104.9	S22 E26	S22-E24 PolarHBondContact O-N 2.87Å; E24-E26 VanDerWaalsContact C-N 3.34Å; E24-E26 PolarHBondContact O-N 3.26Å
25	E	60	Low	66.4	Low	184 Å²	184	124.7 Å²	124.7	86%	0.86	67%	0.665	S	S	*	*			trans	-57.7	104.4	175.6	-164.3	167.4	172.7	0	0	105.2	P23 D27	P23-E25 PolarHBondContact O-N 3.19Å; E25-D27 VanDerWaalsContact C-N 3.3Å; E25-D27 PolarHBondContact O-N 3.14Å
26	E	56.8	Low	68.6	Low	178 Å²	178	122.9 Å²	122.9	83%	0.832	66%	0.656	S	S	*	*			trans	-60.6	99.9	179.5	-172.7	173.6	166	0	0	106.4	E24 R28	E24-E26 VanDerWaalsContact C-N 3.34Å; E24-E26 PolarHBondContact O-N 3.26Å; E26-R28 PolarHBondContact O-N 3.12Å
27	D	65.1	Low	70.8	Confident	114 Å²	114	119.8 Å²	119.8	61%	0.61	63%	0.63	S	S	*	*			trans	-63.8	100.1	-170.6	-166.7	14.4	0	0	0	107.9	E25 V29	E25-D27 VanDerWaalsContact C-N 3.3Å; E25-D27 PolarHBondContact O-N 3.14Å; D27-V29 PolarHBondContact O-N 2.69Å
28	R	72	Confident	72.8	Confident	212 Å²	212	113.2 Å²	113.2	80%	0.8	61%	0.613	S	S	*	*			trans	-69.8	108.1	179.9	-71.6	-175.8	178.2	173.8	0.6	106.7	E26 I30 Y35	E26-R28 PolarHBondContact O-N 3.12Å; R28-I30 PolarHBondContact O-N 3.16Å; R28-Y35 PolarHBondContact O-OH 2.68Å
29	V	77.5	Confident	74.8	Confident	118 Å²	118	112.6 Å²	112.6	72%	0.715	60%	0.599	S	S	*	*			trans	-65	103.7	172.4	-174.8	0	0	0	0	108.9	D27	D27-V29 PolarHBondContact O-N 2.69Å
30	I	86.5	Confident	76.9	Confident	111 Å²	111	111.1 Å²	111.1	57%	0.569	60%	0.596	S	S	*	*			trans	-86	118.3	170.4	-54.4	176.7	0	0	0	106.7	R28 G32 G33 Y35	R28-I30 PolarHBondContact O-N 3.16Å; I30-G32 PolarHBondContact O-N 2.82Å; I30-G33 PolarHBondContact O-N 3.44Å; I30-Y35 WeakPolarHBondContact CA-OH 3.3Å; I30-Y35 VanDerWaalsContact CB-OH 3.3Å; I30-Y35 WeakPolarHBondContact CB-OH 2.91Å; I30-Y35 PolarHBondContact N-OH 3.5Å; I30-Y35 PolarHBondContact O-OH 3.04Å
31	P	83.6	Confident	79.2	Confident	126 Å²	126	108.6 Å²	108.6	82%	0.818	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	129.3	174.6	-26.8	35.2	0	0	0	111.6	G33	P31-G33 PolarHBondContact O-N 2.88Å
32	G	90.1	Very high	81.6	Confident	41 Å²	41	105.5 Å²	105.5	42%	0.423	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	73.5	6	-176.4	0	0	0	0	0	115	I30 Q76	I30-G32 PolarHBondContact O-N 2.82Å; G32-Q76 PolarHBondContact O-NE2 3.31Å
33	G	94.7	Very high	83.8	Confident	17 Å²	17	104.9 Å²	104.9	18%	0.175	55%	0.545	C	S	.	.			trans	-67.3	160.1	170.5	0	0	0	0	0	112.5	I30 P31 Y35 Q76	I30-G33 PolarHBondContact O-N 3.44Å; P31-G33 PolarHBondContact O-N 2.88Å; G33-Y35 VanDerWaalsContact C-CE2 3.44Å; G33-Y35 WeakPolarHBondContact O-CD2 3.33Å; G33-Y35 WeakPolarHBondContact O-CE2 3.45Å; G33-Q76 WeakPolarHBondContact O-CG 3.29Å
34	I	96.6	Very high	86.3	Confident	84 Å²	84	99.9 Å²	99.9	43%	0.431	51%	0.512	S	S	.	.			trans	-99.3	127.5	173.1	-58.8	175.7	0	0	0	107.9	R74 E75 Q76 F84	I34-R74 HydrophobicContact CG2-CB 3.71Å; I34-R74 HydrophobicContact CG2-CG 4.2Å; I34-E75 WeakPolarHBondContact CA-O 3.43Å; I34-Q76 HydrophobicContact CG1-CB 4.08Å; I34-Q76 HydrophobicContact CG1-CG 4.21Å; I34-F84 HydrophobicContact CD1-CE2 4.08Å; I34-F84 HydrophobicContact CD1-CZ 4.09Å; I34-F84 HydrophobicContact CG1-CE2 4.21Å; I34-F84 HydrophobicContact CG2-CD2 4.2Å; I34-F84 HydrophobicContact CG2-CE2 4.25Å
35	Y	95.9	Very high	88.1	Confident	49 Å²	49	94.7 Å²	94.7	19%	0.192	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	149.3	-177.1	-63.8	-80.5	0	0	0	110.8	R28 I30 G33 R74 E75	R28-Y35 PolarHBondContact O-OH 2.68Å; I30-Y35 WeakPolarHBondContact CA-OH 3.3Å; I30-Y35 VanDerWaalsContact CB-OH 3.3Å; I30-Y35 WeakPolarHBondContact CB-OH 2.91Å; I30-Y35 PolarHBondContact N-OH 3.5Å; I30-Y35 PolarHBondContact O-OH 3.04Å; G33-Y35 VanDerWaalsContact C-CE2 3.44Å; G33-Y35 WeakPolarHBondContact O-CD2 3.33Å; G33-Y35 WeakPolarHBondContact O-CE2 3.45Å; Y35-R74 CarbonylContact O-C 3.46Å; Y35-R74 WeakPolarHBondContact O-CA 3.26Å; Y35-R74 WeakPolarHBondContact O-CB 3.22Å; Y35-E75 PolarHBondContact N-O 3.04Å; Y35-E75 PolarHBondContact O-N 2.83Å
36	D	97.3	Very high	89.9	Confident	108 Å²	108	91.1 Å²	91.1	58%	0.578	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	135.2	169.2	-72.6	-40.2	0	0	0	108.9	R72 R74	D36-R72 IonicContact OD1-CZ 2.82Å; D36-R72 VanDerWaalsContact OD1-CZ 3.3Å; D36-R72 IonicContact OD1-NE 3Å; D36-R72 PolarHBondContact OD1-NE 3.22Å; D36-R72 IonicContact OD1-NH2 2.88Å; D36-R72 PolarHBondContact OD1-NH2 2.68Å; D36-R72 IonicContact OD2-NH2 3.3Å; D36-R72 PolarHBondContact OD2-NH2 3.28Å; D36-R74 WeakPolarHBondContact OD1-CG 3.34Å
37	A	96.8	Very high	91.9	Very high	17 Å²	17	82.7 Å²	82.7	14%	0.14	43%	0.427	C	S	.	.			trans	-108.6	149.3	-176.7	0	0	0	0	0	110.6	L39 V44 A73 E75	A37-L39 PolarHBondContact O-N 3.03Å; A37-V44 HydrophobicContact CB-CG2 3.71Å; A37-A73 HydrophobicContact CB-CB 4.2Å; A37-A73 PolarHBondContact N-O 2.96Å; A37-E75 HydrophobicContact CB-CB 4.35Å; A37-E75 HydrophobicContact CB-CG 4.09Å
38	D	97	Very high	93.5	Very high	103 Å²	103	77.8 Å²	77.8	55%	0.551	40%	0.401	S	S	*	.			trans	-65.2	129.1	173.1	-172.8	-8.3	0	0	0	109.4	N40 D41	D38-N40 PolarHBondContact O-N 3.17Å; D38-N40 PolarHBondContact OD1-N 3.21Å; D38-N40 PolarHBondContact OD1-ND2 3.08Å; D38-N40 VanDerWaalsContact OD1-ND2 3.1Å; D38-D41 HydrophobicContact CB-CB 4.34Å; D38-D41 VanDerWaalsContact O-CB 3.3Å; D38-D41 WeakPolarHBondContact O-CB 3.36Å; D38-D41 PolarHBondContact O-N 3.09Å; D38-D41 VanDerWaalsContact O-N 3.13Å
39	L	96.9	Very high	94.7	Very high	63 Å²	63	72.3 Å²	72.3	33%	0.33	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.8	175.6	-60.7	-176	0	0	0	112	A37 Q45 V70 A73	A37-L39 PolarHBondContact O-N 3.03Å; L39-Q45 PolarHBondContact O-NE2 2.93Å; L39-V70 HydrophobicContact CD1-CB 4.4Å; L39-V70 HydrophobicContact CD2-CB 4.1Å; L39-V70 HydrophobicContact CD2-CG1 3.57Å; L39-A73 HydrophobicContact CD2-CB 3.54Å
40	N	96.3	Very high	95.7	Very high	133 Å²	133	69 Å²	69	71%	0.711	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.3	178	-54.1	-70.8	0	0	0	113.3	D38	D38-N40 PolarHBondContact O-N 3.17Å; D38-N40 PolarHBondContact OD1-N 3.21Å; D38-N40 PolarHBondContact OD1-ND2 3.08Å; D38-N40 VanDerWaalsContact OD1-ND2 3.1Å
41	D	97.4	Very high	96.2	Very high	55 Å²	55	63.7 Å²	63.7	29%	0.294	33%	0.333	S	S	.	.			trans	-62.1	136.4	175.1	178.5	-91.2	0	0	0	110.8	D38 W43 V44 Q45	D38-D41 HydrophobicContact CB-CB 4.34Å; D38-D41 VanDerWaalsContact O-CB 3.3Å; D38-D41 WeakPolarHBondContact O-CB 3.36Å; D38-D41 PolarHBondContact O-N 3.09Å; D38-D41 VanDerWaalsContact O-N 3.13Å; D41-W43 VanDerWaalsContact C-N 3.28Å; D41-W43 PolarHBondContact O-N 3.11Å; D41-W43 WeakPolarHBondContact OD1-CA 3.48Å; D41-W43 WeakPolarHBondContact OD1-CB 3.22Å; D41-W43 PolarHBondContact OD1-N 2.92Å; D41-V44 HydrophobicContact CB-CB 4.09Å; D41-V44 HydrophobicContact CB-CG2 3.88Å; D41-V44 PolarHBondContact O-N 2.71Å; D41-V44 PolarHBondContact OD1-N 3.33Å; D41-Q45 WeakPolarHBondContact O-CG 3.32Å; D41-Q45 PolarHBondContact O-N 2.78Å
42	E	97.2	Very high	96.9	Very high	127 Å²	127	57.9 Å²	57.9	59%	0.593	30%	0.295	S	S	*	.	H	α-helix	trans	-65.8	-31.4	-174.2	66.7	179.5	177	0	0	112.8	R46	E42-R46 WeakPolarHBondContact O-CB 3.29Å; E42-R46 PolarHBondContact O-N 3.07Å
43	W	96.3	Very high	97.2	Very high	81 Å²	81	57.7 Å²	57.7	31%	0.307	29%	0.287	S	S	.	.	H	α-helix	trans	-77.8	-39.1	179.1	-55.4	94.6	0	0	0	110.7	D41 Q45 R46 A47 Y83	D41-W43 VanDerWaalsContact C-N 3.28Å; D41-W43 PolarHBondContact O-N 3.11Å; D41-W43 WeakPolarHBondContact OD1-CA 3.48Å; D41-W43 WeakPolarHBondContact OD1-CB 3.22Å; D41-W43 PolarHBondContact OD1-N 2.92Å; W43-Q45 PolarHBondContact O-N 2.84Å; W43-R46 PolarHBondContact O-N 3.18Å; W43-A47 WeakPolarHBondContact O-CB 3.31Å; W43-A47 PolarHBondContact O-N 2.89Å; W43-Y83 HydrophobicContact CB-CE1 4.27Å; W43-Y83 VanDerWaalsContact CB-OH 3.26Å; W43-Y83 WeakPolarHBondContact CB-OH 3.43Å
44	V	98	Very high	97.4	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-59.8	-45.9	170.7	174.1	0	0	0	0	111	A37 D41 A47 L48 A73 Y83 L85	A37-V44 HydrophobicContact CB-CG2 3.71Å; D41-V44 HydrophobicContact CB-CB 4.09Å; D41-V44 HydrophobicContact CB-CG2 3.88Å; D41-V44 PolarHBondContact O-N 2.71Å; D41-V44 PolarHBondContact OD1-N 3.33Å; V44-A47 PolarHBondContact O-N 2.69Å; V44-L48 WeakPolarHBondContact O-CB 3.27Å; V44-L48 PolarHBondContact O-N 2.89Å; V44-A73 HydrophobicContact CG1-CB 3.68Å; V44-Y83 HydrophobicContact CG2-CD1 4.22Å; V44-Y83 HydrophobicContact CG2-CE1 4.19Å; V44-L85 HydrophobicContact CG1-CD2 4.1Å
45	Q	98	Very high	97.4	Very high	65 Å²	65	56.2 Å²	56.2	30%	0.304	27%	0.274	S	S	.	.	H	α-helix	trans	-63.3	-42.4	176.6	-73.1	-64.9	-35.2	0	0	111.7	L39 D41 W43 L48 H49	L39-Q45 PolarHBondContact O-NE2 2.93Å; D41-Q45 WeakPolarHBondContact O-CG 3.32Å; D41-Q45 PolarHBondContact O-N 2.78Å; W43-Q45 PolarHBondContact O-N 2.84Å; Q45-L48 WeakPolarHBondContact O-CB 3.39Å; Q45-L48 PolarHBondContact O-N 2.98Å; Q45-H49 PolarHBondContact O-CD2 3.24Å; Q45-H49 PolarHBondContact O-N 3.1Å
46	R	97.6	Very high	97.5	Very high	109 Å²	109	54.1 Å²	54.1	41%	0.411	27%	0.266	S	S	.	.	H	α-helix	trans	-59.9	-48	174.7	-175.2	-171.6	-61.3	-156.4	2	111.9	E42 W43 L48 H49 F50 M131	E42-R46 WeakPolarHBondContact O-CB 3.29Å; E42-R46 PolarHBondContact O-N 3.07Å; W43-R46 PolarHBondContact O-N 3.18Å; R46-L48 VanDerWaalsContact C-N 3.29Å; R46-L48 PolarHBondContact O-N 2.82Å; R46-H49 PolarHBondContact O-N 2.84Å; R46-F50 WeakPolarHBondContact O-CB 3.02Å; R46-F50 PolarHBondContact O-N 3.45Å; R46-M131 HydrophobicContact CG-CE 4.05Å
47	A	98.4	Very high	97.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-38.8	177.8	0	0	0	0	0	111.7	W43 V44 A51 Y83 L85 I122	W43-A47 WeakPolarHBondContact O-CB 3.31Å; W43-A47 PolarHBondContact O-N 2.89Å; V44-A47 PolarHBondContact O-N 2.69Å; A47-A51 WeakPolarHBondContact O-CB 3.4Å; A47-A51 PolarHBondContact O-N 3.32Å; A47-Y83 HydrophobicContact CB-CD1 4.34Å; A47-Y83 HydrophobicContact CB-CD2 3.7Å; A47-Y83 HydrophobicContact CB-CE2 4.32Å; A47-Y83 HydrophobicContact CB-CG 3.72Å; A47-L85 HydrophobicContact CB-CD1 4.37Å; A47-I122 HydrophobicContact CB-CG2 4.45Å
48	L	98.4	Very high	97.4	Very high	11 Å²	11	59.2 Å²	59.2	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-60.8	-54	173.4	178	65	0	0	0	111.2	V44 Q45 R46 F50 A51 I52 P67 V70 L85 V87	V44-L48 WeakPolarHBondContact O-CB 3.27Å; V44-L48 PolarHBondContact O-N 2.89Å; Q45-L48 WeakPolarHBondContact O-CB 3.39Å; Q45-L48 PolarHBondContact O-N 2.98Å; R46-L48 VanDerWaalsContact C-N 3.29Å; R46-L48 PolarHBondContact O-N 2.82Å; L48-F50 VanDerWaalsContact C-N 3.28Å; L48-F50 PolarHBondContact O-N 2.78Å; L48-A51 PolarHBondContact O-N 2.7Å; L48-A51 VanDerWaalsContact O-N 3.15Å; L48-I52 HydrophobicContact CD1-CD1 4.32Å; L48-I52 HydrophobicContact CD1-CG1 4.07Å; L48-I52 HydrophobicContact CG-CG1 4.43Å; L48-I52 VanDerWaalsContact O-CG1 3.29Å; L48-I52 WeakPolarHBondContact O-CG1 3.44Å; L48-I52 PolarHBondContact O-N 3.42Å; L48-P67 HydrophobicContact CD1-CG 4.25Å; L48-P67 HydrophobicContact CD2-CG 4.37Å; L48-P67 HydrophobicContact CG-CG 4.42Å; L48-V70 HydrophobicContact CD1-CG2 4.23Å; L48-V70 HydrophobicContact CD2-CG2 3.57Å; L48-L85 HydrophobicContact CB-CD1 3.85Å; L48-L85 HydrophobicContact CD1-CD1 4.16Å; L48-V87 HydrophobicContact CD1-CG1 4.21Å; L48-V87 HydrophobicContact CD1-CG2 3.71Å
49	H	97.6	Very high	97.3	Very high	98 Å²	98	56.1 Å²	56.1	45%	0.454	28%	0.28	S	S	.	.	H	α-helix	trans	-56.7	-43.4	179.5	-81.4	-72.8	0	0	0	112.1	Q45 R46 S53	Q45-H49 PolarHBondContact O-CD2 3.24Å; Q45-H49 PolarHBondContact O-N 3.1Å; R46-H49 PolarHBondContact O-N 2.84Å; H49-S53 WeakPolarHBondContact O-CB 3.43Å; H49-S53 PolarHBondContact O-N 3.23Å
50	F	98.4	Very high	97.2	Very high	48 Å²	48	62.7 Å²	62.7	21%	0.211	31%	0.31	C	S	.	.	H	α-helix	trans	-60.3	-50.5	175	174.1	-92.7	0	0	0	111.9	R46 L48 I52 S53 E54 I122 M131 L133	R46-F50 WeakPolarHBondContact O-CB 3.02Å; R46-F50 PolarHBondContact O-N 3.45Å; L48-F50 VanDerWaalsContact C-N 3.28Å; L48-F50 PolarHBondContact O-N 2.78Å; F50-I52 VanDerWaalsContact C-N 3.33Å; F50-I52 PolarHBondContact O-N 2.88Å; F50-S53 WeakPolarHBondContact O-CB 3.34Å; F50-S53 PolarHBondContact O-N 3.48Å; F50-E54 HydrophobicContact CD1-CG 4.33Å; F50-E54 HydrophobicContact CD2-CG 4.38Å; F50-E54 HydrophobicContact CE1-CG 3.85Å; F50-E54 HydrophobicContact CE2-CG 3.91Å; F50-E54 HydrophobicContact CZ-CG 3.61Å; F50-E54 PolarHBondContact O-N 3.25Å; F50-I122 HydrophobicContact CD1-CG2 3.94Å; F50-I122 HydrophobicContact CE1-CG2 4.2Å; F50-M131 HydrophobicContact CB-SD 3.34Å; F50-M131 WeakPolarHBondContact CB-SD 3.45Å; F50-M131 HydrophobicContact CD1-CB 4.4Å; F50-M131 HydrophobicContact CD1-CG 3.65Å; F50-M131 HydrophobicContact CD1-SD 3.46Å; F50-M131 WeakPolarHBondContact CD1-SD 3.19Å; F50-M131 HydrophobicContact CD2-CB 4.11Å; F50-M131 HydrophobicContact CD2-CG 4.16Å; F50-M131 HydrophobicContact CD2-SD 3.92Å; F50-M131 HydrophobicContact CE1-CB 4.31Å; F50-M131 HydrophobicContact CE1-CG 3.79Å; F50-M131 HydrophobicContact CE1-SD 4.23Å; F50-M131 HydrophobicContact CE2-CB 4Å; F50-M131 HydrophobicContact CE2-CG 4.28Å; F50-M131 HydrophobicContact CG-CB 4.31Å; F50-M131 HydrophobicContact CG-CG 3.85Å; F50-M131 HydrophobicContact CG-SD 3.28Å; F50-M131 WeakPolarHBondContact CG-SD 3.38Å; F50-M131 HydrophobicContact CZ-CB 4.11Å; F50-M131 HydrophobicContact CZ-CG 4.11Å; F50-M131 VanDerWaalsContact CZ-O 3.31Å; F50-M131 WeakPolarHBondContact CZ-O 3.45Å; F50-L133 HydrophobicContact CE1-CB 4.02Å
51	A	98.4	Very high	96.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-42.9	-179.5	0	0	0	0	0	112.3	A47 L48 E54 Y55 F120 I122 L133	A47-A51 WeakPolarHBondContact O-CB 3.4Å; A47-A51 PolarHBondContact O-N 3.32Å; L48-A51 PolarHBondContact O-N 2.7Å; L48-A51 VanDerWaalsContact O-N 3.15Å; A51-E54 PolarHBondContact O-N 3.3Å; A51-Y55 WeakPolarHBondContact O-CB 3.29Å; A51-Y55 PolarHBondContact O-N 3.01Å; A51-F120 HydrophobicContact CB-CB 4.08Å; A51-F120 HydrophobicContact CB-CD1 4.4Å; A51-F120 HydrophobicContact CB-CD2 4.11Å; A51-F120 HydrophobicContact CB-CG 3.95Å; A51-I122 HydrophobicContact CB-CD1 3.95Å; A51-I122 HydrophobicContact CB-CG1 3.95Å; A51-L133 HydrophobicContact CB-CD1 4.23Å
52	I	97.9	Very high	96.8	Very high	4 Å²	4	61 Å²	61	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-65.7	-40.5	177.4	-61.1	-54.7	0	0	0	111.6	L48 F50 N56 Y64 R65 P67 L89 F120	L48-I52 HydrophobicContact CD1-CD1 4.32Å; L48-I52 HydrophobicContact CD1-CG1 4.07Å; L48-I52 HydrophobicContact CG-CG1 4.43Å; L48-I52 VanDerWaalsContact O-CG1 3.29Å; L48-I52 WeakPolarHBondContact O-CG1 3.44Å; L48-I52 PolarHBondContact O-N 3.42Å; F50-I52 VanDerWaalsContact C-N 3.33Å; F50-I52 PolarHBondContact O-N 2.88Å; I52-N56 WeakPolarHBondContact CG2-ND2 3.42Å; I52-N56 WeakPolarHBondContact O-CB 3.4Å; I52-N56 PolarHBondContact O-N 3.37Å; I52-N56 PolarHBondContact O-ND2 3.28Å; I52-Y64 HydrophobicContact CG2-CE1 4.41Å; I52-R65 WeakPolarHBondContact CG2-O 3.01Å; I52-P67 HydrophobicContact CD1-CG 3.92Å; I52-P67 HydrophobicContact CG1-CG 3.72Å; I52-L89 HydrophobicContact CD1-CD1 4.22Å; I52-L89 HydrophobicContact CD1-CD2 3.4Å; I52-L89 VanDerWaalsContact CD1-CD2 3.4Å; I52-L89 HydrophobicContact CD1-CG 4.46Å; I52-F120 HydrophobicContact CD1-CE2 3.93Å; I52-F120 HydrophobicContact CD1-CZ 4.36Å
53	S	97	Very high	96.6	Very high	37 Å²	37	58.4 Å²	58.4	26%	0.259	28%	0.282	S	S	.	.	H	α-helix	trans	-59	-52.8	174.1	160.4	0	0	0	0	111.1	H49 F50 Y55 N56 K57	H49-S53 WeakPolarHBondContact O-CB 3.43Å; H49-S53 PolarHBondContact O-N 3.23Å; F50-S53 WeakPolarHBondContact O-CB 3.34Å; F50-S53 PolarHBondContact O-N 3.48Å; S53-Y55 PolarHBondContact O-N 3.47Å; S53-N56 PolarHBondContact O-N 2.95Å; S53-K57 WeakPolarHBondContact O-CG 3.28Å; S53-K57 PolarHBondContact O-N 2.71Å; S53-K57 VanDerWaalsContact OG-CE 3.28Å; S53-K57 WeakPolarHBondContact OG-CE 3.35Å; S53-K57 PolarHBondContact OG-NZ 3.42Å
54	E	98	Very high	96.6	Very high	57 Å²	57	55.5 Å²	55.5	27%	0.266	27%	0.271	S	S	.	.	H	α-helix	trans	-64.6	-41.9	-178.6	-67.4	-47.5	114.3	0	0	112.4	F50 A51 N56 K57 A58 L133	F50-E54 HydrophobicContact CD1-CG 4.33Å; F50-E54 HydrophobicContact CD2-CG 4.38Å; F50-E54 HydrophobicContact CE1-CG 3.85Å; F50-E54 HydrophobicContact CE2-CG 3.91Å; F50-E54 HydrophobicContact CZ-CG 3.61Å; F50-E54 PolarHBondContact O-N 3.25Å; A51-E54 PolarHBondContact O-N 3.3Å; E54-N56 PolarHBondContact O-N 3.32Å; E54-K57 PolarHBondContact O-N 3.43Å; E54-K57 IonicContact OE1-NZ 3.18Å; E54-K57 PolarHBondContact OE1-NZ 3.5Å; E54-A58 WeakPolarHBondContact O-CB 3.47Å; E54-A58 PolarHBondContact O-N 3.18Å; E54-L133 HydrophobicContact CB-CB 4.2Å; E54-L133 HydrophobicContact CB-CD2 3.69Å; E54-L133 HydrophobicContact CG-CB 4.43Å
55	Y	97.4	Very high	96.5	Very high	13 Å²	13	55.8 Å²	55.8	5%	0.051	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-45.2	173.8	168.2	-91.8	0	0	0	112.2	A51 S53 K57 A58 T59 R65 L89 Q116 F120 C138	A51-Y55 WeakPolarHBondContact O-CB 3.29Å; A51-Y55 PolarHBondContact O-N 3.01Å; S53-Y55 PolarHBondContact O-N 3.47Å; Y55-K57 VanDerWaalsContact C-N 3.35Å; Y55-K57 PolarHBondContact O-N 2.98Å; Y55-A58 PolarHBondContact O-N 2.98Å; Y55-T59 HydrophobicContact CD2-CG2 4.13Å; Y55-T59 HydrophobicContact CE1-CG2 4.11Å; Y55-T59 HydrophobicContact CE2-CG2 3.64Å; Y55-T59 WeakPolarHBondContact O-CG2 3.34Å; Y55-T59 PolarHBondContact O-N 2.68Å; Y55-T59 VanDerWaalsContact O-N 3.09Å; Y55-T59 PolarHBondContact O-OG1 2.91Å; Y55-T59 VanDerWaalsContact O-OG1 3.04Å; Y55-R65 HydrophobicContact CE1-CB 4.12Å; Y55-R65 HydrophobicContact CE1-CG 4.5Å; Y55-R65 WeakPolarHBondContact OH-CD 2.89Å; Y55-L89 HydrophobicContact CD1-CD1 3.83Å; Y55-L89 HydrophobicContact CE1-CD1 3.59Å; Y55-L89 HydrophobicContact CG-CD1 4.41Å; Y55-Q116 PolarHBondContact OH-OE1 2.83Å; Y55-F120 AromaticContact CD2-CE1 3.91Å; Y55-F120 HydrophobicContact CD2-CE1 3.91Å; Y55-F120 HydrophobicContact CD2-CZ 4.05Å; Y55-F120 HydrophobicContact CG-CE1 4.1Å; Y55-F120 HydrophobicContact CG-CZ 4.01Å; Y55-C138 HydrophobicContact CE2-CB 4.38Å; Y55-C138 WeakPolarHBondContact CE2-SG 3.5Å
56	N	97.1	Very high	96.4	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.027	27%	0.268	C	S	.	.	H	α-helix	trans	-68.1	-33.7	177.8	-83.4	-79.5	0	0	0	112.1	I52 S53 E54 A58 T59 Y64 R65 K96	I52-N56 WeakPolarHBondContact CG2-ND2 3.42Å; I52-N56 WeakPolarHBondContact O-CB 3.4Å; I52-N56 PolarHBondContact O-N 3.37Å; I52-N56 PolarHBondContact O-ND2 3.28Å; S53-N56 PolarHBondContact O-N 2.95Å; E54-N56 PolarHBondContact O-N 3.32Å; N56-A58 VanDerWaalsContact C-N 3.35Å; N56-T59 PolarHBondContact O-OG1 2.97Å; N56-Y64 HydrophobicContact CB-CD2 3.79Å; N56-Y64 HydrophobicContact CB-CE2 3.58Å; N56-Y64 VanDerWaalsContact CG-CD2 3.43Å; N56-Y64 WeakPolarHBondContact ND2-CE2 3.42Å; N56-Y64 WeakPolarHBondContact OD1-CA 3.47Å; N56-Y64 WeakPolarHBondContact OD1-CD2 3.42Å; N56-R65 PolarHBondContact ND2-O 2.85Å; N56-R65 PolarHBondContact OD1-N 3.5Å; N56-K96 WeakPolarHBondContact O-CD 3.46Å; N56-K96 WeakPolarHBondContact O-CE 3.05Å; N56-K96 PolarHBondContact O-NZ 3.31Å
57	K	96.3	Very high	96.4	Very high	145 Å²	145	52.1 Å²	52.1	63%	0.63	26%	0.26	S	S	*	.	H	α-helix	trans	-66.1	-37.9	173.5	-69.2	170.1	-168.7	169.3	0	112.2	S53 E54 Y55	S53-K57 WeakPolarHBondContact O-CG 3.28Å; S53-K57 PolarHBondContact O-N 2.71Å; S53-K57 VanDerWaalsContact OG-CE 3.28Å; S53-K57 WeakPolarHBondContact OG-CE 3.35Å; S53-K57 PolarHBondContact OG-NZ 3.42Å; E54-K57 PolarHBondContact O-N 3.43Å; E54-K57 IonicContact OE1-NZ 3.18Å; E54-K57 PolarHBondContact OE1-NZ 3.5Å; Y55-K57 VanDerWaalsContact C-N 3.35Å; Y55-K57 PolarHBondContact O-N 2.98Å
58	A	95.8	Very high	96.2	Very high	86 Å²	86	55.5 Å²	55.5	71%	0.711	28%	0.277	S	S	*	.	H	α-helix	trans	-79.5	-24.9	-175.3	0	0	0	0	0	114.2	E54 Y55 N56	E54-A58 WeakPolarHBondContact O-CB 3.47Å; E54-A58 PolarHBondContact O-N 3.18Å; Y55-A58 PolarHBondContact O-N 2.98Å; N56-A58 VanDerWaalsContact C-N 3.35Å
59	T	94.4	Very high	96	Very high	38 Å²	38	61.7 Å²	61.7	23%	0.233	30%	0.3	C	S	.	.	S	Bend	trans	-83.9	147.6	-178.8	50.5	0	0	0	0	112.4	Y55 N56 D61 K96	Y55-T59 HydrophobicContact CD2-CG2 4.13Å; Y55-T59 HydrophobicContact CE1-CG2 4.11Å; Y55-T59 HydrophobicContact CE2-CG2 3.64Å; Y55-T59 WeakPolarHBondContact O-CG2 3.34Å; Y55-T59 PolarHBondContact O-N 2.68Å; Y55-T59 VanDerWaalsContact O-N 3.09Å; Y55-T59 PolarHBondContact O-OG1 2.91Å; Y55-T59 VanDerWaalsContact O-OG1 3.04Å; N56-T59 PolarHBondContact O-OG1 2.97Å; T59-D61 VanDerWaalsContact C-N 3.29Å; T59-D61 PolarHBondContact O-N 2.68Å; T59-K96 PolarHBondContact O-NZ 2.83Å; T59-K96 PolarHBondContact OG1-NZ 2.92Å
60	E	94.1	Very high	96.1	Very high	202 Å²	202	58.4 Å²	58.4	94%	0.944	29%	0.287	S	S	*	.			trans	-81.7	-5.2	176.8	-63	-175.8	166.3	0	0	113.8	E62	E60-E62 PolarHBondContact O-N 3.46Å
61	D	91.8	Very high	96	Very high	24 Å²	24	59.5 Å²	59.5	13%	0.128	30%	0.295	C	S	.	.			trans	-56.6	129.4	177.4	-161.8	-23	0	0	0	110.4	T59 Y63 R65 R91 K96	T59-D61 VanDerWaalsContact C-N 3.29Å; T59-D61 PolarHBondContact O-N 2.68Å; D61-Y63 VanDerWaalsContact C-N 3.25Å; D61-Y63 PolarHBondContact O-N 2.68Å; D61-Y63 PolarHBondContact OD1-N 3.3Å; D61-Y63 VanDerWaalsContact OD1-N 3.07Å; D61-R65 IonicContact OD2-CZ 2.92Å; D61-R65 IonicContact OD2-NE 3.27Å; D61-R65 PolarHBondContact OD2-NE 3.21Å; D61-R65 IonicContact OD2-NH2 3.25Å; D61-R65 PolarHBondContact OD2-NH2 3.38Å; D61-R91 IonicContact OD1-CZ 2.71Å; D61-R91 IonicContact OD1-NE 3.4Å; D61-R91 PolarHBondContact OD1-NE 3.48Å; D61-R91 IonicContact OD1-NH2 2.71Å; D61-R91 PolarHBondContact OD1-NH2 3Å; D61-R91 IonicContact OD2-CZ 2.9Å; D61-R91 VanDerWaalsContact OD2-CZ 3.25Å; D61-R91 IonicContact OD2-NE 2.99Å; D61-R91 PolarHBondContact OD2-NE 3.45Å; D61-R91 IonicContact OD2-NH2 2.78Å; D61-R91 PolarHBondContact OD2-NH2 2.95Å; D61-K96 WeakPolarHBondContact O-CD 3.38Å; D61-K96 WeakPolarHBondContact O-CE 3.04Å; D61-K96 PolarHBondContact O-NZ 2.83Å
62	E	93.4	Very high	96	Very high	127 Å²	127	64.6 Å²	64.6	59%	0.593	31%	0.314	S	S	*	.	S	Bend	trans	-67.5	-32.8	176.7	-175.3	-178.5	177	0	0	111.5	E60 T95 K96	E60-E62 PolarHBondContact O-N 3.46Å; E62-T95 HydrophobicContact CG-CG2 4.08Å; E62-T95 WeakPolarHBondContact O-CA 3.37Å; E62-K96 PolarHBondContact O-N 3.09Å; E62-K96 VanDerWaalsContact O-N 3.09Å
63	Y	94	Very high	96	Very high	73 Å²	73	64.5 Å²	64.5	29%	0.286	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	140	-175.6	-65.6	-86.6	0	0	0	111.1	D61 R91 T92 C94 H107	D61-Y63 VanDerWaalsContact C-N 3.25Å; D61-Y63 PolarHBondContact O-N 2.68Å; D61-Y63 PolarHBondContact OD1-N 3.3Å; D61-Y63 VanDerWaalsContact OD1-N 3.07Å; Y63-R91 HydrophobicContact CG-CG 4.3Å; Y63-T92 WeakPolarHBondContact CD1-O 3.42Å; Y63-C94 CarbonylContact C-O 3.56Å; Y63-C94 VanDerWaalsContact CA-O 3.31Å; Y63-C94 WeakPolarHBondContact CA-O 3.19Å; Y63-H107 AromaticContact CD1-NE2 3.89Å
64	Y	95.9	Very high	96.1	Very high	21 Å²	21	65.9 Å²	65.9	8%	0.082	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	140.3	174.5	-167.7	-99.3	0	0	0	110.2	I52 N56 R66 T92 C94 K96 L101	I52-Y64 HydrophobicContact CG2-CE1 4.41Å; N56-Y64 HydrophobicContact CB-CD2 3.79Å; N56-Y64 HydrophobicContact CB-CE2 3.58Å; N56-Y64 VanDerWaalsContact CG-CD2 3.43Å; N56-Y64 WeakPolarHBondContact ND2-CE2 3.42Å; N56-Y64 WeakPolarHBondContact OD1-CA 3.47Å; N56-Y64 WeakPolarHBondContact OD1-CD2 3.42Å; Y64-R66 HydrophobicContact CD1-CG 3.86Å; Y64-R66 HydrophobicContact CE1-CG 3.8Å; Y64-T92 VanDerWaalsContact O-CB 3.32Å; Y64-T92 WeakPolarHBondContact O-CB 3.46Å; Y64-T92 WeakPolarHBondContact O-CG2 3.44Å; Y64-T92 PolarHBondContact O-N 2.96Å; Y64-T92 PolarHBondContact O-OG1 3.23Å; Y64-C94 PolarHBondContact N-O 3.22Å; Y64-K96 HydrophobicContact CD2-CG 4.27Å; Y64-L101 HydrophobicContact CD1-CB 3.89Å; Y64-L101 HydrophobicContact CD1-CD2 4.41Å; Y64-L101 HydrophobicContact CD2-CB 4.48Å; Y64-L101 HydrophobicContact CD2-CD1 3.7Å; Y64-L101 HydrophobicContact CD2-CD2 4.36Å; Y64-L101 HydrophobicContact CD2-CG 4.4Å; Y64-L101 HydrophobicContact CE1-CB 3.84Å; Y64-L101 HydrophobicContact CE2-CB 4.42Å; Y64-L101 HydrophobicContact CE2-CD1 3.73Å; Y64-L101 HydrophobicContact CG-CB 4.22Å; Y64-L101 HydrophobicContact CG-CD1 4.14Å; Y64-L101 HydrophobicContact CG-CD2 4.02Å; Y64-L101 HydrophobicContact CG-CG 4.35Å
65	R	95.7	Very high	96.1	Very high	9 Å²	9	66 Å²	66	3%	0.034	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.9	175.5	-71.9	169.9	176	-88.3	-5.3	109.8	I52 Y55 N56 D61 G90 R91 K114	I52-R65 WeakPolarHBondContact CG2-O 3.01Å; Y55-R65 HydrophobicContact CE1-CB 4.12Å; Y55-R65 HydrophobicContact CE1-CG 4.5Å; Y55-R65 WeakPolarHBondContact OH-CD 2.89Å; N56-R65 PolarHBondContact ND2-O 2.85Å; N56-R65 PolarHBondContact OD1-N 3.5Å; D61-R65 IonicContact OD2-CZ 2.92Å; D61-R65 IonicContact OD2-NE 3.27Å; D61-R65 PolarHBondContact OD2-NE 3.21Å; D61-R65 IonicContact OD2-NH2 3.25Å; D61-R65 PolarHBondContact OD2-NH2 3.38Å; R65-G90 VanDerWaalsContact CA-O 3.29Å; R65-G90 WeakPolarHBondContact CA-O 3.4Å; R65-R91 HydrophobicContact CG-CB 4.44Å; R65-K114 PolarHBondContact NH1-O 3.35Å
66	R	96.4	Very high	96.1	Very high	58 Å²	58	67.4 Å²	67.4	22%	0.219	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	154.8	177.4	-72.3	172.9	73.2	-149.4	-8.9	110.9	Y64 L68 L89 G90 T92 L101 D102 C104 F106	Y64-R66 HydrophobicContact CD1-CG 3.86Å; Y64-R66 HydrophobicContact CE1-CG 3.8Å; R66-L68 PolarHBondContact O-N 3.29Å; R66-L89 WeakPolarHBondContact O-CA 3.34Å; R66-G90 PolarHBondContact N-O 2.82Å; R66-G90 PolarHBondContact O-N 2.94Å; R66-T92 HydrophobicContact CB-CG2 3.93Å; R66-T92 VanDerWaalsContact CD-CG2 3.46Å; R66-T92 HydrophobicContact CG-CG2 3.55Å; R66-L101 VanDerWaalsContact CD-O 3.22Å; R66-L101 WeakPolarHBondContact CD-O 3.47Å; R66-D102 PolarHBondContact NE-O 2.63Å; R66-D102 VanDerWaalsContact NE-O 3.12Å; R66-D102 PolarHBondContact NH2-O 2.85Å; R66-C104 WeakPolarHBondContact CD-O 3.38Å; R66-C104 PolarHBondContact NH1-O 2.88Å; R66-F106 HydrophobicContact CB-CE1 3.79Å; R66-F106 HydrophobicContact CB-CZ 3.79Å
67	P	96.8	Very high	96	Very high	39 Å²	39	71.6 Å²	71.6	25%	0.253	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	125.4	165.5	-22.6	34.3	0	0	0	111.1	L48 I52 V87 L89	L48-P67 HydrophobicContact CD1-CG 4.25Å; L48-P67 HydrophobicContact CD2-CG 4.37Å; L48-P67 HydrophobicContact CG-CG 4.42Å; I52-P67 HydrophobicContact CD1-CG 3.92Å; I52-P67 HydrophobicContact CG1-CG 3.72Å; P67-V87 HydrophobicContact CB-CG1 3.87Å; P67-V87 HydrophobicContact CG-CG1 4.3Å; P67-L89 HydrophobicContact CG-CD2 4.38Å
68	L	94.8	Very high	95.9	Very high	70 Å²	70	67.5 Å²	67.5	37%	0.366	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-44.3	162.7	-74.8	166.8	0	0	0	109.8	R66 E88 F106 K115	R66-L68 PolarHBondContact O-N 3.29Å; L68-E88 HydrophobicContact CB-CG 4.43Å; L68-E88 HydrophobicContact CD1-CG 4.19Å; L68-E88 PolarHBondContact N-O 3.42Å; L68-F106 HydrophobicContact CD2-CD1 3.92Å; L68-F106 HydrophobicContact CD2-CD2 3.91Å; L68-F106 HydrophobicContact CD2-CE1 3.67Å; L68-F106 HydrophobicContact CD2-CE2 3.67Å; L68-F106 HydrophobicContact CD2-CG 4.03Å; L68-F106 HydrophobicContact CD2-CZ 3.54Å; L68-F106 HydrophobicContact CG-CE1 4.01Å; L68-F106 HydrophobicContact CG-CZ 4.07Å; L68-K115 HydrophobicContact CD1-CD 4.29Å; L68-K115 HydrophobicContact CD1-CG 3.99Å
69	R	95.5	Very high	95.9	Very high	141 Å²	141	67 Å²	67	53%	0.532	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	150.1	173	57.4	175.6	177.2	133.9	9.3	111.1	L71 V87 E88	R69-L71 HydrophobicContact CG-CD2 3.82Å; R69-L71 VanDerWaalsContact NE-CD2 3.34Å; R69-V87 WeakPolarHBondContact O-CG1 3.31Å; R69-E88 HydrophobicContact CG-CB 3.92Å; R69-E88 IonicContact CZ-OE2 2.95Å; R69-E88 VanDerWaalsContact CZ-OE2 3.27Å; R69-E88 PolarHBondContact N-O 3.3Å; R69-E88 IonicContact NE-OE2 3.2Å; R69-E88 PolarHBondContact NE-OE2 2.91Å; R69-E88 IonicContact NH2-OE2 3.48Å; R69-E88 PolarHBondContact NH2-OE2 2.85Å; R69-E88 PolarHBondContact O-N 2.92Å
70	V	97.9	Very high	96	Very high	30 Å²	30	65.3 Å²	65.3	18%	0.182	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	124.4	165.1	-173.3	0	0	0	0	107.4	L39 L48 V87	L39-V70 HydrophobicContact CD1-CB 4.4Å; L39-V70 HydrophobicContact CD2-CB 4.1Å; L39-V70 HydrophobicContact CD2-CG1 3.57Å; L48-V70 HydrophobicContact CD1-CG2 4.23Å; L48-V70 HydrophobicContact CD2-CG2 3.57Å; V70-V87 HydrophobicContact CG2-CG1 4.49Å
71	L	97.8	Very high	96.1	Very high	71 Å²	71	57 Å²	57	37%	0.372	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-39.4	-178.8	-53.9	179	0	0	0	110.9	R69 D86 L117	R69-L71 HydrophobicContact CG-CD2 3.82Å; R69-L71 VanDerWaalsContact NE-CD2 3.34Å; L71-D86 WeakPolarHBondContact CA-O 3.35Å; L71-D86 HydrophobicContact CB-CB 4.22Å; L71-D86 WeakPolarHBondContact CB-O 3.31Å; L71-D86 PolarHBondContact N-O 2.81Å; L71-L117 HydrophobicContact CD1-CD2 3.88Å
72	R	98.2	Very high	96.5	Very high	106 Å²	106	57.6 Å²	57.6	40%	0.4	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	140.6	-178	-166.4	174.1	-172.8	166.2	6	110.3	D36 R74 D86	D36-R72 IonicContact OD1-CZ 2.82Å; D36-R72 VanDerWaalsContact OD1-CZ 3.3Å; D36-R72 IonicContact OD1-NE 3Å; D36-R72 PolarHBondContact OD1-NE 3.22Å; D36-R72 IonicContact OD1-NH2 2.88Å; D36-R72 PolarHBondContact OD1-NH2 2.68Å; D36-R72 IonicContact OD2-NH2 3.3Å; D36-R72 PolarHBondContact OD2-NH2 3.28Å; R72-R74 HydrophobicContact CG-CG 4.4Å; R72-D86 HydrophobicContact CB-CB 4.12Å; R72-D86 PolarHBondContact N-O 3.38Å; R72-D86 PolarHBondContact O-N 3.37Å
73	A	98.6	Very high	96.7	Very high	3 Å²	3	51.9 Å²	51.9	3%	0.025	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.5	164.4	0	0	0	0	0	108.8	A37 L39 V44 F84 L85	A37-A73 HydrophobicContact CB-CB 4.2Å; A37-A73 PolarHBondContact N-O 2.96Å; L39-A73 HydrophobicContact CD2-CB 3.54Å; V44-A73 HydrophobicContact CG1-CB 3.68Å; A73-F84 WeakPolarHBondContact CA-O 3.4Å; A73-L85 HydrophobicContact CB-CD2 3.65Å
74	R	98.4	Very high	96.9	Very high	66 Å²	66	50 Å²	50	25%	0.249	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.8	170.8	-70.8	168	-73.4	173.2	-2.8	109.7	I34 Y35 D36 R72 Y83 F84 D86	I34-R74 HydrophobicContact CG2-CB 3.71Å; I34-R74 HydrophobicContact CG2-CG 4.2Å; Y35-R74 CarbonylContact O-C 3.46Å; Y35-R74 WeakPolarHBondContact O-CA 3.26Å; Y35-R74 WeakPolarHBondContact O-CB 3.22Å; D36-R74 WeakPolarHBondContact OD1-CG 3.34Å; R72-R74 HydrophobicContact CG-CG 4.4Å; R74-Y83 WeakPolarHBondContact O-CA 3.35Å; R74-F84 HydrophobicContact CB-CB 4.2Å; R74-F84 HydrophobicContact CB-CD2 4.22Å; R74-F84 PolarHBondContact N-O 3.13Å; R74-F84 PolarHBondContact O-N 3.15Å; R74-D86 IonicContact NH2-OD2 3.37Å; R74-D86 PolarHBondContact NH2-OD2 3.27Å
75	E	97.5	Very high	97.1	Very high	60 Å²	60	49.1 Å²	49.1	28%	0.28	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	159.7	177.7	66.1	178.7	-159.2	0	0	112.4	I34 Y35 A37 M81 N82 Y83	I34-E75 WeakPolarHBondContact CA-O 3.43Å; Y35-E75 PolarHBondContact N-O 3.04Å; Y35-E75 PolarHBondContact O-N 2.83Å; A37-E75 HydrophobicContact CB-CB 4.35Å; A37-E75 HydrophobicContact CB-CG 4.09Å; E75-M81 HydrophobicContact CB-CE 4.34Å; E75-N82 CarbonylContact C-O 3.56Å; E75-N82 VanDerWaalsContact CA-O 3.25Å; E75-N82 WeakPolarHBondContact CA-O 3.33Å; E75-Y83 HydrophobicContact CB-CD1 4.15Å; E75-Y83 HydrophobicContact CB-CE1 4.19Å
76	Q	97.7	Very high	97.2	Very high	41 Å²	41	50.3 Å²	50.3	19%	0.192	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	125.2	175.9	-179.3	-170.9	38.4	0	0	110.1	G32 G33 I34 V78 N82 F84	G32-Q76 PolarHBondContact O-NE2 3.31Å; G33-Q76 WeakPolarHBondContact O-CG 3.29Å; I34-Q76 HydrophobicContact CG1-CB 4.08Å; I34-Q76 HydrophobicContact CG1-CG 4.21Å; Q76-V78 HydrophobicContact CG-CG1 3.92Å; Q76-N82 HydrophobicContact CB-CB 4.22Å; Q76-N82 PolarHBondContact N-O 2.94Å; Q76-N82 PolarHBondContact O-N 3.04Å; Q76-N82 PolarHBondContact OE1-ND2 3.34Å; Q76-F84 HydrophobicContact CB-CE2 3.98Å
77	V	95.5	Very high	97.3	Very high	94 Å²	94	47.6 Å²	47.6	57%	0.57	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	124.6	172.3	-175.1	0	0	0	0	109.5	M81	V77-M81 HydrophobicContact CB-SD 4.19Å; V77-M81 HydrophobicContact CG1-SD 4.31Å; V77-M81 HydrophobicContact CG2-CE 4.01Å; V77-M81 HydrophobicContact CG2-SD 3.8Å
78	V	94.3	Very high	97.4	Very high	58 Å²	58	46.8 Å²	46.8	35%	0.352	24%	0.237	S	C	.	.	S	Bend	trans	-134.2	-149.2	176.9	-65.4	0	0	0	0	109.4	Q76 G80 Y123	Q76-V78 HydrophobicContact CG-CG1 3.92Å; V78-G80 CarbonylContact C-O 3.58Å; V78-G80 WeakPolarHBondContact CG2-O 3.3Å; V78-G80 PolarHBondContact N-O 2.99Å; V78-G80 PolarHBondContact O-N 2.9Å; V78-Y123 HydrophobicContact CG2-CD2 4.29Å; V78-Y123 HydrophobicContact CG2-CE2 3.72Å
79	A	95.4	Very high	97.5	Very high	76 Å²	76	43.4 Å²	43.4	63%	0.628	22%	0.22	S	C	*	.	S	Bend	trans	-72.3	41.2	164.9	0	0	0	0	0	112.1	Y123	A79-Y123 PolarHBondContact O-OH 2.92Å
80	G	96.1	Very high	97.4	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.021	20%	0.196	C	C	.	.	S	Bend	trans	151.7	-155.6	-162.3	0	0	0	0	0	108.6	V78 E124	V78-G80 CarbonylContact C-O 3.58Å; V78-G80 WeakPolarHBondContact CG2-O 3.3Å; V78-G80 PolarHBondContact N-O 2.99Å; V78-G80 PolarHBondContact O-N 2.9Å; G80-E124 CarbonylContact C-O 3.47Å; G80-E124 VanDerWaalsContact CA-O 3.24Å; G80-E124 WeakPolarHBondContact CA-O 3.44Å
81	M	97.5	Very high	97.3	Very high	29 Å²	29	37.3 Å²	37.3	14%	0.143	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.7	175.8	-66.2	-59.5	-65.8	0	0	109.9	E75 V77 Y83 Y123 E124 P126	E75-M81 HydrophobicContact CB-CE 4.34Å; V77-M81 HydrophobicContact CB-SD 4.19Å; V77-M81 HydrophobicContact CG1-SD 4.31Å; V77-M81 HydrophobicContact CG2-CE 4.01Å; V77-M81 HydrophobicContact CG2-SD 3.8Å; M81-Y83 HydrophobicContact CB-CD2 4.49Å; M81-Y83 HydrophobicContact CB-CE2 3.71Å; M81-Y123 CarbonylContact O-C 3.47Å; M81-Y123 WeakPolarHBondContact O-CA 3.43Å; M81-Y123 WeakPolarHBondContact O-CD2 3.48Å; M81-E124 HydrophobicContact CB-CB 4.48Å; M81-E124 PolarHBondContact N-O 2.93Å; M81-E124 PolarHBondContact O-N 2.79Å; M81-P126 HydrophobicContact CG-CG 4.33Å
82	N	98.4	Very high	97.1	Very high	36 Å²	36	33.9 Å²	33.9	19%	0.193	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.4	164.3	-68	-35.9	0	0	0	109.4	E75 Q76 F84 I122 Y123	E75-N82 CarbonylContact C-O 3.56Å; E75-N82 VanDerWaalsContact CA-O 3.25Å; E75-N82 WeakPolarHBondContact CA-O 3.33Å; Q76-N82 HydrophobicContact CB-CB 4.22Å; Q76-N82 PolarHBondContact N-O 2.94Å; Q76-N82 PolarHBondContact O-N 3.04Å; Q76-N82 PolarHBondContact OE1-ND2 3.34Å; N82-F84 HydrophobicContact CB-CE2 3.75Å; N82-F84 HydrophobicContact CB-CZ 3.8Å; N82-I122 CarbonylContact C-O 3.6Å; N82-I122 VanDerWaalsContact CA-O 3.27Å; N82-I122 WeakPolarHBondContact CA-O 3.46Å; N82-Y123 VanDerWaalsContact OD1-CD2 3.24Å; N82-Y123 WeakPolarHBondContact OD1-CD2 3.25Å
83	Y	98.7	Very high	97	Very high	6 Å²	6	32 Å²	32	2%	0.024	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.6	169.1	-60.4	-83.7	0	0	0	109.9	W43 V44 A47 R74 E75 M81 E121 I122 E124	W43-Y83 HydrophobicContact CB-CE1 4.27Å; W43-Y83 VanDerWaalsContact CB-OH 3.26Å; W43-Y83 WeakPolarHBondContact CB-OH 3.43Å; V44-Y83 HydrophobicContact CG2-CD1 4.22Å; V44-Y83 HydrophobicContact CG2-CE1 4.19Å; A47-Y83 HydrophobicContact CB-CD1 4.34Å; A47-Y83 HydrophobicContact CB-CD2 3.7Å; A47-Y83 HydrophobicContact CB-CE2 4.32Å; A47-Y83 HydrophobicContact CB-CG 3.72Å; R74-Y83 WeakPolarHBondContact O-CA 3.35Å; E75-Y83 HydrophobicContact CB-CD1 4.15Å; E75-Y83 HydrophobicContact CB-CE1 4.19Å; M81-Y83 HydrophobicContact CB-CD2 4.49Å; M81-Y83 HydrophobicContact CB-CE2 3.71Å; Y83-E121 WeakPolarHBondContact O-CA 3.38Å; Y83-I122 PolarHBondContact N-O 3.24Å; Y83-I122 PolarHBondContact O-N 2.92Å; Y83-E124 HydrophobicContact CE2-CB 4.23Å; Y83-E124 WeakPolarHBondContact CE2-OE2 3.42Å
84	F	98.8	Very high	96.8	Very high	35 Å²	35	32.9 Å²	32.9	15%	0.154	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	109.8	177.3	-50	-94.2	0	0	0	108.5	I34 A73 R74 Q76 N82 F120 E121	I34-F84 HydrophobicContact CD1-CE2 4.08Å; I34-F84 HydrophobicContact CD1-CZ 4.09Å; I34-F84 HydrophobicContact CG1-CE2 4.21Å; I34-F84 HydrophobicContact CG2-CD2 4.2Å; I34-F84 HydrophobicContact CG2-CE2 4.25Å; A73-F84 WeakPolarHBondContact CA-O 3.4Å; R74-F84 HydrophobicContact CB-CB 4.2Å; R74-F84 HydrophobicContact CB-CD2 4.22Å; R74-F84 PolarHBondContact N-O 3.13Å; R74-F84 PolarHBondContact O-N 3.15Å; Q76-F84 HydrophobicContact CB-CE2 3.98Å; N82-F84 HydrophobicContact CB-CE2 3.75Å; N82-F84 HydrophobicContact CB-CZ 3.8Å; F84-F120 WeakPolarHBondContact CA-O 3.49Å; F84-E121 HydrophobicContact CD1-CG 3.9Å; F84-E121 HydrophobicContact CE1-CG 4.24Å
85	L	98.9	Very high	96.6	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.3	-172.7	-54.4	-179.2	0	0	0	110.3	V44 A47 L48 A73 V87 S119 F120 I122	V44-L85 HydrophobicContact CG1-CD2 4.1Å; A47-L85 HydrophobicContact CB-CD1 4.37Å; L48-L85 HydrophobicContact CB-CD1 3.85Å; L48-L85 HydrophobicContact CD1-CD1 4.16Å; A73-L85 HydrophobicContact CB-CD2 3.65Å; L85-V87 HydrophobicContact CB-CG2 3.96Å; L85-S119 CarbonylContact O-C 3.6Å; L85-S119 WeakPolarHBondContact O-CA 3.38Å; L85-F120 HydrophobicContact CB-CB 4.43Å; L85-F120 PolarHBondContact N-O 2.7Å; L85-F120 PolarHBondContact O-N 2.82Å; L85-I122 HydrophobicContact CD1-CD1 3.76Å; L85-I122 HydrophobicContact CG-CD1 3.94Å
86	D	98.6	Very high	96.4	Very high	35 Å²	35	31.1 Å²	31.1	19%	0.187	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.2	169.6	-62.8	-46.7	0	0	0	108.1	L71 R72 R74 C118 S119	L71-D86 WeakPolarHBondContact CA-O 3.35Å; L71-D86 HydrophobicContact CB-CB 4.22Å; L71-D86 WeakPolarHBondContact CB-O 3.31Å; L71-D86 PolarHBondContact N-O 2.81Å; R72-D86 HydrophobicContact CB-CB 4.12Å; R72-D86 PolarHBondContact N-O 3.38Å; R72-D86 PolarHBondContact O-N 3.37Å; R74-D86 IonicContact NH2-OD2 3.37Å; R74-D86 PolarHBondContact NH2-OD2 3.27Å; D86-C118 CarbonylContact C-O 3.51Å; D86-C118 WeakPolarHBondContact CA-O 3.16Å; D86-S119 WeakPolarHBondContact OD1-CB 3.48Å; D86-S119 PolarHBondContact OD1-OG 2.77Å
87	V	98.5	Very high	96.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.6	-167.4	-165.9	0	0	0	0	110.4	L48 P67 R69 V70 L85 L89 C118 F120	L48-V87 HydrophobicContact CD1-CG1 4.21Å; L48-V87 HydrophobicContact CD1-CG2 3.71Å; P67-V87 HydrophobicContact CB-CG1 3.87Å; P67-V87 HydrophobicContact CG-CG1 4.3Å; R69-V87 WeakPolarHBondContact O-CG1 3.31Å; V70-V87 HydrophobicContact CG2-CG1 4.49Å; L85-V87 HydrophobicContact CB-CG2 3.96Å; V87-L89 HydrophobicContact CB-CD2 4.25Å; V87-L89 HydrophobicContact CG1-CD2 3.62Å; V87-C118 PolarHBondContact N-O 2.91Å; V87-C118 PolarHBondContact O-N 2.78Å; V87-F120 HydrophobicContact CB-CE2 4.34Å; V87-F120 HydrophobicContact CG2-CD2 4.07Å; V87-F120 HydrophobicContact CG2-CE2 4.26Å
88	E	97.8	Very high	96.1	Very high	21 Å²	21	34.3 Å²	34.3	10%	0.098	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.3	166.8	-172	177.9	170.5	0	0	109.1	L68 R69 Q116 L117	L68-E88 HydrophobicContact CB-CG 4.43Å; L68-E88 HydrophobicContact CD1-CG 4.19Å; L68-E88 PolarHBondContact N-O 3.42Å; R69-E88 HydrophobicContact CG-CB 3.92Å; R69-E88 IonicContact CZ-OE2 2.95Å; R69-E88 VanDerWaalsContact CZ-OE2 3.27Å; R69-E88 PolarHBondContact N-O 3.3Å; R69-E88 IonicContact NE-OE2 3.2Å; R69-E88 PolarHBondContact NE-OE2 2.91Å; R69-E88 IonicContact NH2-OE2 3.48Å; R69-E88 PolarHBondContact NH2-OE2 2.85Å; R69-E88 PolarHBondContact O-N 2.92Å; E88-Q116 CarbonylContact C-O 3.52Å; E88-Q116 WeakPolarHBondContact CA-O 3.28Å; E88-L117 HydrophobicContact CB-CD2 3.99Å; E88-L117 HydrophobicContact CG-CD2 3.99Å
89	L	96.9	Very high	95.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.5	179.5	-56.6	-170.4	0	0	0	111.8	I52 Y55 R66 P67 V87 K115 Q116 C118 F120	I52-L89 HydrophobicContact CD1-CD1 4.22Å; I52-L89 HydrophobicContact CD1-CD2 3.4Å; I52-L89 VanDerWaalsContact CD1-CD2 3.4Å; I52-L89 HydrophobicContact CD1-CG 4.46Å; Y55-L89 HydrophobicContact CD1-CD1 3.83Å; Y55-L89 HydrophobicContact CE1-CD1 3.59Å; Y55-L89 HydrophobicContact CG-CD1 4.41Å; R66-L89 WeakPolarHBondContact O-CA 3.34Å; P67-L89 HydrophobicContact CG-CD2 4.38Å; V87-L89 HydrophobicContact CB-CD2 4.25Å; V87-L89 HydrophobicContact CG1-CD2 3.62Å; L89-K115 WeakPolarHBondContact O-CA 3.36Å; L89-Q116 PolarHBondContact N-O 3.13Å; L89-Q116 PolarHBondContact O-N 3.29Å; L89-C118 HydrophobicContact CD1-CB 4.37Å; L89-C118 VanDerWaalsContact CD1-SG 3.59Å; L89-C118 HydrophobicContact CG-CB 4.46Å; L89-F120 HydrophobicContact CD1-CZ 4.15Å
90	G	94.8	Very high	95.6	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.2	171.7	0	0	0	0	0	111.4	R65 R66	R65-G90 VanDerWaalsContact CA-O 3.29Å; R65-G90 WeakPolarHBondContact CA-O 3.4Å; R66-G90 PolarHBondContact N-O 2.82Å; R66-G90 PolarHBondContact O-N 2.94Å
91	R	94.5	Very high	95.4	Very high	39 Å²	39	40.2 Å²	40.2	15%	0.147	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	132.2	171	-170.8	-173	-97.9	-174.9	-7.1	110.2	D61 Y63 R65 H107	D61-R91 IonicContact OD1-CZ 2.71Å; D61-R91 IonicContact OD1-NE 3.4Å; D61-R91 PolarHBondContact OD1-NE 3.48Å; D61-R91 IonicContact OD1-NH2 2.71Å; D61-R91 PolarHBondContact OD1-NH2 3Å; D61-R91 IonicContact OD2-CZ 2.9Å; D61-R91 VanDerWaalsContact OD2-CZ 3.25Å; D61-R91 IonicContact OD2-NE 2.99Å; D61-R91 PolarHBondContact OD2-NE 3.45Å; D61-R91 IonicContact OD2-NH2 2.78Å; D61-R91 PolarHBondContact OD2-NH2 2.95Å; Y63-R91 HydrophobicContact CG-CG 4.3Å; R65-R91 HydrophobicContact CG-CB 4.44Å; R91-H107 PolarHBondContact O-N 2.87Å
92	T	95.1	Very high	95	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	167.2	176.3	73.5	0	0	0	0	111.9	Y63 Y64 R66 C94 C104 A105 F106 H107	Y63-T92 WeakPolarHBondContact CD1-O 3.42Å; Y64-T92 VanDerWaalsContact O-CB 3.32Å; Y64-T92 WeakPolarHBondContact O-CB 3.46Å; Y64-T92 WeakPolarHBondContact O-CG2 3.44Å; Y64-T92 PolarHBondContact O-N 2.96Å; Y64-T92 PolarHBondContact O-OG1 3.23Å; R66-T92 HydrophobicContact CB-CG2 3.93Å; R66-T92 VanDerWaalsContact CD-CG2 3.46Å; R66-T92 HydrophobicContact CG-CG2 3.55Å; T92-C94 PolarHBondContact O-N 3.19Å; T92-C94 PolarHBondContact OG1-N 3.4Å; T92-C94 PolarHBondContact OG1-O 2.88Å; T92-C104 HydrophobicContact CG2-CB 4.28Å; T92-A105 CarbonylContact C-O 3.47Å; T92-A105 VanDerWaalsContact CA-O 3.27Å; T92-A105 WeakPolarHBondContact CA-O 3.4Å; T92-A105 VanDerWaalsContact CB-O 3.29Å; T92-A105 WeakPolarHBondContact CB-O 3.35Å; T92-F106 HydrophobicContact CG2-CD1 4.17Å; T92-F106 HydrophobicContact CG2-CE1 4.2Å; T92-H107 PolarHBondContact O-CD2 3.29Å; T92-H107 PolarHBondContact O-NE2 3.41Å
93	T	94.2	Very high	94.7	Very high	67 Å²	67	47 Å²	47	41%	0.411	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-8.6	173.5	56	0	0	0	0	113.3	A105	T93-A105 PolarHBondContact N-O 3.33Å; T93-A105 PolarHBondContact OG1-O 3.26Å
94	C	94.9	Very high	94.4	Very high	20 Å²	20	47 Å²	47	14%	0.135	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	144.6	-177.9	-59.9	0	0	0	0	111.7	Y63 Y64 T92 Q98 L101 C104	Y63-C94 CarbonylContact C-O 3.56Å; Y63-C94 VanDerWaalsContact CA-O 3.31Å; Y63-C94 WeakPolarHBondContact CA-O 3.19Å; Y64-C94 PolarHBondContact N-O 3.22Å; T92-C94 PolarHBondContact O-N 3.19Å; T92-C94 PolarHBondContact OG1-N 3.4Å; T92-C94 PolarHBondContact OG1-O 2.88Å; C94-Q98 HydrophobicContact CB-CB 4.48Å; C94-Q98 VanDerWaalsContact CB-OE1 3.23Å; C94-L101 HydrophobicContact CB-CD2 4.13Å; C94-C104 VanDerWaalsContact CA-SG 3.57Å; C94-C104 HydrophobicContact CB-CB 3.78Å; C94-C104 WeakPolarHBondContact CB-SG 3.36Å; C94-C104 PolarHBondContact N-SG 3.05Å; C94-C104 WeakPolarHBondContact SG-CB 3.33Å; C94-C104 CovalentContact SG-SG 2.01Å; C94-C104 PolarHBondContact SG-SG 2.97Å
95	T	94.9	Very high	94.2	Very high	29 Å²	29	48.3 Å²	48.3	18%	0.178	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	158.2	167.2	67.1	0	0	0	0	110.4	E62 S97 Q98 L101	E62-T95 HydrophobicContact CG-CG2 4.08Å; E62-T95 WeakPolarHBondContact O-CA 3.37Å; T95-S97 PolarHBondContact O-N 2.79Å; T95-S97 VanDerWaalsContact O-N 3.08Å; T95-S97 PolarHBondContact OG1-OG 2.04Å; T95-Q98 PolarHBondContact O-N 2.94Å; T95-L101 WeakPolarHBondContact O-CD2 3.33Å
96	K	93.9	Very high	94	Very high	60 Å²	60	51.3 Å²	51.3	26%	0.261	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.3	-179.1	-68.4	174.5	175.1	172.3	0	114.8	N56 T59 D61 E62 Y64	N56-K96 WeakPolarHBondContact O-CD 3.46Å; N56-K96 WeakPolarHBondContact O-CE 3.05Å; N56-K96 PolarHBondContact O-NZ 3.31Å; T59-K96 PolarHBondContact O-NZ 2.83Å; T59-K96 PolarHBondContact OG1-NZ 2.92Å; D61-K96 WeakPolarHBondContact O-CD 3.38Å; D61-K96 WeakPolarHBondContact O-CE 3.04Å; D61-K96 PolarHBondContact O-NZ 2.83Å; E62-K96 PolarHBondContact O-N 3.09Å; E62-K96 VanDerWaalsContact O-N 3.09Å; Y64-K96 HydrophobicContact CD2-CG 4.27Å
97	S	92.5	Very high	93.5	Very high	113 Å²	113	50.9 Å²	50.9	79%	0.79	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-7.8	-179	57.9	0	0	0	0	114.2	T95	T95-S97 PolarHBondContact O-N 2.79Å; T95-S97 VanDerWaalsContact O-N 3.08Å; T95-S97 PolarHBondContact OG1-OG 2.04Å
98	Q	92.9	Very high	92.6	Very high	89 Å²	89	59.3 Å²	59.3	42%	0.416	33%	0.331	S	S	.	.	S	Bend	trans	-78.5	152.2	180	-73.3	177.7	-59.6	0	0	112.1	C94 T95 L101	C94-Q98 HydrophobicContact CB-CB 4.48Å; C94-Q98 VanDerWaalsContact CB-OE1 3.23Å; T95-Q98 PolarHBondContact O-N 2.94Å; Q98-L101 HydrophobicContact CB-CD2 4.42Å; Q98-L101 VanDerWaalsContact O-CD2 3.3Å; Q98-L101 WeakPolarHBondContact O-CD2 3.05Å; Q98-L101 WeakPolarHBondContact O-CG 3.31Å
99	P	91.2	Very high	91.7	Very high	102 Å²	102	64.1 Å²	64.1	66%	0.662	35%	0.354	S	S	*	.	S	Bend	trans	-74.6	168.5	172.7	32.4	-35.4	0	0	0	111.7	L101	P99-L101 VanDerWaalsContact C-N 3.32Å; P99-L101 PolarHBondContact O-N 2.93Å
100	N	89.6	Confident	90.8	Very high	127 Å²	127	68.9 Å²	68.9	68%	0.679	39%	0.385	S	S	*	.			trans	58.4	37	171.4	-54.8	-36.6	0	0	0	114.9	D102 T103	N100-D102 PolarHBondContact O-N 2.92Å; N100-D102 VanDerWaalsContact O-N 3.11Å; N100-T103 PolarHBondContact O-N 2.81Å; N100-T103 PolarHBondContact O-OG1 3.48Å
101	L	91.8	Very high	89.8	Confident	32 Å²	32	76.3 Å²	76.3	17%	0.168	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-55.3	-30.8	-177	-61.8	172.3	0	0	0	113.2	Y64 R66 C94 T95 Q98 P99 T103 C104	Y64-L101 HydrophobicContact CD1-CB 3.89Å; Y64-L101 HydrophobicContact CD1-CD2 4.41Å; Y64-L101 HydrophobicContact CD2-CB 4.48Å; Y64-L101 HydrophobicContact CD2-CD1 3.7Å; Y64-L101 HydrophobicContact CD2-CD2 4.36Å; Y64-L101 HydrophobicContact CD2-CG 4.4Å; Y64-L101 HydrophobicContact CE1-CB 3.84Å; Y64-L101 HydrophobicContact CE2-CB 4.42Å; Y64-L101 HydrophobicContact CE2-CD1 3.73Å; Y64-L101 HydrophobicContact CG-CB 4.22Å; Y64-L101 HydrophobicContact CG-CD1 4.14Å; Y64-L101 HydrophobicContact CG-CD2 4.02Å; Y64-L101 HydrophobicContact CG-CG 4.35Å; R66-L101 VanDerWaalsContact CD-O 3.22Å; R66-L101 WeakPolarHBondContact CD-O 3.47Å; C94-L101 HydrophobicContact CB-CD2 4.13Å; T95-L101 WeakPolarHBondContact O-CD2 3.33Å; Q98-L101 HydrophobicContact CB-CD2 4.42Å; Q98-L101 VanDerWaalsContact O-CD2 3.3Å; Q98-L101 WeakPolarHBondContact O-CD2 3.05Å; Q98-L101 WeakPolarHBondContact O-CG 3.31Å; P99-L101 VanDerWaalsContact C-N 3.32Å; P99-L101 PolarHBondContact O-N 2.93Å; L101-T103 PolarHBondContact O-N 2.94Å; L101-T103 VanDerWaalsContact O-N 3.14Å; L101-C104 WeakPolarHBondContact O-CB 3.4Å; L101-C104 PolarHBondContact O-N 2.82Å
102	D	88.2	Confident	88.9	Confident	94 Å²	94	77.1 Å²	77.1	50%	0.503	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-66	-14	179.6	-57.4	-47.8	0	0	0	114.4	R66 N100	R66-D102 PolarHBondContact NE-O 2.63Å; R66-D102 VanDerWaalsContact NE-O 3.12Å; R66-D102 PolarHBondContact NH2-O 2.85Å; N100-D102 PolarHBondContact O-N 2.92Å; N100-D102 VanDerWaalsContact O-N 3.11Å
103	T	91.4	Very high	87.9	Confident	113 Å²	113	81 Å²	81	69%	0.693	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-113.1	2.2	179.4	59.5	0	0	0	0	113	N100 L101 A105	N100-T103 PolarHBondContact O-N 2.81Å; N100-T103 PolarHBondContact O-OG1 3.48Å; L101-T103 PolarHBondContact O-N 2.94Å; L101-T103 VanDerWaalsContact O-N 3.14Å; T103-A105 PolarHBondContact O-N 3.37Å
104	C	93.7	Very high	87.4	Confident	7 Å²	7	82.6 Å²	82.6	5%	0.047	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-68.2	131	-172.9	-171.1	0	0	0	0	113.4	R66 T92 C94 L101	R66-C104 WeakPolarHBondContact CD-O 3.38Å; R66-C104 PolarHBondContact NH1-O 2.88Å; T92-C104 HydrophobicContact CG2-CB 4.28Å; C94-C104 VanDerWaalsContact CA-SG 3.57Å; C94-C104 HydrophobicContact CB-CB 3.78Å; C94-C104 WeakPolarHBondContact CB-SG 3.36Å; C94-C104 PolarHBondContact N-SG 3.05Å; C94-C104 WeakPolarHBondContact SG-CB 3.33Å; C94-C104 CovalentContact SG-SG 2.01Å; C94-C104 PolarHBondContact SG-SG 2.97Å; L101-C104 WeakPolarHBondContact O-CB 3.4Å; L101-C104 PolarHBondContact O-N 2.82Å
105	A	93.9	Very high	87.3	Confident	62 Å²	62	85.5 Å²	85.5	51%	0.512	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-62.2	146.5	-180	0	0	0	0	0	112.7	T92 T93 T103	T92-A105 CarbonylContact C-O 3.47Å; T92-A105 VanDerWaalsContact CA-O 3.27Å; T92-A105 WeakPolarHBondContact CA-O 3.4Å; T92-A105 VanDerWaalsContact CB-O 3.29Å; T92-A105 WeakPolarHBondContact CB-O 3.35Å; T93-A105 PolarHBondContact N-O 3.33Å; T93-A105 PolarHBondContact OG1-O 3.26Å; T103-A105 PolarHBondContact O-N 3.37Å
106	F	94.1	Very high	87.4	Confident	63 Å²	63	85.8 Å²	85.8	28%	0.276	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-74.1	155.9	170.6	-64.9	-75.4	0	0	0	111	R66 L68 T92 E108	R66-F106 HydrophobicContact CB-CE1 3.79Å; R66-F106 HydrophobicContact CB-CZ 3.79Å; L68-F106 HydrophobicContact CD2-CD1 3.92Å; L68-F106 HydrophobicContact CD2-CD2 3.91Å; L68-F106 HydrophobicContact CD2-CE1 3.67Å; L68-F106 HydrophobicContact CD2-CE2 3.67Å; L68-F106 HydrophobicContact CD2-CG 4.03Å; L68-F106 HydrophobicContact CD2-CZ 3.54Å; L68-F106 HydrophobicContact CG-CE1 4.01Å; L68-F106 HydrophobicContact CG-CZ 4.07Å; T92-F106 HydrophobicContact CG2-CD1 4.17Å; T92-F106 HydrophobicContact CG2-CE1 4.2Å; F106-E108 PolarHBondContact O-N 3.05Å
107	H	87.8	Confident	87.6	Confident	26 Å²	26	85.6 Å²	85.6	12%	0.12	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-65.6	130.9	168	-76.7	-78.8	0	0	0	110.5	Y63 R91 T92 L112 Q113	Y63-H107 AromaticContact CD1-NE2 3.89Å; R91-H107 PolarHBondContact O-N 2.87Å; T92-H107 PolarHBondContact O-CD2 3.29Å; T92-H107 PolarHBondContact O-NE2 3.41Å; H107-L112 HydrophobicContact CB-CB 3.8Å; H107-Q113 WeakPolarHBondContact O-CG 3.24Å
108	E	80.9	Confident	87.8	Confident	178 Å²	178	80.3 Å²	80.3	83%	0.832	42%	0.419	S	S	*	.			trans	-85.7	-22.4	177.4	-63	-176.9	166	0	0	112.6	F106 Q113	F106-E108 PolarHBondContact O-N 3.05Å; E108-Q113 PolarHBondContact O-NE2 2.98Å
109	Q	78.9	Confident	88.1	Confident	123 Å²	123	78.7 Å²	78.7	58%	0.575	42%	0.418	S	S	*	.	S	Bend	trans	-72.3	125.2	-178.3	-64.8	171.5	17.3	0	0	110.5	E111 L112 Q113	Q109-E111 PolarHBondContact O-N 3.22Å; Q109-L112 HydrophobicContact CB-CB 4.31Å; Q109-L112 HydrophobicContact CB-CD1 4.23Å; Q109-L112 HydrophobicContact CB-CG 4.27Å; Q109-L112 CarbonylContact O-C 3.54Å; Q109-L112 PolarHBondContact O-N 2.76Å; Q109-Q113 PolarHBondContact O-N 2.68Å
110	P	76.7	Confident	88.5	Confident	100 Å²	100	73.9 Å²	73.9	65%	0.649	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-53.5	-39.2	-177.5	-28.6	35.4	0	0	0	113.8	L112 Q113	P110-L112 PolarHBondContact O-N 2.79Å; P110-Q113 PolarHBondContact O-N 2.82Å
111	E	74.8	Confident	88.9	Confident	158 Å²	158	71 Å²	71	74%	0.738	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-63.8	-24	179.3	-38.4	-56.9	157.5	0	0	113.3	Q109	Q109-E111 PolarHBondContact O-N 3.22Å
112	L	74.8	Confident	89.3	Confident	56 Å²	56	69.6 Å²	69.6	29%	0.293	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-105.4	-10.8	-177.8	-60.5	-179.1	0	0	0	112.7	H107 Q109 P110 K114	H107-L112 HydrophobicContact CB-CB 3.8Å; Q109-L112 HydrophobicContact CB-CB 4.31Å; Q109-L112 HydrophobicContact CB-CD1 4.23Å; Q109-L112 HydrophobicContact CB-CG 4.27Å; Q109-L112 CarbonylContact O-C 3.54Å; Q109-L112 PolarHBondContact O-N 2.76Å; P110-L112 PolarHBondContact O-N 2.79Å; L112-K114 PolarHBondContact O-N 2.79Å
113	Q	74.8	Confident	89.8	Confident	81 Å²	81	68 Å²	68	38%	0.379	35%	0.349	S	S	.	.			trans	-73.4	59.4	170.8	-74.8	-175.2	44.7	0	0	110.5	H107 E108 Q109 P110 K115	H107-Q113 WeakPolarHBondContact O-CG 3.24Å; E108-Q113 PolarHBondContact O-NE2 2.98Å; Q109-Q113 PolarHBondContact O-N 2.68Å; P110-Q113 PolarHBondContact O-N 2.82Å; Q113-K115 VanDerWaalsContact C-N 3.3Å; Q113-K115 PolarHBondContact O-N 2.91Å
114	K	84.1	Confident	90.1	Very high	102 Å²	102	62.8 Å²	62.8	44%	0.443	32%	0.316	S	S	.	.			trans	-71.6	86.6	174.2	-66.2	-168.1	177	-165.7	0	109.5	R65 L112	R65-K114 PolarHBondContact NH1-O 3.35Å; L112-K114 PolarHBondContact O-N 2.79Å
115	K	93.3	Very high	90.3	Very high	81 Å²	81	62.5 Å²	62.5	35%	0.352	32%	0.315	S	S	.	.			trans	-77.9	145.9	176.9	-65.6	176.5	179.2	-172.7	0	110.7	L68 L89 Q113 A141	L68-K115 HydrophobicContact CD1-CD 4.29Å; L68-K115 HydrophobicContact CD1-CG 3.99Å; L89-K115 WeakPolarHBondContact O-CA 3.36Å; Q113-K115 VanDerWaalsContact C-N 3.3Å; Q113-K115 PolarHBondContact O-N 2.91Å; K115-A141 HydrophobicContact CB-CB 3.75Å; K115-A141 PolarHBondContact O-N 2.84Å; K115-A141 VanDerWaalsContact O-N 3.13Å
116	Q	95.4	Very high	90.3	Very high	35 Å²	35	61.8 Å²	61.8	16%	0.164	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141	176.3	-71	-177.5	-40.6	0	0	110.7	Y55 E88 L89 Q139	Y55-Q116 PolarHBondContact OH-OE1 2.83Å; E88-Q116 CarbonylContact C-O 3.52Å; E88-Q116 WeakPolarHBondContact CA-O 3.28Å; L89-Q116 PolarHBondContact N-O 3.13Å; L89-Q116 PolarHBondContact O-N 3.29Å; Q116-Q139 CarbonylContact C-O 3.58Å; Q116-Q139 WeakPolarHBondContact CA-O 3.46Å; Q116-Q139 WeakPolarHBondContact CB-O 3.47Å
117	L	98	Very high	90.3	Very high	56 Å²	56	67.3 Å²	67.3	29%	0.293	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.2	169.1	-62.5	174.6	0	0	0	107.7	L71 E88 C138 Q139 A141	L71-L117 HydrophobicContact CD1-CD2 3.88Å; E88-L117 HydrophobicContact CB-CD2 3.99Å; E88-L117 HydrophobicContact CG-CD2 3.99Å; L117-C138 CarbonylContact O-C 3.43Å; L117-C138 VanDerWaalsContact O-CA 3.31Å; L117-C138 WeakPolarHBondContact O-CA 3.4Å; L117-Q139 HydrophobicContact CB-CG 4.24Å; L117-Q139 PolarHBondContact N-O 3.36Å; L117-Q139 PolarHBondContact O-N 2.89Å; L117-A141 HydrophobicContact CD1-CB 4.34Å; L117-A141 HydrophobicContact CD2-CB 4.36Å; L117-A141 HydrophobicContact CG-CB 3.8Å
118	C	98.5	Very high	90.8	Very high	2 Å²	2	70.9 Å²	70.9	1%	0.014	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.2	-177.3	-67.3	0	0	0	0	111.3	D86 V87 L89 F120 R137 C138	D86-C118 CarbonylContact C-O 3.51Å; D86-C118 WeakPolarHBondContact CA-O 3.16Å; V87-C118 PolarHBondContact N-O 2.91Å; V87-C118 PolarHBondContact O-N 2.78Å; L89-C118 HydrophobicContact CD1-CB 4.37Å; L89-C118 VanDerWaalsContact CD1-SG 3.59Å; L89-C118 HydrophobicContact CG-CB 4.46Å; C118-F120 HydrophobicContact CB-CD2 4.39Å; C118-F120 HydrophobicContact CB-CE1 4.21Å; C118-F120 HydrophobicContact CB-CE2 3.65Å; C118-F120 HydrophobicContact CB-CZ 3.55Å; C118-R137 CarbonylContact C-O 3.54Å; C118-R137 WeakPolarHBondContact CA-O 3.36Å; C118-C138 HydrophobicContact CB-CB 4.18Å; C118-C138 WeakPolarHBondContact CB-SG 3.27Å; C118-C138 WeakPolarHBondContact SG-CB 3.41Å; C118-C138 CovalentContact SG-SG 2.04Å; C118-C138 PolarHBondContact SG-SG 2.89Å
119	S	98.8	Very high	91.5	Very high	54 Å²	54	68.9 Å²	68.9	38%	0.378	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122	168.1	-62.8	0	0	0	0	108.7	L85 D86 R137	L85-S119 CarbonylContact O-C 3.6Å; L85-S119 WeakPolarHBondContact O-CA 3.38Å; D86-S119 WeakPolarHBondContact OD1-CB 3.48Å; D86-S119 PolarHBondContact OD1-OG 2.77Å; S119-R137 PolarHBondContact N-O 2.9Å; S119-R137 PolarHBondContact O-N 2.96Å
120	F	98.8	Very high	92.3	Very high	1 Å²	1	68.9 Å²	68.9	0%	0.004	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.9	178.9	-58.6	-64.4	0	0	0	110.7	A51 I52 Y55 F84 L85 V87 L89 C118 I122 L133 N135 S136	A51-F120 HydrophobicContact CB-CB 4.08Å; A51-F120 HydrophobicContact CB-CD1 4.4Å; A51-F120 HydrophobicContact CB-CD2 4.11Å; A51-F120 HydrophobicContact CB-CG 3.95Å; I52-F120 HydrophobicContact CD1-CE2 3.93Å; I52-F120 HydrophobicContact CD1-CZ 4.36Å; Y55-F120 AromaticContact CD2-CE1 3.91Å; Y55-F120 HydrophobicContact CD2-CE1 3.91Å; Y55-F120 HydrophobicContact CD2-CZ 4.05Å; Y55-F120 HydrophobicContact CG-CE1 4.1Å; Y55-F120 HydrophobicContact CG-CZ 4.01Å; F84-F120 WeakPolarHBondContact CA-O 3.49Å; L85-F120 HydrophobicContact CB-CB 4.43Å; L85-F120 PolarHBondContact N-O 2.7Å; L85-F120 PolarHBondContact O-N 2.82Å; V87-F120 HydrophobicContact CB-CE2 4.34Å; V87-F120 HydrophobicContact CG2-CD2 4.07Å; V87-F120 HydrophobicContact CG2-CE2 4.26Å; L89-F120 HydrophobicContact CD1-CZ 4.15Å; C118-F120 HydrophobicContact CB-CD2 4.39Å; C118-F120 HydrophobicContact CB-CE1 4.21Å; C118-F120 HydrophobicContact CB-CE2 3.65Å; C118-F120 HydrophobicContact CB-CZ 3.55Å; F120-I122 HydrophobicContact CB-CD1 3.76Å; F120-L133 HydrophobicContact CB-CD1 4.15Å; F120-L133 HydrophobicContact CD1-CD1 4.03Å; F120-L133 HydrophobicContact CG-CD1 4.47Å; F120-N135 WeakPolarHBondContact CA-O 3.49Å; F120-S136 WeakPolarHBondContact CE1-OG 3.47Å
121	E	98.7	Very high	93.4	Very high	68 Å²	68	65.7 Å²	65.7	32%	0.318	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117	169.7	-60.1	168.7	-146.6	0	0	107.6	Y83 F84 V134 N135	Y83-E121 WeakPolarHBondContact O-CA 3.38Å; F84-E121 HydrophobicContact CD1-CG 3.9Å; F84-E121 HydrophobicContact CE1-CG 4.24Å; E121-V134 HydrophobicContact CB-CB 4.32Å; E121-V134 WeakPolarHBondContact O-CB 3.47Å; E121-V134 PolarHBondContact O-N 3.11Å; E121-N135 HydrophobicContact CB-CB 3.72Å; E121-N135 HydrophobicContact CG-CB 3.8Å; E121-N135 PolarHBondContact N-O 3.27Å; E121-N135 PolarHBondContact O-N 3.28Å; E121-N135 PolarHBondContact OE1-ND2 2.88Å; E121-N135 WeakPolarHBondContact OE2-CB 3.24Å
122	I	98.8	Very high	94.5	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.3	-177.6	-54.2	89.7	0	0	0	107.9	A47 F50 A51 N82 Y83 L85 F120 M131 S132 L133	A47-I122 HydrophobicContact CB-CG2 4.45Å; F50-I122 HydrophobicContact CD1-CG2 3.94Å; F50-I122 HydrophobicContact CE1-CG2 4.2Å; A51-I122 HydrophobicContact CB-CD1 3.95Å; A51-I122 HydrophobicContact CB-CG1 3.95Å; N82-I122 CarbonylContact C-O 3.6Å; N82-I122 VanDerWaalsContact CA-O 3.27Å; N82-I122 WeakPolarHBondContact CA-O 3.46Å; Y83-I122 PolarHBondContact N-O 3.24Å; Y83-I122 PolarHBondContact O-N 2.92Å; L85-I122 HydrophobicContact CD1-CD1 3.76Å; L85-I122 HydrophobicContact CG-CD1 3.94Å; F120-I122 HydrophobicContact CB-CD1 3.76Å; I122-M131 HydrophobicContact CG2-CG 3.34Å; I122-M131 HydrophobicContact CG2-SD 3.64Å; I122-S132 WeakPolarHBondContact CA-O 3.22Å; I122-L133 HydrophobicContact CG1-CD1 4.17Å
123	Y	98.6	Very high	95.6	Very high	61 Å²	61	60.1 Å²	60.1	24%	0.239	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.1	170.9	176.5	-120.4	0	0	0	109.7	V78 A79 M81 N82 V125 M131 S132	V78-Y123 HydrophobicContact CG2-CD2 4.29Å; V78-Y123 HydrophobicContact CG2-CE2 3.72Å; A79-Y123 PolarHBondContact O-OH 2.92Å; M81-Y123 CarbonylContact O-C 3.47Å; M81-Y123 WeakPolarHBondContact O-CA 3.43Å; M81-Y123 WeakPolarHBondContact O-CD2 3.48Å; N82-Y123 VanDerWaalsContact OD1-CD2 3.24Å; N82-Y123 WeakPolarHBondContact OD1-CD2 3.25Å; Y123-V125 HydrophobicContact CD1-CG2 4.35Å; Y123-V125 HydrophobicContact CE1-CG2 3.52Å; Y123-V125 HydrophobicContact CE2-CG2 4.42Å; Y123-M131 CarbonylContact O-C 3.53Å; Y123-M131 WeakPolarHBondContact O-CA 3.2Å; Y123-S132 PolarHBondContact N-O 3.26Å; Y123-S132 PolarHBondContact O-N 2.8Å
124	E	98.3	Very high	96.7	Very high	3 Å²	3	60.5 Å²	60.5	1%	0.014	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	141.5	177.4	-172.5	177.9	-155.4	0	0	110.7	G80 M81 Y83 P126 R130 M131	G80-E124 CarbonylContact C-O 3.47Å; G80-E124 VanDerWaalsContact CA-O 3.24Å; G80-E124 WeakPolarHBondContact CA-O 3.44Å; M81-E124 HydrophobicContact CB-CB 4.48Å; M81-E124 PolarHBondContact N-O 2.93Å; M81-E124 PolarHBondContact O-N 2.79Å; Y83-E124 HydrophobicContact CE2-CB 4.23Å; Y83-E124 WeakPolarHBondContact CE2-OE2 3.42Å; E124-P126 HydrophobicContact CG-CG 4.07Å; E124-R130 CarbonylContact C-O 3.55Å; E124-R130 WeakPolarHBondContact CA-O 3.49Å; E124-M131 HydrophobicContact CB-CE 4.07Å; E124-M131 HydrophobicContact CB-CG 4.27Å; E124-M131 HydrophobicContact CG-CE 3.79Å; E124-M131 VanDerWaalsContact OE1-CE 3.31Å; E124-M131 WeakPolarHBondContact OE1-CE 3.41Å
125	V	98	Very high	97.4	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	89.6	167.4	-175.2	0	0	0	0	106.9	Y123 W127 E128 D129 R130	Y123-V125 HydrophobicContact CD1-CG2 4.35Å; Y123-V125 HydrophobicContact CE1-CG2 3.52Å; Y123-V125 HydrophobicContact CE2-CG2 4.42Å; V125-W127 VanDerWaalsContact C-N 3.3Å; V125-W127 HydrophobicContact CG1-CD2 3.93Å; V125-W127 HydrophobicContact CG1-CG 4.3Å; V125-W127 HydrophobicContact CG1-CH2 4.35Å; V125-W127 HydrophobicContact CG1-CZ2 3.58Å; V125-W127 VanDerWaalsContact CG1-NE1 3.32Å; V125-W127 PolarHBondContact O-N 2.89Å; V125-E128 HydrophobicContact CB-CB 4.27Å; V125-E128 HydrophobicContact CG1-CB 3.87Å; V125-E128 HydrophobicContact CG1-CG 3.96Å; V125-E128 PolarHBondContact O-N 3.02Å; V125-D129 PolarHBondContact O-N 3Å; V125-R130 PolarHBondContact N-O 3Å; V125-R130 PolarHBondContact O-N 2.86Å
126	P	93.9	Very high	97.6	Very high	47 Å²	47	56 Å²	56	31%	0.305	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-59.5	-36.9	-166.9	-27.8	35.1	0	0	0	114	M81 E124 E128 D129	M81-P126 HydrophobicContact CG-CG 4.33Å; E124-P126 HydrophobicContact CG-CG 4.07Å; P126-E128 PolarHBondContact O-N 2.96Å; P126-D129 PolarHBondContact O-N 2.97Å
127	W	95.1	Very high	97.8	Very high	178 Å²	178	62.2 Å²	62.2	67%	0.674	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-74.9	-9.1	179.3	57.1	85.5	0	0	0	114.2	V125	V125-W127 VanDerWaalsContact C-N 3.3Å; V125-W127 HydrophobicContact CG1-CD2 3.93Å; V125-W127 HydrophobicContact CG1-CG 4.3Å; V125-W127 HydrophobicContact CG1-CH2 4.35Å; V125-W127 HydrophobicContact CG1-CZ2 3.58Å; V125-W127 VanDerWaalsContact CG1-NE1 3.32Å; V125-W127 PolarHBondContact O-N 2.89Å
128	E	97.6	Very high	97.7	Very high	101 Å²	101	62 Å²	62	47%	0.472	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-109.1	1.8	173.3	-72.8	173.7	-138.4	0	0	112.2	V125 P126 R130	V125-E128 HydrophobicContact CB-CB 4.27Å; V125-E128 HydrophobicContact CG1-CB 3.87Å; V125-E128 HydrophobicContact CG1-CG 3.96Å; V125-E128 PolarHBondContact O-N 3.02Å; P126-E128 PolarHBondContact O-N 2.96Å; E128-R130 HydrophobicContact CB-CB 4.3Å; E128-R130 PolarHBondContact O-N 2.83Å; E128-R130 IonicContact OE1-NH2 3.91Å; E128-R130 IonicContact OE2-CZ 2.7Å; E128-R130 IonicContact OE2-NH1 2.68Å; E128-R130 PolarHBondContact OE2-NH1 2.8Å; E128-R130 IonicContact OE2-NH2 2.76Å; E128-R130 PolarHBondContact OE2-NH2 2.88Å
129	D	95.1	Very high	97.6	Very high	136 Å²	136	68.1 Å²	68.1	73%	0.727	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	40.8	-173.4	-164.5	35.1	0	0	0	112.4	V125 P126	V125-D129 PolarHBondContact O-N 3Å; P126-D129 PolarHBondContact O-N 2.97Å
130	R	97.4	Very high	97.3	Very high	123 Å²	123	73 Å²	73	46%	0.464	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.7	-176.2	-177.2	175.3	64.7	-132.1	-10.8	110.3	E124 V125 E128	E124-R130 CarbonylContact C-O 3.55Å; E124-R130 WeakPolarHBondContact CA-O 3.49Å; V125-R130 PolarHBondContact N-O 3Å; V125-R130 PolarHBondContact O-N 2.86Å; E128-R130 HydrophobicContact CB-CB 4.3Å; E128-R130 PolarHBondContact O-N 2.83Å; E128-R130 IonicContact OE1-NH2 3.91Å; E128-R130 IonicContact OE2-CZ 2.7Å; E128-R130 IonicContact OE2-NH1 2.68Å; E128-R130 PolarHBondContact OE2-NH1 2.8Å; E128-R130 IonicContact OE2-NH2 2.76Å; E128-R130 PolarHBondContact OE2-NH2 2.88Å
131	M	98.1	Very high	96.6	Very high	34 Å²	34	77.7 Å²	77.7	17%	0.167	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.5	173.5	-163	176.6	-73.5	0	0	110.2	R46 F50 I122 Y123 E124	R46-M131 HydrophobicContact CG-CE 4.05Å; F50-M131 HydrophobicContact CB-SD 3.34Å; F50-M131 WeakPolarHBondContact CB-SD 3.45Å; F50-M131 HydrophobicContact CD1-CB 4.4Å; F50-M131 HydrophobicContact CD1-CG 3.65Å; F50-M131 HydrophobicContact CD1-SD 3.46Å; F50-M131 WeakPolarHBondContact CD1-SD 3.19Å; F50-M131 HydrophobicContact CD2-CB 4.11Å; F50-M131 HydrophobicContact CD2-CG 4.16Å; F50-M131 HydrophobicContact CD2-SD 3.92Å; F50-M131 HydrophobicContact CE1-CB 4.31Å; F50-M131 HydrophobicContact CE1-CG 3.79Å; F50-M131 HydrophobicContact CE1-SD 4.23Å; F50-M131 HydrophobicContact CE2-CB 4Å; F50-M131 HydrophobicContact CE2-CG 4.28Å; F50-M131 HydrophobicContact CG-CB 4.31Å; F50-M131 HydrophobicContact CG-CG 3.85Å; F50-M131 HydrophobicContact CG-SD 3.28Å; F50-M131 WeakPolarHBondContact CG-SD 3.38Å; F50-M131 HydrophobicContact CZ-CB 4.11Å; F50-M131 HydrophobicContact CZ-CG 4.11Å; F50-M131 VanDerWaalsContact CZ-O 3.31Å; F50-M131 WeakPolarHBondContact CZ-O 3.45Å; I122-M131 HydrophobicContact CG2-CG 3.34Å; I122-M131 HydrophobicContact CG2-SD 3.64Å; Y123-M131 CarbonylContact O-C 3.53Å; Y123-M131 WeakPolarHBondContact O-CA 3.2Å; E124-M131 HydrophobicContact CB-CE 4.07Å; E124-M131 HydrophobicContact CB-CG 4.27Å; E124-M131 HydrophobicContact CG-CE 3.79Å; E124-M131 VanDerWaalsContact OE1-CE 3.31Å; E124-M131 WeakPolarHBondContact OE1-CE 3.41Å
132	S	98.3	Very high	96.5	Very high	47 Å²	47	78.2 Å²	78.2	33%	0.329	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	138.5	177.7	62.7	0	0	0	0	111.8	I122 Y123 V134	I122-S132 WeakPolarHBondContact CA-O 3.22Å; Y123-S132 PolarHBondContact N-O 3.26Å; Y123-S132 PolarHBondContact O-N 2.8Å; S132-V134 PolarHBondContact O-N 2.79Å
133	L	98.5	Very high	96.3	Very high	49 Å²	49	82.3 Å²	82.3	26%	0.257	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	101.9	172.3	-176.7	63.2	0	0	0	107.7	F50 A51 E54 F120 I122 N135	F50-L133 HydrophobicContact CE1-CB 4.02Å; A51-L133 HydrophobicContact CB-CD1 4.23Å; E54-L133 HydrophobicContact CB-CB 4.2Å; E54-L133 HydrophobicContact CB-CD2 3.69Å; E54-L133 HydrophobicContact CG-CB 4.43Å; F120-L133 HydrophobicContact CB-CD1 4.15Å; F120-L133 HydrophobicContact CD1-CD1 4.03Å; F120-L133 HydrophobicContact CG-CD1 4.47Å; I122-L133 HydrophobicContact CG1-CD1 4.17Å; L133-N135 WeakPolarHBondContact CD1-O 3.48Å
134	V	98.3	Very high	96.2	Very high	90 Å²	90	83.4 Å²	83.4	55%	0.545	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-41.6	-174.9	179.2	0	0	0	0	110.7	E121 S132	E121-V134 HydrophobicContact CB-CB 4.32Å; E121-V134 WeakPolarHBondContact O-CB 3.47Å; E121-V134 PolarHBondContact O-N 3.11Å; S132-V134 PolarHBondContact O-N 2.79Å
135	N	98.3	Very high	96.1	Very high	37 Å²	37	88.2 Å²	88.2	20%	0.198	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	145.4	-178.6	-160	-10.4	0	0	0	109.8	F120 E121 L133 R137	F120-N135 WeakPolarHBondContact CA-O 3.49Å; E121-N135 HydrophobicContact CB-CB 3.72Å; E121-N135 HydrophobicContact CG-CB 3.8Å; E121-N135 PolarHBondContact N-O 3.27Å; E121-N135 PolarHBondContact O-N 3.28Å; E121-N135 PolarHBondContact OE1-ND2 2.88Å; E121-N135 WeakPolarHBondContact OE2-CB 3.24Å; L133-N135 WeakPolarHBondContact CD1-O 3.48Å; N135-R137 PolarHBondContact ND2-NE 2.72Å; N135-R137 PolarHBondContact ND2-NH2 3.47Å; N135-R137 VanDerWaalsContact ND2-NH2 3.11Å; N135-R137 WeakPolarHBondContact OD1-CG 3.3Å; N135-R137 PolarHBondContact OD1-NE 3.17Å
136	S	98	Very high	96	Very high	50 Å²	50	93.6 Å²	93.6	35%	0.35	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	113.8	176.5	166.1	0	0	0	0	108.5	F120	F120-S136 WeakPolarHBondContact CE1-OG 3.47Å
137	R	98	Very high	96.1	Very high	166 Å²	166	96.7 Å²	96.7	63%	0.626	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.8	178.4	-58.2	-176.9	-169.8	-168.9	4.8	108.6	C118 S119 N135	C118-R137 CarbonylContact C-O 3.54Å; C118-R137 WeakPolarHBondContact CA-O 3.36Å; S119-R137 PolarHBondContact N-O 2.9Å; S119-R137 PolarHBondContact O-N 2.96Å; N135-R137 PolarHBondContact ND2-NE 2.72Å; N135-R137 PolarHBondContact ND2-NH2 3.47Å; N135-R137 VanDerWaalsContact ND2-NH2 3.11Å; N135-R137 WeakPolarHBondContact OD1-CG 3.3Å; N135-R137 PolarHBondContact OD1-NE 3.17Å
138	C	97.4	Very high	96.2	Very high	51 Å²	51	90.9 Å²	90.9	35%	0.345	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.1	179.7	-64.5	0	0	0	0	110.5	Y55 L117 C118	Y55-C138 HydrophobicContact CE2-CB 4.38Å; Y55-C138 WeakPolarHBondContact CE2-SG 3.5Å; L117-C138 CarbonylContact O-C 3.43Å; L117-C138 VanDerWaalsContact O-CA 3.31Å; L117-C138 WeakPolarHBondContact O-CA 3.4Å; C118-C138 HydrophobicContact CB-CB 4.18Å; C118-C138 WeakPolarHBondContact CB-SG 3.27Å; C118-C138 WeakPolarHBondContact SG-CB 3.41Å; C118-C138 CovalentContact SG-SG 2.04Å; C118-C138 PolarHBondContact SG-SG 2.89Å
139	Q	95.9	Very high	96.1	Very high	131 Å²	131	90.1 Å²	90.1	61%	0.612	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	156	172.9	62.5	-174	37.9	0	0	109.9	Q116 L117	Q116-Q139 CarbonylContact C-O 3.58Å; Q116-Q139 WeakPolarHBondContact CA-O 3.46Å; Q116-Q139 WeakPolarHBondContact CB-O 3.47Å; L117-Q139 HydrophobicContact CB-CG 4.24Å; L117-Q139 PolarHBondContact N-O 3.36Å; L117-Q139 PolarHBondContact O-N 2.89Å
140	E	92.5	Very high	96.2	Very high	157 Å²	157	86.3 Å²	86.3	73%	0.734	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	141.1	172.1	-61.4	-174.1	165.2	0	0	109.9
141	A	83.4	Confident	96.1	Very high	100 Å²	100	82.9 Å²	82.9	83%	0.826	45%	0.454	S	S	*	.			trans	-92.5	0	-176.2	0	0	0	0	0	112.4	K115 L117	K115-A141 HydrophobicContact CB-CB 3.75Å; K115-A141 PolarHBondContact O-N 2.84Å; K115-A141 VanDerWaalsContact O-N 3.13Å; L117-A141 HydrophobicContact CD1-CB 4.34Å; L117-A141 HydrophobicContact CD2-CB 4.36Å; L117-A141 HydrophobicContact CG-CB 3.8Å

Retrieved 141 of 141 residues in 442.6 ms (Link to these results)

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