A0A087WQD1_MOUSE Loading...

Non-catalytic region of tyrosine kinase adaptor protein 1

AlphaFold DB , UniProt , Accession A0A087WQD1, Species MOUSE (Mus musculus, Mouse), Gene Nck1, Length 132 aa.

						>A0A087WQD1_MOUSE|A0A087WQD1|Nck1
MAEEVVVVAKFDYVAQQEQELDIKKNERLWLLDDSKSWWRVRNSMNKTGFVPSNYVERKNSARKASIVKNLKDTLGIGKVKRKPSVPDTASPADDSFVDPGERLYDLNMPAFVKFNYMAEREDELSLIKGTK
					

Structure Viewer

Loading PAE data...

(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	37.2	Very low	75	Confident	237 Å²	237	87.9 Å²	87.9	100%	1.167	46%	0.457	S	S	*	.				0	113.3	0	-67.9	171.4	-176.7	0	0	105.6	E3	M1-E3 PolarHBondContact O-N 3.2Å
2	A	46.2	Very low	76.2	Confident	101 Å²	101	89.4 Å²	89.4	84%	0.835	47%	0.466	S	S	*	.			trans	-69.5	116.4	176.9	0	0	0	0	0	107.2	E4	A2-E4 VanDerWaalsContact C-N 3.35Å; A2-E4 PolarHBondContact O-N 3.46Å
3	E	57.6	Low	77	Confident	177 Å²	177	84.8 Å²	84.8	83%	0.827	44%	0.439	S	S	*	.			trans	-64.8	99.8	171.9	-80.5	178.2	76.7	0	0	107.8	M1 V5	M1-E3 PolarHBondContact O-N 3.2Å; E3-V5 VanDerWaalsContact C-N 3.27Å; E3-V5 HydrophobicContact CB-CG2 4.23Å; E3-V5 PolarHBondContact O-N 3.24Å
4	E	69.1	Low	77.8	Confident	146 Å²	146	85.9 Å²	85.9	68%	0.682	45%	0.451	S	S	*	.			trans	-69.4	90.6	168.4	-113	-175.8	57.5	0	0	108	A2 V6 W30	A2-E4 VanDerWaalsContact C-N 3.35Å; A2-E4 PolarHBondContact O-N 3.46Å; E4-V6 PolarHBondContact O-N 3.27Å; E4-W30 PolarHBondContact OE1-NE1 2.95Å
5	V	84	Confident	78.4	Confident	35 Å²	35	82.2 Å²	82.2	21%	0.212	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.1	176.2	179.3	0	0	0	0	108.1	E3 L31 R58	E3-V5 VanDerWaalsContact C-N 3.27Å; E3-V5 HydrophobicContact CB-CG2 4.23Å; E3-V5 PolarHBondContact O-N 3.24Å; V5-L31 HydrophobicContact CB-CB 4.03Å; V5-L31 HydrophobicContact CB-CD2 3.92Å; V5-L31 HydrophobicContact CG1-CB 4.21Å; V5-L31 HydrophobicContact CG1-CD2 3.62Å; V5-L31 WeakPolarHBondContact O-CB 3.31Å; V5-L31 PolarHBondContact O-N 3.34Å; V5-R58 HydrophobicContact CG1-CG 4.04Å
6	V	87.9	Confident	78.9	Confident	48 Å²	48	87.9 Å²	87.9	29%	0.291	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.3	175.3	-178.3	0	0	0	0	109.8	E4 R28 L29 K59	E4-V6 PolarHBondContact O-N 3.27Å; V6-R28 HydrophobicContact CG1-CB 4.25Å; V6-L29 WeakPolarHBondContact CA-O 3.36Å; V6-K59 PolarHBondContact O-N 2.86Å; V6-K59 VanDerWaalsContact O-N 3.1Å
7	V	89.1	Confident	79.3	Confident	0 Å²	0	90.4 Å²	90.4	0%	0	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	152.7	171.8	-64.3	0	0	0	0	110.4	L29 L31 W39 V41 V56 E57 R58	V7-L29 HydrophobicContact CG2-CB 3.89Å; V7-L29 WeakPolarHBondContact CG2-O 3.22Å; V7-L29 PolarHBondContact N-O 2.82Å; V7-L29 PolarHBondContact O-N 2.95Å; V7-L31 HydrophobicContact CG1-CB 4.04Å; V7-L31 HydrophobicContact CG1-CD1 4.31Å; V7-L31 HydrophobicContact CG1-CD2 4.21Å; V7-L31 HydrophobicContact CG1-CG 4.45Å; V7-W39 HydrophobicContact CG1-CE3 4.16Å; V7-W39 HydrophobicContact CG1-CZ3 4.04Å; V7-V41 HydrophobicContact CG2-CG1 3.81Å; V7-V56 HydrophobicContact CB-CB 4.33Å; V7-V56 HydrophobicContact CG2-CB 4.39Å; V7-E57 CarbonylContact C-O 3.52Å; V7-E57 VanDerWaalsContact CA-O 3.32Å; V7-E57 WeakPolarHBondContact CA-O 3.38Å; V7-R58 HydrophobicContact CG1-CB 4.42Å; V7-R58 HydrophobicContact CG1-CG 3.64Å
8	V	90.1	Very high	79.5	Confident	20 Å²	20	97 Å²	97	12%	0.121	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.9	175.9	179.9	0	0	0	0	109.1	K10 E27 R28 V56 E57 K59	V8-K10 PolarHBondContact O-N 3.19Å; V8-E27 VanDerWaalsContact CA-O 3.28Å; V8-E27 WeakPolarHBondContact CA-O 3.36Å; V8-R28 HydrophobicContact CG2-CG 4.17Å; V8-V56 CarbonylContact O-C 3.54Å; V8-V56 WeakPolarHBondContact O-CA 3.47Å; V8-E57 PolarHBondContact N-O 3.29Å; V8-E57 PolarHBondContact O-N 2.99Å; V8-K59 HydrophobicContact CG2-CD 3.61Å; V8-K59 HydrophobicContact CG2-CG 3.74Å
9	A	90.3	Very high	79.9	Confident	1 Å²	1	98.5 Å²	98.5	1%	0.008	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	127.9	173.1	0	0	0	0	0	110.3	I23 K24 N26 E27 Y55 V56	A9-I23 HydrophobicContact CB-CB 4.06Å; A9-I23 HydrophobicContact CB-CD1 3.81Å; A9-I23 HydrophobicContact CB-CG1 4.17Å; A9-K24 WeakPolarHBondContact CB-O 3.27Å; A9-N26 WeakPolarHBondContact O-CA 3.47Å; A9-N26 PolarHBondContact O-N 2.91Å; A9-E27 PolarHBondContact N-O 3.16Å; A9-Y55 CarbonylContact C-O 3.53Å; A9-Y55 WeakPolarHBondContact CA-O 3.15Å; A9-V56 HydrophobicContact CB-CG1 4.45Å
10	K	87.1	Confident	80.4	Confident	89 Å²	89	94.5 Å²	94.5	39%	0.387	48%	0.482	S	S	.	.	S	Bend	trans	-83.1	-29.1	176.4	-78.2	-174.2	154.9	170.6	0	112.6	V8 K25 Y55 E57	V8-K10 PolarHBondContact O-N 3.19Å; K10-K25 WeakPolarHBondContact O-CD 3.4Å; K10-K25 VanDerWaalsContact O-CG 3.3Å; K10-K25 WeakPolarHBondContact O-CG 3.43Å; K10-Y55 PolarHBondContact N-O 2.91Å; K10-E57 HydrophobicContact CD-CB 4.28Å; K10-E57 WeakPolarHBondContact CE-OE2 3.16Å; K10-E57 HydrophobicContact CG-CB 4.23Å; K10-E57 IonicContact NZ-OE1 2.65Å; K10-E57 IonicContact NZ-OE2 2.76Å; K10-E57 PolarHBondContact NZ-OE2 2.74Å
11	F	86.5	Confident	80.8	Confident	113 Å²	113	90.2 Å²	90.2	50%	0.496	46%	0.46	S	S	.	.	S	Bend	trans	-133.1	161.1	-176	-56.3	-77.3	0	0	0	109.6	K25 Y55	F11-K25 PolarHBondContact O-N 2.98Å; F11-Y55 HydrophobicContact CB-CD1 3.83Å; F11-Y55 HydrophobicContact CB-CE1 4.22Å; F11-Y55 HydrophobicContact CD2-CD1 4.29Å; F11-Y55 HydrophobicContact CG-CD1 4.47Å
12	D	89.3	Confident	83.3	Confident	106 Å²	106	82.7 Å²	82.7	57%	0.567	43%	0.425	S	S	*	.			trans	-73.5	136.9	165.2	131.7	-99	0	0	0	108.3	I23	D12-I23 CarbonylContact C-O 3.59Å; D12-I23 WeakPolarHBondContact CA-O 3.27Å
13	Y	86.6	Confident	85.4	Confident	29 Å²	29	78 Å²	78	11%	0.114	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-144.1	127.2	176.6	170.6	-92	0	0	0	108.7	E20 D22 I23 P52 Y55	Y13-E20 PolarHBondContact OH-OE1 2.77Å; Y13-E20 PolarHBondContact OH-OE2 3.09Å; Y13-D22 WeakPolarHBondContact O-CA 3.41Å; Y13-I23 HydrophobicContact CD1-CG1 4.33Å; Y13-I23 HydrophobicContact CG-CG1 4.46Å; Y13-I23 PolarHBondContact N-O 3.1Å; Y13-I23 PolarHBondContact O-N 2.98Å; Y13-P52 HydrophobicContact CE2-CG 4.37Å; Y13-Y55 HydrophobicContact CD2-CD1 4.37Å; Y13-Y55 HydrophobicContact CD2-CE1 4.32Å
14	V	88.9	Confident	86.9	Confident	100 Å²	100	76.1 Å²	76.1	61%	0.606	38%	0.375	S	S	*	.			trans	-96	122.6	178.3	-176.6	0	0	0	0	107.7	Q16	V14-Q16 PolarHBondContact O-N 2.74Å
15	A	86.8	Confident	87.8	Confident	31 Å²	31	76 Å²	76	26%	0.256	37%	0.372	S	S	.	.			trans	-54.9	127	173.1	0	0	0	0	0	110.2	E20	A15-E20 HydrophobicContact CB-CB 3.64Å
16	Q	85.7	Confident	88.1	Confident	173 Å²	173	79.7 Å²	79.7	81%	0.808	39%	0.39	S	S	*	.			trans	-94.3	-26.5	175.3	-70.6	-178.2	-11.7	0	0	111.6	V14 E20	V14-Q16 PolarHBondContact O-N 2.74Å; Q16-E20 WeakPolarHBondContact CA-OE2 3.43Å; Q16-E20 WeakPolarHBondContact CB-OE2 3.4Å; Q16-E20 PolarHBondContact N-OE2 3.01Å
17	Q	85.7	Confident	88.2	Confident	130 Å²	130	79.5 Å²	79.5	61%	0.607	39%	0.386	S	S	*	.	S	Bend	trans	-115.6	155.6	-179.5	-52.3	-169.6	-88.1	0	0	111.2	Q19 E20	Q17-Q19 PolarHBondContact O-N 2.64Å; Q17-Q19 VanDerWaalsContact O-N 3.12Å; Q17-E20 HydrophobicContact CB-CG 4.03Å; Q17-E20 PolarHBondContact N-OE2 2.96Å; Q17-E20 WeakPolarHBondContact O-CB 3.25Å; Q17-E20 PolarHBondContact O-N 2.81Å
18	E	83.4	Confident	88.2	Confident	210 Å²	210	86.4 Å²	86.4	98%	0.981	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.8	178.4	-42.2	-177.6	108.3	0	0	113.2
19	Q	86.6	Confident	88.2	Confident	126 Å²	126	85.4 Å²	85.4	59%	0.589	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-14.4	179.5	-146.6	-173.3	-121.9	0	0	112.4	Q17 G49 F50	Q17-Q19 PolarHBondContact O-N 2.64Å; Q17-Q19 VanDerWaalsContact O-N 3.12Å; Q19-G49 CarbonylContact O-C 3.45Å; Q19-G49 WeakPolarHBondContact O-CA 3.28Å; Q19-F50 HydrophobicContact CB-CD2 4.31Å; Q19-F50 VanDerWaalsContact CD-CE2 3.4Å; Q19-F50 HydrophobicContact CG-CD2 3.58Å; Q19-F50 HydrophobicContact CG-CE2 3.6Å; Q19-F50 VanDerWaalsContact NE2-CD2 3.26Å; Q19-F50 VanDerWaalsContact NE2-CE2 3.26Å; Q19-F50 WeakPolarHBondContact O-CD2 3.41Å; Q19-F50 PolarHBondContact O-N 3.23Å
20	E	90	Very high	88.3	Confident	17 Å²	17	89.5 Å²	89.5	8%	0.079	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-88.3	158.2	-178.9	-66.3	172	143.1	0	0	110.9	Y13 A15 Q16 Q17 W38 F50	Y13-E20 PolarHBondContact OH-OE1 2.77Å; Y13-E20 PolarHBondContact OH-OE2 3.09Å; A15-E20 HydrophobicContact CB-CB 3.64Å; Q16-E20 WeakPolarHBondContact CA-OE2 3.43Å; Q16-E20 WeakPolarHBondContact CB-OE2 3.4Å; Q16-E20 PolarHBondContact N-OE2 3.01Å; Q17-E20 HydrophobicContact CB-CG 4.03Å; Q17-E20 PolarHBondContact N-OE2 2.96Å; Q17-E20 WeakPolarHBondContact O-CB 3.25Å; Q17-E20 PolarHBondContact O-N 2.81Å; E20-W38 HydrophobicContact CG-CZ3 4.05Å; E20-W38 WeakPolarHBondContact OE1-CH2 3.28Å; E20-W38 WeakPolarHBondContact OE1-CZ3 3.11Å; E20-F50 WeakPolarHBondContact CA-O 3.42Å
21	L	88.2	Confident	88.4	Confident	5 Å²	5	86 Å²	86	3%	0.026	41%	0.407	C	S	.	.			trans	-114.2	130.9	176.8	-168.6	73.9	0	0	0	109.8	I23 L29 V41 N43 K47 F50 V51	L21-I23 HydrophobicContact CD2-CG2 4.42Å; L21-L29 HydrophobicContact CD2-CD2 4.05Å; L21-V41 HydrophobicContact CB-CG2 4.49Å; L21-V41 HydrophobicContact CD2-CG2 3.82Å; L21-N43 HydrophobicContact CD2-CB 4.1Å; L21-K47 HydrophobicContact CD1-CB 3.64Å; L21-F50 PolarHBondContact N-O 3.13Å; L21-V51 HydrophobicContact CB-CG1 4.18Å
22	D	90.1	Very high	88.5	Confident	80 Å²	80	84.6 Å²	84.6	43%	0.428	41%	0.405	S	S	.	.			trans	-68	131.8	168.8	63.5	-75.8	0	0	0	109.7	Y13	Y13-D22 WeakPolarHBondContact O-CA 3.41Å
23	I	89.8	Confident	88.3	Confident	1 Å²	1	82.9 Å²	82.9	1%	0.005	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-129.6	138.9	-178.6	60.5	173.7	0	0	0	109.1	A9 D12 Y13 L21 L29 V51 V56	A9-I23 HydrophobicContact CB-CB 4.06Å; A9-I23 HydrophobicContact CB-CD1 3.81Å; A9-I23 HydrophobicContact CB-CG1 4.17Å; D12-I23 CarbonylContact C-O 3.59Å; D12-I23 WeakPolarHBondContact CA-O 3.27Å; Y13-I23 HydrophobicContact CD1-CG1 4.33Å; Y13-I23 HydrophobicContact CG-CG1 4.46Å; Y13-I23 PolarHBondContact N-O 3.1Å; Y13-I23 PolarHBondContact O-N 2.98Å; L21-I23 HydrophobicContact CD2-CG2 4.42Å; I23-L29 HydrophobicContact CB-CD1 4.05Å; I23-L29 HydrophobicContact CG2-CD1 3.32Å; I23-L29 HydrophobicContact CG2-CD2 4.38Å; I23-L29 HydrophobicContact CG2-CG 4.45Å; I23-V51 HydrophobicContact CD1-CB 4.36Å; I23-V51 HydrophobicContact CD1-CG1 4.23Å; I23-V51 HydrophobicContact CG2-CG1 3.7Å; I23-V56 HydrophobicContact CD1-CG1 3.77Å
24	K	89.5	Confident	88.3	Confident	138 Å²	138	84.7 Å²	84.7	60%	0.6	41%	0.407	S	S	*	.			trans	-97.8	149.2	170.8	-65.3	-174.5	173.2	-175.9	0	111.1	A9 N26 E27	A9-K24 WeakPolarHBondContact CB-O 3.27Å; K24-N26 PolarHBondContact O-N 2.74Å; K24-E27 HydrophobicContact CB-CB 4.36Å; K24-E27 WeakPolarHBondContact CB-OE2 3Å; K24-E27 PolarHBondContact N-OE2 3.05Å; K24-E27 WeakPolarHBondContact O-CB 3.38Å; K24-E27 PolarHBondContact O-N 2.92Å
25	K	89.3	Confident	87.9	Confident	143 Å²	143	84.7 Å²	84.7	62%	0.622	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	134.1	168.9	174.1	170	-179.7	-173.9	0	110.3	K10 F11 E27	K10-K25 WeakPolarHBondContact O-CD 3.4Å; K10-K25 VanDerWaalsContact O-CG 3.3Å; K10-K25 WeakPolarHBondContact O-CG 3.43Å; F11-K25 PolarHBondContact O-N 2.98Å; K25-E27 PolarHBondContact O-N 3.39Å
26	N	89.1	Confident	87.7	Confident	113 Å²	113	90.7 Å²	90.7	60%	0.604	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	11.9	179.6	-133	83.1	0	0	0	115	A9 K24	A9-N26 WeakPolarHBondContact O-CA 3.47Å; A9-N26 PolarHBondContact O-N 2.91Å; K24-N26 PolarHBondContact O-N 2.74Å
27	E	89.5	Confident	87.6	Confident	45 Å²	45	86.8 Å²	86.8	21%	0.21	42%	0.424	C	S	.	.			trans	-77.9	142.7	174.5	-165.9	161.8	142.6	0	0	111.5	V8 A9 K24 K25 L29 N43	V8-E27 VanDerWaalsContact CA-O 3.28Å; V8-E27 WeakPolarHBondContact CA-O 3.36Å; A9-E27 PolarHBondContact N-O 3.16Å; K24-E27 HydrophobicContact CB-CB 4.36Å; K24-E27 WeakPolarHBondContact CB-OE2 3Å; K24-E27 PolarHBondContact N-OE2 3.05Å; K24-E27 WeakPolarHBondContact O-CB 3.38Å; K24-E27 PolarHBondContact O-N 2.92Å; K25-E27 PolarHBondContact O-N 3.39Å; E27-L29 HydrophobicContact CG-CD2 4.39Å; E27-N43 VanDerWaalsContact OE1-CG 3.29Å; E27-N43 PolarHBondContact OE1-ND2 3.4Å; E27-N43 PolarHBondContact OE1-OD1 2.92Å
28	R	90.3	Very high	87.8	Confident	144 Å²	144	85.6 Å²	85.6	54%	0.543	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.2	-179.1	-71.8	176.4	-100.5	-86.2	12.5	109	V6 V8	V6-R28 HydrophobicContact CG1-CB 4.25Å; V8-R28 HydrophobicContact CG2-CG 4.17Å
29	L	90.3	Very high	88.1	Confident	0 Å²	0	77 Å²	77	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.7	-178	-53.5	156.2	0	0	0	108.9	V6 V7 L21 I23 E27 V41 R42 N43	V6-L29 WeakPolarHBondContact CA-O 3.36Å; V7-L29 HydrophobicContact CG2-CB 3.89Å; V7-L29 WeakPolarHBondContact CG2-O 3.22Å; V7-L29 PolarHBondContact N-O 2.82Å; V7-L29 PolarHBondContact O-N 2.95Å; L21-L29 HydrophobicContact CD2-CD2 4.05Å; I23-L29 HydrophobicContact CB-CD1 4.05Å; I23-L29 HydrophobicContact CG2-CD1 3.32Å; I23-L29 HydrophobicContact CG2-CD2 4.38Å; I23-L29 HydrophobicContact CG2-CG 4.45Å; E27-L29 HydrophobicContact CG-CD2 4.39Å; L29-V41 HydrophobicContact CB-CB 4.09Å; L29-V41 HydrophobicContact CD1-CG2 4.2Å; L29-R42 WeakPolarHBondContact CA-O 3.27Å; L29-N43 HydrophobicContact CD2-CB 4.02Å
30	W	91.2	Very high	88.3	Confident	86 Å²	86	76 Å²	76	33%	0.326	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.4	174.6	-70	-92.3	0	0	0	108.9	E4 L32 V41 R42	E4-W30 PolarHBondContact OE1-NE1 2.95Å; W30-L32 VanDerWaalsContact O-CD1 3.32Å; W30-L32 WeakPolarHBondContact O-CD1 3.45Å; W30-V41 CarbonylContact O-C 3.59Å; W30-V41 WeakPolarHBondContact O-CA 3.45Å; W30-R42 HydrophobicContact CB-CB 4.3Å; W30-R42 PolarHBondContact N-O 2.65Å; W30-R42 PolarHBondContact O-N 2.76Å
31	L	89.5	Confident	88.4	Confident	16 Å²	16	75.2 Å²	75.2	8%	0.084	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.5	174	-175.6	67.8	0	0	0	109	V5 V7 D34 W39 V41 R58	V5-L31 HydrophobicContact CB-CB 4.03Å; V5-L31 HydrophobicContact CB-CD2 3.92Å; V5-L31 HydrophobicContact CG1-CB 4.21Å; V5-L31 HydrophobicContact CG1-CD2 3.62Å; V5-L31 WeakPolarHBondContact O-CB 3.31Å; V5-L31 PolarHBondContact O-N 3.34Å; V7-L31 HydrophobicContact CG1-CB 4.04Å; V7-L31 HydrophobicContact CG1-CD1 4.31Å; V7-L31 HydrophobicContact CG1-CD2 4.21Å; V7-L31 HydrophobicContact CG1-CG 4.45Å; L31-D34 HydrophobicContact CD1-CB 4.19Å; L31-D34 HydrophobicContact CD2-CB 3.94Å; L31-D34 HydrophobicContact CG-CB 4.4Å; L31-W39 HydrophobicContact CD1-CB 3.69Å; L31-W39 HydrophobicContact CD1-CD2 4Å; L31-W39 HydrophobicContact CD1-CE3 3.83Å; L31-W39 HydrophobicContact CD1-CG 3.99Å; L31-V41 HydrophobicContact CD1-CG1 4.12Å; L31-R58 HydrophobicContact CD2-CG 4.36Å
32	L	88.8	Confident	88.5	Confident	84 Å²	84	79.5 Å²	79.5	44%	0.44	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-40.5	175.8	-81.3	77.4	0	0	0	111.1	W30 R40 R42 T48	W30-L32 VanDerWaalsContact O-CD1 3.32Å; W30-L32 WeakPolarHBondContact O-CD1 3.45Å; L32-R40 HydrophobicContact CB-CB 4.32Å; L32-R40 HydrophobicContact CB-CG 4.34Å; L32-R40 PolarHBondContact N-O 3.28Å; L32-R42 HydrophobicContact CD1-CB 3.36Å; L32-T48 HydrophobicContact CD2-CG2 4.08Å
33	D	85.9	Confident	88.5	Confident	69 Å²	69	76.7 Å²	76.7	37%	0.369	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	121.6	-177.4	-158.5	-71.9	0	0	0	110.8	S35 W39 R40	D33-S35 WeakPolarHBondContact OD1-CB 3.42Å; D33-S35 PolarHBondContact OD1-N 3.45Å; D33-S35 PolarHBondContact OD1-OG 3.17Å; D33-W39 CarbonylContact O-C 3.59Å; D33-W39 VanDerWaalsContact O-CA 3.27Å; D33-W39 WeakPolarHBondContact O-CA 3.11Å; D33-R40 HydrophobicContact CB-CB 3.86Å; D33-R40 PolarHBondContact N-O 2.97Å; D33-R40 PolarHBondContact O-N 3.16Å
34	D	86.1	Confident	88.3	Confident	67 Å²	67	80.8 Å²	80.8	36%	0.358	39%	0.389	S	S	.	.			trans	-111.7	18.2	171.9	63.5	-56.3	0	0	0	114.2	L31 K36 W39 R58	L31-D34 HydrophobicContact CD1-CB 4.19Å; L31-D34 HydrophobicContact CD2-CB 3.94Å; L31-D34 HydrophobicContact CG-CB 4.4Å; D34-K36 PolarHBondContact O-N 3.07Å; D34-K36 VanDerWaalsContact O-N 3.13Å; D34-W39 HydrophobicContact CB-CD2 3.95Å; D34-W39 HydrophobicContact CB-CG 4.01Å; D34-W39 HydrophobicContact CB-CZ2 4.24Å; D34-R58 IonicContact OD2-CZ 3.95Å; D34-R58 IonicContact OD2-NH1 3.47Å; D34-R58 PolarHBondContact OD2-NH1 3.39Å
35	S	79.9	Confident	88.1	Confident	101 Å²	101	81 Å²	81	71%	0.706	39%	0.394	S	S	*	.	S	Bend	trans	-68.3	-14.7	-175.5	-53.2	0	0	0	0	113.6	D33	D33-S35 WeakPolarHBondContact OD1-CB 3.42Å; D33-S35 PolarHBondContact OD1-N 3.45Å; D33-S35 PolarHBondContact OD1-OG 3.17Å
36	K	82.1	Confident	88	Confident	156 Å²	156	79.3 Å²	79.3	68%	0.678	39%	0.391	S	S	*	.	S	Bend	trans	-125.6	173.3	-174.8	-62.2	-176	-178.8	-178.9	0	111.4	D34 W38 W39	D34-K36 PolarHBondContact O-N 3.07Å; D34-K36 VanDerWaalsContact O-N 3.13Å; K36-W38 PolarHBondContact O-N 3.03Å; K36-W39 PolarHBondContact O-NE1 3.12Å
37	S	84.8	Confident	87.9	Confident	92 Å²	92	79.7 Å²	79.7	64%	0.643	39%	0.388	S	S	*	.	S	Bend	trans	-60.7	-26.2	172.9	-55.1	0	0	0	0	113.3	S53	S37-S53 WeakPolarHBondContact O-CB 3.01Å; S37-S53 PolarHBondContact O-N 3.04Å; S37-S53 PolarHBondContact O-OG 3.39Å
38	W	89.3	Confident	88	Confident	105 Å²	105	80.5 Å²	80.5	40%	0.398	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.1	174.6	-70.9	77.3	0	0	0	109.2	E20 K36 F50 P52	E20-W38 HydrophobicContact CG-CZ3 4.05Å; E20-W38 WeakPolarHBondContact OE1-CH2 3.28Å; E20-W38 WeakPolarHBondContact OE1-CZ3 3.11Å; K36-W38 PolarHBondContact O-N 3.03Å; W38-F50 HydrophobicContact CB-CB 4.41Å; W38-F50 HydrophobicContact CB-CD1 4.31Å; W38-F50 HydrophobicContact CE3-CB 4.09Å; W38-P52 HydrophobicContact CZ3-CB 4.47Å; W38-P52 HydrophobicContact CZ3-CG 4.4Å
39	W	90.4	Very high	88.1	Confident	29 Å²	29	73.7 Å²	73.7	11%	0.11	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132.7	-177.5	-69.7	-0.7	0	0	0	109.8	V7 L31 D33 D34 K36 F50 V51 S53 V56 R58	V7-W39 HydrophobicContact CG1-CE3 4.16Å; V7-W39 HydrophobicContact CG1-CZ3 4.04Å; L31-W39 HydrophobicContact CD1-CB 3.69Å; L31-W39 HydrophobicContact CD1-CD2 4Å; L31-W39 HydrophobicContact CD1-CE3 3.83Å; L31-W39 HydrophobicContact CD1-CG 3.99Å; D33-W39 CarbonylContact O-C 3.59Å; D33-W39 VanDerWaalsContact O-CA 3.27Å; D33-W39 WeakPolarHBondContact O-CA 3.11Å; D34-W39 HydrophobicContact CB-CD2 3.95Å; D34-W39 HydrophobicContact CB-CG 4.01Å; D34-W39 HydrophobicContact CB-CZ2 4.24Å; K36-W39 PolarHBondContact O-NE1 3.12Å; W39-F50 CarbonylContact O-C 3.59Å; W39-F50 WeakPolarHBondContact O-CA 3.43Å; W39-V51 HydrophobicContact CB-CG2 4.43Å; W39-V51 PolarHBondContact N-O 2.91Å; W39-V51 PolarHBondContact O-N 2.98Å; W39-S53 VanDerWaalsContact CE2-CB 3.47Å; W39-V56 HydrophobicContact CD2-CG2 4.39Å; W39-V56 HydrophobicContact CE3-CG2 3.53Å; W39-V56 HydrophobicContact CZ3-CG2 3.91Å; W39-R58 HydrophobicContact CH2-CG 3.9Å; W39-R58 HydrophobicContact CZ3-CG 3.71Å
40	R	90.4	Very high	88.1	Confident	105 Å²	105	76 Å²	76	40%	0.396	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.3	172.3	-165.2	176.8	-177	179.3	1.2	108.2	L32 D33 G49 F50	L32-R40 HydrophobicContact CB-CB 4.32Å; L32-R40 HydrophobicContact CB-CG 4.34Å; L32-R40 PolarHBondContact N-O 3.28Å; D33-R40 HydrophobicContact CB-CB 3.86Å; D33-R40 PolarHBondContact N-O 2.97Å; D33-R40 PolarHBondContact O-N 3.16Å; R40-G49 WeakPolarHBondContact CA-O 3.47Å; R40-F50 HydrophobicContact CB-CD1 4.04Å; R40-F50 HydrophobicContact CB-CE1 3.77Å; R40-F50 HydrophobicContact CB-CZ 4.31Å; R40-F50 HydrophobicContact CG-CD1 4.48Å; R40-F50 HydrophobicContact CG-CE1 4.14Å; R40-F50 HydrophobicContact CG-CZ 4.19Å
41	V	91.5	Very high	88	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	161.5	-179.1	-63.9	0	0	0	0	111	V7 L21 L29 W30 L31 T48 G49 V51	V7-V41 HydrophobicContact CG2-CG1 3.81Å; L21-V41 HydrophobicContact CB-CG2 4.49Å; L21-V41 HydrophobicContact CD2-CG2 3.82Å; L29-V41 HydrophobicContact CB-CB 4.09Å; L29-V41 HydrophobicContact CD1-CG2 4.2Å; W30-V41 CarbonylContact O-C 3.59Å; W30-V41 WeakPolarHBondContact O-CA 3.45Å; L31-V41 HydrophobicContact CD1-CG1 4.12Å; V41-T48 CarbonylContact O-C 3.58Å; V41-T48 WeakPolarHBondContact O-CA 3.49Å; V41-G49 PolarHBondContact N-O 3.26Å; V41-G49 PolarHBondContact O-N 3.1Å; V41-V51 HydrophobicContact CB-CG2 4.26Å; V41-V51 HydrophobicContact CG1-CG2 3.63Å; V41-V51 HydrophobicContact CG2-CB 4.23Å; V41-V51 HydrophobicContact CG2-CG1 3.6Å; V41-V51 HydrophobicContact CG2-CG2 3.58Å
42	R	91.1	Very high	87.9	Confident	96 Å²	96	72 Å²	72	36%	0.362	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.8	174.5	-175.1	178.7	-176.1	-172.9	1	110.1	L29 W30 L32 N46 K47 T48	L29-R42 WeakPolarHBondContact CA-O 3.27Å; W30-R42 HydrophobicContact CB-CB 4.3Å; W30-R42 PolarHBondContact N-O 2.65Å; W30-R42 PolarHBondContact O-N 2.76Å; L32-R42 HydrophobicContact CD1-CB 3.36Å; R42-N46 PolarHBondContact NH2-ND2 3.3Å; R42-N46 PolarHBondContact NH2-OD1 2.79Å; R42-K47 CarbonylContact C-O 3.51Å; R42-K47 VanDerWaalsContact CA-O 3.27Å; R42-K47 WeakPolarHBondContact CA-O 3.32Å; R42-T48 HydrophobicContact CB-CG2 3.94Å; R42-T48 HydrophobicContact CG-CG2 3.91Å
43	N	89.7	Confident	87.7	Confident	20 Å²	20	70 Å²	70	11%	0.107	36%	0.36	C	S	.	.			trans	-85.5	167.9	172.6	-152.8	-30.9	0	0	0	111.4	L21 E27 L29 M45 N46 K47	L21-N43 HydrophobicContact CD2-CB 4.1Å; E27-N43 VanDerWaalsContact OE1-CG 3.29Å; E27-N43 PolarHBondContact OE1-ND2 3.4Å; E27-N43 PolarHBondContact OE1-OD1 2.92Å; L29-N43 HydrophobicContact CD2-CB 4.02Å; N43-M45 PolarHBondContact O-N 3.38Å; N43-N46 WeakPolarHBondContact O-CA 3.3Å; N43-N46 PolarHBondContact O-N 2.8Å; N43-K47 PolarHBondContact N-O 3.44Å
44	S	86.2	Confident	87.9	Confident	87 Å²	87	73.1 Å²	73.1	61%	0.608	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.6	170.3	-170.3	0	0	0	0	112.8	N46	S44-N46 PolarHBondContact O-N 2.86Å
45	M	85.6	Confident	87.9	Confident	144 Å²	144	74.2 Å²	74.2	71%	0.709	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	14.2	172.3	-56.4	-167.5	86.7	0	0	113.1	N43 K47	N43-M45 PolarHBondContact O-N 3.38Å; M45-K47 HydrophobicContact CB-CG 4.42Å; M45-K47 PolarHBondContact O-N 2.85Å
46	N	86.6	Confident	88.3	Confident	106 Å²	106	69.8 Å²	69.8	57%	0.567	35%	0.345	S	S	*	.	S	Bend	trans	59.5	3.2	-173.3	-74.1	17.2	0	0	0	116.2	R42 N43 S44 T48	R42-N46 PolarHBondContact NH2-ND2 3.3Å; R42-N46 PolarHBondContact NH2-OD1 2.79Å; N43-N46 WeakPolarHBondContact O-CA 3.3Å; N43-N46 PolarHBondContact O-N 2.8Å; S44-N46 PolarHBondContact O-N 2.86Å; N46-T48 PolarHBondContact O-N 2.8Å
47	K	87.4	Confident	88.4	Confident	122 Å²	122	67.1 Å²	67.1	53%	0.53	34%	0.335	S	S	.	.			trans	-68.5	131	174	-67.4	-173.3	177.2	-176.8	0	110	L21 R42 N43 M45	L21-K47 HydrophobicContact CD1-CB 3.64Å; R42-K47 CarbonylContact C-O 3.51Å; R42-K47 VanDerWaalsContact CA-O 3.27Å; R42-K47 WeakPolarHBondContact CA-O 3.32Å; N43-K47 PolarHBondContact N-O 3.44Å; M45-K47 HydrophobicContact CB-CG 4.42Å; M45-K47 PolarHBondContact O-N 2.85Å
48	T	90.9	Very high	88.3	Confident	61 Å²	61	67 Å²	67	37%	0.374	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.9	174.1	59.6	0	0	0	0	110.2	L32 V41 R42 N46	L32-T48 HydrophobicContact CD2-CG2 4.08Å; V41-T48 CarbonylContact O-C 3.58Å; V41-T48 WeakPolarHBondContact O-CA 3.49Å; R42-T48 HydrophobicContact CB-CG2 3.94Å; R42-T48 HydrophobicContact CG-CG2 3.91Å; N46-T48 PolarHBondContact O-N 2.8Å
49	G	91.8	Very high	87.5	Confident	2 Å²	2	68.4 Å²	68.4	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	-179.9	168.2	0	0	0	0	0	111.4	Q19 R40 V41	Q19-G49 CarbonylContact O-C 3.45Å; Q19-G49 WeakPolarHBondContact O-CA 3.28Å; R40-G49 WeakPolarHBondContact CA-O 3.47Å; V41-G49 PolarHBondContact N-O 3.26Å; V41-G49 PolarHBondContact O-N 3.1Å
50	F	90.6	Very high	86.1	Confident	48 Å²	48	73.9 Å²	73.9	21%	0.211	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	140.7	176.9	-66.5	-88.9	0	0	0	110.5	Q19 E20 L21 W38 W39 R40	Q19-F50 HydrophobicContact CB-CD2 4.31Å; Q19-F50 VanDerWaalsContact CD-CE2 3.4Å; Q19-F50 HydrophobicContact CG-CD2 3.58Å; Q19-F50 HydrophobicContact CG-CE2 3.6Å; Q19-F50 VanDerWaalsContact NE2-CD2 3.26Å; Q19-F50 VanDerWaalsContact NE2-CE2 3.26Å; Q19-F50 WeakPolarHBondContact O-CD2 3.41Å; Q19-F50 PolarHBondContact O-N 3.23Å; E20-F50 WeakPolarHBondContact CA-O 3.42Å; L21-F50 PolarHBondContact N-O 3.13Å; W38-F50 HydrophobicContact CB-CB 4.41Å; W38-F50 HydrophobicContact CB-CD1 4.31Å; W38-F50 HydrophobicContact CE3-CB 4.09Å; W39-F50 CarbonylContact O-C 3.59Å; W39-F50 WeakPolarHBondContact O-CA 3.43Å; R40-F50 HydrophobicContact CB-CD1 4.04Å; R40-F50 HydrophobicContact CB-CE1 3.77Å; R40-F50 HydrophobicContact CB-CZ 4.31Å; R40-F50 HydrophobicContact CG-CD1 4.48Å; R40-F50 HydrophobicContact CG-CE1 4.14Å; R40-F50 HydrophobicContact CG-CZ 4.19Å
51	V	89.6	Confident	84.3	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143.4	175	-62.2	0	0	0	0	109.5	L21 I23 W39 V41 S53 V56	L21-V51 HydrophobicContact CB-CG1 4.18Å; I23-V51 HydrophobicContact CD1-CB 4.36Å; I23-V51 HydrophobicContact CD1-CG1 4.23Å; I23-V51 HydrophobicContact CG2-CG1 3.7Å; W39-V51 HydrophobicContact CB-CG2 4.43Å; W39-V51 PolarHBondContact N-O 2.91Å; W39-V51 PolarHBondContact O-N 2.98Å; V41-V51 HydrophobicContact CB-CG2 4.26Å; V41-V51 HydrophobicContact CG1-CG2 3.63Å; V41-V51 HydrophobicContact CG2-CB 4.23Å; V41-V51 HydrophobicContact CG2-CG1 3.6Å; V41-V51 HydrophobicContact CG2-CG2 3.58Å; V51-S53 PolarHBondContact O-N 2.96Å; V51-V56 HydrophobicContact CB-CG1 4.42Å; V51-V56 HydrophobicContact CG2-CG1 3.79Å; V51-V56 HydrophobicContact CG2-CG2 4.04Å
52	P	87.6	Confident	82.4	Confident	19 Å²	19	75 Å²	75	12%	0.123	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.9	176.3	24.5	-30.6	0	0	0	110.1	Y13 W38 N54 Y55	Y13-P52 HydrophobicContact CE2-CG 4.37Å; W38-P52 HydrophobicContact CZ3-CB 4.47Å; W38-P52 HydrophobicContact CZ3-CG 4.4Å; P52-N54 PolarHBondContact O-N 3.35Å; P52-Y55 HydrophobicContact CB-CD2 4.01Å; P52-Y55 HydrophobicContact CG-CD2 3.49Å; P52-Y55 VanDerWaalsContact CG-CD2 3.49Å; P52-Y55 HydrophobicContact CG-CE2 4.16Å; P52-Y55 HydrophobicContact CG-CG 3.94Å; P52-Y55 PolarHBondContact O-N 3.43Å
53	S	85.3	Confident	80.6	Confident	42 Å²	42	81.5 Å²	81.5	29%	0.294	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-58.1	-22.1	-180	56.4	0	0	0	0	114	S37 W39 V51 Y55 V56	S37-S53 WeakPolarHBondContact O-CB 3.01Å; S37-S53 PolarHBondContact O-N 3.04Å; S37-S53 PolarHBondContact O-OG 3.39Å; W39-S53 VanDerWaalsContact CE2-CB 3.47Å; V51-S53 PolarHBondContact O-N 2.96Å; S53-Y55 PolarHBondContact O-N 2.93Å; S53-V56 PolarHBondContact O-N 3.21Å
54	N	88.3	Confident	78.6	Confident	133 Å²	133	89 Å²	89	71%	0.711	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-68.5	-24.5	176.6	-152.7	2	0	0	0	112.8	P52	P52-N54 PolarHBondContact O-N 3.35Å
55	Y	87.3	Confident	76.9	Confident	91 Å²	91	88 Å²	88	36%	0.357	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-94.5	-8.5	-177.7	-74.5	-111.4	0	0	0	112.8	A9 K10 F11 Y13 P52 S53	A9-Y55 CarbonylContact C-O 3.53Å; A9-Y55 WeakPolarHBondContact CA-O 3.15Å; K10-Y55 PolarHBondContact N-O 2.91Å; F11-Y55 HydrophobicContact CB-CD1 3.83Å; F11-Y55 HydrophobicContact CB-CE1 4.22Å; F11-Y55 HydrophobicContact CD2-CD1 4.29Å; F11-Y55 HydrophobicContact CG-CD1 4.47Å; Y13-Y55 HydrophobicContact CD2-CD1 4.37Å; Y13-Y55 HydrophobicContact CD2-CE1 4.32Å; P52-Y55 HydrophobicContact CB-CD2 4.01Å; P52-Y55 HydrophobicContact CG-CD2 3.49Å; P52-Y55 VanDerWaalsContact CG-CD2 3.49Å; P52-Y55 HydrophobicContact CG-CE2 4.16Å; P52-Y55 HydrophobicContact CG-CG 3.94Å; P52-Y55 PolarHBondContact O-N 3.43Å; S53-Y55 PolarHBondContact O-N 2.93Å
56	V	87.6	Confident	75	Confident	7 Å²	7	85.7 Å²	85.7	4%	0.042	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.8	-177	-65.9	0	0	0	0	111.5	V7 V8 A9 I23 W39 V51 S53	V7-V56 HydrophobicContact CB-CB 4.33Å; V7-V56 HydrophobicContact CG2-CB 4.39Å; V8-V56 CarbonylContact O-C 3.54Å; V8-V56 WeakPolarHBondContact O-CA 3.47Å; A9-V56 HydrophobicContact CB-CG1 4.45Å; I23-V56 HydrophobicContact CD1-CG1 3.77Å; W39-V56 HydrophobicContact CD2-CG2 4.39Å; W39-V56 HydrophobicContact CE3-CG2 3.53Å; W39-V56 HydrophobicContact CZ3-CG2 3.91Å; V51-V56 HydrophobicContact CB-CG1 4.42Å; V51-V56 HydrophobicContact CG2-CG1 3.79Å; V51-V56 HydrophobicContact CG2-CG2 4.04Å; S53-V56 PolarHBondContact O-N 3.21Å
57	E	84.3	Confident	73.6	Confident	100 Å²	100	87.9 Å²	87.9	47%	0.467	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.8	178.9	-175.3	165.8	76.4	0	0	110.7	V7 V8 K10 K59	V7-E57 CarbonylContact C-O 3.52Å; V7-E57 VanDerWaalsContact CA-O 3.32Å; V7-E57 WeakPolarHBondContact CA-O 3.38Å; V8-E57 PolarHBondContact N-O 3.29Å; V8-E57 PolarHBondContact O-N 2.99Å; K10-E57 HydrophobicContact CD-CB 4.28Å; K10-E57 WeakPolarHBondContact CE-OE2 3.16Å; K10-E57 HydrophobicContact CG-CB 4.23Å; K10-E57 IonicContact NZ-OE1 2.65Å; K10-E57 IonicContact NZ-OE2 2.76Å; K10-E57 PolarHBondContact NZ-OE2 2.74Å; E57-K59 PolarHBondContact O-N 3.45Å
58	R	84.2	Confident	72.2	Confident	90 Å²	90	88 Å²	88	34%	0.34	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	120.5	172.6	-77.7	-174.3	-71.4	-164.3	-9.4	109.6	V5 V7 L31 D34 W39 N60 S61	V5-R58 HydrophobicContact CG1-CG 4.04Å; V7-R58 HydrophobicContact CG1-CB 4.42Å; V7-R58 HydrophobicContact CG1-CG 3.64Å; L31-R58 HydrophobicContact CD2-CG 4.36Å; D34-R58 IonicContact OD2-CZ 3.95Å; D34-R58 IonicContact OD2-NH1 3.47Å; D34-R58 PolarHBondContact OD2-NH1 3.39Å; W39-R58 HydrophobicContact CH2-CG 3.9Å; W39-R58 HydrophobicContact CZ3-CG 3.71Å; R58-N60 PolarHBondContact O-N 2.92Å; R58-N60 VanDerWaalsContact O-N 3.16Å; R58-S61 WeakPolarHBondContact O-CB 3.47Å; R58-S61 PolarHBondContact O-N 2.97Å
59	K	71.3	Confident	70.4	Confident	134 Å²	134	92.5 Å²	92.5	58%	0.583	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.4	175.5	-104.9	-174.1	164.7	-174.5	0	113.6	V6 V8 E57	V6-K59 PolarHBondContact O-N 2.86Å; V6-K59 VanDerWaalsContact O-N 3.1Å; V8-K59 HydrophobicContact CG2-CD 3.61Å; V8-K59 HydrophobicContact CG2-CG 3.74Å; E57-K59 PolarHBondContact O-N 3.45Å
60	N	60.4	Low	68.4	Low	145 Å²	145	99.4 Å²	99.4	78%	0.775	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	5	173	-150.9	-72.3	0	0	0	113.4	R58 A62	R58-N60 PolarHBondContact O-N 2.92Å; R58-N60 VanDerWaalsContact O-N 3.16Å; N60-A62 PolarHBondContact O-N 2.95Å
61	S	53.1	Low	66.5	Low	42 Å²	42	105.3 Å²	105.3	29%	0.294	55%	0.546	S	S	.	.			trans	-87.5	51.5	177.1	-154.5	0	0	0	0	111.7	R58 R63 K64	R58-S61 WeakPolarHBondContact O-CB 3.47Å; R58-S61 PolarHBondContact O-N 2.97Å; S61-R63 PolarHBondContact O-N 2.89Å; S61-K64 PolarHBondContact O-N 2.8Å
62	A	51.2	Low	64.8	Low	86 Å²	86	113.5 Å²	113.5	71%	0.711	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	4.9	175.1	0	0	0	0	0	113.6	N60	N60-A62 PolarHBondContact O-N 2.95Å
63	R	54.2	Low	62.9	Low	232 Å²	232	119 Å²	119	88%	0.875	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	-6.1	179.8	-68.6	-153.7	178.4	-161.6	2.7	115.8	S61	S61-R63 PolarHBondContact O-N 2.89Å
64	K	48.4	Very low	61.3	Low	177 Å²	177	122.2 Å²	122.2	77%	0.77	63%	0.628	S	S	*	*	S	Bend	trans	-104.3	-2.8	179.8	-65.1	-148.9	175.9	-172.8	0	115.5	S61	S61-K64 PolarHBondContact O-N 2.8Å
65	A	50.6	Low	59.5	Low	68 Å²	68	124.1 Å²	124.1	56%	0.562	64%	0.637	S	S	*	*	S	Bend	trans	-97.1	9.3	178.5	0	0	0	0	0	115.3
66	S	45.3	Very low	57.8	Low	94 Å²	94	123.2 Å²	123.2	66%	0.657	66%	0.655	S	S	*	*	S	Bend	trans	-106	5.5	-175.7	-55	0	0	0	0	115.1
67	I	57.6	Low	56.1	Low	152 Å²	152	131.3 Å²	131.3	78%	0.779	70%	0.697	S	S	*	*	S	Bend	trans	-92.6	-2.3	-173.1	-89.1	153.7	0	0	0	115.1
68	V	56.8	Low	53.9	Low	125 Å²	125	129.8 Å²	129.8	76%	0.758	71%	0.708	S	S	*	*	S	Bend	trans	-118.6	20	-174.2	-58.6	0	0	0	0	116.4
69	K	54.1	Low	52.1	Low	156 Å²	156	135.8 Å²	135.8	68%	0.678	74%	0.736	S	S	*	*	S	Bend	trans	-112.1	8.7	-177	-78.4	146.2	-179.4	162.9	0	117
70	N	48.9	Very low	50.6	Low	147 Å²	147	136.2 Å²	136.2	79%	0.786	75%	0.75	S	S	*	*	S	Bend	trans	-130.7	10.7	-177.9	-82.6	90.1	0	0	0	117.2	K72	N70-K72 VanDerWaalsContact C-N 3.25Å; N70-K72 PolarHBondContact O-N 2.84Å
71	L	51.8	Low	49.9	Very low	171 Å²	171	138 Å²	138	90%	0.895	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	22	177.4	-149.2	82.6	0	0	0	114.5
72	K	52.2	Low	49.1	Very low	172 Å²	172	147.3 Å²	147.3	75%	0.748	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	6.1	-173.9	66	106.8	70.9	-162.8	0	115.7	N70	N70-K72 VanDerWaalsContact C-N 3.25Å; N70-K72 PolarHBondContact O-N 2.84Å
73	D	48.8	Very low	48.7	Very low	134 Å²	134	151.9 Å²	151.9	72%	0.717	78%	0.783	S	S	*	*	S	Bend	trans	-123.7	13.8	-172.6	-99.3	-84.3	0	0	0	116.2
74	T	52.1	Low	48.8	Very low	111 Å²	111	146.5 Å²	146.5	68%	0.681	78%	0.778	S	S	*	*	S	Bend	trans	-129.8	44.7	-177.3	73.4	0	0	0	0	114.4
75	L	49.7	Very low	48.1	Very low	172 Å²	172	143.5 Å²	143.5	90%	0.901	78%	0.78	S	S	*	*			trans	-146	67.3	162.5	-68.9	174	0	0	0	110	I77	L75-I77 PolarHBondContact O-N 2.82Å
76	G	52	Low	48.2	Very low	72 Å²	72	146.5 Å²	146.5	74%	0.742	79%	0.791	S	S	*	*			trans	-72.9	117.2	158.3	0	0	0	0	0	109.2
77	I	52.3	Low	48.8	Very low	178 Å²	178	147.7 Å²	147.7	91%	0.913	80%	0.796	S	S	*	*			trans	-167.5	124.1	154.9	-90.3	134.8	0	0	0	107.4	L75	L75-I77 PolarHBondContact O-N 2.82Å
78	G	36.1	Very low	47.8	Very low	68 Å²	68	147.6 Å²	147.6	70%	0.701	80%	0.797	S	S	*	*			trans	136.2	57	159.5	0	0	0	0	0	118.6	V80	G78-V80 PolarHBondContact O-N 2.85Å
79	K	46.7	Very low	46.8	Very low	215 Å²	215	147.1 Å²	147.1	94%	0.935	80%	0.795	S	S	*	*			trans	-61.4	108.3	151.8	-106.8	175.2	166	171.4	0	108.5
80	V	41.1	Very low	46.2	Very low	144 Å²	144	144 Å²	144	87%	0.873	80%	0.798	S	S	*	*			trans	-139.5	117.4	151.6	-77.8	0	0	0	0	111.4	G78	G78-V80 PolarHBondContact O-N 2.85Å
81	K	45.8	Very low	46.1	Very low	181 Å²	181	142.8 Å²	142.8	79%	0.787	80%	0.801	S	S	*	*			trans	-82.1	132.5	174.2	176.8	122	169.4	174	0	108.8
82	R	35.4	Very low	46	Very low	239 Å²	239	140.3 Å²	140.3	90%	0.902	80%	0.795	S	S	*	*			trans	-171.1	94.7	146.6	-100.6	152.5	-169.4	-161.5	3.2	113.7
83	K	43	Very low	45.8	Very low	181 Å²	181	137 Å²	137	79%	0.787	80%	0.8	S	S	*	*			trans	38.5	150.4	133.2	-47.2	-167.7	-168.4	176.4	0	123.1
84	P	56.7	Low	45.4	Very low	119 Å²	119	137.1 Å²	137.1	77%	0.773	80%	0.801	S	S	*	*			trans	-100.6	167.1	-164.9	41.2	-31.5	0	0	0	113.9
85	S	33.8	Very low	45	Very low	114 Å²	114	138.3 Å²	138.3	80%	0.797	80%	0.803	S	S	*	*			trans	150.2	137.8	156.7	-71.8	0	0	0	0	108.3
86	V	51.7	Low	44.6	Very low	132 Å²	132	134 Å²	134	80%	0.8	79%	0.788	S	S	*	*			cis	-165.1	163.5	-4.4	-92.9	0	0	0	0	105.3
87	P	58.4	Low	44.2	Very low	119 Å²	119	139.2 Å²	139.2	77%	0.773	79%	0.79	S	S	*	*			trans	-86.3	154.2	-177	36.2	-33.8	0	0	0	111.9
88	D	35.8	Very low	43.9	Very low	150 Å²	150	137.1 Å²	137.1	80%	0.802	79%	0.785	S	S	*	*			trans	179.3	158.4	131.7	-165.7	-112.8	0	0	0	111.5
89	T	37.3	Very low	44.5	Very low	115 Å²	115	139.2 Å²	139.2	71%	0.706	78%	0.78	S	S	*	*			trans	92.1	80.8	158.2	-38.5	0	0	0	0	118
90	A	41.1	Very low	44.7	Very low	89 Å²	89	135.2 Å²	135.2	74%	0.736	78%	0.776	S	S	*	*			trans	21.1	118.2	135.2	0	0	0	0	0	119.1
91	S	46.2	Very low	45	Very low	122 Å²	122	130.6 Å²	130.6	85%	0.853	76%	0.758	S	S	*	*			trans	-144.4	142.2	138	-95.1	0	0	0	0	112
92	P	49.5	Very low	45.2	Very low	119 Å²	119	128.7 Å²	128.7	77%	0.773	75%	0.752	S	S	*	*			trans	-86.7	150.9	-155.8	34.5	-36.5	0	0	0	114.1
93	A	48.7	Very low	45.9	Very low	104 Å²	104	127.7 Å²	127.7	86%	0.86	75%	0.748	S	S	*	*			trans	25.8	97.8	152.6	0	0	0	0	0	118
94	D	40.3	Very low	46.2	Very low	136 Å²	136	126.5 Å²	126.5	73%	0.727	75%	0.749	S	S	*	*			trans	-133.3	100.3	138	-170.7	-106.4	0	0	0	107.3	S96	D94-S96 PolarHBondContact O-N 3.36Å; D94-S96 WeakPolarHBondContact OD1-CB 3.49Å; D94-S96 PolarHBondContact OD1-OG 3.25Å
95	D	43.5	Very low	45.8	Very low	135 Å²	135	127.8 Å²	127.8	72%	0.722	74%	0.74	S	S	*	*			trans	-75.5	74.1	172.9	-166.5	-101.8	0	0	0	107.8	F97	D95-F97 WeakPolarHBondContact OD1-CD2 3.15Å; D95-F97 WeakPolarHBondContact OD2-CE2 3.27Å
96	S	40.8	Very low	46.7	Very low	83 Å²	83	127 Å²	127	58%	0.58	73%	0.727	S	S	*	*			trans	-104	88.4	161.2	-65.9	0	0	0	0	106.4	D94 V98	D94-S96 PolarHBondContact O-N 3.36Å; D94-S96 WeakPolarHBondContact OD1-CB 3.49Å; D94-S96 PolarHBondContact OD1-OG 3.25Å; S96-V98 PolarHBondContact O-N 3.25Å
97	F	43.2	Very low	47.1	Very low	181 Å²	181	129.2 Å²	129.2	79%	0.794	73%	0.733	S	S	*	*			trans	-54.9	89	159.2	-88.1	-99.3	0	0	0	107.7	D95 D99	D95-F97 WeakPolarHBondContact OD1-CD2 3.15Å; D95-F97 WeakPolarHBondContact OD2-CE2 3.27Å; F97-D99 VanDerWaalsContact C-N 3.34Å; F97-D99 PolarHBondContact O-N 2.69Å
98	V	46.8	Very low	47.4	Very low	133 Å²	133	130.3 Å²	130.3	81%	0.806	73%	0.732	S	S	*	*			trans	-73.2	100.2	169.9	101	0	0	0	0	105.6	S96	S96-V98 PolarHBondContact O-N 3.25Å
99	D	48.4	Very low	48.9	Very low	113 Å²	113	130.3 Å²	130.3	60%	0.604	73%	0.729	S	S	*	*			trans	-53.4	124.4	169.6	-172.5	-83.1	0	0	0	108.1	F97 G101	F97-D99 VanDerWaalsContact C-N 3.34Å; F97-D99 PolarHBondContact O-N 2.69Å; D99-G101 PolarHBondContact O-N 2.88Å; D99-G101 WeakPolarHBondContact OD1-CA 3.45Å; D99-G101 PolarHBondContact OD1-N 3.3Å
100	P	52	Low	50.4	Low	131 Å²	131	128.4 Å²	128.4	85%	0.851	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	11.3	-176.7	26.7	-32.5	0	0	0	113.9
101	G	46.1	Very low	51.9	Low	47 Å²	47	127.5 Å²	127.5	49%	0.485	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.5	-17.4	-179.7	0	0	0	0	0	117	D99	D99-G101 PolarHBondContact O-N 2.88Å; D99-G101 WeakPolarHBondContact OD1-CA 3.45Å; D99-G101 PolarHBondContact OD1-N 3.3Å
102	E	51.4	Low	53.5	Low	140 Å²	140	129 Å²	129	65%	0.654	70%	0.703	S	S	*	*	S	Bend	trans	-106.3	13	-164.6	-72.2	-112.2	105.2	0	0	115.5	Y105	E102-Y105 PolarHBondContact OE1-OH 2.89Å
103	R	49.3	Very low	55.2	Low	218 Å²	218	124.4 Å²	124.4	82%	0.823	67%	0.673	S	S	*	*			trans	-99.6	26.1	179.3	-145.4	-178.3	-173.3	162.6	3.5	114
104	L	50	Low	56.8	Low	156 Å²	156	126.9 Å²	126.9	82%	0.817	66%	0.664	S	S	*	*	S	Bend	trans	-84.8	-10.1	-171.2	-130.3	92.5	0	0	0	114.5
105	Y	47.6	Very low	58.4	Low	147 Å²	147	127.5 Å²	127.5	58%	0.576	66%	0.66	S	S	*	*			trans	-143.3	36.4	-171.2	43	-100.2	0	0	0	113.3	E102 L107	E102-Y105 PolarHBondContact OE1-OH 2.89Å; Y105-L107 PolarHBondContact O-N 2.93Å
106	D	53.3	Low	60.7	Low	98 Å²	98	125.6 Å²	125.6	52%	0.524	65%	0.65	S	S	.	*			trans	-65	87.6	166.4	-158.4	-76.6	0	0	0	108.4	N108 M109	D106-N108 PolarHBondContact O-N 3.32Å; D106-M109 WeakPolarHBondContact O-CB 3.37Å; D106-M109 PolarHBondContact O-N 3.26Å
107	L	60.2	Low	62.9	Low	178 Å²	178	125.8 Å²	125.8	93%	0.932	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-7.4	-178.4	-78.1	129.7	0	0	0	112.8	Y105	Y105-L107 PolarHBondContact O-N 2.93Å
108	N	64.4	Low	65.1	Low	141 Å²	141	123.9 Å²	123.9	75%	0.754	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	10.8	177.4	-154.3	-0.7	0	0	0	112.6	D106 P110	D106-N108 PolarHBondContact O-N 3.32Å; N108-P110 VanDerWaalsContact O-CD 3.27Å; N108-P110 WeakPolarHBondContact O-CD 3.32Å
109	M	67.4	Low	67.1	Low	150 Å²	150	119.1 Å²	119.1	74%	0.739	61%	0.609	S	S	*	*	S	Bend	trans	-70.4	116.5	172.1	-175.6	170.9	157.2	0	0	109.8	D106 A111	D106-M109 WeakPolarHBondContact O-CB 3.37Å; D106-M109 PolarHBondContact O-N 3.26Å; M109-A111 PolarHBondContact O-N 2.78Å; M109-A111 VanDerWaalsContact O-N 3.09Å
110	P	67.8	Low	68.9	Low	76 Å²	76	121.9 Å²	121.9	49%	0.494	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-63	116.3	178.8	25	-33	0	0	0	109.7	N108	N108-P110 VanDerWaalsContact O-CD 3.27Å; N108-P110 WeakPolarHBondContact O-CD 3.32Å
111	A	73.3	Confident	70.2	Confident	70 Å²	70	123.5 Å²	123.5	58%	0.579	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-95.5	120.7	-179.4	0	0	0	0	0	109.8	M109	M109-A111 PolarHBondContact O-N 2.78Å; M109-A111 VanDerWaalsContact O-N 3.09Å
112	F	79.9	Confident	71.8	Confident	153 Å²	153	131.4 Å²	131.4	67%	0.671	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-81.4	128.7	175.8	-67.3	-85.5	0	0	0	111	K114 K132	F112-K114 PolarHBondContact O-N 2.8Å; F112-K132 HydrophobicContact CD1-CB 4.38Å; F112-K132 HydrophobicContact CE1-CB 4.26Å
113	V	85.3	Confident	73.6	Confident	22 Å²	22	132.2 Å²	132.2	13%	0.133	64%	0.641	C	S	.	*			trans	-72	114.1	173.6	179.3	0	0	0	0	109.8	F115 L127 I128 K129 G130 T131	V113-F115 WeakPolarHBondContact CG1-O 3.32Å; V113-L127 HydrophobicContact CB-CB 4.49Å; V113-L127 HydrophobicContact CG1-CB 3.59Å; V113-L127 HydrophobicContact CG2-CB 4.04Å; V113-L127 HydrophobicContact CG2-CD2 4.1Å; V113-L127 HydrophobicContact CG2-CG 4.47Å; V113-I128 VanDerWaalsContact CB-O 3.25Å; V113-I128 WeakPolarHBondContact CB-O 3.33Å; V113-I128 VanDerWaalsContact CG1-O 3.27Å; V113-I128 WeakPolarHBondContact CG1-O 2.99Å; V113-K129 CarbonylContact O-C 3.59Å; V113-K129 WeakPolarHBondContact O-CA 2.98Å; V113-G130 PolarHBondContact O-N 3.21Å; V113-T131 WeakPolarHBondContact CG2-OG1 3.36Å; V113-T131 PolarHBondContact N-O 2.77Å
114	K	82.1	Confident	75.6	Confident	156 Å²	156	124.3 Å²	124.3	68%	0.678	61%	0.613	S	S	*	*			trans	-83.6	-24.8	-177.3	-161.7	178.1	179.9	85.1	0	113.7	F112 K129	F112-K114 PolarHBondContact O-N 2.8Å; K114-K129 WeakPolarHBondContact O-CD 3.34Å; K114-K129 WeakPolarHBondContact O-CG 3.45Å
115	F	74.6	Confident	77.3	Confident	149 Å²	149	123.3 Å²	123.3	65%	0.654	61%	0.608	S	S	*	*	S	Bend	trans	-137.8	150	-175.4	-57.3	-75.8	0	0	0	110.9	V113	V113-F115 WeakPolarHBondContact CG1-O 3.32Å
116	N	90	Very high	79.3	Confident	96 Å²	96	119.9 Å²	119.9	51%	0.513	61%	0.605	S	S	.	*			trans	-74.2	136	171.1	-159.3	87.4	0	0	0	109.3	L127	N116-L127 CarbonylContact C-O 3.39Å; N116-L127 WeakPolarHBondContact CA-O 3.14Å
117	Y	87.3	Confident	81	Confident	86 Å²	86	118.7 Å²	118.7	34%	0.337	60%	0.598	S	S	.	*	B	Isolated β-bridge	trans	-138.9	131.9	177.4	-177.9	-106.9	0	0	0	109.3	E124 L125 S126 L127	Y117-E124 HydrophobicContact CE1-CB 4.39Å; Y117-E124 VanDerWaalsContact OH-CD 3.29Å; Y117-E124 PolarHBondContact OH-OE1 2.97Å; Y117-E124 PolarHBondContact OH-OE2 2.81Å; Y117-L125 VanDerWaalsContact CD1-O 3.31Å; Y117-L125 WeakPolarHBondContact CD1-O 3.27Å; Y117-S126 CarbonylContact O-C 3.43Å; Y117-S126 VanDerWaalsContact O-CA 3.27Å; Y117-S126 WeakPolarHBondContact O-CA 3.48Å; Y117-L127 PolarHBondContact N-O 2.96Å; Y117-L127 PolarHBondContact O-N 3.18Å; Y117-L127 VanDerWaalsContact O-O 3.13Å
118	M	89.1	Confident	82.4	Confident	142 Å²	142	115.3 Å²	115.3	70%	0.7	58%	0.58	S	S	*	*			trans	-105.2	125.2	172.3	-73.3	-111.7	170.5	0	0	107	E120	M118-E120 PolarHBondContact O-N 2.86Å
119	A	88.8	Confident	83.4	Confident	33 Å²	33	115.6 Å²	115.6	27%	0.273	58%	0.575	S	S	.	*			trans	-62.2	128.2	176.2	0	0	0	0	0	109.9	E124 S126	A119-E124 HydrophobicContact CB-CB 3.73Å; A119-E124 WeakPolarHBondContact CB-O 3.22Å; A119-S126 WeakPolarHBondContact CB-OG 3.37Å; A119-S126 PolarHBondContact N-OG 3Å
120	E	86.8	Confident	83.9	Confident	171 Å²	171	111.2 Å²	111.2	80%	0.799	57%	0.568	S	S	*	*			trans	-100.2	-16.8	178	-64.3	-175.7	96.2	0	0	111.7	M118	M118-E120 PolarHBondContact O-N 2.86Å
121	R	79.6	Confident	84.4	Confident	164 Å²	164	110.5 Å²	110.5	62%	0.619	56%	0.562	S	S	*	*	S	Bend	trans	-124.1	153.9	177.7	-58.1	-179.4	-70.1	158.9	0.7	110.3	D123 E124	R121-D123 PolarHBondContact O-N 2.84Å; R121-D123 VanDerWaalsContact O-N 3.12Å; R121-E124 HydrophobicContact CB-CG 4.28Å; R121-E124 VanDerWaalsContact CB-OE2 3.28Å; R121-E124 WeakPolarHBondContact CB-OE2 3.46Å; R121-E124 WeakPolarHBondContact CG-OE2 3.11Å; R121-E124 IonicContact CZ-OE1 3.34Å; R121-E124 PolarHBondContact N-OE2 3.39Å; R121-E124 IonicContact NE-OE1 3.72Å; R121-E124 PolarHBondContact NE-OE1 2.77Å; R121-E124 IonicContact NE-OE2 2.86Å; R121-E124 PolarHBondContact NE-OE2 3.36Å; R121-E124 VanDerWaalsContact NE-OE2 3.17Å; R121-E124 IonicContact NH2-OE1 3.17Å; R121-E124 PolarHBondContact NH2-OE1 2.7Å; R121-E124 PolarHBondContact O-N 2.85Å
122	E	80.4	Confident	84.3	Confident	213 Å²	213	117 Å²	117	100%	0.995	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-19.8	179.9	-65	174.8	88.2	0	0	113.1	E124	E122-E124 VanDerWaalsContact C-N 3.34Å
123	D	88.5	Confident	84.5	Confident	158 Å²	158	115.2 Å²	115.2	85%	0.845	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	5	178	-146.2	-112	0	0	0	113.2	R121	R121-D123 PolarHBondContact O-N 2.84Å; R121-D123 VanDerWaalsContact O-N 3.12Å
124	E	91.7	Very high	84.5	Confident	51 Å²	51	120.1 Å²	120.1	24%	0.238	60%	0.595	C	S	.	*			trans	-113.7	145.9	-174.8	-66.9	174.5	139	0	0	112.4	Y117 A119 R121 E122	Y117-E124 HydrophobicContact CE1-CB 4.39Å; Y117-E124 VanDerWaalsContact OH-CD 3.29Å; Y117-E124 PolarHBondContact OH-OE1 2.97Å; Y117-E124 PolarHBondContact OH-OE2 2.81Å; A119-E124 HydrophobicContact CB-CB 3.73Å; A119-E124 WeakPolarHBondContact CB-O 3.22Å; R121-E124 HydrophobicContact CB-CG 4.28Å; R121-E124 VanDerWaalsContact CB-OE2 3.28Å; R121-E124 WeakPolarHBondContact CB-OE2 3.46Å; R121-E124 WeakPolarHBondContact CG-OE2 3.11Å; R121-E124 IonicContact CZ-OE1 3.34Å; R121-E124 PolarHBondContact N-OE2 3.39Å; R121-E124 IonicContact NE-OE1 3.72Å; R121-E124 PolarHBondContact NE-OE1 2.77Å; R121-E124 IonicContact NE-OE2 2.86Å; R121-E124 PolarHBondContact NE-OE2 3.36Å; R121-E124 VanDerWaalsContact NE-OE2 3.17Å; R121-E124 IonicContact NH2-OE1 3.17Å; R121-E124 PolarHBondContact NH2-OE1 2.7Å; R121-E124 PolarHBondContact O-N 2.85Å; E122-E124 VanDerWaalsContact C-N 3.34Å
125	L	84.9	Confident	84.6	Confident	136 Å²	136	118.1 Å²	118.1	71%	0.712	59%	0.591	S	S	*	*			trans	-95	131.2	173.1	-93.7	77.1	0	0	0	110.7	Y117 L127	Y117-L125 VanDerWaalsContact CD1-O 3.31Å; Y117-L125 WeakPolarHBondContact CD1-O 3.27Å; L125-L127 HydrophobicContact CB-CD2 4.39Å
126	S	89.2	Confident	85.2	Confident	74 Å²	74	116.2 Å²	116.2	52%	0.517	59%	0.587	S	S	.	*			trans	-73	128	166.9	-62.3	0	0	0	0	109.3	Y117 A119	Y117-S126 CarbonylContact O-C 3.43Å; Y117-S126 VanDerWaalsContact O-CA 3.27Å; Y117-S126 WeakPolarHBondContact O-CA 3.48Å; A119-S126 WeakPolarHBondContact CB-OG 3.37Å; A119-S126 PolarHBondContact N-OG 3Å
127	L	89.9	Confident	84.9	Confident	73 Å²	73	117.5 Å²	117.5	38%	0.382	59%	0.592	S	S	.	*	B	Isolated β-bridge	trans	-116.5	135.4	-177.3	-59	175.2	0	0	0	110	V113 N116 Y117 L125	V113-L127 HydrophobicContact CB-CB 4.49Å; V113-L127 HydrophobicContact CG1-CB 3.59Å; V113-L127 HydrophobicContact CG2-CB 4.04Å; V113-L127 HydrophobicContact CG2-CD2 4.1Å; V113-L127 HydrophobicContact CG2-CG 4.47Å; N116-L127 CarbonylContact C-O 3.39Å; N116-L127 WeakPolarHBondContact CA-O 3.14Å; Y117-L127 PolarHBondContact N-O 2.96Å; Y117-L127 PolarHBondContact O-N 3.18Å; Y117-L127 VanDerWaalsContact O-O 3.13Å; L125-L127 HydrophobicContact CB-CD2 4.39Å
128	I	88.8	Confident	84.8	Confident	107 Å²	107	119.6 Å²	119.6	55%	0.549	61%	0.609	S	S	.	*			trans	-107.9	127.6	178.5	-61.4	162.9	0	0	0	108.5	V113 G130 T131	V113-I128 VanDerWaalsContact CB-O 3.25Å; V113-I128 WeakPolarHBondContact CB-O 3.33Å; V113-I128 VanDerWaalsContact CG1-O 3.27Å; V113-I128 WeakPolarHBondContact CG1-O 2.99Å; I128-G130 PolarHBondContact O-N 3.12Å; I128-T131 HydrophobicContact CB-CG2 3.86Å; I128-T131 HydrophobicContact CG2-CG2 4.29Å; I128-T131 WeakPolarHBondContact O-CG2 3.46Å; I128-T131 PolarHBondContact O-N 2.96Å; I128-T131 VanDerWaalsContact O-N 3.1Å; I128-T131 PolarHBondContact O-OG1 3.5Å
129	K	85.9	Confident	84.5	Confident	148 Å²	148	118 Å²	118	64%	0.643	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	127	-180	178.1	-179.1	176.2	-169.2	0	111	V113 K114	V113-K129 CarbonylContact O-C 3.59Å; V113-K129 WeakPolarHBondContact O-CA 2.98Å; K114-K129 WeakPolarHBondContact O-CD 3.34Å; K114-K129 WeakPolarHBondContact O-CG 3.45Å
130	G	78.1	Confident	84.1	Confident	57 Å²	57	124.5 Å²	124.5	59%	0.588	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.3	-3.4	177.6	0	0	0	0	0	114.9	V113 I128	V113-G130 PolarHBondContact O-N 3.21Å; I128-G130 PolarHBondContact O-N 3.12Å
131	T	79.2	Confident	83.9	Confident	62 Å²	62	120.7 Å²	120.7	38%	0.38	61%	0.613	S	S	.	*			trans	-75.8	150.6	171	62.8	0	0	0	0	110.8	V113 I128	V113-T131 WeakPolarHBondContact CG2-OG1 3.36Å; V113-T131 PolarHBondContact N-O 2.77Å; I128-T131 HydrophobicContact CB-CG2 3.86Å; I128-T131 HydrophobicContact CG2-CG2 4.29Å; I128-T131 WeakPolarHBondContact O-CG2 3.46Å; I128-T131 PolarHBondContact O-N 2.96Å; I128-T131 VanDerWaalsContact O-N 3.1Å; I128-T131 PolarHBondContact O-OG1 3.5Å
132	K	70.8	Confident	84.3	Confident	205 Å²	205	116.7 Å²	116.7	89%	0.891	61%	0.613	S	S	*	*			trans	-115.8	0	176.7	76.1	169.5	-171	174.4	0	110.5	F112	F112-K132 HydrophobicContact CD1-CB 4.38Å; F112-K132 HydrophobicContact CE1-CB 4.26Å

Retrieved 132 of 132 residues in 446 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).