A0A077ZFF3_TRITR Loading...

Chymotrypsin-elastase inhibitor ixodidin

AlphaFold DB , UniProt , Accession A0A077ZFF3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 119 aa.

						>A0A077ZFF3_TRITR|A0A077ZFF3
MRKPSTDKVISLCQPQCGPNEQFTSCGTACPLTCEDVKNPTPKACTLQCVPGCFCKEGYALDASKKCVPESKLHDACIFSGGTHRSRNSCKGTNCHCRTRVIFASSLTDFNHVMVMPAP
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.1	Very low	52.5	Low	241 Å²	241	149 Å²	149	100%	1.187	77%	0.768	S	S	*	*				0	89.2	0	-58.8	-178.5	179.8	0	0	108.6	K3	M1-K3 PolarHBondContact O-N 3.11Å
2	R	45.5	Very low	53.3	Low	250 Å²	250	150.8 Å²	150.8	94%	0.943	78%	0.778	S	S	*	*			trans	-72.6	108.9	172.2	-87.7	-179.4	178.7	-171.4	-0.7	106.5	P4	R2-P4 WeakPolarHBondContact O-CD 3.37Å
3	K	41.2	Very low	53.8	Low	194 Å²	194	148.1 Å²	148.1	84%	0.843	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-58	120.6	165.5	-75.2	-167.4	178.6	-166.9	0	106	M1 S5	M1-K3 PolarHBondContact O-N 3.11Å; K3-S5 PolarHBondContact O-N 3.21Å; K3-S5 VanDerWaalsContact O-N 3.11Å
4	P	53.3	Low	54.2	Low	117 Å²	117	145.2 Å²	145.2	76%	0.76	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-58	121.7	-178.1	19.5	-28.7	0	0	0	108.3	R2 T6	R2-P4 WeakPolarHBondContact O-CD 3.37Å; P4-T6 PolarHBondContact O-N 2.73Å; P4-T6 VanDerWaalsContact O-N 3.12Å
5	S	49.3	Very low	54.7	Low	105 Å²	105	140 Å²	140	73%	0.734	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-53.6	116.1	170.3	-38.2	0	0	0	0	106.8	K3 D7	K3-S5 PolarHBondContact O-N 3.21Å; K3-S5 VanDerWaalsContact O-N 3.11Å; S5-D7 PolarHBondContact O-N 3.12Å
6	T	60.1	Low	55.7	Low	142 Å²	142	141.4 Å²	141.4	87%	0.871	74%	0.739	S	S	*	*			trans	-66	59	166.9	30.3	0	0	0	0	109.5	P4 K8	P4-T6 PolarHBondContact O-N 2.73Å; P4-T6 VanDerWaalsContact O-N 3.12Å; T6-K8 PolarHBondContact O-N 3.02Å
7	D	57.6	Low	57.2	Low	136 Å²	136	135.1 Å²	135.1	73%	0.727	71%	0.709	S	S	*	*			trans	-82.1	100.5	167.9	-137.2	-80.3	0	0	0	105.9	S5 V9	S5-D7 PolarHBondContact O-N 3.12Å; D7-V9 PolarHBondContact O-N 3.45Å
8	K	56.1	Low	58.5	Low	169 Å²	169	129.3 Å²	129.3	74%	0.735	69%	0.687	S	S	*	*			trans	73.9	34.2	147.8	-122.8	174.6	-177.3	-172.8	0	118.3	T6 I10	T6-K8 PolarHBondContact O-N 3.02Å; K8-I10 VanDerWaalsContact C-N 3.3Å; K8-I10 PolarHBondContact O-N 2.74Å
9	V	57.7	Low	59.7	Low	111 Å²	111	128.3 Å²	128.3	67%	0.673	69%	0.689	S	S	*	*			trans	-68.5	102.9	145.9	-177.2	0	0	0	0	105.4	D7 S11	D7-V9 PolarHBondContact O-N 3.45Å; V9-S11 PolarHBondContact O-N 3.48Å
10	I	57.1	Low	60.9	Low	131 Å²	131	124.8 Å²	124.8	67%	0.672	67%	0.67	S	S	*	*			trans	-69.3	70.5	166.8	-51.7	175.6	0	0	0	105.9	K8 L12	K8-I10 VanDerWaalsContact C-N 3.3Å; K8-I10 PolarHBondContact O-N 2.74Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.04Å
11	S	54.1	Low	62.1	Low	43 Å²	43	121.5 Å²	121.5	30%	0.301	65%	0.65	S	S	.	*			trans	-68.6	104.3	164.7	178.9	0	0	0	0	104.3	V9 C13 Q14	V9-S11 PolarHBondContact O-N 3.48Å; S11-C13 PolarHBondContact O-N 3.15Å; S11-Q14 PolarHBondContact O-N 2.97Å; S11-Q14 PolarHBondContact OG-N 3.29Å
12	L	61.9	Low	64	Low	170 Å²	170	115.1 Å²	115.1	89%	0.89	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	-7.9	174.7	-70.6	154.6	0	0	0	112.4	I10	I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.04Å
13	C	61	Low	65.9	Low	116 Å²	116	107.6 Å²	107.6	78%	0.784	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	1.5	176.6	-58.6	0	0	0	0	114.4	S11 P15	S11-C13 PolarHBondContact O-N 3.15Å; C13-P15 VanDerWaalsContact O-CD 3.27Å; C13-P15 WeakPolarHBondContact O-CD 3.27Å
14	Q	58.5	Low	68	Low	108 Å²	108	100.3 Å²	100.3	51%	0.505	56%	0.564	S	S	.	*	S	Bend	trans	-82.3	115.3	173.4	-85.4	-178.6	-18.8	0	0	109.5	S11 Q16	S11-Q14 PolarHBondContact O-N 2.97Å; S11-Q14 PolarHBondContact OG-N 3.29Å; Q14-Q16 PolarHBondContact O-N 3.26Å
15	P	62.3	Low	69.4	Low	67 Å²	67	99.3 Å²	99.3	44%	0.435	56%	0.56	S	S	.	*			trans	-61.5	113.1	176.2	23.2	-30.1	0	0	0	108.8	C13 C17 F23	C13-P15 VanDerWaalsContact O-CD 3.27Å; C13-P15 WeakPolarHBondContact O-CD 3.27Å; P15-C17 PolarHBondContact O-N 3.4Å; P15-C17 VanDerWaalsContact O-N 3.11Å; P15-F23 HydrophobicContact CB-CD2 4.23Å; P15-F23 HydrophobicContact CB-CE2 4.27Å; P15-F23 HydrophobicContact CG-CD2 3.32Å; P15-F23 HydrophobicContact CG-CE1 4.5Å; P15-F23 HydrophobicContact CG-CE2 3.15Å; P15-F23 HydrophobicContact CG-CG 4.1Å; P15-F23 HydrophobicContact CG-CZ 3.8Å
16	Q	70.5	Confident	71.1	Confident	162 Å²	162	97.6 Å²	97.6	76%	0.757	55%	0.547	S	S	*	.			trans	-73.6	99.5	171.8	-65.9	-70.1	-14.9	0	0	107	Q14	Q14-Q16 PolarHBondContact O-N 3.26Å
17	C	80.3	Confident	72.2	Confident	34 Å²	34	91.6 Å²	91.6	23%	0.23	51%	0.513	C	S	.	.			trans	-72.5	145.7	173.3	-56.4	0	0	0	0	110.2	P15 E21 F23 C53	P15-C17 PolarHBondContact O-N 3.4Å; P15-C17 VanDerWaalsContact O-N 3.11Å; C17-E21 HydrophobicContact CB-CB 3.68Å; C17-F23 VanDerWaalsContact SG-CA 3.59Å; C17-F23 VanDerWaalsContact SG-CB 3.53Å; C17-F23 PolarHBondContact SG-N 3.28Å; C17-C53 WeakPolarHBondContact CA-SG 2.98Å; C17-C53 HydrophobicContact CB-CB 3.72Å; C17-C53 WeakPolarHBondContact CB-SG 2.79Å; C17-C53 VanDerWaalsContact SG-CA 3.56Å; C17-C53 WeakPolarHBondContact SG-CB 3.47Å; C17-C53 CovalentContact SG-SG 2.03Å; C17-C53 PolarHBondContact SG-SG 2.81Å
18	G	80.6	Confident	73.4	Confident	31 Å²	31	88.5 Å²	88.5	32%	0.32	50%	0.499	S	S	.	.			trans	-71.5	-177.9	179.3	0	0	0	0	0	113.7	N20 E21	G18-N20 PolarHBondContact O-N 2.86Å; G18-E21 WeakPolarHBondContact CA-OE2 3.39Å; G18-E21 PolarHBondContact N-OE2 3.43Å; G18-E21 PolarHBondContact O-N 3Å; G18-E21 VanDerWaalsContact O-N 3.17Å
19	P	81.7	Confident	74.5	Confident	111 Å²	111	82.5 Å²	82.5	72%	0.721	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	131.9	176.2	26.7	-33.3	0	0	0	110.8	E21	P19-E21 PolarHBondContact O-N 3.11Å
20	N	84.2	Confident	75.5	Confident	58 Å²	58	79.2 Å²	79.2	31%	0.31	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	13.1	-175.6	-44.5	-61.5	0	0	0	115.6	G18 K56 Y59 C67	G18-N20 PolarHBondContact O-N 2.86Å; N20-K56 WeakPolarHBondContact O-CG 3.26Å; N20-K56 PolarHBondContact O-N 2.87Å; N20-Y59 HydrophobicContact CB-CD1 3.63Å; N20-Y59 HydrophobicContact CB-CE1 3.52Å; N20-Y59 HydrophobicContact CB-CG 4.24Å; N20-Y59 PolarHBondContact OD1-OH 2.78Å; N20-C67 HydrophobicContact CB-CB 4.12Å
21	E	85.3	Confident	76.6	Confident	56 Å²	56	75.5 Å²	75.5	26%	0.262	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	152.9	167.1	-68.3	178.1	113.5	0	0	110.3	C17 G18 P19 C53 F54 C67	C17-E21 HydrophobicContact CB-CB 3.68Å; G18-E21 WeakPolarHBondContact CA-OE2 3.39Å; G18-E21 PolarHBondContact N-OE2 3.43Å; G18-E21 PolarHBondContact O-N 3Å; G18-E21 VanDerWaalsContact O-N 3.17Å; P19-E21 PolarHBondContact O-N 3.11Å; E21-C53 HydrophobicContact CB-CB 4.36Å; E21-F54 CarbonylContact C-O 3.48Å; E21-F54 VanDerWaalsContact CA-O 3.27Å; E21-F54 WeakPolarHBondContact CA-O 3.1Å; E21-C67 HydrophobicContact CG-CB 4.39Å; E21-C67 WeakPolarHBondContact CG-SG 3.11Å
22	Q	86.1	Confident	77.9	Confident	106 Å²	106	77.4 Å²	77.4	50%	0.495	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.1	175.3	178.6	60	67.8	0	0	107.6	T24 F54 K56	Q22-T24 HydrophobicContact CG-CG2 4.17Å; Q22-T24 PolarHBondContact O-N 3.26Å; Q22-F54 PolarHBondContact N-O 3.42Å; Q22-F54 PolarHBondContact O-N 2.03Å; Q22-K56 HydrophobicContact CB-CG 4.19Å
23	F	85.7	Confident	79	Confident	93 Å²	93	70.9 Å²	70.9	41%	0.408	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	126.6	170.3	-173.8	-109.4	0	0	0	108.9	P15 C17 G52	P15-F23 HydrophobicContact CB-CD2 4.23Å; P15-F23 HydrophobicContact CB-CE2 4.27Å; P15-F23 HydrophobicContact CG-CD2 3.32Å; P15-F23 HydrophobicContact CG-CE1 4.5Å; P15-F23 HydrophobicContact CG-CE2 3.15Å; P15-F23 HydrophobicContact CG-CG 4.1Å; P15-F23 HydrophobicContact CG-CZ 3.8Å; C17-F23 VanDerWaalsContact SG-CA 3.59Å; C17-F23 VanDerWaalsContact SG-CB 3.53Å; C17-F23 PolarHBondContact SG-N 3.28Å; F23-G52 WeakPolarHBondContact CA-O 3.01Å; F23-G52 VanDerWaalsContact CD2-O 3.26Å; F23-G52 WeakPolarHBondContact CD2-O 3.34Å
24	T	83.9	Confident	79.8	Confident	41 Å²	41	65.9 Å²	65.9	25%	0.252	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.3	172	79.3	0	0	0	0	109.2	Q22 C26 G27 P51 G52 F54	Q22-T24 HydrophobicContact CG-CG2 4.17Å; Q22-T24 PolarHBondContact O-N 3.26Å; T24-C26 VanDerWaalsContact C-N 3.3Å; T24-C26 VanDerWaalsContact OG1-C 3.31Å; T24-C26 PolarHBondContact OG1-O 2.92Å; T24-G27 PolarHBondContact OG1-N 3.46Å; T24-P51 WeakPolarHBondContact O-CA 3.34Å; T24-G52 PolarHBondContact N-O 2.93Å; T24-G52 PolarHBondContact O-N 3.36Å; T24-F54 HydrophobicContact CG2-CD2 4.29Å; T24-F54 WeakPolarHBondContact OG1-CD2 3.1Å; T24-F54 WeakPolarHBondContact OG1-CE2 3.44Å
25	S	83.9	Confident	80.7	Confident	96 Å²	96	68.1 Å²	68.1	67%	0.671	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	-20.9	174	50.2	0	0	0	0	112.7	P51	S25-P51 WeakPolarHBondContact O-CA 3.09Å; S25-P51 WeakPolarHBondContact O-CB 3.47Å
26	C	85	Confident	81.5	Confident	69 Å²	69	65.7 Å²	65.7	47%	0.466	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	102	172.6	173.5	0	0	0	0	108.3	T24 C49	T24-C26 VanDerWaalsContact C-N 3.3Å; T24-C26 VanDerWaalsContact OG1-C 3.31Å; T24-C26 PolarHBondContact OG1-O 2.92Å; C26-C49 HydrophobicContact CB-CB 3.53Å; C26-C49 WeakPolarHBondContact CB-SG 3.45Å; C26-C49 VanDerWaalsContact SG-CA 3.59Å; C26-C49 WeakPolarHBondContact SG-CB 3.31Å; C26-C49 CovalentContact SG-SG 2.03Å; C26-C49 PolarHBondContact SG-SG 3.06Å
27	G	83	Confident	81.8	Confident	15 Å²	15	60.3 Å²	60.3	16%	0.155	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	176.7	166.6	0	0	0	0	0	111.8	T24 V50 F54	T24-G27 PolarHBondContact OG1-N 3.46Å; G27-V50 PolarHBondContact N-O 2.03Å; G27-V50 PolarHBondContact O-N 3.25Å; G27-V50 VanDerWaalsContact O-N 3.09Å; G27-F54 VanDerWaalsContact CA-CE2 3.47Å
28	T	82	Confident	81.6	Confident	71 Å²	71	64.9 Å²	64.9	44%	0.436	37%	0.374	S	S	.	.			trans	-69.7	134.9	178	171.5	0	0	0	0	110.9	C30 F54	T28-C30 WeakPolarHBondContact CG2-O 3.19Å; T28-C30 PolarHBondContact O-N 3.48Å; T28-C30 PolarHBondContact OG1-N 2.95Å; T28-C30 PolarHBondContact OG1-O 2.98Å; T28-F54 HydrophobicContact CG2-CD1 4.46Å; T28-F54 WeakPolarHBondContact O-CE1 3.38Å
29	A	79.1	Confident	81.4	Confident	43 Å²	43	68.3 Å²	68.3	36%	0.355	39%	0.385	S	S	.	.	S	Bend	trans	-64.5	-20.7	171.2	0	0	0	0	0	112.8	P31 V50	A29-P31 WeakPolarHBondContact O-CD 3.39Å; A29-V50 HydrophobicContact CB-CG2 3.93Å
30	C	80.2	Confident	81.2	Confident	42 Å²	42	68.1 Å²	68.1	28%	0.284	39%	0.385	S	S	.	.	S	Bend	trans	-108.9	99.6	173.7	-69.1	0	0	0	0	109.9	T28 C45	T28-C30 WeakPolarHBondContact CG2-O 3.19Å; T28-C30 PolarHBondContact O-N 3.48Å; T28-C30 PolarHBondContact OG1-N 2.95Å; T28-C30 PolarHBondContact OG1-O 2.98Å; C30-C45 HydrophobicContact CB-CB 3.7Å; C30-C45 WeakPolarHBondContact CB-SG 3.35Å; C30-C45 VanDerWaalsContact SG-CA 3.51Å; C30-C45 WeakPolarHBondContact SG-CB 3.27Å; C30-C45 CovalentContact SG-SG 2.02Å; C30-C45 PolarHBondContact SG-SG 2.91Å
31	P	78.9	Confident	80.6	Confident	54 Å²	54	68.5 Å²	68.5	35%	0.351	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-66.7	143.9	171.7	30.6	-35.2	0	0	0	110	A29 T33 L61	A29-P31 WeakPolarHBondContact O-CD 3.39Å; P31-T33 PolarHBondContact O-N 3.5Å; P31-L61 HydrophobicContact CB-CD1 3.43Å; P31-L61 VanDerWaalsContact CB-CD1 3.43Å; P31-L61 HydrophobicContact CB-CG 4.34Å; P31-L61 HydrophobicContact CG-CD1 3.51Å
32	L	82.1	Confident	80	Confident	83 Å²	83	72.2 Å²	72.2	44%	0.435	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-68.9	123	177.6	-167.5	71.6	0	0	0	109.2	D36 V37 A60 L61	L32-D36 HydrophobicContact CD1-CB 3.89Å; L32-V37 HydrophobicContact CD1-CG2 4.33Å; L32-V37 HydrophobicContact CD2-CG2 3.71Å; L32-V37 HydrophobicContact CG-CG2 3.81Å; L32-A60 HydrophobicContact CG-CB 4.48Å; L32-A60 CarbonylContact O-C 3.57Å; L32-A60 WeakPolarHBondContact O-CA 3.39Å; L32-L61 PolarHBondContact O-N 2.85Å
33	T	84.5	Confident	79.3	Confident	33 Å²	33	72.3 Å²	72.3	20%	0.202	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-102.8	161.6	176.5	71.4	0	0	0	0	112	P31 E35 D36 V37 L61	P31-T33 PolarHBondContact O-N 3.5Å; T33-E35 PolarHBondContact O-N 2.99Å; T33-E35 VanDerWaalsContact O-N 3.14Å; T33-D36 WeakPolarHBondContact CB-OD2 3.29Å; T33-D36 PolarHBondContact N-OD2 2.77Å; T33-D36 VanDerWaalsContact N-OD2 3.07Å; T33-D36 WeakPolarHBondContact O-CB 3.4Å; T33-D36 PolarHBondContact O-N 3.25Å; T33-D36 PolarHBondContact OG1-N 2.96Å; T33-D36 PolarHBondContact OG1-OD2 3.49Å; T33-V37 PolarHBondContact O-N 3.09Å; T33-V37 VanDerWaalsContact O-N 3.16Å; T33-L61 CarbonylContact C-O 3.49Å; T33-L61 VanDerWaalsContact CA-O 3.27Å; T33-L61 WeakPolarHBondContact CA-O 3.45Å; T33-L61 WeakPolarHBondContact CB-O 3.45Å; T33-L61 HydrophobicContact CG2-CB 4.31Å
34	C	77.8	Confident	78.8	Confident	11 Å²	11	73 Å²	73	7%	0.074	44%	0.439	C	S	.	.	H	α-helix	trans	-52.9	-33.1	174.7	-68.5	0	0	0	0	113.2	K38 L61 D62 V68 L73	C34-K38 WeakPolarHBondContact O-CG 3.06Å; C34-K38 PolarHBondContact O-N 3.05Å; C34-L61 PolarHBondContact N-O 3.39Å; C34-L61 VanDerWaalsContact SG-C 3.59Å; C34-L61 PolarHBondContact SG-O 2.81Å; C34-D62 WeakPolarHBondContact SG-CA 3.22Å; C34-D62 PolarHBondContact SG-OD2 2.03Å; C34-V68 WeakPolarHBondContact SG-CG2 3.5Å; C34-L73 HydrophobicContact CB-CD1 4.1Å; C34-L73 HydrophobicContact CB-CD2 3.36Å; C34-L73 HydrophobicContact CB-CG 4.36Å; C34-L73 WeakPolarHBondContact SG-CD2 3.22Å
35	E	77.1	Confident	78.4	Confident	154 Å²	154	73.3 Å²	73.3	72%	0.72	44%	0.443	S	S	*	.	H	α-helix	trans	-74.6	-35.6	176.8	-64.5	-174.2	94.5	0	0	112.2	T33 V37 K38 N39	T33-E35 PolarHBondContact O-N 2.99Å; T33-E35 VanDerWaalsContact O-N 3.14Å; E35-V37 VanDerWaalsContact C-N 3.32Å; E35-V37 PolarHBondContact O-N 3.43Å; E35-K38 PolarHBondContact O-N 3.17Å; E35-N39 CarbonylContact O-C 3.57Å; E35-N39 WeakPolarHBondContact O-CA 3.35Å; E35-N39 PolarHBondContact O-N 2.97Å
36	D	80.3	Confident	78.2	Confident	17 Å²	17	73 Å²	73	9%	0.091	44%	0.437	C	S	.	.	H	α-helix	trans	-64.2	-38.4	175.8	-67.7	-65.5	0	0	0	111.8	L32 T33 N39 P40 K43	L32-D36 HydrophobicContact CD1-CB 3.89Å; T33-D36 WeakPolarHBondContact CB-OD2 3.29Å; T33-D36 PolarHBondContact N-OD2 2.77Å; T33-D36 VanDerWaalsContact N-OD2 3.07Å; T33-D36 WeakPolarHBondContact O-CB 3.4Å; T33-D36 PolarHBondContact O-N 3.25Å; T33-D36 PolarHBondContact OG1-N 2.96Å; T33-D36 PolarHBondContact OG1-OD2 3.49Å; D36-N39 CarbonylContact O-C 3.51Å; D36-P40 WeakPolarHBondContact O-CA 3.02Å; D36-P40 VanDerWaalsContact O-N 3.14Å; D36-K43 VanDerWaalsContact OD1-CD 3.22Å; D36-K43 WeakPolarHBondContact OD1-CD 3.31Å; D36-K43 WeakPolarHBondContact OD1-CE 3.06Å; D36-K43 IonicContact OD1-NZ 2.7Å; D36-K43 PolarHBondContact OD1-NZ 3.39Å; D36-K43 IonicContact OD2-NZ 2.83Å; D36-K43 PolarHBondContact OD2-NZ 2.76Å
37	V	76.4	Confident	77.7	Confident	49 Å²	49	78.4 Å²	78.4	30%	0.297	46%	0.461	S	S	.	.	H	α-helix	trans	-70.5	-41.7	177.7	179.4	0	0	0	0	111	L32 T33 E35 A60 E70 L73	L32-V37 HydrophobicContact CD1-CG2 4.33Å; L32-V37 HydrophobicContact CD2-CG2 3.71Å; L32-V37 HydrophobicContact CG-CG2 3.81Å; T33-V37 PolarHBondContact O-N 3.09Å; T33-V37 VanDerWaalsContact O-N 3.16Å; E35-V37 VanDerWaalsContact C-N 3.32Å; E35-V37 PolarHBondContact O-N 3.43Å; V37-A60 HydrophobicContact CG2-CB 3.91Å; V37-E70 HydrophobicContact CG2-CG 4.11Å; V37-E70 VanDerWaalsContact CG2-OE1 3.26Å; V37-E70 WeakPolarHBondContact CG2-OE1 3.47Å; V37-L73 HydrophobicContact CB-CD1 3.63Å; V37-L73 HydrophobicContact CG1-CB 4.47Å; V37-L73 HydrophobicContact CG1-CD1 3.8Å; V37-L73 HydrophobicContact CG2-CD1 3.84Å
38	K	75.4	Confident	77.7	Confident	129 Å²	129	84.3 Å²	84.3	56%	0.561	48%	0.484	S	S	*	.	H	α-helix	trans	-70.8	-37.8	178.2	-75.1	-179.3	-179.6	-174.9	0	112.4	C34 E35	C34-K38 WeakPolarHBondContact O-CG 3.06Å; C34-K38 PolarHBondContact O-N 3.05Å; E35-K38 PolarHBondContact O-N 3.17Å
39	N	77.3	Confident	77.8	Confident	103 Å²	103	84.4 Å²	84.4	55%	0.551	49%	0.487	S	S	*	.	S	Bend	trans	-135.1	89.4	-177.5	-172.9	46.3	0	0	0	108.2	E35 D36 T41	E35-N39 CarbonylContact O-C 3.57Å; E35-N39 WeakPolarHBondContact O-CA 3.35Å; E35-N39 PolarHBondContact O-N 2.97Å; D36-N39 CarbonylContact O-C 3.51Å; N39-T41 WeakPolarHBondContact ND2-CG2 3.19Å; N39-T41 PolarHBondContact O-N 3.42Å
40	P	76.1	Confident	78.1	Confident	108 Å²	108	85 Å²	85	70%	0.701	49%	0.486	S	S	*	.			trans	-66.7	87.6	179.8	27.3	-34	0	0	0	109.1	D36	D36-P40 WeakPolarHBondContact O-CA 3.02Å; D36-P40 VanDerWaalsContact O-N 3.14Å
41	T	72.9	Confident	78.4	Confident	65 Å²	65	87.1 Å²	87.1	40%	0.399	50%	0.499	S	S	.	.			trans	-88.1	134.8	173.1	47	0	0	0	0	108	N39 K43	N39-T41 WeakPolarHBondContact ND2-CG2 3.19Å; N39-T41 PolarHBondContact O-N 3.42Å; T41-K43 VanDerWaalsContact C-N 3.31Å; T41-K43 PolarHBondContact O-N 3.36Å
42	P	72.2	Confident	78.7	Confident	134 Å²	134	85.4 Å²	85.4	87%	0.87	49%	0.491	S	S	*	.			trans	-67	94.5	174.7	26.7	-31.9	0	0	0	108.6
43	K	70.5	Confident	78.9	Confident	108 Å²	108	83.4 Å²	83.4	47%	0.47	48%	0.484	S	S	.	.			trans	-80.5	128.1	168.8	-71.7	-178.1	178.9	165.3	0	108.3	D36 T41 C45	D36-K43 VanDerWaalsContact OD1-CD 3.22Å; D36-K43 WeakPolarHBondContact OD1-CD 3.31Å; D36-K43 WeakPolarHBondContact OD1-CE 3.06Å; D36-K43 IonicContact OD1-NZ 2.7Å; D36-K43 PolarHBondContact OD1-NZ 3.39Å; D36-K43 IonicContact OD2-NZ 2.83Å; D36-K43 PolarHBondContact OD2-NZ 2.76Å; T41-K43 VanDerWaalsContact C-N 3.31Å; T41-K43 PolarHBondContact O-N 3.36Å; K43-C45 VanDerWaalsContact C-N 3.29Å; K43-C45 PolarHBondContact O-N 3.5Å
44	A	75.6	Confident	79.1	Confident	107 Å²	107	83.3 Å²	83.3	88%	0.884	48%	0.481	S	S	*	.			trans	-70.7	90.4	170.8	0	0	0	0	0	108.6
45	C	76.2	Confident	79.5	Confident	49 Å²	49	84.2 Å²	84.2	33%	0.331	49%	0.486	S	S	.	.			trans	-97.3	132.7	179.4	-66.7	0	0	0	0	110	C30 K43	C30-C45 HydrophobicContact CB-CB 3.7Å; C30-C45 WeakPolarHBondContact CB-SG 3.35Å; C30-C45 VanDerWaalsContact SG-CA 3.51Å; C30-C45 WeakPolarHBondContact SG-CB 3.27Å; C30-C45 CovalentContact SG-SG 2.02Å; C30-C45 PolarHBondContact SG-SG 2.91Å; K43-C45 VanDerWaalsContact C-N 3.29Å; K43-C45 PolarHBondContact O-N 3.5Å
46	T	78.8	Confident	80	Confident	90 Å²	90	81.3 Å²	81.3	55%	0.552	47%	0.472	S	S	*	.			trans	-71.1	133.7	173.3	54.1	0	0	0	0	108.5	Q48	T46-Q48 PolarHBondContact O-N 3.44Å
47	L	75.7	Confident	80.2	Confident	182 Å²	182	90.1 Å²	90.1	95%	0.953	51%	0.512	S	S	*	.			trans	-75.1	23.1	173.2	-65.8	173.6	0	0	0	112	C49	L47-C49 PolarHBondContact O-N 2.96Å
48	Q	82.2	Confident	80.6	Confident	138 Å²	138	89.3 Å²	89.3	65%	0.645	51%	0.513	S	S	*	.			trans	-77.4	125.9	178.7	-174.6	162.3	-97.7	0	0	109.2	T46 V50	T46-Q48 PolarHBondContact O-N 3.44Å; Q48-V50 PolarHBondContact O-N 2.8Å
49	C	84.8	Confident	81.1	Confident	73 Å²	73	86.3 Å²	86.3	49%	0.493	50%	0.499	S	S	.	.			trans	-62.4	118.6	171.2	-73.9	0	0	0	0	110.2	C26 L47	C26-C49 HydrophobicContact CB-CB 3.53Å; C26-C49 WeakPolarHBondContact CB-SG 3.45Å; C26-C49 VanDerWaalsContact SG-CA 3.59Å; C26-C49 WeakPolarHBondContact SG-CB 3.31Å; C26-C49 CovalentContact SG-SG 2.03Å; C26-C49 PolarHBondContact SG-SG 3.06Å; L47-C49 PolarHBondContact O-N 2.96Å
50	V	85.3	Confident	81.5	Confident	56 Å²	56	81.4 Å²	81.4	34%	0.339	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.2	170.4	-176.5	0	0	0	0	108.7	G27 A29 Q48 F54	G27-V50 PolarHBondContact N-O 2.03Å; G27-V50 PolarHBondContact O-N 3.25Å; G27-V50 VanDerWaalsContact O-N 3.09Å; A29-V50 HydrophobicContact CB-CG2 3.93Å; Q48-V50 PolarHBondContact O-N 2.8Å; V50-F54 HydrophobicContact CB-CZ 4.32Å; V50-F54 WeakPolarHBondContact O-CE2 3.05Å; V50-F54 WeakPolarHBondContact O-CZ 3.37Å
51	P	85.5	Confident	82	Confident	86 Å²	86	77.6 Å²	77.6	56%	0.558	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	126.9	171.7	27.1	-30.9	0	0	0	110.1	T24 S25	T24-P51 WeakPolarHBondContact O-CA 3.34Å; S25-P51 WeakPolarHBondContact O-CA 3.09Å; S25-P51 WeakPolarHBondContact O-CB 3.47Å
52	G	86.7	Confident	82.4	Confident	18 Å²	18	77.5 Å²	77.5	19%	0.186	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.8	-176.8	-173.9	0	0	0	0	0	114.4	F23 T24 F54	F23-G52 WeakPolarHBondContact CA-O 3.01Å; F23-G52 VanDerWaalsContact CD2-O 3.26Å; F23-G52 WeakPolarHBondContact CD2-O 3.34Å; T24-G52 PolarHBondContact N-O 2.93Å; T24-G52 PolarHBondContact O-N 3.36Å; G52-F54 VanDerWaalsContact O-CD2 3.29Å; G52-F54 WeakPolarHBondContact O-CD2 3.06Å; G52-F54 WeakPolarHBondContact O-CE2 3.46Å
53	C	86.7	Confident	82.7	Confident	41 Å²	41	76 Å²	76	28%	0.277	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.5	171.8	-63.5	0	0	0	0	109.3	C17 E21	C17-C53 WeakPolarHBondContact CA-SG 2.98Å; C17-C53 HydrophobicContact CB-CB 3.72Å; C17-C53 WeakPolarHBondContact CB-SG 2.79Å; C17-C53 VanDerWaalsContact SG-CA 3.56Å; C17-C53 WeakPolarHBondContact SG-CB 3.47Å; C17-C53 CovalentContact SG-SG 2.03Å; C17-C53 PolarHBondContact SG-SG 2.81Å; E21-C53 HydrophobicContact CB-CB 4.36Å
54	F	87.3	Confident	83.1	Confident	32 Å²	32	74.8 Å²	74.8	14%	0.14	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.8	178.8	-62.5	-81.9	0	0	0	110.3	E21 Q22 T24 G27 T28 V50 G52 K56	E21-F54 CarbonylContact C-O 3.48Å; E21-F54 VanDerWaalsContact CA-O 3.27Å; E21-F54 WeakPolarHBondContact CA-O 3.1Å; Q22-F54 PolarHBondContact N-O 3.42Å; Q22-F54 PolarHBondContact O-N 2.03Å; T24-F54 HydrophobicContact CG2-CD2 4.29Å; T24-F54 WeakPolarHBondContact OG1-CD2 3.1Å; T24-F54 WeakPolarHBondContact OG1-CE2 3.44Å; G27-F54 VanDerWaalsContact CA-CE2 3.47Å; T28-F54 HydrophobicContact CG2-CD1 4.46Å; T28-F54 WeakPolarHBondContact O-CE1 3.38Å; V50-F54 HydrophobicContact CB-CZ 4.32Å; V50-F54 WeakPolarHBondContact O-CE2 3.05Å; V50-F54 WeakPolarHBondContact O-CZ 3.37Å; G52-F54 VanDerWaalsContact O-CD2 3.29Å; G52-F54 WeakPolarHBondContact O-CD2 3.06Å; G52-F54 WeakPolarHBondContact O-CE2 3.46Å; F54-K56 PolarHBondContact O-N 2.86Å
55	C	87.3	Confident	83.3	Confident	29 Å²	29	78 Å²	78	20%	0.196	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	140.9	171.2	-61.4	0	0	0	0	110.2	Y59 L61 C67	C55-Y59 WeakPolarHBondContact CB-O 3.26Å; C55-L61 VanDerWaalsContact SG-CD2 3.56Å; C55-C67 WeakPolarHBondContact CA-SG 3.23Å; C55-C67 HydrophobicContact CB-CB 3.77Å; C55-C67 WeakPolarHBondContact CB-SG 3.36Å; C55-C67 VanDerWaalsContact SG-CA 3.54Å; C55-C67 WeakPolarHBondContact SG-CB 3.32Å; C55-C67 CovalentContact SG-SG 2.03Å; C55-C67 PolarHBondContact SG-SG 3.02Å
56	K	88	Confident	83.6	Confident	94 Å²	94	82.6 Å²	82.6	41%	0.409	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-60.4	156.6	171.9	-69.6	176.2	-177	-176.7	0	110.5	N20 Q22 F54 G58 Y59	N20-K56 WeakPolarHBondContact O-CG 3.26Å; N20-K56 PolarHBondContact O-N 2.87Å; Q22-K56 HydrophobicContact CB-CG 4.19Å; F54-K56 PolarHBondContact O-N 2.86Å; K56-G58 PolarHBondContact O-N 2.78Å; K56-Y59 HydrophobicContact CB-CD2 3.96Å; K56-Y59 HydrophobicContact CB-CE2 4.43Å; K56-Y59 WeakPolarHBondContact O-CB 3.34Å; K56-Y59 PolarHBondContact O-N 2.88Å
57	E	84	Confident	84	Confident	202 Å²	202	78.8 Å²	78.8	94%	0.944	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	135.2	172.3	-168.1	171.7	87.8	0	0	110.5
58	G	83.7	Confident	84.4	Confident	31 Å²	31	71.9 Å²	71.9	32%	0.32	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	3	-170.8	0	0	0	0	0	114.6	K56 P69 E70	K56-G58 PolarHBondContact O-N 2.78Å; G58-P69 CarbonylContact O-C 3.22Å; G58-P69 VanDerWaalsContact O-CA 3.32Å; G58-P69 WeakPolarHBondContact O-CA 3.43Å; G58-E70 WeakPolarHBondContact CA-OE2 3.15Å; G58-E70 PolarHBondContact N-OE2 3.37Å; G58-E70 PolarHBondContact O-N 3.07Å
59	Y	87.3	Confident	84.5	Confident	67 Å²	67	67 Å²	67	26%	0.263	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.1	177	-66.7	-109.4	0	0	0	111.3	N20 C55 K56 C67 V68 P69	N20-Y59 HydrophobicContact CB-CD1 3.63Å; N20-Y59 HydrophobicContact CB-CE1 3.52Å; N20-Y59 HydrophobicContact CB-CG 4.24Å; N20-Y59 PolarHBondContact OD1-OH 2.78Å; C55-Y59 WeakPolarHBondContact CB-O 3.26Å; K56-Y59 HydrophobicContact CB-CD2 3.96Å; K56-Y59 HydrophobicContact CB-CE2 4.43Å; K56-Y59 WeakPolarHBondContact O-CB 3.34Å; K56-Y59 PolarHBondContact O-N 2.88Å; Y59-C67 HydrophobicContact CD1-CB 4.41Å; Y59-V68 CarbonylContact C-O 3.55Å; Y59-V68 VanDerWaalsContact CA-O 3.23Å; Y59-V68 WeakPolarHBondContact CA-O 3.4Å; Y59-V68 VanDerWaalsContact CD1-C 3.49Å; Y59-P69 HydrophobicContact CD1-CB 4.02Å; Y59-P69 VanDerWaalsContact CD1-N 3.33Å; Y59-P69 HydrophobicContact CE1-CB 3.84Å; Y59-P69 HydrophobicContact CE1-CG 4.17Å; Y59-P69 HydrophobicContact CG-CB 4.48Å
60	A	85.5	Confident	84.3	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	153.8	176.2	0	0	0	0	0	110.8	L32 V37 D62 C67 V68 E70 L73	L32-A60 HydrophobicContact CG-CB 4.48Å; L32-A60 CarbonylContact O-C 3.57Å; L32-A60 WeakPolarHBondContact O-CA 3.39Å; V37-A60 HydrophobicContact CG2-CB 3.91Å; A60-D62 PolarHBondContact O-N 3.29Å; A60-C67 WeakPolarHBondContact O-CA 2.94Å; A60-V68 PolarHBondContact N-O 3.38Å; A60-V68 WeakPolarHBondContact O-CG2 3.27Å; A60-V68 PolarHBondContact O-N 3.44Å; A60-E70 HydrophobicContact CB-CG 4.13Å; A60-L73 HydrophobicContact CB-CD1 3.96Å
61	L	85.5	Confident	83.6	Confident	28 Å²	28	66.2 Å²	66.2	15%	0.147	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	122.2	173.6	-76	175.5	0	0	0	110.6	P31 L32 T33 C34 C55	P31-L61 HydrophobicContact CB-CD1 3.43Å; P31-L61 VanDerWaalsContact CB-CD1 3.43Å; P31-L61 HydrophobicContact CB-CG 4.34Å; P31-L61 HydrophobicContact CG-CD1 3.51Å; L32-L61 PolarHBondContact O-N 2.85Å; T33-L61 CarbonylContact C-O 3.49Å; T33-L61 VanDerWaalsContact CA-O 3.27Å; T33-L61 WeakPolarHBondContact CA-O 3.45Å; T33-L61 WeakPolarHBondContact CB-O 3.45Å; T33-L61 HydrophobicContact CG2-CB 4.31Å; C34-L61 PolarHBondContact N-O 3.39Å; C34-L61 VanDerWaalsContact SG-C 3.59Å; C34-L61 PolarHBondContact SG-O 2.81Å; C55-L61 VanDerWaalsContact SG-CD2 3.56Å
62	D	82.6	Confident	82.9	Confident	63 Å²	63	68.4 Å²	68.4	34%	0.337	37%	0.37	S	S	.	.			trans	-74.8	169.2	167.2	-160.9	-101.2	0	0	0	111.8	C34 A60 S64 K65 K66 V68	C34-D62 WeakPolarHBondContact SG-CA 3.22Å; C34-D62 PolarHBondContact SG-OD2 2.03Å; A60-D62 PolarHBondContact O-N 3.29Å; D62-S64 PolarHBondContact O-N 2.91Å; D62-K65 WeakPolarHBondContact O-CA 3.36Å; D62-K65 PolarHBondContact O-N 3.39Å; D62-K66 PolarHBondContact N-O 3.15Å; D62-V68 HydrophobicContact CB-CG1 4.11Å; D62-V68 HydrophobicContact CB-CG2 3.99Å
63	A	77.8	Confident	81.9	Confident	103 Å²	103	68.3 Å²	68.3	85%	0.851	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.4	176.6	0	0	0	0	0	112.8	K65	A63-K65 VanDerWaalsContact C-N 3.26Å; A63-K65 PolarHBondContact O-N 2.91Å
64	S	79.1	Confident	80.6	Confident	82 Å²	82	72.8 Å²	72.8	57%	0.573	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	10.3	174.3	-58.5	0	0	0	0	114.7	D62 K66	D62-S64 PolarHBondContact O-N 2.91Å; S64-K66 PolarHBondContact O-N 2.02Å
65	K	79.2	Confident	79.1	Confident	175 Å²	175	75.7 Å²	75.7	76%	0.761	40%	0.399	S	S	*	.	S	Bend	trans	54.1	35.5	-171.9	-59.1	-176.3	179.2	-179.8	0	113.6	D62 A63	D62-K65 WeakPolarHBondContact O-CA 3.36Å; D62-K65 PolarHBondContact O-N 3.39Å; A63-K65 VanDerWaalsContact C-N 3.26Å; A63-K65 PolarHBondContact O-N 2.91Å
66	K	82.9	Confident	77.4	Confident	144 Å²	144	76.8 Å²	76.8	63%	0.626	41%	0.411	S	S	*	.			trans	-108.1	135.1	175.9	-67.2	-177.3	-178.9	179.9	0	109.1	D62 S64 V68	D62-K66 PolarHBondContact N-O 3.15Å; S64-K66 PolarHBondContact O-N 2.02Å; K66-V68 PolarHBondContact O-N 3.01Å; K66-V68 VanDerWaalsContact O-N 3.15Å
67	C	86.2	Confident	75	Confident	10 Å²	10	77.7 Å²	77.7	7%	0.068	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	107	174.1	-61.5	0	0	0	0	109.9	N20 E21 C55 Y59 A60	N20-C67 HydrophobicContact CB-CB 4.12Å; E21-C67 HydrophobicContact CG-CB 4.39Å; E21-C67 WeakPolarHBondContact CG-SG 3.11Å; C55-C67 WeakPolarHBondContact CA-SG 3.23Å; C55-C67 HydrophobicContact CB-CB 3.77Å; C55-C67 WeakPolarHBondContact CB-SG 3.36Å; C55-C67 VanDerWaalsContact SG-CA 3.54Å; C55-C67 WeakPolarHBondContact SG-CB 3.32Å; C55-C67 CovalentContact SG-SG 2.03Å; C55-C67 PolarHBondContact SG-SG 3.02Å; Y59-C67 HydrophobicContact CD1-CB 4.41Å; A60-C67 WeakPolarHBondContact O-CA 2.94Å
68	V	84.1	Confident	73.1	Confident	38 Å²	38	75.3 Å²	75.3	23%	0.23	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	142.9	173.7	-64.1	0	0	0	0	108.9	C34 Y59 A60 D62 K66 E70	C34-V68 WeakPolarHBondContact SG-CG2 3.5Å; Y59-V68 CarbonylContact C-O 3.55Å; Y59-V68 VanDerWaalsContact CA-O 3.23Å; Y59-V68 WeakPolarHBondContact CA-O 3.4Å; Y59-V68 VanDerWaalsContact CD1-C 3.49Å; A60-V68 PolarHBondContact N-O 3.38Å; A60-V68 WeakPolarHBondContact O-CG2 3.27Å; A60-V68 PolarHBondContact O-N 3.44Å; D62-V68 HydrophobicContact CB-CG1 4.11Å; D62-V68 HydrophobicContact CB-CG2 3.99Å; K66-V68 PolarHBondContact O-N 3.01Å; K66-V68 VanDerWaalsContact O-N 3.15Å; V68-E70 PolarHBondContact O-N 2.81Å
69	P	85.8	Confident	70.9	Confident	36 Å²	36	81.3 Å²	81.3	23%	0.234	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	137.6	179.7	25	-31	0	0	0	109.5	G58 Y59 S71 K72	G58-P69 CarbonylContact O-C 3.22Å; G58-P69 VanDerWaalsContact O-CA 3.32Å; G58-P69 WeakPolarHBondContact O-CA 3.43Å; Y59-P69 HydrophobicContact CD1-CB 4.02Å; Y59-P69 VanDerWaalsContact CD1-N 3.33Å; Y59-P69 HydrophobicContact CE1-CB 3.84Å; Y59-P69 HydrophobicContact CE1-CG 4.17Å; Y59-P69 HydrophobicContact CG-CB 4.48Å; P69-S71 PolarHBondContact O-N 2.7Å; P69-K72 HydrophobicContact CG-CG 3.75Å; P69-K72 WeakPolarHBondContact O-CB 3.44Å; P69-K72 PolarHBondContact O-N 2.55Å
70	E	79.4	Confident	68.9	Low	59 Å²	59	84.4 Å²	84.4	28%	0.276	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.4	177.5	-67.2	-178.4	91.3	0	0	111.6	V37 G58 A60 V68 K72 L73 H74	V37-E70 HydrophobicContact CG2-CG 4.11Å; V37-E70 VanDerWaalsContact CG2-OE1 3.26Å; V37-E70 WeakPolarHBondContact CG2-OE1 3.47Å; G58-E70 WeakPolarHBondContact CA-OE2 3.15Å; G58-E70 PolarHBondContact N-OE2 3.37Å; G58-E70 PolarHBondContact O-N 3.07Å; A60-E70 HydrophobicContact CB-CG 4.13Å; V68-E70 PolarHBondContact O-N 2.81Å; E70-K72 PolarHBondContact O-N 3.37Å; E70-L73 HydrophobicContact CB-CD1 4.48Å; E70-L73 HydrophobicContact CG-CD1 4.47Å; E70-L73 WeakPolarHBondContact O-CA 3.46Å; E70-L73 VanDerWaalsContact O-CB 3.23Å; E70-L73 WeakPolarHBondContact O-CB 3.33Å; E70-L73 PolarHBondContact O-N 3.32Å; E70-H74 PolarHBondContact O-N 2.83Å
71	S	72.2	Confident	67	Low	53 Å²	53	88.6 Å²	88.6	37%	0.371	51%	0.511	S	S	.	.	H	α-helix	trans	-60.3	-32.6	173.9	58.5	0	0	0	0	113.8	P69 L73 H74 D75	P69-S71 PolarHBondContact O-N 2.7Å; S71-L73 PolarHBondContact O-N 2.8Å; S71-H74 WeakPolarHBondContact CA-CD2 3.19Å; S71-H74 WeakPolarHBondContact CA-NE2 3.41Å; S71-H74 VanDerWaalsContact CB-NE2 3.34Å; S71-H74 WeakPolarHBondContact CB-NE2 3.17Å; S71-H74 PolarHBondContact O-CD2 2.98Å; S71-H74 PolarHBondContact O-CE1 3.48Å; S71-H74 VanDerWaalsContact O-CG 3.28Å; S71-H74 PolarHBondContact O-N 3.14Å; S71-H74 PolarHBondContact O-ND1 3.16Å; S71-H74 VanDerWaalsContact O-ND1 3.13Å; S71-H74 PolarHBondContact O-NE2 3.48Å; S71-D75 WeakPolarHBondContact O-CB 3.23Å; S71-D75 PolarHBondContact O-N 2.9Å
72	K	70.6	Confident	65.2	Low	131 Å²	131	89.8 Å²	89.8	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-70.3	-15.2	174.2	-66.6	-72.1	-178.5	-174.5	0	113	P69 E70 D75 A76	P69-K72 HydrophobicContact CG-CG 3.75Å; P69-K72 WeakPolarHBondContact O-CB 3.44Å; P69-K72 PolarHBondContact O-N 2.55Å; E70-K72 PolarHBondContact O-N 3.37Å; K72-D75 CarbonylContact O-C 3.54Å; K72-A76 PolarHBondContact O-N 2.89Å
73	L	65.3	Low	63.3	Low	16 Å²	16	93.2 Å²	93.2	8%	0.084	55%	0.554	C	S	.	*	H	α-helix	trans	-82.6	-38.1	177.3	-60.7	170.4	0	0	0	112.4	C34 V37 A60 E70 S71 A76	C34-L73 HydrophobicContact CB-CD1 4.1Å; C34-L73 HydrophobicContact CB-CD2 3.36Å; C34-L73 HydrophobicContact CB-CG 4.36Å; C34-L73 WeakPolarHBondContact SG-CD2 3.22Å; V37-L73 HydrophobicContact CB-CD1 3.63Å; V37-L73 HydrophobicContact CG1-CB 4.47Å; V37-L73 HydrophobicContact CG1-CD1 3.8Å; V37-L73 HydrophobicContact CG2-CD1 3.84Å; A60-L73 HydrophobicContact CB-CD1 3.96Å; E70-L73 HydrophobicContact CB-CD1 4.48Å; E70-L73 HydrophobicContact CG-CD1 4.47Å; E70-L73 WeakPolarHBondContact O-CA 3.46Å; E70-L73 VanDerWaalsContact O-CB 3.23Å; E70-L73 WeakPolarHBondContact O-CB 3.33Å; E70-L73 PolarHBondContact O-N 3.32Å; S71-L73 PolarHBondContact O-N 2.8Å; L73-A76 WeakPolarHBondContact O-CB 3.44Å; L73-A76 PolarHBondContact O-N 3.27Å
74	H	59.7	Low	61.7	Low	136 Å²	136	95.9 Å²	95.9	63%	0.63	55%	0.548	S	S	*	.	H	α-helix	trans	-76.3	-31.9	170.6	68.8	64.9	0	0	0	111.5	E70 S71 A76	E70-H74 PolarHBondContact O-N 2.83Å; S71-H74 WeakPolarHBondContact CA-CD2 3.19Å; S71-H74 WeakPolarHBondContact CA-NE2 3.41Å; S71-H74 VanDerWaalsContact CB-NE2 3.34Å; S71-H74 WeakPolarHBondContact CB-NE2 3.17Å; S71-H74 PolarHBondContact O-CD2 2.98Å; S71-H74 PolarHBondContact O-CE1 3.48Å; S71-H74 VanDerWaalsContact O-CG 3.28Å; S71-H74 PolarHBondContact O-N 3.14Å; S71-H74 PolarHBondContact O-ND1 3.16Å; S71-H74 VanDerWaalsContact O-ND1 3.13Å; S71-H74 PolarHBondContact O-NE2 3.48Å; H74-A76 PolarHBondContact O-N 3.21Å
75	D	55.3	Low	59.8	Low	92 Å²	92	98 Å²	98	49%	0.492	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	14.3	171.9	-70.7	-43.9	0	0	0	112.8	S71 K72 C77	S71-D75 WeakPolarHBondContact O-CB 3.23Å; S71-D75 PolarHBondContact O-N 2.9Å; K72-D75 CarbonylContact O-C 3.54Å; D75-C77 CarbonylContact O-C 3.46Å; D75-C77 PolarHBondContact O-N 3.26Å
76	A	51.6	Low	58.5	Low	53 Å²	53	93.1 Å²	93.1	44%	0.438	53%	0.532	S	S	.	.			trans	-66.6	13.9	172.3	0	0	0	0	0	113.5	K72 L73 H74 I78	K72-A76 PolarHBondContact O-N 2.89Å; L73-A76 WeakPolarHBondContact O-CB 3.44Å; L73-A76 PolarHBondContact O-N 3.27Å; H74-A76 PolarHBondContact O-N 3.21Å; A76-I78 PolarHBondContact O-N 3.44Å
77	C	38.2	Very low	57.2	Low	113 Å²	113	97 Å²	97	76%	0.764	54%	0.543	S	S	*	.	S	Bend	trans	-80.8	91.6	152.5	-85.4	0	0	0	0	109.7	D75	D75-C77 CarbonylContact O-C 3.46Å; D75-C77 PolarHBondContact O-N 3.26Å
78	I	43.2	Very low	55.7	Low	151 Å²	151	102.5 Å²	102.5	77%	0.774	57%	0.572	S	S	*	*	S	Bend	trans	85	61.3	162.9	-33	-57.6	0	0	0	116.3	A76	A76-I78 PolarHBondContact O-N 3.44Å
79	F	37.6	Very low	54.3	Low	158 Å²	158	103.6 Å²	103.6	69%	0.693	58%	0.581	S	S	*	*			trans	-150.8	56.2	155.2	-143.1	-95.3	0	0	0	114
80	S	44.4	Very low	52.8	Low	131 Å²	131	104.8 Å²	104.8	92%	0.916	59%	0.589	S	S	*	*	S	Bend	trans	-117.2	91.6	160.1	-58.4	0	0	0	0	108
81	G	45.8	Very low	51.8	Low	88 Å²	88	110.6 Å²	110.6	91%	0.907	61%	0.614	S	S	*	*	S	Bend	trans	87.9	26.1	159	0	0	0	0	0	119.8
82	G	49.4	Very low	50.8	Low	53 Å²	53	110.4 Å²	110.4	55%	0.546	62%	0.62	S	S	.	*			trans	-151.2	98.1	177.2	0	0	0	0	0	115.1
83	T	41.8	Very low	50.2	Low	135 Å²	135	111.9 Å²	111.9	83%	0.828	64%	0.64	S	S	*	*			trans	16.5	97.3	159	50.5	0	0	0	0	118.6	R85	T83-R85 PolarHBondContact O-N 2.95Å
84	H	44.4	Very low	49.8	Very low	159 Å²	159	117.9 Å²	117.9	74%	0.736	67%	0.672	S	S	*	*			trans	26	66.7	135.1	-152.9	-93.2	0	0	0	116.3	S86	H84-S86 PolarHBondContact O-N 3.14Å; H84-S86 VanDerWaalsContact O-N 3.07Å
85	R	40.1	Very low	49.5	Very low	126 Å²	126	114.6 Å²	114.6	48%	0.475	66%	0.664	S	S	.	*			trans	-85.2	86.2	162.5	-158.7	158.8	-162.7	-152.4	-10.4	107.6	T83 S89 K91	T83-R85 PolarHBondContact O-N 2.95Å; R85-S89 WeakPolarHBondContact CD-O 3.35Å; R85-S89 VanDerWaalsContact CG-CB 3.48Å; R85-S89 VanDerWaalsContact CZ-OG 3.27Å; R85-S89 PolarHBondContact NE-O 3.44Å; R85-S89 PolarHBondContact NE-OG 3Å; R85-S89 PolarHBondContact NH1-O 3.3Å; R85-S89 PolarHBondContact NH2-O 2.96Å; R85-S89 PolarHBondContact NH2-OG 2.73Å; R85-K91 VanDerWaalsContact CZ-N 3.33Å; R85-K91 VanDerWaalsContact NH1-CB 3.25Å; R85-K91 VanDerWaalsContact NH1-N 3.15Å
86	S	51.5	Low	49.6	Very low	74 Å²	74	119 Å²	119	52%	0.517	68%	0.681	S	S	.	*			trans	-24.4	136.4	164.4	-178.8	0	0	0	0	110.8	H84 N88 S89	H84-S86 PolarHBondContact O-N 3.14Å; H84-S86 VanDerWaalsContact O-N 3.07Å; S86-N88 PolarHBondContact O-N 3.13Å; S86-S89 PolarHBondContact O-N 3.43Å; S86-S89 VanDerWaalsContact O-N 3.1Å
87	R	54.6	Low	49.6	Very low	224 Å²	224	119.9 Å²	119.9	85%	0.845	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.5	1.4	-172	-156.4	173	-80.3	168.7	-5.4	116.3
88	N	55.3	Low	50.3	Low	127 Å²	127	126.5 Å²	126.5	68%	0.679	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.8	24.6	-176.1	-61.7	2.8	0	0	0	114.8	S86	S86-N88 PolarHBondContact O-N 3.13Å
89	S	55.2	Low	50.5	Low	61 Å²	61	122.4 Å²	122.4	43%	0.427	68%	0.675	S	S	.	*			trans	-116.5	82.3	177.9	-160.1	0	0	0	0	112.1	R85 S86 K91	R85-S89 WeakPolarHBondContact CD-O 3.35Å; R85-S89 VanDerWaalsContact CG-CB 3.48Å; R85-S89 VanDerWaalsContact CZ-OG 3.27Å; R85-S89 PolarHBondContact NE-O 3.44Å; R85-S89 PolarHBondContact NE-OG 3Å; R85-S89 PolarHBondContact NH1-O 3.3Å; R85-S89 PolarHBondContact NH2-O 2.96Å; R85-S89 PolarHBondContact NH2-OG 2.73Å; S86-S89 PolarHBondContact O-N 3.43Å; S86-S89 VanDerWaalsContact O-N 3.1Å; S89-K91 PolarHBondContact O-N 2.78Å
90	C	54.4	Low	51.2	Low	60 Å²	60	125.5 Å²	125.5	41%	0.405	68%	0.682	S	S	.	*			trans	-60.8	106.9	157.1	-56.5	0	0	0	0	108.9	C95	C90-C95 HydrophobicContact CB-CB 3.48Å; C90-C95 VanDerWaalsContact CB-CB 3.48Å; C90-C95 WeakPolarHBondContact SG-CB 3.18Å
91	K	57.3	Low	51.4	Low	182 Å²	182	124.4 Å²	124.4	79%	0.791	67%	0.669	S	S	*	*			trans	-110.2	101.8	151.2	-120.2	102.4	166.3	-178.4	0	104.5	R85 S89	R85-K91 VanDerWaalsContact CZ-N 3.33Å; R85-K91 VanDerWaalsContact NH1-CB 3.25Å; R85-K91 VanDerWaalsContact NH1-N 3.15Å; S89-K91 PolarHBondContact O-N 2.78Å
92	G	50.5	Low	51.3	Low	49 Å²	49	127.1 Å²	127.1	51%	0.505	66%	0.661	S	S	.	*	S	Bend	trans	163.2	132.8	-177.8	0	0	0	0	0	106.3	N94	G92-N94 PolarHBondContact O-N 3.38Å; G92-N94 VanDerWaalsContact O-N 3.16Å
93	T	58.1	Low	51.1	Low	162 Å²	162	132.1 Å²	132.1	99%	0.994	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-1.5	179.4	46.3	0	0	0	0	112.8
94	N	57.1	Low	51.1	Low	141 Å²	141	130.3 Å²	130.3	75%	0.754	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.4	35.2	-179.1	-159.7	19.2	0	0	0	113.2	G92 H96	G92-N94 PolarHBondContact O-N 3.38Å; G92-N94 VanDerWaalsContact O-N 3.16Å; N94-H96 PolarHBondContact O-N 3.22Å
95	C	54	Low	51.1	Low	67 Å²	67	126.6 Å²	126.6	45%	0.453	66%	0.659	S	S	.	*			trans	-82.4	89.7	167.9	-73.5	0	0	0	0	109.8	C90 C97	C90-C95 HydrophobicContact CB-CB 3.48Å; C90-C95 VanDerWaalsContact CB-CB 3.48Å; C90-C95 WeakPolarHBondContact SG-CB 3.18Å; C95-C97 VanDerWaalsContact C-N 3.27Å; C95-C97 PolarHBondContact O-N 3.07Å
96	H	56.5	Low	51.4	Low	184 Å²	184	125.6 Å²	125.6	85%	0.852	67%	0.671	S	S	*	*			trans	-70.3	92.6	154.9	-91.4	-45.8	0	0	0	108.5	N94 R98	N94-H96 PolarHBondContact O-N 3.22Å; H96-R98 PolarHBondContact O-N 3.27Å
97	C	52.2	Low	51.4	Low	72 Å²	72	130.4 Å²	130.4	49%	0.486	69%	0.69	S	S	.	*			trans	-61.4	100.3	167.4	-112.3	0	0	0	0	108.4	C95 T99	C95-C97 VanDerWaalsContact C-N 3.27Å; C95-C97 PolarHBondContact O-N 3.07Å; C97-T99 WeakPolarHBondContact CB-OG1 3.35Å; C97-T99 PolarHBondContact O-N 3.44Å; C97-T99 PolarHBondContact SG-OG1 3.3Å
98	R	53.6	Low	51.3	Low	253 Å²	253	125.7 Å²	125.7	96%	0.955	69%	0.686	S	S	*	*			trans	-78.5	55.7	159.5	-165.2	163.6	167.7	-171.7	-4.3	108.6	H96 R100	H96-R98 PolarHBondContact O-N 3.27Å; R98-R100 PolarHBondContact O-N 2.85Å
99	T	47.5	Very low	51	Low	65 Å²	65	125.7 Å²	125.7	40%	0.399	69%	0.686	S	S	.	*			trans	-70.7	122.3	169.7	-49.7	0	0	0	0	105.6	C97 V101	C97-T99 WeakPolarHBondContact CB-OG1 3.35Å; C97-T99 PolarHBondContact O-N 3.44Å; C97-T99 PolarHBondContact SG-OG1 3.3Å; T99-V101 PolarHBondContact O-N 3.1Å
100	R	51.9	Low	50.6	Low	223 Å²	223	129.8 Å²	129.8	84%	0.842	70%	0.697	S	S	*	*			trans	-48.2	109.6	166.1	-88	-179.6	173.5	-150.4	-0.4	107.1	R98 I102	R98-R100 PolarHBondContact O-N 2.85Å; R100-I102 PolarHBondContact O-N 3Å
101	V	47.5	Very low	50.3	Low	108 Å²	108	134.9 Å²	134.9	66%	0.655	72%	0.72	S	S	*	*			trans	-65.4	82.2	168.8	-176.4	0	0	0	0	106.6	T99 F103	T99-V101 PolarHBondContact O-N 3.1Å; V101-F103 HydrophobicContact CB-CD2 4.33Å; V101-F103 HydrophobicContact CG1-CB 3.97Å; V101-F103 HydrophobicContact CG1-CD2 2.9Å; V101-F103 HydrophobicContact CG1-CE2 3.35Å; V101-F103 HydrophobicContact CG1-CG 3.63Å; V101-F103 HydrophobicContact CG1-CZ 4.42Å; V101-F103 HydrophobicContact CG2-CE2 4.49Å; V101-F103 PolarHBondContact O-N 2.61Å
102	I	45.3	Very low	50.2	Low	144 Å²	144	132.8 Å²	132.8	74%	0.738	71%	0.713	S	S	*	*			trans	-88.6	75.8	148.3	-53.8	-172.1	0	0	0	103.5	R100 A104	R100-I102 PolarHBondContact O-N 3Å; I102-A104 PolarHBondContact O-N 3.27Å
103	F	43.8	Very low	50.5	Low	159 Å²	159	136.3 Å²	136.3	70%	0.697	72%	0.724	S	S	*	*			trans	-64.5	95.3	157.5	-84.9	-56	0	0	0	105.4	V101 S105	V101-F103 HydrophobicContact CB-CD2 4.33Å; V101-F103 HydrophobicContact CG1-CB 3.97Å; V101-F103 HydrophobicContact CG1-CD2 2.9Å; V101-F103 HydrophobicContact CG1-CE2 3.35Å; V101-F103 HydrophobicContact CG1-CG 3.63Å; V101-F103 HydrophobicContact CG1-CZ 4.42Å; V101-F103 HydrophobicContact CG2-CE2 4.49Å; V101-F103 PolarHBondContact O-N 2.61Å; F103-S105 WeakPolarHBondContact CD1-OG 3.36Å; F103-S105 PolarHBondContact O-N 2.88Å
104	A	43.4	Very low	50.4	Low	96 Å²	96	135.4 Å²	135.4	79%	0.793	71%	0.71	S	S	*	*			trans	-61.9	84.1	142.2	0	0	0	0	0	106.1	I102	I102-A104 PolarHBondContact O-N 3.27Å
105	S	43.9	Very low	50.6	Low	81 Å²	81	134.6 Å²	134.6	57%	0.566	71%	0.71	S	S	*	*			trans	-146.5	81.7	172.9	-54.9	0	0	0	0	106.2	F103	F103-S105 WeakPolarHBondContact CD1-OG 3.36Å; F103-S105 PolarHBondContact O-N 2.88Å
106	S	45.1	Very low	50.4	Low	105 Å²	105	138.4 Å²	138.4	73%	0.734	72%	0.723	S	S	*	*			trans	47.5	120.7	154.9	-148.2	0	0	0	0	118.2	T108	S106-T108 PolarHBondContact O-N 3.24Å; S106-T108 PolarHBondContact O-OG1 3.18Å
107	L	51.6	Low	50.4	Low	176 Å²	176	135.4 Å²	135.4	92%	0.921	72%	0.72	S	S	*	*			trans	-40	102.8	157.9	-60.8	160.1	0	0	0	111.5
108	T	52.8	Low	50.3	Low	125 Å²	125	136.3 Å²	136.3	77%	0.767	73%	0.732	S	S	*	*			trans	-149.9	82.1	157	16.9	0	0	0	0	106	S106	S106-T108 PolarHBondContact O-N 3.24Å; S106-T108 PolarHBondContact O-OG1 3.18Å
109	D	49.2	Very low	50.9	Low	127 Å²	127	133.9 Å²	133.9	68%	0.679	75%	0.749	S	S	*	*				79.4	112.1	93.5	-156.1	-91.5	0	0	0	111.7
110	F	47.1	Very low	51	Low	147 Å²	147	137.3 Å²	137.3	65%	0.645	77%	0.767	S	S	*	*			trans	43.8	94.9	154.3	-71.6	-108.2	0	0	0	118	H112	F110-H112 HydrophobicContact CD1-CB 4.24Å; F110-H112 AromaticContact CD1-CD2 3.69Å; F110-H112 AromaticContact CE1-CD2 3.77Å
111	N	48.6	Very low	51	Low	167 Å²	167	132.8 Å²	132.8	89%	0.893	76%	0.763	S	S	*	*			trans	-107	76.5	135.6	-79.7	-88.1	0	0	0	107.8	V113	N111-V113 PolarHBondContact O-N 2.79Å; N111-V113 VanDerWaalsContact O-N 3.15Å
112	H	54	Low	51.2	Low	137 Å²	137	134.2 Å²	134.2	63%	0.634	77%	0.769	S	S	*	*			trans	-59.1	108.8	158.8	-131.1	-99.8	0	0	0	106.4	F110 M114	F110-H112 HydrophobicContact CD1-CB 4.24Å; F110-H112 AromaticContact CD1-CD2 3.69Å; F110-H112 AromaticContact CE1-CD2 3.77Å; H112-M114 VanDerWaalsContact C-N 3.35Å; H112-M114 PolarHBondContact O-N 2.97Å
113	V	57.1	Low	51.5	Low	123 Å²	123	133.6 Å²	133.6	75%	0.745	77%	0.771	S	S	*	*			trans	-66.4	101.8	166.2	137.1	0	0	0	0	106.5	N111 V115	N111-V113 PolarHBondContact O-N 2.79Å; N111-V113 VanDerWaalsContact O-N 3.15Å; V113-V115 HydrophobicContact CG1-CG2 3.6Å; V113-V115 PolarHBondContact O-N 3.16Å
114	M	56.2	Low	52	Low	143 Å²	143	132 Å²	132	70%	0.704	78%	0.775	S	S	*	*			trans	-78.4	94.3	170	-66.1	-104	-111.9	0	0	107.1	H112 M116	H112-M114 VanDerWaalsContact C-N 3.35Å; H112-M114 PolarHBondContact O-N 2.97Å; M114-M116 HydrophobicContact CB-CE 4.15Å; M114-M116 PolarHBondContact O-N 2.93Å
115	V	61.2	Low	52.6	Low	125 Å²	125	134.4 Å²	134.4	76%	0.758	77%	0.774	S	S	*	*			trans	-83.3	103.9	165.8	179.9	0	0	0	0	107.1	V113	V113-V115 HydrophobicContact CG1-CG2 3.6Å; V113-V115 PolarHBondContact O-N 3.16Å
116	M	50.1	Low	53.2	Low	147 Å²	147	138.2 Å²	138.2	72%	0.724	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-89.8	127.8	171.5	-46.7	-174	-167.3	0	0	108.1	M114 A118	M114-M116 HydrophobicContact CB-CE 4.15Å; M114-M116 PolarHBondContact O-N 2.93Å; M116-A118 PolarHBondContact O-N 3.22Å
117	P	56.7	Low	53.8	Low	121 Å²	121	140.8 Å²	140.8	79%	0.786	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-74.5	119	169.3	28.5	-29.7	0	0	0	109.1
118	A	49.2	Very low	54	Low	90 Å²	90	137.8 Å²	137.8	74%	0.744	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-73	139.7	163.7	0	0	0	0	0	108.8	M116	M116-A118 PolarHBondContact O-N 3.22Å
119	P	66.1	Low	54.1	Low	202 Å²	202	139 Å²	139	100%	1.312	78%	0.784	S	S	*	*			trans	-64.8	0	179.4	28	-35.1	0	0	0	113.6

Retrieved 119 of 119 residues in 513.7 ms (Link to these results)

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