A0A077ZLY4_TRITR Loading...

DUF7047 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZLY4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 104 aa.

						>A0A077ZLY4_TRITR|A0A077ZLY4
MRLVDCARVLGLKVSSERGRLTWARGNPVGDVPQQLTRRAVFAYCGELVGHLPVCGWLRVAAAFVKRAANAATKSWDEPIDGGTIRPLLEDIAARVKEHDPARG
					

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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	31.7	Very low	64.7	Low	228 Å²	228	124.1 Å²	124.1	100%	1.123	63%	0.634	S	S	*	*				0	103.1	0	-173.4	175.1	-178.5	0	0	107.7
2	R	44.6	Very low	66.7	Low	243 Å²	243	114.7 Å²	114.7	92%	0.917	59%	0.586	S	S	*	*			trans	-87.6	104.5	172.3	-106.3	179.1	179.1	168.1	-0.3	106.6	V4	R2-V4 PolarHBondContact O-N 2.77Å; R2-V4 VanDerWaalsContact O-N 3.09Å
3	L	45.6	Very low	68.6	Low	141 Å²	141	114.2 Å²	114.2	74%	0.738	58%	0.577	S	S	*	*			trans	-61.4	107.8	166.7	-86.2	152.2	0	0	0	106.2	D5	L3-D5 PolarHBondContact O-N 3.1Å; L3-D5 VanDerWaalsContact O-N 3.1Å
4	V	54.5	Low	70.1	Confident	85 Å²	85	107.9 Å²	107.9	52%	0.515	55%	0.548	S	S	.	.			trans	-69.4	110.3	176.2	-177.9	0	0	0	0	106.4	R2 C6 S16	R2-V4 PolarHBondContact O-N 2.77Å; R2-V4 VanDerWaalsContact O-N 3.09Å; V4-C6 VanDerWaalsContact C-N 3.31Å; V4-C6 PolarHBondContact O-N 3.09Å; V4-S16 VanDerWaalsContact CG1-O 3.24Å; V4-S16 WeakPolarHBondContact CG1-O 3.24Å
5	D	58.3	Low	71.3	Confident	131 Å²	131	103.3 Å²	103.3	70%	0.701	53%	0.529	S	S	*	.			trans	-53.4	86.6	-176.8	-65.8	-55.2	0	0	0	111.7	L3 A7	L3-D5 PolarHBondContact O-N 3.1Å; L3-D5 VanDerWaalsContact O-N 3.1Å; D5-A7 PolarHBondContact O-N 3.21Å
6	C	64.4	Low	72.4	Confident	76 Å²	76	99.8 Å²	99.8	51%	0.514	52%	0.517	S	S	.	.			trans	-81.5	94.1	172.4	-73.6	0	0	0	0	108.6	V4 V14	V4-C6 VanDerWaalsContact C-N 3.31Å; V4-C6 PolarHBondContact O-N 3.09Å; C6-V14 WeakPolarHBondContact CA-O 3.27Å
7	A	78.2	Confident	73.1	Confident	49 Å²	49	101.1 Å²	101.1	41%	0.405	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	146.5	171.1	0	0	0	0	0	110.6	D5 V9 V14	D5-A7 PolarHBondContact O-N 3.21Å; A7-V9 HydrophobicContact CB-CG2 4.45Å; A7-V14 PolarHBondContact N-O 2.86Å; A7-V14 PolarHBondContact O-N 3.46Å
8	R	80.1	Confident	73.8	Confident	204 Å²	204	108.7 Å²	108.7	77%	0.77	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.1	167.2	-71.7	-175.2	177.3	171.1	-1.5	109.1	L12	R8-L12 VanDerWaalsContact CA-O 3.29Å; R8-L12 WeakPolarHBondContact CA-O 3.35Å
9	V	81.2	Confident	74.5	Confident	74 Å²	74	106.8 Å²	106.8	45%	0.448	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.1	114.5	-179.3	-177.8	0	0	0	0	108.4	A7 G11 L12 V14	A7-V9 HydrophobicContact CB-CG2 4.45Å; V9-G11 PolarHBondContact O-N 3.41Å; V9-G11 VanDerWaalsContact O-N 3.09Å; V9-L12 PolarHBondContact N-O 2.86Å; V9-L12 WeakPolarHBondContact O-CB 3.29Å; V9-L12 PolarHBondContact O-N 2.83Å; V9-V14 HydrophobicContact CG2-CG2 4.49Å
10	L	85.8	Confident	75.2	Confident	106 Å²	106	111.4 Å²	111.4	56%	0.555	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.4	36.2	174.8	-56.9	176.8	0	0	0	114	H51 L52 P53	L10-H51 WeakPolarHBondContact CB-O 3.39Å; L10-H51 CarbonylContact O-C 3.59Å; L10-H51 VanDerWaalsContact O-C 3.27Å; L10-H51 VanDerWaalsContact O-O 3.14Å; L10-L52 WeakPolarHBondContact O-CA 3.44Å; L10-L52 PolarHBondContact O-N 3.11Å; L10-P53 HydrophobicContact CB-CG 4.44Å; L10-P53 HydrophobicContact CD1-CB 4.32Å; L10-P53 HydrophobicContact CD1-CG 4.21Å
11	G	86.9	Confident	75.8	Confident	28 Å²	28	111.2 Å²	111.2	29%	0.289	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	86.2	-2.3	-178.3	0	0	0	0	0	115.5	V9 G26 L52	V9-G11 PolarHBondContact O-N 3.41Å; V9-G11 VanDerWaalsContact O-N 3.09Å; G11-G26 WeakPolarHBondContact O-CA 3.08Å; G11-G26 PolarHBondContact O-N 2.89Å; G11-L52 VanDerWaalsContact C-CD2 3.42Å; G11-L52 WeakPolarHBondContact O-CD2 3.39Å
12	L	89.4	Confident	78.7	Confident	11 Å²	11	102.8 Å²	102.8	6%	0.058	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	143	169.7	-62.2	170.8	0	0	0	110.7	R8 V9 W23 A24 L52 P53 V54 A102	R8-L12 VanDerWaalsContact CA-O 3.29Å; R8-L12 WeakPolarHBondContact CA-O 3.35Å; V9-L12 PolarHBondContact N-O 2.86Å; V9-L12 WeakPolarHBondContact O-CB 3.29Å; V9-L12 PolarHBondContact O-N 2.83Å; L12-W23 HydrophobicContact CD1-CG 4.3Å; L12-A24 CarbonylContact C-O 3.57Å; L12-A24 WeakPolarHBondContact CA-O 2.87Å; L12-L52 HydrophobicContact CD2-CD2 3.61Å; L12-L52 HydrophobicContact CG-CD2 3.89Å; L12-P53 HydrophobicContact CD1-CG 3.82Å; L12-V54 HydrophobicContact CD1-CG2 4.11Å; L12-A102 HydrophobicContact CD2-CB 4.24Å
13	K	90.5	Very high	80.8	Confident	108 Å²	108	95.5 Å²	95.5	47%	0.47	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.1	162.2	-176.2	-178.3	179.1	-175.3	0	107.5	W23 A24	K13-W23 VanDerWaalsContact O-CA 3.27Å; K13-W23 WeakPolarHBondContact O-CA 3.46Å; K13-A24 PolarHBondContact N-O 3.28Å; K13-A24 PolarHBondContact O-N 3.36Å
14	V	89.7	Confident	83	Confident	27 Å²	27	91.1 Å²	91.1	16%	0.164	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.8	178.7	-172.3	0	0	0	0	108.4	C6 A7 V9 L21 T22 W23	C6-V14 WeakPolarHBondContact CA-O 3.27Å; A7-V14 PolarHBondContact N-O 2.86Å; A7-V14 PolarHBondContact O-N 3.46Å; V9-V14 HydrophobicContact CG2-CG2 4.49Å; V14-L21 HydrophobicContact CG1-CD2 4.37Å; V14-T22 CarbonylContact C-O 3.3Å; V14-T22 WeakPolarHBondContact CA-O 3.34Å; V14-W23 HydrophobicContact CG2-CB 4.1Å
15	S	89.2	Confident	84.8	Confident	38 Å²	38	88.7 Å²	88.7	27%	0.266	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148.4	175.4	45.2	0	0	0	0	110.7	L21 T22	S15-L21 WeakPolarHBondContact O-CA 3.4Å; S15-T22 PolarHBondContact N-O 3.02Å; S15-T22 PolarHBondContact O-N 2.99Å; S15-T22 PolarHBondContact O-OG1 2.94Å; S15-T22 PolarHBondContact OG-OG1 3.01Å
16	S	87.9	Confident	86.3	Confident	48 Å²	48	83.6 Å²	83.6	34%	0.336	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.6	172.3	-170.4	0	0	0	0	110.3	V4 R20	V4-S16 VanDerWaalsContact CG1-O 3.24Å; V4-S16 WeakPolarHBondContact CG1-O 3.24Å; S16-R20 CarbonylContact C-O 3.53Å; S16-R20 WeakPolarHBondContact CA-O 3.2Å
17	E	84.5	Confident	87.2	Confident	121 Å²	121	84.8 Å²	84.8	57%	0.565	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.9	171.4	-174.2	173.7	-165.4	0	0	109.8	G19 R20	E17-G19 PolarHBondContact O-N 3.09Å; E17-G19 VanDerWaalsContact O-N 3.11Å; E17-R20 PolarHBondContact N-O 2.76Å; E17-R20 PolarHBondContact O-N 2.88Å
18	R	86.7	Confident	87.5	Confident	238 Å²	238	88 Å²	88	90%	0.898	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	38.3	176	-58.7	175.7	-171.4	-165.5	0.8	113.8	R20	R18-R20 VanDerWaalsContact C-N 3.27Å; R18-R20 PolarHBondContact O-N 2.79Å
19	G	85.5	Confident	87.9	Confident	73 Å²	73	79.9 Å²	79.9	75%	0.753	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	1.1	179.9	0	0	0	0	0	114.8	E17	E17-G19 PolarHBondContact O-N 3.09Å; E17-G19 VanDerWaalsContact O-N 3.11Å
20	R	88.8	Confident	88.3	Confident	198 Å²	198	77.9 Å²	77.9	75%	0.747	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.5	169.7	-65.6	-176.2	174.3	-178.4	-2.4	109.5	S16 E17 R18	S16-R20 CarbonylContact C-O 3.53Å; S16-R20 WeakPolarHBondContact CA-O 3.2Å; E17-R20 PolarHBondContact N-O 2.76Å; E17-R20 PolarHBondContact O-N 2.88Å; R18-R20 VanDerWaalsContact C-N 3.27Å; R18-R20 PolarHBondContact O-N 2.79Å
21	L	89.1	Confident	88.7	Confident	109 Å²	109	78.6 Å²	78.6	57%	0.571	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.9	169.8	-66	175.5	0	0	0	108.2	V14 S15	V14-L21 HydrophobicContact CG1-CD2 4.37Å; S15-L21 WeakPolarHBondContact O-CA 3.4Å
22	T	91.4	Very high	89.1	Confident	51 Å²	51	78.4 Å²	78.4	31%	0.313	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	151.6	170.2	56.3	0	0	0	0	108.7	V14 S15 G104	V14-T22 CarbonylContact C-O 3.3Å; V14-T22 WeakPolarHBondContact CA-O 3.34Å; S15-T22 PolarHBondContact N-O 3.02Å; S15-T22 PolarHBondContact O-N 2.99Å; S15-T22 PolarHBondContact O-OG1 2.94Å; S15-T22 PolarHBondContact OG-OG1 3.01Å; T22-G104 CarbonylContact C-O 3.56Å; T22-G104 WeakPolarHBondContact CA-O 3.36Å
23	W	89.8	Confident	89.4	Confident	90 Å²	90	79.4 Å²	79.4	34%	0.341	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	152.1	174.6	61.7	87.4	0	0	0	111.3	L12 K13 V14 R103 G104	L12-W23 HydrophobicContact CD1-CG 4.3Å; K13-W23 VanDerWaalsContact O-CA 3.27Å; K13-W23 WeakPolarHBondContact O-CA 3.46Å; V14-W23 HydrophobicContact CG2-CB 4.1Å; W23-R103 VanDerWaalsContact NE1-C 3.26Å; W23-R103 PolarHBondContact NE1-O 3.05Å; W23-R103 CarbonylContact O-C 3.44Å; W23-R103 VanDerWaalsContact O-CA 3.22Å; W23-R103 WeakPolarHBondContact O-CA 3.49Å; W23-G104 VanDerWaalsContact CE2-CA 3.48Å; W23-G104 PolarHBondContact N-O 3.48Å; W23-G104 PolarHBondContact O-N 2.96Å
24	A	91.6	Very high	89.6	Confident	48 Å²	48	83.1 Å²	83.1	40%	0.397	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	166.3	171.1	0	0	0	0	0	109.1	L12 K13 G26 A102	L12-A24 CarbonylContact C-O 3.57Å; L12-A24 WeakPolarHBondContact CA-O 2.87Å; K13-A24 PolarHBondContact N-O 3.28Å; K13-A24 PolarHBondContact O-N 3.36Å; A24-G26 PolarHBondContact O-N 2.8Å; A24-A102 CarbonylContact C-O 3.54Å; A24-A102 VanDerWaalsContact C-O 3.3Å; A24-A102 WeakPolarHBondContact CA-O 3.5Å
25	R	91.6	Very high	89.8	Confident	35 Å²	35	89.6 Å²	89.6	13%	0.132	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	129.6	167.6	-177.1	-174.2	-64	-89.4	-9.9	110.1	N27 E47 L48 L52 D100 A102	R25-N27 WeakPolarHBondContact CD-O 3.22Å; R25-N27 WeakPolarHBondContact CG-O 3.34Å; R25-E47 PolarHBondContact NH1-O 2.96Å; R25-L48 PolarHBondContact NH1-O 3.33Å; R25-L48 PolarHBondContact NH2-O 3.44Å; R25-L52 HydrophobicContact CG-CD1 4.26Å; R25-D100 IonicContact CZ-OD1 3.98Å; R25-D100 IonicContact CZ-OD2 3.54Å; R25-D100 IonicContact NE-OD1 3.83Å; R25-D100 IonicContact NE-OD2 2.7Å; R25-D100 PolarHBondContact NE-OD2 2.66Å; R25-D100 IonicContact NH2-OD1 3.21Å; R25-D100 PolarHBondContact NH2-OD1 2.76Å; R25-D100 IonicContact NH2-OD2 3.5Å; R25-A102 HydrophobicContact CB-CB 4.23Å; R25-A102 PolarHBondContact N-O 3.01Å
26	G	89.1	Confident	90.1	Very high	24 Å²	24	88.2 Å²	88.2	25%	0.247	47%	0.467	C	S	.	.	S	Bend	trans	-85.4	-24.5	-179.2	0	0	0	0	0	114.3	G11 A24	G11-G26 WeakPolarHBondContact O-CA 3.08Å; G11-G26 PolarHBondContact O-N 2.89Å; A24-G26 PolarHBondContact O-N 2.8Å
27	N	85.2	Confident	90.5	Very high	101 Å²	101	87 Å²	87	54%	0.54	46%	0.457	S	S	.	.	S	Bend	trans	-110.9	130.7	-179.3	-62.5	-28.1	0	0	0	110.1	R25	R25-N27 WeakPolarHBondContact CD-O 3.22Å; R25-N27 WeakPolarHBondContact CG-O 3.34Å
28	P	84.4	Confident	91.1	Very high	115 Å²	115	82.5 Å²	82.5	75%	0.747	44%	0.435	S	S	*	.			trans	-60.6	148.8	170.6	28.3	-33.7	0	0	0	109.9
29	V	87.2	Confident	91.6	Very high	35 Å²	35	77.2 Å²	77.2	21%	0.212	42%	0.415	C	S	.	.			trans	-92.4	130.8	169.5	-175.3	0	0	0	0	107.2	Y44 L48	V29-Y44 HydrophobicContact CG1-CE2 3.97Å; V29-L48 HydrophobicContact CB-CD2 4.44Å; V29-L48 HydrophobicContact CG1-CD2 3.51Å; V29-L48 HydrophobicContact CG1-CG 4.02Å; V29-L48 HydrophobicContact CG2-CD2 4.25Å
30	G	89.9	Confident	92.2	Very high	31 Å²	31	74.8 Å²	74.8	32%	0.32	39%	0.388	S	S	.	.			trans	-63.3	178	171.6	0	0	0	0	0	113.3	Y44 E47	G30-Y44 WeakPolarHBondContact O-CE2 3.34Å; G30-E47 PolarHBondContact N-OE1 3.01Å
31	D	94.6	Very high	92.6	Very high	121 Å²	121	65.4 Å²	65.4	65%	0.647	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-80.6	161.7	174.6	-66.1	-55.2	0	0	0	111.8	K97	D31-K97 IonicContact OD1-NZ 3.09Å; D31-K97 PolarHBondContact OD1-NZ 3.45Å; D31-K97 VanDerWaalsContact OD1-NZ 3.09Å
32	V	95.9	Very high	93	Very high	24 Å²	24	62.8 Å²	62.8	15%	0.145	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-57	131.6	176.2	178.4	0	0	0	0	109.5	Q34 L36 Y44 L89 E90 A93	V32-Q34 PolarHBondContact O-N 3.08Å; V32-L36 HydrophobicContact CG1-CD2 4.43Å; V32-Y44 HydrophobicContact CG2-CE1 4.04Å; V32-L89 HydrophobicContact CG1-CB 3.84Å; V32-L89 HydrophobicContact CG1-CD1 4.12Å; V32-L89 HydrophobicContact CG2-CB 4.09Å; V32-E90 HydrophobicContact CG2-CG 4.15Å; V32-A93 HydrophobicContact CG2-CB 3.97Å
33	P	95.3	Very high	93.3	Very high	32 Å²	32	63.4 Å²	63.4	21%	0.208	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-56.1	138.9	179.8	-25.9	33.3	0	0	0	112.9	L36 A40 Y44 R86	P33-L36 HydrophobicContact CB-CD2 4.31Å; P33-A40 HydrophobicContact CB-CB 4.18Å; P33-A40 HydrophobicContact CG-CB 4.28Å; P33-Y44 HydrophobicContact CG-CG 4.33Å; P33-R86 PolarHBondContact O-NH2 3.45Å
34	Q	93.6	Very high	93.6	Very high	186 Å²	186	59.4 Å²	59.4	87%	0.869	33%	0.332	S	S	*	.	S	Bend	trans	-66.1	-41.8	177	-68.7	-177	-6.7	0	0	111.9	V32 R86	V32-Q34 PolarHBondContact O-N 3.08Å; Q34-R86 PolarHBondContact O-NH2 3.18Å
35	Q	93.8	Very high	93.8	Very high	163 Å²	163	57.1 Å²	57.1	76%	0.762	31%	0.313	S	S	*	.	S	Bend	trans	-100.8	122.8	173.3	-66.8	-178	-4.4	0	0	109.4
36	L	96	Very high	94	Very high	10 Å²	10	56.9 Å²	56.9	5%	0.052	32%	0.321	C	S	.	.			trans	-94.2	109.5	176.6	-61.5	-173	0	0	0	109.1	V32 P33 V41 I80 I85 R86 L89	V32-L36 HydrophobicContact CG1-CD2 4.43Å; P33-L36 HydrophobicContact CB-CD2 4.31Å; L36-V41 HydrophobicContact CD2-CG2 4.47Å; L36-I80 HydrophobicContact CB-CB 4.07Å; L36-I80 HydrophobicContact CB-CD1 4.47Å; L36-I80 PolarHBondContact O-N 3.14Å; L36-I85 HydrophobicContact CD1-CG2 4.35Å; L36-R86 HydrophobicContact CD1-CB 3.69Å; L36-L89 HydrophobicContact CD1-CD1 4.45Å; L36-L89 HydrophobicContact CD2-CD1 3.92Å
37	T	96.9	Very high	94.2	Very high	22 Å²	22	60 Å²	60	14%	0.135	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-117.6	162.6	162.3	65.8	0	0	0	0	108	R39 A40 V41 W76 D77	T37-R39 PolarHBondContact O-N 2.89Å; T37-A40 PolarHBondContact O-N 2.87Å; T37-A40 VanDerWaalsContact O-N 3.1Å; T37-A40 PolarHBondContact OG1-N 2.9Å; T37-A40 VanDerWaalsContact OG1-N 3.12Å; T37-V41 WeakPolarHBondContact O-CG2 3.43Å; T37-V41 PolarHBondContact O-N 2.92Å; T37-W76 WeakPolarHBondContact CB-O 3.2Å; T37-D77 WeakPolarHBondContact CG2-O 3.49Å
38	R	97.2	Very high	94.6	Very high	26 Å²	26	55.2 Å²	55.2	10%	0.098	30%	0.304	C	S	.	.	H	α-helix	trans	-54.9	-40.2	174.6	-175.4	-168.1	-61.2	174.1	-2.7	111.3	V41 F42 A69 N70 T73 K74 W76	R38-V41 PolarHBondContact O-N 3.37Å; R38-F42 HydrophobicContact CG-CD2 3.97Å; R38-F42 HydrophobicContact CG-CE2 3.89Å; R38-F42 WeakPolarHBondContact O-CB 3.23Å; R38-F42 WeakPolarHBondContact O-CD2 3.25Å; R38-F42 PolarHBondContact O-N 2.81Å; R38-A69 HydrophobicContact CG-CB 4.47Å; R38-N70 VanDerWaalsContact CD-OD1 3.24Å; R38-N70 WeakPolarHBondContact CD-OD1 3.23Å; R38-N70 PolarHBondContact NH2-O 2.7Å; R38-T73 PolarHBondContact NE-OG1 3.04Å; R38-T73 PolarHBondContact NH2-O 3.46Å; R38-T73 PolarHBondContact NH2-OG1 3.23Å; R38-K74 PolarHBondContact NH1-O 2.78Å; R38-K74 VanDerWaalsContact NH2-C 3.32Å; R38-K74 PolarHBondContact NH2-O 3.46Å; R38-W76 HydrophobicContact CB-CE3 4.05Å; R38-W76 HydrophobicContact CB-CZ3 4.49Å; R38-W76 VanDerWaalsContact CD-CE3 3.49Å; R38-W76 HydrophobicContact CG-CD2 4.42Å; R38-W76 HydrophobicContact CG-CE3 3.61Å; R38-W76 HydrophobicContact CG-CH2 4.43Å; R38-W76 HydrophobicContact CG-CZ3 3.62Å; R38-W76 PolarHBondContact N-O 3.49Å
39	R	97.8	Very high	95.1	Very high	128 Å²	128	50.7 Å²	50.7	48%	0.483	27%	0.274	S	S	.	.	H	α-helix	trans	-60.4	-49	175.5	-172.7	-176.8	-56.1	-80.7	-1.4	111.7	T37 V41 F42 A43 W76 D77	T37-R39 PolarHBondContact O-N 2.89Å; R39-V41 PolarHBondContact O-N 3.38Å; R39-F42 PolarHBondContact O-N 3.3Å; R39-A43 WeakPolarHBondContact O-CB 3.44Å; R39-A43 PolarHBondContact O-N 2.73Å; R39-W76 HydrophobicContact CB-CE3 4.33Å; R39-W76 PolarHBondContact N-O 3.16Å; R39-D77 IonicContact CZ-OD1 3.63Å; R39-D77 IonicContact CZ-OD2 3.7Å; R39-D77 IonicContact NE-OD1 2.76Å; R39-D77 PolarHBondContact NE-OD1 3.4Å; R39-D77 IonicContact NE-OD2 3.59Å; R39-D77 IonicContact NH2-OD1 3.59Å; R39-D77 IonicContact NH2-OD2 2.91Å; R39-D77 PolarHBondContact NH2-OD2 3.02Å
40	A	97.4	Very high	95.1	Very high	22 Å²	22	51 Å²	51	18%	0.182	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-42.9	179.9	0	0	0	0	0	111.8	P33 T37 F42 A43 Y44	P33-A40 HydrophobicContact CB-CB 4.18Å; P33-A40 HydrophobicContact CG-CB 4.28Å; T37-A40 PolarHBondContact O-N 2.87Å; T37-A40 VanDerWaalsContact O-N 3.1Å; T37-A40 PolarHBondContact OG1-N 2.9Å; T37-A40 VanDerWaalsContact OG1-N 3.12Å; A40-F42 PolarHBondContact O-N 2.92Å; A40-A43 PolarHBondContact O-N 3Å; A40-Y44 WeakPolarHBondContact O-CB 3.25Å; A40-Y44 PolarHBondContact O-N 3.16Å
41	V	97.1	Very high	94.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.6	-46.9	175.5	173.3	0	0	0	0	111	L36 T37 R38 R39 A43 Y44 C45 V65 A69 I80 I85 L89	L36-V41 HydrophobicContact CD2-CG2 4.47Å; T37-V41 WeakPolarHBondContact O-CG2 3.43Å; T37-V41 PolarHBondContact O-N 2.92Å; R38-V41 PolarHBondContact O-N 3.37Å; R39-V41 PolarHBondContact O-N 3.38Å; V41-A43 PolarHBondContact O-N 3.46Å; V41-Y44 PolarHBondContact O-N 3.09Å; V41-C45 VanDerWaalsContact O-CB 3.31Å; V41-C45 WeakPolarHBondContact O-CB 3.5Å; V41-C45 PolarHBondContact O-N 3.21Å; V41-C45 PolarHBondContact O-SG 2.93Å; V41-V65 HydrophobicContact CG1-CG1 3.58Å; V41-A69 HydrophobicContact CB-CB 4.11Å; V41-A69 HydrophobicContact CG1-CB 3.89Å; V41-A69 HydrophobicContact CG2-CB 4.26Å; V41-I80 HydrophobicContact CG2-CD1 3.73Å; V41-I85 HydrophobicContact CG2-CG2 4.22Å; V41-L89 HydrophobicContact CG2-CD1 4.2Å
42	F	97.7	Very high	94.5	Very high	54 Å²	54	51.9 Å²	51.9	24%	0.237	28%	0.276	C	S	.	.	H	α-helix	trans	-64.8	-40.9	179.7	-90.7	-117.2	0	0	0	112.4	R38 R39 A40 G46 K66 N70 W76	R38-F42 HydrophobicContact CG-CD2 3.97Å; R38-F42 HydrophobicContact CG-CE2 3.89Å; R38-F42 WeakPolarHBondContact O-CB 3.23Å; R38-F42 WeakPolarHBondContact O-CD2 3.25Å; R38-F42 PolarHBondContact O-N 2.81Å; R39-F42 PolarHBondContact O-N 3.3Å; A40-F42 PolarHBondContact O-N 2.92Å; F42-G46 PolarHBondContact O-N 2.97Å; F42-K66 HydrophobicContact CD1-CD 3.99Å; F42-K66 HydrophobicContact CD1-CG 4.21Å; F42-K66 HydrophobicContact CD2-CB 4.25Å; F42-K66 HydrophobicContact CD2-CG 3.87Å; F42-K66 HydrophobicContact CE1-CB 4.29Å; F42-K66 HydrophobicContact CE1-CD 3.94Å; F42-K66 HydrophobicContact CE1-CG 4.14Å; F42-K66 HydrophobicContact CE2-CB 3.68Å; F42-K66 HydrophobicContact CE2-CG 3.81Å; F42-K66 WeakPolarHBondContact CE2-O 3.45Å; F42-K66 HydrophobicContact CG-CD 4.3Å; F42-K66 HydrophobicContact CG-CG 4.09Å; F42-K66 HydrophobicContact CZ-CB 3.7Å; F42-K66 HydrophobicContact CZ-CD 4.21Å; F42-K66 HydrophobicContact CZ-CG 3.95Å; F42-N70 WeakPolarHBondContact CE2-OD1 3.43Å; F42-W76 HydrophobicContact CB-CZ3 4.25Å; F42-W76 HydrophobicContact CD1-CH2 4.04Å; F42-W76 HydrophobicContact CD1-CZ3 4.07Å; F42-W76 HydrophobicContact CD2-CZ3 4.01Å; F42-W76 HydrophobicContact CE1-CH2 4.06Å; F42-W76 HydrophobicContact CE1-CZ3 4.41Å; F42-W76 HydrophobicContact CE2-CZ3 4.34Å; F42-W76 HydrophobicContact CG-CH2 4.29Å; F42-W76 AromaticContact CG-CZ3 3.85Å; F42-W76 HydrophobicContact CG-CZ3 3.85Å; F42-W76 HydrophobicContact CZ-CH2 4.31Å
43	A	96.6	Very high	93.9	Very high	64 Å²	64	53.7 Å²	53.7	53%	0.529	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-51.8	176.2	0	0	0	0	0	110.9	R39 A40 V41 C45 G46 E47	R39-A43 WeakPolarHBondContact O-CB 3.44Å; R39-A43 PolarHBondContact O-N 2.73Å; A40-A43 PolarHBondContact O-N 3Å; V41-A43 PolarHBondContact O-N 3.46Å; A43-C45 PolarHBondContact O-N 2.9Å; A43-G46 CarbonylContact O-C 3.27Å; A43-G46 WeakPolarHBondContact O-CA 3.36Å; A43-G46 PolarHBondContact O-N 2.74Å; A43-E47 PolarHBondContact O-N 3.24Å
44	Y	97.1	Very high	93.3	Very high	6 Å²	6	55.1 Å²	55.1	2%	0.024	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-45.3	179.1	-178.6	-112.7	0	0	0	112.4	V29 G30 V32 P33 A40 V41 G46 E47 L48 L89 A93	V29-Y44 HydrophobicContact CG1-CE2 3.97Å; G30-Y44 WeakPolarHBondContact O-CE2 3.34Å; V32-Y44 HydrophobicContact CG2-CE1 4.04Å; P33-Y44 HydrophobicContact CG-CG 4.33Å; A40-Y44 WeakPolarHBondContact O-CB 3.25Å; A40-Y44 PolarHBondContact O-N 3.16Å; V41-Y44 PolarHBondContact O-N 3.09Å; Y44-G46 PolarHBondContact O-N 3.46Å; Y44-E47 WeakPolarHBondContact O-CB 3.48Å; Y44-E47 PolarHBondContact O-N 3.48Å; Y44-E47 VanDerWaalsContact O-N 3.16Å; Y44-L48 HydrophobicContact CD1-CD1 3.82Å; Y44-L48 HydrophobicContact CD1-CG 4.45Å; Y44-L48 HydrophobicContact CE1-CD1 3.48Å; Y44-L48 VanDerWaalsContact CE1-CD1 3.48Å; Y44-L48 HydrophobicContact CE1-CG 4.1Å; Y44-L48 WeakPolarHBondContact O-CG 3.49Å; Y44-L48 PolarHBondContact O-N 3.03Å; Y44-L89 HydrophobicContact CD1-CD2 3.79Å; Y44-L89 HydrophobicContact CE1-CD2 3.97Å; Y44-A93 WeakPolarHBondContact OH-CB 3.2Å
45	C	96.3	Very high	92.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-30.8	173.4	-71.6	0	0	0	0	112.8	V41 A43 V49 A62 K66	V41-C45 VanDerWaalsContact O-CB 3.31Å; V41-C45 WeakPolarHBondContact O-CB 3.5Å; V41-C45 PolarHBondContact O-N 3.21Å; V41-C45 PolarHBondContact O-SG 2.93Å; A43-C45 PolarHBondContact O-N 2.9Å; C45-V49 WeakPolarHBondContact O-CG2 3.34Å; C45-V49 PolarHBondContact O-N 2.91Å; C45-A62 HydrophobicContact CB-CB 4.01Å; C45-K66 HydrophobicContact CB-CD 4.3Å; C45-K66 HydrophobicContact CB-CG 4.14Å
46	G	94.6	Very high	92.7	Very high	30 Å²	30	41.1 Å²	41.1	31%	0.309	25%	0.246	S	C	.	.	H	α-helix	trans	-66	-40.6	172.8	0	0	0	0	0	112.1	F42 A43 Y44 G50	F42-G46 PolarHBondContact O-N 2.97Å; A43-G46 CarbonylContact O-C 3.27Å; A43-G46 WeakPolarHBondContact O-CA 3.36Å; A43-G46 PolarHBondContact O-N 2.74Å; Y44-G46 PolarHBondContact O-N 3.46Å; G46-G50 WeakPolarHBondContact O-CA 3.34Å; G46-G50 PolarHBondContact O-N 2.81Å
47	E	93.7	Very high	92.6	Very high	90 Å²	90	45 Å²	45	42%	0.421	26%	0.259	S	S	.	.	H	α-helix	trans	-66.3	-43	174.1	-170.8	-178.6	169.8	0	0	112.1	R25 G30 A43 Y44 V49	R25-E47 PolarHBondContact NH1-O 2.96Å; G30-E47 PolarHBondContact N-OE1 3.01Å; A43-E47 PolarHBondContact O-N 3.24Å; Y44-E47 WeakPolarHBondContact O-CB 3.48Å; Y44-E47 PolarHBondContact O-N 3.48Å; Y44-E47 VanDerWaalsContact O-N 3.16Å; E47-V49 VanDerWaalsContact C-N 3.34Å; E47-V49 PolarHBondContact O-N 3.19Å
48	L	94	Very high	92.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-57.8	-42.2	176.8	-80	170.1	0	0	0	112.9	R25 V29 Y44 L58 I92 V96	R25-L48 PolarHBondContact NH1-O 3.33Å; R25-L48 PolarHBondContact NH2-O 3.44Å; V29-L48 HydrophobicContact CB-CD2 4.44Å; V29-L48 HydrophobicContact CG1-CD2 3.51Å; V29-L48 HydrophobicContact CG1-CG 4.02Å; V29-L48 HydrophobicContact CG2-CD2 4.25Å; Y44-L48 HydrophobicContact CD1-CD1 3.82Å; Y44-L48 HydrophobicContact CD1-CG 4.45Å; Y44-L48 HydrophobicContact CE1-CD1 3.48Å; Y44-L48 VanDerWaalsContact CE1-CD1 3.48Å; Y44-L48 HydrophobicContact CE1-CG 4.1Å; Y44-L48 WeakPolarHBondContact O-CG 3.49Å; Y44-L48 PolarHBondContact O-N 3.03Å; L48-L58 HydrophobicContact CB-CD1 4.33Å; L48-L58 HydrophobicContact CB-CD2 4.29Å; L48-L58 HydrophobicContact CB-CG 4.47Å; L48-L58 HydrophobicContact CD1-CD1 4.4Å; L48-L58 HydrophobicContact CD2-CD1 4.28Å; L48-L58 VanDerWaalsContact O-CD2 3.25Å; L48-L58 WeakPolarHBondContact O-CD2 3.32Å; L48-I92 HydrophobicContact CD1-CG2 3.94Å; L48-V96 HydrophobicContact CD2-CG2 4.21Å
49	V	93.7	Very high	92.5	Very high	20 Å²	20	48.3 Å²	48.3	12%	0.121	27%	0.269	C	S	.	.	H	α-helix	trans	-98.5	-26.5	-177.3	-56.2	0	0	0	0	113.2	C45 E47 L52 L58 A62	C45-V49 WeakPolarHBondContact O-CG2 3.34Å; C45-V49 PolarHBondContact O-N 2.91Å; E47-V49 VanDerWaalsContact C-N 3.34Å; E47-V49 PolarHBondContact O-N 3.19Å; V49-L52 VanDerWaalsContact O-CB 3.23Å; V49-L52 WeakPolarHBondContact O-CB 3.49Å; V49-L52 WeakPolarHBondContact O-CG 3.32Å; V49-L52 PolarHBondContact O-N 3.12Å; V49-L52 VanDerWaalsContact O-N 3.08Å; V49-L58 HydrophobicContact CG1-CG 4.23Å; V49-A62 HydrophobicContact CG1-CB 3.77Å
50	G	87.3	Confident	92.4	Very high	40 Å²	40	47 Å²	47	41%	0.412	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.1	-144.3	-176.9	0	0	0	0	0	113.6	G46	G46-G50 WeakPolarHBondContact O-CA 3.34Å; G46-G50 PolarHBondContact O-N 2.81Å
51	H	86.1	Confident	92.4	Very high	163 Å²	163	46.9 Å²	46.9	76%	0.755	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	16.7	165.8	-66.8	-66.4	0	0	0	112.5	L10 P53	L10-H51 WeakPolarHBondContact CB-O 3.39Å; L10-H51 CarbonylContact O-C 3.59Å; L10-H51 VanDerWaalsContact O-C 3.27Å; L10-H51 VanDerWaalsContact O-O 3.14Å; H51-P53 WeakPolarHBondContact O-CD 3.35Å
52	L	87.2	Confident	92.4	Very high	8 Å²	8	47 Å²	47	4%	0.042	28%	0.276	C	S	.	.			trans	-67.1	123.8	-171.9	-60.3	165.2	0	0	0	109.6	L10 G11 L12 R25 V49 V54 C55 R59 A102	L10-L52 WeakPolarHBondContact O-CA 3.44Å; L10-L52 PolarHBondContact O-N 3.11Å; G11-L52 VanDerWaalsContact C-CD2 3.42Å; G11-L52 WeakPolarHBondContact O-CD2 3.39Å; L12-L52 HydrophobicContact CD2-CD2 3.61Å; L12-L52 HydrophobicContact CG-CD2 3.89Å; R25-L52 HydrophobicContact CG-CD1 4.26Å; V49-L52 VanDerWaalsContact O-CB 3.23Å; V49-L52 WeakPolarHBondContact O-CB 3.49Å; V49-L52 WeakPolarHBondContact O-CG 3.32Å; V49-L52 PolarHBondContact O-N 3.12Å; V49-L52 VanDerWaalsContact O-N 3.08Å; L52-V54 VanDerWaalsContact C-N 3.3Å; L52-V54 PolarHBondContact O-N 2.91Å; L52-C55 WeakPolarHBondContact CB-SG 3.43Å; L52-R59 PolarHBondContact O-NH2 3.1Å; L52-A102 HydrophobicContact CD1-CB 3.84Å
53	P	82.9	Confident	92.3	Very high	63 Å²	63	46 Å²	46	41%	0.409	28%	0.278	S	S	.	.	S	Bend	trans	-67.4	-37.7	-177	25.1	-31.7	0	0	0	110.6	L10 L12 H51 R59	L10-P53 HydrophobicContact CB-CG 4.44Å; L10-P53 HydrophobicContact CD1-CB 4.32Å; L10-P53 HydrophobicContact CD1-CG 4.21Å; L12-P53 HydrophobicContact CD1-CG 3.82Å; H51-P53 WeakPolarHBondContact O-CD 3.35Å; P53-R59 PolarHBondContact O-NH2 3.47Å
54	V	82.4	Confident	92.4	Very high	62 Å²	62	48.1 Å²	48.1	38%	0.376	28%	0.275	S	S	.	.			trans	-107.8	107.8	-179.9	-70.9	0	0	0	0	110.8	L12 L52 A102	L12-V54 HydrophobicContact CD1-CG2 4.11Å; L52-V54 VanDerWaalsContact C-N 3.3Å; L52-V54 PolarHBondContact O-N 2.91Å; V54-A102 VanDerWaalsContact O-CA 3.32Å; V54-A102 WeakPolarHBondContact O-CA 3.24Å; V54-A102 WeakPolarHBondContact O-CB 3.4Å
55	C	85.1	Confident	92.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.274	C	S	.	.			trans	-131	-0.8	175.5	-82.1	0	0	0	0	112.8	L52 W57 L58 R59 P101	L52-C55 WeakPolarHBondContact CB-SG 3.43Å; C55-W57 PolarHBondContact O-N 3.49Å; C55-L58 HydrophobicContact CB-CB 4.39Å; C55-L58 WeakPolarHBondContact O-CA 3.5Å; C55-L58 WeakPolarHBondContact O-CB 3.46Å; C55-L58 PolarHBondContact O-N 2.89Å; C55-R59 HydrophobicContact CB-CB 4.21Å; C55-P101 WeakPolarHBondContact O-CB 3.37Å; C55-P101 WeakPolarHBondContact O-CG 3.29Å
56	G	89.7	Confident	92.4	Very high	55 Å²	55	50.3 Å²	50.3	57%	0.567	29%	0.285	S	S	*	.	H	α-helix	trans	41	-123.3	178.7	0	0	0	0	0	114	L58 R59	G56-L58 VanDerWaalsContact C-N 3.25Å; G56-L58 PolarHBondContact O-N 3.32Å; G56-R59 PolarHBondContact O-N 2.88Å
57	W	94.8	Very high	92.5	Very high	90 Å²	90	55.9 Å²	55.9	34%	0.341	30%	0.296	S	S	.	.	H	α-helix	trans	-61	-28.4	179.4	68.4	-97.2	0	0	0	113.9	C55 R59 V60 A61 I92 R95 V96	C55-W57 PolarHBondContact O-N 3.49Å; W57-R59 VanDerWaalsContact C-N 3.3Å; W57-R59 PolarHBondContact O-N 2.86Å; W57-V60 PolarHBondContact O-N 3.5Å; W57-V60 VanDerWaalsContact O-N 3.15Å; W57-A61 HydrophobicContact CE3-CB 3.97Å; W57-A61 HydrophobicContact CZ3-CB 4.04Å; W57-A61 PolarHBondContact O-N 3.38Å; W57-I92 HydrophobicContact CH2-CG2 4.36Å; W57-I92 HydrophobicContact CZ3-CG1 4.4Å; W57-I92 HydrophobicContact CZ3-CG2 4.22Å; W57-R95 HydrophobicContact CH2-CB 3.53Å; W57-R95 HydrophobicContact CZ2-CB 3.75Å; W57-R95 HydrophobicContact CZ3-CB 4.48Å; W57-V96 HydrophobicContact CH2-CG2 3.81Å; W57-V96 HydrophobicContact CZ2-CG2 4.03Å
58	L	95.6	Very high	92.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.4	-34.2	-174.8	-177.6	59.1	0	0	0	112	L48 V49 C55 G56 V60 A61 A62 I92 V96 P101	L48-L58 HydrophobicContact CB-CD1 4.33Å; L48-L58 HydrophobicContact CB-CD2 4.29Å; L48-L58 HydrophobicContact CB-CG 4.47Å; L48-L58 HydrophobicContact CD1-CD1 4.4Å; L48-L58 HydrophobicContact CD2-CD1 4.28Å; L48-L58 VanDerWaalsContact O-CD2 3.25Å; L48-L58 WeakPolarHBondContact O-CD2 3.32Å; V49-L58 HydrophobicContact CG1-CG 4.23Å; C55-L58 HydrophobicContact CB-CB 4.39Å; C55-L58 WeakPolarHBondContact O-CA 3.5Å; C55-L58 WeakPolarHBondContact O-CB 3.46Å; C55-L58 PolarHBondContact O-N 2.89Å; G56-L58 VanDerWaalsContact C-N 3.25Å; G56-L58 PolarHBondContact O-N 3.32Å; L58-V60 VanDerWaalsContact C-N 3.33Å; L58-V60 PolarHBondContact O-N 2.89Å; L58-A61 PolarHBondContact O-N 3.49Å; L58-A62 WeakPolarHBondContact O-CB 3.37Å; L58-A62 PolarHBondContact O-N 3.32Å; L58-I92 HydrophobicContact CD1-CG2 3.51Å; L58-V96 HydrophobicContact CD1-CG2 3.64Å; L58-V96 HydrophobicContact CD2-CG2 3.8Å; L58-V96 HydrophobicContact CG-CG2 4.3Å; L58-P101 HydrophobicContact CB-CG 3.67Å; L58-P101 HydrophobicContact CD2-CG 4.35Å
59	R	95.3	Very high	92.7	Very high	118 Å²	118	52.9 Å²	52.9	45%	0.445	29%	0.287	S	S	.	.	H	α-helix	trans	-66.2	-38.8	176.4	-167.5	176.1	-66.1	127.2	-2.5	111.6	L52 P53 C55 G56 W57 A63	L52-R59 PolarHBondContact O-NH2 3.1Å; P53-R59 PolarHBondContact O-NH2 3.47Å; C55-R59 HydrophobicContact CB-CB 4.21Å; G56-R59 PolarHBondContact O-N 2.88Å; W57-R59 VanDerWaalsContact C-N 3.3Å; W57-R59 PolarHBondContact O-N 2.86Å; R59-A63 WeakPolarHBondContact O-CB 3.2Å; R59-A63 PolarHBondContact O-N 3.44Å
60	V	96.2	Very high	92.8	Very high	101 Å²	101	55.3 Å²	55.3	61%	0.612	30%	0.3	S	S	*	.	H	α-helix	trans	-68.2	-46.3	176.8	-179.4	0	0	0	0	110.3	W57 L58 A63 F64	W57-V60 PolarHBondContact O-N 3.5Å; W57-V60 VanDerWaalsContact O-N 3.15Å; L58-V60 VanDerWaalsContact C-N 3.33Å; L58-V60 PolarHBondContact O-N 2.89Å; V60-A63 PolarHBondContact O-N 2.86Å; V60-F64 PolarHBondContact O-N 2.94Å
61	A	96.8	Very high	93.1	Very high	20 Å²	20	57.7 Å²	57.7	17%	0.165	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-47.3	177.9	0	0	0	0	0	112	W57 L58 A63 F64 V65 I92	W57-A61 HydrophobicContact CE3-CB 3.97Å; W57-A61 HydrophobicContact CZ3-CB 4.04Å; W57-A61 PolarHBondContact O-N 3.38Å; L58-A61 PolarHBondContact O-N 3.49Å; A61-A63 VanDerWaalsContact C-N 3.33Å; A61-A63 PolarHBondContact O-N 3.15Å; A61-F64 WeakPolarHBondContact O-CB 3.11Å; A61-F64 PolarHBondContact O-N 3.34Å; A61-F64 VanDerWaalsContact O-N 3.16Å; A61-V65 WeakPolarHBondContact O-CG2 3.22Å; A61-V65 PolarHBondContact O-N 3.49Å; A61-I92 HydrophobicContact CB-CD1 3.78Å; A61-I92 HydrophobicContact CB-CG1 3.99Å
62	A	96.9	Very high	93.5	Very high	3 Å²	3	52.7 Å²	52.7	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-59.3	-42.6	175.6	0	0	0	0	0	112.2	C45 V49 L58 F64 K66	C45-A62 HydrophobicContact CB-CB 4.01Å; V49-A62 HydrophobicContact CG1-CB 3.77Å; L58-A62 WeakPolarHBondContact O-CB 3.37Å; L58-A62 PolarHBondContact O-N 3.32Å; A62-F64 VanDerWaalsContact C-N 3.33Å; A62-F64 PolarHBondContact O-N 3.29Å; A62-K66 WeakPolarHBondContact O-CB 3.5Å; A62-K66 VanDerWaalsContact O-CG 3.27Å; A62-K66 WeakPolarHBondContact O-CG 3.44Å; A62-K66 PolarHBondContact O-N 2.76Å
63	A	96.9	Very high	93.8	Very high	33 Å²	33	52.8 Å²	52.8	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-65.5	-37.4	177	0	0	0	0	0	112.2	R59 V60 A61 R67	R59-A63 WeakPolarHBondContact O-CB 3.2Å; R59-A63 PolarHBondContact O-N 3.44Å; V60-A63 PolarHBondContact O-N 2.86Å; A61-A63 VanDerWaalsContact C-N 3.33Å; A61-A63 PolarHBondContact O-N 3.15Å; A63-R67 WeakPolarHBondContact O-CG 3.35Å; A63-R67 PolarHBondContact O-N 3.46Å; A63-R67 VanDerWaalsContact O-N 3.11Å
64	F	97.1	Very high	94.4	Very high	107 Å²	107	59 Å²	59	47%	0.469	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-51.3	175.7	178.5	-97.5	0	0	0	111.8	V60 A61 A62 K66 R67 A68 L88	V60-F64 PolarHBondContact O-N 2.94Å; A61-F64 WeakPolarHBondContact O-CB 3.11Å; A61-F64 PolarHBondContact O-N 3.34Å; A61-F64 VanDerWaalsContact O-N 3.16Å; A62-F64 VanDerWaalsContact C-N 3.33Å; A62-F64 PolarHBondContact O-N 3.29Å; F64-K66 VanDerWaalsContact C-N 3.34Å; F64-K66 PolarHBondContact O-N 3.29Å; F64-R67 PolarHBondContact O-N 3.25Å; F64-R67 VanDerWaalsContact O-N 3.14Å; F64-A68 PolarHBondContact O-N 2.86Å; F64-L88 HydrophobicContact CD1-CD1 4.45Å; F64-L88 HydrophobicContact CE1-CD1 3.81Å
65	V	96.8	Very high	95	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-40.2	179.3	177.2	0	0	0	0	111.3	V41 A61 R67 A68 A69 I85 L88 L89 I92	V41-V65 HydrophobicContact CG1-CG1 3.58Å; A61-V65 WeakPolarHBondContact O-CG2 3.22Å; A61-V65 PolarHBondContact O-N 3.49Å; V65-R67 VanDerWaalsContact C-N 3.32Å; V65-R67 PolarHBondContact O-N 2.91Å; V65-A68 WeakPolarHBondContact O-CB 3.31Å; V65-A68 PolarHBondContact O-N 3.21Å; V65-A69 PolarHBondContact O-N 2.91Å; V65-I85 HydrophobicContact CG1-CG2 3.91Å; V65-L88 HydrophobicContact CG2-CB 4.27Å; V65-L89 HydrophobicContact CB-CD2 4.37Å; V65-L89 HydrophobicContact CG1-CD1 4.42Å; V65-L89 HydrophobicContact CG1-CD2 3.55Å; V65-L89 HydrophobicContact CG1-CG 3.89Å; V65-L89 HydrophobicContact CG2-CD2 4.36Å; V65-I92 HydrophobicContact CG2-CD1 3.58Å
66	K	97.1	Very high	95.6	Very high	52 Å²	52	64.3 Å²	64.3	23%	0.226	35%	0.346	C	S	.	.	H	α-helix	trans	-56.9	-44	173.5	-76.4	178.9	-173.4	-175.9	0	112.4	F42 C45 A62 F64 A69 N70	F42-K66 HydrophobicContact CD1-CD 3.99Å; F42-K66 HydrophobicContact CD1-CG 4.21Å; F42-K66 HydrophobicContact CD2-CB 4.25Å; F42-K66 HydrophobicContact CD2-CG 3.87Å; F42-K66 HydrophobicContact CE1-CB 4.29Å; F42-K66 HydrophobicContact CE1-CD 3.94Å; F42-K66 HydrophobicContact CE1-CG 4.14Å; F42-K66 HydrophobicContact CE2-CB 3.68Å; F42-K66 HydrophobicContact CE2-CG 3.81Å; F42-K66 WeakPolarHBondContact CE2-O 3.45Å; F42-K66 HydrophobicContact CG-CD 4.3Å; F42-K66 HydrophobicContact CG-CG 4.09Å; F42-K66 HydrophobicContact CZ-CB 3.7Å; F42-K66 HydrophobicContact CZ-CD 4.21Å; F42-K66 HydrophobicContact CZ-CG 3.95Å; C45-K66 HydrophobicContact CB-CD 4.3Å; C45-K66 HydrophobicContact CB-CG 4.14Å; A62-K66 WeakPolarHBondContact O-CB 3.5Å; A62-K66 VanDerWaalsContact O-CG 3.27Å; A62-K66 WeakPolarHBondContact O-CG 3.44Å; A62-K66 PolarHBondContact O-N 2.76Å; F64-K66 VanDerWaalsContact C-N 3.34Å; F64-K66 PolarHBondContact O-N 3.29Å; K66-A69 PolarHBondContact O-N 2.95Å; K66-N70 PolarHBondContact O-N 3.07Å
67	R	96.9	Very high	96	Very high	146 Å²	146	66.1 Å²	66.1	55%	0.551	34%	0.343	S	S	*	.	H	α-helix	trans	-65.5	-41.3	175.9	-73.2	-175	-65	-93	1.2	112	A63 F64 V65 A69 N70 A71	A63-R67 WeakPolarHBondContact O-CG 3.35Å; A63-R67 PolarHBondContact O-N 3.46Å; A63-R67 VanDerWaalsContact O-N 3.11Å; F64-R67 PolarHBondContact O-N 3.25Å; F64-R67 VanDerWaalsContact O-N 3.14Å; V65-R67 VanDerWaalsContact C-N 3.32Å; V65-R67 PolarHBondContact O-N 2.91Å; R67-A69 VanDerWaalsContact C-N 3.34Å; R67-A69 PolarHBondContact O-N 3.5Å; R67-N70 WeakPolarHBondContact O-CB 3.49Å; R67-N70 PolarHBondContact O-N 2.91Å; R67-A71 PolarHBondContact O-N 2.98Å
68	A	95.5	Very high	96	Very high	28 Å²	28	65.5 Å²	65.5	23%	0.231	34%	0.343	C	S	.	.	H	α-helix	trans	-60.6	-43.7	175.4	0	0	0	0	0	111.6	F64 V65 N70 A71 A72 I85	F64-A68 PolarHBondContact O-N 2.86Å; V65-A68 WeakPolarHBondContact O-CB 3.31Å; V65-A68 PolarHBondContact O-N 3.21Å; A68-N70 VanDerWaalsContact C-N 3.34Å; A68-N70 PolarHBondContact O-N 3.27Å; A68-A71 PolarHBondContact O-N 3.34Å; A68-A71 VanDerWaalsContact O-N 3.15Å; A68-A72 WeakPolarHBondContact O-CB 3.36Å; A68-A72 PolarHBondContact O-N 2.97Å; A68-I85 HydrophobicContact CB-CD1 3.92Å; A68-I85 HydrophobicContact CB-CG1 4.37Å
69	A	95.7	Very high	96	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-64.6	-36.7	177.1	0	0	0	0	0	112.9	R38 V41 V65 K66 R67 A71 A72 T73 I80 I85	R38-A69 HydrophobicContact CG-CB 4.47Å; V41-A69 HydrophobicContact CB-CB 4.11Å; V41-A69 HydrophobicContact CG1-CB 3.89Å; V41-A69 HydrophobicContact CG2-CB 4.26Å; V65-A69 PolarHBondContact O-N 2.91Å; K66-A69 PolarHBondContact O-N 2.95Å; R67-A69 VanDerWaalsContact C-N 3.34Å; R67-A69 PolarHBondContact O-N 3.5Å; A69-A71 VanDerWaalsContact C-N 3.33Å; A69-A72 PolarHBondContact O-N 3.46Å; A69-T73 PolarHBondContact O-OG1 2.91Å; A69-I80 HydrophobicContact CB-CD1 3.77Å; A69-I85 HydrophobicContact CB-CD1 4.12Å
70	N	95.9	Very high	96	Very high	72 Å²	72	65.5 Å²	65.5	39%	0.385	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-39.1	172.4	-78	-11.1	0	0	0	112.3	R38 F42 K66 R67 A68 T73	R38-N70 VanDerWaalsContact CD-OD1 3.24Å; R38-N70 WeakPolarHBondContact CD-OD1 3.23Å; R38-N70 PolarHBondContact NH2-O 2.7Å; F42-N70 WeakPolarHBondContact CE2-OD1 3.43Å; K66-N70 PolarHBondContact O-N 3.07Å; R67-N70 WeakPolarHBondContact O-CB 3.49Å; R67-N70 PolarHBondContact O-N 2.91Å; A68-N70 VanDerWaalsContact C-N 3.34Å; A68-N70 PolarHBondContact O-N 3.27Å; N70-T73 VanDerWaalsContact O-O 3.12Å
71	A	94.7	Very high	95.4	Very high	90 Å²	90	67.7 Å²	67.7	74%	0.744	37%	0.366	S	S	*	.	H	α-helix	trans	-73.6	-31.7	178.9	0	0	0	0	0	112.8	R67 A68 A69	R67-A71 PolarHBondContact O-N 2.98Å; A68-A71 PolarHBondContact O-N 3.34Å; A68-A71 VanDerWaalsContact O-N 3.15Å; A69-A71 VanDerWaalsContact C-N 3.33Å
72	A	93.5	Very high	94.3	Very high	57 Å²	57	68 Å²	68	47%	0.471	37%	0.371	S	S	.	.	H	α-helix	trans	-78.1	-19.2	-174	0	0	0	0	0	114.8	A68 A69 I80 I85	A68-A72 WeakPolarHBondContact O-CB 3.36Å; A68-A72 PolarHBondContact O-N 2.97Å; A69-A72 PolarHBondContact O-N 3.46Å; A72-I80 HydrophobicContact CB-CG2 4.21Å; A72-I85 HydrophobicContact CB-CD1 4.1Å
73	T	94.9	Very high	93.6	Very high	10 Å²	10	70.5 Å²	70.5	6%	0.061	40%	0.398	C	S	.	.			trans	-133.4	167.9	-173.6	50.3	0	0	0	0	110.4	R38 A69 N70 E78 I80	R38-T73 PolarHBondContact NE-OG1 3.04Å; R38-T73 PolarHBondContact NH2-O 3.46Å; R38-T73 PolarHBondContact NH2-OG1 3.23Å; A69-T73 PolarHBondContact O-OG1 2.91Å; N70-T73 VanDerWaalsContact O-O 3.12Å; T73-E78 HydrophobicContact CG2-CB 4.18Å; T73-E78 HydrophobicContact CG2-CG 4.04Å; T73-I80 HydrophobicContact CG2-CB 4.42Å; T73-I80 HydrophobicContact CG2-CG1 3.54Å
74	K	94.3	Very high	93.1	Very high	194 Å²	194	73.9 Å²	73.9	84%	0.843	42%	0.415	S	S	*	.	S	Bend	trans	-102.9	-34.7	170.1	-64.9	-178	-177.2	176.5	0	111.8	R38 E78	R38-K74 PolarHBondContact NH1-O 2.78Å; R38-K74 VanDerWaalsContact NH2-C 3.32Å; R38-K74 PolarHBondContact NH2-O 3.46Å; K74-E78 PolarHBondContact N-OE2 3.25Å
75	S	96	Very high	93	Very high	59 Å²	59	69.2 Å²	69.2	41%	0.413	40%	0.395	S	S	.	.	S	Bend	trans	-112	170.8	-178.8	84.5	0	0	0	0	113.8	E78	S75-E78 PolarHBondContact N-OE2 3.38Å; S75-E78 VanDerWaalsContact N-OE2 3.15Å; S75-E78 VanDerWaalsContact OG-CB 3.24Å; S75-E78 WeakPolarHBondContact OG-CB 3.33Å; S75-E78 PolarHBondContact OG-N 2.93Å
76	W	97.6	Very high	93	Very high	115 Å²	115	72.2 Å²	72.2	44%	0.436	41%	0.406	S	S	.	.	S	Bend	trans	-71.4	-32.8	-178.3	-79.6	103.5	0	0	0	113.9	T37 R38 R39 F42	T37-W76 WeakPolarHBondContact CB-O 3.2Å; R38-W76 HydrophobicContact CB-CE3 4.05Å; R38-W76 HydrophobicContact CB-CZ3 4.49Å; R38-W76 VanDerWaalsContact CD-CE3 3.49Å; R38-W76 HydrophobicContact CG-CD2 4.42Å; R38-W76 HydrophobicContact CG-CE3 3.61Å; R38-W76 HydrophobicContact CG-CH2 4.43Å; R38-W76 HydrophobicContact CG-CZ3 3.62Å; R38-W76 PolarHBondContact N-O 3.49Å; R39-W76 HydrophobicContact CB-CE3 4.33Å; R39-W76 PolarHBondContact N-O 3.16Å; F42-W76 HydrophobicContact CB-CZ3 4.25Å; F42-W76 HydrophobicContact CD1-CH2 4.04Å; F42-W76 HydrophobicContact CD1-CZ3 4.07Å; F42-W76 HydrophobicContact CD2-CZ3 4.01Å; F42-W76 HydrophobicContact CE1-CH2 4.06Å; F42-W76 HydrophobicContact CE1-CZ3 4.41Å; F42-W76 HydrophobicContact CE2-CZ3 4.34Å; F42-W76 HydrophobicContact CG-CH2 4.29Å; F42-W76 AromaticContact CG-CZ3 3.85Å; F42-W76 HydrophobicContact CG-CZ3 3.85Å; F42-W76 HydrophobicContact CZ-CH2 4.31Å
77	D	96.7	Very high	92.9	Very high	93 Å²	93	72.6 Å²	72.6	50%	0.497	41%	0.414	S	S	.	.	S	Bend	trans	-113	3.5	-168.9	-58.7	-60.2	0	0	0	112	T37 R39	T37-D77 WeakPolarHBondContact CG2-O 3.49Å; R39-D77 IonicContact CZ-OD1 3.63Å; R39-D77 IonicContact CZ-OD2 3.7Å; R39-D77 IonicContact NE-OD1 2.76Å; R39-D77 PolarHBondContact NE-OD1 3.4Å; R39-D77 IonicContact NE-OD2 3.59Å; R39-D77 IonicContact NH2-OD1 3.59Å; R39-D77 IonicContact NH2-OD2 2.91Å; R39-D77 PolarHBondContact NH2-OD2 3.02Å
78	E	95.3	Very high	92.8	Very high	76 Å²	76	68 Å²	68	36%	0.355	40%	0.4	S	S	.	.	S	Bend	trans	-66.7	132.5	169.7	-179.7	177	-172.1	0	0	110.5	T73 K74 S75 I80	T73-E78 HydrophobicContact CG2-CB 4.18Å; T73-E78 HydrophobicContact CG2-CG 4.04Å; K74-E78 PolarHBondContact N-OE2 3.25Å; S75-E78 PolarHBondContact N-OE2 3.38Å; S75-E78 VanDerWaalsContact N-OE2 3.15Å; S75-E78 VanDerWaalsContact OG-CB 3.24Å; S75-E78 WeakPolarHBondContact OG-CB 3.33Å; S75-E78 PolarHBondContact OG-N 2.93Å; E78-I80 PolarHBondContact O-N 3.11Å
79	P	95.6	Very high	92.9	Very high	106 Å²	106	66.7 Å²	66.7	69%	0.688	39%	0.389	S	S	*	.	B	Isolated β-bridge	trans	-59.8	134.7	174	-24	34.3	0	0	0	112
80	I	94.7	Very high	92.9	Very high	13 Å²	13	70.8 Å²	70.8	7%	0.067	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-87.2	128.9	171.6	-64.3	171.2	0	0	0	107.8	L36 V41 A69 A72 T73 E78 G82 I85	L36-I80 HydrophobicContact CB-CB 4.07Å; L36-I80 HydrophobicContact CB-CD1 4.47Å; L36-I80 PolarHBondContact O-N 3.14Å; V41-I80 HydrophobicContact CG2-CD1 3.73Å; A69-I80 HydrophobicContact CB-CD1 3.77Å; A72-I80 HydrophobicContact CB-CG2 4.21Å; T73-I80 HydrophobicContact CG2-CB 4.42Å; T73-I80 HydrophobicContact CG2-CG1 3.54Å; E78-I80 PolarHBondContact O-N 3.11Å; I80-G82 PolarHBondContact O-N 3.05Å; I80-G82 VanDerWaalsContact O-N 3.15Å; I80-I85 HydrophobicContact CD1-CD1 4.33Å; I80-I85 HydrophobicContact CG2-CB 4.13Å; I80-I85 HydrophobicContact CG2-CD1 3.7Å; I80-I85 HydrophobicContact CG2-CG1 4.04Å
81	D	84.2	Confident	92.9	Very high	146 Å²	146	72.2 Å²	72.2	78%	0.781	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-60	117.9	167.7	-173.4	1.2	0	0	0	109.6	G83	D81-G83 PolarHBondContact O-N 3.02Å
82	G	73	Confident	93	Very high	26 Å²	26	68.6 Å²	68.6	27%	0.268	38%	0.384	S	S	.	.	H	α-helix	trans	-66.4	-10.7	-166.2	0	0	0	0	0	114.7	I80 T84 R86 P87	I80-G82 PolarHBondContact O-N 3.05Å; I80-G82 VanDerWaalsContact O-N 3.15Å; G82-T84 VanDerWaalsContact C-N 3.29Å; G82-T84 PolarHBondContact O-N 3.41Å; G82-T84 VanDerWaalsContact O-N 3.08Å; G82-R86 WeakPolarHBondContact O-CB 3.36Å; G82-R86 PolarHBondContact O-N 3.41Å; G82-P87 WeakPolarHBondContact O-CD 3.41Å
83	G	82.5	Confident	93.2	Very high	57 Å²	57	66.3 Å²	66.3	59%	0.588	37%	0.365	S	S	*	.	H	α-helix	trans	-50.2	-40.4	-167.9	0	0	0	0	0	115.6	D81	D81-G83 PolarHBondContact O-N 3.02Å
84	T	87.9	Confident	93.2	Very high	104 Å²	104	68.5 Å²	68.5	64%	0.638	38%	0.384	S	S	*	.	H	α-helix	trans	-113.3	-35.8	-176.7	-45.3	0	0	0	0	113.3	G82 L88	G82-T84 VanDerWaalsContact C-N 3.29Å; G82-T84 PolarHBondContact O-N 3.41Å; G82-T84 VanDerWaalsContact O-N 3.08Å; T84-L88 HydrophobicContact CG2-CD1 4.21Å; T84-L88 WeakPolarHBondContact O-CD1 3.42Å; T84-L88 VanDerWaalsContact O-CG 3.29Å; T84-L88 WeakPolarHBondContact O-CG 3.36Å
85	I	94.9	Very high	93.3	Very high	8 Å²	8	67 Å²	67	4%	0.041	37%	0.373	C	S	.	.	H	α-helix	trans	-79.8	-36.2	-170.6	-58.1	-161.7	0	0	0	111.9	L36 V41 V65 A68 A69 A72 I80 L88 L89	L36-I85 HydrophobicContact CD1-CG2 4.35Å; V41-I85 HydrophobicContact CG2-CG2 4.22Å; V65-I85 HydrophobicContact CG1-CG2 3.91Å; A68-I85 HydrophobicContact CB-CD1 3.92Å; A68-I85 HydrophobicContact CB-CG1 4.37Å; A69-I85 HydrophobicContact CB-CD1 4.12Å; A72-I85 HydrophobicContact CB-CD1 4.1Å; I80-I85 HydrophobicContact CD1-CD1 4.33Å; I80-I85 HydrophobicContact CG2-CB 4.13Å; I80-I85 HydrophobicContact CG2-CD1 3.7Å; I80-I85 HydrophobicContact CG2-CG1 4.04Å; I85-L88 PolarHBondContact O-N 2.87Å; I85-L89 HydrophobicContact CG2-CD1 4.14Å; I85-L89 HydrophobicContact CG2-CG 4.41Å; I85-L89 WeakPolarHBondContact O-CG 3.44Å; I85-L89 PolarHBondContact O-N 2.94Å; I85-L89 VanDerWaalsContact O-N 3.07Å
86	R	95.3	Very high	93.2	Very high	65 Å²	65	64.8 Å²	64.8	25%	0.245	36%	0.357	C	S	.	.	H	α-helix	trans	-62.4	-53.2	178.8	170.7	169.8	-65.8	-67.2	-5.8	112.1	P33 Q34 L36 G82 L88 L89 E90	P33-R86 PolarHBondContact O-NH2 3.45Å; Q34-R86 PolarHBondContact O-NH2 3.18Å; L36-R86 HydrophobicContact CD1-CB 3.69Å; G82-R86 WeakPolarHBondContact O-CB 3.36Å; G82-R86 PolarHBondContact O-N 3.41Å; R86-L88 VanDerWaalsContact C-N 3.27Å; R86-L88 PolarHBondContact O-N 3.49Å; R86-L89 PolarHBondContact O-N 3.29Å; R86-L89 VanDerWaalsContact O-N 3.09Å; R86-E90 WeakPolarHBondContact CD-OE1 3.48Å; R86-E90 HydrophobicContact CG-CG 4.36Å; R86-E90 WeakPolarHBondContact CG-OE1 3.18Å; R86-E90 IonicContact NH1-OE1 3.17Å; R86-E90 PolarHBondContact NH1-OE1 3.42Å; R86-E90 WeakPolarHBondContact O-CG 3.36Å; R86-E90 PolarHBondContact O-N 2.85Å
87	P	95.1	Very high	93	Very high	59 Å²	59	66.3 Å²	66.3	38%	0.383	37%	0.367	S	S	.	.	H	α-helix	trans	-56.9	-40.6	178.1	-26.1	35	0	0	0	112.7	G82 L89 E90 D91	G82-P87 WeakPolarHBondContact O-CD 3.41Å; P87-L89 PolarHBondContact O-N 3.31Å; P87-E90 PolarHBondContact O-N 2.77Å; P87-D91 WeakPolarHBondContact O-CB 3.45Å; P87-D91 PolarHBondContact O-N 3.09Å
88	L	95.4	Very high	92.9	Very high	50 Å²	50	69.6 Å²	69.6	26%	0.262	38%	0.379	S	S	.	.	H	α-helix	trans	-61.4	-42	176.9	-73.5	170.9	0	0	0	112.8	F64 V65 T84 I85 R86 I92	F64-L88 HydrophobicContact CD1-CD1 4.45Å; F64-L88 HydrophobicContact CE1-CD1 3.81Å; V65-L88 HydrophobicContact CG2-CB 4.27Å; T84-L88 HydrophobicContact CG2-CD1 4.21Å; T84-L88 WeakPolarHBondContact O-CD1 3.42Å; T84-L88 VanDerWaalsContact O-CG 3.29Å; T84-L88 WeakPolarHBondContact O-CG 3.36Å; I85-L88 PolarHBondContact O-N 2.87Å; R86-L88 VanDerWaalsContact C-N 3.27Å; R86-L88 PolarHBondContact O-N 3.49Å; L88-I92 WeakPolarHBondContact O-CB 3.49Å; L88-I92 WeakPolarHBondContact O-CD1 3.48Å; L88-I92 WeakPolarHBondContact O-CG1 3.48Å; L88-I92 PolarHBondContact O-N 3.07Å
89	L	97	Very high	92.7	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-67.8	-38.9	177.2	-75.6	176.9	0	0	0	112	V32 L36 V41 Y44 V65 I85 R86 P87 I92 A93	V32-L89 HydrophobicContact CG1-CB 3.84Å; V32-L89 HydrophobicContact CG1-CD1 4.12Å; V32-L89 HydrophobicContact CG2-CB 4.09Å; L36-L89 HydrophobicContact CD1-CD1 4.45Å; L36-L89 HydrophobicContact CD2-CD1 3.92Å; V41-L89 HydrophobicContact CG2-CD1 4.2Å; Y44-L89 HydrophobicContact CD1-CD2 3.79Å; Y44-L89 HydrophobicContact CE1-CD2 3.97Å; V65-L89 HydrophobicContact CB-CD2 4.37Å; V65-L89 HydrophobicContact CG1-CD1 4.42Å; V65-L89 HydrophobicContact CG1-CD2 3.55Å; V65-L89 HydrophobicContact CG1-CG 3.89Å; V65-L89 HydrophobicContact CG2-CD2 4.36Å; I85-L89 HydrophobicContact CG2-CD1 4.14Å; I85-L89 HydrophobicContact CG2-CG 4.41Å; I85-L89 WeakPolarHBondContact O-CG 3.44Å; I85-L89 PolarHBondContact O-N 2.94Å; I85-L89 VanDerWaalsContact O-N 3.07Å; R86-L89 PolarHBondContact O-N 3.29Å; R86-L89 VanDerWaalsContact O-N 3.09Å; P87-L89 PolarHBondContact O-N 3.31Å; L89-I92 PolarHBondContact O-N 3.17Å; L89-A93 WeakPolarHBondContact O-CB 3.27Å; L89-A93 PolarHBondContact O-N 3.27Å
90	E	96.1	Very high	92.6	Very high	86 Å²	86	67 Å²	67	40%	0.402	36%	0.359	S	S	.	.	H	α-helix	trans	-66.1	-43	177.2	-72.2	168.5	-177.4	0	0	111.2	V32 R86 P87 A93 A94	V32-E90 HydrophobicContact CG2-CG 4.15Å; R86-E90 WeakPolarHBondContact CD-OE1 3.48Å; R86-E90 HydrophobicContact CG-CG 4.36Å; R86-E90 WeakPolarHBondContact CG-OE1 3.18Å; R86-E90 IonicContact NH1-OE1 3.17Å; R86-E90 PolarHBondContact NH1-OE1 3.42Å; R86-E90 WeakPolarHBondContact O-CG 3.36Å; R86-E90 PolarHBondContact O-N 2.85Å; P87-E90 PolarHBondContact O-N 2.77Å; E90-A93 WeakPolarHBondContact O-CB 3.45Å; E90-A93 PolarHBondContact O-N 3.46Å; E90-A94 WeakPolarHBondContact O-CB 3.45Å; E90-A94 PolarHBondContact O-N 3.32Å
91	D	96.3	Very high	92.6	Very high	102 Å²	102	67.4 Å²	67.4	55%	0.545	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-43.7	174.1	-78.5	-12.8	0	0	0	112.2	P87 A93 A94 R95	P87-D91 WeakPolarHBondContact O-CB 3.45Å; P87-D91 PolarHBondContact O-N 3.09Å; D91-A93 VanDerWaalsContact C-N 3.35Å; D91-A94 PolarHBondContact O-N 3.15Å; D91-R95 WeakPolarHBondContact O-CB 3.38Å; D91-R95 WeakPolarHBondContact O-CG 3.47Å; D91-R95 PolarHBondContact O-N 3.47Å
92	I	97.1	Very high	92.9	Very high	14 Å²	14	60.5 Å²	60.5	7%	0.072	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-46.6	175.1	-70.9	164.5	0	0	0	109.9	L48 W57 L58 A61 V65 L88 L89 A94 R95 V96	L48-I92 HydrophobicContact CD1-CG2 3.94Å; W57-I92 HydrophobicContact CH2-CG2 4.36Å; W57-I92 HydrophobicContact CZ3-CG1 4.4Å; W57-I92 HydrophobicContact CZ3-CG2 4.22Å; L58-I92 HydrophobicContact CD1-CG2 3.51Å; A61-I92 HydrophobicContact CB-CD1 3.78Å; A61-I92 HydrophobicContact CB-CG1 3.99Å; V65-I92 HydrophobicContact CG2-CD1 3.58Å; L88-I92 WeakPolarHBondContact O-CB 3.49Å; L88-I92 WeakPolarHBondContact O-CD1 3.48Å; L88-I92 WeakPolarHBondContact O-CG1 3.48Å; L88-I92 PolarHBondContact O-N 3.07Å; L89-I92 PolarHBondContact O-N 3.17Å; I92-A94 PolarHBondContact O-N 2.79Å; I92-R95 PolarHBondContact O-N 3.23Å; I92-V96 HydrophobicContact CG2-CG2 4.43Å; I92-V96 WeakPolarHBondContact O-CG2 3.44Å; I92-V96 PolarHBondContact O-N 2.97Å
93	A	96.5	Very high	93.8	Very high	10 Å²	10	65.3 Å²	65.3	8%	0.083	34%	0.335	C	S	.	.	H	α-helix	trans	-60.7	-45.5	179.5	0	0	0	0	0	111.6	V32 Y44 L89 E90 D91 V96 K97	V32-A93 HydrophobicContact CG2-CB 3.97Å; Y44-A93 WeakPolarHBondContact OH-CB 3.2Å; L89-A93 WeakPolarHBondContact O-CB 3.27Å; L89-A93 PolarHBondContact O-N 3.27Å; E90-A93 WeakPolarHBondContact O-CB 3.45Å; E90-A93 PolarHBondContact O-N 3.46Å; D91-A93 VanDerWaalsContact C-N 3.35Å; A93-V96 PolarHBondContact O-N 3.21Å; A93-K97 WeakPolarHBondContact O-CG 3.44Å; A93-K97 PolarHBondContact O-N 3.29Å
94	A	96	Very high	94.1	Very high	56 Å²	56	65.7 Å²	65.7	46%	0.463	34%	0.339	S	S	.	.	H	α-helix	trans	-60.3	-46.9	176.9	0	0	0	0	0	111.4	E90 D91 I92 V96 K97 E98	E90-A94 WeakPolarHBondContact O-CB 3.45Å; E90-A94 PolarHBondContact O-N 3.32Å; D91-A94 PolarHBondContact O-N 3.15Å; I92-A94 PolarHBondContact O-N 2.79Å; A94-V96 PolarHBondContact O-N 2.88Å; A94-K97 WeakPolarHBondContact O-CB 3.49Å; A94-K97 PolarHBondContact O-N 3.46Å; A94-E98 PolarHBondContact O-N 3.49Å
95	R	95.9	Very high	94.4	Very high	162 Å²	162	63.8 Å²	63.8	61%	0.611	32%	0.324	S	S	*	.	H	α-helix	trans	-65.3	-35.2	177.5	-76.4	-174.7	173.5	171.9	1.6	113.5	W57 D91 I92 E98 H99	W57-R95 HydrophobicContact CH2-CB 3.53Å; W57-R95 HydrophobicContact CZ2-CB 3.75Å; W57-R95 HydrophobicContact CZ3-CB 4.48Å; D91-R95 WeakPolarHBondContact O-CB 3.38Å; D91-R95 WeakPolarHBondContact O-CG 3.47Å; D91-R95 PolarHBondContact O-N 3.47Å; I92-R95 PolarHBondContact O-N 3.23Å; R95-E98 PolarHBondContact O-N 2.95Å; R95-H99 CarbonylContact O-C 3.38Å; R95-H99 WeakPolarHBondContact O-CA 3.24Å; R95-H99 PolarHBondContact O-N 2.95Å
96	V	94.9	Very high	94.4	Very high	13 Å²	13	66.7 Å²	66.7	8%	0.079	34%	0.339	C	S	.	.	H	α-helix	trans	-67.2	-40.1	173.4	170.2	0	0	0	0	110.8	L48 W57 L58 I92 A93 A94 E98 D100	L48-V96 HydrophobicContact CD2-CG2 4.21Å; W57-V96 HydrophobicContact CH2-CG2 3.81Å; W57-V96 HydrophobicContact CZ2-CG2 4.03Å; L58-V96 HydrophobicContact CD1-CG2 3.64Å; L58-V96 HydrophobicContact CD2-CG2 3.8Å; L58-V96 HydrophobicContact CG-CG2 4.3Å; I92-V96 HydrophobicContact CG2-CG2 4.43Å; I92-V96 WeakPolarHBondContact O-CG2 3.44Å; I92-V96 PolarHBondContact O-N 2.97Å; A93-V96 PolarHBondContact O-N 3.21Å; A94-V96 PolarHBondContact O-N 2.88Å; V96-E98 VanDerWaalsContact C-N 3.32Å; V96-E98 PolarHBondContact O-N 3.15Å; V96-D100 HydrophobicContact CG1-CB 4.2Å; V96-D100 WeakPolarHBondContact O-CA 3.06Å; V96-D100 WeakPolarHBondContact O-CB 3.46Å; V96-D100 PolarHBondContact O-N 3.44Å
97	K	93.1	Very high	94.3	Very high	147 Å²	147	66.8 Å²	66.8	64%	0.639	34%	0.344	S	S	*	.	H	α-helix	trans	-62.5	-38.6	175.7	-73	175	-177.6	-178.4	0	111.8	D31 A93 A94	D31-K97 IonicContact OD1-NZ 3.09Å; D31-K97 PolarHBondContact OD1-NZ 3.45Å; D31-K97 VanDerWaalsContact OD1-NZ 3.09Å; A93-K97 WeakPolarHBondContact O-CG 3.44Å; A93-K97 PolarHBondContact O-N 3.29Å; A94-K97 WeakPolarHBondContact O-CB 3.49Å; A94-K97 PolarHBondContact O-N 3.46Å
98	E	93.3	Very high	94.3	Very high	162 Å²	162	67.2 Å²	67.2	76%	0.757	34%	0.342	S	S	*	.	H	α-helix	trans	-77.5	-46.5	178.5	-173.2	-179.5	179.2	0	0	113	A94 R95 V96	A94-E98 PolarHBondContact O-N 3.49Å; R95-E98 PolarHBondContact O-N 2.95Å; V96-E98 VanDerWaalsContact C-N 3.32Å; V96-E98 PolarHBondContact O-N 3.15Å
99	H	92	Very high	94.2	Very high	99 Å²	99	68.3 Å²	68.3	46%	0.458	35%	0.347	S	S	.	.	H	α-helix	trans	-147.5	74.3	-173.2	-170.6	-59.7	0	0	0	111.3	R95 P101 R103	R95-H99 CarbonylContact O-C 3.38Å; R95-H99 WeakPolarHBondContact O-CA 3.24Å; R95-H99 PolarHBondContact O-N 2.95Å; H99-P101 VanDerWaalsContact O-CD 3.32Å; H99-P101 WeakPolarHBondContact O-CD 3.35Å; H99-R103 PolarHBondContact CD2-NH2 3.04Å; H99-R103 PolarHBondContact NE2-NH2 3.08Å
100	D	93.4	Very high	94	Very high	29 Å²	29	72.9 Å²	72.9	16%	0.155	37%	0.37	C	S	.	.			trans	-60	120.8	173.8	-166.6	-16.3	0	0	0	110.5	R25 V96 A102 R103	R25-D100 IonicContact CZ-OD1 3.98Å; R25-D100 IonicContact CZ-OD2 3.54Å; R25-D100 IonicContact NE-OD1 3.83Å; R25-D100 IonicContact NE-OD2 2.7Å; R25-D100 PolarHBondContact NE-OD2 2.66Å; R25-D100 IonicContact NH2-OD1 3.21Å; R25-D100 PolarHBondContact NH2-OD1 2.76Å; R25-D100 IonicContact NH2-OD2 3.5Å; V96-D100 HydrophobicContact CG1-CB 4.2Å; V96-D100 WeakPolarHBondContact O-CA 3.06Å; V96-D100 WeakPolarHBondContact O-CB 3.46Å; V96-D100 PolarHBondContact O-N 3.44Å; D100-A102 PolarHBondContact O-N 3.15Å; D100-A102 WeakPolarHBondContact OD1-CB 3.38Å; D100-A102 PolarHBondContact OD1-N 3.36Å; D100-R103 VanDerWaalsContact O-CD 3.23Å; D100-R103 WeakPolarHBondContact O-CD 3.45Å; D100-R103 VanDerWaalsContact O-CG 3.25Å; D100-R103 WeakPolarHBondContact O-CG 3.43Å
101	P	93.6	Very high	93.9	Very high	21 Å²	21	71.9 Å²	71.9	14%	0.136	37%	0.368	C	S	.	.	S	Bend	trans	-70.4	-11.7	176.7	28.8	-35.1	0	0	0	113.6	C55 L58 H99 R103	C55-P101 WeakPolarHBondContact O-CB 3.37Å; C55-P101 WeakPolarHBondContact O-CG 3.29Å; L58-P101 HydrophobicContact CB-CG 3.67Å; L58-P101 HydrophobicContact CD2-CG 4.35Å; H99-P101 VanDerWaalsContact O-CD 3.32Å; H99-P101 WeakPolarHBondContact O-CD 3.35Å; P101-R103 PolarHBondContact O-N 3.46Å
102	A	92.5	Very high	93.7	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.354	C	S	.	.	S	Bend	trans	-81.7	51	176	0	0	0	0	0	112.5	L12 A24 R25 L52 V54 D100	L12-A102 HydrophobicContact CD2-CB 4.24Å; A24-A102 CarbonylContact C-O 3.54Å; A24-A102 VanDerWaalsContact C-O 3.3Å; A24-A102 WeakPolarHBondContact CA-O 3.5Å; R25-A102 HydrophobicContact CB-CB 4.23Å; R25-A102 PolarHBondContact N-O 3.01Å; L52-A102 HydrophobicContact CD1-CB 3.84Å; V54-A102 VanDerWaalsContact O-CA 3.32Å; V54-A102 WeakPolarHBondContact O-CA 3.24Å; V54-A102 WeakPolarHBondContact O-CB 3.4Å; D100-A102 PolarHBondContact O-N 3.15Å; D100-A102 WeakPolarHBondContact OD1-CB 3.38Å; D100-A102 PolarHBondContact OD1-N 3.36Å
103	R	90.6	Very high	93.4	Very high	127 Å²	127	74.3 Å²	74.3	48%	0.479	38%	0.378	S	S	.	.			trans	-142.3	160.8	179.9	74.5	-172.1	-174.9	172.4	4.4	112.3	W23 H99 D100 P101	W23-R103 VanDerWaalsContact NE1-C 3.26Å; W23-R103 PolarHBondContact NE1-O 3.05Å; W23-R103 CarbonylContact O-C 3.44Å; W23-R103 VanDerWaalsContact O-CA 3.22Å; W23-R103 WeakPolarHBondContact O-CA 3.49Å; H99-R103 PolarHBondContact CD2-NH2 3.04Å; H99-R103 PolarHBondContact NE2-NH2 3.08Å; D100-R103 VanDerWaalsContact O-CD 3.23Å; D100-R103 WeakPolarHBondContact O-CD 3.45Å; D100-R103 VanDerWaalsContact O-CG 3.25Å; D100-R103 WeakPolarHBondContact O-CG 3.43Å; P101-R103 PolarHBondContact O-N 3.46Å
104	G	89.3	Confident	93.2	Very high	65 Å²	65	80.1 Å²	80.1	67%	0.67	40%	0.404	S	S	*	.			trans	176.2	0	173.6	0	0	0	0	0	113.5	T22 W23	T22-G104 CarbonylContact C-O 3.56Å; T22-G104 WeakPolarHBondContact CA-O 3.36Å; W23-G104 VanDerWaalsContact CE2-CA 3.48Å; W23-G104 PolarHBondContact N-O 3.48Å; W23-G104 PolarHBondContact O-N 2.96Å

Retrieved 104 of 104 residues in 240.9 ms (Link to these results)

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