A0A077ZMP4_TRITR Loading...

PCI domain-containing protein 2 homolog

AlphaFold DB , UniProt , Accession A0A077ZMP4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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	M	43.8	Very low	73.9	Confident	218 Å²	218	77.5 Å²	77.5	100%	1.074	42%	0.416	S	S	*	.				0	121.9	0	-154.1	176.5	-77.3	0	0	106.9	Q3	M1-Q3 PolarHBondContact O-N 3.13Å; M1-Q3 VanDerWaalsContact O-N 3.15Å
2	N	58.7	Low	75	Confident	90 Å²	90	79.2 Å²	79.2	48%	0.481	42%	0.419	S	S	.	.			trans	-62.1	117.2	-179.6	-177.5	-2.6	0	0	0	108.1	W4 S5	N2-W4 PolarHBondContact O-N 3.2Å; N2-W4 WeakPolarHBondContact OD1-CB 3.43Å; N2-W4 PolarHBondContact OD1-N 3.13Å; N2-S5 PolarHBondContact O-N 2.98Å; N2-S5 PolarHBondContact O-OG 3.18Å
3	Q	66.2	Low	75.7	Confident	107 Å²	107	79.3 Å²	79.3	50%	0.5	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-23.4	-179.6	63.9	-177.4	-16.6	0	0	113	M1 V7	M1-Q3 PolarHBondContact O-N 3.13Å; M1-Q3 VanDerWaalsContact O-N 3.15Å; Q3-V7 WeakPolarHBondContact O-CG2 3.35Å
4	W	73	Confident	76.2	Confident	14 Å²	14	76.6 Å²	76.6	5%	0.053	41%	0.412	C	S	.	.	H	α-helix	trans	-76.7	-17	180	-60.7	123.3	0	0	0	115.2	N2 N6 V7 V8 R38 K39 Y42	N2-W4 PolarHBondContact O-N 3.2Å; N2-W4 WeakPolarHBondContact OD1-CB 3.43Å; N2-W4 PolarHBondContact OD1-N 3.13Å; W4-N6 PolarHBondContact O-N 2.85Å; W4-N6 VanDerWaalsContact O-N 3.17Å; W4-V7 HydrophobicContact CE3-CB 4.09Å; W4-V7 HydrophobicContact CE3-CG1 4.15Å; W4-V7 HydrophobicContact CZ3-CB 4.42Å; W4-V7 HydrophobicContact CZ3-CG1 4.02Å; W4-V7 PolarHBondContact O-N 3.28Å; W4-V8 HydrophobicContact CB-CG2 4.01Å; W4-V8 HydrophobicContact CE3-CG2 4.5Å; W4-V8 WeakPolarHBondContact O-CB 3.27Å; W4-V8 WeakPolarHBondContact O-CG2 3.41Å; W4-V8 PolarHBondContact O-N 2.9Å; W4-R38 HydrophobicContact CH2-CB 3.56Å; W4-R38 HydrophobicContact CZ2-CB 4.26Å; W4-K39 HydrophobicContact CE3-CB 4.31Å; W4-K39 HydrophobicContact CH2-CB 4.08Å; W4-K39 HydrophobicContact CZ3-CB 3.83Å; W4-Y42 AromaticContact NE1-CD2 3.61Å; W4-Y42 AromaticContact NE1-CG 3.57Å
5	S	73.3	Confident	76.7	Confident	59 Å²	59	76.1 Å²	76.1	41%	0.413	41%	0.409	S	S	.	.	H	α-helix	trans	-58.3	-34.8	-175.3	65.4	0	0	0	0	113	N2 P9	N2-S5 PolarHBondContact O-N 2.98Å; N2-S5 PolarHBondContact O-OG 3.18Å; S5-P9 VanDerWaalsContact O-CD 3.24Å; S5-P9 WeakPolarHBondContact O-CD 3.41Å; S5-P9 WeakPolarHBondContact O-CG 3.47Å
6	N	76.5	Confident	77.2	Confident	111 Å²	111	84.3 Å²	84.3	59%	0.594	43%	0.433	S	S	*	.	H	α-helix	trans	-96.6	-27.5	-178.6	-59.7	-9.9	0	0	0	111.9	W4 L10	W4-N6 PolarHBondContact O-N 2.85Å; W4-N6 VanDerWaalsContact O-N 3.17Å; N6-L10 WeakPolarHBondContact O-CD1 3.19Å; N6-L10 WeakPolarHBondContact O-CG 3.44Å
7	V	82.1	Confident	77.5	Confident	30 Å²	30	81.6 Å²	81.6	18%	0.182	42%	0.423	C	S	.	.	H	α-helix	trans	-81.7	-38.6	-174.4	-179.9	0	0	0	0	111.7	Q3 W4 L10 I11 F35	Q3-V7 WeakPolarHBondContact O-CG2 3.35Å; W4-V7 HydrophobicContact CE3-CB 4.09Å; W4-V7 HydrophobicContact CE3-CG1 4.15Å; W4-V7 HydrophobicContact CZ3-CB 4.42Å; W4-V7 HydrophobicContact CZ3-CG1 4.02Å; W4-V7 PolarHBondContact O-N 3.28Å; V7-L10 PolarHBondContact O-N 3.36Å; V7-I11 HydrophobicContact CG1-CD1 3.85Å; V7-I11 HydrophobicContact CG1-CG1 4.25Å; V7-I11 WeakPolarHBondContact O-CG1 3.38Å; V7-I11 PolarHBondContact O-N 3.34Å; V7-F35 HydrophobicContact CG1-CB 4Å; V7-F35 HydrophobicContact CG1-CD1 4.01Å; V7-F35 HydrophobicContact CG1-CG 4.16Å
8	V	84.5	Confident	77.4	Confident	36 Å²	36	84.6 Å²	84.6	22%	0.218	44%	0.435	C	S	.	.	H	α-helix	trans	-62.6	-45.7	-178	171.7	0	0	0	0	112.5	W4 L10 I11 Q12 K39	W4-V8 HydrophobicContact CB-CG2 4.01Å; W4-V8 HydrophobicContact CE3-CG2 4.5Å; W4-V8 WeakPolarHBondContact O-CB 3.27Å; W4-V8 WeakPolarHBondContact O-CG2 3.41Å; W4-V8 PolarHBondContact O-N 2.9Å; V8-L10 VanDerWaalsContact C-N 3.27Å; V8-L10 PolarHBondContact O-N 3.3Å; V8-I11 PolarHBondContact O-N 3.36Å; V8-Q12 WeakPolarHBondContact O-CG 3.48Å; V8-Q12 PolarHBondContact O-N 2.85Å; V8-K39 HydrophobicContact CG2-CD 4.31Å
9	P	85.7	Confident	77.5	Confident	61 Å²	61	88.6 Å²	88.6	40%	0.396	46%	0.457	S	S	.	.	H	α-helix	trans	-60.8	-35.9	175.3	-24.9	35.6	0	0	0	113.1	S5 Q12 T13	S5-P9 VanDerWaalsContact O-CD 3.24Å; S5-P9 WeakPolarHBondContact O-CD 3.41Å; S5-P9 WeakPolarHBondContact O-CG 3.47Å; P9-Q12 PolarHBondContact O-N 3.1Å; P9-T13 WeakPolarHBondContact O-CB 3.3Å; P9-T13 PolarHBondContact O-N 3.31Å; P9-T13 PolarHBondContact O-OG1 2.78Å
10	L	83.6	Confident	77.6	Confident	115 Å²	115	88.7 Å²	88.7	60%	0.602	46%	0.458	S	S	*	.	H	α-helix	trans	-67	-44.1	177	-68.8	172.2	0	0	0	111.7	N6 V7 V8 Q12 T13 V14	N6-L10 WeakPolarHBondContact O-CD1 3.19Å; N6-L10 WeakPolarHBondContact O-CG 3.44Å; V7-L10 PolarHBondContact O-N 3.36Å; V8-L10 VanDerWaalsContact C-N 3.27Å; V8-L10 PolarHBondContact O-N 3.3Å; L10-Q12 VanDerWaalsContact C-N 3.33Å; L10-Q12 PolarHBondContact O-N 3.14Å; L10-T13 WeakPolarHBondContact O-CB 3.01Å; L10-T13 PolarHBondContact O-N 3.19Å; L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 3.38Å
11	I	85.5	Confident	77.8	Confident	12 Å²	12	87 Å²	87	6%	0.062	45%	0.449	C	S	.	.	H	α-helix	trans	-56.8	-49.5	173.6	-67.9	168.8	0	0	0	109.7	V7 V8 T13 V14 D15 Y32 F35 V36 K39	V7-I11 HydrophobicContact CG1-CD1 3.85Å; V7-I11 HydrophobicContact CG1-CG1 4.25Å; V7-I11 WeakPolarHBondContact O-CG1 3.38Å; V7-I11 PolarHBondContact O-N 3.34Å; V8-I11 PolarHBondContact O-N 3.36Å; I11-T13 PolarHBondContact O-N 2.71Å; I11-V14 PolarHBondContact O-N 2.8Å; I11-V14 VanDerWaalsContact O-N 3.15Å; I11-D15 PolarHBondContact O-N 2.77Å; I11-Y32 HydrophobicContact CG2-CE2 4.33Å; I11-F35 HydrophobicContact CD1-CB 4.36Å; I11-V36 HydrophobicContact CD1-CG2 4.23Å; I11-V36 HydrophobicContact CG1-CG2 4.11Å; I11-V36 HydrophobicContact CG2-CG2 3.79Å; I11-K39 HydrophobicContact CD1-CB 4.21Å; I11-K39 HydrophobicContact CD1-CD 4.08Å
12	Q	86.8	Confident	79.6	Confident	97 Å²	97	83.4 Å²	83.4	45%	0.453	43%	0.434	S	S	.	.	H	α-helix	trans	-61.5	-32.3	178.9	-70.6	175	-12.1	0	0	113.3	V8 P9 L10 R16	V8-Q12 WeakPolarHBondContact O-CG 3.48Å; V8-Q12 PolarHBondContact O-N 2.85Å; P9-Q12 PolarHBondContact O-N 3.1Å; L10-Q12 VanDerWaalsContact C-N 3.33Å; L10-Q12 PolarHBondContact O-N 3.14Å; Q12-R16 VanDerWaalsContact O-CG 3.26Å; Q12-R16 WeakPolarHBondContact O-CG 3.39Å; Q12-R16 PolarHBondContact O-N 2.83Å; Q12-R16 VanDerWaalsContact O-N 3.15Å
13	T	84.8	Confident	81	Confident	81 Å²	81	83.3 Å²	83.3	50%	0.497	44%	0.441	S	S	.	.	H	α-helix	trans	-70.3	-41	178.1	-57.4	0	0	0	0	110.7	P9 L10 I11 S17	P9-T13 WeakPolarHBondContact O-CB 3.3Å; P9-T13 PolarHBondContact O-N 3.31Å; P9-T13 PolarHBondContact O-OG1 2.78Å; L10-T13 WeakPolarHBondContact O-CB 3.01Å; L10-T13 PolarHBondContact O-N 3.19Å; I11-T13 PolarHBondContact O-N 2.71Å; T13-S17 PolarHBondContact O-N 2.81Å; T13-S17 PolarHBondContact O-OG 2.95Å
14	V	82.5	Confident	82.1	Confident	41 Å²	41	82 Å²	82	25%	0.248	43%	0.433	C	S	.	.	H	α-helix	trans	-68.3	-41.4	175.2	177.8	0	0	0	0	110.9	L10 I11 R16 S17 M21 F24 Y32	L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 3.38Å; I11-V14 PolarHBondContact O-N 2.8Å; I11-V14 VanDerWaalsContact O-N 3.15Å; V14-R16 VanDerWaalsContact C-N 3.29Å; V14-R16 PolarHBondContact O-N 2.98Å; V14-S17 CarbonylContact O-C 3.43Å; V14-S17 WeakPolarHBondContact O-CA 3.39Å; V14-S17 WeakPolarHBondContact O-CB 3.48Å; V14-S17 PolarHBondContact O-N 2.9Å; V14-M21 HydrophobicContact CG1-CG 4.39Å; V14-F24 HydrophobicContact CG1-CE2 4.45Å; V14-Y32 HydrophobicContact CB-CD2 3.9Å; V14-Y32 HydrophobicContact CB-CE2 3.73Å; V14-Y32 HydrophobicContact CG1-CD2 3.54Å; V14-Y32 HydrophobicContact CG1-CE2 3.49Å; V14-Y32 VanDerWaalsContact CG1-CE2 3.49Å; V14-Y32 HydrophobicContact CG1-CG 4.24Å; V14-Y32 HydrophobicContact CG2-CD2 4.3Å
15	D	82.9	Confident	83.1	Confident	69 Å²	69	83.9 Å²	83.9	37%	0.369	45%	0.449	S	S	.	.	H	α-helix	trans	-59.8	-38.6	177.8	-65.8	-7.3	0	0	0	112	I11 S17 Y32	I11-D15 PolarHBondContact O-N 2.77Å; D15-S17 PolarHBondContact O-N 2.96Å; D15-Y32 PolarHBondContact OD1-OH 3.05Å
16	R	85.6	Confident	84	Confident	207 Å²	207	84.9 Å²	84.9	78%	0.781	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-15.1	175.3	-71.6	173.1	-174.6	178.5	2.7	113.7	Q12 V14	Q12-R16 VanDerWaalsContact O-CG 3.26Å; Q12-R16 WeakPolarHBondContact O-CG 3.39Å; Q12-R16 PolarHBondContact O-N 2.83Å; Q12-R16 VanDerWaalsContact O-N 3.15Å; V14-R16 VanDerWaalsContact C-N 3.29Å; V14-R16 PolarHBondContact O-N 2.98Å
17	S	82.7	Confident	84.9	Confident	39 Å²	39	82.7 Å²	82.7	27%	0.273	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	37.1	-178.3	-54.1	0	0	0	0	110.5	T13 V14 D15 D19 L20 M21	T13-S17 PolarHBondContact O-N 2.81Å; T13-S17 PolarHBondContact O-OG 2.95Å; V14-S17 CarbonylContact O-C 3.43Å; V14-S17 WeakPolarHBondContact O-CA 3.39Å; V14-S17 WeakPolarHBondContact O-CB 3.48Å; V14-S17 PolarHBondContact O-N 2.9Å; D15-S17 PolarHBondContact O-N 2.96Å; S17-D19 PolarHBondContact O-N 3.08Å; S17-L20 WeakPolarHBondContact O-CA 3.49Å; S17-L20 WeakPolarHBondContact O-CB 3.29Å; S17-L20 PolarHBondContact O-N 2.94Å; S17-M21 PolarHBondContact O-N 3.16Å
18	E	75.2	Confident	85.4	Confident	136 Å²	136	85.3 Å²	85.3	64%	0.636	46%	0.462	S	S	*	.	H	α-helix	trans	-52	-40.4	-174	-121.3	177.2	-177.9	0	0	112.3	L20 M21	E18-L20 PolarHBondContact O-N 3.44Å; E18-L20 VanDerWaalsContact O-N 3.17Å; E18-M21 HydrophobicContact CG-CE 3.65Å; E18-M21 WeakPolarHBondContact O-CB 3.31Å; E18-M21 PolarHBondContact O-N 3.38Å
19	D	78.7	Confident	85.8	Confident	160 Å²	160	86 Å²	86	86%	0.856	46%	0.462	S	S	*	.	H	α-helix	trans	-60.1	-26.4	177	-59.6	-33.1	0	0	0	113.7	S17	S17-D19 PolarHBondContact O-N 3.08Å
20	L	80.8	Confident	86.3	Confident	91 Å²	91	83.8 Å²	83.8	48%	0.476	45%	0.448	S	S	.	.	H	α-helix	trans	-88.3	-16.4	177.7	-66.3	172.6	0	0	0	112.3	S17 E18 D22 S23 F24	S17-L20 WeakPolarHBondContact O-CA 3.49Å; S17-L20 WeakPolarHBondContact O-CB 3.29Å; S17-L20 PolarHBondContact O-N 2.94Å; E18-L20 PolarHBondContact O-N 3.44Å; E18-L20 VanDerWaalsContact O-N 3.17Å; L20-D22 PolarHBondContact O-N 2.93Å; L20-S23 WeakPolarHBondContact O-CB 3.47Å; L20-S23 PolarHBondContact O-N 3.37Å; L20-S23 PolarHBondContact O-OG 3.41Å; L20-F24 HydrophobicContact CB-CE1 4.28Å; L20-F24 HydrophobicContact CB-CE2 4.18Å; L20-F24 HydrophobicContact CB-CZ 3.75Å; L20-F24 PolarHBondContact O-N 3.08Å
21	M	80	Confident	86.8	Confident	52 Å²	52	81.9 Å²	81.9	26%	0.256	44%	0.441	S	S	.	.	H	α-helix	trans	-58.2	-39.4	-177.2	-78.9	-148.9	-68.5	0	0	112.1	V14 S17 E18 S23 F24 K29 Y32	V14-M21 HydrophobicContact CG1-CG 4.39Å; S17-M21 PolarHBondContact O-N 3.16Å; E18-M21 HydrophobicContact CG-CE 3.65Å; E18-M21 WeakPolarHBondContact O-CB 3.31Å; E18-M21 PolarHBondContact O-N 3.38Å; M21-S23 VanDerWaalsContact C-N 3.26Å; M21-S23 PolarHBondContact O-N 3.23Å; M21-F24 PolarHBondContact O-N 3.45Å; M21-K29 WeakPolarHBondContact O-CE 3.47Å; M21-K29 PolarHBondContact O-NZ 3.36Å; M21-Y32 HydrophobicContact SD-CE1 4.25Å
22	D	82.5	Confident	87.2	Confident	143 Å²	143	83.7 Å²	83.7	77%	0.765	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-29.9	-179.7	-76.1	-26.8	0	0	0	112.8	L20 F24 K29	L20-D22 PolarHBondContact O-N 2.93Å; D22-F24 VanDerWaalsContact C-N 3.34Å; D22-F24 PolarHBondContact O-N 2.95Å; D22-K29 PolarHBondContact O-NZ 2.96Å
23	S	88.3	Confident	87.6	Confident	89 Å²	89	80.3 Å²	80.3	62%	0.622	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-20.5	177.8	77.6	0	0	0	0	114.2	L20 M21	L20-S23 WeakPolarHBondContact O-CB 3.47Å; L20-S23 PolarHBondContact O-N 3.37Å; L20-S23 PolarHBondContact O-OG 3.41Å; M21-S23 VanDerWaalsContact C-N 3.26Å; M21-S23 PolarHBondContact O-N 3.23Å
24	F	89.3	Confident	88.2	Confident	78 Å²	78	78.1 Å²	78.1	34%	0.342	42%	0.415	S	S	.	.	S	Bend	trans	-73.7	151.7	-176.2	-63.1	-37.6	0	0	0	113.2	V14 L20 M21 D22 D28 K29	V14-F24 HydrophobicContact CG1-CE2 4.45Å; L20-F24 HydrophobicContact CB-CE1 4.28Å; L20-F24 HydrophobicContact CB-CE2 4.18Å; L20-F24 HydrophobicContact CB-CZ 3.75Å; L20-F24 PolarHBondContact O-N 3.08Å; M21-F24 PolarHBondContact O-N 3.45Å; D22-F24 VanDerWaalsContact C-N 3.34Å; D22-F24 PolarHBondContact O-N 2.95Å; F24-D28 HydrophobicContact CB-CB 4.03Å; F24-K29 VanDerWaalsContact O-CE 3.24Å; F24-K29 WeakPolarHBondContact O-CE 3.46Å
25	S	93.7	Very high	88.7	Confident	55 Å²	55	79.4 Å²	79.4	39%	0.385	42%	0.418	S	S	.	.			trans	-66.5	159.7	178.3	79.5	0	0	0	0	111.4	A27 D28 K29	S25-A27 PolarHBondContact O-N 2.82Å; S25-A27 PolarHBondContact OG-N 3.1Å; S25-D28 WeakPolarHBondContact CB-OD2 3.27Å; S25-D28 PolarHBondContact N-OD2 3.38Å; S25-D28 PolarHBondContact O-N 3.15Å; S25-D28 VanDerWaalsContact O-N 3.17Å; S25-D28 PolarHBondContact OG-N 3.29Å; S25-D28 PolarHBondContact OG-OD2 3.43Å; S25-K29 WeakPolarHBondContact O-CG 3.18Å; S25-K29 PolarHBondContact O-N 2.97Å
26	V	92.7	Very high	89.3	Confident	80 Å²	80	77 Å²	77	49%	0.485	41%	0.406	S	S	.	.	H	α-helix	trans	-59	-33.7	173.7	179.2	0	0	0	0	111.2	K29 V30 N59	V26-K29 PolarHBondContact O-N 3.17Å; V26-V30 HydrophobicContact CG1-CG2 4.31Å; V26-V30 WeakPolarHBondContact O-CB 3.41Å; V26-V30 VanDerWaalsContact O-CG2 3.25Å; V26-V30 WeakPolarHBondContact O-CG2 3.49Å; V26-V30 PolarHBondContact O-N 3.33Å; V26-N59 HydrophobicContact CG1-CB 3.94Å
27	A	94	Very high	89.8	Confident	65 Å²	65	67.2 Å²	67.2	54%	0.537	37%	0.369	S	S	.	.	H	α-helix	trans	-65.4	-41.1	178.2	0	0	0	0	0	112	S25 V30 T31	S25-A27 PolarHBondContact O-N 2.82Å; S25-A27 PolarHBondContact OG-N 3.1Å; A27-V30 PolarHBondContact O-N 3.03Å; A27-T31 PolarHBondContact O-N 3.04Å; A27-T31 PolarHBondContact O-OG1 3.18Å
28	D	92.8	Very high	90.2	Very high	84 Å²	84	66.5 Å²	66.5	45%	0.449	36%	0.36	S	S	.	.	H	α-helix	trans	-65.1	-45.5	175.3	-57.1	-42.3	0	0	0	110.3	F24 S25 V30 T31 Y32	F24-D28 HydrophobicContact CB-CB 4.03Å; S25-D28 WeakPolarHBondContact CB-OD2 3.27Å; S25-D28 PolarHBondContact N-OD2 3.38Å; S25-D28 PolarHBondContact O-N 3.15Å; S25-D28 VanDerWaalsContact O-N 3.17Å; S25-D28 PolarHBondContact OG-N 3.29Å; S25-D28 PolarHBondContact OG-OD2 3.43Å; D28-V30 VanDerWaalsContact C-N 3.33Å; D28-V30 PolarHBondContact O-N 3.3Å; D28-T31 PolarHBondContact O-N 3.28Å; D28-T31 VanDerWaalsContact O-N 3.15Å; D28-Y32 WeakPolarHBondContact O-CB 3.36Å; D28-Y32 PolarHBondContact O-N 2.8Å
29	K	94.1	Very high	91	Very high	50 Å²	50	63 Å²	63	22%	0.217	34%	0.343	C	S	.	.	H	α-helix	trans	-60.1	-40.7	176.6	-67.3	176.8	-177.1	-179.9	0	112.2	M21 D22 F24 S25 V26 N33 Y55	M21-K29 WeakPolarHBondContact O-CE 3.47Å; M21-K29 PolarHBondContact O-NZ 3.36Å; D22-K29 PolarHBondContact O-NZ 2.96Å; F24-K29 VanDerWaalsContact O-CE 3.24Å; F24-K29 WeakPolarHBondContact O-CE 3.46Å; S25-K29 WeakPolarHBondContact O-CG 3.18Å; S25-K29 PolarHBondContact O-N 2.97Å; V26-K29 PolarHBondContact O-N 3.17Å; K29-N33 VanDerWaalsContact O-CB 3.3Å; K29-N33 WeakPolarHBondContact O-CB 3.48Å; K29-N33 PolarHBondContact O-N 2.96Å; K29-N33 PolarHBondContact O-ND2 3.45Å; K29-Y55 HydrophobicContact CB-CE1 3.95Å
30	V	96.4	Very high	91.7	Very high	16 Å²	16	55.7 Å²	55.7	10%	0.097	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-45.6	175.3	166.3	0	0	0	0	110.6	V26 A27 D28 Y34 A56 N59 C60	V26-V30 HydrophobicContact CG1-CG2 4.31Å; V26-V30 WeakPolarHBondContact O-CB 3.41Å; V26-V30 VanDerWaalsContact O-CG2 3.25Å; V26-V30 WeakPolarHBondContact O-CG2 3.49Å; V26-V30 PolarHBondContact O-N 3.33Å; A27-V30 PolarHBondContact O-N 3.03Å; D28-V30 VanDerWaalsContact C-N 3.33Å; D28-V30 PolarHBondContact O-N 3.3Å; V30-Y34 WeakPolarHBondContact O-CB 3.28Å; V30-Y34 PolarHBondContact O-N 3.41Å; V30-A56 HydrophobicContact CG1-CB 4.33Å; V30-N59 HydrophobicContact CG2-CB 3.58Å; V30-C60 HydrophobicContact CG1-CB 4.19Å
31	T	94.4	Very high	92.2	Very high	74 Å²	74	51.4 Å²	51.4	45%	0.454	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-48.5	-179.4	-57.6	0	0	0	0	111.2	A27 D28 Y34 F35	A27-T31 PolarHBondContact O-N 3.04Å; A27-T31 PolarHBondContact O-OG1 3.18Å; D28-T31 PolarHBondContact O-N 3.28Å; D28-T31 VanDerWaalsContact O-N 3.15Å; T31-Y34 WeakPolarHBondContact O-CB 3.49Å; T31-Y34 PolarHBondContact O-N 3.16Å; T31-F35 HydrophobicContact CG2-CD2 3.94Å; T31-F35 HydrophobicContact CG2-CE2 3.62Å; T31-F35 WeakPolarHBondContact O-CD2 3.26Å; T31-F35 PolarHBondContact O-N 3.44Å; T31-F35 VanDerWaalsContact O-N 3.16Å
32	Y	93.7	Very high	92.6	Very high	51 Å²	51	54.3 Å²	54.3	20%	0.2	29%	0.291	C	S	.	.	H	α-helix	trans	-58.2	-51.9	176.4	166.9	-97.8	0	0	0	111.5	I11 V14 D15 M21 D28 Y34 F35 V36	I11-Y32 HydrophobicContact CG2-CE2 4.33Å; V14-Y32 HydrophobicContact CB-CD2 3.9Å; V14-Y32 HydrophobicContact CB-CE2 3.73Å; V14-Y32 HydrophobicContact CG1-CD2 3.54Å; V14-Y32 HydrophobicContact CG1-CE2 3.49Å; V14-Y32 VanDerWaalsContact CG1-CE2 3.49Å; V14-Y32 HydrophobicContact CG1-CG 4.24Å; V14-Y32 HydrophobicContact CG2-CD2 4.3Å; D15-Y32 PolarHBondContact OD1-OH 3.05Å; M21-Y32 HydrophobicContact SD-CE1 4.25Å; D28-Y32 WeakPolarHBondContact O-CB 3.36Å; D28-Y32 PolarHBondContact O-N 2.8Å; Y32-Y34 VanDerWaalsContact C-N 3.28Å; Y32-Y34 PolarHBondContact O-N 2.9Å; Y32-F35 PolarHBondContact O-N 3.42Å; Y32-F35 VanDerWaalsContact O-N 3.12Å; Y32-V36 HydrophobicContact CD1-CG2 4.21Å; Y32-V36 HydrophobicContact CD2-CG2 3.88Å; Y32-V36 HydrophobicContact CE1-CG2 3.82Å; Y32-V36 HydrophobicContact CE2-CG2 3.48Å; Y32-V36 VanDerWaalsContact CE2-CG2 3.48Å; Y32-V36 HydrophobicContact CG-CG2 4.23Å; Y32-V36 VanDerWaalsContact CZ-CG2 3.43Å; Y32-V36 VanDerWaalsContact O-CG2 3.24Å; Y32-V36 WeakPolarHBondContact O-CG2 3.22Å; Y32-V36 PolarHBondContact O-N 3.19Å
33	N	95.6	Very high	93	Very high	26 Å²	26	50.7 Å²	50.7	14%	0.139	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-34.9	179.1	-85.9	-85.9	0	0	0	112.5	K29 G37 C52 Y55 A56	K29-N33 VanDerWaalsContact O-CB 3.3Å; K29-N33 WeakPolarHBondContact O-CB 3.48Å; K29-N33 PolarHBondContact O-N 2.96Å; K29-N33 PolarHBondContact O-ND2 3.45Å; N33-G37 PolarHBondContact O-N 3.09Å; N33-C52 HydrophobicContact CB-CB 4.28Å; N33-C52 WeakPolarHBondContact O-CB 3.48Å; N33-C52 PolarHBondContact OD1-SG 2.87Å; N33-Y55 HydrophobicContact CB-CD1 3.85Å; N33-Y55 WeakPolarHBondContact ND2-CD1 3.4Å; N33-A56 HydrophobicContact CB-CB 4.27Å
34	Y	96	Very high	93.1	Very high	35 Å²	35	47.2 Å²	47.2	14%	0.137	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-46.5	174.2	167.6	-106.2	0	0	0	111.9	V30 T31 Y32 R38 L53 I70 I71	V30-Y34 WeakPolarHBondContact O-CB 3.28Å; V30-Y34 PolarHBondContact O-N 3.41Å; T31-Y34 WeakPolarHBondContact O-CB 3.49Å; T31-Y34 PolarHBondContact O-N 3.16Å; Y32-Y34 VanDerWaalsContact C-N 3.28Å; Y32-Y34 PolarHBondContact O-N 2.9Å; Y34-R38 HydrophobicContact CD2-CG 4.38Å; Y34-R38 VanDerWaalsContact CE2-CD 3.43Å; Y34-R38 HydrophobicContact CE2-CG 4.04Å; Y34-R38 WeakPolarHBondContact O-CG 3.5Å; Y34-R38 PolarHBondContact O-N 3.11Å; Y34-R38 VanDerWaalsContact OH-CD 3.26Å; Y34-R38 WeakPolarHBondContact OH-CD 3.32Å; Y34-L53 HydrophobicContact CD2-CD2 4.17Å; Y34-I70 HydrophobicContact CE2-CG2 3.91Å; Y34-I70 WeakPolarHBondContact OH-CG2 2.99Å; Y34-I71 HydrophobicContact CD2-CG1 3.82Å; Y34-I71 HydrophobicContact CE2-CG1 4.31Å
35	F	94.2	Very high	93.3	Very high	68 Å²	68	45.4 Å²	45.4	30%	0.298	24%	0.241	S	C	.	.	H	α-helix	trans	-71.3	-42.2	179.8	-73.2	-64.9	0	0	0	112.9	V7 I11 T31 Y32 G37 R38 K39	V7-F35 HydrophobicContact CG1-CB 4Å; V7-F35 HydrophobicContact CG1-CD1 4.01Å; V7-F35 HydrophobicContact CG1-CG 4.16Å; I11-F35 HydrophobicContact CD1-CB 4.36Å; T31-F35 HydrophobicContact CG2-CD2 3.94Å; T31-F35 HydrophobicContact CG2-CE2 3.62Å; T31-F35 WeakPolarHBondContact O-CD2 3.26Å; T31-F35 PolarHBondContact O-N 3.44Å; T31-F35 VanDerWaalsContact O-N 3.16Å; Y32-F35 PolarHBondContact O-N 3.42Å; Y32-F35 VanDerWaalsContact O-N 3.12Å; F35-G37 VanDerWaalsContact C-N 3.32Å; F35-G37 PolarHBondContact O-N 3.37Å; F35-R38 PolarHBondContact O-N 2.87Å; F35-K39 PolarHBondContact O-N 3.09Å
36	V	94.3	Very high	93.3	Very high	19 Å²	19	43.7 Å²	43.7	12%	0.115	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-45.4	174.5	176.3	0	0	0	0	110.2	I11 Y32 R38 K39 A40 V48	I11-V36 HydrophobicContact CD1-CG2 4.23Å; I11-V36 HydrophobicContact CG1-CG2 4.11Å; I11-V36 HydrophobicContact CG2-CG2 3.79Å; Y32-V36 HydrophobicContact CD1-CG2 4.21Å; Y32-V36 HydrophobicContact CD2-CG2 3.88Å; Y32-V36 HydrophobicContact CE1-CG2 3.82Å; Y32-V36 HydrophobicContact CE2-CG2 3.48Å; Y32-V36 VanDerWaalsContact CE2-CG2 3.48Å; Y32-V36 HydrophobicContact CG-CG2 4.23Å; Y32-V36 VanDerWaalsContact CZ-CG2 3.43Å; Y32-V36 VanDerWaalsContact O-CG2 3.24Å; Y32-V36 WeakPolarHBondContact O-CG2 3.22Å; Y32-V36 PolarHBondContact O-N 3.19Å; V36-R38 PolarHBondContact O-N 3.4Å; V36-K39 WeakPolarHBondContact O-CB 3.45Å; V36-K39 PolarHBondContact O-N 2.84Å; V36-A40 WeakPolarHBondContact O-CB 3.45Å; V36-A40 PolarHBondContact O-N 3.32Å; V36-V48 HydrophobicContact CG1-CG1 4.42Å
37	G	95.5	Very high	93.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-39.6	178	0	0	0	0	0	113.3	N33 F35 A40 L41	N33-G37 PolarHBondContact O-N 3.09Å; F35-G37 VanDerWaalsContact C-N 3.32Å; F35-G37 PolarHBondContact O-N 3.37Å; G37-A40 PolarHBondContact O-N 3.37Å; G37-L41 WeakPolarHBondContact O-CB 3.28Å; G37-L41 PolarHBondContact O-N 3.45Å
38	R	93	Very high	93.5	Very high	25 Å²	25	46.1 Å²	46.1	9%	0.094	23%	0.225	C	C	.	.	H	α-helix	trans	-68.1	-37.1	174	-73.6	-179	67.1	-140.8	3	112.6	W4 Y34 F35 V36 L41 Y42 L53 H74	W4-R38 HydrophobicContact CH2-CB 3.56Å; W4-R38 HydrophobicContact CZ2-CB 4.26Å; Y34-R38 HydrophobicContact CD2-CG 4.38Å; Y34-R38 VanDerWaalsContact CE2-CD 3.43Å; Y34-R38 HydrophobicContact CE2-CG 4.04Å; Y34-R38 WeakPolarHBondContact O-CG 3.5Å; Y34-R38 PolarHBondContact O-N 3.11Å; Y34-R38 VanDerWaalsContact OH-CD 3.26Å; Y34-R38 WeakPolarHBondContact OH-CD 3.32Å; F35-R38 PolarHBondContact O-N 2.87Å; V36-R38 PolarHBondContact O-N 3.4Å; R38-L41 PolarHBondContact O-N 3.46Å; R38-Y42 PolarHBondContact O-N 3.23Å; R38-Y42 VanDerWaalsContact O-N 3.09Å; R38-L53 HydrophobicContact CG-CD2 4.49Å; R38-H74 HydrophobicContact CG-CB 4.48Å; R38-H74 PolarHBondContact NE-NE2 2.96Å
39	K	92	Very high	93.7	Very high	63 Å²	63	42.1 Å²	42.1	27%	0.274	20%	0.204	S	C	.	.	H	α-helix	trans	-62.9	-49.6	173.6	179.4	-159.8	173.2	-73.3	0	109.9	W4 V8 I11 F35 V36 L41 Y42 D43	W4-K39 HydrophobicContact CE3-CB 4.31Å; W4-K39 HydrophobicContact CH2-CB 4.08Å; W4-K39 HydrophobicContact CZ3-CB 3.83Å; V8-K39 HydrophobicContact CG2-CD 4.31Å; I11-K39 HydrophobicContact CD1-CB 4.21Å; I11-K39 HydrophobicContact CD1-CD 4.08Å; F35-K39 PolarHBondContact O-N 3.09Å; V36-K39 WeakPolarHBondContact O-CB 3.45Å; V36-K39 PolarHBondContact O-N 2.84Å; K39-L41 VanDerWaalsContact C-N 3.27Å; K39-L41 PolarHBondContact O-N 3.33Å; K39-Y42 WeakPolarHBondContact O-CA 3.43Å; K39-Y42 VanDerWaalsContact O-CB 3.29Å; K39-Y42 WeakPolarHBondContact O-CB 3.45Å; K39-Y42 PolarHBondContact O-N 3.49Å; K39-D43 IonicContact NZ-OD2 2.69Å; K39-D43 PolarHBondContact NZ-OD2 3.3Å; K39-D43 PolarHBondContact O-N 2.99Å
40	A	92.9	Very high	93.8	Very high	5 Å²	5	40.4 Å²	40.4	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-58.3	-39.6	177.8	0	0	0	0	0	112	V36 G37 Y42 D43 C44 D45 V48 A49	V36-A40 WeakPolarHBondContact O-CB 3.45Å; V36-A40 PolarHBondContact O-N 3.32Å; G37-A40 PolarHBondContact O-N 3.37Å; A40-Y42 VanDerWaalsContact C-N 3.32Å; A40-Y42 PolarHBondContact O-N 3.18Å; A40-D43 CarbonylContact O-C 3.55Å; A40-D43 PolarHBondContact O-N 2.76Å; A40-C44 PolarHBondContact O-N 3.33Å; A40-D45 HydrophobicContact CB-CB 4.28Å; A40-D45 PolarHBondContact O-N 3.39Å; A40-V48 HydrophobicContact CB-CB 3.93Å; A40-V48 HydrophobicContact CB-CG1 3.79Å; A40-A49 HydrophobicContact CB-CB 3.85Å
41	L	91.1	Very high	93.9	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-37.2	173.1	176.6	55.3	0	0	0	112.6	G37 R38 K39 C44 F46 A49 H74 V78 F132	G37-L41 WeakPolarHBondContact O-CB 3.28Å; G37-L41 PolarHBondContact O-N 3.45Å; R38-L41 PolarHBondContact O-N 3.46Å; K39-L41 VanDerWaalsContact C-N 3.27Å; K39-L41 PolarHBondContact O-N 3.33Å; L41-C44 PolarHBondContact O-N 3.14Å; L41-F46 HydrophobicContact CD1-CD1 4.04Å; L41-F46 HydrophobicContact CD1-CE1 3.62Å; L41-A49 HydrophobicContact CB-CB 4.13Å; L41-H74 HydrophobicContact CD2-CB 4.13Å; L41-V78 HydrophobicContact CB-CG2 4.24Å; L41-V78 HydrophobicContact CD1-CG2 3.48Å; L41-V78 VanDerWaalsContact CD1-CG2 3.48Å; L41-V78 HydrophobicContact CD2-CG2 3.96Å; L41-V78 HydrophobicContact CG-CG2 4.07Å; L41-F132 HydrophobicContact CD1-CB 4.17Å; L41-F132 HydrophobicContact CD1-CD1 4Å; L41-F132 HydrophobicContact CD1-CD2 4.5Å; L41-F132 HydrophobicContact CD1-CG 3.96Å; L41-F132 HydrophobicContact CD2-CB 4.32Å; L41-F132 HydrophobicContact CD2-CD1 4.27Å; L41-F132 HydrophobicContact CD2-CD2 3.4Å; L41-F132 VanDerWaalsContact CD2-CD2 3.4Å; L41-F132 HydrophobicContact CD2-CE2 3.68Å; L41-F132 HydrophobicContact CD2-CG 3.73Å; L41-F132 HydrophobicContact CD2-CZ 4.23Å; L41-F132 HydrophobicContact CG-CB 4.36Å; L41-F132 HydrophobicContact CG-CD1 3.7Å; L41-F132 HydrophobicContact CG-CD2 3.78Å; L41-F132 HydrophobicContact CG-CE1 3.87Å; L41-F132 HydrophobicContact CG-CE2 3.93Å; L41-F132 HydrophobicContact CG-CG 3.66Å; L41-F132 HydrophobicContact CG-CZ 3.97Å
42	Y	88.8	Confident	94.1	Very high	114 Å²	114	44.6 Å²	44.6	45%	0.447	21%	0.209	S	C	.	.	H	α-helix	trans	-64.8	-43	172.7	-178.2	-94.9	0	0	0	112.3	W4 R38 K39 A40 C44 F132	W4-Y42 AromaticContact NE1-CD2 3.61Å; W4-Y42 AromaticContact NE1-CG 3.57Å; R38-Y42 PolarHBondContact O-N 3.23Å; R38-Y42 VanDerWaalsContact O-N 3.09Å; K39-Y42 WeakPolarHBondContact O-CA 3.43Å; K39-Y42 VanDerWaalsContact O-CB 3.29Å; K39-Y42 WeakPolarHBondContact O-CB 3.45Å; K39-Y42 PolarHBondContact O-N 3.49Å; A40-Y42 VanDerWaalsContact C-N 3.32Å; A40-Y42 PolarHBondContact O-N 3.18Å; Y42-C44 PolarHBondContact O-N 3.43Å; Y42-F132 HydrophobicContact CD2-CE1 4.5Å
43	D	90.3	Very high	94.3	Very high	66 Å²	66	42.1 Å²	42.1	35%	0.353	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	3.1	177.1	-59.4	-26.3	0	0	0	113.3	K39 A40 D45	K39-D43 IonicContact NZ-OD2 2.69Å; K39-D43 PolarHBondContact NZ-OD2 3.3Å; K39-D43 PolarHBondContact O-N 2.99Å; A40-D43 CarbonylContact O-C 3.55Å; A40-D43 PolarHBondContact O-N 2.76Å; D43-D45 PolarHBondContact O-N 2.96Å
44	C	90.7	Very high	94.4	Very high	16 Å²	16	42.7 Å²	42.7	11%	0.108	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	25.5	-175.3	-54.3	0	0	0	0	113.3	A40 L41 Y42 F46 W219 R220	A40-C44 PolarHBondContact O-N 3.33Å; L41-C44 PolarHBondContact O-N 3.14Å; Y42-C44 PolarHBondContact O-N 3.43Å; C44-F46 HydrophobicContact CB-CE1 4.38Å; C44-F46 HydrophobicContact CB-CZ 4.06Å; C44-F46 PolarHBondContact O-N 3.06Å; C44-W219 HydrophobicContact CB-CB 4.48Å; C44-R220 HydrophobicContact CB-CG 4.38Å
45	D	93.2	Very high	94.5	Very high	41 Å²	41	44.8 Å²	44.8	22%	0.219	21%	0.213	C	C	.	.			trans	-86.6	81.1	170.3	-164.7	-39.8	0	0	0	109.5	A40 D43 E47 V48 A49 R220	A40-D45 HydrophobicContact CB-CB 4.28Å; A40-D45 PolarHBondContact O-N 3.39Å; D43-D45 PolarHBondContact O-N 2.96Å; D45-E47 PolarHBondContact O-N 3.44Å; D45-E47 PolarHBondContact OD1-N 2.85Å; D45-V48 WeakPolarHBondContact OD1-CG2 3.44Å; D45-V48 PolarHBondContact OD1-N 3.27Å; D45-V48 VanDerWaalsContact OD1-N 3.09Å; D45-A49 WeakPolarHBondContact O-CB 3.47Å; D45-A49 PolarHBondContact O-N 2.95Å; D45-R220 IonicContact OD2-NH2 2.95Å; D45-R220 PolarHBondContact OD2-NH2 3.06Å
46	F	94.3	Very high	94.7	Very high	19 Å²	19	41.5 Å²	41.5	8%	0.083	20%	0.199	C	C	.	.	H	α-helix	trans	-73.1	-18.1	-174.1	-57.6	-43.9	0	0	0	113.7	L41 C44 D50 V78 Y81 R82 W219	L41-F46 HydrophobicContact CD1-CD1 4.04Å; L41-F46 HydrophobicContact CD1-CE1 3.62Å; C44-F46 HydrophobicContact CB-CE1 4.38Å; C44-F46 HydrophobicContact CB-CZ 4.06Å; C44-F46 PolarHBondContact O-N 3.06Å; F46-D50 WeakPolarHBondContact O-CB 3.21Å; F46-D50 PolarHBondContact O-N 3.36Å; F46-V78 HydrophobicContact CB-CG1 4.4Å; F46-Y81 HydrophobicContact CD1-CD2 4.17Å; F46-Y81 HydrophobicContact CD1-CG 4.38Å; F46-Y81 VanDerWaalsContact CD2-CB 3.47Å; F46-Y81 HydrophobicContact CD2-CD1 4.3Å; F46-Y81 HydrophobicContact CD2-CD2 4.42Å; F46-Y81 AromaticContact CD2-CG 3.85Å; F46-Y81 HydrophobicContact CD2-CG 3.85Å; F46-Y81 AromaticContact CE1-CD2 3.62Å; F46-Y81 HydrophobicContact CE1-CD2 3.62Å; F46-Y81 HydrophobicContact CE1-CE2 4.05Å; F46-Y81 AromaticContact CE1-CG 4Å; F46-Y81 HydrophobicContact CE1-CG 4Å; F46-Y81 AromaticContact CE2-CD1 3.47Å; F46-Y81 HydrophobicContact CE2-CD1 3.47Å; F46-Y81 VanDerWaalsContact CE2-CD1 3.47Å; F46-Y81 AromaticContact CE2-CD2 3.83Å; F46-Y81 HydrophobicContact CE2-CD2 3.83Å; F46-Y81 HydrophobicContact CE2-CE1 4.11Å; F46-Y81 HydrophobicContact CE2-CE2 4.45Å; F46-Y81 AromaticContact CE2-CG 3.32Å; F46-Y81 HydrophobicContact CE2-CG 3.32Å; F46-Y81 HydrophobicContact CG-CG 4.34Å; F46-Y81 AromaticContact CZ-CD1 3.72Å; F46-Y81 HydrophobicContact CZ-CD1 3.72Å; F46-Y81 AromaticContact CZ-CD2 3.43Å; F46-Y81 HydrophobicContact CZ-CD2 3.43Å; F46-Y81 VanDerWaalsContact CZ-CD2 3.43Å; F46-Y81 AromaticContact CZ-CE1 3.99Å; F46-Y81 HydrophobicContact CZ-CE1 3.99Å; F46-Y81 AromaticContact CZ-CE2 3.75Å; F46-Y81 HydrophobicContact CZ-CE2 3.75Å; F46-Y81 AromaticContact CZ-CG 3.44Å; F46-Y81 HydrophobicContact CZ-CG 3.44Å; F46-Y81 VanDerWaalsContact CZ-CG 3.44Å; F46-R82 HydrophobicContact CB-CG 4.15Å; F46-W219 HydrophobicContact CD2-CB 4.28Å; F46-W219 AromaticContact CD2-CD1 3.64Å; F46-W219 HydrophobicContact CD2-CG 4.2Å; F46-W219 HydrophobicContact CE2-CB 3.42Å; F46-W219 VanDerWaalsContact CE2-CB 3.42Å; F46-W219 AromaticContact CE2-CD1 3.37Å; F46-W219 AromaticContact CE2-CG 3.49Å; F46-W219 HydrophobicContact CE2-CG 3.49Å; F46-W219 VanDerWaalsContact CE2-CG 3.49Å; F46-W219 HydrophobicContact CZ-CB 4.11Å; F46-W219 HydrophobicContact CZ-CG 4.47Å
47	E	94.8	Very high	94.9	Very high	137 Å²	137	42.2 Å²	42.2	64%	0.64	20%	0.2	S	C	*	.	H	α-helix	trans	-70.6	-52.5	174.8	-176.4	169.1	-161.5	0	0	110.9	D45 D50 K51	D45-E47 PolarHBondContact O-N 3.44Å; D45-E47 PolarHBondContact OD1-N 2.85Å; E47-D50 PolarHBondContact O-N 3.08Å; E47-K51 PolarHBondContact O-N 2.98Å; E47-K51 VanDerWaalsContact O-N 3.1Å
48	V	95.6	Very high	95	Very high	59 Å²	59	50.2 Å²	50.2	36%	0.358	24%	0.235	S	C	.	.	H	α-helix	trans	-64.8	-42.8	175.8	177	0	0	0	0	110.6	V36 A40 D45 D50 K51 C52	V36-V48 HydrophobicContact CG1-CG1 4.42Å; A40-V48 HydrophobicContact CB-CB 3.93Å; A40-V48 HydrophobicContact CB-CG1 3.79Å; D45-V48 WeakPolarHBondContact OD1-CG2 3.44Å; D45-V48 PolarHBondContact OD1-N 3.27Å; D45-V48 VanDerWaalsContact OD1-N 3.09Å; V48-D50 VanDerWaalsContact C-N 3.31Å; V48-D50 PolarHBondContact O-N 3.46Å; V48-K51 PolarHBondContact O-N 3.24Å; V48-C52 WeakPolarHBondContact O-CB 3.42Å; V48-C52 PolarHBondContact O-N 3.45Å
49	A	96.6	Very high	95.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.6	-43.5	178.4	0	0	0	0	0	111.7	A40 L41 D45 L53 V78	A40-A49 HydrophobicContact CB-CB 3.85Å; L41-A49 HydrophobicContact CB-CB 4.13Å; D45-A49 WeakPolarHBondContact O-CB 3.47Å; D45-A49 PolarHBondContact O-N 2.95Å; A49-L53 VanDerWaalsContact O-CB 3.22Å; A49-L53 WeakPolarHBondContact O-CB 3.44Å; A49-L53 VanDerWaalsContact O-CG 3.28Å; A49-L53 WeakPolarHBondContact O-CG 3.44Å; A49-L53 PolarHBondContact O-N 3.26Å; A49-V78 HydrophobicContact CB-CG1 4.01Å; A49-V78 HydrophobicContact CB-CG2 3.83Å
50	D	97.6	Very high	95.5	Very high	13 Å²	13	48.7 Å²	48.7	7%	0.07	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-49.6	178.8	-174.5	8.6	0	0	0	111	F46 E47 V48 C52 S54 V78 K79 R82	F46-D50 WeakPolarHBondContact O-CB 3.21Å; F46-D50 PolarHBondContact O-N 3.36Å; E47-D50 PolarHBondContact O-N 3.08Å; V48-D50 VanDerWaalsContact C-N 3.31Å; V48-D50 PolarHBondContact O-N 3.46Å; D50-C52 PolarHBondContact O-N 3.03Å; D50-S54 WeakPolarHBondContact O-CB 3.33Å; D50-S54 PolarHBondContact O-N 3.43Å; D50-S54 PolarHBondContact O-OG 2.94Å; D50-S54 PolarHBondContact OD1-OG 3.24Å; D50-V78 HydrophobicContact CB-CG1 3.7Å; D50-K79 WeakPolarHBondContact OD1-CE 3.34Å; D50-K79 IonicContact OD1-NZ 3.4Å; D50-K79 PolarHBondContact OD1-NZ 3.45Å; D50-K79 IonicContact OD2-NZ 2.65Å; D50-K79 PolarHBondContact OD2-NZ 2.84Å; D50-R82 WeakPolarHBondContact OD2-CD 3.18Å; D50-R82 IonicContact OD2-CZ 3.05Å; D50-R82 IonicContact OD2-NE 3.92Å; D50-R82 IonicContact OD2-NH1 3.18Å; D50-R82 PolarHBondContact OD2-NH1 2.83Å
51	K	98	Very high	95.7	Very high	166 Å²	166	51.6 Å²	51.6	72%	0.722	25%	0.251	S	S	*	.	H	α-helix	trans	-55	-51.9	179.7	-178.7	-178.1	174.9	-175.1	0	111.2	E47 V48 Y55	E47-K51 PolarHBondContact O-N 2.98Å; E47-K51 VanDerWaalsContact O-N 3.1Å; V48-K51 PolarHBondContact O-N 3.24Å; K51-Y55 WeakPolarHBondContact O-CB 3.49Å; K51-Y55 PolarHBondContact O-N 3.2Å
52	C	97.8	Very high	95.8	Very high	12 Å²	12	58 Å²	58	8%	0.081	28%	0.281	C	S	.	.	H	α-helix	trans	-70.9	-46	-175.8	-69.2	0	0	0	0	112.7	N33 V48 D50 Y55 A56	N33-C52 HydrophobicContact CB-CB 4.28Å; N33-C52 WeakPolarHBondContact O-CB 3.48Å; N33-C52 PolarHBondContact OD1-SG 2.87Å; V48-C52 WeakPolarHBondContact O-CB 3.42Å; V48-C52 PolarHBondContact O-N 3.45Å; D50-C52 PolarHBondContact O-N 3.03Å; C52-Y55 WeakPolarHBondContact O-CB 3.48Å; C52-Y55 PolarHBondContact O-N 2.93Å; C52-A56 WeakPolarHBondContact O-CB 3.38Å; C52-A56 PolarHBondContact O-N 3.17Å
53	L	98.2	Very high	96.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-69.7	-35.1	179.7	-67.9	171.4	0	0	0	112.1	Y34 R38 A49 A56 F57 I71 H74 L75 V78	Y34-L53 HydrophobicContact CD2-CD2 4.17Å; R38-L53 HydrophobicContact CG-CD2 4.49Å; A49-L53 VanDerWaalsContact O-CB 3.22Å; A49-L53 WeakPolarHBondContact O-CB 3.44Å; A49-L53 VanDerWaalsContact O-CG 3.28Å; A49-L53 WeakPolarHBondContact O-CG 3.44Å; A49-L53 PolarHBondContact O-N 3.26Å; L53-A56 PolarHBondContact O-N 3.14Å; L53-F57 WeakPolarHBondContact O-CB 3.45Å; L53-F57 PolarHBondContact O-N 2.9Å; L53-I71 HydrophobicContact CD2-CG2 4.44Å; L53-I71 WeakPolarHBondContact O-CG2 3.41Å; L53-H74 HydrophobicContact CD1-CB 3.88Å; L53-H74 HydrophobicContact CD2-CB 4.27Å; L53-L75 HydrophobicContact CB-CB 4.13Å; L53-L75 HydrophobicContact CB-CD1 3.77Å; L53-L75 HydrophobicContact CB-CG 4.42Å; L53-V78 HydrophobicContact CD1-CG2 4Å
54	S	98.4	Very high	96.4	Very high	37 Å²	37	62 Å²	62	26%	0.259	30%	0.298	S	S	.	.	H	α-helix	trans	-63.8	-42	172.1	-71.1	0	0	0	0	111.3	D50 F57 K58	D50-S54 WeakPolarHBondContact O-CB 3.33Å; D50-S54 PolarHBondContact O-N 3.43Å; D50-S54 PolarHBondContact O-OG 2.94Å; D50-S54 PolarHBondContact OD1-OG 3.24Å; S54-F57 PolarHBondContact O-N 2.72Å; S54-K58 VanDerWaalsContact O-CB 3.32Å; S54-K58 WeakPolarHBondContact O-CB 3.3Å; S54-K58 PolarHBondContact O-N 3.02Å
55	Y	98.2	Very high	96.7	Very high	79 Å²	79	64.9 Å²	64.9	31%	0.31	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-49	173.4	179.6	-83.4	0	0	0	111.4	K29 N33 K51 C52 F57 K58 N59	K29-Y55 HydrophobicContact CB-CE1 3.95Å; N33-Y55 HydrophobicContact CB-CD1 3.85Å; N33-Y55 WeakPolarHBondContact ND2-CD1 3.4Å; K51-Y55 WeakPolarHBondContact O-CB 3.49Å; K51-Y55 PolarHBondContact O-N 3.2Å; C52-Y55 WeakPolarHBondContact O-CB 3.48Å; C52-Y55 PolarHBondContact O-N 2.93Å; Y55-F57 VanDerWaalsContact C-N 3.33Å; Y55-F57 PolarHBondContact O-N 2.8Å; Y55-K58 PolarHBondContact O-N 3.37Å; Y55-N59 VanDerWaalsContact CD2-ND2 3.32Å; Y55-N59 WeakPolarHBondContact CD2-ND2 3.33Å; Y55-N59 HydrophobicContact CE1-CB 4.33Å; Y55-N59 VanDerWaalsContact CE2-ND2 3.25Å; Y55-N59 WeakPolarHBondContact CE2-ND2 3.45Å; Y55-N59 WeakPolarHBondContact O-CB 3.41Å; Y55-N59 PolarHBondContact O-N 3.35Å; Y55-N59 PolarHBondContact O-ND2 3.21Å
56	A	98.1	Very high	96.8	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.8	-43.5	180	0	0	0	0	0	111.4	V30 N33 C52 L53 C60 I71	V30-A56 HydrophobicContact CG1-CB 4.33Å; N33-A56 HydrophobicContact CB-CB 4.27Å; C52-A56 WeakPolarHBondContact O-CB 3.38Å; C52-A56 PolarHBondContact O-N 3.17Å; L53-A56 PolarHBondContact O-N 3.14Å; A56-C60 WeakPolarHBondContact O-CB 3.38Å; A56-C60 PolarHBondContact O-N 2.91Å; A56-I71 HydrophobicContact CB-CD1 4.09Å; A56-I71 HydrophobicContact CB-CG1 4.49Å; A56-I71 HydrophobicContact CB-CG2 4.22Å
57	F	98.3	Very high	96.8	Very high	33 Å²	33	73.5 Å²	73.5	15%	0.145	35%	0.35	C	S	.	.	H	α-helix	trans	-66.5	-45.5	178.8	180	-108.5	0	0	0	112.4	L53 S54 Y55 N59 R68 I71 L72 L75 Y94	L53-F57 WeakPolarHBondContact O-CB 3.45Å; L53-F57 PolarHBondContact O-N 2.9Å; S54-F57 PolarHBondContact O-N 2.72Å; Y55-F57 VanDerWaalsContact C-N 3.33Å; Y55-F57 PolarHBondContact O-N 2.8Å; F57-N59 VanDerWaalsContact C-N 3.35Å; F57-N59 PolarHBondContact O-N 3.4Å; F57-R68 HydrophobicContact CD2-CB 4.24Å; F57-R68 HydrophobicContact CE2-CB 3.99Å; F57-R68 HydrophobicContact CE2-CG 4.44Å; F57-R68 PolarHBondContact O-NH1 3.15Å; F57-I71 HydrophobicContact CB-CG2 3.76Å; F57-L72 HydrophobicContact CD1-CD2 4.47Å; F57-L72 HydrophobicContact CD2-CD1 4.24Å; F57-L72 HydrophobicContact CD2-CD2 3.9Å; F57-L72 HydrophobicContact CD2-CG 3.67Å; F57-L72 HydrophobicContact CE1-CD2 4.27Å; F57-L72 HydrophobicContact CE2-CD1 3.41Å; F57-L72 VanDerWaalsContact CE2-CD1 3.41Å; F57-L72 HydrophobicContact CE2-CD2 3.68Å; F57-L72 HydrophobicContact CE2-CG 3.36Å; F57-L72 HydrophobicContact CG-CD2 4.28Å; F57-L72 HydrophobicContact CZ-CD1 3.82Å; F57-L72 HydrophobicContact CZ-CD2 3.86Å; F57-L72 HydrophobicContact CZ-CG 3.98Å; F57-L75 HydrophobicContact CB-CD2 4.25Å; F57-Y94 HydrophobicContact CE2-CE1 4.12Å; F57-Y94 HydrophobicContact CE2-CE2 4.18Å; F57-Y94 AromaticContact CE2-CZ 3.82Å; F57-Y94 HydrophobicContact CZ-CE1 4.33Å; F57-Y94 AromaticContact CZ-CE2 3.67Å; F57-Y94 HydrophobicContact CZ-CE2 3.67Å; F57-Y94 AromaticContact CZ-CZ 3.57Å; F57-Y94 WeakPolarHBondContact CZ-OH 3.41Å
58	K	97.9	Very high	97	Very high	169 Å²	169	68 Å²	68	74%	0.735	32%	0.324	S	S	*	.	H	α-helix	trans	-62.3	-41.9	-179.3	-177.6	179.3	176.5	-177.4	0	111.8	S54 Y55	S54-K58 VanDerWaalsContact O-CB 3.32Å; S54-K58 WeakPolarHBondContact O-CB 3.3Å; S54-K58 PolarHBondContact O-N 3.02Å; Y55-K58 PolarHBondContact O-N 3.37Å
59	N	97.8	Very high	97	Very high	52 Å²	52	69.1 Å²	69.1	28%	0.278	32%	0.322	S	S	.	.	H	α-helix	trans	-92.6	-6.3	-174.7	-65.7	-72.6	0	0	0	113.8	V26 V30 Y55 F57 P61	V26-N59 HydrophobicContact CG1-CB 3.94Å; V30-N59 HydrophobicContact CG2-CB 3.58Å; Y55-N59 VanDerWaalsContact CD2-ND2 3.32Å; Y55-N59 WeakPolarHBondContact CD2-ND2 3.33Å; Y55-N59 HydrophobicContact CE1-CB 4.33Å; Y55-N59 VanDerWaalsContact CE2-ND2 3.25Å; Y55-N59 WeakPolarHBondContact CE2-ND2 3.45Å; Y55-N59 WeakPolarHBondContact O-CB 3.41Å; Y55-N59 PolarHBondContact O-N 3.35Å; Y55-N59 PolarHBondContact O-ND2 3.21Å; F57-N59 VanDerWaalsContact C-N 3.35Å; F57-N59 PolarHBondContact O-N 3.4Å; N59-P61 VanDerWaalsContact O-CD 3.28Å; N59-P61 WeakPolarHBondContact O-CD 3.5Å
60	C	97.5	Very high	96.9	Very high	4 Å²	4	71.3 Å²	71.3	3%	0.027	33%	0.333	C	S	.	.	S	Bend	trans	-75.2	117.2	171.8	-175	0	0	0	0	109.8	V30 A56 R68 I71	V30-C60 HydrophobicContact CG1-CB 4.19Å; A56-C60 WeakPolarHBondContact O-CB 3.38Å; A56-C60 PolarHBondContact O-N 2.91Å; C60-R68 HydrophobicContact CB-CG 3.99Å; C60-R68 PolarHBondContact O-NH1 3.23Å; C60-I71 HydrophobicContact CB-CD1 4.03Å
61	P	95.9	Very high	96.9	Very high	66 Å²	66	71 Å²	71	43%	0.429	33%	0.331	S	S	.	.			trans	-55.9	143.9	-177.7	-26.8	34.2	0	0	0	113.3	N59 K63 F64	N59-P61 VanDerWaalsContact O-CD 3.28Å; N59-P61 WeakPolarHBondContact O-CD 3.5Å; P61-K63 HydrophobicContact CB-CG 4.1Å; P61-K63 PolarHBondContact O-N 3.04Å; P61-K63 VanDerWaalsContact O-N 3.16Å; P61-F64 HydrophobicContact CB-CD2 3.83Å; P61-F64 HydrophobicContact CB-CE2 4.16Å; P61-F64 HydrophobicContact CG-CD2 3.95Å; P61-F64 HydrophobicContact CG-CE2 4.02Å; P61-F64 PolarHBondContact O-N 2.98Å
62	E	94.7	Very high	96.9	Very high	135 Å²	135	63.3 Å²	63.3	63%	0.631	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.7	-175.1	-63.6	-161.7	145.6	0	0	113.7	F64	E62-F64 PolarHBondContact O-N 3.05Å; E62-F64 VanDerWaalsContact O-N 3.14Å
63	K	95.8	Very high	96.8	Very high	171 Å²	171	63.7 Å²	63.7	74%	0.743	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-25.2	175.1	66.2	178.5	-179.5	179.6	0	113.7	P61 L65	P61-K63 HydrophobicContact CB-CG 4.1Å; P61-K63 PolarHBondContact O-N 3.04Å; P61-K63 VanDerWaalsContact O-N 3.16Å; K63-L65 VanDerWaalsContact C-N 3.32Å; K63-L65 PolarHBondContact O-N 2.72Å
64	F	95.9	Very high	96.6	Very high	94 Å²	94	63.7 Å²	63.7	41%	0.412	30%	0.299	S	S	.	.			trans	-93	59	179.3	-59.5	-63.9	0	0	0	111.6	P61 E62 K66 N67 R68	P61-F64 HydrophobicContact CB-CD2 3.83Å; P61-F64 HydrophobicContact CB-CE2 4.16Å; P61-F64 HydrophobicContact CG-CD2 3.95Å; P61-F64 HydrophobicContact CG-CE2 4.02Å; P61-F64 PolarHBondContact O-N 2.98Å; E62-F64 PolarHBondContact O-N 3.05Å; E62-F64 VanDerWaalsContact O-N 3.14Å; F64-K66 VanDerWaalsContact C-N 3.27Å; F64-K66 PolarHBondContact O-N 2.83Å; F64-N67 HydrophobicContact CB-CB 4.22Å; F64-N67 PolarHBondContact O-N 3.39Å; F64-R68 PolarHBondContact O-N 2.98Å; F64-R68 VanDerWaalsContact O-N 3.1Å
65	L	95.8	Very high	96.6	Very high	75 Å²	75	62.4 Å²	62.4	39%	0.393	29%	0.289	S	S	.	.	H	α-helix	trans	-54.2	-41.4	-175.7	-175.3	64.2	0	0	0	112.8	K63 N67 R68 R69 Y94	K63-L65 VanDerWaalsContact C-N 3.32Å; K63-L65 PolarHBondContact O-N 2.72Å; L65-N67 VanDerWaalsContact C-N 3.35Å; L65-N67 PolarHBondContact O-N 3.16Å; L65-R68 PolarHBondContact O-N 3.21Å; L65-R69 VanDerWaalsContact O-CG 3.3Å; L65-R69 WeakPolarHBondContact O-CG 3.45Å; L65-R69 PolarHBondContact O-N 3Å; L65-Y94 HydrophobicContact CD1-CD1 3.61Å; L65-Y94 HydrophobicContact CD1-CE1 3.82Å
66	K	95.3	Very high	96.5	Very high	160 Å²	160	59 Å²	59	70%	0.696	28%	0.276	S	S	*	.	H	α-helix	trans	-57.7	-45.4	177.6	-176	179.7	177.7	-178.7	0	112.1	F64 R69 I70	F64-K66 VanDerWaalsContact C-N 3.27Å; F64-K66 PolarHBondContact O-N 2.83Å; K66-R69 PolarHBondContact O-N 3.23Å; K66-I70 HydrophobicContact CG-CD1 4.25Å; K66-I70 WeakPolarHBondContact O-CG1 3.28Å; K66-I70 PolarHBondContact O-N 3.42Å; K66-I70 VanDerWaalsContact O-N 3.1Å
67	N	95.6	Very high	96.4	Very high	81 Å²	81	59 Å²	59	43%	0.433	28%	0.276	S	S	.	.	H	α-helix	trans	-68.2	-42.7	-179.6	-67.3	-1.1	0	0	0	110.7	F64 L65 R69 I70 I71	F64-N67 HydrophobicContact CB-CB 4.22Å; F64-N67 PolarHBondContact O-N 3.39Å; L65-N67 VanDerWaalsContact C-N 3.35Å; L65-N67 PolarHBondContact O-N 3.16Å; N67-R69 VanDerWaalsContact C-N 3.3Å; N67-R69 PolarHBondContact O-N 3.33Å; N67-I70 PolarHBondContact O-N 3.44Å; N67-I71 VanDerWaalsContact O-CG1 3.3Å; N67-I71 WeakPolarHBondContact O-CG1 3.38Å; N67-I71 PolarHBondContact O-N 2.95Å
68	R	97.7	Very high	96.3	Very high	22 Å²	22	57.4 Å²	57.4	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-58.7	-41.2	175	-67.6	-172.5	70.8	120.5	-5	112.2	F57 C60 F64 L65 I71 L72 Y94	F57-R68 HydrophobicContact CD2-CB 4.24Å; F57-R68 HydrophobicContact CE2-CB 3.99Å; F57-R68 HydrophobicContact CE2-CG 4.44Å; F57-R68 PolarHBondContact O-NH1 3.15Å; C60-R68 HydrophobicContact CB-CG 3.99Å; C60-R68 PolarHBondContact O-NH1 3.23Å; F64-R68 PolarHBondContact O-N 2.98Å; F64-R68 VanDerWaalsContact O-N 3.1Å; L65-R68 PolarHBondContact O-N 3.21Å; R68-I71 PolarHBondContact O-N 3.3Å; R68-L72 WeakPolarHBondContact O-CB 3.44Å; R68-L72 WeakPolarHBondContact O-CG 3.39Å; R68-L72 PolarHBondContact O-N 3.13Å; R68-Y94 HydrophobicContact CB-CD1 4.35Å; R68-Y94 HydrophobicContact CB-CE1 3.91Å; R68-Y94 PolarHBondContact NE-OH 2.96Å; R68-Y94 VanDerWaalsContact NE-OH 3.16Å; R68-Y94 PolarHBondContact NH2-OH 3.43Å
69	R	96.2	Very high	96.3	Very high	83 Å²	83	51.6 Å²	51.6	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-60.9	-47.6	174.9	-72.3	177.1	74	-173.4	3.5	111.8	L65 K66 N67 I71 L72 M73 Y94 Q95	L65-R69 VanDerWaalsContact O-CG 3.3Å; L65-R69 WeakPolarHBondContact O-CG 3.45Å; L65-R69 PolarHBondContact O-N 3Å; K66-R69 PolarHBondContact O-N 3.23Å; N67-R69 VanDerWaalsContact C-N 3.3Å; N67-R69 PolarHBondContact O-N 3.33Å; R69-I71 VanDerWaalsContact C-N 3.34Å; R69-I71 PolarHBondContact O-N 3.35Å; R69-L72 PolarHBondContact O-N 3.02Å; R69-M73 WeakPolarHBondContact O-CG 3.4Å; R69-M73 PolarHBondContact O-N 3.41Å; R69-Y94 VanDerWaalsContact CD-O 3.3Å; R69-Y94 WeakPolarHBondContact CD-O 3.21Å; R69-Y94 HydrophobicContact CG-CD1 4.36Å; R69-Y94 WeakPolarHBondContact CG-O 3.46Å; R69-Y94 PolarHBondContact NE-O 2.9Å; R69-Q95 PolarHBondContact NH2-O 2.91Å
70	I	95.1	Very high	96.2	Very high	46 Å²	46	49.1 Å²	49.1	24%	0.236	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-43.4	178.5	-67.5	162.9	0	0	0	110.9	Y34 K66 N67 M73 H74	Y34-I70 HydrophobicContact CE2-CG2 3.91Å; Y34-I70 WeakPolarHBondContact OH-CG2 2.99Å; K66-I70 HydrophobicContact CG-CD1 4.25Å; K66-I70 WeakPolarHBondContact O-CG1 3.28Å; K66-I70 PolarHBondContact O-N 3.42Å; K66-I70 VanDerWaalsContact O-N 3.1Å; N67-I70 PolarHBondContact O-N 3.44Å; I70-M73 PolarHBondContact O-N 2.93Å; I70-H74 PolarHBondContact O-ND1 3.48Å
71	I	97.2	Very high	96.1	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-46.8	176	-62.8	162.2	0	0	0	110.1	Y34 L53 A56 F57 C60 N67 R68 R69 M73 H74 L75	Y34-I71 HydrophobicContact CD2-CG1 3.82Å; Y34-I71 HydrophobicContact CE2-CG1 4.31Å; L53-I71 HydrophobicContact CD2-CG2 4.44Å; L53-I71 WeakPolarHBondContact O-CG2 3.41Å; A56-I71 HydrophobicContact CB-CD1 4.09Å; A56-I71 HydrophobicContact CB-CG1 4.49Å; A56-I71 HydrophobicContact CB-CG2 4.22Å; F57-I71 HydrophobicContact CB-CG2 3.76Å; C60-I71 HydrophobicContact CB-CD1 4.03Å; N67-I71 VanDerWaalsContact O-CG1 3.3Å; N67-I71 WeakPolarHBondContact O-CG1 3.38Å; N67-I71 PolarHBondContact O-N 2.95Å; R68-I71 PolarHBondContact O-N 3.3Å; R69-I71 VanDerWaalsContact C-N 3.34Å; R69-I71 PolarHBondContact O-N 3.35Å; I71-M73 VanDerWaalsContact C-N 3.35Å; I71-M73 PolarHBondContact O-N 3.47Å; I71-H74 PolarHBondContact O-N 3.48Å; I71-H74 VanDerWaalsContact O-N 3.1Å; I71-L75 WeakPolarHBondContact O-CB 3.26Å; I71-L75 PolarHBondContact O-N 3.02Å
72	L	96.8	Very high	96.1	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-38.3	178.3	-79	174.7	0	0	0	113.4	F57 R68 R69 H74 L75 I76 L90 Y94 L96	F57-L72 HydrophobicContact CD1-CD2 4.47Å; F57-L72 HydrophobicContact CD2-CD1 4.24Å; F57-L72 HydrophobicContact CD2-CD2 3.9Å; F57-L72 HydrophobicContact CD2-CG 3.67Å; F57-L72 HydrophobicContact CE1-CD2 4.27Å; F57-L72 HydrophobicContact CE2-CD1 3.41Å; F57-L72 VanDerWaalsContact CE2-CD1 3.41Å; F57-L72 HydrophobicContact CE2-CD2 3.68Å; F57-L72 HydrophobicContact CE2-CG 3.36Å; F57-L72 HydrophobicContact CG-CD2 4.28Å; F57-L72 HydrophobicContact CZ-CD1 3.82Å; F57-L72 HydrophobicContact CZ-CD2 3.86Å; F57-L72 HydrophobicContact CZ-CG 3.98Å; R68-L72 WeakPolarHBondContact O-CB 3.44Å; R68-L72 WeakPolarHBondContact O-CG 3.39Å; R68-L72 PolarHBondContact O-N 3.13Å; R69-L72 PolarHBondContact O-N 3.02Å; L72-H74 PolarHBondContact O-N 3.11Å; L72-H74 VanDerWaalsContact O-N 3.13Å; L72-L75 HydrophobicContact CD2-CD2 4.37Å; L72-L75 PolarHBondContact O-N 3.48Å; L72-L75 VanDerWaalsContact O-N 3.16Å; L72-I76 HydrophobicContact CB-CD1 4.33Å; L72-I76 WeakPolarHBondContact O-CB 3.29Å; L72-I76 VanDerWaalsContact O-CG1 3.25Å; L72-I76 WeakPolarHBondContact O-CG1 3.2Å; L72-I76 PolarHBondContact O-N 3.2Å; L72-L90 HydrophobicContact CD2-CD2 4.44Å; L72-Y94 HydrophobicContact CD1-CD1 3.81Å; L72-Y94 HydrophobicContact CD1-CD2 3.33Å; L72-Y94 HydrophobicContact CD1-CE1 4.3Å; L72-Y94 HydrophobicContact CD1-CE2 3.85Å; L72-Y94 HydrophobicContact CD1-CG 3.31Å; L72-L96 HydrophobicContact CB-CD1 3.6Å; L72-L96 HydrophobicContact CD1-CD1 4.05Å; L72-L96 HydrophobicContact CG-CD1 4.5Å
73	M	95.7	Very high	96.1	Very high	21 Å²	21	44.1 Å²	44.1	10%	0.103	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-26.8	176.3	-73.3	-175.7	79.9	0	0	112.8	R69 I70 I71 P77 L96 F99 F125 N128 C129	R69-M73 WeakPolarHBondContact O-CG 3.4Å; R69-M73 PolarHBondContact O-N 3.41Å; I70-M73 PolarHBondContact O-N 2.93Å; I71-M73 VanDerWaalsContact C-N 3.35Å; I71-M73 PolarHBondContact O-N 3.47Å; M73-P77 WeakPolarHBondContact O-CD 3.45Å; M73-P77 WeakPolarHBondContact O-CG 3.5Å; M73-L96 HydrophobicContact CG-CD2 3.86Å; M73-L96 HydrophobicContact SD-CD2 4.49Å; M73-F99 HydrophobicContact CB-CZ 4.45Å; M73-F99 HydrophobicContact CG-CE2 4.21Å; M73-F99 HydrophobicContact CG-CZ 4.39Å; M73-F125 HydrophobicContact CE-CD1 4.08Å; M73-N128 HydrophobicContact CB-CB 4.46Å; M73-N128 HydrophobicContact CE-CB 3.93Å; M73-N128 HydrophobicContact SD-CB 4.27Å; M73-C129 VanDerWaalsContact O-CB 3.24Å; M73-C129 WeakPolarHBondContact O-CB 3.3Å; M73-C129 PolarHBondContact O-SG 2.67Å; M73-C129 VanDerWaalsContact O-SG 3.39Å
74	H	95.6	Very high	96.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-92.3	-37.1	174.4	-61.2	86.3	0	0	0	112.2	R38 L41 L53 I70 I71 L72 P77 V78 N128	R38-H74 HydrophobicContact CG-CB 4.48Å; R38-H74 PolarHBondContact NE-NE2 2.96Å; L41-H74 HydrophobicContact CD2-CB 4.13Å; L53-H74 HydrophobicContact CD1-CB 3.88Å; L53-H74 HydrophobicContact CD2-CB 4.27Å; I70-H74 PolarHBondContact O-ND1 3.48Å; I71-H74 PolarHBondContact O-N 3.48Å; I71-H74 VanDerWaalsContact O-N 3.1Å; L72-H74 PolarHBondContact O-N 3.11Å; L72-H74 VanDerWaalsContact O-N 3.13Å; H74-P77 WeakPolarHBondContact O-CD 3.24Å; H74-V78 WeakPolarHBondContact O-CG2 3.48Å; H74-N128 PolarHBondContact NE2-O 3.37Å
75	L	97.5	Very high	96.2	Very high	10 Å²	10	39.1 Å²	39.1	5%	0.052	19%	0.19	C	C	.	.	H	α-helix	trans	-68.8	-37.9	-179.1	-177.1	57.2	0	0	0	112.3	L53 F57 I71 L72 V78 K79	L53-L75 HydrophobicContact CB-CB 4.13Å; L53-L75 HydrophobicContact CB-CD1 3.77Å; L53-L75 HydrophobicContact CB-CG 4.42Å; F57-L75 HydrophobicContact CB-CD2 4.25Å; I71-L75 WeakPolarHBondContact O-CB 3.26Å; I71-L75 PolarHBondContact O-N 3.02Å; L72-L75 HydrophobicContact CD2-CD2 4.37Å; L72-L75 PolarHBondContact O-N 3.48Å; L72-L75 VanDerWaalsContact O-N 3.16Å; L75-V78 WeakPolarHBondContact O-CB 3.46Å; L75-V78 PolarHBondContact O-N 3.46Å; L75-K79 HydrophobicContact CD1-CD 4.32Å; L75-K79 HydrophobicContact CD1-CG 4Å; L75-K79 HydrophobicContact CG-CG 4.08Å; L75-K79 WeakPolarHBondContact O-CG 3.17Å; L75-K79 PolarHBondContact O-N 2.76Å
76	I	97.2	Very high	96.2	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-58	-53.8	-179.2	-70.8	162.8	0	0	0	111.4	L72 V78 K79 I80 P86 L91 L96 F99	L72-I76 HydrophobicContact CB-CD1 4.33Å; L72-I76 WeakPolarHBondContact O-CB 3.29Å; L72-I76 VanDerWaalsContact O-CG1 3.25Å; L72-I76 WeakPolarHBondContact O-CG1 3.2Å; L72-I76 PolarHBondContact O-N 3.2Å; I76-V78 VanDerWaalsContact C-N 3.3Å; I76-V78 PolarHBondContact O-N 3.12Å; I76-K79 PolarHBondContact O-N 3.27Å; I76-I80 HydrophobicContact CG2-CD1 3.85Å; I76-I80 WeakPolarHBondContact O-CG1 3.48Å; I76-I80 PolarHBondContact O-N 2.75Å; I76-P86 HydrophobicContact CG2-CG 4.12Å; I76-L91 HydrophobicContact CD1-CD2 3.72Å; I76-L96 HydrophobicContact CD1-CD1 3.85Å; I76-F99 HydrophobicContact CB-CD1 4.37Å; I76-F99 HydrophobicContact CB-CE1 4.16Å; I76-F99 HydrophobicContact CD1-CD2 4.29Å; I76-F99 HydrophobicContact CD1-CE2 4.35Å; I76-F99 HydrophobicContact CD1-CG 4.37Å; I76-F99 HydrophobicContact CD1-CZ 4.47Å; I76-F99 HydrophobicContact CG2-CD1 3.59Å; I76-F99 HydrophobicContact CG2-CE1 3.8Å; I76-F99 HydrophobicContact CG2-CG 4.29Å
77	P	95.6	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-53.6	-44.6	173.9	-25.4	30.6	0	0	0	113.2	M73 H74 K79 I80 Y81 F99 C129 F132 L133	M73-P77 WeakPolarHBondContact O-CD 3.45Å; M73-P77 WeakPolarHBondContact O-CG 3.5Å; H74-P77 WeakPolarHBondContact O-CD 3.24Å; P77-K79 PolarHBondContact O-N 3.47Å; P77-I80 PolarHBondContact O-N 2.65Å; P77-Y81 HydrophobicContact CB-CE2 4.45Å; P77-Y81 WeakPolarHBondContact O-CD2 3.33Å; P77-Y81 PolarHBondContact O-N 3.07Å; P77-F99 HydrophobicContact CG-CE1 4.43Å; P77-C129 HydrophobicContact CG-CB 4.29Å; P77-F132 HydrophobicContact CB-CB 4.35Å; P77-L133 HydrophobicContact CG-CD2 3.92Å; P77-L133 HydrophobicContact CG-CG 4.23Å
78	V	96.1	Very high	96.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-46.8	178.8	173.3	0	0	0	0	111.3	L41 F46 A49 D50 L53 H74 L75 I76 I80 Y81 R82	L41-V78 HydrophobicContact CB-CG2 4.24Å; L41-V78 HydrophobicContact CD1-CG2 3.48Å; L41-V78 VanDerWaalsContact CD1-CG2 3.48Å; L41-V78 HydrophobicContact CD2-CG2 3.96Å; L41-V78 HydrophobicContact CG-CG2 4.07Å; F46-V78 HydrophobicContact CB-CG1 4.4Å; A49-V78 HydrophobicContact CB-CG1 4.01Å; A49-V78 HydrophobicContact CB-CG2 3.83Å; D50-V78 HydrophobicContact CB-CG1 3.7Å; L53-V78 HydrophobicContact CD1-CG2 4Å; H74-V78 WeakPolarHBondContact O-CG2 3.48Å; L75-V78 WeakPolarHBondContact O-CB 3.46Å; L75-V78 PolarHBondContact O-N 3.46Å; I76-V78 VanDerWaalsContact C-N 3.3Å; I76-V78 PolarHBondContact O-N 3.12Å; V78-I80 VanDerWaalsContact C-N 3.31Å; V78-I80 PolarHBondContact O-N 3.18Å; V78-Y81 PolarHBondContact O-N 3.24Å; V78-R82 WeakPolarHBondContact O-CG 3.39Å; V78-R82 PolarHBondContact O-N 3.31Å; V78-R82 VanDerWaalsContact O-N 3.11Å
79	K	97.3	Very high	96.2	Very high	47 Å²	47	41.7 Å²	41.7	20%	0.204	21%	0.207	C	C	.	.	H	α-helix	trans	-59.9	-41.9	176.3	-70.1	-58.8	-164.2	-179.8	0	111.5	D50 L75 I76 P77 Y81 R82 G83 Q84	D50-K79 WeakPolarHBondContact OD1-CE 3.34Å; D50-K79 IonicContact OD1-NZ 3.4Å; D50-K79 PolarHBondContact OD1-NZ 3.45Å; D50-K79 IonicContact OD2-NZ 2.65Å; D50-K79 PolarHBondContact OD2-NZ 2.84Å; L75-K79 HydrophobicContact CD1-CD 4.32Å; L75-K79 HydrophobicContact CD1-CG 4Å; L75-K79 HydrophobicContact CG-CG 4.08Å; L75-K79 WeakPolarHBondContact O-CG 3.17Å; L75-K79 PolarHBondContact O-N 2.76Å; I76-K79 PolarHBondContact O-N 3.27Å; P77-K79 PolarHBondContact O-N 3.47Å; K79-Y81 PolarHBondContact O-N 3.09Å; K79-R82 CarbonylContact O-C 3.09Å; K79-R82 WeakPolarHBondContact O-CA 3.34Å; K79-R82 PolarHBondContact O-N 3.18Å; K79-G83 PolarHBondContact O-N 3.4Å; K79-Q84 CarbonylContact C-O 3.47Å; K79-Q84 HydrophobicContact CB-CB 4.14Å; K79-Q84 HydrophobicContact CD-CB 4.49Å; K79-Q84 WeakPolarHBondContact O-CA 3.06Å; K79-Q84 PolarHBondContact O-N 3.33Å; K79-Q84 VanDerWaalsContact O-O 3.14Å
80	I	96.9	Very high	96.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-42.8	176.8	-62.9	167.5	0	0	0	111.1	I76 P77 V78 R82 G83 Q84 M85 V103 V106 L136	I76-I80 HydrophobicContact CG2-CD1 3.85Å; I76-I80 WeakPolarHBondContact O-CG1 3.48Å; I76-I80 PolarHBondContact O-N 2.75Å; P77-I80 PolarHBondContact O-N 2.65Å; V78-I80 VanDerWaalsContact C-N 3.31Å; V78-I80 PolarHBondContact O-N 3.18Å; I80-R82 PolarHBondContact O-N 3.06Å; I80-G83 PolarHBondContact O-N 2.94Å; I80-Q84 WeakPolarHBondContact CA-O 2.92Å; I80-Q84 PolarHBondContact N-O 3.44Å; I80-M85 HydrophobicContact CG1-SD 4.02Å; I80-M85 HydrophobicContact CG2-CE 4.14Å; I80-M85 HydrophobicContact CG2-SD 4.14Å; I80-V103 HydrophobicContact CD1-CG2 4.12Å; I80-V106 HydrophobicContact CG2-CG1 3.96Å; I80-L136 HydrophobicContact CB-CD1 4.47Å; I80-L136 HydrophobicContact CB-CD2 4.07Å; I80-L136 HydrophobicContact CD1-CD1 4.05Å; I80-L136 HydrophobicContact CG2-CD1 4.26Å; I80-L136 HydrophobicContact CG2-CD2 3.67Å
81	Y	95.2	Very high	96.4	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.02	20%	0.195	C	C	.	.	H	α-helix	trans	-61.1	-25	173.8	-77.9	-66.4	0	0	0	113.5	F46 P77 V78 K79 F132 K135 L136 V139 L214 W219	F46-Y81 HydrophobicContact CD1-CD2 4.17Å; F46-Y81 HydrophobicContact CD1-CG 4.38Å; F46-Y81 VanDerWaalsContact CD2-CB 3.47Å; F46-Y81 HydrophobicContact CD2-CD1 4.3Å; F46-Y81 HydrophobicContact CD2-CD2 4.42Å; F46-Y81 AromaticContact CD2-CG 3.85Å; F46-Y81 HydrophobicContact CD2-CG 3.85Å; F46-Y81 AromaticContact CE1-CD2 3.62Å; F46-Y81 HydrophobicContact CE1-CD2 3.62Å; F46-Y81 HydrophobicContact CE1-CE2 4.05Å; F46-Y81 AromaticContact CE1-CG 4Å; F46-Y81 HydrophobicContact CE1-CG 4Å; F46-Y81 AromaticContact CE2-CD1 3.47Å; F46-Y81 HydrophobicContact CE2-CD1 3.47Å; F46-Y81 VanDerWaalsContact CE2-CD1 3.47Å; F46-Y81 AromaticContact CE2-CD2 3.83Å; F46-Y81 HydrophobicContact CE2-CD2 3.83Å; F46-Y81 HydrophobicContact CE2-CE1 4.11Å; F46-Y81 HydrophobicContact CE2-CE2 4.45Å; F46-Y81 AromaticContact CE2-CG 3.32Å; F46-Y81 HydrophobicContact CE2-CG 3.32Å; F46-Y81 HydrophobicContact CG-CG 4.34Å; F46-Y81 AromaticContact CZ-CD1 3.72Å; F46-Y81 HydrophobicContact CZ-CD1 3.72Å; F46-Y81 AromaticContact CZ-CD2 3.43Å; F46-Y81 HydrophobicContact CZ-CD2 3.43Å; F46-Y81 VanDerWaalsContact CZ-CD2 3.43Å; F46-Y81 AromaticContact CZ-CE1 3.99Å; F46-Y81 HydrophobicContact CZ-CE1 3.99Å; F46-Y81 AromaticContact CZ-CE2 3.75Å; F46-Y81 HydrophobicContact CZ-CE2 3.75Å; F46-Y81 AromaticContact CZ-CG 3.44Å; F46-Y81 HydrophobicContact CZ-CG 3.44Å; F46-Y81 VanDerWaalsContact CZ-CG 3.44Å; P77-Y81 HydrophobicContact CB-CE2 4.45Å; P77-Y81 WeakPolarHBondContact O-CD2 3.33Å; P77-Y81 PolarHBondContact O-N 3.07Å; V78-Y81 PolarHBondContact O-N 3.24Å; K79-Y81 PolarHBondContact O-N 3.09Å; Y81-F132 PolarHBondContact OH-O 2.84Å; Y81-K135 WeakPolarHBondContact OH-CA 3.39Å; Y81-K135 WeakPolarHBondContact OH-CB 3.37Å; Y81-L136 HydrophobicContact CD1-CD2 3.94Å; Y81-L136 HydrophobicContact CD2-CD2 3.85Å; Y81-L136 HydrophobicContact CE1-CD2 3.66Å; Y81-L136 HydrophobicContact CE1-CG 4.5Å; Y81-L136 HydrophobicContact CE2-CD2 3.54Å; Y81-L136 HydrophobicContact CE2-CG 4.1Å; Y81-L136 HydrophobicContact CG-CD2 4.01Å; Y81-L136 VanDerWaalsContact CZ-CD2 3.41Å; Y81-L136 PolarHBondContact OH-N 3.17Å; Y81-V139 HydrophobicContact CD1-CG2 3.84Å; Y81-V139 HydrophobicContact CE1-CG2 3.92Å; Y81-L214 WeakPolarHBondContact O-CB 3.42Å; Y81-W219 HydrophobicContact CD1-CD2 4.12Å; Y81-W219 AromaticContact CD1-CE2 3.93Å; Y81-W219 HydrophobicContact CD1-CG 4.25Å; Y81-W219 HydrophobicContact CD1-CZ2 4.37Å; Y81-W219 HydrophobicContact CE1-CD2 4.37Å
82	R	95.4	Very high	96.4	Very high	56 Å²	56	43.4 Å²	43.4	21%	0.211	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	8.4	173.1	-62.6	-166.2	70.1	156.9	9.6	113.7	F46 D50 V78 K79 I80	F46-R82 HydrophobicContact CB-CG 4.15Å; D50-R82 WeakPolarHBondContact OD2-CD 3.18Å; D50-R82 IonicContact OD2-CZ 3.05Å; D50-R82 IonicContact OD2-NE 3.92Å; D50-R82 IonicContact OD2-NH1 3.18Å; D50-R82 PolarHBondContact OD2-NH1 2.83Å; V78-R82 WeakPolarHBondContact O-CG 3.39Å; V78-R82 PolarHBondContact O-N 3.31Å; V78-R82 VanDerWaalsContact O-N 3.11Å; K79-R82 CarbonylContact O-C 3.09Å; K79-R82 WeakPolarHBondContact O-CA 3.34Å; K79-R82 PolarHBondContact O-N 3.18Å; I80-R82 PolarHBondContact O-N 3.06Å
83	G	95.2	Very high	96.4	Very high	39 Å²	39	49.3 Å²	49.3	40%	0.402	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	13.5	178.3	0	0	0	0	0	115.3	K79 I80	K79-G83 PolarHBondContact O-N 3.4Å; I80-G83 PolarHBondContact O-N 2.94Å
84	Q	96.5	Very high	96.4	Very high	102 Å²	102	48.7 Å²	48.7	48%	0.477	24%	0.241	S	C	.	.			trans	-105	113.1	177.9	-62.4	179	10.6	0	0	110	K79 I80	K79-Q84 CarbonylContact C-O 3.47Å; K79-Q84 HydrophobicContact CB-CB 4.14Å; K79-Q84 HydrophobicContact CD-CB 4.49Å; K79-Q84 WeakPolarHBondContact O-CA 3.06Å; K79-Q84 PolarHBondContact O-N 3.33Å; K79-Q84 VanDerWaalsContact O-O 3.14Å; I80-Q84 WeakPolarHBondContact CA-O 2.92Å; I80-Q84 PolarHBondContact N-O 3.44Å
85	M	96	Very high	96.5	Very high	58 Å²	58	54.5 Å²	54.5	29%	0.286	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-84.3	142.7	175.4	-62.6	-61.5	173.6	0	0	110.4	I80 V103 V106 R107	I80-M85 HydrophobicContact CG1-SD 4.02Å; I80-M85 HydrophobicContact CG2-CE 4.14Å; I80-M85 HydrophobicContact CG2-SD 4.14Å; M85-V103 HydrophobicContact CB-CG1 4.21Å; M85-V103 HydrophobicContact CG-CG1 4.41Å; M85-V103 HydrophobicContact SD-CG1 3.99Å; M85-V106 HydrophobicContact CE-CB 4.48Å; M85-V106 HydrophobicContact CE-CG1 3.83Å; M85-R107 HydrophobicContact CE-CB 4.45Å
86	P	96.6	Very high	96.4	Very high	18 Å²	18	54.3 Å²	54.3	12%	0.117	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-67.9	150.4	173.5	31.3	-36	0	0	0	111	I76 L90 L91 V103	I76-P86 HydrophobicContact CG2-CG 4.12Å; P86-L90 HydrophobicContact CB-CD2 4.42Å; P86-L91 HydrophobicContact CB-CD2 4.04Å; P86-L91 HydrophobicContact CB-CG 4.27Å; P86-L91 HydrophobicContact CG-CD1 4.19Å; P86-L91 HydrophobicContact CG-CD2 4.19Å; P86-L91 HydrophobicContact CG-CG 4.42Å; P86-V103 HydrophobicContact CG-CG1 4.39Å; P86-V103 HydrophobicContact CG-CG2 3.54Å
87	F	95.9	Very high	96.4	Very high	162 Å²	162	57.1 Å²	57.1	71%	0.711	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-79.1	147.4	169.1	-62.5	-74.6	0	0	0	110.6	D89 L90 L91	F87-D89 VanDerWaalsContact C-N 3.34Å; F87-D89 PolarHBondContact O-N 3.48Å; F87-L90 WeakPolarHBondContact O-CB 3.42Å; F87-L90 PolarHBondContact O-N 2.88Å; F87-L90 VanDerWaalsContact O-N 3.16Å; F87-L91 PolarHBondContact O-N 3.19Å
88	N	94.8	Very high	96.4	Very high	88 Å²	88	58.9 Å²	58.9	47%	0.471	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-43.9	179.1	-69.5	-0.7	0	0	0	111.5	L90 L91 E92	N88-L90 PolarHBondContact O-N 2.93Å; N88-L90 VanDerWaalsContact O-N 3.13Å; N88-L91 CarbonylContact O-C 3.58Å; N88-L91 WeakPolarHBondContact O-CA 3.28Å; N88-L91 WeakPolarHBondContact O-CB 3.29Å; N88-L91 PolarHBondContact O-N 2.91Å; N88-E92 PolarHBondContact O-N 2.96Å
89	D	97.4	Very high	96.4	Very high	124 Å²	124	58.9 Å²	58.9	66%	0.663	30%	0.296	S	S	*	.	H	α-helix	trans	-55.7	-35	177.3	-55.8	2.5	0	0	0	112.9	F87 K93	F87-D89 VanDerWaalsContact C-N 3.34Å; F87-D89 PolarHBondContact O-N 3.48Å; D89-K93 WeakPolarHBondContact O-CB 3.16Å; D89-K93 PolarHBondContact O-N 2.89Å
90	L	97.3	Very high	96.4	Very high	54 Å²	54	59.6 Å²	59.6	28%	0.283	30%	0.3	S	S	.	.	H	α-helix	trans	-67.4	-43.9	174.9	-178.4	75.5	0	0	0	110.6	L72 P86 F87 N88 Y94	L72-L90 HydrophobicContact CD2-CD2 4.44Å; P86-L90 HydrophobicContact CB-CD2 4.42Å; F87-L90 WeakPolarHBondContact O-CB 3.42Å; F87-L90 PolarHBondContact O-N 2.88Å; F87-L90 VanDerWaalsContact O-N 3.16Å; N88-L90 PolarHBondContact O-N 2.93Å; N88-L90 VanDerWaalsContact O-N 3.13Å; L90-Y94 HydrophobicContact CD1-CD2 3.79Å; L90-Y94 HydrophobicContact CD1-CE2 3.67Å; L90-Y94 HydrophobicContact CG-CD2 4.34Å; L90-Y94 WeakPolarHBondContact O-CD2 3.47Å; L90-Y94 PolarHBondContact O-N 3.35Å
91	L	97.8	Very high	96.4	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-65.2	-42.5	179	-60.6	-178.2	0	0	0	110.8	I76 P86 F87 N88 Q95 L96 F99 E100	I76-L91 HydrophobicContact CD1-CD2 3.72Å; P86-L91 HydrophobicContact CB-CD2 4.04Å; P86-L91 HydrophobicContact CB-CG 4.27Å; P86-L91 HydrophobicContact CG-CD1 4.19Å; P86-L91 HydrophobicContact CG-CD2 4.19Å; P86-L91 HydrophobicContact CG-CG 4.42Å; F87-L91 PolarHBondContact O-N 3.19Å; N88-L91 CarbonylContact O-C 3.58Å; N88-L91 WeakPolarHBondContact O-CA 3.28Å; N88-L91 WeakPolarHBondContact O-CB 3.29Å; N88-L91 PolarHBondContact O-N 2.91Å; L91-Q95 PolarHBondContact O-N 3.37Å; L91-L96 HydrophobicContact CD2-CB 4.08Å; L91-L96 PolarHBondContact O-N 3.18Å; L91-F99 HydrophobicContact CD1-CB 4.13Å; L91-F99 HydrophobicContact CD2-CB 4.08Å; L91-E100 HydrophobicContact CD1-CG 3.63Å
92	E	97.3	Very high	96.5	Very high	117 Å²	117	62 Å²	62	55%	0.547	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-51.6	175.4	-69.5	178.7	-167.4	0	0	111.5	N88 Y94 Q95 T97	N88-E92 PolarHBondContact O-N 2.96Å; E92-Y94 PolarHBondContact O-N 3.5Å; E92-Y94 VanDerWaalsContact O-N 3.11Å; E92-Q95 PolarHBondContact O-N 3.4Å; E92-T97 HydrophobicContact CG-CG2 3.95Å
93	K	96.6	Very high	96.6	Very high	128 Å²	128	59.7 Å²	59.7	56%	0.557	31%	0.308	S	S	*	.	H	α-helix	trans	-52.8	-37.9	179.9	177.4	173.5	177.9	173.9	0	112.6	D89	D89-K93 WeakPolarHBondContact O-CB 3.16Å; D89-K93 PolarHBondContact O-N 2.89Å
94	Y	96.9	Very high	96.8	Very high	8 Å²	8	59.4 Å²	59.4	3%	0.031	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	9.1	-177.8	-69.2	-77.6	0	0	0	114	F57 L65 R68 R69 L72 L90 E92 L96	F57-Y94 HydrophobicContact CE2-CE1 4.12Å; F57-Y94 HydrophobicContact CE2-CE2 4.18Å; F57-Y94 AromaticContact CE2-CZ 3.82Å; F57-Y94 HydrophobicContact CZ-CE1 4.33Å; F57-Y94 AromaticContact CZ-CE2 3.67Å; F57-Y94 HydrophobicContact CZ-CE2 3.67Å; F57-Y94 AromaticContact CZ-CZ 3.57Å; F57-Y94 WeakPolarHBondContact CZ-OH 3.41Å; L65-Y94 HydrophobicContact CD1-CD1 3.61Å; L65-Y94 HydrophobicContact CD1-CE1 3.82Å; R68-Y94 HydrophobicContact CB-CD1 4.35Å; R68-Y94 HydrophobicContact CB-CE1 3.91Å; R68-Y94 PolarHBondContact NE-OH 2.96Å; R68-Y94 VanDerWaalsContact NE-OH 3.16Å; R68-Y94 PolarHBondContact NH2-OH 3.43Å; R69-Y94 VanDerWaalsContact CD-O 3.3Å; R69-Y94 WeakPolarHBondContact CD-O 3.21Å; R69-Y94 HydrophobicContact CG-CD1 4.36Å; R69-Y94 WeakPolarHBondContact CG-O 3.46Å; R69-Y94 PolarHBondContact NE-O 2.9Å; L72-Y94 HydrophobicContact CD1-CD1 3.81Å; L72-Y94 HydrophobicContact CD1-CD2 3.33Å; L72-Y94 HydrophobicContact CD1-CE1 4.3Å; L72-Y94 HydrophobicContact CD1-CE2 3.85Å; L72-Y94 HydrophobicContact CD1-CG 3.31Å; L90-Y94 HydrophobicContact CD1-CD2 3.79Å; L90-Y94 HydrophobicContact CD1-CE2 3.67Å; L90-Y94 HydrophobicContact CG-CD2 4.34Å; L90-Y94 WeakPolarHBondContact O-CD2 3.47Å; L90-Y94 PolarHBondContact O-N 3.35Å; E92-Y94 PolarHBondContact O-N 3.5Å; E92-Y94 VanDerWaalsContact O-N 3.11Å; Y94-L96 VanDerWaalsContact C-N 3.3Å; Y94-L96 PolarHBondContact O-N 3.22Å
95	Q	96.5	Very high	96.9	Very high	122 Å²	122	54.8 Å²	54.8	57%	0.57	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	49.6	-178.6	-57	169.9	-0.7	0	0	111.7	R69 L91 E92	R69-Q95 PolarHBondContact NH2-O 2.91Å; L91-Q95 PolarHBondContact O-N 3.37Å; E92-Q95 PolarHBondContact O-N 3.4Å
96	L	96.5	Very high	97	Very high	5 Å²	5	52 Å²	52	3%	0.026	27%	0.267	C	S	.	.			trans	-120.4	23.5	178.9	-63.9	178.7	0	0	0	111.2	L72 M73 I76 L91 Y94 V98 F99	L72-L96 HydrophobicContact CB-CD1 3.6Å; L72-L96 HydrophobicContact CD1-CD1 4.05Å; L72-L96 HydrophobicContact CG-CD1 4.5Å; M73-L96 HydrophobicContact CG-CD2 3.86Å; M73-L96 HydrophobicContact SD-CD2 4.49Å; I76-L96 HydrophobicContact CD1-CD1 3.85Å; L91-L96 HydrophobicContact CD2-CB 4.08Å; L91-L96 PolarHBondContact O-N 3.18Å; Y94-L96 VanDerWaalsContact C-N 3.3Å; Y94-L96 PolarHBondContact O-N 3.22Å; L96-V98 PolarHBondContact O-N 3.06Å; L96-F99 HydrophobicContact CB-CD2 4.06Å; L96-F99 HydrophobicContact CB-CE2 4.49Å; L96-F99 HydrophobicContact CD2-CE2 4.31Å; L96-F99 WeakPolarHBondContact O-CB 3.39Å; L96-F99 WeakPolarHBondContact O-CD2 3.37Å; L96-F99 PolarHBondContact O-N 3.11Å
97	T	96.7	Very high	97	Very high	66 Å²	66	58.7 Å²	58.7	41%	0.405	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-57.2	-19.5	178.5	56.4	0	0	0	0	113	E92 F99 E100	E92-T97 HydrophobicContact CG-CG2 3.95Å; T97-F99 PolarHBondContact O-N 3.5Å; T97-F99 VanDerWaalsContact O-N 3.08Å; T97-E100 VanDerWaalsContact CB-OE1 3.31Å; T97-E100 WeakPolarHBondContact CB-OE1 3.49Å; T97-E100 VanDerWaalsContact CG2-OE1 3.27Å; T97-E100 WeakPolarHBondContact CG2-OE1 3.39Å; T97-E100 VanDerWaalsContact O-CB 3.23Å; T97-E100 WeakPolarHBondContact O-CB 3.29Å; T97-E100 VanDerWaalsContact O-CG 3.3Å; T97-E100 WeakPolarHBondContact O-CG 3.41Å; T97-E100 PolarHBondContact O-N 3.23Å
98	V	95.2	Very high	97	Very high	37 Å²	37	55.3 Å²	55.3	22%	0.224	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-58.5	-19.5	170.7	71	0	0	0	0	114.3	L96 P101 L124 F125	L96-V98 PolarHBondContact O-N 3.06Å; V98-P101 WeakPolarHBondContact O-CD 3.48Å; V98-L124 HydrophobicContact CB-CD2 4.02Å; V98-L124 HydrophobicContact CG1-CD2 3.9Å; V98-L124 HydrophobicContact CG2-CD2 3.45Å; V98-L124 VanDerWaalsContact CG2-CD2 3.45Å; V98-F125 HydrophobicContact CB-CZ 4.34Å; V98-F125 HydrophobicContact CG1-CE1 3.9Å; V98-F125 HydrophobicContact CG1-CZ 3.75Å; V98-F125 HydrophobicContact CG2-CE2 4.24Å; V98-F125 HydrophobicContact CG2-CZ 3.82Å
99	F	96.8	Very high	97.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-78.4	-21.1	172.4	-77.6	-97.8	0	0	0	113.3	M73 I76 P77 L91 L96 T97 I102 V103 F125 L133	M73-F99 HydrophobicContact CB-CZ 4.45Å; M73-F99 HydrophobicContact CG-CE2 4.21Å; M73-F99 HydrophobicContact CG-CZ 4.39Å; I76-F99 HydrophobicContact CB-CD1 4.37Å; I76-F99 HydrophobicContact CB-CE1 4.16Å; I76-F99 HydrophobicContact CD1-CD2 4.29Å; I76-F99 HydrophobicContact CD1-CE2 4.35Å; I76-F99 HydrophobicContact CD1-CG 4.37Å; I76-F99 HydrophobicContact CD1-CZ 4.47Å; I76-F99 HydrophobicContact CG2-CD1 3.59Å; I76-F99 HydrophobicContact CG2-CE1 3.8Å; I76-F99 HydrophobicContact CG2-CG 4.29Å; P77-F99 HydrophobicContact CG-CE1 4.43Å; L91-F99 HydrophobicContact CD1-CB 4.13Å; L91-F99 HydrophobicContact CD2-CB 4.08Å; L96-F99 HydrophobicContact CB-CD2 4.06Å; L96-F99 HydrophobicContact CB-CE2 4.49Å; L96-F99 HydrophobicContact CD2-CE2 4.31Å; L96-F99 WeakPolarHBondContact O-CB 3.39Å; L96-F99 WeakPolarHBondContact O-CD2 3.37Å; L96-F99 PolarHBondContact O-N 3.11Å; T97-F99 PolarHBondContact O-N 3.5Å; T97-F99 VanDerWaalsContact O-N 3.08Å; F99-I102 WeakPolarHBondContact O-CA 3.49Å; F99-I102 WeakPolarHBondContact O-CB 3.28Å; F99-I102 PolarHBondContact O-N 3.42Å; F99-I102 VanDerWaalsContact O-N 3.08Å; F99-V103 HydrophobicContact CB-CG2 4.46Å; F99-V103 VanDerWaalsContact O-CG2 3.28Å; F99-V103 WeakPolarHBondContact O-CG2 3.36Å; F99-V103 PolarHBondContact O-N 3.18Å; F99-F125 HydrophobicContact CD2-CE1 4.2Å; F99-F125 HydrophobicContact CE1-CE1 4.35Å; F99-F125 AromaticContact CE2-CE1 3.76Å; F99-F125 HydrophobicContact CE2-CE1 3.76Å; F99-F125 HydrophobicContact CZ-CD1 4.4Å; F99-F125 AromaticContact CZ-CE1 3.84Å; F99-F125 HydrophobicContact CZ-CE1 3.84Å; F99-L133 HydrophobicContact CD1-CD2 4.27Å; F99-L133 HydrophobicContact CE1-CD1 4.09Å; F99-L133 HydrophobicContact CE1-CD2 3.81Å; F99-L133 HydrophobicContact CE1-CG 4.4Å; F99-L133 HydrophobicContact CZ-CD1 4.43Å
100	E	97.3	Very high	97.3	Very high	62 Å²	62	48 Å²	48	29%	0.29	24%	0.24	S	C	.	.	H	α-helix	trans	-53	-51.1	-178.6	-68.8	169.7	-162.6	0	0	113.7	L91 T97 I102 V103 A104	L91-E100 HydrophobicContact CD1-CG 3.63Å; T97-E100 VanDerWaalsContact CB-OE1 3.31Å; T97-E100 WeakPolarHBondContact CB-OE1 3.49Å; T97-E100 VanDerWaalsContact CG2-OE1 3.27Å; T97-E100 WeakPolarHBondContact CG2-OE1 3.39Å; T97-E100 VanDerWaalsContact O-CB 3.23Å; T97-E100 WeakPolarHBondContact O-CB 3.29Å; T97-E100 VanDerWaalsContact O-CG 3.3Å; T97-E100 WeakPolarHBondContact O-CG 3.41Å; T97-E100 PolarHBondContact O-N 3.23Å; E100-I102 VanDerWaalsContact C-N 3.26Å; E100-I102 PolarHBondContact O-N 2.92Å; E100-V103 PolarHBondContact O-N 3Å; E100-A104 WeakPolarHBondContact O-CB 3.38Å; E100-A104 PolarHBondContact O-N 2.99Å
101	P	97.3	Very high	97.3	Very high	56 Å²	56	45.4 Å²	45.4	36%	0.364	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-33.3	178.8	25.8	-36	0	0	0	112	V98 A105 I117	V98-P101 WeakPolarHBondContact O-CD 3.48Å; P101-A105 WeakPolarHBondContact O-CB 3.26Å; P101-A105 PolarHBondContact O-N 3.49Å; P101-I117 HydrophobicContact CB-CD1 3.74Å; P101-I117 HydrophobicContact CB-CG1 4.17Å; P101-I117 HydrophobicContact CB-CG2 4.27Å; P101-I117 HydrophobicContact CG-CG2 4.15Å; P101-I117 WeakPolarHBondContact O-CD1 3.39Å
102	I	97.4	Very high	97.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-50.4	175.8	-59.4	176	0	0	0	110	F99 E100 A104 A105 V106 F114 I117 M118 F125 L133	F99-I102 WeakPolarHBondContact O-CA 3.49Å; F99-I102 WeakPolarHBondContact O-CB 3.28Å; F99-I102 PolarHBondContact O-N 3.42Å; F99-I102 VanDerWaalsContact O-N 3.08Å; E100-I102 VanDerWaalsContact C-N 3.26Å; E100-I102 PolarHBondContact O-N 2.92Å; I102-A104 VanDerWaalsContact C-N 3.31Å; I102-A104 PolarHBondContact O-N 3.49Å; I102-A105 PolarHBondContact O-N 3.23Å; I102-V106 HydrophobicContact CG2-CG2 4.39Å; I102-V106 WeakPolarHBondContact O-CG2 3.36Å; I102-V106 PolarHBondContact O-N 3.1Å; I102-F114 HydrophobicContact CG2-CD2 4.24Å; I102-F114 HydrophobicContact CG2-CE2 3.8Å; I102-I117 HydrophobicContact CD1-CG2 4.41Å; I102-I117 HydrophobicContact CG1-CG2 3.59Å; I102-M118 HydrophobicContact CD1-SD 3.96Å; I102-M118 HydrophobicContact CG1-SD 4.48Å; I102-F125 HydrophobicContact CD1-CE1 4.45Å; I102-F125 HydrophobicContact CD1-CE2 3.57Å; I102-F125 HydrophobicContact CD1-CZ 3.52Å; I102-L133 HydrophobicContact CD1-CD1 4.15Å; I102-L133 HydrophobicContact CD1-CD2 4.4Å; I102-L133 HydrophobicContact CG2-CD2 4.35Å
103	V	97.6	Very high	97.4	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-43.1	179.4	171.7	0	0	0	0	110.4	I80 M85 P86 F99 E100 V106 R107	I80-V103 HydrophobicContact CD1-CG2 4.12Å; M85-V103 HydrophobicContact CB-CG1 4.21Å; M85-V103 HydrophobicContact CG-CG1 4.41Å; M85-V103 HydrophobicContact SD-CG1 3.99Å; P86-V103 HydrophobicContact CG-CG1 4.39Å; P86-V103 HydrophobicContact CG-CG2 3.54Å; F99-V103 HydrophobicContact CB-CG2 4.46Å; F99-V103 VanDerWaalsContact O-CG2 3.28Å; F99-V103 WeakPolarHBondContact O-CG2 3.36Å; F99-V103 PolarHBondContact O-N 3.18Å; E100-V103 PolarHBondContact O-N 3Å; V103-V106 PolarHBondContact O-N 3.31Å; V103-R107 WeakPolarHBondContact O-CB 3.04Å; V103-R107 PolarHBondContact O-N 3.01Å
104	A	97.9	Very high	97.4	Very high	32 Å²	32	35.6 Å²	35.6	26%	0.264	19%	0.19	S	C	.	.	H	α-helix	trans	-61.2	-46.9	175.4	0	0	0	0	0	111.7	E100 I102 R107 L108	E100-A104 WeakPolarHBondContact O-CB 3.38Å; E100-A104 PolarHBondContact O-N 2.99Å; I102-A104 VanDerWaalsContact C-N 3.31Å; I102-A104 PolarHBondContact O-N 3.49Å; A104-R107 PolarHBondContact O-N 3.36Å; A104-L108 WeakPolarHBondContact O-CB 3.01Å; A104-L108 VanDerWaalsContact O-CG 3.29Å; A104-L108 WeakPolarHBondContact O-CG 3.35Å; A104-L108 PolarHBondContact O-N 2.7Å
105	A	98.3	Very high	97.5	Very high	5 Å²	5	36.1 Å²	36.1	4%	0.041	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-46.3	178.5	0	0	0	0	0	111.9	P101 I102 L108 G109 N110 A113 F114 I117 C140	P101-A105 WeakPolarHBondContact O-CB 3.26Å; P101-A105 PolarHBondContact O-N 3.49Å; I102-A105 PolarHBondContact O-N 3.23Å; A105-L108 PolarHBondContact O-N 2.99Å; A105-G109 PolarHBondContact O-N 3.19Å; A105-N110 PolarHBondContact O-N 3.28Å; A105-A113 HydrophobicContact CB-CB 4.37Å; A105-F114 HydrophobicContact CB-CB 3.95Å; A105-F114 HydrophobicContact CB-CD2 4.47Å; A105-I117 HydrophobicContact CB-CD1 4.13Å; A105-C140 PolarHBondContact O-SG 2.91Å; A105-C140 VanDerWaalsContact O-SG 3.37Å
106	V	98.1	Very high	97.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-46.2	177.4	176.6	0	0	0	0	111.1	I80 M85 I102 V103 L108 G109 F114 L136 V139 N143	I80-V106 HydrophobicContact CG2-CG1 3.96Å; M85-V106 HydrophobicContact CE-CB 4.48Å; M85-V106 HydrophobicContact CE-CG1 3.83Å; I102-V106 HydrophobicContact CG2-CG2 4.39Å; I102-V106 WeakPolarHBondContact O-CG2 3.36Å; I102-V106 PolarHBondContact O-N 3.1Å; V103-V106 PolarHBondContact O-N 3.31Å; V106-L108 VanDerWaalsContact C-N 3.3Å; V106-L108 PolarHBondContact O-N 3.07Å; V106-G109 PolarHBondContact O-N 3.39Å; V106-F114 HydrophobicContact CG2-CD2 3.78Å; V106-F114 HydrophobicContact CG2-CE2 3.78Å; V106-L136 HydrophobicContact CG2-CB 4.29Å; V106-V139 HydrophobicContact CG1-CB 4.08Å; V106-V139 HydrophobicContact CG1-CG1 3.67Å; V106-N143 PolarHBondContact O-ND2 2.92Å
107	R	97	Very high	97.6	Very high	158 Å²	158	38.7 Å²	38.7	60%	0.596	20%	0.203	S	C	*	.	H	α-helix	trans	-60.5	-40.3	178	-177.5	175.4	66.2	-169.3	-0.4	111.8	M85 V103 A104	M85-R107 HydrophobicContact CE-CB 4.45Å; V103-R107 WeakPolarHBondContact O-CB 3.04Å; V103-R107 PolarHBondContact O-N 3.01Å; A104-R107 PolarHBondContact O-N 3.36Å
108	L	97.3	Very high	97.6	Very high	92 Å²	92	35.7 Å²	35.7	48%	0.482	18%	0.184	S	C	.	.	H	α-helix	trans	-78.9	-17.4	179	-70.1	174.6	0	0	0	113.4	A104 A105 V106 N110 K147	A104-L108 WeakPolarHBondContact O-CB 3.01Å; A104-L108 VanDerWaalsContact O-CG 3.29Å; A104-L108 WeakPolarHBondContact O-CG 3.35Å; A104-L108 PolarHBondContact O-N 2.7Å; A105-L108 PolarHBondContact O-N 2.99Å; V106-L108 VanDerWaalsContact C-N 3.3Å; V106-L108 PolarHBondContact O-N 3.07Å; L108-N110 VanDerWaalsContact C-N 3.28Å; L108-N110 HydrophobicContact CB-CB 4.36Å; L108-K147 WeakPolarHBondContact O-CE 3.32Å; L108-K147 PolarHBondContact O-NZ 3.39Å
109	G	98.2	Very high	97.6	Very high	1 Å²	1	41 Å²	41	1%	0.01	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	28	-168.3	0	0	0	0	0	112.4	A105 V106 V111 C140 L144	A105-G109 PolarHBondContact O-N 3.19Å; V106-G109 PolarHBondContact O-N 3.39Å; G109-V111 PolarHBondContact O-N 2.82Å; G109-C140 VanDerWaalsContact CA-O 3.3Å; G109-C140 WeakPolarHBondContact CA-O 3.32Å; G109-C140 VanDerWaalsContact CA-SG 3.53Å; G109-L144 WeakPolarHBondContact O-CB 3.47Å
110	N	98.5	Very high	97.6	Very high	56 Å²	56	44.8 Å²	44.8	30%	0.299	23%	0.232	S	C	.	.			trans	-87.3	88	178.5	-169.4	-26.8	0	0	0	110.4	A105 L108 A113 F114 C140 T169	A105-N110 PolarHBondContact O-N 3.28Å; L108-N110 VanDerWaalsContact C-N 3.28Å; L108-N110 HydrophobicContact CB-CB 4.36Å; N110-A113 HydrophobicContact CB-CB 4.01Å; N110-A113 PolarHBondContact O-N 2.94Å; N110-A113 VanDerWaalsContact OD1-CB 3.24Å; N110-A113 WeakPolarHBondContact OD1-CB 3.37Å; N110-A113 PolarHBondContact OD1-N 3.31Å; N110-F114 WeakPolarHBondContact O-CB 3.2Å; N110-F114 PolarHBondContact O-N 2.95Å; N110-C140 PolarHBondContact N-SG 3.15Å; N110-C140 VanDerWaalsContact N-SG 3.35Å; N110-T169 WeakPolarHBondContact OD1-CB 3.3Å
111	V	98.2	Very high	97.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-44.9	-175	-176.7	0	0	0	0	112	G109 A113 F114 E115 K137 C140 Y141 L144	G109-V111 PolarHBondContact O-N 2.82Å; V111-A113 PolarHBondContact O-N 3.45Å; V111-F114 WeakPolarHBondContact O-CB 3.48Å; V111-F114 PolarHBondContact O-N 3.22Å; V111-E115 WeakPolarHBondContact O-CG 3.49Å; V111-E115 PolarHBondContact O-N 3.44Å; V111-K137 HydrophobicContact CG1-CG 4.11Å; V111-C140 HydrophobicContact CG2-CB 4.26Å; V111-Y141 HydrophobicContact CB-CE1 4.37Å; V111-Y141 HydrophobicContact CG1-CD1 4.48Å; V111-Y141 HydrophobicContact CG1-CE1 3.91Å; V111-Y141 HydrophobicContact CG1-CE2 3.96Å; V111-Y141 HydrophobicContact CG2-CD1 3.7Å; V111-Y141 HydrophobicContact CG2-CD2 4.49Å; V111-Y141 HydrophobicContact CG2-CE1 3.86Å; V111-Y141 HydrophobicContact CG2-CG 4.03Å; V111-L144 HydrophobicContact CG2-CD2 4.19Å
112	G	98.2	Very high	97.3	Very high	8 Å²	8	42.3 Å²	42.3	8%	0.082	22%	0.22	C	C	.	.	H	α-helix	trans	-64.9	-39.2	178.5	0	0	0	0	0	113.4	E115 K116 T169	G112-E115 PolarHBondContact O-N 3.34Å; G112-K116 PolarHBondContact O-N 3.49Å; G112-T169 WeakPolarHBondContact CA-O 3.46Å; G112-T169 PolarHBondContact N-OG1 3.16Å; G112-T169 VanDerWaalsContact N-OG1 3.11Å
113	A	98.2	Very high	97.2	Very high	30 Å²	30	50.7 Å²	50.7	25%	0.248	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-45.6	171.8	0	0	0	0	0	111.1	A105 N110 V111 E115 K116 I117	A105-A113 HydrophobicContact CB-CB 4.37Å; N110-A113 HydrophobicContact CB-CB 4.01Å; N110-A113 PolarHBondContact O-N 2.94Å; N110-A113 VanDerWaalsContact OD1-CB 3.24Å; N110-A113 WeakPolarHBondContact OD1-CB 3.37Å; N110-A113 PolarHBondContact OD1-N 3.31Å; V111-A113 PolarHBondContact O-N 3.45Å; A113-E115 PolarHBondContact O-N 2.65Å; A113-K116 PolarHBondContact O-N 2.87Å; A113-I117 HydrophobicContact CB-CD1 4.45Å; A113-I117 VanDerWaalsContact O-CD1 3.27Å; A113-I117 WeakPolarHBondContact O-CD1 3.28Å; A113-I117 WeakPolarHBondContact O-CG1 3.27Å; A113-I117 PolarHBondContact O-N 2.96Å
114	F	98.3	Very high	96.9	Very high	3 Å²	3	54.9 Å²	54.9	1%	0.013	28%	0.281	C	S	.	.	H	α-helix	trans	-55.2	-49.8	176.6	179.9	-86.3	0	0	0	111.8	I102 A105 V106 N110 V111 K116 I117 M118 L133 L136 K137	I102-F114 HydrophobicContact CG2-CD2 4.24Å; I102-F114 HydrophobicContact CG2-CE2 3.8Å; A105-F114 HydrophobicContact CB-CB 3.95Å; A105-F114 HydrophobicContact CB-CD2 4.47Å; V106-F114 HydrophobicContact CG2-CD2 3.78Å; V106-F114 HydrophobicContact CG2-CE2 3.78Å; N110-F114 WeakPolarHBondContact O-CB 3.2Å; N110-F114 PolarHBondContact O-N 2.95Å; V111-F114 WeakPolarHBondContact O-CB 3.48Å; V111-F114 PolarHBondContact O-N 3.22Å; F114-K116 VanDerWaalsContact C-N 3.34Å; F114-K116 PolarHBondContact O-N 2.97Å; F114-I117 PolarHBondContact O-N 3.09Å; F114-M118 HydrophobicContact CD1-CG 4.03Å; F114-M118 HydrophobicContact CE1-CG 3.54Å; F114-M118 HydrophobicContact CE2-CG 4.22Å; F114-M118 HydrophobicContact CZ-CG 3.64Å; F114-M118 HydrophobicContact CZ-SD 4.14Å; F114-M118 WeakPolarHBondContact O-CB 3.39Å; F114-M118 WeakPolarHBondContact O-CG 3.45Å; F114-M118 PolarHBondContact O-N 3.15Å; F114-L133 VanDerWaalsContact CZ-O 3.28Å; F114-L133 WeakPolarHBondContact CZ-O 3.36Å; F114-L136 HydrophobicContact CE2-CB 3.92Å; F114-L136 HydrophobicContact CZ-CB 3.91Å; F114-K137 HydrophobicContact CD1-CB 4.06Å; F114-K137 HydrophobicContact CD1-CG 4.21Å; F114-K137 HydrophobicContact CE1-CB 3.71Å; F114-K137 HydrophobicContact CE1-CG 4.33Å
115	E	97.5	Very high	96.7	Very high	19 Å²	19	53.3 Å²	53.3	9%	0.089	27%	0.268	C	S	.	.	H	α-helix	trans	-58.9	-43	176.8	-71.4	171.3	-178	0	0	112.4	V111 G112 A113 R119 K137 S171	V111-E115 WeakPolarHBondContact O-CG 3.49Å; V111-E115 PolarHBondContact O-N 3.44Å; G112-E115 PolarHBondContact O-N 3.34Å; A113-E115 PolarHBondContact O-N 2.65Å; E115-R119 WeakPolarHBondContact O-CB 3.41Å; E115-R119 WeakPolarHBondContact O-CG 3.22Å; E115-R119 PolarHBondContact O-N 3.35Å; E115-R119 PolarHBondContact O-NE 3.02Å; E115-K137 WeakPolarHBondContact OE1-CE 3.47Å; E115-K137 IonicContact OE1-NZ 3.87Å; E115-K137 PolarHBondContact OE1-NZ 3.01Å; E115-S171 PolarHBondContact OE1-OG 2.9Å; E115-S171 PolarHBondContact OE2-OG 3.36Å
116	K	97.5	Very high	96.3	Very high	151 Å²	151	58.4 Å²	58.4	66%	0.657	29%	0.292	S	S	*	.	H	α-helix	trans	-64	-45.4	178.2	-175.4	178.5	177.3	-178.4	0	111.4	G112 A113 F114 R119 A120	G112-K116 PolarHBondContact O-N 3.49Å; A113-K116 PolarHBondContact O-N 2.87Å; F114-K116 VanDerWaalsContact C-N 3.34Å; F114-K116 PolarHBondContact O-N 2.97Å; K116-R119 PolarHBondContact O-N 3.45Å; K116-A120 WeakPolarHBondContact O-CB 3.41Å; K116-A120 PolarHBondContact O-N 3.25Å
117	I	97.4	Very high	95.8	Very high	30 Å²	30	63 Å²	63	15%	0.154	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-46.5	179.3	-65.1	155.3	0	0	0	110.4	P101 I102 A105 A113 F114 R119 A120 N121	P101-I117 HydrophobicContact CB-CD1 3.74Å; P101-I117 HydrophobicContact CB-CG1 4.17Å; P101-I117 HydrophobicContact CB-CG2 4.27Å; P101-I117 HydrophobicContact CG-CG2 4.15Å; P101-I117 WeakPolarHBondContact O-CD1 3.39Å; I102-I117 HydrophobicContact CD1-CG2 4.41Å; I102-I117 HydrophobicContact CG1-CG2 3.59Å; A105-I117 HydrophobicContact CB-CD1 4.13Å; A113-I117 HydrophobicContact CB-CD1 4.45Å; A113-I117 VanDerWaalsContact O-CD1 3.27Å; A113-I117 WeakPolarHBondContact O-CD1 3.28Å; A113-I117 WeakPolarHBondContact O-CG1 3.27Å; A113-I117 PolarHBondContact O-N 2.96Å; F114-I117 PolarHBondContact O-N 3.09Å; I117-R119 PolarHBondContact O-N 3.41Å; I117-A120 PolarHBondContact O-N 3.34Å; I117-N121 PolarHBondContact O-N 3.2Å; I117-N121 VanDerWaalsContact O-N 3.08Å; I117-N121 PolarHBondContact O-ND2 2.81Å
118	M	96.8	Very high	95.2	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.015	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-42	179	-73.7	-54.1	-57.6	0	0	112.2	I102 F114 A122 Y130 L133	I102-M118 HydrophobicContact CD1-SD 3.96Å; I102-M118 HydrophobicContact CG1-SD 4.48Å; F114-M118 HydrophobicContact CD1-CG 4.03Å; F114-M118 HydrophobicContact CE1-CG 3.54Å; F114-M118 HydrophobicContact CE2-CG 4.22Å; F114-M118 HydrophobicContact CZ-CG 3.64Å; F114-M118 HydrophobicContact CZ-SD 4.14Å; F114-M118 WeakPolarHBondContact O-CB 3.39Å; F114-M118 WeakPolarHBondContact O-CG 3.45Å; F114-M118 PolarHBondContact O-N 3.15Å; M118-A122 PolarHBondContact O-N 2.69Å; M118-A122 VanDerWaalsContact O-N 3.13Å; M118-Y130 HydrophobicContact CE-CD2 3.64Å; M118-Y130 HydrophobicContact CE-CE2 3.71Å; M118-L133 HydrophobicContact CE-CB 3.49Å; M118-L133 VanDerWaalsContact CE-CB 3.49Å; M118-L133 HydrophobicContact CE-CD1 4.37Å; M118-L133 HydrophobicContact SD-CB 3.92Å
119	R	95.6	Very high	94.8	Very high	147 Å²	147	53.1 Å²	53.1	56%	0.555	28%	0.281	S	S	*	.	H	α-helix	trans	-63.4	-45	174.9	-76.6	-173.8	-66.7	-128.4	-4.9	112.4	E115 K116 I117 N121	E115-R119 WeakPolarHBondContact O-CB 3.41Å; E115-R119 WeakPolarHBondContact O-CG 3.22Å; E115-R119 PolarHBondContact O-N 3.35Å; E115-R119 PolarHBondContact O-NE 3.02Å; K116-R119 PolarHBondContact O-N 3.45Å; I117-R119 PolarHBondContact O-N 3.41Å; R119-N121 VanDerWaalsContact C-N 3.27Å; R119-N121 PolarHBondContact O-N 2.97Å
120	A	96.5	Very high	94.5	Very high	81 Å²	81	55 Å²	55	67%	0.669	29%	0.289	S	S	*	.	H	α-helix	trans	-68.4	-24.4	-177.5	0	0	0	0	0	113.8	K116 I117	K116-A120 WeakPolarHBondContact O-CB 3.41Å; K116-A120 PolarHBondContact O-N 3.25Å; I117-A120 PolarHBondContact O-N 3.34Å
121	N	95.4	Very high	94.1	Very high	47 Å²	47	57.8 Å²	57.8	25%	0.251	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	16.8	-175.9	-62.6	-86.8	0	0	0	112.8	I117 R119 E123 L124 F125	I117-N121 PolarHBondContact O-N 3.2Å; I117-N121 VanDerWaalsContact O-N 3.08Å; I117-N121 PolarHBondContact O-ND2 2.81Å; R119-N121 VanDerWaalsContact C-N 3.27Å; R119-N121 PolarHBondContact O-N 2.97Å; N121-E123 PolarHBondContact O-N 2.87Å; N121-L124 WeakPolarHBondContact O-CB 3.17Å; N121-L124 PolarHBondContact O-N 3.42Å; N121-F125 HydrophobicContact CB-CD2 3.82Å; N121-F125 HydrophobicContact CB-CE2 3.55Å; N121-F125 WeakPolarHBondContact O-CD2 3.44Å; N121-F125 PolarHBondContact O-N 2.96Å
122	A	94.3	Very high	93.7	Very high	18 Å²	18	58.7 Å²	58.7	15%	0.149	31%	0.307	C	S	.	.	H	α-helix	trans	-56.9	-47.2	-173	0	0	0	0	0	112.3	M118 L124 F125 M126 Y130	M118-A122 PolarHBondContact O-N 2.69Å; M118-A122 VanDerWaalsContact O-N 3.13Å; A122-L124 VanDerWaalsContact C-N 3.3Å; A122-L124 PolarHBondContact O-N 3.22Å; A122-F125 PolarHBondContact O-N 2.87Å; A122-M126 WeakPolarHBondContact O-CB 3.47Å; A122-M126 PolarHBondContact O-N 3.32Å; A122-Y130 HydrophobicContact CB-CD2 4.23Å; A122-Y130 HydrophobicContact CB-CE2 3.57Å
123	E	93.9	Very high	93.5	Very high	177 Å²	177	58.3 Å²	58.3	83%	0.827	30%	0.303	S	S	*	.	H	α-helix	trans	-60.7	-37.3	-179.5	-64.5	-176.6	174.9	0	0	112.9	N121 P127	N121-E123 PolarHBondContact O-N 2.87Å; E123-P127 WeakPolarHBondContact O-CD 3.44Å
124	L	92.8	Very high	93.3	Very high	94 Å²	94	60.5 Å²	60.5	49%	0.492	31%	0.31	S	S	.	.	H	α-helix	trans	-65.9	-40.1	179.3	179.9	66.3	0	0	0	112.1	V98 N121 A122	V98-L124 HydrophobicContact CB-CD2 4.02Å; V98-L124 HydrophobicContact CG1-CD2 3.9Å; V98-L124 HydrophobicContact CG2-CD2 3.45Å; V98-L124 VanDerWaalsContact CG2-CD2 3.45Å; N121-L124 WeakPolarHBondContact O-CB 3.17Å; N121-L124 PolarHBondContact O-N 3.42Å; A122-L124 VanDerWaalsContact C-N 3.3Å; A122-L124 PolarHBondContact O-N 3.22Å
125	F	92.5	Very high	93	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-89.2	-20.8	-176.7	-65.3	-61.8	0	0	0	113.4	M73 V98 F99 I102 N121 A122 P127 N128 C129 Y130 L133	M73-F125 HydrophobicContact CE-CD1 4.08Å; V98-F125 HydrophobicContact CB-CZ 4.34Å; V98-F125 HydrophobicContact CG1-CE1 3.9Å; V98-F125 HydrophobicContact CG1-CZ 3.75Å; V98-F125 HydrophobicContact CG2-CE2 4.24Å; V98-F125 HydrophobicContact CG2-CZ 3.82Å; F99-F125 HydrophobicContact CD2-CE1 4.2Å; F99-F125 HydrophobicContact CE1-CE1 4.35Å; F99-F125 AromaticContact CE2-CE1 3.76Å; F99-F125 HydrophobicContact CE2-CE1 3.76Å; F99-F125 HydrophobicContact CZ-CD1 4.4Å; F99-F125 AromaticContact CZ-CE1 3.84Å; F99-F125 HydrophobicContact CZ-CE1 3.84Å; I102-F125 HydrophobicContact CD1-CE1 4.45Å; I102-F125 HydrophobicContact CD1-CE2 3.57Å; I102-F125 HydrophobicContact CD1-CZ 3.52Å; N121-F125 HydrophobicContact CB-CD2 3.82Å; N121-F125 HydrophobicContact CB-CE2 3.55Å; N121-F125 WeakPolarHBondContact O-CD2 3.44Å; N121-F125 PolarHBondContact O-N 2.96Å; A122-F125 PolarHBondContact O-N 2.87Å; F125-P127 VanDerWaalsContact C-N 3.34Å; F125-N128 PolarHBondContact O-N 3.46Å; F125-C129 PolarHBondContact O-N 2.91Å; F125-Y130 HydrophobicContact CB-CD2 4.13Å; F125-Y130 WeakPolarHBondContact O-CB 3.35Å; F125-Y130 PolarHBondContact O-N 3.44Å; F125-L133 HydrophobicContact CB-CD1 4.02Å; F125-L133 HydrophobicContact CD1-CD1 3.39Å; F125-L133 HydrophobicContact CD2-CD1 3.9Å; F125-L133 HydrophobicContact CE1-CD1 3.69Å; F125-L133 HydrophobicContact CE2-CD1 4.17Å; F125-L133 HydrophobicContact CG-CD1 3.5Å; F125-L133 VanDerWaalsContact CG-CD1 3.5Å; F125-L133 HydrophobicContact CZ-CD1 4.06Å
126	M	90.9	Very high	92.9	Very high	112 Å²	112	63.7 Å²	63.7	55%	0.552	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-43.8	-173.8	-158.3	74.1	77.7	0	0	113.7	A122 N128 Y130	A122-M126 WeakPolarHBondContact O-CB 3.47Å; A122-M126 PolarHBondContact O-N 3.32Å; M126-N128 PolarHBondContact O-N 2.83Å; M126-Y130 HydrophobicContact CE-CD1 4.3Å; M126-Y130 HydrophobicContact CE-CE1 4.33Å; M126-Y130 HydrophobicContact SD-CD1 3.64Å; M126-Y130 HydrophobicContact SD-CE1 4.18Å; M126-Y130 HydrophobicContact SD-CG 4.05Å
127	P	86.5	Confident	92.8	Very high	95 Å²	95	58 Å²	58	62%	0.617	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.2	-177.1	-21.2	34.4	0	0	0	114.5	E123 F125	E123-P127 WeakPolarHBondContact O-CD 3.44Å; F125-P127 VanDerWaalsContact C-N 3.34Å
128	N	83.8	Confident	92.8	Very high	43 Å²	43	57.7 Å²	57.7	23%	0.23	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-74.8	-168.8	-63.9	-67.1	0	0	0	112	M73 H74 F125 M126	M73-N128 HydrophobicContact CB-CB 4.46Å; M73-N128 HydrophobicContact CE-CB 3.93Å; M73-N128 HydrophobicContact SD-CB 4.27Å; H74-N128 PolarHBondContact NE2-O 3.37Å; F125-N128 PolarHBondContact O-N 3.46Å; M126-N128 PolarHBondContact O-N 2.83Å
129	C	89.7	Confident	92.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	7.9	-160.9	61	0	0	0	0	114.5	M73 P77 F125 L131 F132 L133	M73-C129 VanDerWaalsContact O-CB 3.24Å; M73-C129 WeakPolarHBondContact O-CB 3.3Å; M73-C129 PolarHBondContact O-SG 2.67Å; M73-C129 VanDerWaalsContact O-SG 3.39Å; P77-C129 HydrophobicContact CG-CB 4.29Å; F125-C129 PolarHBondContact O-N 2.91Å; C129-L131 PolarHBondContact O-N 3.19Å; C129-F132 HydrophobicContact CB-CD2 4.3Å; C129-F132 PolarHBondContact O-N 3.46Å; C129-F132 VanDerWaalsContact O-N 3.09Å; C129-L133 HydrophobicContact CB-CG 4.46Å; C129-L133 WeakPolarHBondContact O-CB 3.44Å; C129-L133 WeakPolarHBondContact O-CG 3.44Å; C129-L133 PolarHBondContact O-N 3.28Å; C129-L133 VanDerWaalsContact SG-CD1 3.54Å
130	Y	92.2	Very high	92.9	Very high	41 Å²	41	50.6 Å²	50.6	16%	0.161	27%	0.27	C	S	.	.	H	α-helix	trans	-52.6	-47.6	-176.1	179.6	-104.4	0	0	0	113.7	M118 A122 F125 M126 F132 L133 L134	M118-Y130 HydrophobicContact CE-CD2 3.64Å; M118-Y130 HydrophobicContact CE-CE2 3.71Å; A122-Y130 HydrophobicContact CB-CD2 4.23Å; A122-Y130 HydrophobicContact CB-CE2 3.57Å; F125-Y130 HydrophobicContact CB-CD2 4.13Å; F125-Y130 WeakPolarHBondContact O-CB 3.35Å; F125-Y130 PolarHBondContact O-N 3.44Å; M126-Y130 HydrophobicContact CE-CD1 4.3Å; M126-Y130 HydrophobicContact CE-CE1 4.33Å; M126-Y130 HydrophobicContact SD-CD1 3.64Å; M126-Y130 HydrophobicContact SD-CE1 4.18Å; M126-Y130 HydrophobicContact SD-CG 4.05Å; Y130-F132 VanDerWaalsContact C-N 3.33Å; Y130-F132 PolarHBondContact O-N 3.03Å; Y130-L133 PolarHBondContact O-N 2.85Å; Y130-L134 HydrophobicContact CE1-CD2 4.47Å; Y130-L134 WeakPolarHBondContact O-CB 3.39Å; Y130-L134 PolarHBondContact O-N 3.39Å
131	L	90	Very high	93	Very high	114 Å²	114	46.9 Å²	46.9	60%	0.597	24%	0.239	S	C	*	.	H	α-helix	trans	-63.1	-39.7	-179.8	-64.1	177.1	0	0	0	112.2	C129 L134 K135	C129-L131 PolarHBondContact O-N 3.19Å; L131-L134 PolarHBondContact O-N 3.05Å; L131-K135 PolarHBondContact O-N 2.99Å
132	F	90.6	Very high	93.1	Very high	20 Å²	20	45.7 Å²	45.7	9%	0.088	23%	0.231	C	C	.	.	H	α-helix	trans	-72.3	-37.4	179	-49.7	-51.9	0	0	0	111.6	L41 Y42 P77 Y81 C129 Y130	L41-F132 HydrophobicContact CD1-CB 4.17Å; L41-F132 HydrophobicContact CD1-CD1 4Å; L41-F132 HydrophobicContact CD1-CD2 4.5Å; L41-F132 HydrophobicContact CD1-CG 3.96Å; L41-F132 HydrophobicContact CD2-CB 4.32Å; L41-F132 HydrophobicContact CD2-CD1 4.27Å; L41-F132 HydrophobicContact CD2-CD2 3.4Å; L41-F132 VanDerWaalsContact CD2-CD2 3.4Å; L41-F132 HydrophobicContact CD2-CE2 3.68Å; L41-F132 HydrophobicContact CD2-CG 3.73Å; L41-F132 HydrophobicContact CD2-CZ 4.23Å; L41-F132 HydrophobicContact CG-CB 4.36Å; L41-F132 HydrophobicContact CG-CD1 3.7Å; L41-F132 HydrophobicContact CG-CD2 3.78Å; L41-F132 HydrophobicContact CG-CE1 3.87Å; L41-F132 HydrophobicContact CG-CE2 3.93Å; L41-F132 HydrophobicContact CG-CG 3.66Å; L41-F132 HydrophobicContact CG-CZ 3.97Å; Y42-F132 HydrophobicContact CD2-CE1 4.5Å; P77-F132 HydrophobicContact CB-CB 4.35Å; Y81-F132 PolarHBondContact OH-O 2.84Å; C129-F132 HydrophobicContact CB-CD2 4.3Å; C129-F132 PolarHBondContact O-N 3.46Å; C129-F132 VanDerWaalsContact O-N 3.09Å; Y130-F132 VanDerWaalsContact C-N 3.33Å; Y130-F132 PolarHBondContact O-N 3.03Å
133	L	94	Very high	93.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-48.8	171.9	-78.1	177.2	0	0	0	110.4	P77 F99 I102 F114 M118 F125 C129 Y130 K135 L136	P77-L133 HydrophobicContact CG-CD2 3.92Å; P77-L133 HydrophobicContact CG-CG 4.23Å; F99-L133 HydrophobicContact CD1-CD2 4.27Å; F99-L133 HydrophobicContact CE1-CD1 4.09Å; F99-L133 HydrophobicContact CE1-CD2 3.81Å; F99-L133 HydrophobicContact CE1-CG 4.4Å; F99-L133 HydrophobicContact CZ-CD1 4.43Å; I102-L133 HydrophobicContact CD1-CD1 4.15Å; I102-L133 HydrophobicContact CD1-CD2 4.4Å; I102-L133 HydrophobicContact CG2-CD2 4.35Å; F114-L133 VanDerWaalsContact CZ-O 3.28Å; F114-L133 WeakPolarHBondContact CZ-O 3.36Å; M118-L133 HydrophobicContact CE-CB 3.49Å; M118-L133 VanDerWaalsContact CE-CB 3.49Å; M118-L133 HydrophobicContact CE-CD1 4.37Å; M118-L133 HydrophobicContact SD-CB 3.92Å; F125-L133 HydrophobicContact CB-CD1 4.02Å; F125-L133 HydrophobicContact CD1-CD1 3.39Å; F125-L133 HydrophobicContact CD2-CD1 3.9Å; F125-L133 HydrophobicContact CE1-CD1 3.69Å; F125-L133 HydrophobicContact CE2-CD1 4.17Å; F125-L133 HydrophobicContact CG-CD1 3.5Å; F125-L133 VanDerWaalsContact CG-CD1 3.5Å; F125-L133 HydrophobicContact CZ-CD1 4.06Å; C129-L133 HydrophobicContact CB-CG 4.46Å; C129-L133 WeakPolarHBondContact O-CB 3.44Å; C129-L133 WeakPolarHBondContact O-CG 3.44Å; C129-L133 PolarHBondContact O-N 3.28Å; C129-L133 VanDerWaalsContact SG-CD1 3.54Å; Y130-L133 PolarHBondContact O-N 2.85Å; L133-K135 PolarHBondContact O-N 2.95Å; L133-K135 VanDerWaalsContact O-N 3.15Å; L133-L136 HydrophobicContact CD2-CD1 3.65Å; L133-L136 WeakPolarHBondContact O-CA 3.49Å; L133-L136 WeakPolarHBondContact O-CB 3.35Å; L133-L136 PolarHBondContact O-N 3.19Å
134	L	93.4	Very high	93.5	Very high	76 Å²	76	38.3 Å²	38.3	40%	0.398	19%	0.194	S	C	.	.	H	α-helix	trans	-53.6	-41.1	-178.5	-173.5	66	0	0	0	112.2	Y130 L131 L136 K137	Y130-L134 HydrophobicContact CE1-CD2 4.47Å; Y130-L134 WeakPolarHBondContact O-CB 3.39Å; Y130-L134 PolarHBondContact O-N 3.39Å; L131-L134 PolarHBondContact O-N 3.05Å; L134-L136 PolarHBondContact O-N 2.85Å; L134-K137 VanDerWaalsContact O-CB 3.29Å; L134-K137 WeakPolarHBondContact O-CB 3.33Å; L134-K137 PolarHBondContact O-N 3.47Å
135	K	91.9	Very high	93.8	Very high	89 Å²	89	33.8 Å²	33.8	39%	0.387	17%	0.171	S	C	.	.	H	α-helix	trans	-65.2	-19.2	176.3	-75.4	-174.6	176.8	-166.1	0	114	Y81 L131 L133 K137 M138	Y81-K135 WeakPolarHBondContact OH-CA 3.39Å; Y81-K135 WeakPolarHBondContact OH-CB 3.37Å; L131-K135 PolarHBondContact O-N 2.99Å; L133-K135 PolarHBondContact O-N 2.95Å; L133-K135 VanDerWaalsContact O-N 3.15Å; K135-K137 PolarHBondContact O-N 3.45Å; K135-K137 VanDerWaalsContact O-N 3.07Å; K135-M138 PolarHBondContact O-N 3.41Å; K135-M138 VanDerWaalsContact O-N 3.12Å
136	L	95.3	Very high	94.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.1	173.6	-66.8	175.1	0	0	0	112.5	I80 Y81 V106 F114 L133 L134 M138 V139 C140	I80-L136 HydrophobicContact CB-CD1 4.47Å; I80-L136 HydrophobicContact CB-CD2 4.07Å; I80-L136 HydrophobicContact CD1-CD1 4.05Å; I80-L136 HydrophobicContact CG2-CD1 4.26Å; I80-L136 HydrophobicContact CG2-CD2 3.67Å; Y81-L136 HydrophobicContact CD1-CD2 3.94Å; Y81-L136 HydrophobicContact CD2-CD2 3.85Å; Y81-L136 HydrophobicContact CE1-CD2 3.66Å; Y81-L136 HydrophobicContact CE1-CG 4.5Å; Y81-L136 HydrophobicContact CE2-CD2 3.54Å; Y81-L136 HydrophobicContact CE2-CG 4.1Å; Y81-L136 HydrophobicContact CG-CD2 4.01Å; Y81-L136 VanDerWaalsContact CZ-CD2 3.41Å; Y81-L136 PolarHBondContact OH-N 3.17Å; V106-L136 HydrophobicContact CG2-CB 4.29Å; F114-L136 HydrophobicContact CE2-CB 3.92Å; F114-L136 HydrophobicContact CZ-CB 3.91Å; L133-L136 HydrophobicContact CD2-CD1 3.65Å; L133-L136 WeakPolarHBondContact O-CA 3.49Å; L133-L136 WeakPolarHBondContact O-CB 3.35Å; L133-L136 PolarHBondContact O-N 3.19Å; L134-L136 PolarHBondContact O-N 2.85Å; L136-M138 PolarHBondContact O-N 3.5Å; L136-V139 HydrophobicContact CD2-CG2 3.9Å; L136-V139 WeakPolarHBondContact O-CB 3.41Å; L136-V139 PolarHBondContact O-N 2.84Å; L136-C140 PolarHBondContact O-N 2.86Å
137	K	96.3	Very high	94.4	Very high	30 Å²	30	36.2 Å²	36.2	13%	0.13	18%	0.178	C	C	.	.	H	α-helix	trans	-49.7	-39.4	168.2	-166.4	-173.3	-173.3	-176.5	0	111.4	V111 F114 E115 L134 K135 C140 Y141 E173	V111-K137 HydrophobicContact CG1-CG 4.11Å; F114-K137 HydrophobicContact CD1-CB 4.06Å; F114-K137 HydrophobicContact CD1-CG 4.21Å; F114-K137 HydrophobicContact CE1-CB 3.71Å; F114-K137 HydrophobicContact CE1-CG 4.33Å; E115-K137 WeakPolarHBondContact OE1-CE 3.47Å; E115-K137 IonicContact OE1-NZ 3.87Å; E115-K137 PolarHBondContact OE1-NZ 3.01Å; L134-K137 VanDerWaalsContact O-CB 3.29Å; L134-K137 WeakPolarHBondContact O-CB 3.33Å; L134-K137 PolarHBondContact O-N 3.47Å; K135-K137 PolarHBondContact O-N 3.45Å; K135-K137 VanDerWaalsContact O-N 3.07Å; K137-C140 WeakPolarHBondContact O-CA 3.44Å; K137-C140 WeakPolarHBondContact O-CB 3.5Å; K137-C140 PolarHBondContact O-N 3.47Å; K137-C140 VanDerWaalsContact O-N 3.13Å; K137-Y141 HydrophobicContact CD-CE2 3.81Å; K137-Y141 VanDerWaalsContact CE-CE2 3.49Å; K137-Y141 WeakPolarHBondContact CE-OH 3.41Å; K137-Y141 HydrophobicContact CG-CD2 4.05Å; K137-Y141 HydrophobicContact CG-CE2 3.72Å; K137-Y141 PolarHBondContact NZ-OH 3.32Å; K137-Y141 VanDerWaalsContact O-CD2 3.28Å; K137-Y141 WeakPolarHBondContact O-CD2 3.24Å; K137-Y141 PolarHBondContact O-N 2.82Å; K137-E173 IonicContact NZ-OE1 2.65Å; K137-E173 PolarHBondContact NZ-OE1 2.91Å; K137-E173 IonicContact NZ-OE2 2.75Å; K137-E173 PolarHBondContact NZ-OE2 3.31Å
138	M	95.9	Very high	95	Very high	25 Å²	25	32.3 Å²	32.3	12%	0.123	15%	0.153	C	C	.	.	H	α-helix	trans	-69.4	-34.3	179.4	-66.8	-65.7	-70.3	0	0	112.9	K135 L136 C140 Y141 R142 T182 N185 L186 W219 Y221	K135-M138 PolarHBondContact O-N 3.41Å; K135-M138 VanDerWaalsContact O-N 3.12Å; L136-M138 PolarHBondContact O-N 3.5Å; M138-C140 VanDerWaalsContact C-N 3.28Å; M138-C140 PolarHBondContact O-N 3.48Å; M138-Y141 PolarHBondContact O-N 3.49Å; M138-Y141 HydrophobicContact SD-CD2 4.18Å; M138-R142 WeakPolarHBondContact O-CB 3.41Å; M138-R142 PolarHBondContact O-N 3.41Å; M138-T182 HydrophobicContact CE-CG2 4.26Å; M138-T182 HydrophobicContact SD-CG2 4.1Å; M138-N185 HydrophobicContact CE-CB 3.59Å; M138-L186 HydrophobicContact CE-CD2 3.81Å; M138-L186 HydrophobicContact CE-CG 3.85Å; M138-W219 HydrophobicContact CB-CE3 4.46Å; M138-W219 HydrophobicContact CB-CH2 4.06Å; M138-W219 HydrophobicContact CB-CZ3 3.49Å; M138-W219 VanDerWaalsContact CB-CZ3 3.49Å; M138-Y221 WeakPolarHBondContact CG-OH 3.46Å
139	V	97.2	Very high	95.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-38.9	170.5	-173.2	0	0	0	0	110.3	Y81 V106 L136 R142 N143 L214 W219	Y81-V139 HydrophobicContact CD1-CG2 3.84Å; Y81-V139 HydrophobicContact CE1-CG2 3.92Å; V106-V139 HydrophobicContact CG1-CB 4.08Å; V106-V139 HydrophobicContact CG1-CG1 3.67Å; L136-V139 HydrophobicContact CD2-CG2 3.9Å; L136-V139 WeakPolarHBondContact O-CB 3.41Å; L136-V139 PolarHBondContact O-N 2.84Å; V139-R142 PolarHBondContact O-N 3.27Å; V139-N143 WeakPolarHBondContact O-CB 3.45Å; V139-N143 VanDerWaalsContact O-CG 3.26Å; V139-N143 PolarHBondContact O-N 3.39Å; V139-N143 PolarHBondContact O-ND2 3.12Å; V139-L214 HydrophobicContact CG1-CD1 3.67Å; V139-W219 HydrophobicContact CB-CH2 4.38Å; V139-W219 HydrophobicContact CG2-CH2 3.65Å; V139-W219 HydrophobicContact CG2-CZ2 3.58Å
140	C	97.7	Very high	96.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62	-49.1	175.8	-159.7	0	0	0	0	111.5	A105 G109 N110 V111 L136 K137 M138 R142 N143 L144	A105-C140 PolarHBondContact O-SG 2.91Å; A105-C140 VanDerWaalsContact O-SG 3.37Å; G109-C140 VanDerWaalsContact CA-O 3.3Å; G109-C140 WeakPolarHBondContact CA-O 3.32Å; G109-C140 VanDerWaalsContact CA-SG 3.53Å; N110-C140 PolarHBondContact N-SG 3.15Å; N110-C140 VanDerWaalsContact N-SG 3.35Å; V111-C140 HydrophobicContact CG2-CB 4.26Å; L136-C140 PolarHBondContact O-N 2.86Å; K137-C140 WeakPolarHBondContact O-CA 3.44Å; K137-C140 WeakPolarHBondContact O-CB 3.5Å; K137-C140 PolarHBondContact O-N 3.47Å; K137-C140 VanDerWaalsContact O-N 3.13Å; M138-C140 VanDerWaalsContact C-N 3.28Å; M138-C140 PolarHBondContact O-N 3.48Å; C140-R142 PolarHBondContact O-N 2.8Å; C140-N143 PolarHBondContact O-N 3.17Å; C140-L144 PolarHBondContact O-N 3.23Å
141	Y	98.4	Very high	96.3	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-57	-48.5	173.5	-80.2	-67.1	0	0	0	112.2	V111 K137 M138 N143 L144 F145 V166 E173 T182	V111-Y141 HydrophobicContact CB-CE1 4.37Å; V111-Y141 HydrophobicContact CG1-CD1 4.48Å; V111-Y141 HydrophobicContact CG1-CE1 3.91Å; V111-Y141 HydrophobicContact CG1-CE2 3.96Å; V111-Y141 HydrophobicContact CG2-CD1 3.7Å; V111-Y141 HydrophobicContact CG2-CD2 4.49Å; V111-Y141 HydrophobicContact CG2-CE1 3.86Å; V111-Y141 HydrophobicContact CG2-CG 4.03Å; K137-Y141 HydrophobicContact CD-CE2 3.81Å; K137-Y141 VanDerWaalsContact CE-CE2 3.49Å; K137-Y141 WeakPolarHBondContact CE-OH 3.41Å; K137-Y141 HydrophobicContact CG-CD2 4.05Å; K137-Y141 HydrophobicContact CG-CE2 3.72Å; K137-Y141 PolarHBondContact NZ-OH 3.32Å; K137-Y141 VanDerWaalsContact O-CD2 3.28Å; K137-Y141 WeakPolarHBondContact O-CD2 3.24Å; K137-Y141 PolarHBondContact O-N 2.82Å; M138-Y141 PolarHBondContact O-N 3.49Å; M138-Y141 HydrophobicContact SD-CD2 4.18Å; Y141-N143 VanDerWaalsContact C-N 3.28Å; Y141-N143 PolarHBondContact O-N 2.49Å; Y141-L144 WeakPolarHBondContact O-CB 3.24Å; Y141-L144 PolarHBondContact O-N 2.93Å; Y141-L144 VanDerWaalsContact O-N 3.15Å; Y141-F145 HydrophobicContact CD1-CE1 4.12Å; Y141-F145 HydrophobicContact CD1-CE2 4.27Å; Y141-F145 AromaticContact CD1-CZ 3.66Å; Y141-F145 HydrophobicContact CD1-CZ 3.66Å; Y141-F145 HydrophobicContact CE1-CZ 4.41Å; Y141-F145 HydrophobicContact CG-CZ 4.38Å; Y141-F145 WeakPolarHBondContact O-CB 3.42Å; Y141-F145 WeakPolarHBondContact O-CG 3.41Å; Y141-F145 PolarHBondContact O-N 3.46Å; Y141-V166 HydrophobicContact CD1-CG2 4.05Å; Y141-V166 HydrophobicContact CE1-CG1 3.95Å; Y141-V166 HydrophobicContact CE1-CG2 3.75Å; Y141-E173 PolarHBondContact OH-OE2 3.09Å; Y141-T182 HydrophobicContact CD1-CG2 3.87Å; Y141-T182 HydrophobicContact CD2-CG2 3.61Å; Y141-T182 HydrophobicContact CE1-CG2 4.27Å; Y141-T182 HydrophobicContact CE2-CG2 4.03Å; Y141-T182 HydrophobicContact CG-CG2 3.53Å
142	R	98	Very high	96.6	Very high	22 Å²	22	39 Å²	39	8%	0.083	19%	0.19	C	C	.	.	H	α-helix	trans	-54	-46.5	176.5	-178.9	-83.1	-177	-175.1	4.1	111.4	M138 V139 C140 F145 K146 L186 Q191 F211 P212	M138-R142 WeakPolarHBondContact O-CB 3.41Å; M138-R142 PolarHBondContact O-N 3.41Å; V139-R142 PolarHBondContact O-N 3.27Å; C140-R142 PolarHBondContact O-N 2.8Å; R142-F145 PolarHBondContact O-N 2.98Å; R142-K146 WeakPolarHBondContact O-CB 3.35Å; R142-K146 PolarHBondContact O-N 3.3Å; R142-L186 HydrophobicContact CB-CD1 4.29Å; R142-L186 HydrophobicContact CB-CD2 4.02Å; R142-Q191 HydrophobicContact CG-CB 4.13Å; R142-F211 HydrophobicContact CG-CD1 4.14Å; R142-F211 PolarHBondContact NH2-O 3.18Å; R142-F211 VanDerWaalsContact NH2-O 3.08Å; R142-P212 PolarHBondContact NH2-O 3.17Å
143	N	98.3	Very high	96.8	Very high	22 Å²	22	44.9 Å²	44.9	12%	0.118	22%	0.222	C	C	.	.	H	α-helix	trans	-68.2	-35.8	-178.7	-71	-16.4	0	0	0	112.3	V106 V139 C140 Y141 K147	V106-N143 PolarHBondContact O-ND2 2.92Å; V139-N143 WeakPolarHBondContact O-CB 3.45Å; V139-N143 VanDerWaalsContact O-CG 3.26Å; V139-N143 PolarHBondContact O-N 3.39Å; V139-N143 PolarHBondContact O-ND2 3.12Å; C140-N143 PolarHBondContact O-N 3.17Å; Y141-N143 VanDerWaalsContact C-N 3.28Å; Y141-N143 PolarHBondContact O-N 2.49Å; N143-K147 PolarHBondContact O-N 2.87Å
144	L	98.6	Very high	96.9	Very high	18 Å²	18	49.3 Å²	49.3	9%	0.094	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-50.3	172.4	-177	58.7	0	0	0	111.5	G109 V111 C140 Y141 K146 K147 V148 A165 V166 T169	G109-L144 WeakPolarHBondContact O-CB 3.47Å; V111-L144 HydrophobicContact CG2-CD2 4.19Å; C140-L144 PolarHBondContact O-N 3.23Å; Y141-L144 WeakPolarHBondContact O-CB 3.24Å; Y141-L144 PolarHBondContact O-N 2.93Å; Y141-L144 VanDerWaalsContact O-N 3.15Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 3Å; L144-K147 WeakPolarHBondContact O-CA 3.37Å; L144-K147 VanDerWaalsContact O-CB 3.32Å; L144-K147 WeakPolarHBondContact O-CB 3.23Å; L144-K147 PolarHBondContact O-N 3.17Å; L144-V148 PolarHBondContact O-N 2.88Å; L144-A165 HydrophobicContact CD1-CB 4.23Å; L144-A165 HydrophobicContact CD2-CB 4.39Å; L144-A165 HydrophobicContact CG-CB 4.29Å; L144-V166 HydrophobicContact CD2-CG2 3.83Å; L144-T169 HydrophobicContact CD1-CG2 4.43Å; L144-T169 HydrophobicContact CD2-CG2 3.89Å
145	F	98.6	Very high	97	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-32.4	-177.5	-63.1	-13.9	0	0	0	112.3	Y141 R142 K147 V148 Y149 F162 V166 V179 T182 L183 L186 F211	Y141-F145 HydrophobicContact CD1-CE1 4.12Å; Y141-F145 HydrophobicContact CD1-CE2 4.27Å; Y141-F145 AromaticContact CD1-CZ 3.66Å; Y141-F145 HydrophobicContact CD1-CZ 3.66Å; Y141-F145 HydrophobicContact CE1-CZ 4.41Å; Y141-F145 HydrophobicContact CG-CZ 4.38Å; Y141-F145 WeakPolarHBondContact O-CB 3.42Å; Y141-F145 WeakPolarHBondContact O-CG 3.41Å; Y141-F145 PolarHBondContact O-N 3.46Å; R142-F145 PolarHBondContact O-N 2.98Å; F145-K147 VanDerWaalsContact C-N 3.26Å; F145-K147 PolarHBondContact O-N 2.93Å; F145-V148 PolarHBondContact O-N 3.15Å; F145-Y149 PolarHBondContact O-N 3.25Å; F145-F162 HydrophobicContact CB-CD1 3.78Å; F145-F162 HydrophobicContact CB-CE1 3.82Å; F145-F162 HydrophobicContact CD1-CB 4.11Å; F145-F162 AromaticContact CD1-CD1 3.54Å; F145-F162 HydrophobicContact CD1-CD1 3.54Å; F145-F162 HydrophobicContact CD1-CE1 4.45Å; F145-F162 HydrophobicContact CD1-CG 4.26Å; F145-F162 HydrophobicContact CD2-CD1 4.44Å; F145-F162 HydrophobicContact CE1-CB 3.92Å; F145-F162 HydrophobicContact CE1-CD1 4.22Å; F145-F162 AromaticContact CG-CD1 3.68Å; F145-F162 HydrophobicContact CG-CD1 3.68Å; F145-F162 HydrophobicContact CG-CE1 4.2Å; F145-F162 HydrophobicContact CZ-CB 4.48Å; F145-V166 HydrophobicContact CE1-CG2 3.63Å; F145-V166 HydrophobicContact CZ-CG2 4.1Å; F145-V179 HydrophobicContact CE1-CG1 4.28Å; F145-V179 HydrophobicContact CZ-CG1 3.84Å; F145-T182 HydrophobicContact CE2-CG2 3.92Å; F145-T182 HydrophobicContact CZ-CG2 4.25Å; F145-L183 HydrophobicContact CD2-CD2 3.53Å; F145-L183 HydrophobicContact CD2-CG 4.26Å; F145-L183 HydrophobicContact CE2-CD2 3.69Å; F145-L183 HydrophobicContact CE2-CG 3.88Å; F145-L183 HydrophobicContact CG-CD2 4.32Å; F145-L186 HydrophobicContact CD2-CD1 3.65Å; F145-L186 HydrophobicContact CE2-CD1 3.89Å; F145-F211 HydrophobicContact CB-CE1 4.14Å; F145-F211 HydrophobicContact CB-CZ 4.2Å
146	K	98.4	Very high	97.3	Very high	78 Å²	78	47 Å²	47	34%	0.339	23%	0.231	S	C	.	.	H	α-helix	trans	-57.9	-40.8	169.3	-175.2	174.5	178.7	175.5	0	111.5	R142 L144 L150 F211	R142-K146 WeakPolarHBondContact O-CB 3.35Å; R142-K146 PolarHBondContact O-N 3.3Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 3Å; K146-L150 HydrophobicContact CG-CD1 4.15Å; K146-L150 VanDerWaalsContact O-CG 3.22Å; K146-L150 WeakPolarHBondContact O-CG 3.41Å; K146-L150 PolarHBondContact O-N 2.98Å; K146-L150 VanDerWaalsContact O-N 3.08Å; K146-F211 HydrophobicContact CB-CD1 3.81Å; K146-F211 HydrophobicContact CB-CD2 4.12Å; K146-F211 HydrophobicContact CB-CE1 3.93Å; K146-F211 HydrophobicContact CB-CE2 4.27Å; K146-F211 HydrophobicContact CB-CG 3.9Å; K146-F211 HydrophobicContact CB-CZ 4.18Å; K146-F211 HydrophobicContact CD-CB 4Å; K146-F211 HydrophobicContact CD-CG 4.24Å; K146-F211 HydrophobicContact CG-CB 4.22Å; K146-F211 HydrophobicContact CG-CD1 4.36Å; K146-F211 HydrophobicContact CG-CD2 3.99Å; K146-F211 HydrophobicContact CG-CE2 4.48Å; K146-F211 HydrophobicContact CG-CG 3.93Å
147	K	98.5	Very high	97.5	Very high	85 Å²	85	47 Å²	47	37%	0.37	23%	0.231	S	C	.	.	H	α-helix	trans	-68	-43.3	176.7	-65.5	174.8	176.9	-174.2	0	111.8	L108 N143 L144 F145 Y149 L150 I151	L108-K147 WeakPolarHBondContact O-CE 3.32Å; L108-K147 PolarHBondContact O-NZ 3.39Å; N143-K147 PolarHBondContact O-N 2.87Å; L144-K147 WeakPolarHBondContact O-CA 3.37Å; L144-K147 VanDerWaalsContact O-CB 3.32Å; L144-K147 WeakPolarHBondContact O-CB 3.23Å; L144-K147 PolarHBondContact O-N 3.17Å; F145-K147 VanDerWaalsContact C-N 3.26Å; F145-K147 PolarHBondContact O-N 2.93Å; K147-Y149 VanDerWaalsContact C-N 3.34Å; K147-Y149 PolarHBondContact O-N 3.17Å; K147-L150 PolarHBondContact O-N 3.28Å; K147-I151 WeakPolarHBondContact O-CD1 3.49Å; K147-I151 VanDerWaalsContact O-CG1 3.26Å; K147-I151 WeakPolarHBondContact O-CG1 3.45Å; K147-I151 PolarHBondContact O-N 2.84Å
148	V	98.4	Very high	97.6	Very high	13 Å²	13	47.1 Å²	47.1	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-55.4	-51.4	175.6	178.2	0	0	0	0	110.1	L144 F145 L150 I151 C152 V157 F162 A165	L144-V148 PolarHBondContact O-N 2.88Å; F145-V148 PolarHBondContact O-N 3.15Å; V148-L150 PolarHBondContact O-N 3.23Å; V148-I151 PolarHBondContact O-N 2.74Å; V148-I151 VanDerWaalsContact O-N 3.16Å; V148-C152 PolarHBondContact O-N 3.35Å; V148-C152 PolarHBondContact O-SG 3.05Å; V148-V157 HydrophobicContact CG1-CG1 4.17Å; V148-F162 HydrophobicContact CB-CD1 3.81Å; V148-F162 HydrophobicContact CB-CE1 3.85Å; V148-F162 HydrophobicContact CG1-CD1 3.73Å; V148-F162 HydrophobicContact CG1-CE1 3.8Å; V148-F162 HydrophobicContact CG1-CG 4.24Å; V148-F162 HydrophobicContact CG1-CZ 4.36Å; V148-F162 HydrophobicContact CG2-CD1 4.17Å; V148-A165 HydrophobicContact CG2-CB 3.37Å
149	Y	98.2	Very high	97.7	Very high	44 Å²	44	46 Å²	46	17%	0.173	23%	0.229	C	C	.	.	H	α-helix	trans	-55.8	-46.9	176.8	167.6	-114.4	0	0	0	113.1	F145 K147 I151 C152 D153 H154 V157 L205 P210 F211	F145-Y149 PolarHBondContact O-N 3.25Å; K147-Y149 VanDerWaalsContact C-N 3.34Å; K147-Y149 PolarHBondContact O-N 3.17Å; Y149-I151 VanDerWaalsContact C-N 3.3Å; Y149-I151 PolarHBondContact O-N 2.94Å; Y149-C152 PolarHBondContact O-N 2.99Å; Y149-D153 PolarHBondContact O-N 3.17Å; Y149-D153 VanDerWaalsContact O-N 3.08Å; Y149-H154 WeakPolarHBondContact CE2-O 3.25Å; Y149-V157 HydrophobicContact CD2-CG2 4.29Å; Y149-L205 HydrophobicContact CD2-CB 4.5Å; Y149-L205 HydrophobicContact CD2-CD1 3.24Å; Y149-L205 HydrophobicContact CD2-CG 4.46Å; Y149-L205 HydrophobicContact CE2-CB 4.4Å; Y149-L205 HydrophobicContact CE2-CD1 3.95Å; Y149-L205 HydrophobicContact CG-CD1 3.67Å; Y149-P210 HydrophobicContact CD1-CG 4.04Å; Y149-P210 HydrophobicContact CE1-CB 4.49Å; Y149-P210 HydrophobicContact CE1-CG 3.37Å; Y149-F211 HydrophobicContact CD1-CD2 4.08Å; Y149-F211 AromaticContact CD1-CE2 3.79Å; Y149-F211 HydrophobicContact CD1-CE2 3.79Å; Y149-F211 AromaticContact CG-CE2 3.93Å; Y149-F211 HydrophobicContact CG-CE2 3.93Å
150	L	97.6	Very high	97.7	Very high	107 Å²	107	51.4 Å²	51.4	56%	0.56	25%	0.254	S	S	*	.	H	α-helix	trans	-65.2	-31.6	179.6	-70.7	171.7	0	0	0	113.1	K146 K147 V148	K146-L150 HydrophobicContact CG-CD1 4.15Å; K146-L150 VanDerWaalsContact O-CG 3.22Å; K146-L150 WeakPolarHBondContact O-CG 3.41Å; K146-L150 PolarHBondContact O-N 2.98Å; K146-L150 VanDerWaalsContact O-N 3.08Å; K147-L150 PolarHBondContact O-N 3.28Å; V148-L150 PolarHBondContact O-N 3.23Å
151	I	97.8	Very high	97.8	Very high	143 Å²	143	56.9 Å²	56.9	73%	0.733	28%	0.276	S	S	*	.	H	α-helix	trans	-76.7	-40.3	177.4	-68.8	164.3	0	0	0	110.8	K147 V148 Y149 D153	K147-I151 WeakPolarHBondContact O-CD1 3.49Å; K147-I151 VanDerWaalsContact O-CG1 3.26Å; K147-I151 WeakPolarHBondContact O-CG1 3.45Å; K147-I151 PolarHBondContact O-N 2.84Å; V148-I151 PolarHBondContact O-N 2.74Å; V148-I151 VanDerWaalsContact O-N 3.16Å; Y149-I151 VanDerWaalsContact C-N 3.3Å; Y149-I151 PolarHBondContact O-N 2.94Å; I151-D153 VanDerWaalsContact C-N 3.26Å; I151-D153 PolarHBondContact O-N 2.93Å
152	C	96.1	Very high	97.8	Very high	44 Å²	44	56.7 Å²	56.7	30%	0.297	28%	0.275	S	S	.	.	H	α-helix	trans	-69.6	-25.2	179	-61.7	0	0	0	0	113	V148 Y149 H154 V157	V148-C152 PolarHBondContact O-N 3.35Å; V148-C152 PolarHBondContact O-SG 3.05Å; Y149-C152 PolarHBondContact O-N 2.99Å; C152-H154 PolarHBondContact O-N 3.24Å; C152-H154 VanDerWaalsContact O-N 3.1Å; C152-V157 HydrophobicContact CB-CG1 4.33Å; C152-V157 HydrophobicContact CB-CG2 4.13Å
153	D	94.5	Very high	97.8	Very high	143 Å²	143	56 Å²	56	77%	0.765	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	35.5	179.2	-161.7	33.7	0	0	0	113.9	Y149 I151	Y149-D153 PolarHBondContact O-N 3.17Å; Y149-D153 VanDerWaalsContact O-N 3.08Å; I151-D153 VanDerWaalsContact C-N 3.26Å; I151-D153 PolarHBondContact O-N 2.93Å
154	H	96	Very high	97.8	Very high	94 Å²	94	57.3 Å²	57.3	44%	0.435	29%	0.288	S	S	.	.	S	Bend	trans	-145.6	144.4	180	-166.3	-98.8	0	0	0	111	Y149 C152 Q156 V157	Y149-H154 WeakPolarHBondContact CE2-O 3.25Å; C152-H154 PolarHBondContact O-N 3.24Å; C152-H154 VanDerWaalsContact O-N 3.1Å; H154-Q156 PolarHBondContact ND1-N 2.87Å; H154-Q156 VanDerWaalsContact ND1-N 3.13Å; H154-Q156 PolarHBondContact ND1-O 3.23Å; H154-V157 WeakPolarHBondContact O-CG2 3.47Å
155	H	96.3	Very high	97.8	Very high	33 Å²	33	57.1 Å²	57.1	15%	0.153	29%	0.289	C	S	.	.	S	Bend	trans	-73.5	-25	-177	70.9	-64.2	0	0	0	114.1	L205 R207	H155-L205 WeakPolarHBondContact O-CB 3.38Å; H155-L205 PolarHBondContact O-N 3.3Å; H155-R207 HydrophobicContact CB-CG 4.26Å; H155-R207 PolarHBondContact CE1-NH2 3.38Å; H155-R207 PolarHBondContact NE2-NH2 3.24Å; H155-R207 VanDerWaalsContact NE2-NH2 3.18Å
156	Q	97.8	Very high	97.8	Very high	84 Å²	84	57.1 Å²	57.1	39%	0.393	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.7	171.4	-56.8	-179.1	36.5	0	0	107.8	H154 V203 V204	H154-Q156 PolarHBondContact ND1-N 2.87Å; H154-Q156 VanDerWaalsContact ND1-N 3.13Å; H154-Q156 PolarHBondContact ND1-O 3.23Å; Q156-V203 WeakPolarHBondContact CA-O 3.25Å; Q156-V204 HydrophobicContact CG-CG1 4.21Å; Q156-V204 HydrophobicContact CG-CG2 4.13Å
157	V	98.3	Very high	97.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.3	-176	-176.9	0	0	0	0	109.1	V148 Y149 C152 H154 Y161 F162 V202 V203 L205	V148-V157 HydrophobicContact CG1-CG1 4.17Å; Y149-V157 HydrophobicContact CD2-CG2 4.29Å; C152-V157 HydrophobicContact CB-CG1 4.33Å; C152-V157 HydrophobicContact CB-CG2 4.13Å; H154-V157 WeakPolarHBondContact O-CG2 3.47Å; V157-Y161 HydrophobicContact CG1-CD2 4.23Å; V157-F162 HydrophobicContact CB-CE2 3.63Å; V157-F162 HydrophobicContact CB-CZ 3.77Å; V157-F162 HydrophobicContact CG1-CD2 4.16Å; V157-F162 HydrophobicContact CG1-CE1 4.47Å; V157-F162 HydrophobicContact CG1-CE2 3.41Å; V157-F162 VanDerWaalsContact CG1-CE2 3.41Å; V157-F162 HydrophobicContact CG1-CZ 3.6Å; V157-F162 HydrophobicContact CG2-CZ 4.41Å; V157-V202 CarbonylContact O-C 3.59Å; V157-V202 WeakPolarHBondContact O-CA 3.32Å; V157-V203 PolarHBondContact N-O 3.36Å; V157-V203 PolarHBondContact O-N 3.15Å; V157-L205 HydrophobicContact CG2-CD1 4.03Å
158	P	98.2	Very high	97.7	Very high	32 Å²	32	64.8 Å²	64.8	21%	0.208	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	137.1	175.6	-26.6	35.4	0	0	0	113.1	E160 Y161 F162 V202	P158-E160 HydrophobicContact CB-CG 3.52Å; P158-E160 PolarHBondContact O-N 3.23Å; P158-Y161 HydrophobicContact CB-CD1 4.11Å; P158-Y161 HydrophobicContact CB-CD2 4.35Å; P158-Y161 HydrophobicContact CB-CE1 4.24Å; P158-Y161 HydrophobicContact CB-CG 4.15Å; P158-Y161 HydrophobicContact CG-CD1 4.42Å; P158-Y161 HydrophobicContact CG-CD2 4.06Å; P158-Y161 HydrophobicContact CG-CE1 4.2Å; P158-Y161 HydrophobicContact CG-CE2 3.86Å; P158-Y161 HydrophobicContact CG-CG 4.35Å; P158-Y161 WeakPolarHBondContact O-CB 3.43Å; P158-Y161 PolarHBondContact O-N 3.28Å; P158-F162 WeakPolarHBondContact O-CD2 3.49Å; P158-V202 HydrophobicContact CG-CG1 4.43Å
159	I	98.2	Very high	97.7	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-58.2	-37	176.7	-66.4	171.6	0	0	0	110.3	Y161 F162 A163 E180 L183 I196 Q201 V203	I159-Y161 PolarHBondContact O-N 3.08Å; I159-F162 WeakPolarHBondContact O-CB 3.46Å; I159-F162 PolarHBondContact O-N 2.91Å; I159-F162 VanDerWaalsContact O-N 3.1Å; I159-A163 PolarHBondContact O-N 3.29Å; I159-E180 HydrophobicContact CD1-CB 4.4Å; I159-E180 HydrophobicContact CD1-CG 4.06Å; I159-E180 HydrophobicContact CG2-CB 4.38Å; I159-L183 HydrophobicContact CG2-CD1 4.49Å; I159-I196 HydrophobicContact CD1-CG2 4.04Å; I159-Q201 WeakPolarHBondContact CG1-O 3.16Å; I159-Q201 PolarHBondContact N-O 3Å; I159-V203 HydrophobicContact CG1-CG2 4.01Å
160	E	98	Very high	97.7	Very high	114 Å²	114	66 Å²	66	53%	0.533	35%	0.351	S	S	.	.	H	α-helix	trans	-56.6	-29.7	176.1	55	166.1	-156.7	0	0	113.8	P158 A163 A164	P158-E160 HydrophobicContact CB-CG 3.52Å; P158-E160 PolarHBondContact O-N 3.23Å; E160-A163 PolarHBondContact O-N 3.16Å; E160-A164 VanDerWaalsContact O-CB 3.29Å; E160-A164 WeakPolarHBondContact O-CB 3.45Å; E160-A164 PolarHBondContact O-N 3.33Å
161	Y	98.5	Very high	97.6	Very high	115 Å²	115	61.3 Å²	61.3	45%	0.451	33%	0.327	S	S	.	.	H	α-helix	trans	-73.2	-38.4	178.6	-67.8	1.4	0	0	0	111	V157 P158 I159 A165	V157-Y161 HydrophobicContact CG1-CD2 4.23Å; P158-Y161 HydrophobicContact CB-CD1 4.11Å; P158-Y161 HydrophobicContact CB-CD2 4.35Å; P158-Y161 HydrophobicContact CB-CE1 4.24Å; P158-Y161 HydrophobicContact CB-CG 4.15Å; P158-Y161 HydrophobicContact CG-CD1 4.42Å; P158-Y161 HydrophobicContact CG-CD2 4.06Å; P158-Y161 HydrophobicContact CG-CE1 4.2Å; P158-Y161 HydrophobicContact CG-CE2 3.86Å; P158-Y161 HydrophobicContact CG-CG 4.35Å; P158-Y161 WeakPolarHBondContact O-CB 3.43Å; P158-Y161 PolarHBondContact O-N 3.28Å; I159-Y161 PolarHBondContact O-N 3.08Å; Y161-A165 WeakPolarHBondContact O-CB 3.24Å; Y161-A165 PolarHBondContact O-N 3.01Å
162	F	98.5	Very high	97.3	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.1	-42.6	170.9	-59.9	-78.1	0	0	0	110.8	F145 V148 V157 P158 I159 A165 V166 V179 L183 V203 L205	F145-F162 HydrophobicContact CB-CD1 3.78Å; F145-F162 HydrophobicContact CB-CE1 3.82Å; F145-F162 HydrophobicContact CD1-CB 4.11Å; F145-F162 AromaticContact CD1-CD1 3.54Å; F145-F162 HydrophobicContact CD1-CD1 3.54Å; F145-F162 HydrophobicContact CD1-CE1 4.45Å; F145-F162 HydrophobicContact CD1-CG 4.26Å; F145-F162 HydrophobicContact CD2-CD1 4.44Å; F145-F162 HydrophobicContact CE1-CB 3.92Å; F145-F162 HydrophobicContact CE1-CD1 4.22Å; F145-F162 AromaticContact CG-CD1 3.68Å; F145-F162 HydrophobicContact CG-CD1 3.68Å; F145-F162 HydrophobicContact CG-CE1 4.2Å; F145-F162 HydrophobicContact CZ-CB 4.48Å; V148-F162 HydrophobicContact CB-CD1 3.81Å; V148-F162 HydrophobicContact CB-CE1 3.85Å; V148-F162 HydrophobicContact CG1-CD1 3.73Å; V148-F162 HydrophobicContact CG1-CE1 3.8Å; V148-F162 HydrophobicContact CG1-CG 4.24Å; V148-F162 HydrophobicContact CG1-CZ 4.36Å; V148-F162 HydrophobicContact CG2-CD1 4.17Å; V157-F162 HydrophobicContact CB-CE2 3.63Å; V157-F162 HydrophobicContact CB-CZ 3.77Å; V157-F162 HydrophobicContact CG1-CD2 4.16Å; V157-F162 HydrophobicContact CG1-CE1 4.47Å; V157-F162 HydrophobicContact CG1-CE2 3.41Å; V157-F162 VanDerWaalsContact CG1-CE2 3.41Å; V157-F162 HydrophobicContact CG1-CZ 3.6Å; V157-F162 HydrophobicContact CG2-CZ 4.41Å; P158-F162 WeakPolarHBondContact O-CD2 3.49Å; I159-F162 WeakPolarHBondContact O-CB 3.46Å; I159-F162 PolarHBondContact O-N 2.91Å; I159-F162 VanDerWaalsContact O-N 3.1Å; F162-A165 PolarHBondContact O-N 3.36Å; F162-V166 WeakPolarHBondContact O-CG2 3.43Å; F162-V166 PolarHBondContact O-N 3.45Å; F162-V179 HydrophobicContact CB-CG1 3.59Å; F162-L183 HydrophobicContact CB-CD1 4.48Å; F162-L183 HydrophobicContact CD1-CD2 4.5Å; F162-L183 HydrophobicContact CD2-CD1 4.18Å; F162-L183 HydrophobicContact CG-CD1 4.39Å; F162-L183 HydrophobicContact CG-CD2 4.49Å; F162-V203 HydrophobicContact CD2-CG2 4.13Å; F162-V203 HydrophobicContact CE2-CB 4Å; F162-V203 HydrophobicContact CE2-CG2 3.68Å; F162-V203 HydrophobicContact CZ-CG2 4.48Å; F162-L205 HydrophobicContact CZ-CD1 4.34Å
163	A	98.4	Very high	97.2	Very high	7 Å²	7	67.7 Å²	67.7	6%	0.058	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-46	176.4	0	0	0	0	0	112.5	I159 E160 A165 V166 K167 V179	I159-A163 PolarHBondContact O-N 3.29Å; E160-A163 PolarHBondContact O-N 3.16Å; A163-A165 VanDerWaalsContact C-N 3.33Å; A163-A165 PolarHBondContact O-N 3.41Å; A163-V166 PolarHBondContact O-N 2.92Å; A163-K167 WeakPolarHBondContact O-CB 3.24Å; A163-K167 PolarHBondContact O-N 3.08Å; A163-V179 HydrophobicContact CB-CB 4.4Å; A163-V179 HydrophobicContact CB-CG2 4.28Å
164	A	98.3	Very high	97.1	Very high	49 Å²	49	61.7 Å²	61.7	41%	0.405	31%	0.311	S	S	.	.	H	α-helix	trans	-58.3	-45.1	174.3	0	0	0	0	0	111.4	E160 V166 K167 M168	E160-A164 VanDerWaalsContact O-CB 3.29Å; E160-A164 WeakPolarHBondContact O-CB 3.45Å; E160-A164 PolarHBondContact O-N 3.33Å; A164-V166 PolarHBondContact O-N 3.39Å; A164-K167 WeakPolarHBondContact O-CB 3.21Å; A164-K167 PolarHBondContact O-N 2.96Å; A164-M168 VanDerWaalsContact O-CG 3.28Å; A164-M168 WeakPolarHBondContact O-CG 3.39Å; A164-M168 PolarHBondContact O-N 2.9Å
165	A	98.5	Very high	97.1	Very high	15 Å²	15	60.4 Å²	60.4	12%	0.124	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-41.6	177.4	0	0	0	0	0	112.5	L144 V148 Y161 F162 A163 M168 T169	L144-A165 HydrophobicContact CD1-CB 4.23Å; L144-A165 HydrophobicContact CD2-CB 4.39Å; L144-A165 HydrophobicContact CG-CB 4.29Å; V148-A165 HydrophobicContact CG2-CB 3.37Å; Y161-A165 WeakPolarHBondContact O-CB 3.24Å; Y161-A165 PolarHBondContact O-N 3.01Å; F162-A165 PolarHBondContact O-N 3.36Å; A163-A165 VanDerWaalsContact C-N 3.33Å; A163-A165 PolarHBondContact O-N 3.41Å; A165-M168 PolarHBondContact O-N 2.97Å; A165-T169 WeakPolarHBondContact O-CG2 3.5Å; A165-T169 PolarHBondContact O-N 2.89Å
166	V	98.6	Very high	97.1	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.4	-43.2	175.5	177.6	0	0	0	0	110.7	Y141 L144 F145 F162 A163 A164 M168 T169 E173 A174 V179	Y141-V166 HydrophobicContact CD1-CG2 4.05Å; Y141-V166 HydrophobicContact CE1-CG1 3.95Å; Y141-V166 HydrophobicContact CE1-CG2 3.75Å; L144-V166 HydrophobicContact CD2-CG2 3.83Å; F145-V166 HydrophobicContact CE1-CG2 3.63Å; F145-V166 HydrophobicContact CZ-CG2 4.1Å; F162-V166 WeakPolarHBondContact O-CG2 3.43Å; F162-V166 PolarHBondContact O-N 3.45Å; A163-V166 PolarHBondContact O-N 2.92Å; A164-V166 PolarHBondContact O-N 3.39Å; V166-M168 VanDerWaalsContact C-N 3.27Å; V166-M168 PolarHBondContact O-N 2.92Å; V166-T169 WeakPolarHBondContact O-CB 3.34Å; V166-T169 PolarHBondContact O-N 3.1Å; V166-T169 PolarHBondContact O-OG1 3.13Å; V166-E173 WeakPolarHBondContact CG1-O 2.82Å; V166-A174 HydrophobicContact CB-CB 4.19Å; V166-A174 HydrophobicContact CG1-CB 3.87Å; V166-V179 HydrophobicContact CB-CG2 4.18Å; V166-V179 HydrophobicContact CG2-CG2 3.87Å
167	K	98.2	Very high	97	Very high	154 Å²	154	62.9 Å²	62.9	67%	0.67	33%	0.332	S	S	*	.	H	α-helix	trans	-57.9	-40.8	176.3	-169.8	177	179.5	179.1	0	111.6	A163 A164 T169 G170 A174	A163-K167 WeakPolarHBondContact O-CB 3.24Å; A163-K167 PolarHBondContact O-N 3.08Å; A164-K167 WeakPolarHBondContact O-CB 3.21Å; A164-K167 PolarHBondContact O-N 2.96Å; K167-T169 PolarHBondContact O-N 3.41Å; K167-G170 PolarHBondContact O-N 2.9Å; K167-A174 HydrophobicContact CB-CB 3.77Å; K167-A174 HydrophobicContact CG-CB 4.39Å
168	M	98	Very high	96.9	Very high	169 Å²	169	64.2 Å²	64.2	83%	0.833	34%	0.344	S	S	*	.	H	α-helix	trans	-63.4	-21.9	176.8	-70.3	174.8	75.7	0	0	113.5	A164 A165 V166 G170	A164-M168 VanDerWaalsContact O-CG 3.28Å; A164-M168 WeakPolarHBondContact O-CG 3.39Å; A164-M168 PolarHBondContact O-N 2.9Å; A165-M168 PolarHBondContact O-N 2.97Å; V166-M168 VanDerWaalsContact C-N 3.27Å; V166-M168 PolarHBondContact O-N 2.92Å; M168-G170 VanDerWaalsContact C-N 3.26Å; M168-G170 PolarHBondContact O-N 3.22Å
169	T	98	Very high	96.9	Very high	24 Å²	24	62.7 Å²	62.7	15%	0.147	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.3	172.8	74.7	0	0	0	0	113.5	N110 G112 L144 A165 V166 K167 S171	N110-T169 WeakPolarHBondContact OD1-CB 3.3Å; G112-T169 WeakPolarHBondContact CA-O 3.46Å; G112-T169 PolarHBondContact N-OG1 3.16Å; G112-T169 VanDerWaalsContact N-OG1 3.11Å; L144-T169 HydrophobicContact CD1-CG2 4.43Å; L144-T169 HydrophobicContact CD2-CG2 3.89Å; A165-T169 WeakPolarHBondContact O-CG2 3.5Å; A165-T169 PolarHBondContact O-N 2.89Å; V166-T169 WeakPolarHBondContact O-CB 3.34Å; V166-T169 PolarHBondContact O-N 3.1Å; V166-T169 PolarHBondContact O-OG1 3.13Å; K167-T169 PolarHBondContact O-N 3.41Å; T169-S171 VanDerWaalsContact C-N 3.34Å; T169-S171 PolarHBondContact OG1-N 3.39Å
170	G	97.2	Very high	96.8	Very high	59 Å²	59	64.1 Å²	64.1	61%	0.608	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	11.1	-173.8	0	0	0	0	0	114.5	K167 M168	K167-G170 PolarHBondContact O-N 2.9Å; M168-G170 VanDerWaalsContact C-N 3.26Å; M168-G170 PolarHBondContact O-N 3.22Å
171	S	96.7	Very high	96.8	Very high	9 Å²	9	62.2 Å²	62.2	6%	0.063	34%	0.339	C	S	.	.			trans	-68.5	144.9	171.4	177	0	0	0	0	110.5	E115 T169 E173	E115-S171 PolarHBondContact OE1-OG 2.9Å; E115-S171 PolarHBondContact OE2-OG 3.36Å; T169-S171 VanDerWaalsContact C-N 3.34Å; T169-S171 PolarHBondContact OG1-N 3.39Å; S171-E173 PolarHBondContact OG-N 2.87Å
172	R	91.1	Very high	96.7	Very high	224 Å²	224	57.3 Å²	57.3	85%	0.845	32%	0.321	S	S	*	.	S	Bend	trans	-78.3	-22.9	176.2	-65.2	-177.3	-180	177.2	-1.8	112.6	A174	R172-A174 PolarHBondContact O-N 3.08Å
173	E	92.9	Very high	96.7	Very high	96 Å²	96	57.3 Å²	57.3	45%	0.449	32%	0.321	S	S	.	.			trans	-87.9	56.4	-178.5	-68.8	170.7	-153.3	0	0	110.6	K137 Y141 V166 S171 A178	K137-E173 IonicContact NZ-OE1 2.65Å; K137-E173 PolarHBondContact NZ-OE1 2.91Å; K137-E173 IonicContact NZ-OE2 2.75Å; K137-E173 PolarHBondContact NZ-OE2 3.31Å; Y141-E173 PolarHBondContact OH-OE2 3.09Å; V166-E173 WeakPolarHBondContact CG1-O 2.82Å; S171-E173 PolarHBondContact OG-N 2.87Å; E173-A178 HydrophobicContact CB-CB 4.5Å
174	A	94.4	Very high	96.6	Very high	18 Å²	18	60.1 Å²	60.1	15%	0.149	34%	0.337	C	S	.	.			trans	-116.2	11	-171.8	0	0	0	0	0	114.1	V166 K167 R172	V166-A174 HydrophobicContact CB-CB 4.19Å; V166-A174 HydrophobicContact CG1-CB 3.87Å; K167-A174 HydrophobicContact CB-CB 3.77Å; K167-A174 HydrophobicContact CG-CB 4.39Å; R172-A174 PolarHBondContact O-N 3.08Å
175	S	95.9	Very high	96.5	Very high	66 Å²	66	60.6 Å²	60.6	46%	0.462	33%	0.333	S	S	.	.	S	Bend	trans	-71.8	154	170.3	62.2	0	0	0	0	110.6	D177 A178 V179	S175-D177 VanDerWaalsContact C-N 3.27Å; S175-D177 PolarHBondContact O-N 3.3Å; S175-A178 PolarHBondContact O-N 3Å; S175-A178 WeakPolarHBondContact OG-CB 3.39Å; S175-A178 PolarHBondContact OG-N 3.22Å; S175-V179 WeakPolarHBondContact O-CG2 3.45Å; S175-V179 PolarHBondContact O-N 2.87Å
176	S	94.8	Very high	96.5	Very high	45 Å²	45	59.9 Å²	59.9	32%	0.315	33%	0.327	S	S	.	.	H	α-helix	trans	-55.2	-43.2	176.4	-59.4	0	0	0	0	111.7	A178 V179 E180	S176-A178 PolarHBondContact O-N 3.29Å; S176-V179 PolarHBondContact O-N 3.36Å; S176-E180 VanDerWaalsContact O-CB 3.28Å; S176-E180 WeakPolarHBondContact O-CB 3.4Å; S176-E180 PolarHBondContact O-N 3.38Å
177	D	95.5	Very high	96.4	Very high	124 Å²	124	62 Å²	62	66%	0.663	34%	0.338	S	S	*	.	H	α-helix	trans	-62.4	-43	178.6	-55.1	-23.9	0	0	0	113.1	S175 V179 E180 C181	S175-D177 VanDerWaalsContact C-N 3.27Å; S175-D177 PolarHBondContact O-N 3.3Å; D177-V179 VanDerWaalsContact C-N 3.35Å; D177-E180 PolarHBondContact O-N 2.97Å; D177-C181 WeakPolarHBondContact O-CB 3.26Å; D177-C181 PolarHBondContact O-N 3.29Å
178	A	96.7	Very high	96.2	Very high	29 Å²	29	62.4 Å²	62.4	24%	0.24	34%	0.336	C	S	.	.	H	α-helix	trans	-67.7	-38.9	178.9	0	0	0	0	0	111.4	E173 S175 S176 T182	E173-A178 HydrophobicContact CB-CB 4.5Å; S175-A178 PolarHBondContact O-N 3Å; S175-A178 WeakPolarHBondContact OG-CB 3.39Å; S175-A178 PolarHBondContact OG-N 3.22Å; S176-A178 PolarHBondContact O-N 3.29Å; A178-T182 PolarHBondContact O-N 3.37Å; A178-T182 PolarHBondContact O-OG1 2.8Å
179	V	98.1	Very high	96	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-71.7	-37.8	176.9	169.2	0	0	0	0	111.6	F145 F162 A163 V166 S175 S176 D177 T182 L183	F145-V179 HydrophobicContact CE1-CG1 4.28Å; F145-V179 HydrophobicContact CZ-CG1 3.84Å; F162-V179 HydrophobicContact CB-CG1 3.59Å; A163-V179 HydrophobicContact CB-CB 4.4Å; A163-V179 HydrophobicContact CB-CG2 4.28Å; V166-V179 HydrophobicContact CB-CG2 4.18Å; V166-V179 HydrophobicContact CG2-CG2 3.87Å; S175-V179 WeakPolarHBondContact O-CG2 3.45Å; S175-V179 PolarHBondContact O-N 2.87Å; S176-V179 PolarHBondContact O-N 3.36Å; D177-V179 VanDerWaalsContact C-N 3.35Å; V179-T182 WeakPolarHBondContact O-CB 3.49Å; V179-T182 PolarHBondContact O-N 3.41Å; V179-L183 HydrophobicContact CG1-CD1 3.89Å; V179-L183 HydrophobicContact CG1-CG 4.37Å; V179-L183 WeakPolarHBondContact O-CB 3.37Å; V179-L183 WeakPolarHBondContact O-CD1 3.16Å; V179-L183 VanDerWaalsContact O-CG 3.27Å; V179-L183 WeakPolarHBondContact O-CG 3.34Å; V179-L183 PolarHBondContact O-N 3.01Å
180	E	97.4	Very high	95.9	Very high	30 Å²	30	54.8 Å²	54.8	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-58.6	-48.2	171.9	-171.5	177	145.9	0	0	110.7	I159 S176 D177 T182 L183 V184 I196 H198	I159-E180 HydrophobicContact CD1-CB 4.4Å; I159-E180 HydrophobicContact CD1-CG 4.06Å; I159-E180 HydrophobicContact CG2-CB 4.38Å; S176-E180 VanDerWaalsContact O-CB 3.28Å; S176-E180 WeakPolarHBondContact O-CB 3.4Å; S176-E180 PolarHBondContact O-N 3.38Å; D177-E180 PolarHBondContact O-N 2.97Å; E180-T182 VanDerWaalsContact C-N 3.29Å; E180-T182 PolarHBondContact O-N 2.94Å; E180-L183 WeakPolarHBondContact O-CB 3.47Å; E180-L183 PolarHBondContact O-N 3.01Å; E180-L183 VanDerWaalsContact O-N 3.09Å; E180-V184 WeakPolarHBondContact O-CG2 3.17Å; E180-V184 PolarHBondContact O-N 3.04Å; E180-I196 HydrophobicContact CG-CD1 3.91Å; E180-I196 HydrophobicContact CG-CG2 4.31Å; E180-H198 IonicContact OE1-CE1 2.9Å; E180-H198 PolarHBondContact OE1-CE1 3.29Å; E180-H198 IonicContact OE1-ND1 2.71Å; E180-H198 PolarHBondContact OE1-ND1 3.16Å
181	C	96.6	Very high	95.9	Very high	73 Å²	73	52 Å²	52	49%	0.493	28%	0.277	S	S	.	.	H	α-helix	trans	-57.1	-42.2	174.2	-178	0	0	0	0	112.2	D177 L183 V184 N185	D177-C181 WeakPolarHBondContact O-CB 3.26Å; D177-C181 PolarHBondContact O-N 3.29Å; C181-L183 PolarHBondContact O-N 2.9Å; C181-V184 PolarHBondContact O-N 3.25Å; C181-N185 PolarHBondContact O-N 3.35Å; C181-N185 VanDerWaalsContact O-N 3.11Å; C181-N185 PolarHBondContact O-ND2 3.05Å; C181-N185 VanDerWaalsContact O-ND2 3.14Å
182	T	97.5	Very high	95.9	Very high	12 Å²	12	51.6 Å²	51.6	7%	0.074	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-42	175.8	-56.8	0	0	0	0	111.8	M138 Y141 F145 A178 V179 E180 N185 L186	M138-T182 HydrophobicContact CE-CG2 4.26Å; M138-T182 HydrophobicContact SD-CG2 4.1Å; Y141-T182 HydrophobicContact CD1-CG2 3.87Å; Y141-T182 HydrophobicContact CD2-CG2 3.61Å; Y141-T182 HydrophobicContact CE1-CG2 4.27Å; Y141-T182 HydrophobicContact CE2-CG2 4.03Å; Y141-T182 HydrophobicContact CG-CG2 3.53Å; F145-T182 HydrophobicContact CE2-CG2 3.92Å; F145-T182 HydrophobicContact CZ-CG2 4.25Å; A178-T182 PolarHBondContact O-N 3.37Å; A178-T182 PolarHBondContact O-OG1 2.8Å; V179-T182 WeakPolarHBondContact O-CB 3.49Å; V179-T182 PolarHBondContact O-N 3.41Å; E180-T182 VanDerWaalsContact C-N 3.29Å; E180-T182 PolarHBondContact O-N 2.94Å; T182-N185 PolarHBondContact O-N 3.13Å; T182-L186 HydrophobicContact CG2-CD1 4.44Å; T182-L186 WeakPolarHBondContact O-CG 3.31Å; T182-L186 PolarHBondContact O-N 3.31Å; T182-L186 VanDerWaalsContact O-N 3.09Å
183	L	98	Very high	96.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-45	176.8	-73	159.2	0	0	0	111.3	F145 I159 F162 V179 E180 C181 N185 L186 I187 L192 I196 V203	F145-L183 HydrophobicContact CD2-CD2 3.53Å; F145-L183 HydrophobicContact CD2-CG 4.26Å; F145-L183 HydrophobicContact CE2-CD2 3.69Å; F145-L183 HydrophobicContact CE2-CG 3.88Å; F145-L183 HydrophobicContact CG-CD2 4.32Å; I159-L183 HydrophobicContact CG2-CD1 4.49Å; F162-L183 HydrophobicContact CB-CD1 4.48Å; F162-L183 HydrophobicContact CD1-CD2 4.5Å; F162-L183 HydrophobicContact CD2-CD1 4.18Å; F162-L183 HydrophobicContact CG-CD1 4.39Å; F162-L183 HydrophobicContact CG-CD2 4.49Å; V179-L183 HydrophobicContact CG1-CD1 3.89Å; V179-L183 HydrophobicContact CG1-CG 4.37Å; V179-L183 WeakPolarHBondContact O-CB 3.37Å; V179-L183 WeakPolarHBondContact O-CD1 3.16Å; V179-L183 VanDerWaalsContact O-CG 3.27Å; V179-L183 WeakPolarHBondContact O-CG 3.34Å; V179-L183 PolarHBondContact O-N 3.01Å; E180-L183 WeakPolarHBondContact O-CB 3.47Å; E180-L183 PolarHBondContact O-N 3.01Å; E180-L183 VanDerWaalsContact O-N 3.09Å; C181-L183 PolarHBondContact O-N 2.9Å; L183-N185 VanDerWaalsContact C-N 3.29Å; L183-N185 PolarHBondContact O-N 3.35Å; L183-L186 PolarHBondContact O-N 3.2Å; L183-I187 VanDerWaalsContact O-CG1 3.3Å; L183-I187 WeakPolarHBondContact O-CG1 3.42Å; L183-I187 PolarHBondContact O-N 3.25Å; L183-L192 HydrophobicContact CD2-CD1 3.82Å; L183-I196 HydrophobicContact CB-CD1 4.06Å; L183-V203 HydrophobicContact CD1-CG2 3.54Å; L183-V203 HydrophobicContact CD2-CG2 4.17Å; L183-V203 HydrophobicContact CG-CG2 4.35Å
184	V	97	Very high	96.5	Very high	66 Å²	66	42.1 Å²	42.1	40%	0.4	25%	0.245	S	C	.	.	H	α-helix	trans	-54.2	-47.6	174.6	173.6	0	0	0	0	110.6	E180 C181 L186 I187 Y188 I196	E180-V184 WeakPolarHBondContact O-CG2 3.17Å; E180-V184 PolarHBondContact O-N 3.04Å; C181-V184 PolarHBondContact O-N 3.25Å; V184-L186 PolarHBondContact O-N 3.49Å; V184-I187 WeakPolarHBondContact O-CB 3.41Å; V184-I187 PolarHBondContact O-N 3.04Å; V184-I187 VanDerWaalsContact O-N 3.16Å; V184-Y188 WeakPolarHBondContact O-CB 3.27Å; V184-Y188 PolarHBondContact O-N 3.36Å; V184-I196 HydrophobicContact CB-CD1 4.41Å; V184-I196 HydrophobicContact CG2-CD1 3.39Å
185	N	95.7	Very high	96.7	Very high	59 Å²	59	48 Å²	48	32%	0.316	26%	0.264	S	S	.	.	H	α-helix	trans	-63.6	-39.8	-179.9	-71.5	-35.5	0	0	0	112.7	M138 C181 T182 L183 I187 Y188 G189	M138-N185 HydrophobicContact CE-CB 3.59Å; C181-N185 PolarHBondContact O-N 3.35Å; C181-N185 VanDerWaalsContact O-N 3.11Å; C181-N185 PolarHBondContact O-ND2 3.05Å; C181-N185 VanDerWaalsContact O-ND2 3.14Å; T182-N185 PolarHBondContact O-N 3.13Å; L183-N185 VanDerWaalsContact C-N 3.29Å; L183-N185 PolarHBondContact O-N 3.35Å; N185-I187 VanDerWaalsContact C-N 3.32Å; N185-Y188 PolarHBondContact O-N 3.24Å; N185-G189 PolarHBondContact O-N 2.65Å
186	L	97.4	Very high	96.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.9	-30.8	175.2	-68.8	173.5	0	0	0	112.6	M138 R142 F145 T182 L183 V184 G190 Q191 L192 W219	M138-L186 HydrophobicContact CE-CD2 3.81Å; M138-L186 HydrophobicContact CE-CG 3.85Å; R142-L186 HydrophobicContact CB-CD1 4.29Å; R142-L186 HydrophobicContact CB-CD2 4.02Å; F145-L186 HydrophobicContact CD2-CD1 3.65Å; F145-L186 HydrophobicContact CE2-CD1 3.89Å; T182-L186 HydrophobicContact CG2-CD1 4.44Å; T182-L186 WeakPolarHBondContact O-CG 3.31Å; T182-L186 PolarHBondContact O-N 3.31Å; T182-L186 VanDerWaalsContact O-N 3.09Å; L183-L186 PolarHBondContact O-N 3.2Å; V184-L186 PolarHBondContact O-N 3.49Å; L186-G190 PolarHBondContact O-N 3.16Å; L186-Q191 HydrophobicContact CB-CB 4.37Å; L186-Q191 HydrophobicContact CD2-CB 3.78Å; L186-Q191 HydrophobicContact CD2-CG 4.23Å; L186-Q191 PolarHBondContact O-N 2.88Å; L186-Q191 PolarHBondContact O-OE1 3.4Å; L186-L192 HydrophobicContact CB-CB 3.88Å; L186-L192 PolarHBondContact O-N 3.13Å; L186-W219 HydrophobicContact CD2-CH2 4.46Å; L186-W219 HydrophobicContact CD2-CZ3 4.4Å
187	I	97.1	Very high	96.9	Very high	44 Å²	44	44.9 Å²	44.9	23%	0.226	24%	0.24	C	C	.	.	H	α-helix	trans	-67.6	-49.9	172.8	-68.8	165.7	0	0	0	110	L183 V184 N185 G189 G190 L192 G194 I196	L183-I187 VanDerWaalsContact O-CG1 3.3Å; L183-I187 WeakPolarHBondContact O-CG1 3.42Å; L183-I187 PolarHBondContact O-N 3.25Å; V184-I187 WeakPolarHBondContact O-CB 3.41Å; V184-I187 PolarHBondContact O-N 3.04Å; V184-I187 VanDerWaalsContact O-N 3.16Å; N185-I187 VanDerWaalsContact C-N 3.32Å; I187-G189 PolarHBondContact O-N 3.02Å; I187-G190 PolarHBondContact O-N 3.18Å; I187-L192 VanDerWaalsContact CA-O 3.31Å; I187-L192 WeakPolarHBondContact CA-O 3.4Å; I187-L192 HydrophobicContact CD1-CD2 3.97Å; I187-L192 HydrophobicContact CG1-CB 4.49Å; I187-L192 HydrophobicContact CG1-CD2 3.39Å; I187-G194 WeakPolarHBondContact CG2-O 3.28Å; I187-I196 HydrophobicContact CD1-CD1 4.14Å; I187-I196 HydrophobicContact CD1-CG1 4.08Å
188	Y	95.1	Very high	96.8	Very high	164 Å²	164	44.4 Å²	44.4	64%	0.643	23%	0.234	S	C	*	.	H	α-helix	trans	-58.1	-45.6	-179.6	179.5	-101.2	0	0	0	112.4	V184 N185 G190	V184-Y188 WeakPolarHBondContact O-CB 3.27Å; V184-Y188 PolarHBondContact O-N 3.36Å; N185-Y188 PolarHBondContact O-N 3.24Å; Y188-G190 PolarHBondContact O-N 3.43Å
189	G	93.2	Very high	96.6	Very high	8 Å²	8	51.6 Å²	51.6	8%	0.082	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-3.5	176.8	0	0	0	0	0	114.9	N185 I187 Q191 S218	N185-G189 PolarHBondContact O-N 2.65Å; I187-G189 PolarHBondContact O-N 3.02Å; G189-Q191 PolarHBondContact O-N 3.22Å; G189-Q191 PolarHBondContact O-NE2 3.15Å; G189-Q191 PolarHBondContact O-OE1 2.84Å; G189-S218 CarbonylContact C-O 3.48Å; G189-S218 WeakPolarHBondContact CA-O 3.3Å; G189-S218 PolarHBondContact O-N 3.21Å
190	G	95.7	Very high	96.5	Very high	24 Å²	24	56.6 Å²	56.6	25%	0.247	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	8	179.9	0	0	0	0	0	114.8	L186 I187 Y188 L192 T217	L186-G190 PolarHBondContact O-N 3.16Å; I187-G190 PolarHBondContact O-N 3.18Å; Y188-G190 PolarHBondContact O-N 3.43Å; G190-L192 PolarHBondContact O-N 2.92Å; G190-T217 WeakPolarHBondContact O-CG2 3.46Å
191	Q	97	Very high	96.4	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	30%	0.302	C	S	.	.	S	Bend	trans	-67.7	-24.4	172.9	-69.2	79.9	25.9	0	0	113.2	R142 L186 G189 L214 T217 S218 W219	R142-Q191 HydrophobicContact CG-CB 4.13Å; L186-Q191 HydrophobicContact CB-CB 4.37Å; L186-Q191 HydrophobicContact CD2-CB 3.78Å; L186-Q191 HydrophobicContact CD2-CG 4.23Å; L186-Q191 PolarHBondContact O-N 2.88Å; L186-Q191 PolarHBondContact O-OE1 3.4Å; G189-Q191 PolarHBondContact O-N 3.22Å; G189-Q191 PolarHBondContact O-NE2 3.15Å; G189-Q191 PolarHBondContact O-OE1 2.84Å; Q191-L214 HydrophobicContact CG-CD2 4.42Å; Q191-T217 HydrophobicContact CG-CG2 4.26Å; Q191-T217 PolarHBondContact NE2-OG1 3Å; Q191-S218 PolarHBondContact NE2-O 3.41Å; Q191-W219 HydrophobicContact CG-CD2 4.36Å; Q191-W219 HydrophobicContact CG-CE3 4.32Å; Q191-W219 HydrophobicContact CG-CH2 3.54Å; Q191-W219 HydrophobicContact CG-CZ2 3.51Å; Q191-W219 HydrophobicContact CG-CZ3 3.91Å
192	L	97.8	Very high	96.5	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.284	C	S	.	.	S	Bend	trans	-130.7	123.4	174.6	-174.4	150.1	0	0	0	108.1	L183 L186 I187 G190 V203 L205 P210 F211	L183-L192 HydrophobicContact CD2-CD1 3.82Å; L186-L192 HydrophobicContact CB-CB 3.88Å; L186-L192 PolarHBondContact O-N 3.13Å; I187-L192 VanDerWaalsContact CA-O 3.31Å; I187-L192 WeakPolarHBondContact CA-O 3.4Å; I187-L192 HydrophobicContact CD1-CD2 3.97Å; I187-L192 HydrophobicContact CG1-CB 4.49Å; I187-L192 HydrophobicContact CG1-CD2 3.39Å; G190-L192 PolarHBondContact O-N 2.92Å; L192-V203 HydrophobicContact CD2-CG1 4.21Å; L192-L205 HydrophobicContact CD1-CD2 3.93Å; L192-L205 HydrophobicContact CD2-CD2 3.52Å; L192-L205 HydrophobicContact CG-CD2 3.64Å; L192-P210 CarbonylContact C-O 3.48Å; L192-P210 WeakPolarHBondContact CA-O 3.19Å; L192-F211 HydrophobicContact CB-CE1 4.49Å; L192-F211 HydrophobicContact CD1-CE1 3.75Å; L192-F211 HydrophobicContact CD1-CZ 3.78Å; L192-F211 HydrophobicContact CG-CE1 4.18Å; L192-F211 HydrophobicContact CG-CZ 4.27Å
193	K	98	Very high	96.5	Very high	95 Å²	95	56.1 Å²	56.1	41%	0.413	28%	0.28	S	S	.	.			trans	-96.8	118.8	177.5	-70	-179.1	172.7	168.6	0	109.4	S206 P210 P212	K193-S206 WeakPolarHBondContact O-CB 3.25Å; K193-S206 PolarHBondContact O-N 3.1Å; K193-P210 PolarHBondContact N-O 2.62Å; K193-P212 HydrophobicContact CD-CG 3.72Å; K193-P212 VanDerWaalsContact CE-CG 3.42Å; K193-P212 HydrophobicContact CG-CG 3.95Å
194	G	97.5	Very high	96.5	Very high	26 Å²	26	56.9 Å²	56.9	27%	0.268	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	163.8	-167.9	-178.2	0	0	0	0	0	111.8	I187 V204	I187-G194 WeakPolarHBondContact CG2-O 3.28Å; G194-V204 CarbonylContact C-O 3.6Å; G194-V204 WeakPolarHBondContact CA-O 3.45Å
195	Y	98	Very high	96.6	Very high	141 Å²	141	53.9 Å²	53.9	55%	0.553	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.7	162.3	171.4	65.2	-88.6	0	0	0	110.6	V204	Y195-V204 HydrophobicContact CD1-CB 4.04Å; Y195-V204 HydrophobicContact CD1-CG1 4.39Å; Y195-V204 HydrophobicContact CD2-CB 4.31Å; Y195-V204 HydrophobicContact CD2-CG2 4.34Å; Y195-V204 HydrophobicContact CE1-CB 3.63Å; Y195-V204 HydrophobicContact CE1-CG1 3.63Å; Y195-V204 HydrophobicContact CE1-CG2 4.25Å; Y195-V204 HydrophobicContact CE2-CB 3.92Å; Y195-V204 HydrophobicContact CE2-CG2 3.69Å; Y195-V204 HydrophobicContact CG-CB 4.36Å; Y195-V204 PolarHBondContact N-O 3.41Å; Y195-V204 PolarHBondContact O-N 2.87Å
196	I	97.9	Very high	96.7	Very high	20 Å²	20	53 Å²	53	10%	0.103	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.9	175.5	-70.5	157.3	0	0	0	109.1	I159 E180 L183 V184 I187 V203	I159-I196 HydrophobicContact CD1-CG2 4.04Å; E180-I196 HydrophobicContact CG-CD1 3.91Å; E180-I196 HydrophobicContact CG-CG2 4.31Å; L183-I196 HydrophobicContact CB-CD1 4.06Å; V184-I196 HydrophobicContact CB-CD1 4.41Å; V184-I196 HydrophobicContact CG2-CD1 3.39Å; I187-I196 HydrophobicContact CD1-CD1 4.14Å; I187-I196 HydrophobicContact CD1-CG1 4.08Å; I196-V203 HydrophobicContact CG1-CG2 4.33Å
197	S	97.3	Very high	96.6	Very high	25 Å²	25	62.4 Å²	62.4	18%	0.175	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	92.3	168.6	-177.4	0	0	0	0	108.5	Q199 N200 Q201 V202	S197-Q199 VanDerWaalsContact C-N 3.32Å; S197-Q199 PolarHBondContact O-N 2.74Å; S197-N200 CarbonylContact O-C 3.4Å; S197-N200 PolarHBondContact O-N 3.02Å; S197-N200 PolarHBondContact OG-ND2 3.4Å; S197-Q201 PolarHBondContact O-N 3.03Å; S197-V202 PolarHBondContact N-O 3Å; S197-V202 PolarHBondContact O-N 2.92Å
198	H	92.9	Very high	96.4	Very high	115 Å²	115	68.9 Å²	68.9	53%	0.532	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-41.2	-176.1	-60.8	-75.4	0	0	0	112.7	E180 N200 Q201	E180-H198 IonicContact OE1-CE1 2.9Å; E180-H198 PolarHBondContact OE1-CE1 3.29Å; E180-H198 IonicContact OE1-ND1 2.71Å; E180-H198 PolarHBondContact OE1-ND1 3.16Å; H198-N200 VanDerWaalsContact C-N 3.28Å; H198-N200 PolarHBondContact O-N 2.78Å; H198-Q201 PolarHBondContact O-N 3.47Å; H198-Q201 PolarHBondContact O-NE2 3.49Å
199	Q	93.1	Very high	96.4	Very high	180 Å²	180	65 Å²	65	84%	0.841	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-38.2	179.2	-176	178.3	6.4	0	0	112.5	S197	S197-Q199 VanDerWaalsContact C-N 3.32Å; S197-Q199 PolarHBondContact O-N 2.74Å
200	N	95.3	Very high	96.6	Very high	104 Å²	104	65.2 Å²	65.2	56%	0.556	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-3	-177.1	-64	-38.4	0	0	0	113.1	S197 H198 V202	S197-N200 CarbonylContact O-C 3.4Å; S197-N200 PolarHBondContact O-N 3.02Å; S197-N200 PolarHBondContact OG-ND2 3.4Å; H198-N200 VanDerWaalsContact C-N 3.28Å; H198-N200 PolarHBondContact O-N 2.78Å; N200-V202 VanDerWaalsContact C-N 3.26Å; N200-V202 HydrophobicContact CB-CG2 3.88Å; N200-V202 PolarHBondContact O-N 3.38Å
201	Q	97	Very high	96.7	Very high	86 Å²	86	64.4 Å²	64.4	40%	0.402	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	39.9	-177.4	-66.1	-70.4	-62.8	0	0	113.5	I159 S197 H198	I159-Q201 WeakPolarHBondContact CG1-O 3.16Å; I159-Q201 PolarHBondContact N-O 3Å; S197-Q201 PolarHBondContact O-N 3.03Å; H198-Q201 PolarHBondContact O-N 3.47Å; H198-Q201 PolarHBondContact O-NE2 3.49Å
202	V	98	Very high	96.7	Very high	20 Å²	20	64.5 Å²	64.5	12%	0.121	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.7	179.4	-64.5	0	0	0	0	111.7	V157 P158 S197 N200 V204	V157-V202 CarbonylContact O-C 3.59Å; V157-V202 WeakPolarHBondContact O-CA 3.32Å; P158-V202 HydrophobicContact CG-CG1 4.43Å; S197-V202 PolarHBondContact N-O 3Å; S197-V202 PolarHBondContact O-N 2.92Å; N200-V202 VanDerWaalsContact C-N 3.26Å; N200-V202 HydrophobicContact CB-CG2 3.88Å; N200-V202 PolarHBondContact O-N 3.38Å; V202-V204 HydrophobicContact CG2-CG2 4.3Å
203	V	98.2	Very high	96.6	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.6	164.8	-170.7	0	0	0	0	108.2	Q156 V157 I159 F162 L183 L192 I196 L205	Q156-V203 WeakPolarHBondContact CA-O 3.25Å; V157-V203 PolarHBondContact N-O 3.36Å; V157-V203 PolarHBondContact O-N 3.15Å; I159-V203 HydrophobicContact CG1-CG2 4.01Å; F162-V203 HydrophobicContact CD2-CG2 4.13Å; F162-V203 HydrophobicContact CE2-CB 4Å; F162-V203 HydrophobicContact CE2-CG2 3.68Å; F162-V203 HydrophobicContact CZ-CG2 4.48Å; L183-V203 HydrophobicContact CD1-CG2 3.54Å; L183-V203 HydrophobicContact CD2-CG2 4.17Å; L183-V203 HydrophobicContact CG-CG2 4.35Å; L192-V203 HydrophobicContact CD2-CG1 4.21Å; I196-V203 HydrophobicContact CG1-CG2 4.33Å; V203-L205 HydrophobicContact CG1-CD2 4.13Å; V203-L205 HydrophobicContact CG1-CG 4.12Å
204	V	98.2	Very high	96.5	Very high	15 Å²	15	64.5 Å²	64.5	9%	0.091	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	98.8	173.7	-172.9	0	0	0	0	108.4	Q156 G194 Y195 V202	Q156-V204 HydrophobicContact CG-CG1 4.21Å; Q156-V204 HydrophobicContact CG-CG2 4.13Å; G194-V204 CarbonylContact C-O 3.6Å; G194-V204 WeakPolarHBondContact CA-O 3.45Å; Y195-V204 HydrophobicContact CD1-CB 4.04Å; Y195-V204 HydrophobicContact CD1-CG1 4.39Å; Y195-V204 HydrophobicContact CD2-CB 4.31Å; Y195-V204 HydrophobicContact CD2-CG2 4.34Å; Y195-V204 HydrophobicContact CE1-CB 3.63Å; Y195-V204 HydrophobicContact CE1-CG1 3.63Å; Y195-V204 HydrophobicContact CE1-CG2 4.25Å; Y195-V204 HydrophobicContact CE2-CB 3.92Å; Y195-V204 HydrophobicContact CE2-CG2 3.69Å; Y195-V204 HydrophobicContact CG-CB 4.36Å; Y195-V204 PolarHBondContact N-O 3.41Å; Y195-V204 PolarHBondContact O-N 2.87Å; V202-V204 HydrophobicContact CG2-CG2 4.3Å
205	L	98.2	Very high	96.3	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	145.2	-178.6	-68.5	161.6	0	0	0	111.6	Y149 H155 V157 F162 L192 V203 R207 P210 F211	Y149-L205 HydrophobicContact CD2-CB 4.5Å; Y149-L205 HydrophobicContact CD2-CD1 3.24Å; Y149-L205 HydrophobicContact CD2-CG 4.46Å; Y149-L205 HydrophobicContact CE2-CB 4.4Å; Y149-L205 HydrophobicContact CE2-CD1 3.95Å; Y149-L205 HydrophobicContact CG-CD1 3.67Å; H155-L205 WeakPolarHBondContact O-CB 3.38Å; H155-L205 PolarHBondContact O-N 3.3Å; V157-L205 HydrophobicContact CG2-CD1 4.03Å; F162-L205 HydrophobicContact CZ-CD1 4.34Å; L192-L205 HydrophobicContact CD1-CD2 3.93Å; L192-L205 HydrophobicContact CD2-CD2 3.52Å; L192-L205 HydrophobicContact CG-CD2 3.64Å; V203-L205 HydrophobicContact CG1-CD2 4.13Å; V203-L205 HydrophobicContact CG1-CG 4.12Å; L205-R207 PolarHBondContact O-N 3.45Å; L205-P210 HydrophobicContact CB-CB 4.09Å; L205-P210 HydrophobicContact CD2-CB 4.23Å; L205-F211 HydrophobicContact CD2-CE2 4.26Å; L205-F211 HydrophobicContact CD2-CZ 4.37Å
206	S	97.4	Very high	95.9	Very high	40 Å²	40	65.4 Å²	65.4	28%	0.28	32%	0.323	S	S	.	.			trans	-59	131.1	173.5	175.9	0	0	0	0	110.4	K193 K208 P210	K193-S206 WeakPolarHBondContact O-CB 3.25Å; K193-S206 PolarHBondContact O-N 3.1Å; S206-K208 PolarHBondContact O-N 3.38Å; S206-K208 PolarHBondContact OG-N 2.95Å; S206-K208 VanDerWaalsContact OG-N 3.14Å; S206-K208 PolarHBondContact OG-O 3.21Å; S206-P210 VanDerWaalsContact O-CB 3.27Å; S206-P210 WeakPolarHBondContact O-CB 3.49Å; S206-P210 VanDerWaalsContact O-CD 3.31Å; S206-P210 WeakPolarHBondContact O-CD 3.42Å; S206-P210 WeakPolarHBondContact O-CG 3.3Å
207	R	95	Very high	95.6	Very high	197 Å²	197	65.6 Å²	65.6	74%	0.743	33%	0.325	S	S	*	.	S	Bend	trans	-66.3	-23.9	172.7	-63.9	-179	-179.6	-129.9	0.9	112.3	H155 L205	H155-R207 HydrophobicContact CB-CG 4.26Å; H155-R207 PolarHBondContact CE1-NH2 3.38Å; H155-R207 PolarHBondContact NE2-NH2 3.24Å; H155-R207 VanDerWaalsContact NE2-NH2 3.18Å; L205-R207 PolarHBondContact O-N 3.45Å
208	K	94.2	Very high	95.2	Very high	180 Å²	180	67.1 Å²	67.1	78%	0.783	34%	0.335	S	S	*	.	S	Bend	trans	-105.3	111.4	177.7	-170.7	178.2	-177	179.2	0	109.6	S206	S206-K208 PolarHBondContact O-N 3.38Å; S206-K208 PolarHBondContact OG-N 2.95Å; S206-K208 VanDerWaalsContact OG-N 3.14Å; S206-K208 PolarHBondContact OG-O 3.21Å
209	N	94.9	Very high	94.8	Very high	82 Å²	82	61.8 Å²	61.8	44%	0.439	31%	0.311	S	S	.	.			trans	45.5	64.2	175.4	-168.8	19	0	0	0	113.6	F211	N209-F211 PolarHBondContact O-N 3.17Å; N209-F211 VanDerWaalsContact O-N 3.17Å; N209-F211 PolarHBondContact OD1-O 3.1Å
210	P	97.4	Very high	94	Very high	13 Å²	13	60 Å²	60	8%	0.084	30%	0.296	C	S	.	.	S	Bend	trans	-63.4	-19.9	-177.3	19.9	-27.4	0	0	0	113.9	Y149 L192 K193 L205 S206	Y149-P210 HydrophobicContact CD1-CG 4.04Å; Y149-P210 HydrophobicContact CE1-CB 4.49Å; Y149-P210 HydrophobicContact CE1-CG 3.37Å; L192-P210 CarbonylContact C-O 3.48Å; L192-P210 WeakPolarHBondContact CA-O 3.19Å; K193-P210 PolarHBondContact N-O 2.62Å; L205-P210 HydrophobicContact CB-CB 4.09Å; L205-P210 HydrophobicContact CD2-CB 4.23Å; S206-P210 VanDerWaalsContact O-CB 3.27Å; S206-P210 WeakPolarHBondContact O-CB 3.49Å; S206-P210 VanDerWaalsContact O-CD 3.31Å; S206-P210 WeakPolarHBondContact O-CD 3.42Å; S206-P210 WeakPolarHBondContact O-CG 3.3Å
211	F	97.8	Very high	92.6	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.035	30%	0.296	C	S	.	.	S	Bend	trans	-126.2	81.9	177.6	-68.1	-90.7	0	0	0	109.5	R142 F145 K146 Y149 L192 L205 N209	R142-F211 HydrophobicContact CG-CD1 4.14Å; R142-F211 PolarHBondContact NH2-O 3.18Å; R142-F211 VanDerWaalsContact NH2-O 3.08Å; F145-F211 HydrophobicContact CB-CE1 4.14Å; F145-F211 HydrophobicContact CB-CZ 4.2Å; K146-F211 HydrophobicContact CB-CD1 3.81Å; K146-F211 HydrophobicContact CB-CD2 4.12Å; K146-F211 HydrophobicContact CB-CE1 3.93Å; K146-F211 HydrophobicContact CB-CE2 4.27Å; K146-F211 HydrophobicContact CB-CG 3.9Å; K146-F211 HydrophobicContact CB-CZ 4.18Å; K146-F211 HydrophobicContact CD-CB 4Å; K146-F211 HydrophobicContact CD-CG 4.24Å; K146-F211 HydrophobicContact CG-CB 4.22Å; K146-F211 HydrophobicContact CG-CD1 4.36Å; K146-F211 HydrophobicContact CG-CD2 3.99Å; K146-F211 HydrophobicContact CG-CE2 4.48Å; K146-F211 HydrophobicContact CG-CG 3.93Å; Y149-F211 HydrophobicContact CD1-CD2 4.08Å; Y149-F211 AromaticContact CD1-CE2 3.79Å; Y149-F211 HydrophobicContact CD1-CE2 3.79Å; Y149-F211 AromaticContact CG-CE2 3.93Å; Y149-F211 HydrophobicContact CG-CE2 3.93Å; L192-F211 HydrophobicContact CB-CE1 4.49Å; L192-F211 HydrophobicContact CD1-CE1 3.75Å; L192-F211 HydrophobicContact CD1-CZ 3.78Å; L192-F211 HydrophobicContact CG-CE1 4.18Å; L192-F211 HydrophobicContact CG-CZ 4.27Å; L205-F211 HydrophobicContact CD2-CE2 4.26Å; L205-F211 HydrophobicContact CD2-CZ 4.37Å; N209-F211 PolarHBondContact O-N 3.17Å; N209-F211 VanDerWaalsContact O-N 3.17Å; N209-F211 PolarHBondContact OD1-O 3.1Å
212	P	96.8	Very high	92.4	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.019	29%	0.29	C	S	.	.			trans	-55.5	166.1	-180	-23.1	33.2	0	0	0	113.4	R142 K193 L214 T217	R142-P212 PolarHBondContact NH2-O 3.17Å; K193-P212 HydrophobicContact CD-CG 3.72Å; K193-P212 VanDerWaalsContact CE-CG 3.42Å; K193-P212 HydrophobicContact CG-CG 3.95Å; P212-L214 PolarHBondContact O-N 2.9Å; P212-T217 HydrophobicContact CB-CG2 4.22Å
213	N	95.5	Very high	92.1	Very high	86 Å²	86	62.6 Å²	62.6	46%	0.46	30%	0.299	S	S	.	.			trans	-62	135.1	170.8	-169.4	-34.9	0	0	0	108.8	A215 E216 T217	N213-A215 PolarHBondContact O-N 3.04Å; N213-A215 VanDerWaalsContact O-N 3.14Å; N213-A215 PolarHBondContact OD1-N 3Å; N213-A215 VanDerWaalsContact OD1-N 3.16Å; N213-E216 HydrophobicContact CB-CG 4.32Å; N213-E216 WeakPolarHBondContact O-CB 3.33Å; N213-E216 PolarHBondContact O-N 3.11Å; N213-T217 WeakPolarHBondContact O-CG2 3.3Å
214	L	94.9	Very high	91.8	Very high	10 Å²	10	66.1 Å²	66.1	5%	0.052	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-58.2	-30	-177.7	-68.5	-179.8	0	0	0	112.8	Y81 V139 Q191 P212 E216 T217 W219	Y81-L214 WeakPolarHBondContact O-CB 3.42Å; V139-L214 HydrophobicContact CG1-CD1 3.67Å; Q191-L214 HydrophobicContact CG-CD2 4.42Å; P212-L214 PolarHBondContact O-N 2.9Å; L214-E216 PolarHBondContact O-N 3.14Å; L214-T217 PolarHBondContact O-N 2.97Å; L214-T217 PolarHBondContact O-OG1 2.99Å; L214-W219 HydrophobicContact CD2-CZ2 3.85Å
215	A	93.2	Very high	91.4	Very high	48 Å²	48	69.1 Å²	69.1	40%	0.397	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-64.6	-15.7	175.5	0	0	0	0	0	114.3	N213	N213-A215 PolarHBondContact O-N 3.04Å; N213-A215 VanDerWaalsContact O-N 3.14Å; N213-A215 PolarHBondContact OD1-N 3Å; N213-A215 VanDerWaalsContact OD1-N 3.16Å
216	E	90.4	Very high	91	Very high	137 Å²	137	73.1 Å²	73.1	64%	0.64	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-101	4.2	178.9	-60.3	166.2	-161.9	0	0	112.5	N213 L214	N213-E216 HydrophobicContact CB-CG 4.32Å; N213-E216 WeakPolarHBondContact O-CB 3.33Å; N213-E216 PolarHBondContact O-N 3.11Å; L214-E216 PolarHBondContact O-N 3.14Å
217	T	91.5	Very high	90.5	Very high	24 Å²	24	75.3 Å²	75.3	15%	0.147	35%	0.353	C	S	.	.	S	Bend	trans	-110.4	154.8	-172.1	68.5	0	0	0	0	111.8	G190 Q191 P212 N213 L214 W219	G190-T217 WeakPolarHBondContact O-CG2 3.46Å; Q191-T217 HydrophobicContact CG-CG2 4.26Å; Q191-T217 PolarHBondContact NE2-OG1 3Å; P212-T217 HydrophobicContact CB-CG2 4.22Å; N213-T217 WeakPolarHBondContact O-CG2 3.3Å; L214-T217 PolarHBondContact O-N 2.97Å; L214-T217 PolarHBondContact O-OG1 2.99Å; T217-W219 PolarHBondContact OG1-NE1 3.16Å
218	S	88.4	Confident	90.2	Very high	57 Å²	57	66.6 Å²	66.6	40%	0.399	33%	0.325	S	S	.	.			trans	-104.1	131.2	178.5	176.6	0	0	0	0	110.7	G189 Q191 R220	G189-S218 CarbonylContact C-O 3.48Å; G189-S218 WeakPolarHBondContact CA-O 3.3Å; G189-S218 PolarHBondContact O-N 3.21Å; Q191-S218 PolarHBondContact NE2-O 3.41Å; S218-R220 PolarHBondContact OG-N 3.23Å
219	W	85	Confident	89.9	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.015	29%	0.29	C	S	.	.			trans	-109.2	19.7	177	-64.7	95.3	0	0	0	112.6	C44 F46 Y81 M138 V139 L186 Q191 L214 T217 Y221	C44-W219 HydrophobicContact CB-CB 4.48Å; F46-W219 HydrophobicContact CD2-CB 4.28Å; F46-W219 AromaticContact CD2-CD1 3.64Å; F46-W219 HydrophobicContact CD2-CG 4.2Å; F46-W219 HydrophobicContact CE2-CB 3.42Å; F46-W219 VanDerWaalsContact CE2-CB 3.42Å; F46-W219 AromaticContact CE2-CD1 3.37Å; F46-W219 AromaticContact CE2-CG 3.49Å; F46-W219 HydrophobicContact CE2-CG 3.49Å; F46-W219 VanDerWaalsContact CE2-CG 3.49Å; F46-W219 HydrophobicContact CZ-CB 4.11Å; F46-W219 HydrophobicContact CZ-CG 4.47Å; Y81-W219 HydrophobicContact CD1-CD2 4.12Å; Y81-W219 AromaticContact CD1-CE2 3.93Å; Y81-W219 HydrophobicContact CD1-CG 4.25Å; Y81-W219 HydrophobicContact CD1-CZ2 4.37Å; Y81-W219 HydrophobicContact CE1-CD2 4.37Å; M138-W219 HydrophobicContact CB-CE3 4.46Å; M138-W219 HydrophobicContact CB-CH2 4.06Å; M138-W219 HydrophobicContact CB-CZ3 3.49Å; M138-W219 VanDerWaalsContact CB-CZ3 3.49Å; V139-W219 HydrophobicContact CB-CH2 4.38Å; V139-W219 HydrophobicContact CG2-CH2 3.65Å; V139-W219 HydrophobicContact CG2-CZ2 3.58Å; L186-W219 HydrophobicContact CD2-CH2 4.46Å; L186-W219 HydrophobicContact CD2-CZ3 4.4Å; Q191-W219 HydrophobicContact CG-CD2 4.36Å; Q191-W219 HydrophobicContact CG-CE3 4.32Å; Q191-W219 HydrophobicContact CG-CH2 3.54Å; Q191-W219 HydrophobicContact CG-CZ2 3.51Å; Q191-W219 HydrophobicContact CG-CZ3 3.91Å; L214-W219 HydrophobicContact CD2-CZ2 3.85Å; T217-W219 PolarHBondContact OG1-NE1 3.16Å; W219-Y221 VanDerWaalsContact CE3-OH 3.25Å; W219-Y221 VanDerWaalsContact O-CD2 3.26Å; W219-Y221 WeakPolarHBondContact O-CD2 3.33Å; W219-Y221 VanDerWaalsContact O-CE2 3.3Å; W219-Y221 WeakPolarHBondContact O-CE2 3.3Å
220	R	77.4	Confident	89.5	Confident	142 Å²	142	55.9 Å²	55.9	54%	0.536	28%	0.278	S	S	.	.			trans	-78.5	117.9	171.6	-62.7	-178.8	-179.6	169.2	3.1	107.6	C44 D45 S218	C44-R220 HydrophobicContact CB-CG 4.38Å; D45-R220 IonicContact OD2-NH2 2.95Å; D45-R220 PolarHBondContact OD2-NH2 3.06Å; S218-R220 PolarHBondContact OG-N 3.23Å
221	Y	65.6	Low	88.8	Confident	139 Å²	139	59.8 Å²	59.8	55%	0.545	30%	0.295	S	S	.	.			trans	-100.3	0	174.6	-56	-86	0	0	0	109.1	M138 W219	M138-Y221 WeakPolarHBondContact CG-OH 3.46Å; W219-Y221 VanDerWaalsContact CE3-OH 3.25Å; W219-Y221 VanDerWaalsContact O-CD2 3.26Å; W219-Y221 WeakPolarHBondContact O-CD2 3.33Å; W219-Y221 VanDerWaalsContact O-CE2 3.3Å; W219-Y221 WeakPolarHBondContact O-CE2 3.3Å

Retrieved 221 of 221 residues in 134.4 ms (Link to these results)

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