A0A077ZLY7_TRITR Loading...

Glycogen [starch] synthase

Transfers the glycosyl residue from UDP-Glc to the non-reducing end of alpha-1,4-glucan.

AlphaFold DB , UniProt , Accession A0A077ZLY7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 172 aa.

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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	V	33.8	Very low	27.9	Very low	70 Å²	70	102.1 Å²	102.1	42%	0.424	60%	0.595	S	S	.	*				0	88.1	0	-172.4	0	0	0	0	108.4	F3 Q51 I55	V1-F3 HydrophobicContact CG1-CD2 4.28Å; V1-F3 HydrophobicContact CG1-CE2 4.06Å; V1-F3 PolarHBondContact O-N 3.04Å; V1-Q51 PolarHBondContact N-O 3.23Å; V1-I55 HydrophobicContact CG1-CD1 3.84Å
2	V	27.9	Very low	27.8	Very low	59 Å²	59	99.9 Å²	99.9	36%	0.358	60%	0.598	S	S	.	*			trans	-92.1	102	172.6	167.6	0	0	0	0	106.8	S4 L48 Y52	V2-S4 PolarHBondContact O-N 2.86Å; V2-L48 HydrophobicContact CB-CD1 3.87Å; V2-L48 HydrophobicContact CG1-CD1 4.44Å; V2-L48 HydrophobicContact CG2-CD1 3.25Å; V2-Y52 HydrophobicContact CB-CD2 3.78Å; V2-Y52 HydrophobicContact CB-CE2 3.77Å; V2-Y52 HydrophobicContact CG1-CE2 4.21Å; V2-Y52 WeakPolarHBondContact O-CE2 3.46Å
3	F	34.9	Very low	27.6	Very low	107 Å²	107	97.5 Å²	97.5	47%	0.469	58%	0.584	S	S	.	*			trans	-53.7	123.5	153.1	-73.1	-91.7	0	0	0	105.9	V1 A5 V148 L152	V1-F3 HydrophobicContact CG1-CD2 4.28Å; V1-F3 HydrophobicContact CG1-CE2 4.06Å; V1-F3 PolarHBondContact O-N 3.04Å; F3-A5 HydrophobicContact CB-CB 4.34Å; F3-A5 PolarHBondContact O-N 3.45Å; F3-V148 HydrophobicContact CZ-CG1 3.98Å; F3-L152 HydrophobicContact CE2-CD1 4.45Å; F3-L152 HydrophobicContact CZ-CD1 4.44Å
4	S	28.8	Very low	27.7	Very low	77 Å²	77	92 Å²	92	54%	0.538	56%	0.555	S	S	.	*	S	Bend	trans	-66.3	64.8	154.4	166.7	0	0	0	0	108.2	V2	V2-S4 PolarHBondContact O-N 2.86Å
5	A	27.1	Very low	27.8	Very low	55 Å²	55	90.7 Å²	90.7	46%	0.455	54%	0.539	S	S	.	.	S	Bend	trans	-160.7	95.4	164.6	0	0	0	0	0	103.7	F3 I7	F3-A5 HydrophobicContact CB-CB 4.34Å; F3-A5 PolarHBondContact O-N 3.45Å; A5-I7 PolarHBondContact O-N 2.96Å
6	S	23.2	Very low	27.8	Very low	123 Å²	123	90.5 Å²	90.5	86%	0.86	54%	0.538	S	S	*	.			trans	-55.2	100.1	177.4	-175.6	0	0	0	0	110.4
7	I	26.5	Very low	27.4	Very low	92 Å²	92	95.8 Å²	95.8	47%	0.472	55%	0.547	S	S	.	.			trans	-139.5	102.2	170.7	-60.7	179.7	0	0	0	109.7	A5 A14	A5-I7 PolarHBondContact O-N 2.96Å; I7-A14 HydrophobicContact CD1-CB 3.85Å; I7-A14 HydrophobicContact CG2-CB 4.09Å
8	K	24	Very low	27.7	Very low	189 Å²	189	94.3 Å²	94.3	82%	0.822	54%	0.54	S	S	*	.			trans	-64.1	139	161	-71.1	178.8	176.8	179	0	109.3	D10	K8-D10 PolarHBondContact O-N 3.14Å
9	S	26.7	Very low	27.7	Very low	107 Å²	107	93.4 Å²	93.4	75%	0.748	53%	0.532	S	S	*	.	S	Bend	trans	36.8	78.1	159.5	63	0	0	0	0	116.1
10	D	25.6	Very low	27.5	Very low	109 Å²	109	97.5 Å²	97.5	58%	0.583	54%	0.544	S	S	*	.			trans	171.2	85.1	142.6	-90.9	-28.3	0	0	0	108.3	K8 A12 T13 A14	K8-D10 PolarHBondContact O-N 3.14Å; D10-A12 PolarHBondContact O-N 3.27Å; D10-A12 VanDerWaalsContact O-N 3.14Å; D10-T13 PolarHBondContact O-N 3.1Å; D10-T13 VanDerWaalsContact O-N 3.12Å; D10-A14 PolarHBondContact O-N 3.47Å; D10-A14 VanDerWaalsContact O-N 3.11Å
11	V	28.9	Very low	27.6	Very low	135 Å²	135	98 Å²	98	82%	0.818	55%	0.545	S	S	*	.	H	α-helix	trans	-54.3	-29.6	-179.5	-88.1	0	0	0	0	113.1
12	A	26.8	Very low	27.5	Very low	76 Å²	76	97.6 Å²	97.6	63%	0.628	54%	0.543	S	S	*	.	H	α-helix	trans	-76.2	-39.4	177.9	0	0	0	0	0	113	D10	D10-A12 PolarHBondContact O-N 3.27Å; D10-A12 VanDerWaalsContact O-N 3.14Å
13	T	25.3	Very low	27.7	Very low	68 Å²	68	100.8 Å²	100.8	42%	0.417	56%	0.558	S	S	.	*	H	α-helix	trans	-77.3	-30.1	-177.4	-51.1	0	0	0	0	111.8	D10 R17	D10-T13 PolarHBondContact O-N 3.1Å; D10-T13 VanDerWaalsContact O-N 3.12Å; T13-R17 WeakPolarHBondContact O-CB 3.17Å; T13-R17 PolarHBondContact O-N 3.02Å; T13-R17 VanDerWaalsContact O-N 3.15Å
14	A	28.5	Very low	27.3	Very low	21 Å²	21	103.7 Å²	103.7	17%	0.174	57%	0.573	C	S	.	*	H	α-helix	trans	-64.1	-39.8	174.8	0	0	0	0	0	112.3	I7 D10 R17 T18	I7-A14 HydrophobicContact CD1-CB 3.85Å; I7-A14 HydrophobicContact CG2-CB 4.09Å; D10-A14 PolarHBondContact O-N 3.47Å; D10-A14 VanDerWaalsContact O-N 3.11Å; A14-R17 PolarHBondContact O-N 2.93Å; A14-T18 WeakPolarHBondContact O-CB 3.44Å; A14-T18 PolarHBondContact O-N 2.93Å; A14-T18 PolarHBondContact O-OG1 2.82Å
15	F	29.4	Very low	27.7	Very low	73 Å²	73	103.3 Å²	103.3	32%	0.32	57%	0.567	S	S	.	*	H	α-helix	trans	-64.3	-48.1	-177.9	-167.8	-102.7	0	0	0	111.8	R17 T18 I19	F15-R17 PolarHBondContact O-N 3.43Å; F15-T18 PolarHBondContact O-N 3.45Å; F15-I19 HydrophobicContact CE1-CD1 4.35Å; F15-I19 PolarHBondContact O-N 3.38Å
16	V	27	Very low	28	Very low	87 Å²	87	103.1 Å²	103.1	53%	0.527	57%	0.566	S	S	.	*	H	α-helix	trans	-69.9	-31.4	178.8	-179.5	0	0	0	0	112.1
17	R	22.4	Very low	28.3	Very low	180 Å²	180	105.6 Å²	105.6	68%	0.679	56%	0.563	S	S	*	*	H	α-helix	trans	-74.5	-27.4	173.4	-82.7	-173.1	176.8	165.1	0.9	113.7	T13 A14 F15 K20	T13-R17 WeakPolarHBondContact O-CB 3.17Å; T13-R17 PolarHBondContact O-N 3.02Å; T13-R17 VanDerWaalsContact O-N 3.15Å; A14-R17 PolarHBondContact O-N 2.93Å; F15-R17 PolarHBondContact O-N 3.43Å; R17-K20 PolarHBondContact O-N 3.42Å
18	T	31.8	Very low	28.7	Very low	70 Å²	70	105.3 Å²	105.3	43%	0.429	56%	0.562	S	S	.	*	H	α-helix	trans	-68.6	-35	179.1	-57.7	0	0	0	0	111.7	A14 F15 K20 L21 T22	A14-T18 WeakPolarHBondContact O-CB 3.44Å; A14-T18 PolarHBondContact O-N 2.93Å; A14-T18 PolarHBondContact O-OG1 2.82Å; F15-T18 PolarHBondContact O-N 3.45Å; T18-K20 VanDerWaalsContact C-N 3.26Å; T18-K20 PolarHBondContact O-N 3.18Å; T18-L21 PolarHBondContact O-N 2.62Å; T18-T22 PolarHBondContact O-N 3.23Å
19	I	28.9	Very low	29.1	Very low	76 Å²	76	101 Å²	101	39%	0.39	56%	0.555	S	S	.	*	H	α-helix	trans	-63.9	-29.1	177.7	-63.9	169.3	0	0	0	112.3	F15 T22	F15-I19 HydrophobicContact CE1-CD1 4.35Å; F15-I19 PolarHBondContact O-N 3.38Å; I19-T22 PolarHBondContact O-OG1 2.76Å
20	K	23.1	Very low	29.5	Very low	175 Å²	175	103.4 Å²	103.4	76%	0.761	57%	0.565	S	S	*	*	H	α-helix	trans	-74.7	-26.8	174.3	-93.5	-173.2	175.6	-179	0	113.5	R17 T18	R17-K20 PolarHBondContact O-N 3.42Å; T18-K20 VanDerWaalsContact C-N 3.26Å; T18-K20 PolarHBondContact O-N 3.18Å
21	L	28.4	Very low	30.4	Very low	108 Å²	108	100.1 Å²	100.1	57%	0.565	56%	0.557	S	S	*	*	H	α-helix	trans	-82.6	-27	-179.9	-69.6	171.4	0	0	0	112.1	T18 N23 E24 V25	T18-L21 PolarHBondContact O-N 2.62Å; L21-N23 PolarHBondContact O-N 3.04Å; L21-E24 PolarHBondContact O-N 3.02Å; L21-V25 VanDerWaalsContact O-CB 3.32Å; L21-V25 WeakPolarHBondContact O-CB 3.46Å; L21-V25 WeakPolarHBondContact O-CG2 3.47Å; L21-V25 PolarHBondContact O-N 3.49Å
22	T	33.3	Very low	32.1	Very low	62 Å²	62	95.2 Å²	95.2	38%	0.38	53%	0.534	S	S	.	.	H	α-helix	trans	-65.4	-36.1	175.5	39.2	0	0	0	0	112.7	T18 I19 E24 V25 A26	T18-T22 PolarHBondContact O-N 3.23Å; I19-T22 PolarHBondContact O-OG1 2.76Å; T22-E24 PolarHBondContact O-N 3.23Å; T22-V25 PolarHBondContact O-N 3.07Å; T22-V25 VanDerWaalsContact O-N 3.12Å; T22-A26 PolarHBondContact O-N 3.19Å
23	N	30.9	Very low	34	Very low	127 Å²	127	95.9 Å²	95.9	68%	0.679	53%	0.526	S	S	*	.	H	α-helix	trans	-70.6	-25.5	178.2	-104.5	19.4	0	0	0	114.5	L21	L21-N23 PolarHBondContact O-N 3.04Å
24	E	26.7	Very low	36	Very low	168 Å²	168	95.3 Å²	95.3	79%	0.785	52%	0.517	S	S	*	.	H	α-helix	trans	-86.1	-13.1	171.6	-73.4	-167	161.3	0	0	112.6	L21 T22	L21-E24 PolarHBondContact O-N 3.02Å; T22-E24 PolarHBondContact O-N 3.23Å
25	V	37.7	Very low	38.1	Very low	69 Å²	69	98.2 Å²	98.2	42%	0.418	53%	0.532	S	S	.	.	H	α-helix	trans	-100.2	-9.2	-174.8	175.1	0	0	0	0	113.1	L21 T22 H27 I28	L21-V25 VanDerWaalsContact O-CB 3.32Å; L21-V25 WeakPolarHBondContact O-CB 3.46Å; L21-V25 WeakPolarHBondContact O-CG2 3.47Å; L21-V25 PolarHBondContact O-N 3.49Å; T22-V25 PolarHBondContact O-N 3.07Å; T22-V25 VanDerWaalsContact O-N 3.12Å; V25-H27 PolarHBondContact O-N 3.22Å; V25-I28 HydrophobicContact CG1-CD1 3.88Å; V25-I28 HydrophobicContact CG1-CG1 4.23Å; V25-I28 PolarHBondContact O-N 3.41Å
26	A	32.6	Very low	40.5	Very low	51 Å²	51	98 Å²	98	42%	0.421	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-4.2	175	0	0	0	0	0	114.6	T22	T22-A26 PolarHBondContact O-N 3.19Å
27	H	29.4	Very low	43	Very low	174 Å²	174	96.5 Å²	96.5	81%	0.806	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	16.8	170.4	-88.3	-131.3	0	0	0	114.5	V25 S29	V25-H27 PolarHBondContact O-N 3.22Å; H27-S29 PolarHBondContact O-N 3.44Å
28	I	35.1	Very low	45.6	Very low	87 Å²	87	92.2 Å²	92.2	45%	0.446	51%	0.509	S	S	.	.			trans	-78.2	81.5	162.4	-64.3	-176.6	0	0	0	108.5	V25 V30 I33	V25-I28 HydrophobicContact CG1-CD1 3.88Å; V25-I28 HydrophobicContact CG1-CG1 4.23Å; V25-I28 PolarHBondContact O-N 3.41Å; I28-V30 PolarHBondContact O-N 3.42Å; I28-I33 HydrophobicContact CG2-CB 4.39Å
29	S	31.7	Very low	47.8	Very low	98 Å²	98	92.4 Å²	92.4	69%	0.685	51%	0.511	S	S	*	.			trans	-30.7	117.1	158.4	-48.4	0	0	0	0	110.9	H27 G31	H27-S29 PolarHBondContact O-N 3.44Å; S29-G31 PolarHBondContact O-N 3.48Å
30	V	36.8	Very low	50.4	Low	157 Å²	157	93.8 Å²	93.8	95%	0.952	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	5	98.3	154.5	-161.1	0	0	0	0	113.8	I28	I28-V30 PolarHBondContact O-N 3.42Å
31	G	43.7	Very low	53	Low	41 Å²	41	85.5 Å²	85.5	42%	0.423	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	125.2	-26.1	171.7	0	0	0	0	0	116.3	S29 T35	S29-G31 PolarHBondContact O-N 3.48Å; G31-T35 WeakPolarHBondContact O-CB 3.44Å; G31-T35 PolarHBondContact O-N 2.68Å; G31-T35 PolarHBondContact O-OG1 3.25Å
32	G	64.3	Low	55.5	Low	32 Å²	32	81.6 Å²	81.6	33%	0.33	46%	0.461	S	S	.	.	H	α-helix	trans	-70.6	-61.2	-175.6	0	0	0	0	0	113.6	Y34 T35 V36	G32-Y34 VanDerWaalsContact C-N 3.26Å; G32-Y34 PolarHBondContact O-N 3.06Å; G32-T35 WeakPolarHBondContact O-CB 3.22Å; G32-T35 PolarHBondContact O-N 3.29Å; G32-T35 VanDerWaalsContact O-N 3.08Å; G32-V36 WeakPolarHBondContact O-CG2 3.43Å; G32-V36 PolarHBondContact O-N 3.37Å
33	I	67.9	Low	57.9	Low	90 Å²	90	82.9 Å²	82.9	46%	0.462	47%	0.465	S	S	.	.	H	α-helix	trans	-62.1	-36.1	-174.3	-169.4	58.3	0	0	0	112.3	I28 T35 V36 L37	I28-I33 HydrophobicContact CG2-CB 4.39Å; I33-T35 PolarHBondContact O-N 2.79Å; I33-V36 PolarHBondContact O-N 3.37Å; I33-L37 HydrophobicContact CD1-CG 4.23Å; I33-L37 HydrophobicContact CG1-CD1 4.02Å; I33-L37 HydrophobicContact CG1-CG 4.21Å; I33-L37 WeakPolarHBondContact O-CB 2.88Å; I33-L37 VanDerWaalsContact O-CG 3.28Å; I33-L37 WeakPolarHBondContact O-CG 3.38Å; I33-L37 PolarHBondContact O-N 3.12Å
34	Y	65.8	Low	60.3	Low	56 Å²	56	78 Å²	78	22%	0.22	44%	0.44	C	S	.	.	H	α-helix	trans	-59	-47.2	174.4	-174.6	-94.5	0	0	0	112.2	G32 L37 R38 M62 E66 W96	G32-Y34 VanDerWaalsContact C-N 3.26Å; G32-Y34 PolarHBondContact O-N 3.06Å; Y34-L37 PolarHBondContact O-N 2.93Å; Y34-R38 VanDerWaalsContact CE1-NH2 3.27Å; Y34-R38 VanDerWaalsContact O-CB 3.27Å; Y34-R38 WeakPolarHBondContact O-CB 3.29Å; Y34-R38 PolarHBondContact O-N 3.26Å; Y34-R38 PolarHBondContact OH-NH2 3.4Å; Y34-M62 HydrophobicContact CD2-CE 3.62Å; Y34-M62 HydrophobicContact CE2-CE 3.22Å; Y34-E66 VanDerWaalsContact CE2-OE2 3.23Å; Y34-E66 WeakPolarHBondContact CE2-OE2 3.24Å; Y34-E66 PolarHBondContact OH-OE1 3Å; Y34-E66 PolarHBondContact OH-OE2 3.5Å; Y34-W96 HydrophobicContact CD2-CH2 4.37Å; Y34-W96 AromaticContact CD2-CZ2 3.96Å; Y34-W96 HydrophobicContact CD2-CZ2 3.96Å; Y34-W96 HydrophobicContact CE2-CH2 4.19Å; Y34-W96 AromaticContact CE2-CZ2 3.36Å; Y34-W96 HydrophobicContact CE2-CZ2 3.36Å; Y34-W96 AromaticContact CZ-CZ2 3.69Å
35	T	73	Confident	62.8	Low	81 Å²	81	70.9 Å²	70.9	50%	0.497	41%	0.408	S	S	.	.	H	α-helix	trans	-64.8	-41.6	177.5	-55.5	0	0	0	0	111.6	G31 G32 I33 R38 T39	G31-T35 WeakPolarHBondContact O-CB 3.44Å; G31-T35 PolarHBondContact O-N 2.68Å; G31-T35 PolarHBondContact O-OG1 3.25Å; G32-T35 WeakPolarHBondContact O-CB 3.22Å; G32-T35 PolarHBondContact O-N 3.29Å; G32-T35 VanDerWaalsContact O-N 3.08Å; I33-T35 PolarHBondContact O-N 2.79Å; T35-R38 PolarHBondContact O-N 2.86Å; T35-T39 WeakPolarHBondContact O-CG2 3.44Å; T35-T39 PolarHBondContact O-N 3.15Å; T35-T39 PolarHBondContact O-OG1 3.46Å
36	V	79.7	Confident	65	Low	69 Å²	69	75.1 Å²	75.1	42%	0.418	42%	0.424	S	S	.	.	H	α-helix	trans	-62.7	-50.6	176	174.1	0	0	0	0	110.5	G32 I33 R38 T39 K40	G32-V36 WeakPolarHBondContact O-CG2 3.43Å; G32-V36 PolarHBondContact O-N 3.37Å; I33-V36 PolarHBondContact O-N 3.37Å; V36-R38 VanDerWaalsContact C-N 3.33Å; V36-R38 PolarHBondContact O-N 3.24Å; V36-T39 PolarHBondContact O-N 3.41Å; V36-T39 PolarHBondContact O-OG1 3.04Å; V36-K40 HydrophobicContact CG1-CG 4.2Å; V36-K40 WeakPolarHBondContact O-CB 3.42Å; V36-K40 VanDerWaalsContact O-CG 3.24Å; V36-K40 WeakPolarHBondContact O-CG 3.49Å; V36-K40 PolarHBondContact O-N 2.9Å
37	L	78.8	Confident	67.3	Low	55 Å²	55	79.8 Å²	79.8	29%	0.288	44%	0.437	S	S	.	.	H	α-helix	trans	-61.4	-42.5	179.4	-73.2	175.2	0	0	0	111.4	I33 Y34 K40 A41 M54 W96	I33-L37 HydrophobicContact CD1-CG 4.23Å; I33-L37 HydrophobicContact CG1-CD1 4.02Å; I33-L37 HydrophobicContact CG1-CG 4.21Å; I33-L37 WeakPolarHBondContact O-CB 2.88Å; I33-L37 VanDerWaalsContact O-CG 3.28Å; I33-L37 WeakPolarHBondContact O-CG 3.38Å; I33-L37 PolarHBondContact O-N 3.12Å; Y34-L37 PolarHBondContact O-N 2.93Å; L37-K40 PolarHBondContact O-N 3.11Å; L37-A41 WeakPolarHBondContact O-CA 3.46Å; L37-A41 WeakPolarHBondContact O-CB 3.48Å; L37-A41 PolarHBondContact O-N 3.12Å; L37-M54 HydrophobicContact CB-CE 4.17Å; L37-M54 HydrophobicContact CD2-CE 4Å; L37-W96 HydrophobicContact CB-CH2 4.14Å; L37-W96 HydrophobicContact CB-CZ3 4.14Å
38	R	77.8	Confident	69.7	Low	91 Å²	91	74.4 Å²	74.4	34%	0.343	41%	0.413	S	S	.	.	H	α-helix	trans	-60.5	-49.7	177.5	-177.5	-174.8	-75.2	-123.2	3.7	111.9	Y34 T35 V36 A41 A42 W96 I98	Y34-R38 VanDerWaalsContact CE1-NH2 3.27Å; Y34-R38 VanDerWaalsContact O-CB 3.27Å; Y34-R38 WeakPolarHBondContact O-CB 3.29Å; Y34-R38 PolarHBondContact O-N 3.26Å; Y34-R38 PolarHBondContact OH-NH2 3.4Å; T35-R38 PolarHBondContact O-N 2.86Å; V36-R38 VanDerWaalsContact C-N 3.33Å; V36-R38 PolarHBondContact O-N 3.24Å; R38-A41 PolarHBondContact O-N 3.14Å; R38-A42 PolarHBondContact O-N 2.93Å; R38-W96 HydrophobicContact CB-CH2 4.2Å; R38-I98 HydrophobicContact CB-CD1 4.21Å; R38-I98 HydrophobicContact CG-CB 4.13Å; R38-I98 HydrophobicContact CG-CD1 3.94Å; R38-I98 HydrophobicContact CG-CG2 4.14Å
39	T	79.2	Confident	71.9	Confident	74 Å²	74	71.6 Å²	71.6	45%	0.454	41%	0.406	S	S	.	.	H	α-helix	trans	-68.6	-36.1	-179.4	52.4	0	0	0	0	112.6	T35 V36	T35-T39 WeakPolarHBondContact O-CG2 3.44Å; T35-T39 PolarHBondContact O-N 3.15Å; T35-T39 PolarHBondContact O-OG1 3.46Å; V36-T39 PolarHBondContact O-N 3.41Å; V36-T39 PolarHBondContact O-OG1 3.04Å
40	K	82.6	Confident	74.2	Confident	105 Å²	105	71.5 Å²	71.5	46%	0.457	40%	0.395	S	S	.	.	H	α-helix	trans	-76.3	-33.5	176.5	-66.1	-60.6	-177.7	-173.2	0	113.1	V36 L37 I43 S44	V36-K40 HydrophobicContact CG1-CG 4.2Å; V36-K40 WeakPolarHBondContact O-CB 3.42Å; V36-K40 VanDerWaalsContact O-CG 3.24Å; V36-K40 WeakPolarHBondContact O-CG 3.49Å; V36-K40 PolarHBondContact O-N 2.9Å; L37-K40 PolarHBondContact O-N 3.11Å; K40-I43 PolarHBondContact O-N 3.27Å; K40-S44 VanDerWaalsContact O-CB 3.28Å; K40-S44 WeakPolarHBondContact O-CB 3.32Å; K40-S44 PolarHBondContact O-N 3.37Å; K40-S44 PolarHBondContact O-OG 2.87Å
41	A	77.6	Confident	76.2	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-65.5	-41.9	178.4	0	0	0	0	0	111.4	L37 R38 I43 S44 T45 Y52 M54 I98 P102	L37-A41 WeakPolarHBondContact O-CA 3.46Å; L37-A41 WeakPolarHBondContact O-CB 3.48Å; L37-A41 PolarHBondContact O-N 3.12Å; R38-A41 PolarHBondContact O-N 3.14Å; A41-I43 PolarHBondContact O-N 3.18Å; A41-S44 PolarHBondContact O-N 3.45Å; A41-T45 PolarHBondContact O-N 3.37Å; A41-T45 PolarHBondContact O-OG1 3.5Å; A41-T45 VanDerWaalsContact O-OG1 3.06Å; A41-Y52 HydrophobicContact CB-CE1 4.21Å; A41-M54 HydrophobicContact CB-CE 4.25Å; A41-M54 HydrophobicContact CB-SD 3.7Å; A41-I98 HydrophobicContact CB-CD1 3.82Å; A41-P102 HydrophobicContact CB-CG 4.14Å
42	A	81.2	Confident	78	Confident	26 Å²	26	69.8 Å²	69.8	22%	0.215	37%	0.365	C	S	.	.	H	α-helix	trans	-54.7	-52.5	175.8	0	0	0	0	0	111.7	R38 S44 T45 E46 D99	R38-A42 PolarHBondContact O-N 2.93Å; A42-S44 PolarHBondContact O-N 3.48Å; A42-T45 PolarHBondContact O-N 3.45Å; A42-E46 PolarHBondContact O-N 2.93Å; A42-E46 VanDerWaalsContact O-N 3.11Å; A42-D99 WeakPolarHBondContact CA-O 3.47Å; A42-D99 HydrophobicContact CB-CB 4.11Å; A42-D99 WeakPolarHBondContact CB-O 3.49Å
43	I	83.6	Confident	78.9	Confident	90 Å²	90	68.7 Å²	68.7	46%	0.462	35%	0.352	S	S	.	.	H	α-helix	trans	-64.8	-41.9	178.8	-58.8	167.2	0	0	0	111	K40 A41 T45 E46 E47	K40-I43 PolarHBondContact O-N 3.27Å; A41-I43 PolarHBondContact O-N 3.18Å; I43-T45 PolarHBondContact O-N 3.21Å; I43-E46 PolarHBondContact O-N 3.12Å; I43-E47 WeakPolarHBondContact O-CG 3.45Å; I43-E47 PolarHBondContact O-N 2.94Å; I43-E47 VanDerWaalsContact O-N 3.1Å
44	S	81.9	Confident	79.8	Confident	23 Å²	23	65.6 Å²	65.6	16%	0.161	34%	0.336	C	S	.	.	H	α-helix	trans	-68.3	-36.2	-177.3	-57.3	0	0	0	0	112.3	K40 A41 A42 L48 Y52	K40-S44 VanDerWaalsContact O-CB 3.28Å; K40-S44 WeakPolarHBondContact O-CB 3.32Å; K40-S44 PolarHBondContact O-N 3.37Å; K40-S44 PolarHBondContact O-OG 2.87Å; A41-S44 PolarHBondContact O-N 3.45Å; A42-S44 PolarHBondContact O-N 3.48Å; S44-L48 VanDerWaalsContact O-CB 3.3Å; S44-L48 WeakPolarHBondContact O-CB 3.3Å; S44-L48 PolarHBondContact O-N 3.01Å; S44-Y52 VanDerWaalsContact CB-CE2 3.44Å
45	T	78.5	Confident	80.9	Confident	19 Å²	19	64.7 Å²	64.7	12%	0.117	34%	0.335	C	S	.	.	H	α-helix	trans	-71.9	-33.4	174.7	-51.1	0	0	0	0	111.7	A41 A42 I43 E47 G49 Y52 G100 P102	A41-T45 PolarHBondContact O-N 3.37Å; A41-T45 PolarHBondContact O-OG1 3.5Å; A41-T45 VanDerWaalsContact O-OG1 3.06Å; A42-T45 PolarHBondContact O-N 3.45Å; I43-T45 PolarHBondContact O-N 3.21Å; T45-E47 VanDerWaalsContact C-N 3.34Å; T45-G49 WeakPolarHBondContact O-CA 3.37Å; T45-G49 PolarHBondContact O-N 3.03Å; T45-Y52 WeakPolarHBondContact OG1-CD1 3.12Å; T45-G100 WeakPolarHBondContact CB-O 3.45Å; T45-G100 WeakPolarHBondContact CG2-O 3.31Å; T45-G100 PolarHBondContact OG1-O 2.78Å; T45-P102 WeakPolarHBondContact OG1-CB 3.25Å
46	E	83.2	Confident	81.5	Confident	159 Å²	159	61.3 Å²	61.3	74%	0.743	32%	0.316	S	S	*	.	H	α-helix	trans	-61.1	-43.8	173.2	-174.9	171.3	-156.5	0	0	111.6	A42 I43	A42-E46 PolarHBondContact O-N 2.93Å; A42-E46 VanDerWaalsContact O-N 3.11Å; I43-E46 PolarHBondContact O-N 3.12Å
47	E	82.2	Confident	81.9	Confident	149 Å²	149	61.8 Å²	61.8	70%	0.696	32%	0.321	S	S	*	.	H	α-helix	trans	-77.2	-36.5	-177.4	-68	-67.5	144.2	0	0	114	I43 T45	I43-E47 WeakPolarHBondContact O-CG 3.45Å; I43-E47 PolarHBondContact O-N 2.94Å; I43-E47 VanDerWaalsContact O-N 3.1Å; T45-E47 VanDerWaalsContact C-N 3.34Å
48	L	80.1	Confident	82.2	Confident	60 Å²	60	60.9 Å²	60.9	31%	0.314	31%	0.314	S	S	.	.	H	α-helix	trans	-114.6	-10.8	-169.4	-59.6	164.4	0	0	0	113.6	V2 S44 E50 Q51 Y52	V2-L48 HydrophobicContact CB-CD1 3.87Å; V2-L48 HydrophobicContact CG1-CD1 4.44Å; V2-L48 HydrophobicContact CG2-CD1 3.25Å; S44-L48 VanDerWaalsContact O-CB 3.3Å; S44-L48 WeakPolarHBondContact O-CB 3.3Å; S44-L48 PolarHBondContact O-N 3.01Å; L48-E50 PolarHBondContact O-N 3.31Å; L48-Q51 WeakPolarHBondContact O-CB 3.41Å; L48-Q51 PolarHBondContact O-N 3.05Å; L48-Q51 VanDerWaalsContact O-N 3.1Å; L48-Y52 HydrophobicContact CD1-CD2 4.05Å
49	G	80.1	Confident	82.5	Confident	29 Å²	29	60.8 Å²	60.8	30%	0.299	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	47.7	-125.6	-178.4	0	0	0	0	0	112.7	T45 Q51 Y52	T45-G49 WeakPolarHBondContact O-CA 3.37Å; T45-G49 PolarHBondContact O-N 3.03Å; G49-Q51 PolarHBondContact O-N 3.2Å; G49-Q51 VanDerWaalsContact O-N 3.13Å; G49-Y52 WeakPolarHBondContact O-CB 3.44Å; G49-Y52 PolarHBondContact O-N 3.24Å
50	E	80.3	Confident	82.7	Confident	96 Å²	96	62 Å²	62	45%	0.449	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-69.9	-9.4	-173.7	-66.8	-65.1	121.3	0	0	114.5	L48 R95 K103	L48-E50 PolarHBondContact O-N 3.31Å; E50-R95 VanDerWaalsContact CD-NH2 3.28Å; E50-R95 IonicContact OE1-CZ 3.98Å; E50-R95 IonicContact OE1-NH1 2.63Å; E50-R95 PolarHBondContact OE1-NH1 2.89Å; E50-R95 VanDerWaalsContact OE1-NH1 3.16Å; E50-R95 IonicContact OE1-NH2 2.88Å; E50-R95 PolarHBondContact OE1-NH2 3.42Å; E50-R95 IonicContact OE2-CZ 3.16Å; E50-R95 IonicContact OE2-NH2 2.99Å; E50-R95 PolarHBondContact OE2-NH2 3.32Å; E50-K103 PolarHBondContact O-NZ 3.32Å; E50-K103 WeakPolarHBondContact OE2-CE 3.36Å; E50-K103 IonicContact OE2-NZ 3.33Å; E50-K103 PolarHBondContact OE2-NZ 2.87Å
51	Q	79.5	Confident	82.7	Confident	156 Å²	156	61.2 Å²	61.2	73%	0.729	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-85.1	-12.5	174.2	-54.3	-175.8	-74.5	0	0	112.4	V1 L48 G49	V1-Q51 PolarHBondContact N-O 3.23Å; L48-Q51 WeakPolarHBondContact O-CB 3.41Å; L48-Q51 PolarHBondContact O-N 3.05Å; L48-Q51 VanDerWaalsContact O-N 3.1Å; G49-Q51 PolarHBondContact O-N 3.2Å; G49-Q51 VanDerWaalsContact O-N 3.13Å
52	Y	81	Confident	82.9	Confident	6 Å²	6	64.9 Å²	64.9	2%	0.024	35%	0.346	C	S	.	.			trans	-81.7	131.4	172.7	-170.3	-115.1	0	0	0	110.7	V2 A41 S44 T45 L48 G49 M54 P102	V2-Y52 HydrophobicContact CB-CD2 3.78Å; V2-Y52 HydrophobicContact CB-CE2 3.77Å; V2-Y52 HydrophobicContact CG1-CE2 4.21Å; V2-Y52 WeakPolarHBondContact O-CE2 3.46Å; A41-Y52 HydrophobicContact CB-CE1 4.21Å; S44-Y52 VanDerWaalsContact CB-CE2 3.44Å; T45-Y52 WeakPolarHBondContact OG1-CD1 3.12Å; L48-Y52 HydrophobicContact CD1-CD2 4.05Å; G49-Y52 WeakPolarHBondContact O-CB 3.44Å; G49-Y52 PolarHBondContact O-N 3.24Å; Y52-M54 HydrophobicContact CD1-CG 4.41Å; Y52-M54 HydrophobicContact CE1-CG 3.5Å; Y52-M54 HydrophobicContact CE1-SD 3.97Å; Y52-M54 WeakPolarHBondContact OH-CG 3.06Å; Y52-P102 HydrophobicContact CD1-CB 3.79Å; Y52-P102 HydrophobicContact CE1-CB 3.77Å
53	C	82.7	Confident	82.9	Confident	8 Å²	8	63.8 Å²	63.8	5%	0.054	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	129.1	174.5	-177.5	0	0	0	0	107.6	K103	C53-K103 CarbonylContact C-O 3.59Å; C53-K103 WeakPolarHBondContact CA-O 3.49Å; C53-K103 HydrophobicContact CB-CB 4.1Å
54	M	87.2	Confident	83	Confident	25 Å²	25	66.1 Å²	66.1	12%	0.123	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	148.6	176.1	-50.1	-179.7	66.9	0	0	109.6	L37 A41 Y52 W96 P102 K103 V104 V105	L37-M54 HydrophobicContact CB-CE 4.17Å; L37-M54 HydrophobicContact CD2-CE 4Å; A41-M54 HydrophobicContact CB-CE 4.25Å; A41-M54 HydrophobicContact CB-SD 3.7Å; Y52-M54 HydrophobicContact CD1-CG 4.41Å; Y52-M54 HydrophobicContact CE1-CG 3.5Å; Y52-M54 HydrophobicContact CE1-SD 3.97Å; Y52-M54 WeakPolarHBondContact OH-CG 3.06Å; M54-W96 HydrophobicContact CE-CE3 4.15Å; M54-W96 HydrophobicContact CE-CZ3 3.84Å; M54-W96 HydrophobicContact SD-CE3 3.78Å; M54-W96 HydrophobicContact SD-CZ3 4.04Å; M54-P102 HydrophobicContact CG-CB 4.38Å; M54-P102 HydrophobicContact SD-CB 4.1Å; M54-P102 HydrophobicContact SD-CG 3.88Å; M54-K103 PolarHBondContact N-O 3.15Å; M54-V104 HydrophobicContact CB-CG1 4.07Å; M54-V104 CarbonylContact O-C 3.52Å; M54-V104 VanDerWaalsContact O-CA 3.31Å; M54-V104 WeakPolarHBondContact O-CA 3.15Å; M54-V105 PolarHBondContact O-N 3.12Å
55	I	88.1	Confident	83.2	Confident	38 Å²	38	71.7 Å²	71.7	20%	0.195	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135	179.5	-60.3	173.1	0	0	0	108	V1 V105 F107 F144 V148 F151	V1-I55 HydrophobicContact CG1-CD1 3.84Å; I55-V105 VanDerWaalsContact CA-O 3.29Å; I55-V105 WeakPolarHBondContact CA-O 3.33Å; I55-V105 HydrophobicContact CG1-CB 4.35Å; I55-F107 HydrophobicContact CG2-CD2 3.83Å; I55-F107 HydrophobicContact CG2-CE2 3.44Å; I55-F107 VanDerWaalsContact CG2-CE2 3.44Å; I55-F144 HydrophobicContact CG2-CE2 4.29Å; I55-F144 HydrophobicContact CG2-CZ 4.18Å; I55-V148 HydrophobicContact CG2-CG2 3.83Å; I55-F151 HydrophobicContact CD1-CD1 3.88Å; I55-F151 HydrophobicContact CD1-CE1 3.7Å
56	G	87.4	Confident	83.6	Confident	10 Å²	10	73.1 Å²	73.1	10%	0.103	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	174.4	-177.7	0	0	0	0	0	114.2	V105 L106 F107 F144	G56-V105 PolarHBondContact N-O 2.86Å; G56-L106 CarbonylContact O-C 3.58Å; G56-L106 VanDerWaalsContact O-CA 3.28Å; G56-L106 WeakPolarHBondContact O-CA 3.41Å; G56-F107 PolarHBondContact O-N 3.44Å; G56-F144 VanDerWaalsContact C-CE2 3.43Å
57	P	86.8	Confident	83.9	Confident	79 Å²	79	66.4 Å²	66.4	51%	0.513	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	142	172.2	29.5	-34.1	0	0	0	110.8	F107 I109	P57-F107 CarbonylContact C-O 3.2Å; P57-F107 WeakPolarHBondContact CA-O 3.46Å; P57-I109 HydrophobicContact CB-CD1 3.86Å; P57-I109 HydrophobicContact CB-CG1 4.43Å
58	Y	86.3	Confident	84.5	Confident	36 Å²	36	63.2 Å²	63.2	14%	0.141	33%	0.331	C	S	.	.			trans	-77.6	124.3	172.7	173.5	-97.9	0	0	0	110.2	E60 V63 K90 I92 L106 F107 D108	Y58-E60 HydrophobicContact CE1-CB 3.86Å; Y58-V63 HydrophobicContact CD2-CB 4.41Å; Y58-V63 HydrophobicContact CD2-CG2 3.67Å; Y58-V63 HydrophobicContact CE2-CB 3.92Å; Y58-V63 HydrophobicContact CE2-CG1 3.9Å; Y58-V63 HydrophobicContact CE2-CG2 3.69Å; Y58-K90 VanDerWaalsContact CE1-NZ 3.3Å; Y58-I92 HydrophobicContact CD2-CD1 3.5Å; Y58-I92 HydrophobicContact CE2-CD1 3.13Å; Y58-I92 HydrophobicContact CE2-CG1 4.47Å; Y58-I92 HydrophobicContact CG-CD1 4.39Å; Y58-L106 HydrophobicContact CD2-CB 4.35Å; Y58-F107 WeakPolarHBondContact CB-O 3.17Å; Y58-F107 PolarHBondContact N-O 3.29Å; Y58-D108 HydrophobicContact CD1-CB 4.01Å; Y58-D108 HydrophobicContact CG-CB 4.36Å
59	N	83.6	Confident	85.2	Confident	89 Å²	89	65.9 Å²	65.9	48%	0.476	34%	0.344	S	S	.	.			trans	-122.6	114.8	168.2	-177.5	-53.5	0	0	0	109	S61 M62 V63	N59-S61 VanDerWaalsContact C-N 3.29Å; N59-S61 PolarHBondContact O-N 2.67Å; N59-S61 PolarHBondContact OD1-N 2.91Å; N59-M62 HydrophobicContact CB-CB 4.08Å; N59-M62 PolarHBondContact O-N 3.41Å; N59-M62 PolarHBondContact OD1-N 3.01Å; N59-V63 WeakPolarHBondContact O-CB 3.31Å; N59-V63 WeakPolarHBondContact O-CG2 3.47Å; N59-V63 PolarHBondContact O-N 3.37Å
60	E	84.1	Confident	85.8	Confident	98 Å²	98	67.2 Å²	67.2	46%	0.458	34%	0.344	S	S	.	.	H	α-helix	trans	-57.8	-39.3	-173.8	-176.5	175.3	178.4	0	0	113.5	Y58 K64	Y58-E60 HydrophobicContact CE1-CB 3.86Å; E60-K64 HydrophobicContact CG-CD 4.39Å; E60-K64 WeakPolarHBondContact O-CG 3.43Å; E60-K64 PolarHBondContact O-N 3.37Å; E60-K64 WeakPolarHBondContact OE1-CE 3.28Å; E60-K64 IonicContact OE1-NZ 2.83Å; E60-K64 PolarHBondContact OE1-NZ 3.18Å
61	S	82.4	Confident	86.4	Confident	89 Å²	89	67.4 Å²	67.4	62%	0.622	34%	0.344	S	S	*	.	H	α-helix	trans	-69.4	-39.6	-177.7	-60.6	0	0	0	0	111.5	N59	N59-S61 VanDerWaalsContact C-N 3.29Å; N59-S61 PolarHBondContact O-N 2.67Å; N59-S61 PolarHBondContact OD1-N 2.91Å
62	M	80.2	Confident	86.8	Confident	77 Å²	77	60 Å²	60	38%	0.379	31%	0.31	S	S	.	.	H	α-helix	trans	-75.8	-41.9	-179	-170.1	175.7	-169.6	0	0	112	Y34 N59 K64 L65 E66	Y34-M62 HydrophobicContact CD2-CE 3.62Å; Y34-M62 HydrophobicContact CE2-CE 3.22Å; N59-M62 HydrophobicContact CB-CB 4.08Å; N59-M62 PolarHBondContact O-N 3.41Å; N59-M62 PolarHBondContact OD1-N 3.01Å; M62-K64 VanDerWaalsContact C-N 3.33Å; M62-K64 PolarHBondContact O-N 2.91Å; M62-L65 PolarHBondContact O-N 3.41Å; M62-L65 VanDerWaalsContact O-N 3.15Å; M62-E66 VanDerWaalsContact CE-OE2 3.24Å; M62-E66 WeakPolarHBondContact CE-OE2 3.22Å; M62-E66 HydrophobicContact CG-CG 4.38Å; M62-E66 WeakPolarHBondContact O-CB 3.31Å; M62-E66 PolarHBondContact O-N 2.95Å
63	V	81.5	Confident	87	Confident	4 Å²	4	65.3 Å²	65.3	2%	0.024	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-43.2	-178.9	167.9	0	0	0	0	111.3	Y58 N59 L65 V67 M69 L106	Y58-V63 HydrophobicContact CD2-CB 4.41Å; Y58-V63 HydrophobicContact CD2-CG2 3.67Å; Y58-V63 HydrophobicContact CE2-CB 3.92Å; Y58-V63 HydrophobicContact CE2-CG1 3.9Å; Y58-V63 HydrophobicContact CE2-CG2 3.69Å; N59-V63 WeakPolarHBondContact O-CB 3.31Å; N59-V63 WeakPolarHBondContact O-CG2 3.47Å; N59-V63 PolarHBondContact O-N 3.37Å; V63-L65 PolarHBondContact O-N 2.95Å; V63-V67 HydrophobicContact CG1-CB 4.12Å; V63-V67 PolarHBondContact O-N 2.89Å; V63-V67 VanDerWaalsContact O-O 3.07Å; V63-M69 HydrophobicContact CG1-CG 4.18Å; V63-M69 HydrophobicContact CG1-SD 4.19Å; V63-L106 HydrophobicContact CG2-CD1 3.49Å; V63-L106 VanDerWaalsContact CG2-CD1 3.49Å
64	K	86.9	Confident	87	Confident	139 Å²	139	68.3 Å²	68.3	60%	0.604	35%	0.353	S	S	*	.	H	α-helix	trans	-61.5	-26.8	179.5	-74.1	176.3	-174.6	170.9	0	113.7	E60 M62	E60-K64 HydrophobicContact CG-CD 4.39Å; E60-K64 WeakPolarHBondContact O-CG 3.43Å; E60-K64 PolarHBondContact O-N 3.37Å; E60-K64 WeakPolarHBondContact OE1-CE 3.28Å; E60-K64 IonicContact OE1-NZ 2.83Å; E60-K64 PolarHBondContact OE1-NZ 3.18Å; M62-K64 VanDerWaalsContact C-N 3.33Å; M62-K64 PolarHBondContact O-N 2.91Å
65	L	86	Confident	86.8	Confident	140 Å²	140	71 Å²	71	73%	0.733	38%	0.375	S	S	*	.	H	α-helix	trans	-96.3	-38.3	-176.5	-68	173.2	0	0	0	112.3	M62 V63	M62-L65 PolarHBondContact O-N 3.41Å; M62-L65 VanDerWaalsContact O-N 3.15Å; V63-L65 PolarHBondContact O-N 2.95Å
66	E	86.9	Confident	86.6	Confident	49 Å²	49	69.9 Å²	69.9	23%	0.229	37%	0.37	C	S	.	.	H	α-helix	trans	-113.6	-12.9	-166.3	-57	-169.2	-179.9	0	0	113.7	Y34 M62 W96 L97	Y34-E66 VanDerWaalsContact CE2-OE2 3.23Å; Y34-E66 WeakPolarHBondContact CE2-OE2 3.24Å; Y34-E66 PolarHBondContact OH-OE1 3Å; Y34-E66 PolarHBondContact OH-OE2 3.5Å; M62-E66 VanDerWaalsContact CE-OE2 3.24Å; M62-E66 WeakPolarHBondContact CE-OE2 3.22Å; M62-E66 HydrophobicContact CG-CG 4.38Å; M62-E66 WeakPolarHBondContact O-CB 3.31Å; M62-E66 PolarHBondContact O-N 2.95Å; E66-W96 VanDerWaalsContact O-CD1 3.26Å; E66-W96 PolarHBondContact OE2-NE1 3.27Å; E66-L97 WeakPolarHBondContact O-CB 3.31Å; E66-L97 VanDerWaalsContact O-CG 3.25Å; E66-L97 WeakPolarHBondContact O-CG 3.45Å; E66-L97 PolarHBondContact O-N 3.44Å
67	V	89.4	Confident	86.6	Confident	18 Å²	18	70.9 Å²	70.9	11%	0.109	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.4	-174	178	0	0	0	0	110.1	V63 M69 R95 V104 L106	V63-V67 HydrophobicContact CG1-CB 4.12Å; V63-V67 PolarHBondContact O-N 2.89Å; V63-V67 VanDerWaalsContact O-O 3.07Å; V67-M69 PolarHBondContact O-N 3.01Å; V67-R95 WeakPolarHBondContact CA-O 3.43Å; V67-V104 HydrophobicContact CG1-CG2 3.75Å; V67-V104 HydrophobicContact CG2-CG2 4.38Å; V67-L106 HydrophobicContact CG2-CD1 4.23Å
68	E	93.6	Very high	86.8	Confident	81 Å²	81	71.2 Å²	71.2	38%	0.379	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	111.4	166	-172.3	179.3	179.5	0	0	108.8	L70 G94 R95 L97 Y101	E68-L70 HydrophobicContact CG-CD1 4.43Å; E68-L70 HydrophobicContact CG-CD2 4.08Å; E68-L70 HydrophobicContact CG-CG 4.08Å; E68-L70 PolarHBondContact O-N 3.33Å; E68-G94 CarbonylContact O-C 3.42Å; E68-G94 WeakPolarHBondContact O-CA 3.33Å; E68-R95 PolarHBondContact N-O 3.39Å; E68-R95 PolarHBondContact O-N 3.37Å; E68-L97 HydrophobicContact CB-CD2 4.1Å; E68-Y101 PolarHBondContact OE2-OH 3.11Å
69	M	94.4	Very high	87	Confident	116 Å²	116	72.4 Å²	72.4	57%	0.571	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	125.6	177.1	-68	-174.7	-75.6	0	0	109.9	V63 V67 I92	V63-M69 HydrophobicContact CG1-CG 4.18Å; V63-M69 HydrophobicContact CG1-SD 4.19Å; V67-M69 PolarHBondContact O-N 3.01Å; M69-I92 HydrophobicContact CG-CG2 3.95Å; M69-I92 HydrophobicContact SD-CG2 4.18Å
70	L	94.2	Very high	87.3	Confident	57 Å²	57	68.2 Å²	68.2	30%	0.298	36%	0.355	S	S	.	.			trans	-136.6	164.2	-176.6	-63.6	171.1	0	0	0	109.3	E68 F93 R95	E68-L70 HydrophobicContact CG-CD1 4.43Å; E68-L70 HydrophobicContact CG-CD2 4.08Å; E68-L70 HydrophobicContact CG-CG 4.08Å; E68-L70 PolarHBondContact O-N 3.33Å; L70-F93 HydrophobicContact CB-CD1 4.26Å; L70-F93 HydrophobicContact CB-CE1 4.42Å; L70-F93 PolarHBondContact N-O 3.01Å; L70-F93 CarbonylContact O-C 3.44Å; L70-F93 WeakPolarHBondContact O-CD1 3.41Å; L70-R95 HydrophobicContact CD1-CB 4.27Å; L70-R95 HydrophobicContact CD1-CG 3.9Å
71	E	92.8	Very high	87.8	Confident	100 Å²	100	63.6 Å²	63.6	47%	0.467	33%	0.333	S	S	.	.			trans	-94.8	142.1	165.6	-75.8	-65.4	131.6	0	0	109.5	R85	E71-R85 IonicContact OE1-CZ 2.68Å; E71-R85 IonicContact OE1-NH1 3.26Å; E71-R85 PolarHBondContact OE1-NH1 3.02Å; E71-R85 IonicContact OE1-NH2 3.59Å; E71-R85 PolarHBondContact OE1-NH2 2.97Å; E71-R85 IonicContact OE2-NH1 2.96Å; E71-R85 PolarHBondContact OE2-NH1 3.21Å
72	P	87.9	Confident	88.3	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.006	33%	0.326	C	S	.	.			trans	-66.3	140.1	-175	28.9	-37.1	0	0	0	111.6	M77 R78 L81 F93	P72-M77 HydrophobicContact CB-CB 3.71Å; P72-M77 HydrophobicContact CB-CG 3.31Å; P72-M77 HydrophobicContact CG-CB 4.27Å; P72-M77 HydrophobicContact CG-CG 3.9Å; P72-R78 VanDerWaalsContact CG-CA 3.47Å; P72-R78 HydrophobicContact CG-CB 3.83Å; P72-R78 HydrophobicContact CG-CG 4.35Å; P72-R78 PolarHBondContact O-NH2 3.2Å; P72-L81 HydrophobicContact CG-CD1 3.86Å; P72-F93 VanDerWaalsContact CA-CE1 3.47Å; P72-F93 HydrophobicContact CB-CD1 3.95Å; P72-F93 HydrophobicContact CB-CD2 4.16Å; P72-F93 HydrophobicContact CB-CE1 4.01Å; P72-F93 HydrophobicContact CB-CE2 4.2Å; P72-F93 HydrophobicContact CB-CG 4.03Å; P72-F93 HydrophobicContact CB-CZ 4.13Å
73	E	84	Confident	89	Confident	118 Å²	118	62.3 Å²	62.3	55%	0.551	32%	0.321	S	S	*	.	S	Bend	trans	-71	-46.4	-177.4	-62.5	167.4	-116.4	0	0	111.2	R78 R95	E73-R78 PolarHBondContact O-NH1 3.12Å; E73-R78 PolarHBondContact O-NH2 3.1Å; E73-R95 IonicContact OE1-NH2 3.51Å; E73-R95 PolarHBondContact OE1-NH2 2.81Å
74	T	82.8	Confident	89.6	Confident	70 Å²	70	62.1 Å²	62.1	43%	0.429	32%	0.319	S	S	.	.	S	Bend	trans	-71.1	133.1	-177.7	-45.3	0	0	0	0	112	S76 M77 R78	T74-S76 VanDerWaalsContact C-N 3.26Å; T74-S76 PolarHBondContact O-N 3.36Å; T74-M77 PolarHBondContact O-N 2.94Å; T74-R78 PolarHBondContact O-N 2.9Å
75	S	84	Confident	89.9	Confident	83 Å²	83	59.5 Å²	59.5	58%	0.58	31%	0.306	S	S	*	.	H	α-helix	trans	-54.2	-40.9	176	51.1	0	0	0	0	112.9	M77 R78 S79	S75-M77 PolarHBondContact O-N 2.93Å; S75-R78 PolarHBondContact O-N 3.24Å; S75-S79 WeakPolarHBondContact O-CB 3.2Å; S75-S79 PolarHBondContact O-N 3.34Å
76	S	83.4	Confident	90.3	Very high	14 Å²	14	57 Å²	57	10%	0.098	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-41.1	-179.8	-50	0	0	0	0	113.6	T74 T80 C158	T74-S76 VanDerWaalsContact C-N 3.26Å; T74-S76 PolarHBondContact O-N 3.36Å; S76-T80 WeakPolarHBondContact O-CB 3.48Å; S76-T80 PolarHBondContact O-N 3.33Å; S76-T80 PolarHBondContact O-OG1 3.1Å; S76-C158 WeakPolarHBondContact CA-SG 3.36Å; S76-C158 WeakPolarHBondContact CB-SG 3.37Å; S76-C158 PolarHBondContact OG-SG 2.52Å
77	M	87.5	Confident	90.6	Very high	31 Å²	31	59.5 Å²	59.5	15%	0.153	32%	0.317	C	S	.	.	H	α-helix	trans	-67	-45.5	175.3	-175.2	66.6	66.7	0	0	110.2	P72 T74 S75 S79 T80 L81 F93 V105 F151	P72-M77 HydrophobicContact CB-CB 3.71Å; P72-M77 HydrophobicContact CB-CG 3.31Å; P72-M77 HydrophobicContact CG-CB 4.27Å; P72-M77 HydrophobicContact CG-CG 3.9Å; T74-M77 PolarHBondContact O-N 2.94Å; S75-M77 PolarHBondContact O-N 2.93Å; M77-S79 PolarHBondContact O-N 2.95Å; M77-T80 WeakPolarHBondContact O-CB 3.43Å; M77-T80 PolarHBondContact O-N 3.01Å; M77-L81 HydrophobicContact CG-CD1 4.32Å; M77-L81 HydrophobicContact CG-CG 4.46Å; M77-L81 VanDerWaalsContact O-CG 3.31Å; M77-L81 WeakPolarHBondContact O-CG 3.44Å; M77-L81 PolarHBondContact O-N 2.99Å; M77-L81 HydrophobicContact SD-CG 4.42Å; M77-F93 HydrophobicContact CG-CD2 4.39Å; M77-F93 HydrophobicContact CG-CE2 4.38Å; M77-V105 HydrophobicContact SD-CG2 4.23Å; M77-F151 HydrophobicContact CE-CZ 3.87Å; M77-F151 HydrophobicContact SD-CE2 3.65Å; M77-F151 HydrophobicContact SD-CZ 3.56Å; M77-F151 VanDerWaalsContact SD-CZ 3.56Å
78	R	91.4	Very high	90.7	Very high	86 Å²	86	60.9 Å²	60.9	33%	0.325	33%	0.334	S	S	.	.	H	α-helix	trans	-57	-52.3	177.4	-169.5	-179.9	-66.2	97.8	-3.5	112.1	P72 E73 T74 S75 T80 L81 E82	P72-R78 VanDerWaalsContact CG-CA 3.47Å; P72-R78 HydrophobicContact CG-CB 3.83Å; P72-R78 HydrophobicContact CG-CG 4.35Å; P72-R78 PolarHBondContact O-NH2 3.2Å; E73-R78 PolarHBondContact O-NH1 3.12Å; E73-R78 PolarHBondContact O-NH2 3.1Å; T74-R78 PolarHBondContact O-N 2.9Å; S75-R78 PolarHBondContact O-N 3.24Å; R78-T80 VanDerWaalsContact C-N 3.29Å; R78-T80 PolarHBondContact O-N 2.95Å; R78-L81 PolarHBondContact O-N 2.99Å; R78-E82 HydrophobicContact CG-CG 4.45Å; R78-E82 WeakPolarHBondContact CG-OE1 3.33Å; R78-E82 WeakPolarHBondContact O-CB 3.47Å; R78-E82 WeakPolarHBondContact O-CG 3.38Å; R78-E82 PolarHBondContact O-N 2.73Å
79	S	90.6	Very high	90.7	Very high	61 Å²	61	57.1 Å²	57.1	43%	0.427	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-39.4	179.4	179.3	0	0	0	0	112	S75 M77 S83	S75-S79 WeakPolarHBondContact O-CB 3.2Å; S75-S79 PolarHBondContact O-N 3.34Å; M77-S79 PolarHBondContact O-N 2.95Å; S79-S83 VanDerWaalsContact O-CB 3.25Å; S79-S83 WeakPolarHBondContact O-CB 3.28Å; S79-S83 PolarHBondContact O-N 3.48Å
80	T	89.8	Confident	90.7	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-50	175.3	-61.6	0	0	0	0	111.5	S76 M77 R78 E82 S83 M84 F151 E154 V155	S76-T80 WeakPolarHBondContact O-CB 3.48Å; S76-T80 PolarHBondContact O-N 3.33Å; S76-T80 PolarHBondContact O-OG1 3.1Å; M77-T80 WeakPolarHBondContact O-CB 3.43Å; M77-T80 PolarHBondContact O-N 3.01Å; R78-T80 VanDerWaalsContact C-N 3.29Å; R78-T80 PolarHBondContact O-N 2.95Å; T80-E82 PolarHBondContact O-N 3.31Å; T80-S83 WeakPolarHBondContact O-CB 3.49Å; T80-S83 PolarHBondContact O-N 3.45Å; T80-M84 HydrophobicContact CG2-SD 4.29Å; T80-M84 WeakPolarHBondContact O-CG 3.28Å; T80-M84 PolarHBondContact O-N 2.98Å; T80-F151 HydrophobicContact CG2-CD2 3.67Å; T80-F151 HydrophobicContact CG2-CE2 3.88Å; T80-E154 HydrophobicContact CG2-CB 3.4Å; T80-E154 HydrophobicContact CG2-CG 4.35Å; T80-V155 HydrophobicContact CG2-CG2 3.82Å; T80-V155 PolarHBondContact OG1-N 3.19Å
81	L	93.4	Very high	90.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-39.7	-178.9	-63.5	-174.8	0	0	0	111.7	P72 M77 R78 M84 R85 V91 F93 V105 F151	P72-L81 HydrophobicContact CG-CD1 3.86Å; M77-L81 HydrophobicContact CG-CD1 4.32Å; M77-L81 HydrophobicContact CG-CG 4.46Å; M77-L81 VanDerWaalsContact O-CG 3.31Å; M77-L81 WeakPolarHBondContact O-CG 3.44Å; M77-L81 PolarHBondContact O-N 2.99Å; M77-L81 HydrophobicContact SD-CG 4.42Å; R78-L81 PolarHBondContact O-N 2.99Å; L81-M84 PolarHBondContact O-N 3.45Å; L81-R85 VanDerWaalsContact O-CB 3.3Å; L81-R85 WeakPolarHBondContact O-CB 3.47Å; L81-R85 WeakPolarHBondContact O-CD 3.42Å; L81-R85 WeakPolarHBondContact O-CG 3.29Å; L81-R85 PolarHBondContact O-N 3.02Å; L81-V91 HydrophobicContact CB-CG1 4.36Å; L81-V91 HydrophobicContact CD2-CB 4.37Å; L81-V91 HydrophobicContact CD2-CG1 3.87Å; L81-V91 HydrophobicContact CD2-CG2 3.56Å; L81-F93 HydrophobicContact CD1-CB 3.55Å; L81-F93 HydrophobicContact CD1-CD2 4.38Å; L81-F93 HydrophobicContact CD1-CG 4.23Å; L81-V105 HydrophobicContact CD2-CG1 4.29Å; L81-F151 HydrophobicContact CD2-CD2 4.29Å; L81-F151 HydrophobicContact CD2-CE2 3.92Å
82	E	94.5	Very high	90.6	Very high	103 Å²	103	49.1 Å²	49.1	48%	0.481	28%	0.276	S	S	.	.	H	α-helix	trans	-62.3	-44.1	174.1	-74.8	172.3	179.8	0	0	111.8	R78 T80 M84 R85 A86	R78-E82 HydrophobicContact CG-CG 4.45Å; R78-E82 WeakPolarHBondContact CG-OE1 3.33Å; R78-E82 WeakPolarHBondContact O-CB 3.47Å; R78-E82 WeakPolarHBondContact O-CG 3.38Å; R78-E82 PolarHBondContact O-N 2.73Å; T80-E82 PolarHBondContact O-N 3.31Å; E82-M84 PolarHBondContact O-N 2.93Å; E82-R85 PolarHBondContact O-N 3.23Å; E82-A86 WeakPolarHBondContact O-CB 3.24Å; E82-A86 PolarHBondContact O-N 3.08Å
83	S	93.4	Very high	90.9	Very high	37 Å²	37	49.4 Å²	49.4	26%	0.259	28%	0.277	S	S	.	.	H	α-helix	trans	-57.3	-49.5	175.2	-179.3	0	0	0	0	111.2	S79 T80 A86 Q87 E154	S79-S83 VanDerWaalsContact O-CB 3.25Å; S79-S83 WeakPolarHBondContact O-CB 3.28Å; S79-S83 PolarHBondContact O-N 3.48Å; T80-S83 WeakPolarHBondContact O-CB 3.49Å; T80-S83 PolarHBondContact O-N 3.45Å; S83-A86 PolarHBondContact O-N 3.27Å; S83-Q87 VanDerWaalsContact O-CG 3.31Å; S83-Q87 WeakPolarHBondContact O-CG 3.47Å; S83-Q87 PolarHBondContact O-N 2.76Å; S83-E154 WeakPolarHBondContact CB-OE2 3.35Å; S83-E154 PolarHBondContact OG-OE2 3.39Å
84	M	93.8	Very high	91.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-42.9	177.7	-66.7	-176.1	82.2	0	0	112.4	T80 L81 E82 A86 Q87 G88 V89 V91 F107 L147 W150 F151 E154	T80-M84 HydrophobicContact CG2-SD 4.29Å; T80-M84 WeakPolarHBondContact O-CG 3.28Å; T80-M84 PolarHBondContact O-N 2.98Å; L81-M84 PolarHBondContact O-N 3.45Å; E82-M84 PolarHBondContact O-N 2.93Å; M84-A86 VanDerWaalsContact C-N 3.34Å; M84-A86 PolarHBondContact O-N 3.49Å; M84-Q87 PolarHBondContact O-N 3.13Å; M84-Q87 VanDerWaalsContact O-N 3.12Å; M84-G88 PolarHBondContact O-N 3.35Å; M84-V89 HydrophobicContact CB-CB 4.32Å; M84-V89 HydrophobicContact CE-CG1 4.25Å; M84-V89 WeakPolarHBondContact O-CB 3.43Å; M84-V89 PolarHBondContact O-N 3.31Å; M84-V89 VanDerWaalsContact O-N 3.11Å; M84-V91 HydrophobicContact CB-CG1 4.12Å; M84-F107 HydrophobicContact CE-CD1 4.32Å; M84-F107 HydrophobicContact CE-CE1 3.56Å; M84-F107 HydrophobicContact CE-CZ 4.23Å; M84-F107 HydrophobicContact SD-CE1 4Å; M84-F107 HydrophobicContact SD-CZ 4.5Å; M84-L147 HydrophobicContact CE-CD2 4.44Å; M84-W150 HydrophobicContact CE-CB 4.45Å; M84-W150 HydrophobicContact CE-CD2 4.31Å; M84-W150 HydrophobicContact CE-CE3 4.5Å; M84-W150 HydrophobicContact CE-CG 4.3Å; M84-F151 HydrophobicContact CE-CB 4.05Å; M84-F151 HydrophobicContact SD-CB 3.81Å; M84-F151 HydrophobicContact SD-CD2 3.86Å; M84-F151 HydrophobicContact SD-CG 4.35Å; M84-E154 HydrophobicContact CG-CG 4.47Å
85	R	94.9	Very high	91.8	Very high	84 Å²	84	41.4 Å²	41.4	32%	0.317	23%	0.234	S	C	.	.	H	α-helix	trans	-61.4	-41.1	176.6	-73.8	166.5	-178.3	176.6	-2.5	111.6	E71 L81 E82 Q87 G88 V89 V91	E71-R85 IonicContact OE1-CZ 2.68Å; E71-R85 IonicContact OE1-NH1 3.26Å; E71-R85 PolarHBondContact OE1-NH1 3.02Å; E71-R85 IonicContact OE1-NH2 3.59Å; E71-R85 PolarHBondContact OE1-NH2 2.97Å; E71-R85 IonicContact OE2-NH1 2.96Å; E71-R85 PolarHBondContact OE2-NH1 3.21Å; L81-R85 VanDerWaalsContact O-CB 3.3Å; L81-R85 WeakPolarHBondContact O-CB 3.47Å; L81-R85 WeakPolarHBondContact O-CD 3.42Å; L81-R85 WeakPolarHBondContact O-CG 3.29Å; L81-R85 PolarHBondContact O-N 3.02Å; E82-R85 PolarHBondContact O-N 3.23Å; R85-Q87 PolarHBondContact O-N 3.38Å; R85-G88 PolarHBondContact O-N 3.25Å; R85-V89 WeakPolarHBondContact CA-O 3.44Å; R85-V91 HydrophobicContact CG-CG1 3.84Å; R85-V91 PolarHBondContact NE-O 3.38Å; R85-V91 PolarHBondContact NH2-O 3.18Å
86	A	94.3	Very high	92	Very high	86 Å²	86	38.3 Å²	38.3	71%	0.711	21%	0.21	S	C	*	.	H	α-helix	trans	-62.5	-25.7	176.6	0	0	0	0	0	112.7	E82 S83 M84 G88	E82-A86 WeakPolarHBondContact O-CB 3.24Å; E82-A86 PolarHBondContact O-N 3.08Å; S83-A86 PolarHBondContact O-N 3.27Å; M84-A86 VanDerWaalsContact C-N 3.34Å; M84-A86 PolarHBondContact O-N 3.49Å; A86-G88 VanDerWaalsContact C-N 3.29Å
87	Q	92	Very high	92.3	Very high	103 Å²	103	42.1 Å²	42.1	48%	0.481	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	10	177.1	-61.7	-72.1	-24.5	0	0	113.4	S83 M84 R85 W150	S83-Q87 VanDerWaalsContact O-CG 3.31Å; S83-Q87 WeakPolarHBondContact O-CG 3.47Å; S83-Q87 PolarHBondContact O-N 2.76Å; M84-Q87 PolarHBondContact O-N 3.13Å; M84-Q87 VanDerWaalsContact O-N 3.12Å; R85-Q87 PolarHBondContact O-N 3.38Å; Q87-W150 HydrophobicContact CB-CH2 3.55Å; Q87-W150 HydrophobicContact CB-CZ2 3.83Å; Q87-W150 HydrophobicContact CG-CH2 4.09Å; Q87-W150 HydrophobicContact CG-CZ2 3.87Å
88	G	92.3	Very high	92.3	Very high	46 Å²	46	41.4 Å²	41.4	47%	0.474	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	9.6	176.5	0	0	0	0	0	114.8	M84 R85 A86	M84-G88 PolarHBondContact O-N 3.35Å; R85-G88 PolarHBondContact O-N 3.25Å; A86-G88 VanDerWaalsContact C-N 3.29Å
89	V	93	Very high	92.1	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	24%	0.241	C	C	.	.			trans	-86.1	118.6	175.2	-179.9	0	0	0	0	109.3	M84 R85 V91 F107 L147 W150	M84-V89 HydrophobicContact CB-CB 4.32Å; M84-V89 HydrophobicContact CE-CG1 4.25Å; M84-V89 WeakPolarHBondContact O-CB 3.43Å; M84-V89 PolarHBondContact O-N 3.31Å; M84-V89 VanDerWaalsContact O-N 3.11Å; R85-V89 WeakPolarHBondContact CA-O 3.44Å; V89-V91 PolarHBondContact O-N 3.07Å; V89-V91 VanDerWaalsContact O-N 3.15Å; V89-F107 HydrophobicContact CG1-CD1 4.4Å; V89-L147 HydrophobicContact CB-CD2 4.45Å; V89-L147 HydrophobicContact CG1-CD2 3.6Å; V89-L147 HydrophobicContact CG2-CD2 3.94Å; V89-W150 HydrophobicContact CG2-CE3 4.27Å; V89-W150 HydrophobicContact CG2-CH2 4.02Å; V89-W150 HydrophobicContact CG2-CZ3 3.57Å
90	K	94	Very high	92	Very high	78 Å²	78	42.1 Å²	42.1	34%	0.339	24%	0.239	S	C	.	.			trans	-78.3	104.8	172.3	176.4	175.7	163.5	-150.6	0	109.6	Y58 D108 T111	Y58-K90 VanDerWaalsContact CE1-NZ 3.3Å; K90-D108 HydrophobicContact CB-CB 3.86Å; K90-D108 HydrophobicContact CD-CB 4.04Å; K90-D108 WeakPolarHBondContact CD-OD2 3.43Å; K90-D108 WeakPolarHBondContact CE-OD2 3.33Å; K90-D108 HydrophobicContact CG-CB 3.94Å; K90-D108 IonicContact NZ-OD2 2.91Å; K90-D108 PolarHBondContact NZ-OD2 3.46Å; K90-D108 WeakPolarHBondContact O-CB 3.39Å; K90-D108 PolarHBondContact O-N 3.25Å; K90-T111 HydrophobicContact CB-CG2 3.79Å; K90-T111 HydrophobicContact CD-CG2 4.07Å; K90-T111 PolarHBondContact N-OG1 2.93Å
91	V	94.1	Very high	92.1	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.4	175.6	59.7	0	0	0	0	110.6	L81 M84 R85 V89 V105 L106 F107	L81-V91 HydrophobicContact CB-CG1 4.36Å; L81-V91 HydrophobicContact CD2-CB 4.37Å; L81-V91 HydrophobicContact CD2-CG1 3.87Å; L81-V91 HydrophobicContact CD2-CG2 3.56Å; M84-V91 HydrophobicContact CB-CG1 4.12Å; R85-V91 HydrophobicContact CG-CG1 3.84Å; R85-V91 PolarHBondContact NE-O 3.38Å; R85-V91 PolarHBondContact NH2-O 3.18Å; V89-V91 PolarHBondContact O-N 3.07Å; V89-V91 VanDerWaalsContact O-N 3.15Å; V91-V105 HydrophobicContact CG2-CG1 3.61Å; V91-L106 WeakPolarHBondContact CA-O 3.24Å; V91-F107 HydrophobicContact CB-CD1 3.85Å; V91-F107 HydrophobicContact CB-CE1 3.87Å; V91-F107 HydrophobicContact CG2-CD1 3.63Å; V91-F107 HydrophobicContact CG2-CE1 3.36Å; V91-F107 HydrophobicContact CG2-CZ 4.15Å
92	I	91.8	Very high	91.7	Very high	25 Å²	25	46.3 Å²	46.3	13%	0.128	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.8	-178.7	-70.2	160.3	0	0	0	109.2	Y58 M69 V105 L106	Y58-I92 HydrophobicContact CD2-CD1 3.5Å; Y58-I92 HydrophobicContact CE2-CD1 3.13Å; Y58-I92 HydrophobicContact CE2-CG1 4.47Å; Y58-I92 HydrophobicContact CG-CD1 4.39Å; M69-I92 HydrophobicContact CG-CG2 3.95Å; M69-I92 HydrophobicContact SD-CG2 4.18Å; I92-V105 WeakPolarHBondContact O-CA 3.23Å; I92-L106 PolarHBondContact N-O 3.24Å; I92-L106 PolarHBondContact O-N 3.03Å
93	F	93.8	Very high	91.3	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	150.1	170.9	-178.9	-94.3	0	0	0	109.4	L70 P72 M77 L81 K103 V104 V105	L70-F93 HydrophobicContact CB-CD1 4.26Å; L70-F93 HydrophobicContact CB-CE1 4.42Å; L70-F93 PolarHBondContact N-O 3.01Å; L70-F93 CarbonylContact O-C 3.44Å; L70-F93 WeakPolarHBondContact O-CD1 3.41Å; P72-F93 VanDerWaalsContact CA-CE1 3.47Å; P72-F93 HydrophobicContact CB-CD1 3.95Å; P72-F93 HydrophobicContact CB-CD2 4.16Å; P72-F93 HydrophobicContact CB-CE1 4.01Å; P72-F93 HydrophobicContact CB-CE2 4.2Å; P72-F93 HydrophobicContact CB-CG 4.03Å; P72-F93 HydrophobicContact CB-CZ 4.13Å; M77-F93 HydrophobicContact CG-CD2 4.39Å; M77-F93 HydrophobicContact CG-CE2 4.38Å; L81-F93 HydrophobicContact CD1-CB 3.55Å; L81-F93 HydrophobicContact CD1-CD2 4.38Å; L81-F93 HydrophobicContact CD1-CG 4.23Å; F93-K103 HydrophobicContact CE2-CB 4.14Å; F93-K103 HydrophobicContact CE2-CD 4.33Å; F93-K103 HydrophobicContact CE2-CG 4.36Å; F93-K103 HydrophobicContact CZ-CB 4.14Å; F93-K103 HydrophobicContact CZ-CD 3.94Å; F93-K103 HydrophobicContact CZ-CG 3.9Å; F93-V104 WeakPolarHBondContact CA-O 3.42Å; F93-V105 HydrophobicContact CD2-CG2 3.85Å; F93-V105 HydrophobicContact CE2-CG2 4.47Å
94	G	92.6	Very high	91.1	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	-166.5	178.3	0	0	0	0	0	112.3	E68 K103 V104	E68-G94 CarbonylContact O-C 3.42Å; E68-G94 WeakPolarHBondContact O-CA 3.33Å; G94-K103 WeakPolarHBondContact O-CA 3.38Å; G94-V104 PolarHBondContact N-O 3.49Å; G94-V104 PolarHBondContact O-N 3.47Å
95	R	92.1	Very high	90.9	Very high	20 Å²	20	41 Å²	41	8%	0.075	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.2	171	-70.5	-179.6	-179.7	-101.3	6	110.2	E50 V67 E68 L70 E73 Y101 P102	E50-R95 VanDerWaalsContact CD-NH2 3.28Å; E50-R95 IonicContact OE1-CZ 3.98Å; E50-R95 IonicContact OE1-NH1 2.63Å; E50-R95 PolarHBondContact OE1-NH1 2.89Å; E50-R95 VanDerWaalsContact OE1-NH1 3.16Å; E50-R95 IonicContact OE1-NH2 2.88Å; E50-R95 PolarHBondContact OE1-NH2 3.42Å; E50-R95 IonicContact OE2-CZ 3.16Å; E50-R95 IonicContact OE2-NH2 2.99Å; E50-R95 PolarHBondContact OE2-NH2 3.32Å; V67-R95 WeakPolarHBondContact CA-O 3.43Å; E68-R95 PolarHBondContact N-O 3.39Å; E68-R95 PolarHBondContact O-N 3.37Å; L70-R95 HydrophobicContact CD1-CB 4.27Å; L70-R95 HydrophobicContact CD1-CG 3.9Å; E73-R95 IonicContact OE1-NH2 3.51Å; E73-R95 PolarHBondContact OE1-NH2 2.81Å; R95-Y101 HydrophobicContact CB-CD1 4.5Å; R95-Y101 HydrophobicContact CB-CD2 3.75Å; R95-Y101 HydrophobicContact CB-CE1 4.22Å; R95-Y101 HydrophobicContact CB-CE2 3.39Å; R95-Y101 HydrophobicContact CB-CG 4.28Å; R95-Y101 VanDerWaalsContact CD-CD1 3.49Å; R95-Y101 HydrophobicContact CG-CE1 4.23Å; R95-Y101 HydrophobicContact CG-CE2 4.29Å; R95-Y101 PolarHBondContact NH1-O 2.95Å; R95-P102 VanDerWaalsContact CA-O 3.26Å; R95-P102 WeakPolarHBondContact CA-O 3.4Å
96	W	88.9	Confident	90.6	Very high	19 Å²	19	38 Å²	38	7%	0.072	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.8	179.5	-167.6	18.5	0	0	0	109.5	Y34 L37 R38 M54 E66 I98 P102 V104	Y34-W96 HydrophobicContact CD2-CH2 4.37Å; Y34-W96 AromaticContact CD2-CZ2 3.96Å; Y34-W96 HydrophobicContact CD2-CZ2 3.96Å; Y34-W96 HydrophobicContact CE2-CH2 4.19Å; Y34-W96 AromaticContact CE2-CZ2 3.36Å; Y34-W96 HydrophobicContact CE2-CZ2 3.36Å; Y34-W96 AromaticContact CZ-CZ2 3.69Å; L37-W96 HydrophobicContact CB-CH2 4.14Å; L37-W96 HydrophobicContact CB-CZ3 4.14Å; R38-W96 HydrophobicContact CB-CH2 4.2Å; M54-W96 HydrophobicContact CE-CE3 4.15Å; M54-W96 HydrophobicContact CE-CZ3 3.84Å; M54-W96 HydrophobicContact SD-CE3 3.78Å; M54-W96 HydrophobicContact SD-CZ3 4.04Å; E66-W96 VanDerWaalsContact O-CD1 3.26Å; E66-W96 PolarHBondContact OE2-NE1 3.27Å; W96-I98 HydrophobicContact CB-CG1 4.25Å; W96-I98 HydrophobicContact CD2-CD1 3.71Å; W96-I98 HydrophobicContact CD2-CG1 3.79Å; W96-I98 HydrophobicContact CD2-CG2 3.92Å; W96-I98 HydrophobicContact CE3-CD1 3.29Å; W96-I98 HydrophobicContact CE3-CG1 3.87Å; W96-I98 HydrophobicContact CG-CD1 4.41Å; W96-I98 HydrophobicContact CG-CG1 3.98Å; W96-I98 HydrophobicContact CG-CG2 4.14Å; W96-I98 HydrophobicContact CH2-CD1 3.99Å; W96-I98 HydrophobicContact CZ2-CD1 4.33Å; W96-I98 HydrophobicContact CZ2-CG2 3.94Å; W96-I98 HydrophobicContact CZ3-CD1 3.46Å; W96-I98 VanDerWaalsContact CZ3-CD1 3.46Å; W96-I98 HydrophobicContact CZ3-CG1 4.44Å; W96-I98 PolarHBondContact O-N 2.92Å; W96-P102 HydrophobicContact CB-CG 3.99Å; W96-P102 HydrophobicContact CE3-CG 4.37Å; W96-P102 PolarHBondContact N-O 3.03Å; W96-V104 HydrophobicContact CB-CG1 3.75Å
97	L	90.8	Very high	90.4	Very high	94 Å²	94	33.9 Å²	33.9	49%	0.492	18%	0.183	S	C	.	.	S	Bend	trans	-78.4	61.4	-176.7	-60.3	174.2	0	0	0	111.1	E66 E68 Y101	E66-L97 WeakPolarHBondContact O-CB 3.31Å; E66-L97 VanDerWaalsContact O-CG 3.25Å; E66-L97 WeakPolarHBondContact O-CG 3.45Å; E66-L97 PolarHBondContact O-N 3.44Å; E68-L97 HydrophobicContact CB-CD2 4.1Å; L97-Y101 HydrophobicContact CD2-CE2 4.13Å
98	I	85.8	Confident	90.4	Very high	16 Å²	16	30.2 Å²	30.2	8%	0.082	17%	0.167	C	C	.	.	S	Bend	trans	-131.3	172.6	174.3	61.9	158.7	0	0	0	110	R38 A41 W96 G100 Y101 P102	R38-I98 HydrophobicContact CB-CD1 4.21Å; R38-I98 HydrophobicContact CG-CB 4.13Å; R38-I98 HydrophobicContact CG-CD1 3.94Å; R38-I98 HydrophobicContact CG-CG2 4.14Å; A41-I98 HydrophobicContact CB-CD1 3.82Å; W96-I98 HydrophobicContact CB-CG1 4.25Å; W96-I98 HydrophobicContact CD2-CD1 3.71Å; W96-I98 HydrophobicContact CD2-CG1 3.79Å; W96-I98 HydrophobicContact CD2-CG2 3.92Å; W96-I98 HydrophobicContact CE3-CD1 3.29Å; W96-I98 HydrophobicContact CE3-CG1 3.87Å; W96-I98 HydrophobicContact CG-CD1 4.41Å; W96-I98 HydrophobicContact CG-CG1 3.98Å; W96-I98 HydrophobicContact CG-CG2 4.14Å; W96-I98 HydrophobicContact CH2-CD1 3.99Å; W96-I98 HydrophobicContact CZ2-CD1 4.33Å; W96-I98 HydrophobicContact CZ2-CG2 3.94Å; W96-I98 HydrophobicContact CZ3-CD1 3.46Å; W96-I98 VanDerWaalsContact CZ3-CD1 3.46Å; W96-I98 HydrophobicContact CZ3-CG1 4.44Å; W96-I98 PolarHBondContact O-N 2.92Å; I98-G100 PolarHBondContact O-N 2.78Å; I98-Y101 PolarHBondContact O-N 3.37Å; I98-P102 HydrophobicContact CD1-CG 4.26Å; I98-P102 HydrophobicContact CG1-CG 4.23Å
99	D	88.8	Confident	90.1	Very high	123 Å²	123	29.2 Å²	29.2	66%	0.658	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	130.9	172.1	-61.3	-32.7	0	0	0	110.9	A42	A42-D99 WeakPolarHBondContact CA-O 3.47Å; A42-D99 HydrophobicContact CB-CB 4.11Å; A42-D99 WeakPolarHBondContact CB-O 3.49Å
100	G	87.1	Confident	89.9	Confident	38 Å²	38	31.8 Å²	31.8	39%	0.392	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	-10.2	-174.3	0	0	0	0	0	115	T45 I98 P102	T45-G100 WeakPolarHBondContact CB-O 3.45Å; T45-G100 WeakPolarHBondContact CG2-O 3.31Å; T45-G100 PolarHBondContact OG1-O 2.78Å; I98-G100 PolarHBondContact O-N 2.78Å; G100-P102 VanDerWaalsContact C-CD 3.48Å; G100-P102 VanDerWaalsContact C-N 3.33Å; G100-P102 VanDerWaalsContact O-N 3.13Å
101	Y	92	Very high	89.7	Confident	88 Å²	88	30.2 Å²	30.2	35%	0.345	17%	0.174	S	C	.	.			trans	43.4	49.8	172.8	-167.5	-128.7	0	0	0	114.7	E68 R95 L97 I98	E68-Y101 PolarHBondContact OE2-OH 3.11Å; R95-Y101 HydrophobicContact CB-CD1 4.5Å; R95-Y101 HydrophobicContact CB-CD2 3.75Å; R95-Y101 HydrophobicContact CB-CE1 4.22Å; R95-Y101 HydrophobicContact CB-CE2 3.39Å; R95-Y101 HydrophobicContact CB-CG 4.28Å; R95-Y101 VanDerWaalsContact CD-CD1 3.49Å; R95-Y101 HydrophobicContact CG-CE1 4.23Å; R95-Y101 HydrophobicContact CG-CE2 4.29Å; R95-Y101 PolarHBondContact NH1-O 2.95Å; L97-Y101 HydrophobicContact CD2-CE2 4.13Å; I98-Y101 PolarHBondContact O-N 3.37Å
102	P	85.7	Confident	89.4	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.006	17%	0.174	C	C	.	.			trans	-69	148.5	-171.8	31	-37.9	0	0	0	111.7	A41 T45 Y52 M54 R95 W96 I98 G100	A41-P102 HydrophobicContact CB-CG 4.14Å; T45-P102 WeakPolarHBondContact OG1-CB 3.25Å; Y52-P102 HydrophobicContact CD1-CB 3.79Å; Y52-P102 HydrophobicContact CE1-CB 3.77Å; M54-P102 HydrophobicContact CG-CB 4.38Å; M54-P102 HydrophobicContact SD-CB 4.1Å; M54-P102 HydrophobicContact SD-CG 3.88Å; R95-P102 VanDerWaalsContact CA-O 3.26Å; R95-P102 WeakPolarHBondContact CA-O 3.4Å; W96-P102 HydrophobicContact CB-CG 3.99Å; W96-P102 HydrophobicContact CE3-CG 4.37Å; W96-P102 PolarHBondContact N-O 3.03Å; I98-P102 HydrophobicContact CD1-CG 4.26Å; I98-P102 HydrophobicContact CG1-CG 4.23Å; G100-P102 VanDerWaalsContact C-CD 3.48Å; G100-P102 VanDerWaalsContact C-N 3.33Å; G100-P102 VanDerWaalsContact O-N 3.13Å
103	K	87.1	Confident	89.2	Confident	20 Å²	20	31.2 Å²	31.2	9%	0.087	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	142.1	166.5	-65.9	174.3	179.4	167	0	110.5	E50 C53 M54 F93 G94	E50-K103 PolarHBondContact O-NZ 3.32Å; E50-K103 WeakPolarHBondContact OE2-CE 3.36Å; E50-K103 IonicContact OE2-NZ 3.33Å; E50-K103 PolarHBondContact OE2-NZ 2.87Å; C53-K103 CarbonylContact C-O 3.59Å; C53-K103 WeakPolarHBondContact CA-O 3.49Å; C53-K103 HydrophobicContact CB-CB 4.1Å; M54-K103 PolarHBondContact N-O 3.15Å; F93-K103 HydrophobicContact CE2-CB 4.14Å; F93-K103 HydrophobicContact CE2-CD 4.33Å; F93-K103 HydrophobicContact CE2-CG 4.36Å; F93-K103 HydrophobicContact CZ-CB 4.14Å; F93-K103 HydrophobicContact CZ-CD 3.94Å; F93-K103 HydrophobicContact CZ-CG 3.9Å; G94-K103 WeakPolarHBondContact O-CA 3.38Å
104	V	87.6	Confident	89	Confident	8 Å²	8	38.2 Å²	38.2	5%	0.048	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.2	175.2	-57.2	0	0	0	0	111.6	M54 V67 F93 G94 W96 L106	M54-V104 HydrophobicContact CB-CG1 4.07Å; M54-V104 CarbonylContact O-C 3.52Å; M54-V104 VanDerWaalsContact O-CA 3.31Å; M54-V104 WeakPolarHBondContact O-CA 3.15Å; V67-V104 HydrophobicContact CG1-CG2 3.75Å; V67-V104 HydrophobicContact CG2-CG2 4.38Å; F93-V104 WeakPolarHBondContact CA-O 3.42Å; G94-V104 PolarHBondContact N-O 3.49Å; G94-V104 PolarHBondContact O-N 3.47Å; W96-V104 HydrophobicContact CB-CG1 3.75Å; V104-L106 HydrophobicContact CG2-CD1 4.35Å; V104-L106 HydrophobicContact CG2-CG 4.35Å
105	V	89.7	Confident	88.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.7	168.4	172.9	0	0	0	0	107.8	M54 I55 G56 M77 L81 V91 I92 F93 F107 F151	M54-V105 PolarHBondContact O-N 3.12Å; I55-V105 VanDerWaalsContact CA-O 3.29Å; I55-V105 WeakPolarHBondContact CA-O 3.33Å; I55-V105 HydrophobicContact CG1-CB 4.35Å; G56-V105 PolarHBondContact N-O 2.86Å; M77-V105 HydrophobicContact SD-CG2 4.23Å; L81-V105 HydrophobicContact CD2-CG1 4.29Å; V91-V105 HydrophobicContact CG2-CG1 3.61Å; I92-V105 WeakPolarHBondContact O-CA 3.23Å; F93-V105 HydrophobicContact CD2-CG2 3.85Å; F93-V105 HydrophobicContact CE2-CG2 4.47Å; V105-F107 HydrophobicContact CG1-CE1 4.13Å; V105-F107 HydrophobicContact CG1-CE2 3.96Å; V105-F107 HydrophobicContact CG1-CZ 3.62Å; V105-F151 HydrophobicContact CG1-CD2 4.47Å; V105-F151 HydrophobicContact CG1-CE2 4.17Å; V105-F151 HydrophobicContact CG1-CZ 4.43Å; V105-F151 HydrophobicContact CG2-CE2 4.33Å; V105-F151 HydrophobicContact CG2-CZ 4.11Å
106	L	89.7	Confident	88.8	Confident	21 Å²	21	40.7 Å²	40.7	11%	0.11	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.1	-173.8	-59.5	176.8	0	0	0	111.1	G56 Y58 V63 V67 V91 I92 V104	G56-L106 CarbonylContact O-C 3.58Å; G56-L106 VanDerWaalsContact O-CA 3.28Å; G56-L106 WeakPolarHBondContact O-CA 3.41Å; Y58-L106 HydrophobicContact CD2-CB 4.35Å; V63-L106 HydrophobicContact CG2-CD1 3.49Å; V63-L106 VanDerWaalsContact CG2-CD1 3.49Å; V67-L106 HydrophobicContact CG2-CD1 4.23Å; V91-L106 WeakPolarHBondContact CA-O 3.24Å; I92-L106 PolarHBondContact N-O 3.24Å; I92-L106 PolarHBondContact O-N 3.03Å; V104-L106 HydrophobicContact CG2-CD1 4.35Å; V104-L106 HydrophobicContact CG2-CG 4.35Å
107	F	89.6	Confident	88.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.4	-176.6	-67.2	-65.2	0	0	0	112.1	I55 G56 P57 Y58 M84 V89 V91 V105 I109 F144 L147 V148 F151	I55-F107 HydrophobicContact CG2-CD2 3.83Å; I55-F107 HydrophobicContact CG2-CE2 3.44Å; I55-F107 VanDerWaalsContact CG2-CE2 3.44Å; G56-F107 PolarHBondContact O-N 3.44Å; P57-F107 CarbonylContact C-O 3.2Å; P57-F107 WeakPolarHBondContact CA-O 3.46Å; Y58-F107 WeakPolarHBondContact CB-O 3.17Å; Y58-F107 PolarHBondContact N-O 3.29Å; M84-F107 HydrophobicContact CE-CD1 4.32Å; M84-F107 HydrophobicContact CE-CE1 3.56Å; M84-F107 HydrophobicContact CE-CZ 4.23Å; M84-F107 HydrophobicContact SD-CE1 4Å; M84-F107 HydrophobicContact SD-CZ 4.5Å; V89-F107 HydrophobicContact CG1-CD1 4.4Å; V91-F107 HydrophobicContact CB-CD1 3.85Å; V91-F107 HydrophobicContact CB-CE1 3.87Å; V91-F107 HydrophobicContact CG2-CD1 3.63Å; V91-F107 HydrophobicContact CG2-CE1 3.36Å; V91-F107 HydrophobicContact CG2-CZ 4.15Å; V105-F107 HydrophobicContact CG1-CE1 4.13Å; V105-F107 HydrophobicContact CG1-CE2 3.96Å; V105-F107 HydrophobicContact CG1-CZ 3.62Å; F107-I109 PolarHBondContact O-N 3.43Å; F107-F144 HydrophobicContact CD2-CD2 4.45Å; F107-F144 HydrophobicContact CD2-CE2 4.04Å; F107-L147 HydrophobicContact CB-CB 4.49Å; F107-L147 HydrophobicContact CB-CD1 3.93Å; F107-L147 HydrophobicContact CD1-CB 4.27Å; F107-L147 HydrophobicContact CD2-CB 4.42Å; F107-L147 HydrophobicContact CG-CB 4.15Å; F107-L147 HydrophobicContact CG-CD1 4.39Å; F107-V148 HydrophobicContact CD2-CG2 4.35Å; F107-V148 HydrophobicContact CE2-CG2 4.19Å; F107-F151 HydrophobicContact CE1-CB 4.32Å; F107-F151 HydrophobicContact CE2-CB 4.33Å; F107-F151 HydrophobicContact CE2-CG 4.49Å; F107-F151 HydrophobicContact CZ-CB 3.55Å; F107-F151 HydrophobicContact CZ-CD1 4.43Å; F107-F151 AromaticContact CZ-CD2 3.9Å; F107-F151 HydrophobicContact CZ-CD2 3.9Å; F107-F151 AromaticContact CZ-CG 3.71Å; F107-F151 HydrophobicContact CZ-CG 3.71Å
108	D	91.5	Very high	89	Confident	26 Å²	26	45.8 Å²	45.8	14%	0.139	25%	0.253	C	S	.	.			trans	-80.3	99.3	172.7	-168.3	-30	0	0	0	110.3	Y58 K90 G110 T111	Y58-D108 HydrophobicContact CD1-CB 4.01Å; Y58-D108 HydrophobicContact CG-CB 4.36Å; K90-D108 HydrophobicContact CB-CB 3.86Å; K90-D108 HydrophobicContact CD-CB 4.04Å; K90-D108 WeakPolarHBondContact CD-OD2 3.43Å; K90-D108 WeakPolarHBondContact CE-OD2 3.33Å; K90-D108 HydrophobicContact CG-CB 3.94Å; K90-D108 IonicContact NZ-OD2 2.91Å; K90-D108 PolarHBondContact NZ-OD2 3.46Å; K90-D108 WeakPolarHBondContact O-CB 3.39Å; K90-D108 PolarHBondContact O-N 3.25Å; D108-G110 VanDerWaalsContact C-N 3.26Å; D108-G110 PolarHBondContact O-N 3.3Å; D108-G110 PolarHBondContact OD1-N 3.48Å; D108-T111 HydrophobicContact CB-CG2 4.08Å; D108-T111 PolarHBondContact O-N 3.5Å; D108-T111 PolarHBondContact O-OG1 3.47Å; D108-T111 PolarHBondContact OD1-N 3.44Å
109	I	87.2	Confident	89.2	Confident	26 Å²	26	46 Å²	46	13%	0.133	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-41.8	178.2	-64.4	178	0	0	0	110.7	P57 F107 T111 S112 A113 D140 I143 F144	P57-I109 HydrophobicContact CB-CD1 3.86Å; P57-I109 HydrophobicContact CB-CG1 4.43Å; F107-I109 PolarHBondContact O-N 3.43Å; I109-T111 VanDerWaalsContact C-N 3.31Å; I109-T111 PolarHBondContact O-N 2.99Å; I109-S112 PolarHBondContact O-N 3.03Å; I109-A113 PolarHBondContact O-N 3.34Å; I109-D140 HydrophobicContact CD1-CB 4.26Å; I109-D140 HydrophobicContact CG2-CB 4.07Å; I109-I143 HydrophobicContact CB-CG2 4.11Å; I109-I143 HydrophobicContact CG1-CG2 4.37Å; I109-I143 HydrophobicContact CG2-CB 3.93Å; I109-I143 HydrophobicContact CG2-CD1 3.96Å; I109-I143 HydrophobicContact CG2-CG2 3.62Å; I109-F144 HydrophobicContact CD1-CB 3.99Å; I109-F144 HydrophobicContact CG1-CB 4.31Å
110	G	88.6	Confident	89.1	Confident	55 Å²	55	41.5 Å²	41.5	57%	0.567	23%	0.227	S	C	*	.	H	α-helix	trans	-61.1	-39.8	-177.2	0	0	0	0	0	112.4	D108 S112 A113	D108-G110 VanDerWaalsContact C-N 3.26Å; D108-G110 PolarHBondContact O-N 3.3Å; D108-G110 PolarHBondContact OD1-N 3.48Å; G110-S112 PolarHBondContact O-N 3.34Å; G110-A113 WeakPolarHBondContact O-CB 3.38Å; G110-A113 PolarHBondContact O-N 2.98Å
111	T	88.8	Confident	89.3	Confident	46 Å²	46	46 Å²	46	28%	0.282	24%	0.236	S	C	.	.	H	α-helix	trans	-68.2	-19.1	177.1	63.3	0	0	0	0	114.2	K90 D108 I109 W114	K90-T111 HydrophobicContact CB-CG2 3.79Å; K90-T111 HydrophobicContact CD-CG2 4.07Å; K90-T111 PolarHBondContact N-OG1 2.93Å; D108-T111 HydrophobicContact CB-CG2 4.08Å; D108-T111 PolarHBondContact O-N 3.5Å; D108-T111 PolarHBondContact O-OG1 3.47Å; D108-T111 PolarHBondContact OD1-N 3.44Å; I109-T111 VanDerWaalsContact C-N 3.31Å; I109-T111 PolarHBondContact O-N 2.99Å; T111-W114 PolarHBondContact O-NE1 2.84Å; T111-W114 VanDerWaalsContact O-NE1 3.1Å
112	S	87.9	Confident	89.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-104.1	0.1	-177.4	-56.3	0	0	0	0	113.1	I109 G110 W114 R115	I109-S112 PolarHBondContact O-N 3.03Å; G110-S112 PolarHBondContact O-N 3.34Å; S112-W114 PolarHBondContact O-N 3.24Å; S112-W114 VanDerWaalsContact O-N 3.12Å; S112-R115 PolarHBondContact O-N 3.37Å
113	A	88.8	Confident	89.2	Confident	48 Å²	48	47 Å²	47	40%	0.397	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-59.2	-25.2	-179.6	0	0	0	0	0	113.4	I109 G110 R115 L116 I143	I109-A113 PolarHBondContact O-N 3.34Å; G110-A113 WeakPolarHBondContact O-CB 3.38Å; G110-A113 PolarHBondContact O-N 2.98Å; A113-R115 PolarHBondContact O-N 2.77Å; A113-L116 WeakPolarHBondContact O-CB 3.27Å; A113-L116 PolarHBondContact O-N 3.1Å; A113-I143 HydrophobicContact CB-CD1 4.14Å
114	W	89.3	Confident	89.2	Confident	154 Å²	154	52.3 Å²	52.3	58%	0.583	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-64.2	-18.4	175.4	66.6	-91.7	0	0	0	113.9	T111 S112	T111-W114 PolarHBondContact O-NE1 2.84Å; T111-W114 VanDerWaalsContact O-NE1 3.1Å; S112-W114 PolarHBondContact O-N 3.24Å; S112-W114 VanDerWaalsContact O-N 3.12Å
115	R	89.2	Confident	89.3	Confident	50 Å²	50	56.6 Å²	56.6	19%	0.189	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-90.9	-7.5	174.2	-66.1	-168.5	176.7	-147.3	0.9	113.6	S112 A113 D117 N118 W119 W150	S112-R115 PolarHBondContact O-N 3.37Å; A113-R115 PolarHBondContact O-N 2.77Å; R115-D117 VanDerWaalsContact C-N 3.32Å; R115-D117 PolarHBondContact O-N 3Å; R115-N118 PolarHBondContact O-N 3.27Å; R115-N118 VanDerWaalsContact O-N 3.12Å; R115-W119 HydrophobicContact CB-CD2 3.84Å; R115-W119 HydrophobicContact CB-CE3 3.83Å; R115-W119 HydrophobicContact CB-CH2 3.91Å; R115-W119 HydrophobicContact CB-CZ2 3.92Å; R115-W119 HydrophobicContact CB-CZ3 3.84Å; R115-W119 HydrophobicContact CG-CH2 4.44Å; R115-W119 HydrophobicContact CG-CZ2 4.35Å; R115-W119 PolarHBondContact O-N 3.49Å; R115-W150 VanDerWaalsContact NH1-CH2 3.32Å
116	L	90.1	Very high	89.2	Confident	21 Å²	21	61 Å²	61	11%	0.11	32%	0.317	C	S	.	.	H	α-helix	trans	-55.2	-44.2	-170.5	177.1	64.6	0	0	0	112.7	A113 N118 W119 K120 N139 V142 I143	A113-L116 WeakPolarHBondContact O-CB 3.27Å; A113-L116 PolarHBondContact O-N 3.1Å; L116-N118 VanDerWaalsContact C-N 3.33Å; L116-N118 PolarHBondContact O-N 2.85Å; L116-W119 PolarHBondContact O-N 2.67Å; L116-K120 HydrophobicContact CD1-CD 4.32Å; L116-K120 HydrophobicContact CD1-CG 4.03Å; L116-K120 HydrophobicContact CG-CD 4.19Å; L116-K120 HydrophobicContact CG-CG 4.29Å; L116-K120 WeakPolarHBondContact O-CB 3.03Å; L116-K120 WeakPolarHBondContact O-CG 3.48Å; L116-K120 PolarHBondContact O-N 2.88Å; L116-N139 HydrophobicContact CD1-CB 4.15Å; L116-N139 HydrophobicContact CD2-CB 3.79Å; L116-V142 HydrophobicContact CD1-CB 4.41Å; L116-V142 HydrophobicContact CD1-CG1 4.15Å; L116-I143 HydrophobicContact CB-CD1 4.24Å; L116-I143 HydrophobicContact CB-CG1 4.28Å; L116-I143 HydrophobicContact CD1-CD1 4.03Å; L116-I143 HydrophobicContact CD1-CG1 3.83Å; L116-I143 HydrophobicContact CD2-CD1 4.43Å; L116-I143 HydrophobicContact CG-CD1 4.46Å
117	D	91.2	Very high	89.2	Confident	108 Å²	108	62.4 Å²	62.4	58%	0.578	33%	0.328	S	S	*	.	H	α-helix	trans	-63.3	-40.1	-177.9	-68.6	-29.7	0	0	0	112.1	R115 K121	R115-D117 VanDerWaalsContact C-N 3.32Å; R115-D117 PolarHBondContact O-N 3Å; D117-K121 PolarHBondContact O-N 3.49Å; D117-K121 VanDerWaalsContact O-N 3.1Å
118	N	92.6	Very high	89.1	Confident	112 Å²	112	69 Å²	69	60%	0.599	36%	0.358	S	S	*	.	H	α-helix	trans	-66.3	-43	176	-69.7	-25.9	0	0	0	111.1	R115 L116 K121 E122	R115-N118 PolarHBondContact O-N 3.27Å; R115-N118 VanDerWaalsContact O-N 3.12Å; L116-N118 VanDerWaalsContact C-N 3.33Å; L116-N118 PolarHBondContact O-N 2.85Å; N118-K121 WeakPolarHBondContact O-CB 3.5Å; N118-K121 PolarHBondContact O-N 2.89Å; N118-E122 PolarHBondContact O-N 3.06Å
119	W	90.5	Very high	88.8	Confident	20 Å²	20	70.5 Å²	70.5	8%	0.076	37%	0.369	C	S	.	.	H	α-helix	trans	-70.3	-34	178.8	-72.6	-25.4	0	0	0	113.5	R115 L116 K121 E122 L123 V142 I143 F146 L147 W150	R115-W119 HydrophobicContact CB-CD2 3.84Å; R115-W119 HydrophobicContact CB-CE3 3.83Å; R115-W119 HydrophobicContact CB-CH2 3.91Å; R115-W119 HydrophobicContact CB-CZ2 3.92Å; R115-W119 HydrophobicContact CB-CZ3 3.84Å; R115-W119 HydrophobicContact CG-CH2 4.44Å; R115-W119 HydrophobicContact CG-CZ2 4.35Å; R115-W119 PolarHBondContact O-N 3.49Å; L116-W119 PolarHBondContact O-N 2.67Å; W119-K121 VanDerWaalsContact C-N 3.31Å; W119-E122 PolarHBondContact O-N 2.92Å; W119-L123 VanDerWaalsContact O-CB 3.29Å; W119-L123 WeakPolarHBondContact O-CB 3.44Å; W119-L123 PolarHBondContact O-N 2.83Å; W119-V142 HydrophobicContact CB-CG1 4.06Å; W119-I143 HydrophobicContact CE3-CB 4.5Å; W119-I143 HydrophobicContact CE3-CG1 4.19Å; W119-I143 HydrophobicContact CZ3-CB 4.19Å; W119-I143 HydrophobicContact CZ3-CG1 4.16Å; W119-I143 HydrophobicContact CZ3-CG2 4Å; W119-F146 HydrophobicContact CB-CD1 4.41Å; W119-F146 HydrophobicContact CB-CD2 3.58Å; W119-F146 HydrophobicContact CB-CE1 4.46Å; W119-F146 HydrophobicContact CB-CE2 3.65Å; W119-F146 HydrophobicContact CB-CG 3.98Å; W119-F146 HydrophobicContact CB-CZ 4.1Å; W119-F146 AromaticContact CD1-CD1 3.47Å; W119-F146 VanDerWaalsContact CD1-CD1 3.47Å; W119-F146 AromaticContact CD1-CE1 3.79Å; W119-F146 AromaticContact CD1-CG 3.68Å; W119-F146 HydrophobicContact CD2-CB 3.54Å; W119-F146 HydrophobicContact CD2-CD1 4.26Å; W119-F146 HydrophobicContact CD2-CD2 4.11Å; W119-F146 AromaticContact CD2-CG 3.72Å; W119-F146 HydrophobicContact CD2-CG 3.72Å; W119-F146 AromaticContact CE2-CG 3.96Å; W119-F146 HydrophobicContact CE3-CB 3.83Å; W119-F146 HydrophobicContact CE3-CG 4.33Å; W119-F146 HydrophobicContact CG-CB 3.97Å; W119-F146 AromaticContact CG-CD1 3.84Å; W119-F146 HydrophobicContact CG-CD1 3.84Å; W119-F146 AromaticContact CG-CD2 3.71Å; W119-F146 HydrophobicContact CG-CD2 3.71Å; W119-F146 HydrophobicContact CG-CE1 4.24Å; W119-F146 HydrophobicContact CG-CE2 4.12Å; W119-F146 AromaticContact CG-CG 3.55Å; W119-F146 HydrophobicContact CG-CG 3.55Å; W119-F146 HydrophobicContact CG-CZ 4.36Å; W119-F146 HydrophobicContact CH2-CB 4.16Å; W119-F146 HydrophobicContact CZ2-CB 3.89Å; W119-F146 HydrophobicContact CZ3-CB 4.14Å; W119-F146 AromaticContact NE1-CD1 3.7Å; W119-F146 AromaticContact NE1-CG 3.92Å; W119-F146 WeakPolarHBondContact O-CE2 3.4Å; W119-L147 HydrophobicContact CH2-CD2 3.83Å; W119-L147 HydrophobicContact CH2-CG 4Å; W119-L147 HydrophobicContact CZ3-CG 4.43Å; W119-W150 HydrophobicContact CZ2-CE3 4.42Å
120	K	87.7	Confident	88.6	Confident	29 Å²	29	71.7 Å²	71.7	13%	0.126	39%	0.387	C	S	.	.	H	α-helix	trans	-61.9	-41.8	169.9	-79.4	-175.9	175.8	-170.6	0	111.4	L116 L123 W124 N139	L116-K120 HydrophobicContact CD1-CD 4.32Å; L116-K120 HydrophobicContact CD1-CG 4.03Å; L116-K120 HydrophobicContact CG-CD 4.19Å; L116-K120 HydrophobicContact CG-CG 4.29Å; L116-K120 WeakPolarHBondContact O-CB 3.03Å; L116-K120 WeakPolarHBondContact O-CG 3.48Å; L116-K120 PolarHBondContact O-N 2.88Å; K120-L123 PolarHBondContact O-N 3.01Å; K120-W124 WeakPolarHBondContact O-CB 3.31Å; K120-W124 PolarHBondContact O-N 3.28Å; K120-N139 WeakPolarHBondContact CE-OD1 3.3Å; K120-N139 PolarHBondContact NZ-OD1 3.1Å
121	K	91.3	Very high	88.2	Confident	134 Å²	134	70.7 Å²	70.7	58%	0.583	37%	0.369	S	S	*	.	H	α-helix	trans	-63.9	-47.1	175.1	-176	-179.6	176.3	-176.3	0	111.2	D117 N118 W119 L123 W124 D125	D117-K121 PolarHBondContact O-N 3.49Å; D117-K121 VanDerWaalsContact O-N 3.1Å; N118-K121 WeakPolarHBondContact O-CB 3.5Å; N118-K121 PolarHBondContact O-N 2.89Å; W119-K121 VanDerWaalsContact C-N 3.31Å; K121-L123 VanDerWaalsContact C-N 3.3Å; K121-L123 PolarHBondContact O-N 3.15Å; K121-W124 WeakPolarHBondContact O-CB 3.42Å; K121-W124 PolarHBondContact O-N 3.49Å; K121-W124 VanDerWaalsContact O-N 3.14Å; K121-D125 WeakPolarHBondContact O-CB 3.41Å; K121-D125 VanDerWaalsContact O-CG 3.27Å; K121-D125 PolarHBondContact O-N 2.81Å
122	E	89.2	Confident	88.1	Confident	98 Å²	98	72.5 Å²	72.5	46%	0.458	38%	0.381	S	S	.	.	H	α-helix	trans	-60.3	-40.3	177.6	-171.9	175.2	151.6	0	0	112.1	N118 W119 D125 S126 F146	N118-E122 PolarHBondContact O-N 3.06Å; W119-E122 PolarHBondContact O-N 2.92Å; E122-D125 PolarHBondContact O-N 3.04Å; E122-S126 WeakPolarHBondContact O-CB 3.12Å; E122-S126 PolarHBondContact O-N 2.85Å; E122-S126 PolarHBondContact O-OG 2.95Å; E122-F146 HydrophobicContact CB-CE1 4.37Å; E122-F146 HydrophobicContact CB-CZ 4.11Å; E122-F146 HydrophobicContact CG-CE1 4.15Å; E122-F146 HydrophobicContact CG-CZ 4.19Å; E122-F146 WeakPolarHBondContact OE1-CE1 3.25Å
123	L	86.8	Confident	87.6	Confident	11 Å²	11	82.5 Å²	82.5	6%	0.058	42%	0.419	C	S	.	.	H	α-helix	trans	-61.9	-46	173.9	-172.4	71.5	0	0	0	111.3	W119 K120 K121 S126 C127 V129 I131 V142 F146	W119-L123 VanDerWaalsContact O-CB 3.29Å; W119-L123 WeakPolarHBondContact O-CB 3.44Å; W119-L123 PolarHBondContact O-N 2.83Å; K120-L123 PolarHBondContact O-N 3.01Å; K121-L123 VanDerWaalsContact C-N 3.3Å; K121-L123 PolarHBondContact O-N 3.15Å; L123-S126 PolarHBondContact O-N 3.46Å; L123-C127 VanDerWaalsContact CD1-SG 3.55Å; L123-C127 PolarHBondContact O-N 2.85Å; L123-C127 PolarHBondContact O-SG 3.04Å; L123-V129 HydrophobicContact CD2-CB 4.18Å; L123-V129 HydrophobicContact CD2-CG1 4.01Å; L123-V129 HydrophobicContact CG-CB 4.15Å; L123-I131 HydrophobicContact CD2-CD1 3.67Å; L123-I131 HydrophobicContact CD2-CG1 4.38Å; L123-V142 HydrophobicContact CD2-CG2 3.84Å; L123-F146 HydrophobicContact CB-CE2 4.44Å
124	W	86.6	Confident	87.3	Confident	131 Å²	131	88 Å²	88	50%	0.496	44%	0.437	S	S	.	.	H	α-helix	trans	-62.9	-44.4	176.6	179.2	-94.4	0	0	0	112.7	K120 K121 S126 H128	K120-W124 WeakPolarHBondContact O-CB 3.31Å; K120-W124 PolarHBondContact O-N 3.28Å; K121-W124 WeakPolarHBondContact O-CB 3.42Å; K121-W124 PolarHBondContact O-N 3.49Å; K121-W124 VanDerWaalsContact O-N 3.14Å; W124-S126 VanDerWaalsContact C-N 3.3Å; W124-S126 PolarHBondContact O-N 2.78Å; W124-H128 WeakPolarHBondContact CZ3-O 3.4Å; W124-H128 WeakPolarHBondContact O-CA 3.3Å; W124-H128 PolarHBondContact O-N 3.21Å; W124-H128 PolarHBondContact O-ND1 2.85Å
125	D	90.2	Very high	87.1	Confident	98 Å²	98	83.2 Å²	83.2	52%	0.524	42%	0.422	S	S	.	.	H	α-helix	trans	-67	-34.5	-179.2	-70	-15.5	0	0	0	111.1	K121 E122	K121-D125 WeakPolarHBondContact O-CB 3.41Å; K121-D125 VanDerWaalsContact O-CG 3.27Å; K121-D125 PolarHBondContact O-N 2.81Å; E122-D125 PolarHBondContact O-N 3.04Å
126	S	87.1	Confident	86.8	Confident	94 Å²	94	87.5 Å²	87.5	66%	0.657	44%	0.444	S	S	*	.	H	α-helix	trans	-85	-37.7	-177	-56.9	0	0	0	0	114	E122 L123 W124	E122-S126 WeakPolarHBondContact O-CB 3.12Å; E122-S126 PolarHBondContact O-N 2.85Å; E122-S126 PolarHBondContact O-OG 2.95Å; L123-S126 PolarHBondContact O-N 3.46Å; W124-S126 VanDerWaalsContact C-N 3.3Å; W124-S126 PolarHBondContact O-N 2.78Å
127	C	88.7	Confident	86.3	Confident	49 Å²	49	91.9 Å²	91.9	33%	0.331	46%	0.464	S	S	.	.	H	α-helix	trans	-137.7	4.2	-172.1	68	0	0	0	0	115.3	L123 V129	L123-C127 VanDerWaalsContact CD1-SG 3.55Å; L123-C127 PolarHBondContact O-N 2.85Å; L123-C127 PolarHBondContact O-SG 3.04Å; C127-V129 HydrophobicContact CB-CG2 4.36Å; C127-V129 PolarHBondContact O-N 3.35Å; C127-V129 WeakPolarHBondContact SG-CG2 3.28Å
128	H	88.2	Confident	86	Confident	138 Å²	138	88.2 Å²	88.2	64%	0.639	45%	0.447	S	S	*	.			trans	56.4	31.4	-179.1	-55.9	-46.4	0	0	0	114	W124	W124-H128 WeakPolarHBondContact CZ3-O 3.4Å; W124-H128 WeakPolarHBondContact O-CA 3.3Å; W124-H128 PolarHBondContact O-N 3.21Å; W124-H128 PolarHBondContact O-ND1 2.85Å
129	V	84.4	Confident	85.6	Confident	59 Å²	59	83.5 Å²	83.5	36%	0.358	42%	0.422	S	S	.	.			trans	-92.9	113	173.9	174.9	0	0	0	0	109.1	L123 C127	L123-V129 HydrophobicContact CD2-CB 4.18Å; L123-V129 HydrophobicContact CD2-CG1 4.01Å; L123-V129 HydrophobicContact CG-CB 4.15Å; C127-V129 HydrophobicContact CB-CG2 4.36Å; C127-V129 PolarHBondContact O-N 3.35Å; C127-V129 WeakPolarHBondContact SG-CG2 3.28Å
130	G	83.5	Confident	85.3	Confident	51 Å²	51	86.2 Å²	86.2	53%	0.526	44%	0.438	S	S	.	.			trans	-95	135	175.4	0	0	0	0	0	111.2
131	I	81.2	Confident	85.1	Confident	34 Å²	34	87.2 Å²	87.2	17%	0.174	45%	0.452	C	S	.	.			trans	-112.2	122.7	178	-66.3	168.5	0	0	0	109.3	L123 D135 S138 N139 V142	L123-I131 HydrophobicContact CD2-CD1 3.67Å; L123-I131 HydrophobicContact CD2-CG1 4.38Å; I131-D135 HydrophobicContact CG2-CB 4.48Å; I131-S138 VanDerWaalsContact CG2-CB 3.49Å; I131-N139 WeakPolarHBondContact CG2-OD1 3.36Å; I131-V142 HydrophobicContact CD1-CB 4.3Å; I131-V142 HydrophobicContact CD1-CG2 3.12Å
132	P	85.2	Confident	84.9	Confident	84 Å²	84	81.4 Å²	81.4	55%	0.545	43%	0.427	S	S	.	.			trans	-53.5	140.6	174.7	-24.4	33.8	0	0	0	111.6	Q134 D135	P132-Q134 PolarHBondContact O-N 3.49Å; P132-D135 HydrophobicContact CB-CB 4.25Å; P132-D135 PolarHBondContact O-N 3.1Å
133	W	77.5	Confident	84.8	Confident	209 Å²	209	76.8 Å²	76.8	79%	0.792	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.9	-173.8	-162.1	76.7	0	0	0	113.1	N139	W133-N139 PolarHBondContact O-ND2 3.06Å
134	Q	83.6	Confident	84.8	Confident	165 Å²	165	78.9 Å²	78.9	77%	0.771	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.9	-177.5	-64.3	174.8	-13.5	0	0	114.3	P132 H136	P132-Q134 PolarHBondContact O-N 3.49Å; Q134-H136 PolarHBondContact O-CD2 2.88Å; Q134-H136 PolarHBondContact O-N 3.23Å
135	D	84.2	Confident	84.9	Confident	53 Å²	53	73 Å²	73	28%	0.283	40%	0.395	S	S	.	.			trans	-85.7	91.3	-178.7	-173.6	-11.2	0	0	0	110.9	I131 P132 E137 S138 N139	I131-D135 HydrophobicContact CG2-CB 4.48Å; P132-D135 HydrophobicContact CB-CB 4.25Å; P132-D135 PolarHBondContact O-N 3.1Å; D135-E137 PolarHBondContact O-N 3.29Å; D135-E137 PolarHBondContact OD1-N 2.87Å; D135-S138 VanDerWaalsContact CG-CB 3.4Å; D135-S138 PolarHBondContact OD1-N 3.48Å; D135-S138 VanDerWaalsContact OD2-CB 3.24Å; D135-S138 WeakPolarHBondContact OD2-CB 3.38Å; D135-S138 PolarHBondContact OD2-OG 2.7Å; D135-N139 WeakPolarHBondContact O-CB 3.37Å; D135-N139 PolarHBondContact O-N 3.48Å; D135-N139 PolarHBondContact O-ND2 3.43Å; D135-N139 PolarHBondContact O-OD1 3.5Å
136	H	83	Confident	84.9	Confident	139 Å²	139	69.6 Å²	69.6	64%	0.644	38%	0.375	S	S	*	.	H	α-helix	trans	-62.5	-38.9	-179.5	-71	-80.3	0	0	0	113.1	Q134 N139 D140	Q134-H136 PolarHBondContact O-CD2 2.88Å; Q134-H136 PolarHBondContact O-N 3.23Å; H136-N139 WeakPolarHBondContact O-CB 3.31Å; H136-N139 PolarHBondContact O-N 3.06Å; H136-D140 WeakPolarHBondContact O-CB 3.35Å; H136-D140 VanDerWaalsContact O-CG 3.3Å; H136-D140 PolarHBondContact O-N 2.84Å
137	E	80.8	Confident	85.1	Confident	114 Å²	114	65.1 Å²	65.1	53%	0.533	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-44.5	-177.7	-173.9	174.4	-171.1	0	0	110.8	D135 N139 D140 A141	D135-E137 PolarHBondContact O-N 3.29Å; D135-E137 PolarHBondContact OD1-N 2.87Å; E137-N139 VanDerWaalsContact C-N 3.32Å; E137-N139 PolarHBondContact O-N 3.21Å; E137-D140 PolarHBondContact O-N 2.94Å; E137-A141 WeakPolarHBondContact O-CB 3.38Å; E137-A141 PolarHBondContact O-N 3.35Å
138	S	83.5	Confident	85	Confident	31 Å²	31	63.3 Å²	63.3	22%	0.217	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-36.7	173.8	-69.3	0	0	0	0	112.3	I131 D135 A141 V142	I131-S138 VanDerWaalsContact CG2-CB 3.49Å; D135-S138 VanDerWaalsContact CG-CB 3.4Å; D135-S138 PolarHBondContact OD1-N 3.48Å; D135-S138 VanDerWaalsContact OD2-CB 3.24Å; D135-S138 WeakPolarHBondContact OD2-CB 3.38Å; D135-S138 PolarHBondContact OD2-OG 2.7Å; S138-A141 PolarHBondContact O-N 3.04Å; S138-V142 WeakPolarHBondContact O-CG2 3.42Å; S138-V142 PolarHBondContact O-N 2.88Å
139	N	84.5	Confident	85.1	Confident	13 Å²	13	58.9 Å²	58.9	7%	0.07	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-47.2	176	-67.1	-21.4	0	0	0	111.5	L116 K120 I131 W133 D135 H136 E137 V142 I143	L116-N139 HydrophobicContact CD1-CB 4.15Å; L116-N139 HydrophobicContact CD2-CB 3.79Å; K120-N139 WeakPolarHBondContact CE-OD1 3.3Å; K120-N139 PolarHBondContact NZ-OD1 3.1Å; I131-N139 WeakPolarHBondContact CG2-OD1 3.36Å; W133-N139 PolarHBondContact O-ND2 3.06Å; D135-N139 WeakPolarHBondContact O-CB 3.37Å; D135-N139 PolarHBondContact O-N 3.48Å; D135-N139 PolarHBondContact O-ND2 3.43Å; D135-N139 PolarHBondContact O-OD1 3.5Å; H136-N139 WeakPolarHBondContact O-CB 3.31Å; H136-N139 PolarHBondContact O-N 3.06Å; E137-N139 VanDerWaalsContact C-N 3.32Å; E137-N139 PolarHBondContact O-N 3.21Å; N139-V142 PolarHBondContact O-N 2.9Å; N139-I143 WeakPolarHBondContact O-CG1 3.33Å; N139-I143 PolarHBondContact O-N 2.99Å
140	D	84.2	Confident	85.4	Confident	77 Å²	77	57.8 Å²	57.8	41%	0.412	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-41.2	179.3	-72.5	-8.7	0	0	0	111.2	I109 H136 E137 V142 I143 F144	I109-D140 HydrophobicContact CD1-CB 4.26Å; I109-D140 HydrophobicContact CG2-CB 4.07Å; H136-D140 WeakPolarHBondContact O-CB 3.35Å; H136-D140 VanDerWaalsContact O-CG 3.3Å; H136-D140 PolarHBondContact O-N 2.84Å; E137-D140 PolarHBondContact O-N 2.94Å; D140-V142 VanDerWaalsContact C-N 3.34Å; D140-V142 PolarHBondContact O-N 3.13Å; D140-I143 PolarHBondContact O-N 3.27Å; D140-F144 VanDerWaalsContact O-CB 3.3Å; D140-F144 WeakPolarHBondContact O-CB 3.42Å; D140-F144 PolarHBondContact O-N 3.27Å
141	A	84.5	Confident	85.6	Confident	50 Å²	50	55.4 Å²	55.4	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-40.4	175.8	0	0	0	0	0	112.3	E137 S138 G145	E137-A141 WeakPolarHBondContact O-CB 3.38Å; E137-A141 PolarHBondContact O-N 3.35Å; S138-A141 PolarHBondContact O-N 3.04Å; A141-G145 PolarHBondContact O-N 3.21Å
142	V	85.8	Confident	85.9	Confident	11 Å²	11	56.1 Å²	56.1	7%	0.067	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-51.4	174.8	165.3	0	0	0	0	111.3	L116 W119 L123 I131 S138 N139 D140 F144 G145 F146	L116-V142 HydrophobicContact CD1-CB 4.41Å; L116-V142 HydrophobicContact CD1-CG1 4.15Å; W119-V142 HydrophobicContact CB-CG1 4.06Å; L123-V142 HydrophobicContact CD2-CG2 3.84Å; I131-V142 HydrophobicContact CD1-CB 4.3Å; I131-V142 HydrophobicContact CD1-CG2 3.12Å; S138-V142 WeakPolarHBondContact O-CG2 3.42Å; S138-V142 PolarHBondContact O-N 2.88Å; N139-V142 PolarHBondContact O-N 2.9Å; D140-V142 VanDerWaalsContact C-N 3.34Å; D140-V142 PolarHBondContact O-N 3.13Å; V142-F144 VanDerWaalsContact C-N 3.3Å; V142-F144 PolarHBondContact O-N 3.48Å; V142-G145 PolarHBondContact O-N 3.43Å; V142-G145 VanDerWaalsContact O-N 3.15Å; V142-F146 HydrophobicContact CG1-CD2 3.66Å; V142-F146 HydrophobicContact CG1-CE2 3.82Å; V142-F146 WeakPolarHBondContact O-CD2 3.48Å; V142-F146 PolarHBondContact O-N 2.88Å
143	I	87.7	Confident	86.1	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-55.2	-50.7	179	-72.2	158.7	0	0	0	109.9	I109 A113 L116 W119 N139 D140 G145 F146 L147	I109-I143 HydrophobicContact CB-CG2 4.11Å; I109-I143 HydrophobicContact CG1-CG2 4.37Å; I109-I143 HydrophobicContact CG2-CB 3.93Å; I109-I143 HydrophobicContact CG2-CD1 3.96Å; I109-I143 HydrophobicContact CG2-CG2 3.62Å; A113-I143 HydrophobicContact CB-CD1 4.14Å; L116-I143 HydrophobicContact CB-CD1 4.24Å; L116-I143 HydrophobicContact CB-CG1 4.28Å; L116-I143 HydrophobicContact CD1-CD1 4.03Å; L116-I143 HydrophobicContact CD1-CG1 3.83Å; L116-I143 HydrophobicContact CD2-CD1 4.43Å; L116-I143 HydrophobicContact CG-CD1 4.46Å; W119-I143 HydrophobicContact CE3-CB 4.5Å; W119-I143 HydrophobicContact CE3-CG1 4.19Å; W119-I143 HydrophobicContact CZ3-CB 4.19Å; W119-I143 HydrophobicContact CZ3-CG1 4.16Å; W119-I143 HydrophobicContact CZ3-CG2 4Å; N139-I143 WeakPolarHBondContact O-CG1 3.33Å; N139-I143 PolarHBondContact O-N 2.99Å; D140-I143 PolarHBondContact O-N 3.27Å; I143-G145 PolarHBondContact O-N 3.23Å; I143-F146 PolarHBondContact O-N 3.32Å; I143-L147 HydrophobicContact CG2-CD1 3.76Å; I143-L147 HydrophobicContact CG2-CG 4.35Å; I143-L147 WeakPolarHBondContact O-CB 3.36Å; I143-L147 WeakPolarHBondContact O-CG 3.36Å; I143-L147 PolarHBondContact O-N 3.01Å
144	F	87.2	Confident	86.6	Confident	54 Å²	54	50.5 Å²	50.5	24%	0.237	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-46.5	178.4	-178.9	-112.4	0	0	0	111.6	I55 G56 F107 I109 D140 V142 F146 L147 V148	I55-F144 HydrophobicContact CG2-CE2 4.29Å; I55-F144 HydrophobicContact CG2-CZ 4.18Å; G56-F144 VanDerWaalsContact C-CE2 3.43Å; F107-F144 HydrophobicContact CD2-CD2 4.45Å; F107-F144 HydrophobicContact CD2-CE2 4.04Å; I109-F144 HydrophobicContact CD1-CB 3.99Å; I109-F144 HydrophobicContact CG1-CB 4.31Å; D140-F144 VanDerWaalsContact O-CB 3.3Å; D140-F144 WeakPolarHBondContact O-CB 3.42Å; D140-F144 PolarHBondContact O-N 3.27Å; V142-F144 VanDerWaalsContact C-N 3.3Å; V142-F144 PolarHBondContact O-N 3.48Å; F144-F146 PolarHBondContact O-N 2.69Å; F144-L147 PolarHBondContact O-N 3.5Å; F144-V148 HydrophobicContact CD1-CG2 4.34Å; F144-V148 HydrophobicContact CD2-CG2 4.21Å; F144-V148 HydrophobicContact CE1-CG2 3.95Å; F144-V148 HydrophobicContact CE2-CG2 3.81Å; F144-V148 HydrophobicContact CG-CG2 4.46Å; F144-V148 HydrophobicContact CZ-CG2 3.67Å; F144-V148 VanDerWaalsContact O-CG2 3.28Å; F144-V148 WeakPolarHBondContact O-CG2 3.45Å; F144-V148 PolarHBondContact O-N 2.9Å
145	G	87.1	Confident	86.5	Confident	9 Å²	9	43.5 Å²	43.5	9%	0.093	23%	0.231	C	C	.	.	H	α-helix	trans	-57.4	-46.2	178.4	0	0	0	0	0	113.1	A141 V142 I143 V148 A149	A141-G145 PolarHBondContact O-N 3.21Å; V142-G145 PolarHBondContact O-N 3.43Å; V142-G145 VanDerWaalsContact O-N 3.15Å; I143-G145 PolarHBondContact O-N 3.23Å; G145-V148 PolarHBondContact O-N 2.68Å; G145-A149 WeakPolarHBondContact O-CB 3.48Å; G145-A149 PolarHBondContact O-N 3.26Å
146	F	90.7	Very high	86.4	Confident	25 Å²	25	46.3 Å²	46.3	11%	0.11	25%	0.245	C	C	.	.	H	α-helix	trans	-68.4	-37.2	177.3	-86.1	-81.6	0	0	0	112.9	W119 E122 L123 V142 I143 F144 V148 A149 W150	W119-F146 HydrophobicContact CB-CD1 4.41Å; W119-F146 HydrophobicContact CB-CD2 3.58Å; W119-F146 HydrophobicContact CB-CE1 4.46Å; W119-F146 HydrophobicContact CB-CE2 3.65Å; W119-F146 HydrophobicContact CB-CG 3.98Å; W119-F146 HydrophobicContact CB-CZ 4.1Å; W119-F146 AromaticContact CD1-CD1 3.47Å; W119-F146 VanDerWaalsContact CD1-CD1 3.47Å; W119-F146 AromaticContact CD1-CE1 3.79Å; W119-F146 AromaticContact CD1-CG 3.68Å; W119-F146 HydrophobicContact CD2-CB 3.54Å; W119-F146 HydrophobicContact CD2-CD1 4.26Å; W119-F146 HydrophobicContact CD2-CD2 4.11Å; W119-F146 AromaticContact CD2-CG 3.72Å; W119-F146 HydrophobicContact CD2-CG 3.72Å; W119-F146 AromaticContact CE2-CG 3.96Å; W119-F146 HydrophobicContact CE3-CB 3.83Å; W119-F146 HydrophobicContact CE3-CG 4.33Å; W119-F146 HydrophobicContact CG-CB 3.97Å; W119-F146 AromaticContact CG-CD1 3.84Å; W119-F146 HydrophobicContact CG-CD1 3.84Å; W119-F146 AromaticContact CG-CD2 3.71Å; W119-F146 HydrophobicContact CG-CD2 3.71Å; W119-F146 HydrophobicContact CG-CE1 4.24Å; W119-F146 HydrophobicContact CG-CE2 4.12Å; W119-F146 AromaticContact CG-CG 3.55Å; W119-F146 HydrophobicContact CG-CG 3.55Å; W119-F146 HydrophobicContact CG-CZ 4.36Å; W119-F146 HydrophobicContact CH2-CB 4.16Å; W119-F146 HydrophobicContact CZ2-CB 3.89Å; W119-F146 HydrophobicContact CZ3-CB 4.14Å; W119-F146 AromaticContact NE1-CD1 3.7Å; W119-F146 AromaticContact NE1-CG 3.92Å; W119-F146 WeakPolarHBondContact O-CE2 3.4Å; E122-F146 HydrophobicContact CB-CE1 4.37Å; E122-F146 HydrophobicContact CB-CZ 4.11Å; E122-F146 HydrophobicContact CG-CE1 4.15Å; E122-F146 HydrophobicContact CG-CZ 4.19Å; E122-F146 WeakPolarHBondContact OE1-CE1 3.25Å; L123-F146 HydrophobicContact CB-CE2 4.44Å; V142-F146 HydrophobicContact CG1-CD2 3.66Å; V142-F146 HydrophobicContact CG1-CE2 3.82Å; V142-F146 WeakPolarHBondContact O-CD2 3.48Å; V142-F146 PolarHBondContact O-N 2.88Å; I143-F146 PolarHBondContact O-N 3.32Å; F144-F146 PolarHBondContact O-N 2.69Å; F146-V148 VanDerWaalsContact C-N 3.34Å; F146-A149 PolarHBondContact O-N 2.66Å; F146-W150 VanDerWaalsContact O-CB 3.31Å; F146-W150 WeakPolarHBondContact O-CB 3.36Å; F146-W150 PolarHBondContact O-N 2.98Å
147	L	90.6	Very high	86.2	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-41.5	174.3	-72.6	174.4	0	0	0	111.9	M84 V89 F107 W119 I143 F144 W150 F151	M84-L147 HydrophobicContact CE-CD2 4.44Å; V89-L147 HydrophobicContact CB-CD2 4.45Å; V89-L147 HydrophobicContact CG1-CD2 3.6Å; V89-L147 HydrophobicContact CG2-CD2 3.94Å; F107-L147 HydrophobicContact CB-CB 4.49Å; F107-L147 HydrophobicContact CB-CD1 3.93Å; F107-L147 HydrophobicContact CD1-CB 4.27Å; F107-L147 HydrophobicContact CD2-CB 4.42Å; F107-L147 HydrophobicContact CG-CB 4.15Å; F107-L147 HydrophobicContact CG-CD1 4.39Å; W119-L147 HydrophobicContact CH2-CD2 3.83Å; W119-L147 HydrophobicContact CH2-CG 4Å; W119-L147 HydrophobicContact CZ3-CG 4.43Å; I143-L147 HydrophobicContact CG2-CD1 3.76Å; I143-L147 HydrophobicContact CG2-CG 4.35Å; I143-L147 WeakPolarHBondContact O-CB 3.36Å; I143-L147 WeakPolarHBondContact O-CG 3.36Å; I143-L147 PolarHBondContact O-N 3.01Å; F144-L147 PolarHBondContact O-N 3.5Å; L147-W150 HydrophobicContact CD2-CE3 4.47Å; L147-F151 VanDerWaalsContact O-CB 3.31Å; L147-F151 WeakPolarHBondContact O-CB 3.16Å; L147-F151 PolarHBondContact O-N 3.02Å
148	V	88.4	Confident	85.9	Confident	12 Å²	12	42.5 Å²	42.5	7%	0.073	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-45.6	175.2	174.7	0	0	0	0	110.8	F3 I55 F107 F144 G145 F146 W150 F151 L152	F3-V148 HydrophobicContact CZ-CG1 3.98Å; I55-V148 HydrophobicContact CG2-CG2 3.83Å; F107-V148 HydrophobicContact CD2-CG2 4.35Å; F107-V148 HydrophobicContact CE2-CG2 4.19Å; F144-V148 HydrophobicContact CD1-CG2 4.34Å; F144-V148 HydrophobicContact CD2-CG2 4.21Å; F144-V148 HydrophobicContact CE1-CG2 3.95Å; F144-V148 HydrophobicContact CE2-CG2 3.81Å; F144-V148 HydrophobicContact CG-CG2 4.46Å; F144-V148 HydrophobicContact CZ-CG2 3.67Å; F144-V148 VanDerWaalsContact O-CG2 3.28Å; F144-V148 WeakPolarHBondContact O-CG2 3.45Å; F144-V148 PolarHBondContact O-N 2.9Å; G145-V148 PolarHBondContact O-N 2.68Å; F146-V148 VanDerWaalsContact C-N 3.34Å; V148-W150 VanDerWaalsContact C-N 3.33Å; V148-W150 PolarHBondContact O-N 3.39Å; V148-F151 PolarHBondContact O-N 3.35Å; V148-L152 HydrophobicContact CG1-CD1 4.11Å; V148-L152 HydrophobicContact CG1-CG 4.43Å; V148-L152 VanDerWaalsContact O-CG 3.31Å; V148-L152 WeakPolarHBondContact O-CG 3.48Å; V148-L152 PolarHBondContact O-N 3Å
149	A	88.9	Confident	85.2	Confident	45 Å²	45	47.9 Å²	47.9	37%	0.372	25%	0.249	S	C	.	.	H	α-helix	trans	-59.4	-45.8	177.8	0	0	0	0	0	111.4	G145 F146 L152 Q153	G145-A149 WeakPolarHBondContact O-CB 3.48Å; G145-A149 PolarHBondContact O-N 3.26Å; F146-A149 PolarHBondContact O-N 2.66Å; A149-L152 PolarHBondContact O-N 2.88Å; A149-Q153 PolarHBondContact O-N 3.2Å
150	W	90.6	Very high	84.3	Confident	36 Å²	36	51.2 Å²	51.2	14%	0.136	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-48.4	176.1	-176.1	4.3	0	0	0	111.6	M84 Q87 V89 R115 W119 F146 L147 V148 L152 Q153 E154	M84-W150 HydrophobicContact CE-CB 4.45Å; M84-W150 HydrophobicContact CE-CD2 4.31Å; M84-W150 HydrophobicContact CE-CE3 4.5Å; M84-W150 HydrophobicContact CE-CG 4.3Å; Q87-W150 HydrophobicContact CB-CH2 3.55Å; Q87-W150 HydrophobicContact CB-CZ2 3.83Å; Q87-W150 HydrophobicContact CG-CH2 4.09Å; Q87-W150 HydrophobicContact CG-CZ2 3.87Å; V89-W150 HydrophobicContact CG2-CE3 4.27Å; V89-W150 HydrophobicContact CG2-CH2 4.02Å; V89-W150 HydrophobicContact CG2-CZ3 3.57Å; R115-W150 VanDerWaalsContact NH1-CH2 3.32Å; W119-W150 HydrophobicContact CZ2-CE3 4.42Å; F146-W150 VanDerWaalsContact O-CB 3.31Å; F146-W150 WeakPolarHBondContact O-CB 3.36Å; F146-W150 PolarHBondContact O-N 2.98Å; L147-W150 HydrophobicContact CD2-CE3 4.47Å; V148-W150 VanDerWaalsContact C-N 3.33Å; V148-W150 PolarHBondContact O-N 3.39Å; W150-L152 VanDerWaalsContact C-N 3.31Å; W150-L152 PolarHBondContact O-N 3.06Å; W150-Q153 WeakPolarHBondContact O-CB 3.45Å; W150-Q153 PolarHBondContact O-N 2.96Å; W150-Q153 VanDerWaalsContact O-N 3.1Å; W150-E154 PolarHBondContact NE1-OE1 3.43Å; W150-E154 WeakPolarHBondContact O-CG 3.41Å; W150-E154 PolarHBondContact O-N 3.15Å
151	F	88.8	Confident	83	Confident	1 Å²	1	51.6 Å²	51.6	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-54.9	-46.7	176.2	171.1	-99.9	0	0	0	112.3	I55 M77 T80 L81 M84 V105 F107 L147 V148 Q153 E154 V155	I55-F151 HydrophobicContact CD1-CD1 3.88Å; I55-F151 HydrophobicContact CD1-CE1 3.7Å; M77-F151 HydrophobicContact CE-CZ 3.87Å; M77-F151 HydrophobicContact SD-CE2 3.65Å; M77-F151 HydrophobicContact SD-CZ 3.56Å; M77-F151 VanDerWaalsContact SD-CZ 3.56Å; T80-F151 HydrophobicContact CG2-CD2 3.67Å; T80-F151 HydrophobicContact CG2-CE2 3.88Å; L81-F151 HydrophobicContact CD2-CD2 4.29Å; L81-F151 HydrophobicContact CD2-CE2 3.92Å; M84-F151 HydrophobicContact CE-CB 4.05Å; M84-F151 HydrophobicContact SD-CB 3.81Å; M84-F151 HydrophobicContact SD-CD2 3.86Å; M84-F151 HydrophobicContact SD-CG 4.35Å; V105-F151 HydrophobicContact CG1-CD2 4.47Å; V105-F151 HydrophobicContact CG1-CE2 4.17Å; V105-F151 HydrophobicContact CG1-CZ 4.43Å; V105-F151 HydrophobicContact CG2-CE2 4.33Å; V105-F151 HydrophobicContact CG2-CZ 4.11Å; F107-F151 HydrophobicContact CE1-CB 4.32Å; F107-F151 HydrophobicContact CE2-CB 4.33Å; F107-F151 HydrophobicContact CE2-CG 4.49Å; F107-F151 HydrophobicContact CZ-CB 3.55Å; F107-F151 HydrophobicContact CZ-CD1 4.43Å; F107-F151 AromaticContact CZ-CD2 3.9Å; F107-F151 HydrophobicContact CZ-CD2 3.9Å; F107-F151 AromaticContact CZ-CG 3.71Å; F107-F151 HydrophobicContact CZ-CG 3.71Å; L147-F151 VanDerWaalsContact O-CB 3.31Å; L147-F151 WeakPolarHBondContact O-CB 3.16Å; L147-F151 PolarHBondContact O-N 3.02Å; V148-F151 PolarHBondContact O-N 3.35Å; F151-Q153 VanDerWaalsContact C-N 3.32Å; F151-Q153 PolarHBondContact O-N 2.75Å; F151-E154 PolarHBondContact O-N 2.97Å; F151-V155 HydrophobicContact CD1-CG2 4.38Å; F151-V155 HydrophobicContact CD2-CG2 4.3Å; F151-V155 HydrophobicContact CE1-CG2 3.96Å; F151-V155 HydrophobicContact CE2-CG2 3.87Å; F151-V155 HydrophobicContact CZ-CG2 3.7Å; F151-V155 WeakPolarHBondContact O-CG2 3.41Å; F151-V155 PolarHBondContact O-N 3.33Å
152	L	87.9	Confident	81.6	Confident	48 Å²	48	53.6 Å²	53.6	25%	0.251	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-39.5	178.3	-68.1	174.6	0	0	0	111.9	F3 V148 A149 W150 V155 I156	F3-L152 HydrophobicContact CE2-CD1 4.45Å; F3-L152 HydrophobicContact CZ-CD1 4.44Å; V148-L152 HydrophobicContact CG1-CD1 4.11Å; V148-L152 HydrophobicContact CG1-CG 4.43Å; V148-L152 VanDerWaalsContact O-CG 3.31Å; V148-L152 WeakPolarHBondContact O-CG 3.48Å; V148-L152 PolarHBondContact O-N 3Å; A149-L152 PolarHBondContact O-N 2.88Å; W150-L152 VanDerWaalsContact C-N 3.31Å; W150-L152 PolarHBondContact O-N 3.06Å; L152-V155 PolarHBondContact O-N 3.26Å; L152-I156 WeakPolarHBondContact O-CB 3.26Å; L152-I156 WeakPolarHBondContact O-CD1 3.03Å; L152-I156 WeakPolarHBondContact O-CG1 3.44Å; L152-I156 PolarHBondContact O-N 2.94Å
153	Q	88.6	Confident	80.3	Confident	135 Å²	135	59.4 Å²	59.4	63%	0.631	32%	0.324	S	S	*	.	H	α-helix	trans	-62	-46.1	176.4	-179.1	177.2	-31.3	0	0	112	A149 W150 F151 I156 F157	A149-Q153 PolarHBondContact O-N 3.2Å; W150-Q153 WeakPolarHBondContact O-CB 3.45Å; W150-Q153 PolarHBondContact O-N 2.96Å; W150-Q153 VanDerWaalsContact O-N 3.1Å; F151-Q153 VanDerWaalsContact C-N 3.32Å; F151-Q153 PolarHBondContact O-N 2.75Å; Q153-I156 PolarHBondContact O-N 3.37Å; Q153-F157 WeakPolarHBondContact O-CB 2.97Å; Q153-F157 PolarHBondContact O-N 2.96Å
154	E	87.4	Confident	78.4	Confident	41 Å²	41	67.8 Å²	67.8	19%	0.192	36%	0.361	C	S	.	.	H	α-helix	trans	-64.1	-42.5	178	-67	-76.8	154.7	0	0	111.7	T80 S83 M84 W150 F151 I156 F157 C158	T80-E154 HydrophobicContact CG2-CB 3.4Å; T80-E154 HydrophobicContact CG2-CG 4.35Å; S83-E154 WeakPolarHBondContact CB-OE2 3.35Å; S83-E154 PolarHBondContact OG-OE2 3.39Å; M84-E154 HydrophobicContact CG-CG 4.47Å; W150-E154 PolarHBondContact NE1-OE1 3.43Å; W150-E154 WeakPolarHBondContact O-CG 3.41Å; W150-E154 PolarHBondContact O-N 3.15Å; F151-E154 PolarHBondContact O-N 2.97Å; E154-I156 PolarHBondContact O-N 3.47Å; E154-F157 PolarHBondContact O-N 3.33Å; E154-C158 PolarHBondContact O-N 3.11Å
155	V	82.7	Confident	76.2	Confident	17 Å²	17	70 Å²	70	10%	0.103	38%	0.38	C	S	.	.	H	α-helix	trans	-60.7	-47.5	176.4	171.2	0	0	0	0	110.7	T80 F151 L152 F157 C158 F159	T80-V155 HydrophobicContact CG2-CG2 3.82Å; T80-V155 PolarHBondContact OG1-N 3.19Å; F151-V155 HydrophobicContact CD1-CG2 4.38Å; F151-V155 HydrophobicContact CD2-CG2 4.3Å; F151-V155 HydrophobicContact CE1-CG2 3.96Å; F151-V155 HydrophobicContact CE2-CG2 3.87Å; F151-V155 HydrophobicContact CZ-CG2 3.7Å; F151-V155 WeakPolarHBondContact O-CG2 3.41Å; F151-V155 PolarHBondContact O-N 3.33Å; L152-V155 PolarHBondContact O-N 3.26Å; V155-F157 VanDerWaalsContact C-N 3.35Å; V155-F157 PolarHBondContact O-N 2.88Å; V155-C158 PolarHBondContact O-N 2.81Å; V155-F159 HydrophobicContact CG1-CD2 3.67Å; V155-F159 HydrophobicContact CG1-CE2 3.43Å; V155-F159 VanDerWaalsContact CG1-CE2 3.43Å; V155-F159 WeakPolarHBondContact O-CD2 3.09Å; V155-F159 PolarHBondContact O-N 2.63Å; V155-F159 VanDerWaalsContact O-N 3.1Å
156	I	80.9	Confident	74.4	Confident	112 Å²	112	75.5 Å²	75.5	57%	0.574	41%	0.414	S	S	*	.	H	α-helix	trans	-62.7	-43	179	-69.2	164.6	0	0	0	110.9	L152 Q153 E154 C158 F159 S160	L152-I156 WeakPolarHBondContact O-CB 3.26Å; L152-I156 WeakPolarHBondContact O-CD1 3.03Å; L152-I156 WeakPolarHBondContact O-CG1 3.44Å; L152-I156 PolarHBondContact O-N 2.94Å; Q153-I156 PolarHBondContact O-N 3.37Å; E154-I156 PolarHBondContact O-N 3.47Å; I156-C158 VanDerWaalsContact C-N 3.26Å; I156-C158 PolarHBondContact O-N 3.28Å; I156-F159 PolarHBondContact O-N 2.71Å; I156-F159 VanDerWaalsContact O-N 3.13Å; I156-S160 PolarHBondContact O-N 2.86Å
157	F	79.8	Confident	72.7	Confident	134 Å²	134	78.4 Å²	78.4	59%	0.588	44%	0.438	S	S	*	.	H	α-helix	trans	-58.3	-40	176.9	-178.3	-99.1	0	0	0	111.7	Q153 E154 V155 S160	Q153-F157 WeakPolarHBondContact O-CB 2.97Å; Q153-F157 PolarHBondContact O-N 2.96Å; E154-F157 PolarHBondContact O-N 3.33Å; V155-F157 VanDerWaalsContact C-N 3.35Å; V155-F157 PolarHBondContact O-N 2.88Å; F157-S160 CarbonylContact O-C 3.59Å; F157-S160 PolarHBondContact O-N 3.35Å
158	C	74.3	Confident	70.4	Confident	39 Å²	39	84.2 Å²	84.2	26%	0.264	48%	0.479	S	S	.	.	H	α-helix	trans	-72.3	-29.3	177.3	-164.5	0	0	0	0	113.8	S76 E154 V155 I156	S76-C158 WeakPolarHBondContact CA-SG 3.36Å; S76-C158 WeakPolarHBondContact CB-SG 3.37Å; S76-C158 PolarHBondContact OG-SG 2.52Å; E154-C158 PolarHBondContact O-N 3.11Å; V155-C158 PolarHBondContact O-N 2.81Å; I156-C158 VanDerWaalsContact C-N 3.26Å; I156-C158 PolarHBondContact O-N 3.28Å
159	F	69.5	Low	68.3	Low	144 Å²	144	91.1 Å²	91.1	63%	0.632	52%	0.515	S	S	*	.	H	α-helix	trans	-73.4	-27	173	-80.9	-67.3	0	0	0	113.2	V155 I156 P161	V155-F159 HydrophobicContact CG1-CD2 3.67Å; V155-F159 HydrophobicContact CG1-CE2 3.43Å; V155-F159 VanDerWaalsContact CG1-CE2 3.43Å; V155-F159 WeakPolarHBondContact O-CD2 3.09Å; V155-F159 PolarHBondContact O-N 2.63Å; V155-F159 VanDerWaalsContact O-N 3.1Å; I156-F159 PolarHBondContact O-N 2.71Å; I156-F159 VanDerWaalsContact O-N 3.13Å; F159-P161 VanDerWaalsContact C-CD 3.49Å; F159-P161 WeakPolarHBondContact O-CD 2.8Å
160	S	65.7	Low	66.1	Low	83 Å²	83	92.4 Å²	92.4	58%	0.58	53%	0.532	S	S	*	.	S	Bend	trans	-120.8	71.7	177.5	-179.9	0	0	0	0	110.6	I156 F157	I156-S160 PolarHBondContact O-N 2.86Å; F157-S160 CarbonylContact O-C 3.59Å; F157-S160 PolarHBondContact O-N 3.35Å
161	P	56.7	Low	63.6	Low	86 Å²	86	95.6 Å²	95.6	56%	0.558	57%	0.566	S	S	*	*			trans	-57.8	146.1	173.4	26.3	-33.4	0	0	0	109.6	F159 V163	F159-P161 VanDerWaalsContact C-CD 3.49Å; F159-P161 WeakPolarHBondContact O-CD 2.8Å; P161-V163 PolarHBondContact O-N 3.46Å
162	P	53.9	Low	61.7	Low	91 Å²	91	105.6 Å²	105.6	59%	0.591	63%	0.627	S	S	*	*			trans	-54.5	130.4	176.8	21.5	-31.2	0	0	0	109.9	F164	P162-F164 PolarHBondContact O-N 3.16Å
163	V	58.2	Low	60.4	Low	133 Å²	133	108.5 Å²	108.5	81%	0.806	65%	0.646	S	S	*	*	S	Bend	trans	-63.6	-11.7	-174.8	-178.3	0	0	0	0	112.8	P161	P161-V163 PolarHBondContact O-N 3.46Å
164	F	49	Very low	58.9	Low	179 Å²	179	107.1 Å²	107.1	79%	0.785	65%	0.646	S	S	*	*			trans	-102	112.4	173.9	-74.6	-83	0	0	0	110.5	P162	P162-F164 PolarHBondContact O-N 3.16Å
165	P	40.8	Very low	57.3	Low	99 Å²	99	110.8 Å²	110.8	64%	0.643	67%	0.672	S	S	*	*			trans	-59	151.7	156.6	28.3	-31.3	0	0	0	107.7	S167	P165-S167 PolarHBondContact O-N 2.99Å
166	P	49.9	Very low	55.8	Low	125 Å²	125	116.3 Å²	116.3	81%	0.812	71%	0.705	S	S	*	*			trans	-52.5	114.7	171	22.6	-31	0	0	0	106.5	S168	P166-S168 PolarHBondContact O-N 2.88Å
167	S	54.3	Low	54.3	Low	86 Å²	86	116.6 Å²	116.6	60%	0.601	71%	0.713	S	S	*	*			trans	-44	119	172.7	38.6	0	0	0	0	106.7	P165 L169	P165-S167 PolarHBondContact O-N 2.99Å; S167-L169 PolarHBondContact O-N 2.91Å
168	S	42.1	Very low	52.6	Low	123 Å²	123	115.4 Å²	115.4	86%	0.86	72%	0.722	S	S	*	*			trans	-61.7	73.5	168.3	50.4	0	0	0	0	108.2	P166	P166-S168 PolarHBondContact O-N 2.88Å
169	L	44.7	Very low	51	Low	157 Å²	157	120.9 Å²	120.9	82%	0.822	75%	0.754	S	S	*	*			trans	-101.3	87	172.3	-94.5	161.8	0	0	0	105.2	S167	S167-L169 PolarHBondContact O-N 2.91Å
170	G	41.7	Very low	49.6	Very low	72 Å²	72	119.1 Å²	119.1	74%	0.742	76%	0.764	S	S	*	*			trans	158.5	23.9	177.8	0	0	0	0	0	115.4
171	A	38.8	Very low	48.2	Very low	103 Å²	103	122.1 Å²	122.1	85%	0.851	78%	0.779	S	S	*	*			trans	-95.5	83.4	154.2	0	0	0	0	0	106.8
172	V	48.8	Very low	47.5	Very low	211 Å²	211	125.4 Å²	125.4	100%	1.279	80%	0.799	S	S	*	*			trans	-114.3	0	156.9	-176.3	0	0	0	0	106.2

Retrieved 172 of 172 residues in 386.5 ms (Link to these results)

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