A0A096LP52_HUMAN Loading...

Syntaxin binding protein 1

AlphaFold DB , UniProt , Accession A0A096LP52, Species HUMAN (Homo sapiens, Human), Gene STXBP1, Length 119 aa.

						>A0A096LP52_HUMAN|A0A096LP52|STXBP1
IMEDTIEDKLDTKHYPYISTRSSASFSTTAVSARYGHWHKNKAPGEYRSGPRLIIFILGGVSLNEMRCAYEVTQANGKWEVLIGSTHILTPTKFLMDLRHPDFRESSRVSFEDQAPTME
					

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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	I	94	Very high	93.7	Very high	86 Å²	86	77.5 Å²	77.5	44%	0.441	39%	0.386	S	S	.	.				0	-67.7	0	-51.9	-54.6	0	0	0	112.9	D4 T5 L10 Y15	I1-D4 PolarHBondContact N-OD2 3.4Å; I1-T5 WeakPolarHBondContact O-CB 3.48Å; I1-T5 PolarHBondContact O-N 3.18Å; I1-T5 PolarHBondContact O-OG1 3.11Å; I1-L10 HydrophobicContact CD1-CD1 3.58Å; I1-Y15 HydrophobicContact CD1-CD2 4.39Å; I1-Y15 HydrophobicContact CD1-CE1 4.21Å; I1-Y15 HydrophobicContact CD1-CE2 3.5Å; I1-Y15 VanDerWaalsContact CD1-CE2 3.5Å; I1-Y15 VanDerWaalsContact CD1-OH 3.24Å; I1-Y15 WeakPolarHBondContact CD1-OH 3.29Å
2	M	95.5	Very high	93.6	Very high	29 Å²	29	77.4 Å²	77.4	14%	0.143	39%	0.393	C	S	.	.	H	α-helix	trans	-58.1	-53.5	-177.6	-68.1	174.8	-172.2	0	0	111.5	T5 I6 L53 I55 C68 A69 V72 V81 I83	M2-T5 PolarHBondContact O-N 2.71Å; M2-I6 VanDerWaalsContact O-CG1 3.31Å; M2-I6 WeakPolarHBondContact O-CG1 3.36Å; M2-I6 PolarHBondContact O-N 2.69Å; M2-L53 HydrophobicContact CB-CD2 4.46Å; M2-I55 HydrophobicContact CE-CD1 3.79Å; M2-I55 HydrophobicContact CG-CD1 3.46Å; M2-I55 VanDerWaalsContact CG-CD1 3.46Å; M2-I55 HydrophobicContact SD-CD1 4.32Å; M2-C68 HydrophobicContact SD-CB 4.27Å; M2-A69 HydrophobicContact CE-CB 3.99Å; M2-A69 HydrophobicContact SD-CB 4.18Å; M2-V72 HydrophobicContact CB-CG1 4.22Å; M2-V72 HydrophobicContact CB-CG2 4.14Å; M2-V72 HydrophobicContact SD-CG2 4.35Å; M2-V81 HydrophobicContact CG-CG1 4.34Å; M2-V81 HydrophobicContact SD-CG1 4.18Å; M2-I83 HydrophobicContact CE-CD1 3.81Å
3	E	95.2	Very high	93.6	Very high	121 Å²	121	85.5 Å²	85.5	57%	0.565	42%	0.424	S	S	*	.	H	α-helix	trans	-62.5	-51.4	178.3	-64.2	174.3	161.1	0	0	111.4	T5 I6 E7 V72	E3-T5 PolarHBondContact O-N 3.16Å; E3-I6 WeakPolarHBondContact O-CB 3.45Å; E3-I6 PolarHBondContact O-N 3.38Å; E3-E7 WeakPolarHBondContact O-CG 3.46Å; E3-E7 PolarHBondContact O-N 2.71Å; E3-V72 HydrophobicContact CG-CG1 4.41Å; E3-V72 HydrophobicContact CG-CG2 3.92Å
4	D	95.4	Very high	93.6	Very high	63 Å²	63	89.7 Å²	89.7	34%	0.337	44%	0.442	S	S	.	.	H	α-helix	trans	-57.1	-36.2	179.3	-48.6	-48.6	0	0	0	113	I1 D8 K9 L10	I1-D4 PolarHBondContact N-OD2 3.4Å; D4-D8 PolarHBondContact O-N 3.3Å; D4-D8 VanDerWaalsContact O-N 3.11Å; D4-K9 PolarHBondContact O-N 2.95Å; D4-L10 HydrophobicContact CB-CB 4.05Å; D4-L10 HydrophobicContact CB-CD1 4.06Å; D4-L10 PolarHBondContact O-N 3.18Å; D4-L10 VanDerWaalsContact O-N 3.16Å
5	T	93.4	Very high	93.6	Very high	38 Å²	38	91.8 Å²	91.8	23%	0.233	44%	0.444	C	S	.	.	H	α-helix	trans	-68.5	-41.7	177.3	-53.6	0	0	0	0	111	I1 M2 E3 E7 D8 L53	I1-T5 WeakPolarHBondContact O-CB 3.48Å; I1-T5 PolarHBondContact O-N 3.18Å; I1-T5 PolarHBondContact O-OG1 3.11Å; M2-T5 PolarHBondContact O-N 2.71Å; E3-T5 PolarHBondContact O-N 3.16Å; T5-E7 VanDerWaalsContact C-N 3.33Å; T5-D8 PolarHBondContact O-N 2.8Å; T5-L53 HydrophobicContact CG2-CD1 3.71Å; T5-L53 HydrophobicContact CG2-CD2 4.19Å
6	I	91.6	Very high	93.6	Very high	17 Å²	17	92 Å²	92	9%	0.087	46%	0.455	C	S	.	.	H	α-helix	trans	-69.7	-33.4	-179.4	-73	170.2	0	0	0	111.5	M2 E3 D8 L53 V72 N76 W79 V81	M2-I6 VanDerWaalsContact O-CG1 3.31Å; M2-I6 WeakPolarHBondContact O-CG1 3.36Å; M2-I6 PolarHBondContact O-N 2.69Å; E3-I6 WeakPolarHBondContact O-CB 3.45Å; E3-I6 PolarHBondContact O-N 3.38Å; I6-D8 VanDerWaalsContact C-N 3.33Å; I6-L53 HydrophobicContact CD1-CD2 4.42Å; I6-L53 HydrophobicContact CG1-CD2 4.22Å; I6-V72 HydrophobicContact CD1-CG1 3.39Å; I6-N76 HydrophobicContact CG2-CB 4.34Å; I6-N76 WeakPolarHBondContact CG2-ND2 3.06Å; I6-W79 HydrophobicContact CB-CD2 4.45Å; I6-W79 HydrophobicContact CB-CG 4.5Å; I6-W79 HydrophobicContact CD1-CB 4.08Å; I6-W79 HydrophobicContact CD1-CG 4.33Å; I6-W79 HydrophobicContact CG1-CB 4.26Å; I6-W79 HydrophobicContact CG1-CD2 3.85Å; I6-W79 HydrophobicContact CG1-CE3 4.02Å; I6-W79 HydrophobicContact CG1-CG 3.98Å; I6-W79 HydrophobicContact CG2-CB 4.5Å; I6-W79 HydrophobicContact CG2-CD2 4.26Å; I6-W79 HydrophobicContact CG2-CG 3.91Å; I6-V81 HydrophobicContact CD1-CG2 3.84Å
7	E	91.8	Very high	93.4	Very high	104 Å²	104	95.1 Å²	95.1	49%	0.486	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.7	176	-65.8	-171.2	-179.7	0	0	114.1	E3 T5 K9	E3-E7 WeakPolarHBondContact O-CG 3.46Å; E3-E7 PolarHBondContact O-N 2.71Å; T5-E7 VanDerWaalsContact C-N 3.33Å; E7-K9 HydrophobicContact CB-CD 4.1Å; E7-K9 HydrophobicContact CB-CG 4.16Å; E7-K9 PolarHBondContact O-N 3.35Å; E7-K9 WeakPolarHBondContact OE2-CD 3.5Å; E7-K9 WeakPolarHBondContact OE2-CE 3.31Å; E7-K9 IonicContact OE2-NZ 2.69Å; E7-K9 PolarHBondContact OE2-NZ 3.24Å
8	D	90.4	Very high	93	Very high	137 Å²	137	99.4 Å²	99.4	73%	0.733	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	33.7	-176.5	-156.4	36.9	0	0	0	113.5	D4 T5 I6	D4-D8 PolarHBondContact O-N 3.3Å; D4-D8 VanDerWaalsContact O-N 3.11Å; T5-D8 PolarHBondContact O-N 2.8Å; I6-D8 VanDerWaalsContact C-N 3.33Å
9	K	95.2	Very high	92.6	Very high	146 Å²	146	99.3 Å²	99.3	64%	0.635	50%	0.495	S	S	*	.			trans	-110.4	0.3	179.4	-66.7	177.6	-171.6	162.8	0	113.7	D4 E7 D11	D4-K9 PolarHBondContact O-N 2.95Å; E7-K9 HydrophobicContact CB-CD 4.1Å; E7-K9 HydrophobicContact CB-CG 4.16Å; E7-K9 PolarHBondContact O-N 3.35Å; E7-K9 WeakPolarHBondContact OE2-CD 3.5Å; E7-K9 WeakPolarHBondContact OE2-CE 3.31Å; E7-K9 IonicContact OE2-NZ 2.69Å; E7-K9 PolarHBondContact OE2-NZ 3.24Å; K9-D11 PolarHBondContact O-N 3.41Å
10	L	94.7	Very high	91.2	Very high	41 Å²	41	100.2 Å²	100.2	22%	0.215	51%	0.506	C	S	.	.	S	Bend	trans	-67.1	127.3	179.2	-172	69.3	0	0	0	110.6	I1 D4 T12 Y15	I1-L10 HydrophobicContact CD1-CD1 3.58Å; D4-L10 HydrophobicContact CB-CB 4.05Å; D4-L10 HydrophobicContact CB-CD1 4.06Å; D4-L10 PolarHBondContact O-N 3.18Å; D4-L10 VanDerWaalsContact O-N 3.16Å; L10-T12 PolarHBondContact O-N 2.93Å; L10-Y15 HydrophobicContact CD1-CD2 3.64Å; L10-Y15 HydrophobicContact CD1-CE2 3.91Å; L10-Y15 HydrophobicContact CD1-CG 4.31Å; L10-Y15 HydrophobicContact CD2-CD1 4.43Å; L10-Y15 HydrophobicContact CD2-CD2 3.94Å; L10-Y15 HydrophobicContact CD2-CG 3.76Å; L10-Y15 HydrophobicContact CG-CD2 3.79Å; L10-Y15 HydrophobicContact CG-CG 4.11Å
11	D	94	Very high	89.5	Confident	70 Å²	70	106.3 Å²	106.3	37%	0.374	52%	0.523	S	S	.	.			trans	-67.6	116.6	-178.7	-177.4	11	0	0	0	111.9	K9 K13 H14 Y15	K9-D11 PolarHBondContact O-N 3.41Å; D11-K13 PolarHBondContact O-N 2.87Å; D11-K13 WeakPolarHBondContact OD1-CB 3.02Å; D11-K13 PolarHBondContact OD1-N 3.01Å; D11-H14 PolarHBondContact O-N 3.17Å; D11-H14 IonicContact OD2-CE1 3.38Å; D11-H14 PolarHBondContact OD2-CE1 2.78Å; D11-H14 IonicContact OD2-CG 3.58Å; D11-H14 IonicContact OD2-ND1 2.71Å; D11-H14 PolarHBondContact OD2-ND1 3.32Å; D11-Y15 PolarHBondContact O-N 3.47Å
12	T	91.5	Very high	87.5	Confident	77 Å²	77	107.2 Å²	107.2	47%	0.472	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.4	-179.6	57.7	0	0	0	0	113.7	L10 Y15 P16 Y17	L10-T12 PolarHBondContact O-N 2.93Å; T12-Y15 CarbonylContact O-C 3.51Å; T12-P16 VanDerWaalsContact O-CA 3.29Å; T12-P16 WeakPolarHBondContact O-CA 3.31Å; T12-Y17 HydrophobicContact CG2-CD2 4.36Å; T12-Y17 HydrophobicContact CG2-CE2 3.74Å
13	K	93.6	Very high	85.4	Confident	183 Å²	183	112 Å²	112	80%	0.796	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-38.7	171.2	-65.5	-179.7	179.8	177.2	0	111.8	D11	D11-K13 PolarHBondContact O-N 2.87Å; D11-K13 WeakPolarHBondContact OD1-CB 3.02Å; D11-K13 PolarHBondContact OD1-N 3.01Å
14	H	94.3	Very high	83	Confident	144 Å²	144	109.6 Å²	109.6	67%	0.667	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-32.7	178	-67.8	89.6	0	0	0	111.7	D11 P16	D11-H14 PolarHBondContact O-N 3.17Å; D11-H14 IonicContact OD2-CE1 3.38Å; D11-H14 PolarHBondContact OD2-CE1 2.78Å; D11-H14 IonicContact OD2-CG 3.58Å; D11-H14 IonicContact OD2-ND1 2.71Å; D11-H14 PolarHBondContact OD2-ND1 3.32Å; H14-P16 WeakPolarHBondContact O-CD 3.42Å
15	Y	93.7	Very high	80.4	Confident	121 Å²	121	111.2 Å²	111.2	48%	0.475	59%	0.59	S	S	.	*	S	Bend	trans	-124.4	75	-179.5	-63.3	-85.6	0	0	0	111.3	I1 L10 D11 T12	I1-Y15 HydrophobicContact CD1-CD2 4.39Å; I1-Y15 HydrophobicContact CD1-CE1 4.21Å; I1-Y15 HydrophobicContact CD1-CE2 3.5Å; I1-Y15 VanDerWaalsContact CD1-CE2 3.5Å; I1-Y15 VanDerWaalsContact CD1-OH 3.24Å; I1-Y15 WeakPolarHBondContact CD1-OH 3.29Å; L10-Y15 HydrophobicContact CD1-CD2 3.64Å; L10-Y15 HydrophobicContact CD1-CE2 3.91Å; L10-Y15 HydrophobicContact CD1-CG 4.31Å; L10-Y15 HydrophobicContact CD2-CD1 4.43Å; L10-Y15 HydrophobicContact CD2-CD2 3.94Å; L10-Y15 HydrophobicContact CD2-CG 3.76Å; L10-Y15 HydrophobicContact CG-CD2 3.79Å; L10-Y15 HydrophobicContact CG-CG 4.11Å; D11-Y15 PolarHBondContact O-N 3.47Å; T12-Y15 CarbonylContact O-C 3.51Å
16	P	93	Very high	78.3	Confident	95 Å²	95	119.2 Å²	119.2	62%	0.617	62%	0.622	S	S	*	*			trans	-71.8	145.2	-176.3	29.1	-35.5	0	0	0	112.4	T12 H14	T12-P16 VanDerWaalsContact O-CA 3.29Å; T12-P16 WeakPolarHBondContact O-CA 3.31Å; H14-P16 WeakPolarHBondContact O-CD 3.42Å
17	Y	89.9	Confident	76.4	Confident	144 Å²	144	122.9 Å²	122.9	57%	0.565	65%	0.65	S	S	*	*			trans	-76.3	132.3	170.8	-62.4	-76.7	0	0	0	110.8	T12 S19	T12-Y17 HydrophobicContact CG2-CD2 4.36Å; T12-Y17 HydrophobicContact CG2-CE2 3.74Å; Y17-S19 VanDerWaalsContact C-N 3.31Å
18	I	87.6	Confident	74.3	Confident	174 Å²	174	124 Å²	124	89%	0.892	66%	0.663	S	S	*	*	S	Bend	trans	-68.6	-34.9	173.8	-60.7	172.9	0	0	0	110.8
19	S	84.4	Confident	72.6	Confident	96 Å²	96	123.1 Å²	123.1	67%	0.671	66%	0.663	S	S	*	*	S	Bend	trans	-140.3	116.8	170.6	-60.4	0	0	0	0	107.6	Y17 R21	Y17-S19 VanDerWaalsContact C-N 3.31Å; S19-R21 PolarHBondContact O-N 3.48Å
20	T	64.8	Low	70.5	Confident	118 Å²	118	121.2 Å²	121.2	72%	0.724	68%	0.675	S	S	*	*			trans	-65.4	106.4	170	57.7	0	0	0	0	106.4	S22	T20-S22 PolarHBondContact O-N 2.89Å; T20-S22 VanDerWaalsContact O-N 3.15Å
21	R	55.6	Low	68.6	Low	229 Å²	229	124.8 Å²	124.8	86%	0.864	70%	0.698	S	S	*	*			trans	-60.3	120.7	157.6	-88.2	-176.1	-90.8	-159.9	-4.5	104.6	S19 S23	S19-R21 PolarHBondContact O-N 3.48Å; R21-S23 PolarHBondContact O-N 3.47Å
22	S	51.7	Low	66.5	Low	104 Å²	104	125 Å²	125	73%	0.727	71%	0.705	S	S	*	*			trans	-42.2	133.6	158.1	-71.4	0	0	0	0	106	T20 A24	T20-S22 PolarHBondContact O-N 2.89Å; T20-S22 VanDerWaalsContact O-N 3.15Å; S22-A24 WeakPolarHBondContact O-CA 3.24Å; S22-A24 WeakPolarHBondContact O-CB 3.43Å; S22-A24 PolarHBondContact O-N 3.23Å
23	S	52	Low	64.6	Low	129 Å²	129	126.7 Å²	126.7	90%	0.902	73%	0.727	S	S	*	*			trans	-52.9	77.4	-179.9	45.6	0	0	0	0	110	R21 S25	R21-S23 PolarHBondContact O-N 3.47Å; S23-S25 PolarHBondContact O-N 3.49Å
24	A	43.8	Very low	62.9	Low	71 Å²	71	128.9 Å²	128.9	59%	0.587	73%	0.731	S	S	*	*			trans	-81.3	111.7	-175.3	0	0	0	0	0	103	S22 F26	S22-A24 WeakPolarHBondContact O-CA 3.24Å; S22-A24 WeakPolarHBondContact O-CB 3.43Å; S22-A24 PolarHBondContact O-N 3.23Å; A24-F26 PolarHBondContact O-N 2.89Å
25	S	41.8	Very low	60.8	Low	97 Å²	97	129 Å²	129	68%	0.678	73%	0.726	S	S	*	*			trans	-29.7	130.7	161.4	-165.8	0	0	0	0	109.6	S23 S27	S23-S25 PolarHBondContact O-N 3.49Å; S25-S27 PolarHBondContact O-N 3.39Å
26	F	49.5	Very low	58.8	Low	206 Å²	206	125.5 Å²	125.5	90%	0.904	73%	0.727	S	S	*	*	S	Bend	trans	-59.7	47.1	-168.8	-61.6	-90.8	0	0	0	115.6	A24	A24-F26 PolarHBondContact O-N 2.89Å
27	S	50.7	Low	56.9	Low	94 Å²	94	126.5 Å²	126.5	66%	0.657	72%	0.723	S	S	*	*			trans	-134.1	31.2	-167	82.4	0	0	0	0	115.5	S25	S25-S27 PolarHBondContact O-N 3.39Å
28	T	47.6	Very low	55.2	Low	127 Å²	127	128 Å²	128	78%	0.779	73%	0.728	S	S	*	*			trans	-133.7	98.4	160.9	53.5	0	0	0	0	110.2	A30	T28-A30 PolarHBondContact O-N 3.42Å
29	T	54.4	Low	53.6	Low	119 Å²	119	122.2 Å²	122.2	73%	0.73	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-59	117.3	163.4	34.7	0	0	0	0	107.9	V31	T29-V31 WeakPolarHBondContact O-CG2 3.42Å; T29-V31 PolarHBondContact O-N 2.91Å
30	A	52.6	Low	52	Low	107 Å²	107	124.2 Å²	124.2	88%	0.884	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-63.1	117.2	173.9	0	0	0	0	0	108.9	T28	T28-A30 PolarHBondContact O-N 3.42Å
31	V	53.3	Low	51.4	Low	115 Å²	115	126.1 Å²	126.1	70%	0.697	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-101.5	122.6	179.5	-161.3	0	0	0	0	108.9	T29	T29-V31 WeakPolarHBondContact O-CG2 3.42Å; T29-V31 PolarHBondContact O-N 2.91Å
32	S	51.4	Low	51.2	Low	75 Å²	75	119.6 Å²	119.6	52%	0.524	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-71.1	134.9	170.4	173.4	0	0	0	0	110.2	R34 Y35	S32-R34 PolarHBondContact O-N 2.89Å; S32-R34 VanDerWaalsContact O-N 3.08Å; S32-R34 PolarHBondContact OG-N 3.2Å; S32-Y35 PolarHBondContact O-N 2.92Å
33	A	51.8	Low	51.1	Low	113 Å²	113	117.7 Å²	117.7	93%	0.934	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-7.5	174.6	0	0	0	0	0	113.9
34	R	57.6	Low	51	Low	229 Å²	229	117.8 Å²	117.8	86%	0.864	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	38.8	174.5	-51.3	-177	-145.5	-111.2	2.5	111.2	S32 G36	S32-R34 PolarHBondContact O-N 2.89Å; S32-R34 VanDerWaalsContact O-N 3.08Å; S32-R34 PolarHBondContact OG-N 3.2Å; R34-G36 PolarHBondContact O-N 2.94Å
35	Y	50	Low	51.4	Low	145 Å²	145	118.1 Å²	118.1	57%	0.569	68%	0.676	S	S	*	*			trans	-70.3	75.8	-179.2	-166.5	-102.3	0	0	0	110.9	S32	S32-Y35 PolarHBondContact O-N 2.92Å
36	G	52.2	Low	51.9	Low	48 Å²	48	118.8 Å²	118.8	50%	0.495	67%	0.668	S	S	.	*			trans	-72.5	137.3	157.4	0	0	0	0	0	108.8	R34 W38	R34-G36 PolarHBondContact O-N 2.94Å; G36-W38 PolarHBondContact O-N 3.23Å
37	H	52.4	Low	52.1	Low	117 Å²	117	114.6 Å²	114.6	54%	0.542	65%	0.647	S	S	.	*	S	Bend	trans	-60.7	30.4	-170.4	-141.4	37.4	0	0	0	116.9	H39 K40	H37-H39 PolarHBondContact O-N 2.66Å; H37-H39 VanDerWaalsContact O-N 3.1Å; H37-K40 WeakPolarHBondContact CE1-CD 3.45Å; H37-K40 WeakPolarHBondContact NE2-CD 3.35Å; H37-K40 PolarHBondContact NE2-NZ 2.54Å; H37-K40 PolarHBondContact O-N 3.15Å
38	W	54	Low	52.6	Low	174 Å²	174	116 Å²	116	66%	0.659	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-20	-170.1	93.9	-92.6	0	0	0	113.6	G36	G36-W38 PolarHBondContact O-N 3.23Å
39	H	53.4	Low	53.5	Low	53 Å²	53	115.4 Å²	115.4	25%	0.245	64%	0.639	C	S	.	*	T	Hydrogen-bonded Turn	trans	-80.5	-21.7	-178.6	-68.3	-108.4	0	0	0	114	H37 N41 K42 Y47	H37-H39 PolarHBondContact O-N 2.66Å; H37-H39 VanDerWaalsContact O-N 3.1Å; H39-N41 PolarHBondContact O-N 3.33Å; H39-K42 PolarHBondContact O-N 2.66Å; H39-Y47 HydrophobicContact CB-CE1 4.16Å; H39-Y47 PolarHBondContact O-OH 3.15Å
40	K	51.9	Low	54.7	Low	139 Å²	139	111 Å²	111	60%	0.604	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-12	-163.9	-158.9	164.6	-178.9	-177.7	0	115.1	H37	H37-K40 WeakPolarHBondContact CE1-CD 3.45Å; H37-K40 WeakPolarHBondContact NE2-CD 3.35Å; H37-K40 PolarHBondContact NE2-NZ 2.54Å; H37-K40 PolarHBondContact O-N 3.15Å
41	N	51.2	Low	56.4	Low	157 Å²	157	108 Å²	108	84%	0.84	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	5.2	-176.4	-66.6	-26.8	0	0	0	115.1	H39	H39-N41 PolarHBondContact O-N 3.33Å
42	K	52.5	Low	58.2	Low	92 Å²	92	109.3 Å²	109.3	40%	0.4	58%	0.581	S	S	.	*	S	Bend	trans	-92.1	136.4	175.3	-74.8	-171.6	165.3	-127.3	0	111.3	H39 E46 Y47	H39-K42 PolarHBondContact O-N 2.66Å; K42-E46 HydrophobicContact CB-CB 4.24Å; K42-E46 WeakPolarHBondContact CB-OE2 3.42Å; K42-E46 HydrophobicContact CD-CB 4.45Å; K42-E46 WeakPolarHBondContact CD-OE2 3.27Å; K42-E46 VanDerWaalsContact CG-OE2 3.32Å; K42-E46 WeakPolarHBondContact CG-OE2 3.47Å; K42-E46 IonicContact NZ-OE1 3.84Å; K42-E46 PolarHBondContact NZ-OE1 3.26Å; K42-E46 IonicContact NZ-OE2 2.85Å; K42-E46 PolarHBondContact NZ-OE2 3.25Å; K42-Y47 HydrophobicContact CB-CE2 4.42Å; K42-Y47 VanDerWaalsContact O-CE2 3.28Å; K42-Y47 WeakPolarHBondContact O-CE2 3.44Å
43	A	49.2	Very low	60.2	Low	65 Å²	65	106.8 Å²	106.8	54%	0.537	56%	0.561	S	S	.	*			trans	-58.9	149.2	-179.2	0	0	0	0	0	110.9	G45 E46	A43-G45 PolarHBondContact O-N 3.24Å; A43-E46 PolarHBondContact O-N 2.96Å
44	P	49.3	Very low	62.3	Low	131 Å²	131	107.4 Å²	107.4	85%	0.851	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-0.2	-174.4	20.4	-30.8	0	0	0	116
45	G	52.3	Low	64.2	Low	77 Å²	77	98 Å²	98	79%	0.794	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-10.6	170.6	0	0	0	0	0	115.6	A43	A43-G45 PolarHBondContact O-N 3.24Å
46	E	53.4	Low	66.4	Low	111 Å²	111	97.3 Å²	97.3	52%	0.519	52%	0.515	S	S	.	.	S	Bend	trans	-94.5	-7	179.2	-99.7	-170.5	128.3	0	0	113.5	K42 A43 R48	K42-E46 HydrophobicContact CB-CB 4.24Å; K42-E46 WeakPolarHBondContact CB-OE2 3.42Å; K42-E46 HydrophobicContact CD-CB 4.45Å; K42-E46 WeakPolarHBondContact CD-OE2 3.27Å; K42-E46 VanDerWaalsContact CG-OE2 3.32Å; K42-E46 WeakPolarHBondContact CG-OE2 3.47Å; K42-E46 IonicContact NZ-OE1 3.84Å; K42-E46 PolarHBondContact NZ-OE1 3.26Å; K42-E46 IonicContact NZ-OE2 2.85Å; K42-E46 PolarHBondContact NZ-OE2 3.25Å; A43-E46 PolarHBondContact O-N 2.96Å; E46-R48 PolarHBondContact O-N 3.31Å
47	Y	53.4	Low	68.5	Low	119 Å²	119	97 Å²	97	47%	0.467	50%	0.501	S	S	.	.			trans	-78.3	84	178.2	-78.6	-91.6	0	0	0	110.9	H39 K42 S49	H39-Y47 HydrophobicContact CB-CE1 4.16Å; H39-Y47 PolarHBondContact O-OH 3.15Å; K42-Y47 HydrophobicContact CB-CE2 4.42Å; K42-Y47 VanDerWaalsContact O-CE2 3.28Å; K42-Y47 WeakPolarHBondContact O-CE2 3.44Å; Y47-S49 VanDerWaalsContact C-N 3.31Å; Y47-S49 PolarHBondContact O-N 3.3Å
48	R	60.3	Low	70.3	Confident	124 Å²	124	98.4 Å²	98.4	47%	0.468	51%	0.512	S	S	.	.			trans	-76.1	87.7	162.9	-64.6	-168.2	-177.1	-152.6	2.7	108.7	E46 G50	E46-R48 PolarHBondContact O-N 3.31Å; R48-G50 PolarHBondContact O-N 3.26Å
49	S	66.1	Low	72	Confident	114 Å²	114	91.8 Å²	91.8	80%	0.797	50%	0.498	S	S	*	.			trans	-79.8	22.7	175.8	-173.5	0	0	0	0	113.1	Y47	Y47-S49 VanDerWaalsContact C-N 3.31Å; Y47-S49 PolarHBondContact O-N 3.3Å
50	G	80.1	Confident	73.9	Confident	26 Å²	26	89.5 Å²	89.5	27%	0.268	49%	0.488	S	S	.	.	S	Bend	trans	-87.3	167.9	-174.7	0	0	0	0	0	113.9	R48 K78	R48-G50 PolarHBondContact O-N 3.26Å; G50-K78 VanDerWaalsContact CA-O 3.32Å; G50-K78 WeakPolarHBondContact CA-O 3.33Å
51	P	89.2	Confident	76.1	Confident	44 Å²	44	83.2 Å²	83.2	29%	0.286	46%	0.462	S	S	.	.			trans	-55.6	142.1	168.8	25.9	-36.9	0	0	0	111.6	K78 W79 E80	P51-K78 WeakPolarHBondContact CD-O 3.32Å; P51-K78 HydrophobicContact CG-CG 4.44Å; P51-W79 HydrophobicContact CB-CD2 3.85Å; P51-W79 HydrophobicContact CB-CE3 3.74Å; P51-W79 HydrophobicContact CB-CH2 3.89Å; P51-W79 HydrophobicContact CB-CZ2 3.97Å; P51-W79 HydrophobicContact CB-CZ3 3.77Å; P51-W79 HydrophobicContact CG-CD2 3.47Å; P51-W79 VanDerWaalsContact CG-CD2 3.47Å; P51-W79 VanDerWaalsContact CG-CE2 3.45Å; P51-W79 HydrophobicContact CG-CE3 3.92Å; P51-W79 HydrophobicContact CG-CG 3.83Å; P51-W79 HydrophobicContact CG-CH2 4.32Å; P51-W79 HydrophobicContact CG-CZ2 3.91Å; P51-W79 HydrophobicContact CG-CZ3 4.32Å; P51-W79 WeakPolarHBondContact O-CA 3.18Å; P51-E80 PolarHBondContact O-N 3.3Å
52	R	91.3	Very high	78.3	Confident	142 Å²	142	77.4 Å²	77.4	54%	0.536	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.8	179.7	-68.7	179.8	173.8	163.4	3.6	110.7	E80	R52-E80 CarbonylContact C-O 3.47Å; R52-E80 VanDerWaalsContact CA-O 3.31Å; R52-E80 WeakPolarHBondContact CA-O 3.43Å; R52-E80 HydrophobicContact CG-CB 4.2Å; R52-E80 IonicContact CZ-OE2 2.77Å; R52-E80 IonicContact NE-OE2 2.83Å; R52-E80 PolarHBondContact NE-OE2 2.96Å; R52-E80 IonicContact NH2-OE2 3.49Å; R52-E80 PolarHBondContact NH2-OE2 3.19Å
53	L	93.5	Very high	80.4	Confident	22 Å²	22	77.3 Å²	77.3	12%	0.115	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.6	167.5	176.6	57	0	0	0	108.2	M2 T5 I6 I55 W79 E80 V81 L82	M2-L53 HydrophobicContact CB-CD2 4.46Å; T5-L53 HydrophobicContact CG2-CD1 3.71Å; T5-L53 HydrophobicContact CG2-CD2 4.19Å; I6-L53 HydrophobicContact CD1-CD2 4.42Å; I6-L53 HydrophobicContact CG1-CD2 4.22Å; L53-I55 HydrophobicContact CD1-CG1 4.38Å; L53-I55 HydrophobicContact CD2-CD1 4.1Å; L53-I55 HydrophobicContact CG-CD1 4.15Å; L53-I55 HydrophobicContact CG-CG1 4.08Å; L53-W79 HydrophobicContact CB-CE3 4.14Å; L53-W79 HydrophobicContact CB-CZ3 4.23Å; L53-E80 PolarHBondContact N-O 2.67Å; L53-V81 HydrophobicContact CB-CG2 4.41Å; L53-V81 HydrophobicContact CD2-CG1 4.43Å; L53-V81 HydrophobicContact CD2-CG2 4.45Å; L53-V81 HydrophobicContact CG-CG1 4.49Å; L53-V81 WeakPolarHBondContact O-CA 3.36Å; L53-L82 PolarHBondContact O-N 3.42Å
54	I	95.8	Very high	82.7	Confident	127 Å²	127	80.1 Å²	80.1	65%	0.651	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.4	179	-55.6	176.9	0	0	0	108.6	L82	I54-L82 CarbonylContact C-O 3.45Å; I54-L82 WeakPolarHBondContact CA-O 3.36Å; I54-L82 HydrophobicContact CG1-CB 4.42Å; I54-L82 HydrophobicContact CG1-CD1 4.36Å
55	I	96.4	Very high	85	Confident	32 Å²	32	77.3 Å²	77.3	16%	0.164	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.2	-178.4	-61.3	169.4	0	0	0	108.6	M2 L53 I57 V81 L82 I83 G84	M2-I55 HydrophobicContact CE-CD1 3.79Å; M2-I55 HydrophobicContact CG-CD1 3.46Å; M2-I55 VanDerWaalsContact CG-CD1 3.46Å; M2-I55 HydrophobicContact SD-CD1 4.32Å; L53-I55 HydrophobicContact CD1-CG1 4.38Å; L53-I55 HydrophobicContact CD2-CD1 4.1Å; L53-I55 HydrophobicContact CG-CD1 4.15Å; L53-I55 HydrophobicContact CG-CG1 4.08Å; I55-I57 HydrophobicContact CG2-CG1 4.18Å; I55-V81 HydrophobicContact CD1-CG1 4.04Å; I55-L82 PolarHBondContact N-O 3.37Å; I55-I83 HydrophobicContact CB-CG1 4.27Å; I55-I83 HydrophobicContact CG2-CG1 4.24Å; I55-I83 WeakPolarHBondContact O-CA 3.43Å; I55-G84 PolarHBondContact O-N 2.95Å
56	F	96.7	Very high	87.1	Confident	130 Å²	130	76.7 Å²	76.7	57%	0.57	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.3	174.3	-169.6	-100.5	0	0	0	110	L58 G84 S85 T86	F56-L58 HydrophobicContact CD1-CD2 3.86Å; F56-L58 HydrophobicContact CE1-CD2 3.6Å; F56-G84 CarbonylContact C-O 3.57Å; F56-G84 WeakPolarHBondContact CA-O 3.49Å; F56-S85 VanDerWaalsContact CE2-C 3.44Å; F56-S85 WeakPolarHBondContact CE2-O 3.36Å; F56-T86 HydrophobicContact CZ-CG2 4.27Å
57	I	95.8	Very high	89.2	Confident	41 Å²	41	78.9 Å²	78.9	21%	0.21	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.1	178.6	-57.3	-177.6	0	0	0	109.4	I55 G60 V61 E65 I83 G84 S85	I55-I57 HydrophobicContact CG2-CG1 4.18Å; I57-G60 WeakPolarHBondContact CG2-O 3.32Å; I57-V61 HydrophobicContact CD1-CG2 4.05Å; I57-E65 HydrophobicContact CD1-CB 4.47Å; I57-E65 HydrophobicContact CD1-CG 4.47Å; I57-I83 HydrophobicContact CD1-CD1 3.93Å; I57-I83 HydrophobicContact CD1-CG1 4.48Å; I57-G84 PolarHBondContact N-O 3.01Å; I57-S85 WeakPolarHBondContact O-CA 3.24Å; I57-S85 WeakPolarHBondContact O-CB 3.27Å
58	L	91.6	Very high	91.3	Very high	146 Å²	146	75.9 Å²	75.9	76%	0.764	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	138.5	173.8	-59.5	179.5	0	0	0	110.2	F56 G60	F56-L58 HydrophobicContact CD1-CD2 3.86Å; F56-L58 HydrophobicContact CE1-CD2 3.6Å; L58-G60 VanDerWaalsContact C-N 3.31Å
59	G	88.6	Confident	93	Very high	36 Å²	36	70.1 Å²	70.1	37%	0.371	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	5.5	178.6	0	0	0	0	0	114.7	H87	G59-H87 PolarHBondContact O-CE1 3.4Å
60	G	93.4	Very high	94.3	Very high	4 Å²	4	71.8 Å²	71.8	4%	0.041	36%	0.363	C	S	.	.			trans	111.9	161.3	172.4	0	0	0	0	0	113.8	I57 L58 T86 H87	I57-G60 WeakPolarHBondContact CG2-O 3.32Å; L58-G60 VanDerWaalsContact C-N 3.31Å; G60-T86 PolarHBondContact N-OG1 3.03Å; G60-H87 CarbonylContact C-O 3.57Å; G60-H87 WeakPolarHBondContact CA-O 3.39Å
61	V	97.4	Very high	95.1	Very high	7 Å²	7	74.9 Å²	74.9	4%	0.042	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.4	-179.6	65.2	0	0	0	0	109.8	I57 E65 I83 S85 H87 I88 L89	I57-V61 HydrophobicContact CD1-CG2 4.05Å; V61-E65 HydrophobicContact CG2-CB 3.98Å; V61-I83 HydrophobicContact CG2-CD1 3.75Å; V61-I83 HydrophobicContact CG2-CG1 4.08Å; V61-S85 WeakPolarHBondContact CB-OG 3.41Å; V61-S85 WeakPolarHBondContact CG1-OG 3.45Å; V61-S85 PolarHBondContact N-OG 2.98Å; V61-S85 VanDerWaalsContact N-OG 3.12Å; V61-H87 PolarHBondContact N-O 3.03Å; V61-I88 HydrophobicContact CG1-CG1 4.23Å; V61-L89 PolarHBondContact O-N 2.89Å
62	S	97.4	Very high	95.4	Very high	35 Å²	35	73.4 Å²	73.4	25%	0.245	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	154.8	174	71.4	0	0	0	0	111.9	N64 E65 M66	S62-N64 PolarHBondContact O-N 3.41Å; S62-E65 WeakPolarHBondContact CB-OE2 3.48Å; S62-E65 PolarHBondContact N-OE2 3.03Å; S62-E65 PolarHBondContact O-N 3.04Å; S62-E65 VanDerWaalsContact OG-CD 3.24Å; S62-E65 VanDerWaalsContact OG-CG 3.28Å; S62-E65 WeakPolarHBondContact OG-CG 3.28Å; S62-E65 PolarHBondContact OG-N 3.01Å; S62-E65 PolarHBondContact OG-OE2 3.27Å; S62-M66 PolarHBondContact O-N 2.82Å; S62-M66 VanDerWaalsContact O-N 3.13Å
63	L	96.6	Very high	95.4	Very high	91 Å²	91	67.3 Å²	67.3	48%	0.476	34%	0.339	S	S	.	.	H	α-helix	trans	-61.9	-29	176.2	-62.8	176.4	0	0	0	112.8	M66 R67 I88	L63-M66 HydrophobicContact CD2-CE 3.64Å; L63-M66 PolarHBondContact O-N 3.01Å; L63-R67 WeakPolarHBondContact O-CB 3.35Å; L63-R67 PolarHBondContact O-N 3.05Å; L63-I88 HydrophobicContact CD2-CG2 3.93Å
64	N	97.6	Very high	95.3	Very high	123 Å²	123	73.2 Å²	73.2	66%	0.658	37%	0.367	S	S	*	.	H	α-helix	trans	-70	-40.7	177.6	-68.4	-12.3	0	0	0	111.3	S62 M66 R67 C68	S62-N64 PolarHBondContact O-N 3.41Å; N64-M66 VanDerWaalsContact C-N 3.34Å; N64-R67 WeakPolarHBondContact O-CB 3.4Å; N64-R67 PolarHBondContact O-N 2.76Å; N64-C68 PolarHBondContact O-N 3.31Å; N64-C68 PolarHBondContact O-SG 3.48Å
65	E	97.6	Very high	95.1	Very high	73 Å²	73	70.9 Å²	70.9	34%	0.341	37%	0.366	S	S	.	.	H	α-helix	trans	-65.8	-39.2	174.9	-69.2	160.7	136.7	0	0	111.5	I57 V61 S62 R67 C68 A69 I83	I57-E65 HydrophobicContact CD1-CB 4.47Å; I57-E65 HydrophobicContact CD1-CG 4.47Å; V61-E65 HydrophobicContact CG2-CB 3.98Å; S62-E65 WeakPolarHBondContact CB-OE2 3.48Å; S62-E65 PolarHBondContact N-OE2 3.03Å; S62-E65 PolarHBondContact O-N 3.04Å; S62-E65 VanDerWaalsContact OG-CD 3.24Å; S62-E65 VanDerWaalsContact OG-CG 3.28Å; S62-E65 WeakPolarHBondContact OG-CG 3.28Å; S62-E65 PolarHBondContact OG-N 3.01Å; S62-E65 PolarHBondContact OG-OE2 3.27Å; E65-R67 VanDerWaalsContact C-N 3.31Å; E65-R67 PolarHBondContact O-N 3.18Å; E65-C68 PolarHBondContact O-N 2.7Å; E65-A69 PolarHBondContact O-N 3.13Å; E65-A69 VanDerWaalsContact O-N 3.15Å; E65-I83 HydrophobicContact CB-CD1 3.92Å
66	M	97	Very high	94.4	Very high	64 Å²	64	72.5 Å²	72.5	32%	0.315	38%	0.375	S	S	.	.	H	α-helix	trans	-60.5	-42.9	173.6	-172.9	173.3	65.5	0	0	111.3	S62 L63 N64 A69 Y70 I83	S62-M66 PolarHBondContact O-N 2.82Å; S62-M66 VanDerWaalsContact O-N 3.13Å; L63-M66 HydrophobicContact CD2-CE 3.64Å; L63-M66 PolarHBondContact O-N 3.01Å; N64-M66 VanDerWaalsContact C-N 3.34Å; M66-A69 WeakPolarHBondContact O-CB 3.49Å; M66-A69 PolarHBondContact O-N 3.23Å; M66-Y70 HydrophobicContact CG-CD2 4.49Å; M66-Y70 HydrophobicContact CG-CE2 4.07Å; M66-Y70 VanDerWaalsContact O-CD2 3.23Å; M66-Y70 WeakPolarHBondContact O-CD2 3.28Å; M66-Y70 PolarHBondContact O-N 2.88Å; M66-I83 HydrophobicContact CB-CG2 4.44Å; M66-I83 HydrophobicContact CG-CG2 4.32Å
67	R	97	Very high	93.4	Very high	157 Å²	157	69.4 Å²	69.4	59%	0.592	38%	0.38	S	S	*	.	H	α-helix	trans	-61	-44.7	174.2	179.2	178.9	176.8	143.7	4.1	112.1	L63 N64 E65 A69 Y70 E71	L63-R67 WeakPolarHBondContact O-CB 3.35Å; L63-R67 PolarHBondContact O-N 3.05Å; N64-R67 WeakPolarHBondContact O-CB 3.4Å; N64-R67 PolarHBondContact O-N 2.76Å; E65-R67 VanDerWaalsContact C-N 3.31Å; E65-R67 PolarHBondContact O-N 3.18Å; R67-A69 VanDerWaalsContact C-N 3.26Å; R67-A69 PolarHBondContact O-N 2.96Å; R67-Y70 WeakPolarHBondContact O-CB 3.31Å; R67-Y70 PolarHBondContact O-N 3.21Å; R67-E71 HydrophobicContact CG-CG 4.36Å; R67-E71 IonicContact CZ-OE1 3.5Å; R67-E71 IonicContact NE-OE1 3.47Å; R67-E71 PolarHBondContact NE-OE1 2.92Å; R67-E71 IonicContact NH2-OE1 3.47Å; R67-E71 PolarHBondContact NH2-OE1 3.12Å; R67-E71 PolarHBondContact O-N 2.77Å
68	C	97.2	Very high	92.9	Very high	55 Å²	55	74.4 Å²	74.4	37%	0.372	40%	0.4	S	S	.	.	H	α-helix	trans	-57.2	-39.6	177.2	-66.4	0	0	0	0	112.1	M2 N64 E65 Y70 E71 V72	M2-C68 HydrophobicContact SD-CB 4.27Å; N64-C68 PolarHBondContact O-N 3.31Å; N64-C68 PolarHBondContact O-SG 3.48Å; E65-C68 PolarHBondContact O-N 2.7Å; C68-Y70 VanDerWaalsContact C-N 3.3Å; C68-Y70 PolarHBondContact O-N 2.78Å; C68-E71 PolarHBondContact O-N 2.83Å; C68-V72 VanDerWaalsContact O-CG2 3.31Å; C68-V72 WeakPolarHBondContact O-CG2 3.14Å; C68-V72 PolarHBondContact O-N 3.26Å
69	A	96.1	Very high	92.8	Very high	3 Å²	3	70.1 Å²	70.1	3%	0.025	37%	0.374	C	S	.	.	H	α-helix	trans	-60.5	-38.9	176.2	0	0	0	0	0	112.6	M2 E65 M66 R67 T73 V81 I83	M2-A69 HydrophobicContact CE-CB 3.99Å; M2-A69 HydrophobicContact SD-CB 4.18Å; E65-A69 PolarHBondContact O-N 3.13Å; E65-A69 VanDerWaalsContact O-N 3.15Å; M66-A69 WeakPolarHBondContact O-CB 3.49Å; M66-A69 PolarHBondContact O-N 3.23Å; R67-A69 VanDerWaalsContact C-N 3.26Å; R67-A69 PolarHBondContact O-N 2.96Å; A69-T73 VanDerWaalsContact O-CB 3.24Å; A69-T73 WeakPolarHBondContact O-CB 3.42Å; A69-T73 PolarHBondContact O-N 3.47Å; A69-T73 PolarHBondContact O-OG1 2.83Å; A69-V81 HydrophobicContact CB-CB 4.25Å; A69-V81 HydrophobicContact CB-CG1 3.82Å; A69-I83 HydrophobicContact CB-CB 4.13Å; A69-I83 HydrophobicContact CB-CG2 3.64Å
70	Y	94.9	Very high	93	Very high	149 Å²	149	70.4 Å²	70.4	58%	0.584	37%	0.366	S	S	*	.	H	α-helix	trans	-67.4	-45.4	174.6	-77.7	-74.7	0	0	0	112.3	M66 R67 C68 V72 T73 Q74	M66-Y70 HydrophobicContact CG-CD2 4.49Å; M66-Y70 HydrophobicContact CG-CE2 4.07Å; M66-Y70 VanDerWaalsContact O-CD2 3.23Å; M66-Y70 WeakPolarHBondContact O-CD2 3.28Å; M66-Y70 PolarHBondContact O-N 2.88Å; R67-Y70 WeakPolarHBondContact O-CB 3.31Å; R67-Y70 PolarHBondContact O-N 3.21Å; C68-Y70 VanDerWaalsContact C-N 3.3Å; C68-Y70 PolarHBondContact O-N 2.78Å; Y70-V72 PolarHBondContact O-N 2.87Å; Y70-T73 PolarHBondContact O-N 3.47Å; Y70-Q74 WeakPolarHBondContact O-CG 3.23Å; Y70-Q74 PolarHBondContact O-N 2.9Å
71	E	95.9	Very high	93	Very high	91 Å²	91	70.8 Å²	70.8	43%	0.425	37%	0.367	S	S	.	.	H	α-helix	trans	-60.1	-46.9	179.9	-70.7	172.6	170.2	0	0	110.8	R67 C68 T73 Q74 A75	R67-E71 HydrophobicContact CG-CG 4.36Å; R67-E71 IonicContact CZ-OE1 3.5Å; R67-E71 IonicContact NE-OE1 3.47Å; R67-E71 PolarHBondContact NE-OE1 2.92Å; R67-E71 IonicContact NH2-OE1 3.47Å; R67-E71 PolarHBondContact NH2-OE1 3.12Å; R67-E71 PolarHBondContact O-N 2.77Å; C68-E71 PolarHBondContact O-N 2.83Å; E71-T73 PolarHBondContact O-N 2.97Å; E71-Q74 PolarHBondContact O-N 2.94Å; E71-A75 WeakPolarHBondContact O-CB 3.39Å; E71-A75 PolarHBondContact O-N 3.14Å
72	V	95.1	Very high	92.9	Very high	14 Å²	14	73.8 Å²	73.8	9%	0.085	38%	0.382	C	S	.	.	H	α-helix	trans	-65.2	-39.9	177.4	175.4	0	0	0	0	111.7	M2 E3 I6 C68 Y70 Q74 A75 N76 V81	M2-V72 HydrophobicContact CB-CG1 4.22Å; M2-V72 HydrophobicContact CB-CG2 4.14Å; M2-V72 HydrophobicContact SD-CG2 4.35Å; E3-V72 HydrophobicContact CG-CG1 4.41Å; E3-V72 HydrophobicContact CG-CG2 3.92Å; I6-V72 HydrophobicContact CD1-CG1 3.39Å; C68-V72 VanDerWaalsContact O-CG2 3.31Å; C68-V72 WeakPolarHBondContact O-CG2 3.14Å; C68-V72 PolarHBondContact O-N 3.26Å; Y70-V72 PolarHBondContact O-N 2.87Å; V72-Q74 VanDerWaalsContact C-N 3.29Å; V72-Q74 PolarHBondContact O-N 3.18Å; V72-A75 PolarHBondContact O-N 3.07Å; V72-N76 PolarHBondContact O-N 2.78Å; V72-V81 HydrophobicContact CB-CG2 4.43Å; V72-V81 HydrophobicContact CG1-CG2 3.99Å
73	T	91.8	Very high	92.9	Very high	13 Å²	13	74 Å²	74	8%	0.08	38%	0.38	C	S	.	.	H	α-helix	trans	-66.1	-30.9	176.5	-65.1	0	0	0	0	112.8	A69 Y70 E71 N76 V81	A69-T73 VanDerWaalsContact O-CB 3.24Å; A69-T73 WeakPolarHBondContact O-CB 3.42Å; A69-T73 PolarHBondContact O-N 3.47Å; A69-T73 PolarHBondContact O-OG1 2.83Å; Y70-T73 PolarHBondContact O-N 3.47Å; E71-T73 PolarHBondContact O-N 2.97Å; T73-N76 CarbonylContact O-C 3.58Å; T73-V81 VanDerWaalsContact OG1-CB 3.27Å; T73-V81 WeakPolarHBondContact OG1-CB 3.34Å; T73-V81 WeakPolarHBondContact OG1-CG2 3.32Å; T73-V81 PolarHBondContact OG1-N 3.36Å
74	Q	91.3	Very high	92.9	Very high	147 Å²	147	70.9 Å²	70.9	69%	0.687	37%	0.371	S	S	*	.	H	α-helix	trans	-78.1	-41	175.1	-73.4	-178.6	6.4	0	0	111.7	Y70 E71 V72 N76	Y70-Q74 WeakPolarHBondContact O-CG 3.23Å; Y70-Q74 PolarHBondContact O-N 2.9Å; E71-Q74 PolarHBondContact O-N 2.94Å; V72-Q74 VanDerWaalsContact C-N 3.29Å; V72-Q74 PolarHBondContact O-N 3.18Å; Q74-N76 VanDerWaalsContact C-N 3.32Å; Q74-N76 PolarHBondContact O-N 3.17Å
75	A	91.1	Very high	92.8	Very high	78 Å²	78	66.2 Å²	66.2	65%	0.645	35%	0.348	S	S	*	.	H	α-helix	trans	-62.4	-40.3	175.4	0	0	0	0	0	111.6	E71 V72	E71-A75 WeakPolarHBondContact O-CB 3.39Å; E71-A75 PolarHBondContact O-N 3.14Å; V72-A75 PolarHBondContact O-N 3.07Å
76	N	82	Confident	92.6	Very high	65 Å²	65	66.3 Å²	66.3	35%	0.348	35%	0.353	S	S	.	.			trans	-109.9	81.9	178.3	-92.9	38.2	0	0	0	111.7	I6 V72 T73 Q74 K78 W79	I6-N76 HydrophobicContact CG2-CB 4.34Å; I6-N76 WeakPolarHBondContact CG2-ND2 3.06Å; V72-N76 PolarHBondContact O-N 2.78Å; T73-N76 CarbonylContact O-C 3.58Å; Q74-N76 VanDerWaalsContact C-N 3.32Å; Q74-N76 PolarHBondContact O-N 3.17Å; N76-K78 PolarHBondContact O-N 2.83Å; N76-W79 HydrophobicContact CB-CB 4.5Å; N76-W79 PolarHBondContact O-N 3.49Å; N76-W79 VanDerWaalsContact O-O 3.1Å
77	G	76.2	Confident	92.3	Very high	65 Å²	65	64.4 Å²	64.4	67%	0.67	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-7.9	178.9	0	0	0	0	0	116.3
78	K	85.9	Confident	92.2	Very high	147 Å²	147	61.6 Å²	61.6	64%	0.639	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-30.1	172	-177.4	177.8	176.9	-175.3	0	112.9	G50 P51 N76	G50-K78 VanDerWaalsContact CA-O 3.32Å; G50-K78 WeakPolarHBondContact CA-O 3.33Å; P51-K78 WeakPolarHBondContact CD-O 3.32Å; P51-K78 HydrophobicContact CG-CG 4.44Å; N76-K78 PolarHBondContact O-N 2.83Å
79	W	89.4	Confident	92.1	Very high	55 Å²	55	59.8 Å²	59.8	21%	0.208	33%	0.326	C	S	.	.			trans	-105.4	148.6	-174.9	-78	80.7	0	0	0	111	I6 P51 L53 N76	I6-W79 HydrophobicContact CB-CD2 4.45Å; I6-W79 HydrophobicContact CB-CG 4.5Å; I6-W79 HydrophobicContact CD1-CB 4.08Å; I6-W79 HydrophobicContact CD1-CG 4.33Å; I6-W79 HydrophobicContact CG1-CB 4.26Å; I6-W79 HydrophobicContact CG1-CD2 3.85Å; I6-W79 HydrophobicContact CG1-CE3 4.02Å; I6-W79 HydrophobicContact CG1-CG 3.98Å; I6-W79 HydrophobicContact CG2-CB 4.5Å; I6-W79 HydrophobicContact CG2-CD2 4.26Å; I6-W79 HydrophobicContact CG2-CG 3.91Å; P51-W79 HydrophobicContact CB-CD2 3.85Å; P51-W79 HydrophobicContact CB-CE3 3.74Å; P51-W79 HydrophobicContact CB-CH2 3.89Å; P51-W79 HydrophobicContact CB-CZ2 3.97Å; P51-W79 HydrophobicContact CB-CZ3 3.77Å; P51-W79 HydrophobicContact CG-CD2 3.47Å; P51-W79 VanDerWaalsContact CG-CD2 3.47Å; P51-W79 VanDerWaalsContact CG-CE2 3.45Å; P51-W79 HydrophobicContact CG-CE3 3.92Å; P51-W79 HydrophobicContact CG-CG 3.83Å; P51-W79 HydrophobicContact CG-CH2 4.32Å; P51-W79 HydrophobicContact CG-CZ2 3.91Å; P51-W79 HydrophobicContact CG-CZ3 4.32Å; P51-W79 WeakPolarHBondContact O-CA 3.18Å; L53-W79 HydrophobicContact CB-CE3 4.14Å; L53-W79 HydrophobicContact CB-CZ3 4.23Å; N76-W79 HydrophobicContact CB-CB 4.5Å; N76-W79 PolarHBondContact O-N 3.49Å; N76-W79 VanDerWaalsContact O-O 3.1Å
80	E	91.8	Very high	92	Very high	43 Å²	43	62.9 Å²	62.9	20%	0.201	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.8	171.2	178.4	179.5	-148.7	0	0	108.6	P51 R52 L53 L82	P51-E80 PolarHBondContact O-N 3.3Å; R52-E80 CarbonylContact C-O 3.47Å; R52-E80 VanDerWaalsContact CA-O 3.31Å; R52-E80 WeakPolarHBondContact CA-O 3.43Å; R52-E80 HydrophobicContact CG-CB 4.2Å; R52-E80 IonicContact CZ-OE2 2.77Å; R52-E80 IonicContact NE-OE2 2.83Å; R52-E80 PolarHBondContact NE-OE2 2.96Å; R52-E80 IonicContact NH2-OE2 3.49Å; R52-E80 PolarHBondContact NH2-OE2 3.19Å; L53-E80 PolarHBondContact N-O 2.67Å; E80-L82 HydrophobicContact CG-CD2 3.99Å; E80-L82 HydrophobicContact CG-CG 4.28Å
81	V	94.6	Very high	92	Very high	11 Å²	11	60.9 Å²	60.9	7%	0.067	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.6	176.6	-171.5	0	0	0	0	108.9	M2 I6 L53 I55 A69 V72 T73	M2-V81 HydrophobicContact CG-CG1 4.34Å; M2-V81 HydrophobicContact SD-CG1 4.18Å; I6-V81 HydrophobicContact CD1-CG2 3.84Å; L53-V81 HydrophobicContact CB-CG2 4.41Å; L53-V81 HydrophobicContact CD2-CG1 4.43Å; L53-V81 HydrophobicContact CD2-CG2 4.45Å; L53-V81 HydrophobicContact CG-CG1 4.49Å; L53-V81 WeakPolarHBondContact O-CA 3.36Å; I55-V81 HydrophobicContact CD1-CG1 4.04Å; A69-V81 HydrophobicContact CB-CB 4.25Å; A69-V81 HydrophobicContact CB-CG1 3.82Å; V72-V81 HydrophobicContact CB-CG2 4.43Å; V72-V81 HydrophobicContact CG1-CG2 3.99Å; T73-V81 VanDerWaalsContact OG1-CB 3.27Å; T73-V81 WeakPolarHBondContact OG1-CB 3.34Å; T73-V81 WeakPolarHBondContact OG1-CG2 3.32Å; T73-V81 PolarHBondContact OG1-N 3.36Å
82	L	94.7	Very high	91.9	Very high	70 Å²	70	61 Å²	61	37%	0.366	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126	174	-57.3	178.9	0	0	0	108.1	L53 I54 I55 E80	L53-L82 PolarHBondContact O-N 3.42Å; I54-L82 CarbonylContact C-O 3.45Å; I54-L82 WeakPolarHBondContact CA-O 3.36Å; I54-L82 HydrophobicContact CG1-CB 4.42Å; I54-L82 HydrophobicContact CG1-CD1 4.36Å; I55-L82 PolarHBondContact N-O 3.37Å; E80-L82 HydrophobicContact CG-CD2 3.99Å; E80-L82 HydrophobicContact CG-CG 4.28Å
83	I	97.3	Very high	91.7	Very high	40 Å²	40	62.6 Å²	62.6	21%	0.205	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.6	179.5	-170.8	173.3	0	0	0	110	M2 I55 I57 V61 E65 M66 A69	M2-I83 HydrophobicContact CE-CD1 3.81Å; I55-I83 HydrophobicContact CB-CG1 4.27Å; I55-I83 HydrophobicContact CG2-CG1 4.24Å; I55-I83 WeakPolarHBondContact O-CA 3.43Å; I57-I83 HydrophobicContact CD1-CD1 3.93Å; I57-I83 HydrophobicContact CD1-CG1 4.48Å; V61-I83 HydrophobicContact CG2-CD1 3.75Å; V61-I83 HydrophobicContact CG2-CG1 4.08Å; E65-I83 HydrophobicContact CB-CD1 3.92Å; M66-I83 HydrophobicContact CB-CG2 4.44Å; M66-I83 HydrophobicContact CG-CG2 4.32Å; A69-I83 HydrophobicContact CB-CB 4.13Å; A69-I83 HydrophobicContact CB-CG2 3.64Å
84	G	96.4	Very high	91.6	Very high	26 Å²	26	66.6 Å²	66.6	27%	0.268	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	176.5	175.7	0	0	0	0	0	111.4	I55 F56 I57	I55-G84 PolarHBondContact O-N 2.95Å; F56-G84 CarbonylContact C-O 3.57Å; F56-G84 WeakPolarHBondContact CA-O 3.49Å; I57-G84 PolarHBondContact N-O 3.01Å
85	S	96.3	Very high	91.6	Very high	25 Å²	25	64.5 Å²	64.5	18%	0.175	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	-173.5	-179.8	61.8	0	0	0	0	110.1	F56 I57 V61 H87	F56-S85 VanDerWaalsContact CE2-C 3.44Å; F56-S85 WeakPolarHBondContact CE2-O 3.36Å; I57-S85 WeakPolarHBondContact O-CA 3.24Å; I57-S85 WeakPolarHBondContact O-CB 3.27Å; V61-S85 WeakPolarHBondContact CB-OG 3.41Å; V61-S85 WeakPolarHBondContact CG1-OG 3.45Å; V61-S85 PolarHBondContact N-OG 2.98Å; V61-S85 VanDerWaalsContact N-OG 3.12Å; S85-H87 PolarHBondContact OG-N 3.32Å; S85-H87 PolarHBondContact OG-O 3.34Å
86	T	91.9	Very high	91.5	Very high	74 Å²	74	65.1 Å²	65.1	45%	0.454	36%	0.363	S	S	.	.	S	Bend	trans	-62.5	-41.8	168.8	50.1	0	0	0	0	112.7	F56 G60	F56-T86 HydrophobicContact CZ-CG2 4.27Å; G60-T86 PolarHBondContact N-OG1 3.03Å
87	H	91.8	Very high	91.6	Very high	24 Å²	24	63.6 Å²	63.6	11%	0.111	35%	0.354	C	S	.	.	S	Bend	trans	-158.9	160.8	-178.8	57.6	-76.7	0	0	0	111.6	G59 G60 V61 S85 L89 D97 F111	G59-H87 PolarHBondContact O-CE1 3.4Å; G60-H87 CarbonylContact C-O 3.57Å; G60-H87 WeakPolarHBondContact CA-O 3.39Å; V61-H87 PolarHBondContact N-O 3.03Å; S85-H87 PolarHBondContact OG-N 3.32Å; S85-H87 PolarHBondContact OG-O 3.34Å; H87-L89 WeakPolarHBondContact NE2-CD2 3.03Å; H87-D97 IonicContact CD2-OD2 2.71Å; H87-D97 IonicContact CE1-OD2 3.42Å; H87-D97 IonicContact NE2-OD2 3.73Å; H87-D97 PolarHBondContact NE2-OD2 3.26Å; H87-F111 AromaticContact CE1-CD1 3.49Å; H87-F111 VanDerWaalsContact CE1-CD1 3.49Å; H87-F111 WeakPolarHBondContact CE1-CD1 3.32Å; H87-F111 AromaticContact CE1-CE1 3.76Å; H87-F111 AromaticContact CE1-CG 3.86Å
88	I	94.7	Very high	92.1	Very high	99 Å²	99	63.5 Å²	63.5	51%	0.508	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	136	175.8	-60.5	174.4	0	0	0	109.4	V61 L63	V61-I88 HydrophobicContact CG1-CG1 4.23Å; L63-I88 HydrophobicContact CD2-CG2 3.93Å
89	L	94.6	Very high	92.1	Very high	17 Å²	17	65 Å²	65	9%	0.089	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.8	-178.6	-68.5	174	0	0	0	111.7	V61 H87 K93 F94	V61-L89 PolarHBondContact O-N 2.89Å; H87-L89 WeakPolarHBondContact NE2-CD2 3.03Å; L89-K93 HydrophobicContact CD2-CG 4.38Å; L89-F94 HydrophobicContact CD1-CD2 4.04Å; L89-F94 HydrophobicContact CD2-CB 4.25Å
90	T	95.3	Very high	91.5	Very high	67 Å²	67	66.1 Å²	66.1	41%	0.411	35%	0.347	S	S	.	.			trans	-102.9	159	153.6	65.8	0	0	0	0	108.5	T92 K93 F94	T90-T92 PolarHBondContact O-N 3.39Å; T90-K93 PolarHBondContact O-N 3.07Å; T90-K93 VanDerWaalsContact O-N 3.07Å; T90-K93 WeakPolarHBondContact OG1-CB 3.42Å; T90-K93 PolarHBondContact OG1-N 3.25Å; T90-F94 PolarHBondContact O-N 3.48Å
91	P	94.8	Very high	90.4	Very high	108 Å²	108	67.8 Å²	67.8	70%	0.701	36%	0.362	S	S	*	.	H	α-helix	trans	-53.3	-38.9	177.3	-27.8	35.8	0	0	0	112.9	L95	P91-L95 WeakPolarHBondContact O-CG 3.49Å; P91-L95 PolarHBondContact O-N 3Å; P91-L95 VanDerWaalsContact O-N 3.14Å
92	T	93.6	Very high	89.3	Confident	93 Å²	93	69.2 Å²	69.2	57%	0.571	37%	0.369	S	S	*	.	H	α-helix	trans	-66.4	-44.6	177	-48.7	0	0	0	0	112.3	T90 F94 L95 M96	T90-T92 PolarHBondContact O-N 3.39Å; T92-F94 VanDerWaalsContact C-N 3.33Å; T92-F94 PolarHBondContact O-N 2.97Å; T92-L95 PolarHBondContact O-N 2.73Å; T92-M96 HydrophobicContact CG2-SD 4.43Å; T92-M96 WeakPolarHBondContact O-CG 3.14Å; T92-M96 PolarHBondContact O-N 3.23Å
93	K	90.1	Very high	88	Confident	47 Å²	47	71.8 Å²	71.8	20%	0.204	38%	0.378	C	S	.	.	H	α-helix	trans	-62.9	-42	178.5	-173.8	163.3	-177.3	162	0	111.1	L89 T90 L95 M96 D97 D113	L89-K93 HydrophobicContact CD2-CG 4.38Å; T90-K93 PolarHBondContact O-N 3.07Å; T90-K93 VanDerWaalsContact O-N 3.07Å; T90-K93 WeakPolarHBondContact OG1-CB 3.42Å; T90-K93 PolarHBondContact OG1-N 3.25Å; K93-L95 PolarHBondContact O-N 3.33Å; K93-M96 WeakPolarHBondContact O-CB 3.46Å; K93-M96 PolarHBondContact O-N 3.28Å; K93-M96 VanDerWaalsContact O-N 3.07Å; K93-D97 VanDerWaalsContact O-CG 3.25Å; K93-D97 PolarHBondContact O-N 3.08Å; K93-D113 IonicContact NZ-OD1 3.57Å; K93-D113 PolarHBondContact NZ-OD1 3.29Å
94	F	90.9	Very high	86.4	Confident	97 Å²	97	80.2 Å²	80.2	43%	0.425	41%	0.407	S	S	.	.	H	α-helix	trans	-58.5	-44.6	174.7	-179	-111	0	0	0	112.6	L89 T90 T92 M96 D97 L98	L89-F94 HydrophobicContact CD1-CD2 4.04Å; L89-F94 HydrophobicContact CD2-CB 4.25Å; T90-F94 PolarHBondContact O-N 3.48Å; T92-F94 VanDerWaalsContact C-N 3.33Å; T92-F94 PolarHBondContact O-N 2.97Å; F94-M96 VanDerWaalsContact C-N 3.29Å; F94-M96 PolarHBondContact O-N 2.85Å; F94-D97 PolarHBondContact O-N 3.41Å; F94-L98 HydrophobicContact CD1-CD1 3.98Å; F94-L98 HydrophobicContact CE1-CD1 3.46Å; F94-L98 VanDerWaalsContact CE1-CD1 3.46Å; F94-L98 HydrophobicContact CE1-CG 4.27Å; F94-L98 HydrophobicContact CE2-CD1 4.34Å; F94-L98 HydrophobicContact CE2-CD2 4.46Å; F94-L98 HydrophobicContact CE2-CG 4.33Å; F94-L98 HydrophobicContact CZ-CD1 3.67Å; F94-L98 HydrophobicContact CZ-CD2 4.31Å; F94-L98 HydrophobicContact CZ-CG 4.13Å; F94-L98 WeakPolarHBondContact O-CG 3.08Å; F94-L98 PolarHBondContact O-N 3.1Å
95	L	91.4	Very high	84.9	Confident	104 Å²	104	85.8 Å²	85.8	55%	0.545	43%	0.426	S	S	.	.	H	α-helix	trans	-67.7	-27	176	-68.1	175	0	0	0	113.4	P91 T92 K93 R99	P91-L95 WeakPolarHBondContact O-CG 3.49Å; P91-L95 PolarHBondContact O-N 3Å; P91-L95 VanDerWaalsContact O-N 3.14Å; T92-L95 PolarHBondContact O-N 2.73Å; K93-L95 PolarHBondContact O-N 3.33Å; L95-R99 VanDerWaalsContact O-CG 3.27Å; L95-R99 WeakPolarHBondContact O-CG 3.36Å; L95-R99 PolarHBondContact O-N 3.21Å; L95-R99 PolarHBondContact O-NE 3.23Å
96	M	88.1	Confident	83.2	Confident	91 Å²	91	90.3 Å²	90.3	45%	0.448	46%	0.457	S	S	.	.	H	α-helix	trans	-71.2	-47.7	172.1	-75.1	174.1	148.7	0	0	110.9	T92 K93 F94 L98 R99 H100	T92-M96 HydrophobicContact CG2-SD 4.43Å; T92-M96 WeakPolarHBondContact O-CG 3.14Å; T92-M96 PolarHBondContact O-N 3.23Å; K93-M96 WeakPolarHBondContact O-CB 3.46Å; K93-M96 PolarHBondContact O-N 3.28Å; K93-M96 VanDerWaalsContact O-N 3.07Å; F94-M96 VanDerWaalsContact C-N 3.29Å; F94-M96 PolarHBondContact O-N 2.85Å; M96-L98 VanDerWaalsContact C-N 3.27Å; M96-L98 PolarHBondContact O-N 2.74Å; M96-R99 VanDerWaalsContact CG-NH2 3.32Å; M96-R99 PolarHBondContact O-N 3.26Å; M96-H100 PolarHBondContact O-N 3.34Å
97	D	84.4	Confident	81.8	Confident	33 Å²	33	89 Å²	89	18%	0.176	45%	0.452	C	S	.	.	H	α-helix	trans	-57.6	-41.6	178.2	-64.7	-10.1	0	0	0	111	H87 K93 F94 R99 H100	H87-D97 IonicContact CD2-OD2 2.71Å; H87-D97 IonicContact CE1-OD2 3.42Å; H87-D97 IonicContact NE2-OD2 3.73Å; H87-D97 PolarHBondContact NE2-OD2 3.26Å; K93-D97 VanDerWaalsContact O-CG 3.25Å; K93-D97 PolarHBondContact O-N 3.08Å; F94-D97 PolarHBondContact O-N 3.41Å; D97-R99 VanDerWaalsContact C-N 3.32Å; D97-R99 PolarHBondContact O-N 3.43Å; D97-H100 VanDerWaalsContact O-CB 3.3Å; D97-H100 WeakPolarHBondContact O-CB 3.35Å; D97-H100 PolarHBondContact O-N 2.94Å
98	L	86	Confident	80.2	Confident	63 Å²	63	99.2 Å²	99.2	33%	0.33	49%	0.489	S	S	.	.	H	α-helix	trans	-68.7	-26	176.6	-71	-179.8	0	0	0	114.5	F94 M96 H100 F103	F94-L98 HydrophobicContact CD1-CD1 3.98Å; F94-L98 HydrophobicContact CE1-CD1 3.46Å; F94-L98 VanDerWaalsContact CE1-CD1 3.46Å; F94-L98 HydrophobicContact CE1-CG 4.27Å; F94-L98 HydrophobicContact CE2-CD1 4.34Å; F94-L98 HydrophobicContact CE2-CD2 4.46Å; F94-L98 HydrophobicContact CE2-CG 4.33Å; F94-L98 HydrophobicContact CZ-CD1 3.67Å; F94-L98 HydrophobicContact CZ-CD2 4.31Å; F94-L98 HydrophobicContact CZ-CG 4.13Å; F94-L98 WeakPolarHBondContact O-CG 3.08Å; F94-L98 PolarHBondContact O-N 3.1Å; M96-L98 VanDerWaalsContact C-N 3.27Å; M96-L98 PolarHBondContact O-N 2.74Å; L98-H100 VanDerWaalsContact C-N 3.31Å; L98-F103 HydrophobicContact CD2-CD1 4.28Å; L98-F103 HydrophobicContact CD2-CE1 3.77Å; L98-F103 HydrophobicContact CD2-CE2 4.04Å; L98-F103 HydrophobicContact CD2-CZ 3.64Å
99	R	85.2	Confident	78.5	Confident	179 Å²	179	96.8 Å²	96.8	68%	0.675	48%	0.479	S	S	*	.	H	α-helix	trans	-82	-14.5	176.5	-76.6	-175.9	-62.9	165.6	3	112.2	L95 M96 D97	L95-R99 VanDerWaalsContact O-CG 3.27Å; L95-R99 WeakPolarHBondContact O-CG 3.36Å; L95-R99 PolarHBondContact O-N 3.21Å; L95-R99 PolarHBondContact O-NE 3.23Å; M96-R99 VanDerWaalsContact CG-NH2 3.32Å; M96-R99 PolarHBondContact O-N 3.26Å; D97-R99 VanDerWaalsContact C-N 3.32Å; D97-R99 PolarHBondContact O-N 3.43Å
100	H	77.4	Confident	77	Confident	77 Å²	77	99.7 Å²	99.7	36%	0.356	50%	0.501	S	S	.	.	S	Bend	trans	-62.8	130.6	-177.6	-159.6	-81	0	0	0	110.6	M96 D97 L98 D102 F103	M96-H100 PolarHBondContact O-N 3.34Å; D97-H100 VanDerWaalsContact O-CB 3.3Å; D97-H100 WeakPolarHBondContact O-CB 3.35Å; D97-H100 PolarHBondContact O-N 2.94Å; L98-H100 VanDerWaalsContact C-N 3.31Å; H100-D102 IonicContact CE1-OD1 3.12Å; H100-D102 PolarHBondContact CE1-OD1 3.02Å; H100-D102 IonicContact CE1-OD2 3.9Å; H100-D102 PolarHBondContact CE1-OD2 3.32Å; H100-D102 VanDerWaalsContact ND1-CB 3.32Å; H100-D102 WeakPolarHBondContact ND1-CB 3.43Å; H100-D102 VanDerWaalsContact ND1-CG 3.27Å; H100-D102 PolarHBondContact ND1-N 3.24Å; H100-D102 IonicContact ND1-OD1 3.52Å; H100-D102 IonicContact ND1-OD2 2.78Å; H100-D102 PolarHBondContact O-N 3.35Å; H100-F103 VanDerWaalsContact O-CB 3.29Å; H100-F103 WeakPolarHBondContact O-CB 3.29Å; H100-F103 PolarHBondContact O-N 2.85Å
101	P	69.8	Low	75.4	Confident	79 Å²	79	100.7 Å²	100.7	51%	0.513	50%	0.499	S	S	.	.	H	α-helix	trans	-54.7	-39.4	180	-25.7	33.9	0	0	0	113	F103 R104 E105	P101-F103 PolarHBondContact O-N 3.19Å; P101-R104 WeakPolarHBondContact O-CA 3.3Å; P101-R104 WeakPolarHBondContact O-CB 3.49Å; P101-R104 PolarHBondContact O-N 3.02Å; P101-E105 PolarHBondContact O-N 3.19Å
102	D	70.6	Confident	74	Confident	41 Å²	41	103.8 Å²	103.8	22%	0.219	50%	0.504	C	S	.	.	H	α-helix	trans	-59.8	-27.9	178.1	-56.7	3.6	0	0	0	113.5	H100 R104 E105 S106	H100-D102 IonicContact CE1-OD1 3.12Å; H100-D102 PolarHBondContact CE1-OD1 3.02Å; H100-D102 IonicContact CE1-OD2 3.9Å; H100-D102 PolarHBondContact CE1-OD2 3.32Å; H100-D102 VanDerWaalsContact ND1-CB 3.32Å; H100-D102 WeakPolarHBondContact ND1-CB 3.43Å; H100-D102 VanDerWaalsContact ND1-CG 3.27Å; H100-D102 PolarHBondContact ND1-N 3.24Å; H100-D102 IonicContact ND1-OD1 3.52Å; H100-D102 IonicContact ND1-OD2 2.78Å; H100-D102 PolarHBondContact O-N 3.35Å; D102-R104 PolarHBondContact O-N 3.24Å; D102-E105 PolarHBondContact O-N 2.71Å; D102-S106 PolarHBondContact O-N 2.73Å
103	F	67.7	Low	72.4	Confident	124 Å²	124	105.4 Å²	105.4	54%	0.544	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-30.7	173.2	-171.7	-95	0	0	0	111.3	L98 H100 P101	L98-F103 HydrophobicContact CD2-CD1 4.28Å; L98-F103 HydrophobicContact CD2-CE1 3.77Å; L98-F103 HydrophobicContact CD2-CE2 4.04Å; L98-F103 HydrophobicContact CD2-CZ 3.64Å; H100-F103 VanDerWaalsContact O-CB 3.29Å; H100-F103 WeakPolarHBondContact O-CB 3.29Å; H100-F103 PolarHBondContact O-N 2.85Å; P101-F103 PolarHBondContact O-N 3.19Å
104	R	63.9	Low	70.7	Confident	216 Å²	216	111.7 Å²	111.7	82%	0.815	54%	0.54	S	S	*	.	H	α-helix	trans	-84.9	-27	179.7	-51.4	-174.2	84.8	122.1	0.6	112.8	P101 D102	P101-R104 WeakPolarHBondContact O-CA 3.3Å; P101-R104 WeakPolarHBondContact O-CB 3.49Å; P101-R104 PolarHBondContact O-N 3.02Å; D102-R104 PolarHBondContact O-N 3.24Å
105	E	63.5	Low	69	Low	144 Å²	144	111 Å²	111	67%	0.673	55%	0.552	S	S	*	*	H	α-helix	trans	-93.2	-0.8	-174.5	-67.7	-170.3	177.2	0	0	113.9	P101 D102 S107	P101-E105 PolarHBondContact O-N 3.19Å; D102-E105 PolarHBondContact O-N 2.71Å; E105-S107 PolarHBondContact O-N 3.23Å
106	S	62.5	Low	67.4	Low	119 Å²	119	111.6 Å²	111.6	83%	0.832	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.9	18.2	-176.2	-164.3	0	0	0	0	113.3	D102	D102-S106 PolarHBondContact O-N 2.73Å
107	S	61.1	Low	66.1	Low	48 Å²	48	113.7 Å²	113.7	34%	0.336	58%	0.58	S	S	.	*	S	Bend	trans	-80.4	162.5	172.3	57.9	0	0	0	0	109.1	E105 V109	E105-S107 PolarHBondContact O-N 3.23Å; S107-V109 PolarHBondContact O-N 3.42Å
108	R	57.7	Low	64.5	Low	237 Å²	237	121 Å²	121	89%	0.894	62%	0.616	S	S	*	*			trans	-60.9	111	-172.3	-161.9	-175	-168.4	110.8	-0.9	110.1	S110	R108-S110 PolarHBondContact O-N 3.48Å
109	V	60	Low	62.7	Low	49 Å²	49	130.5 Å²	130.5	30%	0.297	66%	0.658	S	S	.	*			trans	-75.4	124.4	-176.9	-160.2	0	0	0	0	110.2	S107 F111	S107-V109 PolarHBondContact O-N 3.42Å; V109-F111 HydrophobicContact CB-CE1 4.2Å; V109-F111 HydrophobicContact CB-CE2 3.84Å; V109-F111 HydrophobicContact CB-CZ 3.64Å; V109-F111 HydrophobicContact CG1-CD1 4.12Å; V109-F111 HydrophobicContact CG1-CE1 3.56Å; V109-F111 HydrophobicContact CG1-CE2 4.08Å; V109-F111 HydrophobicContact CG1-CZ 3.54Å; V109-F111 HydrophobicContact CG2-CZ 4.35Å
110	S	62.7	Low	61.6	Low	78 Å²	78	128.1 Å²	128.1	55%	0.545	66%	0.658	S	S	.	*			trans	-96.9	112.6	175.2	-43.3	0	0	0	0	108.6	R108 E112	R108-S110 PolarHBondContact O-N 3.48Å; S110-E112 VanDerWaalsContact C-N 3.3Å; S110-E112 PolarHBondContact O-N 3.12Å
111	F	62	Low	60.8	Low	87 Å²	87	130.8 Å²	130.8	38%	0.382	67%	0.673	S	S	.	*			trans	-94.9	41.7	-177.1	-59.1	-78.4	0	0	0	112.5	H87 V109	H87-F111 AromaticContact CE1-CD1 3.49Å; H87-F111 VanDerWaalsContact CE1-CD1 3.49Å; H87-F111 WeakPolarHBondContact CE1-CD1 3.32Å; H87-F111 AromaticContact CE1-CE1 3.76Å; H87-F111 AromaticContact CE1-CG 3.86Å; V109-F111 HydrophobicContact CB-CE1 4.2Å; V109-F111 HydrophobicContact CB-CE2 3.84Å; V109-F111 HydrophobicContact CB-CZ 3.64Å; V109-F111 HydrophobicContact CG1-CD1 4.12Å; V109-F111 HydrophobicContact CG1-CE1 3.56Å; V109-F111 HydrophobicContact CG1-CE2 4.08Å; V109-F111 HydrophobicContact CG1-CZ 3.54Å; V109-F111 HydrophobicContact CG2-CZ 4.35Å
112	E	64.6	Low	60.3	Low	173 Å²	173	133.7 Å²	133.7	81%	0.808	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-73.6	138.4	175.4	-74.7	175.9	156.9	0	0	110.2	S110 Q114	S110-E112 VanDerWaalsContact C-N 3.3Å; S110-E112 PolarHBondContact O-N 3.12Å; E112-Q114 PolarHBondContact O-N 3.34Å
113	D	60.5	Low	59.6	Low	128 Å²	128	139.1 Å²	139.1	68%	0.684	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-64.6	124.7	172.3	-84.7	-26	0	0	0	108.7	K93 A115	K93-D113 IonicContact NZ-OD1 3.57Å; K93-D113 PolarHBondContact NZ-OD1 3.29Å; D113-A115 PolarHBondContact O-N 3.09Å; D113-A115 VanDerWaalsContact O-N 3.1Å
114	Q	55.3	Low	59.1	Low	178 Å²	178	140.1 Å²	140.1	83%	0.832	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-55.8	119.7	171.3	-94.5	-176.4	-22	0	0	108.8	E112	E112-Q114 PolarHBondContact O-N 3.34Å
115	A	54.6	Low	58.8	Low	84 Å²	84	135 Å²	135	69%	0.694	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-54.7	140.4	172.2	0	0	0	0	0	109.3	D113 T117	D113-A115 PolarHBondContact O-N 3.09Å; D113-A115 VanDerWaalsContact O-N 3.1Å; A115-T117 PolarHBondContact O-N 3.1Å; A115-T117 VanDerWaalsContact O-N 3.09Å
116	P	58.4	Low	58.5	Low	116 Å²	116	134.4 Å²	134.4	75%	0.753	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-58.3	121.7	176.7	23.8	-31.7	0	0	0	108.7	M118	P116-M118 PolarHBondContact O-N 3.21Å
117	T	60	Low	58.2	Low	135 Å²	135	135.5 Å²	135.5	83%	0.828	71%	0.708	S	S	*	*			trans	-60.1	107	165.4	25.1	0	0	0	0	107.2	A115 E119	A115-T117 PolarHBondContact O-N 3.1Å; A115-T117 VanDerWaalsContact O-N 3.09Å; T117-E119 PolarHBondContact O-N 3Å
118	M	51.9	Low	57.9	Low	187 Å²	187	142.8 Å²	142.8	92%	0.921	74%	0.739	S	S	*	*			trans	-68.2	110.1	167.2	-65.8	-163.2	-121.2	0	0	107	P116	P116-M118 PolarHBondContact O-N 3.21Å
119	E	47.7	Very low	58	Low	262 Å²	262	134.3 Å²	134.3	100%	1.224	73%	0.725	S	S	*	*			trans	-76.1	0	160.4	-76.6	-171.7	153	0	0	110.6	T117	T117-E119 PolarHBondContact O-N 3Å

Retrieved 119 of 119 residues in 44.8 ms (Link to these results)

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