A0A096NV16_PAPAN Loading...

Beta-defensin

Has antibacterial activity.

AlphaFold DB , UniProt , Accession A0A096NV16, Species PAPAN (Papio anubis, Olive baboon), Gene DEFB118, Length 123 aa.

						>A0A096NV16_PAPAN|A0A096NV16|DEFB118
MKLLLLALPILVLLPQVIPAYSGEKKCWNRSGHCRKQCKDGEAVKETCKNLRACCVPSNEDHRRLPTTSPTPLSDSTPGIIDNILTIRFTTDYFEISSKKDMVEESEAEQGTQTSPPNVHHTS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	60.1	Low	61.8	Low	204 Å²	204	125.8 Å²	125.8	100%	1.005	66%	0.661	S	S	*	*				0	5.8	0	-52.7	-51	-130.2	0	0	115.5
2	K	62.6	Low	62	Low	179 Å²	179	124 Å²	124	78%	0.778	66%	0.658	S	S	*	*			trans	-101.2	-26	-178.1	-78.1	160.9	171.9	168.7	0	114.3	L5	K2-L5 PolarHBondContact O-N 3.25Å
3	L	60.5	Low	61.8	Low	150 Å²	150	123.6 Å²	123.6	79%	0.785	66%	0.656	S	S	*	*	H	α-helix	trans	-68.1	-34.2	178	-68.4	170	0	0	0	112.9	L5 L6 A7	L3-L5 VanDerWaalsContact C-N 3.31Å; L3-L5 PolarHBondContact O-N 3.39Å; L3-L6 PolarHBondContact O-N 3.44Å; L3-A7 PolarHBondContact O-N 3.34Å
4	L	60.6	Low	61.6	Low	116 Å²	116	122.3 Å²	122.3	61%	0.607	65%	0.648	S	S	*	*	H	α-helix	trans	-63.6	-37.1	178.2	-69.2	169.3	0	0	0	111.9	L6 A7 L8	L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 3.42Å; L4-A7 PolarHBondContact O-N 3.34Å; L4-L8 WeakPolarHBondContact O-CD1 3.32Å; L4-L8 PolarHBondContact O-N 3.18Å
5	L	62.7	Low	61.5	Low	128 Å²	128	119.6 Å²	119.6	67%	0.67	64%	0.64	S	S	*	*	H	α-helix	trans	-69	-26	179.4	-64.6	172.5	0	0	0	112.8	K2 L3 P9	K2-L5 PolarHBondContact O-N 3.25Å; L3-L5 VanDerWaalsContact C-N 3.31Å; L3-L5 PolarHBondContact O-N 3.39Å; L5-P9 WeakPolarHBondContact O-CD 3.14Å
6	L	61.7	Low	61.2	Low	122 Å²	122	121.3 Å²	121.3	64%	0.639	64%	0.643	S	S	*	*	H	α-helix	trans	-86.7	-23.3	176.8	-74.6	167.4	0	0	0	113.1	L3 L4 P9	L3-L6 PolarHBondContact O-N 3.44Å; L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 3.42Å; L6-P9 WeakPolarHBondContact O-CD 3.47Å; L6-P9 WeakPolarHBondContact O-CG 3.43Å
7	A	61.7	Low	60.9	Low	54 Å²	54	121.2 Å²	121.2	45%	0.446	65%	0.648	S	S	.	*	H	α-helix	trans	-81.1	-32.4	179.4	0	0	0	0	0	113.3	L3 L4 I10 L11	L3-A7 PolarHBondContact O-N 3.34Å; L4-A7 PolarHBondContact O-N 3.34Å; A7-I10 PolarHBondContact O-N 3.35Å; A7-L11 PolarHBondContact O-N 3.23Å
8	L	61.4	Low	60.8	Low	119 Å²	119	121.6 Å²	121.6	62%	0.623	65%	0.649	S	S	*	*	H	α-helix	trans	-55.4	-48.3	178.3	-98.9	94.5	0	0	0	114.9	L4 I10 L11 V12	L4-L8 WeakPolarHBondContact O-CD1 3.32Å; L4-L8 PolarHBondContact O-N 3.18Å; L8-I10 VanDerWaalsContact C-N 3.29Å; L8-I10 PolarHBondContact O-N 3.28Å; L8-L11 PolarHBondContact O-N 3.31Å; L8-V12 WeakPolarHBondContact O-CG2 3.42Å; L8-V12 PolarHBondContact O-N 3.37Å
9	P	63.5	Low	60.2	Low	76 Å²	76	120.3 Å²	120.3	49%	0.494	65%	0.648	S	S	.	*	H	α-helix	trans	-67.6	-30.1	-177.7	24.4	-33.5	0	0	0	112.8	L5 L6 V12 L13	L5-P9 WeakPolarHBondContact O-CD 3.14Å; L6-P9 WeakPolarHBondContact O-CD 3.47Å; L6-P9 WeakPolarHBondContact O-CG 3.43Å; P9-V12 PolarHBondContact O-N 3.28Å; P9-L13 PolarHBondContact O-N 3.47Å
10	I	63.1	Low	59.7	Low	108 Å²	108	118.7 Å²	118.7	55%	0.554	65%	0.652	S	S	*	*	H	α-helix	trans	-68.2	-41.5	178.1	-58.4	173.1	0	0	0	110	A7 L8 V12 L13 L14	A7-I10 PolarHBondContact O-N 3.35Å; L8-I10 VanDerWaalsContact C-N 3.29Å; L8-I10 PolarHBondContact O-N 3.28Å; I10-V12 VanDerWaalsContact C-N 3.32Å; I10-V12 PolarHBondContact O-N 3.42Å; I10-L13 PolarHBondContact O-N 3.27Å; I10-L14 HydrophobicContact CG2-CD1 4.05Å; I10-L14 VanDerWaalsContact O-CD1 3.3Å; I10-L14 WeakPolarHBondContact O-CD1 3.3Å; I10-L14 VanDerWaalsContact O-CG 3.3Å; I10-L14 WeakPolarHBondContact O-CG 3.33Å; I10-L14 PolarHBondContact O-N 3.32Å
11	L	62.5	Low	59.5	Low	128 Å²	128	118.2 Å²	118.2	67%	0.67	64%	0.641	S	S	*	*	H	α-helix	trans	-69.4	-27.3	180	-158.1	65.9	0	0	0	113.4	A7 L8 L14 P15	A7-L11 PolarHBondContact O-N 3.23Å; L8-L11 PolarHBondContact O-N 3.31Å; L11-L14 HydrophobicContact CD1-CD1 4.42Å; L11-P15 WeakPolarHBondContact O-CD 3.35Å
12	V	63.2	Low	58.9	Low	104 Å²	104	114.1 Å²	114.1	63%	0.63	63%	0.632	S	S	*	*	H	α-helix	trans	-79.7	-24.3	176.5	175.2	0	0	0	0	112.5	L8 P9 I10 P15	L8-V12 WeakPolarHBondContact O-CG2 3.42Å; L8-V12 PolarHBondContact O-N 3.37Å; P9-V12 PolarHBondContact O-N 3.28Å; I10-V12 VanDerWaalsContact C-N 3.32Å; I10-V12 PolarHBondContact O-N 3.42Å; V12-P15 WeakPolarHBondContact O-CD 3.3Å
13	L	59.8	Low	58.5	Low	119 Å²	119	107.7 Å²	107.7	62%	0.623	62%	0.617	S	S	*	*	H	α-helix	trans	-88.3	-30.3	-178	-165.1	63.3	0	0	0	113.1	P9 I10 Q16	P9-L13 PolarHBondContact O-N 3.47Å; I10-L13 PolarHBondContact O-N 3.27Å; L13-Q16 PolarHBondContact O-N 3.41Å
14	L	58.5	Low	58.7	Low	105 Å²	105	104.7 Å²	104.7	55%	0.55	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-57.1	-34.3	179.2	-77	158.1	0	0	0	116	I10 L11 Q16	I10-L14 HydrophobicContact CG2-CD1 4.05Å; I10-L14 VanDerWaalsContact O-CD1 3.3Å; I10-L14 WeakPolarHBondContact O-CD1 3.3Å; I10-L14 VanDerWaalsContact O-CG 3.3Å; I10-L14 WeakPolarHBondContact O-CG 3.33Å; I10-L14 PolarHBondContact O-N 3.32Å; L11-L14 HydrophobicContact CD1-CD1 4.42Å; L14-Q16 PolarHBondContact O-N 3.23Å
15	P	60.6	Low	59.4	Low	82 Å²	82	104.2 Å²	104.2	53%	0.532	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-71	-13.6	-176.9	-18.8	31.9	0	0	0	114.7	L11 V12 V17	L11-P15 WeakPolarHBondContact O-CD 3.35Å; V12-P15 WeakPolarHBondContact O-CD 3.3Å; P15-V17 VanDerWaalsContact C-N 3.31Å; P15-V17 PolarHBondContact O-N 3.41Å
16	Q	56.3	Low	60.4	Low	147 Å²	147	104.5 Å²	104.5	69%	0.687	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-80.3	-9.9	-171.5	-57.9	-171.9	30.5	0	0	114.1	L13 L14	L13-Q16 PolarHBondContact O-N 3.41Å; L14-Q16 PolarHBondContact O-N 3.23Å
17	V	57.1	Low	61.7	Low	119 Å²	119	99.2 Å²	99.2	72%	0.721	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-99.6	-3.1	-176.7	-60.5	0	0	0	0	114.1	P15 P19	P15-V17 VanDerWaalsContact C-N 3.31Å; P15-V17 PolarHBondContact O-N 3.41Å; V17-P19 VanDerWaalsContact O-CD 3.24Å; V17-P19 WeakPolarHBondContact O-CD 3.24Å
18	I	58.5	Low	63	Low	129 Å²	129	102 Å²	102	66%	0.662	56%	0.56	S	S	*	*	S	Bend	trans	-78.8	113.8	166.9	-53.9	177.3	0	0	0	105.2	A20	I18-A20 PolarHBondContact O-N 2.71Å
19	P	50.1	Low	64.3	Low	97 Å²	97	103.7 Å²	103.7	63%	0.63	57%	0.57	S	S	*	*			trans	-66.4	95.5	170.6	-1.6	18.6	0	0	0	105	V17 Y21	V17-P19 VanDerWaalsContact O-CD 3.24Å; V17-P19 WeakPolarHBondContact O-CD 3.24Å; P19-Y21 HydrophobicContact CB-CD2 3.94Å; P19-Y21 PolarHBondContact O-N 2.72Å
20	A	50	Low	65.4	Low	88 Å²	88	109.4 Å²	109.4	73%	0.727	58%	0.582	S	S	*	*			trans	-64.4	74.5	152.8	0	0	0	0	0	105	I18 S22	I18-A20 PolarHBondContact O-N 2.71Å; A20-S22 PolarHBondContact O-N 2.64Å
21	Y	54.1	Low	66.6	Low	108 Å²	108	107.5 Å²	107.5	42%	0.424	58%	0.578	S	S	.	*			trans	-70.4	57.8	167.1	-124.6	-87.9	0	0	0	106.3	P19 G23 K25	P19-Y21 HydrophobicContact CB-CD2 3.94Å; P19-Y21 PolarHBondContact O-N 2.72Å; Y21-G23 PolarHBondContact O-N 2.73Å; Y21-K25 PolarHBondContact OH-NZ 2.95Å
22	S	49.5	Very low	67.9	Low	118 Å²	118	101.4 Å²	101.4	83%	0.825	55%	0.546	S	S	*	.			trans	-94.4	57	179.3	-167.7	0	0	0	0	107.7	A20	A20-S22 PolarHBondContact O-N 2.64Å
23	G	53	Low	69.3	Low	45 Å²	45	99.2 Å²	99.2	46%	0.464	53%	0.529	S	S	.	.	S	Bend	trans	-149.6	85.4	167.2	0	0	0	0	0	103.4	Y21 K25	Y21-G23 PolarHBondContact O-N 2.73Å; G23-K25 PolarHBondContact O-N 3.43Å
24	E	64.3	Low	70.8	Confident	87 Å²	87	94.3 Å²	94.3	41%	0.407	50%	0.504	S	S	.	.			trans	-55.1	97.5	171.9	-73.4	-179.2	161.4	0	0	106.6	K26 H33 R35	E24-K26 PolarHBondContact O-N 3.01Å; E24-K26 VanDerWaalsContact O-N 3.11Å; E24-H33 HydrophobicContact CB-CB 4.17Å; E24-H33 IonicContact OE2-CD2 2.95Å; E24-H33 IonicContact OE2-CG 3.05Å; E24-R35 VanDerWaalsContact CD-NH2 3.33Å; E24-R35 IonicContact OE1-CZ 3.01Å; E24-R35 IonicContact OE1-NH1 3.7Å; E24-R35 PolarHBondContact OE1-NH1 3.28Å; E24-R35 IonicContact OE1-NH2 3.81Å; E24-R35 PolarHBondContact OE1-NH2 3.11Å; E24-R35 IonicContact OE2-CZ 3.78Å; E24-R35 IonicContact OE2-NH2 2.64Å; E24-R35 PolarHBondContact OE2-NH2 2.75Å
25	K	74.9	Confident	72.3	Confident	106 Å²	106	91.4 Å²	91.4	46%	0.461	49%	0.486	S	S	.	.			trans	-59.1	123.3	176.8	-73.6	-179.1	178.5	170.4	0	105.5	Y21 G23 C34	Y21-K25 PolarHBondContact OH-NZ 2.95Å; G23-K25 PolarHBondContact O-N 3.43Å; K25-C34 PolarHBondContact O-N 2.03Å; K25-C34 PolarHBondContact O-SG 2.85Å
26	K	85.3	Confident	73.6	Confident	133 Å²	133	95.8 Å²	95.8	58%	0.578	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	137.8	174.2	-56.7	-171.4	175.9	-175.5	0	108.2	E24 R30 G32	E24-K26 PolarHBondContact O-N 3.01Å; E24-K26 VanDerWaalsContact O-N 3.11Å; K26-R30 HydrophobicContact CB-CB 4.27Å; K26-R30 HydrophobicContact CB-CG 4.39Å; K26-R30 HydrophobicContact CD-CB 3.95Å; K26-R30 HydrophobicContact CD-CG 4.34Å; K26-G32 CarbonylContact C-O 3.54Å; K26-G32 VanDerWaalsContact CA-O 3.26Å; K26-G32 WeakPolarHBondContact CA-O 3.46Å
27	C	89.1	Confident	75.1	Confident	12 Å²	12	96.9 Å²	96.9	8%	0.081	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	179.4	177.9	58.6	0	0	0	0	108.5	N29 R30 S31 G32 H33 C54	C27-N29 PolarHBondContact O-N 3.16Å; C27-R30 WeakPolarHBondContact O-CA 2.96Å; C27-R30 PolarHBondContact O-N 3.24Å; C27-R30 VanDerWaalsContact O-N 3.07Å; C27-S31 PolarHBondContact O-N 2.9Å; C27-G32 PolarHBondContact N-O 2.02Å; C27-G32 PolarHBondContact O-N 3.29Å; C27-G32 VanDerWaalsContact O-N 3.08Å; C27-H33 PolarHBondContact SG-N 3.39Å; C27-C54 HydrophobicContact CB-CB 3.75Å; C27-C54 WeakPolarHBondContact CB-SG 3.07Å; C27-C54 WeakPolarHBondContact SG-CA 3.24Å; C27-C54 WeakPolarHBondContact SG-CB 3.26Å; C27-C54 CovalentContact SG-SG 2.01Å; C27-C54 PolarHBondContact SG-SG 2.91Å
28	W	88.4	Confident	76.6	Confident	113 Å²	113	93 Å²	93	43%	0.428	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	67.6	178.3	-168.1	-110.5	0	0	0	114.1	R30 S31 K45 E46 V56	W28-R30 PolarHBondContact O-N 2.93Å; W28-R30 VanDerWaalsContact O-N 3.09Å; W28-S31 WeakPolarHBondContact O-CB 3.02Å; W28-S31 PolarHBondContact O-N 3.46Å; W28-K45 HydrophobicContact CD2-CB 4.35Å; W28-K45 HydrophobicContact CD2-CD 4.43Å; W28-K45 HydrophobicContact CD2-CG 3.42Å; W28-K45 VanDerWaalsContact CD2-CG 3.42Å; W28-K45 HydrophobicContact CE3-CB 4.38Å; W28-K45 HydrophobicContact CE3-CD 4.32Å; W28-K45 HydrophobicContact CE3-CG 3.32Å; W28-K45 HydrophobicContact CG-CG 4.04Å; W28-K45 HydrophobicContact CH2-CD 4.14Å; W28-K45 HydrophobicContact CH2-CG 4.01Å; W28-K45 HydrophobicContact CZ2-CD 4.22Å; W28-K45 HydrophobicContact CZ2-CG 4.07Å; W28-K45 HydrophobicContact CZ3-CD 4.17Å; W28-K45 VanDerWaalsContact CZ3-CE 3.5Å; W28-K45 HydrophobicContact CZ3-CG 3.62Å; W28-E46 PolarHBondContact N-OE1 3.33Å; W28-V56 HydrophobicContact CB-CG2 3.67Å; W28-V56 HydrophobicContact CG-CG2 3.74Å
29	N	88.3	Confident	78.1	Confident	153 Å²	153	92.8 Å²	92.8	82%	0.818	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	38.4	-177.2	-164.2	23.9	0	0	0	114.4	C27 S31	C27-N29 PolarHBondContact O-N 3.16Å; N29-S31 PolarHBondContact O-N 2.94Å
30	R	86.2	Confident	80	Confident	196 Å²	196	96.3 Å²	96.3	74%	0.74	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	6.6	-177.5	-53.1	-179	174.9	-164.6	-0.9	116.1	K26 C27 W28	K26-R30 HydrophobicContact CB-CB 4.27Å; K26-R30 HydrophobicContact CB-CG 4.39Å; K26-R30 HydrophobicContact CD-CB 3.95Å; K26-R30 HydrophobicContact CD-CG 4.34Å; C27-R30 WeakPolarHBondContact O-CA 2.96Å; C27-R30 PolarHBondContact O-N 3.24Å; C27-R30 VanDerWaalsContact O-N 3.07Å; W28-R30 PolarHBondContact O-N 2.93Å; W28-R30 VanDerWaalsContact O-N 3.09Å
31	S	88.3	Confident	81.7	Confident	68 Å²	68	94.9 Å²	94.9	48%	0.476	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-10.9	177.9	-56	0	0	0	0	113.3	C27 W28 N29 P57	C27-S31 PolarHBondContact O-N 2.9Å; W28-S31 WeakPolarHBondContact O-CB 3.02Å; W28-S31 PolarHBondContact O-N 3.46Å; N29-S31 PolarHBondContact O-N 2.94Å; S31-P57 WeakPolarHBondContact O-CD 3.19Å
32	G	91.5	Very high	83.5	Confident	0 Å²	0	92 Å²	92	0%	0	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	169.9	179.4	0	0	0	0	0	114.3	K26 C27 C55	K26-G32 CarbonylContact C-O 3.54Å; K26-G32 VanDerWaalsContact CA-O 3.26Å; K26-G32 WeakPolarHBondContact CA-O 3.46Å; C27-G32 PolarHBondContact N-O 2.02Å; C27-G32 PolarHBondContact O-N 3.29Å; C27-G32 VanDerWaalsContact O-N 3.08Å; G32-C55 CarbonylContact C-O 3.47Å; G32-C55 WeakPolarHBondContact CA-O 2.96Å
33	H	92.5	Very high	85.4	Confident	59 Å²	59	88.6 Å²	88.6	27%	0.273	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.5	176.8	-64.6	87.4	0	0	0	111.4	E24 C27 R35 C55	E24-H33 HydrophobicContact CB-CB 4.17Å; E24-H33 IonicContact OE2-CD2 2.95Å; E24-H33 IonicContact OE2-CG 3.05Å; C27-H33 PolarHBondContact SG-N 3.39Å; H33-R35 PolarHBondContact O-N 2.79Å; H33-C55 PolarHBondContact N-O 3.01Å; H33-C55 PolarHBondContact O-N 2.88Å
34	C	90.9	Very high	87.3	Confident	15 Å²	15	89.9 Å²	89.9	10%	0.101	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	110.5	177	-61	0	0	0	0	112.1	K25 C48 R52 A53	K25-C34 PolarHBondContact O-N 2.03Å; K25-C34 PolarHBondContact O-SG 2.85Å; C34-C48 VanDerWaalsContact CA-SG 3.57Å; C34-C48 HydrophobicContact CB-CB 3.57Å; C34-C48 WeakPolarHBondContact CB-SG 3.37Å; C34-C48 WeakPolarHBondContact SG-CB 3.03Å; C34-C48 CovalentContact SG-SG 2.02Å; C34-C48 PolarHBondContact SG-SG 3.46Å; C34-R52 HydrophobicContact CB-CB 4.42Å; C34-A53 CarbonylContact C-O 3.54Å; C34-A53 WeakPolarHBondContact CA-O 3.45Å
35	R	88.8	Confident	88.6	Confident	45 Å²	45	91.4 Å²	91.4	17%	0.17	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	162.8	178.3	-56.6	-180	177.2	-66.3	-21.1	111	E24 H33 Q37 E42 R52 A53	E24-R35 VanDerWaalsContact CD-NH2 3.33Å; E24-R35 IonicContact OE1-CZ 3.01Å; E24-R35 IonicContact OE1-NH1 3.7Å; E24-R35 PolarHBondContact OE1-NH1 3.28Å; E24-R35 IonicContact OE1-NH2 3.81Å; E24-R35 PolarHBondContact OE1-NH2 3.11Å; E24-R35 IonicContact OE2-CZ 3.78Å; E24-R35 IonicContact OE2-NH2 2.64Å; E24-R35 PolarHBondContact OE2-NH2 2.75Å; H33-R35 PolarHBondContact O-N 2.79Å; R35-Q37 WeakPolarHBondContact CB-O 3.18Å; R35-E42 IonicContact NE-OE1 3.63Å; R35-E42 IonicContact NE-OE2 3.74Å; R35-R52 CarbonylContact O-C 3.52Å; R35-R52 WeakPolarHBondContact O-CA 3.23Å; R35-R52 VanDerWaalsContact O-CB 3.24Å; R35-R52 WeakPolarHBondContact O-CB 3.48Å; R35-A53 PolarHBondContact N-O 2.72Å; R35-A53 PolarHBondContact O-N 2.99Å
36	K	89.5	Confident	89.2	Confident	174 Å²	174	90.4 Å²	90.4	76%	0.757	45%	0.451	S	S	*	.	S	Bend	trans	-69.9	-39.3	169.6	-73.4	-176.6	176.6	-176.7	0	111.2	R52	K36-R52 HydrophobicContact CG-CG 4.5Å
37	Q	86.9	Confident	89.4	Confident	169 Å²	169	88.2 Å²	88.2	79%	0.79	45%	0.449	S	S	*	.	S	Bend	trans	-137.4	144.4	173.6	-69.1	-174.2	-16.7	0	0	108.5	R35	R35-Q37 WeakPolarHBondContact CB-O 3.18Å
38	C	89.3	Confident	89.4	Confident	37 Å²	37	88.5 Å²	88.5	25%	0.25	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-79.5	153.6	175.8	-59.1	0	0	0	0	110.8	E42 V44 C55	C38-E42 HydrophobicContact CB-CB 4Å; C38-V44 HydrophobicContact CB-CG2 4.47Å; C38-V44 VanDerWaalsContact SG-CG2 3.53Å; C38-C55 WeakPolarHBondContact CA-SG 3.37Å; C38-C55 HydrophobicContact CB-CB 3.71Å; C38-C55 WeakPolarHBondContact CB-SG 3.24Å; C38-C55 VanDerWaalsContact SG-CA 3.51Å; C38-C55 WeakPolarHBondContact SG-CB 2.97Å; C38-C55 CovalentContact SG-SG 2.03Å; C38-C55 PolarHBondContact SG-SG 3.35Å
39	K	90.2	Very high	89.3	Confident	126 Å²	126	90.9 Å²	90.9	55%	0.548	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-80.6	162.9	175.4	-62.5	177.4	179.9	177.4	0	110.3	G41 E42	K39-G41 PolarHBondContact O-N 3.32Å; K39-E42 HydrophobicContact CB-CG 4.3Å; K39-E42 PolarHBondContact N-OE2 3.48Å; K39-E42 WeakPolarHBondContact O-CB 3.01Å; K39-E42 PolarHBondContact O-N 2.97Å
40	D	89	Confident	89.1	Confident	171 Å²	171	88.6 Å²	88.6	91%	0.914	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	134.1	170.3	-59.7	-53.5	0	0	0	110.5	E42	D40-E42 VanDerWaalsContact C-N 3.31Å
41	G	86.6	Confident	88.8	Confident	58 Å²	58	84.6 Å²	84.6	60%	0.598	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	6.8	-175	0	0	0	0	0	114.7	K39 S58	K39-G41 PolarHBondContact O-N 3.32Å; G41-S58 WeakPolarHBondContact O-CB 3.35Å; G41-S58 PolarHBondContact O-N 3.07Å
42	E	91.5	Very high	88.9	Confident	46 Å²	46	84.2 Å²	84.2	22%	0.215	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	146	167.4	-63.7	178.4	156.6	0	0	110.7	R35 C38 K39 D40 C55 V56	R35-E42 IonicContact NE-OE1 3.63Å; R35-E42 IonicContact NE-OE2 3.74Å; C38-E42 HydrophobicContact CB-CB 4Å; K39-E42 HydrophobicContact CB-CG 4.3Å; K39-E42 PolarHBondContact N-OE2 3.48Å; K39-E42 WeakPolarHBondContact O-CB 3.01Å; K39-E42 PolarHBondContact O-N 2.97Å; D40-E42 VanDerWaalsContact C-N 3.31Å; E42-C55 HydrophobicContact CB-CB 4.19Å; E42-C55 VanDerWaalsContact OE2-CB 3.24Å; E42-C55 WeakPolarHBondContact OE2-CB 3.33Å; E42-V56 CarbonylContact C-O 3.48Å; E42-V56 VanDerWaalsContact CA-O 3.3Å; E42-V56 WeakPolarHBondContact CA-O 3.39Å
43	A	90	Very high	88.9	Confident	47 Å²	47	84.7 Å²	84.7	39%	0.388	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141	172.6	0	0	0	0	0	110.9	V56	A43-V56 PolarHBondContact N-O 3.09Å; A43-V56 PolarHBondContact O-N 3.2Å
44	V	91.6	Very high	88.9	Confident	73 Å²	73	81.9 Å²	81.9	44%	0.442	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	125.3	170.8	-179.7	0	0	0	0	108.7	C38 A53	C38-V44 HydrophobicContact CB-CG2 4.47Å; C38-V44 VanDerWaalsContact SG-CG2 3.53Å; V44-A53 HydrophobicContact CG1-CB 4.05Å; V44-A53 HydrophobicContact CG2-CB 4.22Å
45	K	91.3	Very high	89	Confident	119 Å²	119	81.1 Å²	81.1	52%	0.517	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-41.1	-177.3	-167.2	54.6	170.9	-178.3	0	115.5	W28 C54 V56	W28-K45 HydrophobicContact CD2-CB 4.35Å; W28-K45 HydrophobicContact CD2-CD 4.43Å; W28-K45 HydrophobicContact CD2-CG 3.42Å; W28-K45 VanDerWaalsContact CD2-CG 3.42Å; W28-K45 HydrophobicContact CE3-CB 4.38Å; W28-K45 HydrophobicContact CE3-CD 4.32Å; W28-K45 HydrophobicContact CE3-CG 3.32Å; W28-K45 HydrophobicContact CG-CG 4.04Å; W28-K45 HydrophobicContact CH2-CD 4.14Å; W28-K45 HydrophobicContact CH2-CG 4.01Å; W28-K45 HydrophobicContact CZ2-CD 4.22Å; W28-K45 HydrophobicContact CZ2-CG 4.07Å; W28-K45 HydrophobicContact CZ3-CD 4.17Å; W28-K45 VanDerWaalsContact CZ3-CE 3.5Å; W28-K45 HydrophobicContact CZ3-CG 3.62Å; K45-C54 PolarHBondContact N-O 3.25Å; K45-V56 HydrophobicContact CB-CG2 4.09Å
46	E	88.3	Confident	89.2	Confident	84 Å²	84	79.9 Å²	79.9	39%	0.393	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	167.5	179.8	62.4	-177.8	173.5	0	0	109.9	W28 C54	W28-E46 PolarHBondContact N-OE1 3.33Å; E46-C54 HydrophobicContact CB-CB 4.44Å; E46-C54 HydrophobicContact CG-CB 3.4Å; E46-C54 WeakPolarHBondContact O-CB 3.35Å; E46-C54 PolarHBondContact O-N 3.08Å
47	T	89.6	Confident	89.3	Confident	87 Å²	87	75.4 Å²	75.4	53%	0.534	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	124.8	175	-49.4	0	0	0	0	109.9	R52	T47-R52 CarbonylContact C-O 3.59Å; T47-R52 WeakPolarHBondContact CA-O 3.48Å; T47-R52 WeakPolarHBondContact CG2-O 3.5Å
48	C	89.1	Confident	89.1	Confident	18 Å²	18	69.6 Å²	69.6	12%	0.122	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	168	171.4	-66.1	0	0	0	0	112.1	C34 L51 R52	C34-C48 VanDerWaalsContact CA-SG 3.57Å; C34-C48 HydrophobicContact CB-CB 3.57Å; C34-C48 WeakPolarHBondContact CB-SG 3.37Å; C34-C48 WeakPolarHBondContact SG-CB 3.03Å; C34-C48 CovalentContact SG-SG 2.02Å; C34-C48 PolarHBondContact SG-SG 3.46Å; C48-L51 PolarHBondContact O-N 3.26Å; C48-R52 HydrophobicContact CB-CB 3.95Å; C48-R52 WeakPolarHBondContact CB-O 3.38Å; C48-R52 PolarHBondContact N-O 2.01Å; C48-R52 PolarHBondContact O-N 3.41Å
49	K	85.4	Confident	88.2	Confident	163 Å²	163	74.9 Å²	74.9	71%	0.709	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	145.7	169.6	-60.2	-171.2	-179.3	-168.5	0	111
50	N	84.3	Confident	86.7	Confident	106 Å²	106	76.3 Å²	76.3	57%	0.567	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	34.5	-175.8	-46.2	-61	0	0	0	114	R52	N50-R52 PolarHBondContact O-N 3.36Å; N50-R52 VanDerWaalsContact O-N 3.16Å
51	L	81.4	Confident	84.7	Confident	111 Å²	111	75.1 Å²	75.1	58%	0.581	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	36.7	174.3	-72.7	66.8	0	0	0	112.7	C48	C48-L51 PolarHBondContact O-N 3.26Å
52	R	88.8	Confident	82.9	Confident	61 Å²	61	79.7 Å²	79.7	23%	0.23	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	150.4	174.5	-73.2	-175.4	-174.5	-149	4	109.4	C34 R35 K36 T47 C48 N50	C34-R52 HydrophobicContact CB-CB 4.42Å; R35-R52 CarbonylContact O-C 3.52Å; R35-R52 WeakPolarHBondContact O-CA 3.23Å; R35-R52 VanDerWaalsContact O-CB 3.24Å; R35-R52 WeakPolarHBondContact O-CB 3.48Å; K36-R52 HydrophobicContact CG-CG 4.5Å; T47-R52 CarbonylContact C-O 3.59Å; T47-R52 WeakPolarHBondContact CA-O 3.48Å; T47-R52 WeakPolarHBondContact CG2-O 3.5Å; C48-R52 HydrophobicContact CB-CB 3.95Å; C48-R52 WeakPolarHBondContact CB-O 3.38Å; C48-R52 PolarHBondContact N-O 2.01Å; C48-R52 PolarHBondContact O-N 3.41Å; N50-R52 PolarHBondContact O-N 3.36Å; N50-R52 VanDerWaalsContact O-N 3.16Å
53	A	91.3	Very high	80.6	Confident	9 Å²	9	88 Å²	88	7%	0.074	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	136.9	171.6	0	0	0	0	0	110.7	C34 R35 V44 C55	C34-A53 CarbonylContact C-O 3.54Å; C34-A53 WeakPolarHBondContact CA-O 3.45Å; R35-A53 PolarHBondContact N-O 2.72Å; R35-A53 PolarHBondContact O-N 2.99Å; V44-A53 HydrophobicContact CG1-CB 4.05Å; V44-A53 HydrophobicContact CG2-CB 4.22Å; A53-C55 PolarHBondContact O-N 2.79Å
54	C	92.6	Very high	78.4	Confident	0 Å²	0	95 Å²	95	0%	0	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	109.8	162.4	179.5	0	0	0	0	109.1	C27 K45 E46	C27-C54 HydrophobicContact CB-CB 3.75Å; C27-C54 WeakPolarHBondContact CB-SG 3.07Å; C27-C54 WeakPolarHBondContact SG-CA 3.24Å; C27-C54 WeakPolarHBondContact SG-CB 3.26Å; C27-C54 CovalentContact SG-SG 2.01Å; C27-C54 PolarHBondContact SG-SG 2.91Å; K45-C54 PolarHBondContact N-O 3.25Å; E46-C54 HydrophobicContact CB-CB 4.44Å; E46-C54 HydrophobicContact CG-CB 3.4Å; E46-C54 WeakPolarHBondContact O-CB 3.35Å; E46-C54 PolarHBondContact O-N 3.08Å
55	C	93.2	Very high	76	Confident	0 Å²	0	98.1 Å²	98.1	0%	0	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.3	-178.2	-52.7	0	0	0	0	109.9	G32 H33 C38 E42 A53	G32-C55 CarbonylContact C-O 3.47Å; G32-C55 WeakPolarHBondContact CA-O 2.96Å; H33-C55 PolarHBondContact N-O 3.01Å; H33-C55 PolarHBondContact O-N 2.88Å; C38-C55 WeakPolarHBondContact CA-SG 3.37Å; C38-C55 HydrophobicContact CB-CB 3.71Å; C38-C55 WeakPolarHBondContact CB-SG 3.24Å; C38-C55 VanDerWaalsContact SG-CA 3.51Å; C38-C55 WeakPolarHBondContact SG-CB 2.97Å; C38-C55 CovalentContact SG-SG 2.03Å; C38-C55 PolarHBondContact SG-SG 3.35Å; E42-C55 HydrophobicContact CB-CB 4.19Å; E42-C55 VanDerWaalsContact OE2-CB 3.24Å; E42-C55 WeakPolarHBondContact OE2-CB 3.33Å; A53-C55 PolarHBondContact O-N 2.79Å
56	V	93.6	Very high	73.5	Confident	19 Å²	19	97.3 Å²	97.3	12%	0.115	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.3	-180	-177	0	0	0	0	108	W28 E42 A43 K45 S58	W28-V56 HydrophobicContact CB-CG2 3.67Å; W28-V56 HydrophobicContact CG-CG2 3.74Å; E42-V56 CarbonylContact C-O 3.48Å; E42-V56 VanDerWaalsContact CA-O 3.3Å; E42-V56 WeakPolarHBondContact CA-O 3.39Å; A43-V56 PolarHBondContact N-O 3.09Å; A43-V56 PolarHBondContact O-N 3.2Å; K45-V56 HydrophobicContact CB-CG2 4.09Å; V56-S58 PolarHBondContact O-N 3.46Å
57	P	90.9	Very high	71.2	Confident	79 Å²	79	99.8 Å²	99.8	51%	0.513	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	127	173.7	-24.4	34	0	0	0	110.5	S31 N59	S31-P57 WeakPolarHBondContact O-CD 3.19Å; P57-N59 PolarHBondContact O-N 2.73Å
58	S	83.8	Confident	68.8	Low	48 Å²	48	101.8 Å²	101.8	34%	0.336	52%	0.516	S	S	.	.			trans	-74.5	116.3	172.9	-172.7	0	0	0	0	108	G41 V56 E60	G41-S58 WeakPolarHBondContact O-CB 3.35Å; G41-S58 PolarHBondContact O-N 3.07Å; V56-S58 PolarHBondContact O-N 3.46Å; S58-E60 PolarHBondContact O-N 2.97Å; S58-E60 WeakPolarHBondContact OG-CB 3.37Å; S58-E60 WeakPolarHBondContact OG-CG 3.24Å; S58-E60 PolarHBondContact OG-N 2.7Å
59	N	69.3	Low	66.3	Low	148 Å²	148	105.9 Å²	105.9	79%	0.791	55%	0.545	S	S	*	.			trans	-79.3	20	170.5	45.9	-73	0	0	0	112.3	P57 D61	P57-N59 PolarHBondContact O-N 2.73Å; N59-D61 PolarHBondContact O-N 3.26Å
60	E	58.7	Low	64.9	Low	156 Å²	156	103.2 Å²	103.2	73%	0.729	54%	0.544	S	S	*	.			trans	-65.1	87.6	163.1	-62.2	-65.4	128.9	0	0	107.5	S58 H62	S58-E60 PolarHBondContact O-N 2.97Å; S58-E60 WeakPolarHBondContact OG-CB 3.37Å; S58-E60 WeakPolarHBondContact OG-CG 3.24Å; S58-E60 PolarHBondContact OG-N 2.7Å; E60-H62 PolarHBondContact O-N 3.23Å
61	D	46.9	Very low	62.5	Low	145 Å²	145	104.5 Å²	104.5	78%	0.775	56%	0.556	S	S	*	*			trans	-39.6	134.2	161.6	-172.3	8.5	0	0	0	107.8	N59 R63	N59-D61 PolarHBondContact O-N 3.26Å; D61-R63 PolarHBondContact O-N 2.85Å
62	H	50.5	Low	60.5	Low	154 Å²	154	104.4 Å²	104.4	71%	0.713	56%	0.562	S	S	*	*			trans	-56.8	90.1	-177.2	-69.5	-71.4	0	0	0	109.8	E60 R64	E60-H62 PolarHBondContact O-N 3.23Å; H62-R64 HydrophobicContact CB-CG 3.97Å; H62-R64 PolarHBondContact O-N 3.49Å
63	R	42.7	Very low	58.4	Low	222 Å²	222	108.7 Å²	108.7	84%	0.838	59%	0.589	S	S	*	*			trans	-72.6	72.5	148.5	-150.8	178.1	-171.2	-114.7	1.8	105.1	D61 L65	D61-R63 PolarHBondContact O-N 2.85Å; R63-L65 PolarHBondContact O-N 3.47Å
64	R	44.5	Very low	55.8	Low	194 Å²	194	113.9 Å²	113.9	73%	0.732	62%	0.624	S	S	*	*			trans	-47.5	104.1	153.7	-69.8	-129	-179	-161.8	0.7	104.3	H62 P66	H62-R64 HydrophobicContact CB-CG 3.97Å; H62-R64 PolarHBondContact O-N 3.49Å; R64-P66 WeakPolarHBondContact O-CD 3.35Å; R64-P66 VanDerWaalsContact O-N 3.15Å
65	L	41.1	Very low	53.3	Low	137 Å²	137	120.1 Å²	120.1	72%	0.717	66%	0.658	S	S	*	*			trans	-57	121.6	161.5	-159.1	69.6	0	0	0	104.4	R63 T67	R63-L65 PolarHBondContact O-N 3.47Å; L65-T67 PolarHBondContact O-N 3.09Å
66	P	38.7	Very low	50.9	Low	102 Å²	102	125.1 Å²	125.1	66%	0.662	69%	0.693	S	S	*	*			trans	-53.3	127.7	-171.7	-24.6	31.8	0	0	0	109.9	R64 T68	R64-P66 WeakPolarHBondContact O-CD 3.35Å; R64-P66 VanDerWaalsContact O-N 3.15Å; P66-T68 PolarHBondContact O-N 3.14Å
67	T	39.8	Very low	48.5	Very low	136 Å²	136	128.4 Å²	128.4	83%	0.834	71%	0.713	S	S	*	*			trans	-65.2	100.8	169.2	-59.6	0	0	0	0	108.2	L65	L65-T67 PolarHBondContact O-N 3.09Å
68	T	39.3	Very low	46.4	Very low	130 Å²	130	130.3 Å²	130.3	80%	0.798	73%	0.726	S	S	*	*			trans	-116.9	114.9	160.7	-4.1	0	0	0	0	107.9	P66	P66-T68 PolarHBondContact O-N 3.14Å
69	S	35.8	Very low	44.7	Very low	104 Å²	104	129.5 Å²	129.5	73%	0.727	72%	0.724	S	S	*	*			trans	-81.8	160.9	171.4	163.8	0	0	0	0	110.4
70	P	55.7	Low	43.8	Very low	106 Å²	106	127.2 Å²	127.2	69%	0.688	71%	0.711	S	S	*	*			cis	-124.6	175.7	-35.6	34.3	-17.9	0	0	0	112.6
71	T	33.3	Very low	43.6	Very low	133 Å²	133	126.2 Å²	126.2	82%	0.816	71%	0.71	S	S	*	*			trans	99.6	139.1	163.3	-32.2	0	0	0	0	117.2
72	P	40.4	Very low	44	Very low	110 Å²	110	124.3 Å²	124.3	71%	0.714	70%	0.699	S	S	*	*			cis	-120.3	152.9	-44.3	36.1	-20.6	0	0	0	112.6
73	L	45.2	Very low	44.2	Very low	150 Å²	150	121.8 Å²	121.8	79%	0.785	69%	0.691	S	S	*	*			trans	24.4	102	152.6	-159.8	67.7	0	0	0	118.1
74	S	35.7	Very low	45.1	Very low	118 Å²	118	115.7 Å²	115.7	83%	0.825	67%	0.674	S	S	*	*			trans	-125.8	97.1	146.7	-75.7	0	0	0	0	107.5	S76	S74-S76 PolarHBondContact O-N 3Å
75	D	39.6	Very low	46.1	Very low	131 Å²	131	110 Å²	110	70%	0.701	66%	0.658	S	S	*	*			trans	-50.2	112.8	168.9	-118.9	-22.2	0	0	0	109.2
76	S	43.9	Very low	47.1	Very low	106 Å²	106	107.4 Å²	107.4	74%	0.741	65%	0.648	S	S	*	*			trans	-142.3	90.6	162.7	-71	0	0	0	0	107.1	S74 P78	S74-S76 PolarHBondContact O-N 3Å; S76-P78 WeakPolarHBondContact O-CD 3.34Å
77	T	43.9	Very low	48.4	Very low	87 Å²	87	107.2 Å²	107.2	53%	0.534	64%	0.64	S	S	.	*			trans	-45	113.3	-176.1	-37.7	0	0	0	0	111.5	G79	T77-G79 PolarHBondContact O-N 3.24Å
78	P	45.5	Very low	49.8	Very low	120 Å²	120	108.9 Å²	108.9	78%	0.779	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-10.1	176.2	-19.1	30.4	0	0	0	113.7	S76	S76-P78 WeakPolarHBondContact O-CD 3.34Å
79	G	48.8	Very low	51	Low	30 Å²	30	106.1 Å²	106.1	31%	0.309	61%	0.608	S	S	.	*	H	α-helix	trans	-85.6	-6.5	-174	0	0	0	0	0	116.3	T77 N83	T77-G79 PolarHBondContact O-N 3.24Å; G79-N83 WeakPolarHBondContact O-CB 3.02Å; G79-N83 VanDerWaalsContact O-CG 3.25Å; G79-N83 PolarHBondContact O-N 3.35Å; G79-N83 PolarHBondContact O-OD1 2.97Å; G79-N83 VanDerWaalsContact O-OD1 3.09Å
80	I	50.9	Low	52.3	Low	101 Å²	101	104.3 Å²	104.3	52%	0.518	59%	0.593	S	S	.	*	H	α-helix	trans	-77.6	-36.9	-173.7	-59.6	173.5	0	0	0	111.5	N83 I84	I80-N83 PolarHBondContact O-N 2.86Å; I80-I84 HydrophobicContact CG2-CD1 4.06Å; I80-I84 VanDerWaalsContact O-CG1 3.3Å; I80-I84 WeakPolarHBondContact O-CG1 3.5Å; I80-I84 PolarHBondContact O-N 3.27Å
81	I	53.9	Low	52.7	Low	135 Å²	135	102.7 Å²	102.7	69%	0.692	58%	0.581	S	S	*	*	H	α-helix	trans	-70.4	-41.5	-178.4	-58.5	174.7	0	0	0	110.5	N83 I84 L85	I81-N83 VanDerWaalsContact C-N 3.32Å; I81-N83 PolarHBondContact O-N 3.21Å; I81-I84 PolarHBondContact O-N 2.92Å; I81-L85 PolarHBondContact O-N 3.34Å
82	D	55.2	Low	54	Low	105 Å²	105	100.6 Å²	100.6	56%	0.561	57%	0.565	S	S	*	*	H	α-helix	trans	-64.3	-37.3	174.2	-79.7	-20	0	0	0	111.9	L85 T86	D82-L85 PolarHBondContact O-N 3.46Å; D82-T86 VanDerWaalsContact O-CB 3.24Å; D82-T86 WeakPolarHBondContact O-CB 3.46Å; D82-T86 PolarHBondContact O-N 3.22Å; D82-T86 PolarHBondContact O-OG1 2.94Å
83	N	54.7	Low	54.9	Low	101 Å²	101	102 Å²	102	54%	0.54	56%	0.557	S	S	.	*	H	α-helix	trans	-65.5	-41.4	174.3	-81.7	29.4	0	0	0	111.7	G79 I80 I81 T86 I87	G79-N83 WeakPolarHBondContact O-CB 3.02Å; G79-N83 VanDerWaalsContact O-CG 3.25Å; G79-N83 PolarHBondContact O-N 3.35Å; G79-N83 PolarHBondContact O-OD1 2.97Å; G79-N83 VanDerWaalsContact O-OD1 3.09Å; I80-N83 PolarHBondContact O-N 2.86Å; I81-N83 VanDerWaalsContact C-N 3.32Å; I81-N83 PolarHBondContact O-N 3.21Å; N83-T86 PolarHBondContact O-N 2.8Å; N83-I87 VanDerWaalsContact O-CB 3.27Å; N83-I87 WeakPolarHBondContact O-CB 3.5Å; N83-I87 WeakPolarHBondContact O-CD1 3.48Å; N83-I87 WeakPolarHBondContact O-CG1 3.5Å; N83-I87 PolarHBondContact O-N 3.28Å
84	I	61.5	Low	55.5	Low	93 Å²	93	101.7 Å²	101.7	48%	0.477	55%	0.549	S	S	.	.	H	α-helix	trans	-63.8	-43.9	177.5	-66.9	162.2	0	0	0	110.6	I80 I81 I87 R88	I80-I84 HydrophobicContact CG2-CD1 4.06Å; I80-I84 VanDerWaalsContact O-CG1 3.3Å; I80-I84 WeakPolarHBondContact O-CG1 3.5Å; I80-I84 PolarHBondContact O-N 3.27Å; I81-I84 PolarHBondContact O-N 2.92Å; I84-I87 PolarHBondContact O-N 3.12Å; I84-R88 HydrophobicContact CG2-CG 4.41Å; I84-R88 WeakPolarHBondContact O-CB 3.11Å; I84-R88 WeakPolarHBondContact O-CG 3.16Å; I84-R88 PolarHBondContact O-N 3.35Å
85	L	64.6	Low	56.2	Low	76 Å²	76	102.9 Å²	102.9	40%	0.398	54%	0.542	S	S	.	.	H	α-helix	trans	-65.8	-41.6	178.2	-173.5	64.5	0	0	0	111	I81 D82 R88 F89	I81-L85 PolarHBondContact O-N 3.34Å; D82-L85 PolarHBondContact O-N 3.46Å; L85-R88 WeakPolarHBondContact O-CB 3.4Å; L85-R88 PolarHBondContact O-N 3.45Å; L85-F89 HydrophobicContact CD1-CD2 4.15Å; L85-F89 HydrophobicContact CD1-CE2 3.65Å; L85-F89 HydrophobicContact CD1-CZ 4.33Å; L85-F89 HydrophobicContact CD2-CE2 3.92Å; L85-F89 HydrophobicContact CG-CD2 3.8Å; L85-F89 HydrophobicContact CG-CE2 3.47Å; L85-F89 VanDerWaalsContact CG-CE2 3.47Å; L85-F89 WeakPolarHBondContact O-CB 3.3Å; L85-F89 WeakPolarHBondContact O-CD2 3.47Å; L85-F89 PolarHBondContact O-N 3.17Å
86	T	63.2	Low	56.9	Low	81 Å²	81	101.5 Å²	101.5	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-63.8	-44	174.7	-56.7	0	0	0	0	111.7	D82 N83 R88 F89 T90	D82-T86 VanDerWaalsContact O-CB 3.24Å; D82-T86 WeakPolarHBondContact O-CB 3.46Å; D82-T86 PolarHBondContact O-N 3.22Å; D82-T86 PolarHBondContact O-OG1 2.94Å; N83-T86 PolarHBondContact O-N 2.8Å; T86-R88 PolarHBondContact O-N 3.43Å; T86-F89 WeakPolarHBondContact O-CB 3.33Å; T86-F89 PolarHBondContact O-N 3.1Å; T86-T90 HydrophobicContact CG2-CG2 4.49Å; T86-T90 WeakPolarHBondContact O-CG2 3.29Å; T86-T90 PolarHBondContact O-N 3.48Å; T86-T90 PolarHBondContact O-OG1 3.36Å
87	I	65.4	Low	57.3	Low	98 Å²	98	98.6 Å²	98.6	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-59.9	-47.9	175.9	-71.6	162.6	0	0	0	109.6	N83 I84 F89 T90 T91	N83-I87 VanDerWaalsContact O-CB 3.27Å; N83-I87 WeakPolarHBondContact O-CB 3.5Å; N83-I87 WeakPolarHBondContact O-CD1 3.48Å; N83-I87 WeakPolarHBondContact O-CG1 3.5Å; N83-I87 PolarHBondContact O-N 3.28Å; I84-I87 PolarHBondContact O-N 3.12Å; I87-F89 VanDerWaalsContact C-N 3.33Å; I87-F89 PolarHBondContact O-N 3.05Å; I87-T90 WeakPolarHBondContact CA-OG1 3.4Å; I87-T90 PolarHBondContact O-N 3.19Å; I87-T90 VanDerWaalsContact O-N 3.09Å; I87-T90 PolarHBondContact O-OG1 2.85Å; I87-T91 HydrophobicContact CG2-CG2 4.36Å; I87-T91 WeakPolarHBondContact O-CG2 3.38Å; I87-T91 PolarHBondContact O-N 3.46Å; I87-T91 PolarHBondContact O-OG1 2.77Å
88	R	68.6	Low	57.9	Low	172 Å²	172	97.7 Å²	97.7	65%	0.649	51%	0.511	S	S	*	.	H	α-helix	trans	-56.7	-44.7	175	-72.5	-90.1	179.6	167.3	-3	112	I84 L85 T86 T90 T91 D92	I84-R88 HydrophobicContact CG2-CG 4.41Å; I84-R88 WeakPolarHBondContact O-CB 3.11Å; I84-R88 WeakPolarHBondContact O-CG 3.16Å; I84-R88 PolarHBondContact O-N 3.35Å; L85-R88 WeakPolarHBondContact O-CB 3.4Å; L85-R88 PolarHBondContact O-N 3.45Å; T86-R88 PolarHBondContact O-N 3.43Å; R88-T90 VanDerWaalsContact C-N 3.35Å; R88-T90 PolarHBondContact O-N 2.84Å; R88-T91 WeakPolarHBondContact CA-OG1 3.4Å; R88-T91 PolarHBondContact O-N 3.03Å; R88-T91 PolarHBondContact O-OG1 3.4Å; R88-D92 PolarHBondContact O-N 3.38Å; R88-D92 VanDerWaalsContact O-N 3.13Å
89	F	64.9	Low	58	Low	72 Å²	72	99.8 Å²	99.8	32%	0.316	51%	0.507	S	S	.	.	H	α-helix	trans	-63.2	-39.2	175.2	-82	-61	0	0	0	112.7	L85 T86 I87 Y93	L85-F89 HydrophobicContact CD1-CD2 4.15Å; L85-F89 HydrophobicContact CD1-CE2 3.65Å; L85-F89 HydrophobicContact CD1-CZ 4.33Å; L85-F89 HydrophobicContact CD2-CE2 3.92Å; L85-F89 HydrophobicContact CG-CD2 3.8Å; L85-F89 HydrophobicContact CG-CE2 3.47Å; L85-F89 VanDerWaalsContact CG-CE2 3.47Å; L85-F89 WeakPolarHBondContact O-CB 3.3Å; L85-F89 WeakPolarHBondContact O-CD2 3.47Å; L85-F89 PolarHBondContact O-N 3.17Å; T86-F89 WeakPolarHBondContact O-CB 3.33Å; T86-F89 PolarHBondContact O-N 3.1Å; I87-F89 VanDerWaalsContact C-N 3.33Å; I87-F89 PolarHBondContact O-N 3.05Å; F89-Y93 WeakPolarHBondContact O-CB 3.22Å; F89-Y93 PolarHBondContact O-N 3.09Å; F89-Y93 VanDerWaalsContact O-N 3.14Å
90	T	62.8	Low	57.6	Low	66 Å²	66	105.8 Å²	105.8	41%	0.405	53%	0.525	S	S	.	.	H	α-helix	trans	-73	-34.3	178.8	56.8	0	0	0	0	113.1	T86 I87 R88 Y93 F94	T86-T90 HydrophobicContact CG2-CG2 4.49Å; T86-T90 WeakPolarHBondContact O-CG2 3.29Å; T86-T90 PolarHBondContact O-N 3.48Å; T86-T90 PolarHBondContact O-OG1 3.36Å; I87-T90 WeakPolarHBondContact CA-OG1 3.4Å; I87-T90 PolarHBondContact O-N 3.19Å; I87-T90 VanDerWaalsContact O-N 3.09Å; I87-T90 PolarHBondContact O-OG1 2.85Å; R88-T90 VanDerWaalsContact C-N 3.35Å; R88-T90 PolarHBondContact O-N 2.84Å; T90-Y93 WeakPolarHBondContact O-CB 3.3Å; T90-Y93 PolarHBondContact O-N 3.47Å; T90-F94 PolarHBondContact O-N 2.62Å
91	T	64	Low	57	Low	72 Å²	72	107.1 Å²	107.1	44%	0.442	53%	0.533	S	S	.	.	H	α-helix	trans	-68.2	-42.7	176.5	51.7	0	0	0	0	111	I87 R88 Y93 F94 E95	I87-T91 HydrophobicContact CG2-CG2 4.36Å; I87-T91 WeakPolarHBondContact O-CG2 3.38Å; I87-T91 PolarHBondContact O-N 3.46Å; I87-T91 PolarHBondContact O-OG1 2.77Å; R88-T91 WeakPolarHBondContact CA-OG1 3.4Å; R88-T91 PolarHBondContact O-N 3.03Å; R88-T91 PolarHBondContact O-OG1 3.4Å; T91-Y93 VanDerWaalsContact C-N 3.26Å; T91-Y93 PolarHBondContact O-N 3.25Å; T91-F94 PolarHBondContact O-N 3.39Å; T91-E95 PolarHBondContact O-N 2.99Å
92	D	61.5	Low	56.1	Low	89 Å²	89	108.5 Å²	108.5	48%	0.476	54%	0.538	S	S	.	.	H	α-helix	trans	-61.9	-37.1	174.8	-73.7	-4.1	0	0	0	111.3	R88 I96	R88-D92 PolarHBondContact O-N 3.38Å; R88-D92 VanDerWaalsContact O-N 3.13Å; D92-I96 WeakPolarHBondContact O-CB 3.27Å; D92-I96 WeakPolarHBondContact O-CD1 3.48Å; D92-I96 WeakPolarHBondContact O-CG1 3.14Å; D92-I96 PolarHBondContact O-N 2.89Å; D92-I96 VanDerWaalsContact O-N 3.1Å
93	Y	59.9	Low	55.2	Low	140 Å²	140	109.2 Å²	109.2	55%	0.549	55%	0.547	S	S	.	.	H	α-helix	trans	-63.8	-47.1	174.5	174.4	-96.4	0	0	0	112.7	F89 T90 T91 E95 I96 S97	F89-Y93 WeakPolarHBondContact O-CB 3.22Å; F89-Y93 PolarHBondContact O-N 3.09Å; F89-Y93 VanDerWaalsContact O-N 3.14Å; T90-Y93 WeakPolarHBondContact O-CB 3.3Å; T90-Y93 PolarHBondContact O-N 3.47Å; T91-Y93 VanDerWaalsContact C-N 3.26Å; T91-Y93 PolarHBondContact O-N 3.25Å; Y93-E95 VanDerWaalsContact C-N 3.33Å; Y93-E95 PolarHBondContact O-N 3.38Å; Y93-I96 PolarHBondContact O-N 3.13Å; Y93-S97 WeakPolarHBondContact O-CB 3.38Å; Y93-S97 PolarHBondContact O-N 2.78Å
94	F	57.3	Low	54.4	Low	143 Å²	143	113.7 Å²	113.7	63%	0.627	56%	0.564	S	S	*	*	H	α-helix	trans	-62.7	-41	178.4	-101.3	-85.3	0	0	0	111.7	T90 T91 S97 S98	T90-F94 PolarHBondContact O-N 2.62Å; T91-F94 PolarHBondContact O-N 3.39Å; F94-S97 PolarHBondContact O-N 2.9Å; F94-S98 WeakPolarHBondContact O-CB 3.33Å; F94-S98 PolarHBondContact O-N 3.4Å; F94-S98 PolarHBondContact O-OG 2.86Å
95	E	51.2	Low	53.1	Low	142 Å²	142	117.7 Å²	117.7	66%	0.664	58%	0.581	S	S	*	*	H	α-helix	trans	-65.9	-41.9	179.8	-139.8	-173.8	-178.6	0	0	111.9	T91 Y93 K99	T91-E95 PolarHBondContact O-N 2.99Å; Y93-E95 VanDerWaalsContact C-N 3.33Å; Y93-E95 PolarHBondContact O-N 3.38Å; E95-K99 VanDerWaalsContact O-CB 3.29Å; E95-K99 WeakPolarHBondContact O-CB 3.07Å; E95-K99 PolarHBondContact O-N 2.99Å; E95-K99 VanDerWaalsContact O-N 3.12Å
96	I	53.8	Low	51.4	Low	102 Å²	102	119.6 Å²	119.6	52%	0.523	60%	0.6	S	S	.	*	H	α-helix	trans	-69.5	-35.5	176.9	-67.6	164.5	0	0	0	111.5	D92 Y93 K100	D92-I96 WeakPolarHBondContact O-CB 3.27Å; D92-I96 WeakPolarHBondContact O-CD1 3.48Å; D92-I96 WeakPolarHBondContact O-CG1 3.14Å; D92-I96 PolarHBondContact O-N 2.89Å; D92-I96 VanDerWaalsContact O-N 3.1Å; Y93-I96 PolarHBondContact O-N 3.13Å; I96-K100 PolarHBondContact O-N 3.37Å
97	S	52.7	Low	50	Low	46 Å²	46	125.5 Å²	125.5	32%	0.322	62%	0.622	S	S	.	*	H	α-helix	trans	-68.5	-49.8	177.6	-164.1	0	0	0	0	111.2	Y93 F94 K99 K100 D101	Y93-S97 WeakPolarHBondContact O-CB 3.38Å; Y93-S97 PolarHBondContact O-N 2.78Å; F94-S97 PolarHBondContact O-N 2.9Å; S97-K99 PolarHBondContact O-N 2.9Å; S97-K100 WeakPolarHBondContact O-CB 3.46Å; S97-K100 PolarHBondContact O-N 3.24Å; S97-D101 PolarHBondContact O-N 3.45Å
98	S	54.8	Low	48.2	Very low	68 Å²	68	125 Å²	125	48%	0.476	63%	0.633	S	S	.	*	H	α-helix	trans	-63.3	-25.8	177.4	-65.8	0	0	0	0	112.9	F94	F94-S98 WeakPolarHBondContact O-CB 3.33Å; F94-S98 PolarHBondContact O-N 3.4Å; F94-S98 PolarHBondContact O-OG 2.86Å
99	K	48.3	Very low	46.2	Very low	163 Å²	163	124.7 Å²	124.7	71%	0.709	64%	0.639	S	S	*	*	H	α-helix	trans	-78.7	-16.7	174.8	-156.3	153.9	-172.7	161.4	0	113.7	E95 S97 V103	E95-K99 VanDerWaalsContact O-CB 3.29Å; E95-K99 WeakPolarHBondContact O-CB 3.07Å; E95-K99 PolarHBondContact O-N 2.99Å; E95-K99 VanDerWaalsContact O-N 3.12Å; S97-K99 PolarHBondContact O-N 2.9Å; K99-V103 WeakPolarHBondContact O-CG2 3.42Å
100	K	40.5	Very low	44.2	Very low	157 Å²	157	129.5 Å²	129.5	68%	0.683	66%	0.662	S	S	*	*	H	α-helix	trans	-82.1	-33.8	172.8	-96.5	178	175.1	170.5	0	112.7	I96 S97 M102 V103	I96-K100 PolarHBondContact O-N 3.37Å; S97-K100 WeakPolarHBondContact O-CB 3.46Å; S97-K100 PolarHBondContact O-N 3.24Å; K100-M102 PolarHBondContact O-N 2.81Å; K100-V103 PolarHBondContact O-N 3.21Å
101	D	38.5	Very low	42.4	Very low	128 Å²	128	129.6 Å²	129.6	68%	0.684	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-8.9	-177.3	-60.6	-37.9	0	0	0	113.6	S97	S97-D101 PolarHBondContact O-N 3.45Å
102	M	34.8	Very low	40.5	Very low	164 Å²	164	133.2 Å²	133.2	81%	0.808	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	5.1	177.6	-65.3	-174.7	74	0	0	114.5	K100	K100-M102 PolarHBondContact O-N 2.81Å
103	V	35.9	Very low	39.1	Very low	121 Å²	121	137.6 Å²	137.6	73%	0.733	72%	0.716	S	S	*	*	S	Bend	trans	-100.9	-9.6	-174.2	-179.8	0	0	0	0	113.2	K99 K100	K99-V103 WeakPolarHBondContact O-CG2 3.42Å; K100-V103 PolarHBondContact O-N 3.21Å
104	E	37.2	Very low	37.4	Very low	195 Å²	195	138 Å²	138	91%	0.911	73%	0.733	S	S	*	*	S	Bend	trans	-96.6	2.4	-173.9	-148.2	172.3	170.7	0	0	115.5
105	E	34.3	Very low	36	Very low	177 Å²	177	136.4 Å²	136.4	83%	0.827	74%	0.74	S	S	*	*	S	Bend	trans	-143.8	91.5	179.1	-161.4	165.4	179.7	0	0	112.3
106	S	30.5	Very low	35.3	Very low	115 Å²	115	135.4 Å²	135.4	80%	0.804	75%	0.746	S	S	*	*			trans	161.4	92	135.3	43.2	0	0	0	0	111.7	A108	S106-A108 PolarHBondContact O-N 2.99Å
107	E	33.1	Very low	34.3	Very low	205 Å²	205	136.4 Å²	136.4	96%	0.958	76%	0.759	S	S	*	*			trans	-73.9	107.6	149.3	-68.4	-175.2	136.5	0	0	107.7
108	A	27.3	Very low	33.2	Very low	88 Å²	88	140 Å²	140	73%	0.727	78%	0.775	S	S	*	*			trans	-160.7	101.9	161.8	0	0	0	0	0	110.7	S106	S106-A108 PolarHBondContact O-N 2.99Å
109	E	26.4	Very low	32.2	Very low	165 Å²	165	143.1 Å²	143.1	77%	0.771	79%	0.79	S	S	*	*			trans	36.6	117.1	141.8	-75.9	-108	89.8	0	0	120.8
110	Q	24.5	Very low	31.4	Very low	173 Å²	173	142.6 Å²	142.6	81%	0.808	79%	0.79	S	S	*	*				91.3	110.9	121.4	-145.5	165	44	0	0	120.4
111	G	25	Very low	31.2	Very low	68 Å²	68	144.1 Å²	144.1	70%	0.701	80%	0.799	S	S	*	*			trans	114	121.7	130.5	0	0	0	0	0	119.8
112	T	24.1	Very low	31	Very low	149 Å²	149	144.5 Å²	144.5	91%	0.914	81%	0.807	S	S	*	*			trans	102.6	124.9	143.5	-44.3	0	0	0	0	119.2
113	Q	30.8	Very low	31.1	Very low	181 Å²	181	146 Å²	146	85%	0.846	83%	0.833	S	S	*	*			trans	-62.5	149.7	-178.6	-68.1	170	-34.5	0	0	115.2
114	T	25	Very low	30.9	Very low	147 Å²	147	147.3 Å²	147.3	90%	0.902	84%	0.838	S	S	*	*			trans	-157.2	140.6	136.6	-17.9	0	0	0	0	111.9
115	S	28.2	Very low	30.6	Very low	110 Å²	110	144.7 Å²	144.7	77%	0.769	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-68.2	165.4	-163.7	-46.4	0	0	0	0	117.7
116	P	35.4	Very low	30.4	Very low	121 Å²	121	142.9 Å²	142.9	79%	0.786	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-95.3	154.2	177.9	36.4	-31.8	0	0	0	113.6
117	P	33.7	Very low	30.4	Very low	124 Å²	124	144.6 Å²	144.6	81%	0.805	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-99.2	133.7	163.6	32.5	-22.2	0	0	0	112.8
118	N	28.4	Very low	30.2	Very low	122 Å²	122	140.8 Å²	140.8	65%	0.652	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-61.9	137.3	174.4	178.3	17.4	0	0	0	112.9	H120	N118-H120 PolarHBondContact ND2-NE2 3.29Å
119	V	35.1	Very low	30.4	Very low	132 Å²	132	144.3 Å²	144.3	80%	0.8	84%	0.836	S	S	*	*			trans	-118.3	111.6	167.9	-176.4	0	0	0	0	108.5
120	H	31.3	Very low	30.7	Very low	153 Å²	153	142.9 Å²	142.9	71%	0.708	84%	0.841	S	S	*	*			trans	-64.8	133.1	178.4	-83.7	-94.3	0	0	0	112.1	N118	N118-H120 PolarHBondContact ND2-NE2 3.29Å
121	H	34.8	Very low	31.1	Very low	188 Å²	188	140.5 Å²	140.5	87%	0.87	84%	0.843	S	S	*	*			trans	-76.2	135.9	161	-96.8	-95.7	0	0	0	110
122	T	34.5	Very low	31.7	Very low	136 Å²	136	146.6 Å²	146.6	83%	0.834	86%	0.855	S	S	*	*			trans	-131.7	132.8	158.5	-37.7	0	0	0	0	108.1
123	S	38.5	Very low	32.3	Very low	196 Å²	196	146.4 Å²	146.4	100%	1.371	85%	0.849	S	S	*	*			trans	-55.9	0	-170	-58.9	0	0	0	0	116.9

Retrieved 123 of 123 residues in 141.8 ms (Link to these results)

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