A0A060X281_ONCMY Loading...

Calcineurin B homologous protein 3

AlphaFold DB , UniProt , Accession A0A060X281, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110526012, Length 218 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	42.5	Very low	50.9	Low	247 Å²	247	112.9 Å²	112.9	100%	1.217	63%	0.63	S	S	*	*				0	76.5	0	-66.6	-156.4	-68.6	0	0	109.4
2	G	41.3	Very low	52.8	Low	46 Å²	46	111.1 Å²	111.1	47%	0.474	61%	0.613	S	S	.	*			trans	-146	-27.3	-174	0	0	0	0	0	114.8	S4 S6	G2-S4 PolarHBondContact O-N 3.46Å; G2-S6 PolarHBondContact O-N 2.66Å; G2-S6 PolarHBondContact O-OG 2.99Å
3	A	39.5	Very low	54.8	Low	77 Å²	77	106.5 Å²	106.5	64%	0.636	58%	0.583	S	S	*	*	H	α-helix	trans	-69.4	-27.6	-177.5	0	0	0	0	0	114.6	S6 A7	A3-S6 PolarHBondContact O-OG 3.02Å; A3-S6 VanDerWaalsContact O-OG 3.06Å; A3-A7 WeakPolarHBondContact O-CB 3.34Å; A3-A7 PolarHBondContact O-N 3.35Å
4	S	39	Very low	56.6	Low	106 Å²	106	104.5 Å²	104.5	74%	0.741	57%	0.568	S	S	*	*	H	α-helix	trans	-83.9	-26.4	-177.7	-50	0	0	0	0	113.5	G2	G2-S4 PolarHBondContact O-N 3.46Å
5	Q	45.6	Very low	58.4	Low	150 Å²	150	102.4 Å²	102.4	70%	0.701	56%	0.556	S	S	*	*	H	α-helix	trans	-77.3	-43.6	173.1	-82.5	-179.6	-14.2	0	0	110.5	A7 R8 T9	Q5-A7 PolarHBondContact O-N 3.12Å; Q5-R8 PolarHBondContact O-N 3Å; Q5-T9 PolarHBondContact O-N 3.07Å; Q5-T9 VanDerWaalsContact O-N 3.08Å; Q5-T9 PolarHBondContact O-OG1 2.78Å
6	S	50.9	Low	60	Low	67 Å²	67	97 Å²	97	47%	0.469	53%	0.527	S	S	.	.	H	α-helix	trans	-60.1	-43.7	178.4	57.4	0	0	0	0	112.9	G2 A3 R8 T9 E10	G2-S6 PolarHBondContact O-N 2.66Å; G2-S6 PolarHBondContact O-OG 2.99Å; A3-S6 PolarHBondContact O-OG 3.02Å; A3-S6 VanDerWaalsContact O-OG 3.06Å; S6-R8 VanDerWaalsContact C-N 3.31Å; S6-R8 PolarHBondContact O-N 3.28Å; S6-T9 PolarHBondContact O-N 3.33Å; S6-E10 VanDerWaalsContact O-CB 3.32Å; S6-E10 WeakPolarHBondContact O-CB 3.24Å; S6-E10 PolarHBondContact O-N 3.44Å
7	A	52.5	Low	61.5	Low	58 Å²	58	91.8 Å²	91.8	48%	0.479	50%	0.499	S	S	.	.	H	α-helix	trans	-65.5	-32.7	179.4	0	0	0	0	0	113.2	A3 Q5 H11	A3-A7 WeakPolarHBondContact O-CB 3.34Å; A3-A7 PolarHBondContact O-N 3.35Å; Q5-A7 PolarHBondContact O-N 3.12Å; A7-H11 PolarHBondContact O-N 2.99Å; A7-H11 VanDerWaalsContact O-N 3.16Å
8	R	55	Low	62.7	Low	176 Å²	176	93.1 Å²	93.1	66%	0.664	51%	0.506	S	S	*	.	H	α-helix	trans	-74.1	-42.9	178.7	-171.8	174.2	173	169.2	1.6	111.4	Q5 S6 E10 H11 E12	Q5-R8 PolarHBondContact O-N 3Å; S6-R8 VanDerWaalsContact C-N 3.31Å; S6-R8 PolarHBondContact O-N 3.28Å; R8-E10 VanDerWaalsContact C-N 3.3Å; R8-E10 PolarHBondContact O-N 3.13Å; R8-H11 PolarHBondContact O-N 3.17Å; R8-E12 IonicContact NE-OE1 3.52Å; R8-E12 VanDerWaalsContact O-CG 3.31Å; R8-E12 WeakPolarHBondContact O-CG 3.4Å; R8-E12 PolarHBondContact O-N 3.1Å
9	T	61.4	Low	63.7	Low	58 Å²	58	94.5 Å²	94.5	36%	0.356	50%	0.503	S	S	.	.	H	α-helix	trans	-66.6	-33.8	176.7	-42.2	0	0	0	0	111.8	Q5 S6 E12 F13	Q5-T9 PolarHBondContact O-N 3.07Å; Q5-T9 VanDerWaalsContact O-N 3.08Å; Q5-T9 PolarHBondContact O-OG1 2.78Å; S6-T9 PolarHBondContact O-N 3.33Å; T9-E12 PolarHBondContact O-N 2.73Å; T9-F13 HydrophobicContact CG2-CD2 4.06Å; T9-F13 HydrophobicContact CG2-CE2 3.42Å; T9-F13 VanDerWaalsContact CG2-CE2 3.42Å; T9-F13 HydrophobicContact CG2-CZ 3.83Å; T9-F13 WeakPolarHBondContact O-CD2 3.47Å; T9-F13 WeakPolarHBondContact O-CG 3.32Å; T9-F13 PolarHBondContact O-N 3.14Å
10	E	62.7	Low	64.7	Low	136 Å²	136	90 Å²	90	64%	0.636	48%	0.479	S	S	*	.	H	α-helix	trans	-69.9	-39.1	176.6	-163.2	157.3	-149.4	0	0	112.2	S6 R8 F13 Q14	S6-E10 VanDerWaalsContact O-CB 3.32Å; S6-E10 WeakPolarHBondContact O-CB 3.24Å; S6-E10 PolarHBondContact O-N 3.44Å; R8-E10 VanDerWaalsContact C-N 3.3Å; R8-E10 PolarHBondContact O-N 3.13Å; E10-F13 PolarHBondContact O-N 3.24Å; E10-Q14 PolarHBondContact O-N 3.32Å
11	H	69.6	Low	65.5	Low	121 Å²	121	87.3 Å²	87.3	56%	0.56	47%	0.473	S	S	*	.	H	α-helix	trans	-65.4	-42.6	171.4	-166.8	-71.1	0	0	0	112.1	A7 R8 F13 Q14 D15	A7-H11 PolarHBondContact O-N 2.99Å; A7-H11 VanDerWaalsContact O-N 3.16Å; R8-H11 PolarHBondContact O-N 3.17Å; H11-F13 VanDerWaalsContact C-N 3.33Å; H11-F13 PolarHBondContact O-N 3.41Å; H11-Q14 PolarHBondContact O-N 2.76Å; H11-Q14 VanDerWaalsContact O-N 3.15Å; H11-D15 IonicContact CE1-OD1 2.81Å; H11-D15 PolarHBondContact CE1-OD1 3.27Å; H11-D15 IonicContact CE1-OD2 2.68Å; H11-D15 PolarHBondContact CE1-OD2 3.41Å; H11-D15 IonicContact ND1-OD1 2.75Å; H11-D15 IonicContact ND1-OD2 3.95Å; H11-D15 PolarHBondContact ND1-OD2 2.99Å; H11-D15 PolarHBondContact O-N 3.27Å
12	E	73.6	Confident	67.6	Low	91 Å²	91	75.8 Å²	75.8	43%	0.425	42%	0.416	S	S	.	.	H	α-helix	trans	-61.5	-40	176.7	-74.9	168	-176.6	0	0	111.7	R8 T9 L16	R8-E12 IonicContact NE-OE1 3.52Å; R8-E12 VanDerWaalsContact O-CG 3.31Å; R8-E12 WeakPolarHBondContact O-CG 3.4Å; R8-E12 PolarHBondContact O-N 3.1Å; T9-E12 PolarHBondContact O-N 2.73Å; E12-L16 WeakPolarHBondContact O-CB 3.34Å; E12-L16 WeakPolarHBondContact O-CD1 3.45Å; E12-L16 WeakPolarHBondContact O-CG 3.28Å; E12-L16 PolarHBondContact O-N 3.29Å; E12-L16 VanDerWaalsContact O-N 3.07Å
13	F	78.3	Confident	69.8	Low	51 Å²	51	76.2 Å²	76.2	22%	0.224	41%	0.412	C	S	.	.	H	α-helix	trans	-70.4	-30.6	174.5	-68.7	-45	0	0	0	113.4	T9 E10 H11 L16 A17 L24 I27 N31 F87	T9-F13 HydrophobicContact CG2-CD2 4.06Å; T9-F13 HydrophobicContact CG2-CE2 3.42Å; T9-F13 VanDerWaalsContact CG2-CE2 3.42Å; T9-F13 HydrophobicContact CG2-CZ 3.83Å; T9-F13 WeakPolarHBondContact O-CD2 3.47Å; T9-F13 WeakPolarHBondContact O-CG 3.32Å; T9-F13 PolarHBondContact O-N 3.14Å; E10-F13 PolarHBondContact O-N 3.24Å; H11-F13 VanDerWaalsContact C-N 3.33Å; H11-F13 PolarHBondContact O-N 3.41Å; F13-L16 HydrophobicContact CD1-CD1 4.21Å; F13-A17 WeakPolarHBondContact O-CB 3.46Å; F13-A17 PolarHBondContact O-N 2.62Å; F13-L24 HydrophobicContact CB-CD2 3.95Å; F13-I27 HydrophobicContact CB-CG2 4.39Å; F13-I27 HydrophobicContact CD1-CG2 3.43Å; F13-I27 VanDerWaalsContact CD1-CG2 3.43Å; F13-I27 HydrophobicContact CE1-CG2 4Å; F13-I27 HydrophobicContact CG-CG2 4.11Å; F13-I27 WeakPolarHBondContact O-CD1 3.47Å; F13-N31 VanDerWaalsContact CZ-ND2 3.26Å; F13-N31 WeakPolarHBondContact CZ-ND2 3.39Å; F13-F87 HydrophobicContact CD1-CE1 4.21Å; F13-F87 HydrophobicContact CE1-CD1 4.27Å; F13-F87 AromaticContact CE1-CE1 3.73Å; F13-F87 HydrophobicContact CE1-CE1 3.73Å
14	Q	80.9	Confident	72	Confident	79 Å²	79	76.4 Å²	76.4	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-68.4	-45.2	174.2	-170.8	59.7	47.5	0	0	111.3	E10 H11 L16 A17 D18	E10-Q14 PolarHBondContact O-N 3.32Å; H11-Q14 PolarHBondContact O-N 2.76Å; H11-Q14 VanDerWaalsContact O-N 3.15Å; Q14-L16 VanDerWaalsContact C-N 3.26Å; Q14-L16 PolarHBondContact O-N 3.28Å; Q14-A17 WeakPolarHBondContact O-CB 3.38Å; Q14-A17 PolarHBondContact O-N 3.36Å; Q14-A17 VanDerWaalsContact O-N 3.09Å; Q14-D18 PolarHBondContact NE2-OD1 2.88Å; Q14-D18 PolarHBondContact O-N 3.08Å
15	D	83.5	Confident	74.1	Confident	73 Å²	73	79 Å²	79	39%	0.39	40%	0.403	S	S	.	.	H	α-helix	trans	-60.5	-39	175.7	-68.1	-26.5	0	0	0	111.3	H11 D18 R19	H11-D15 IonicContact CE1-OD1 2.81Å; H11-D15 PolarHBondContact CE1-OD1 3.27Å; H11-D15 IonicContact CE1-OD2 2.68Å; H11-D15 PolarHBondContact CE1-OD2 3.41Å; H11-D15 IonicContact ND1-OD1 2.75Å; H11-D15 IonicContact ND1-OD2 3.95Å; H11-D15 PolarHBondContact ND1-OD2 2.99Å; H11-D15 PolarHBondContact O-N 3.27Å; D15-D18 PolarHBondContact O-N 3.19Å; D15-R19 WeakPolarHBondContact O-CB 3.43Å; D15-R19 VanDerWaalsContact O-CG 3.29Å; D15-R19 WeakPolarHBondContact O-CG 3.44Å; D15-R19 PolarHBondContact O-N 3.3Å; D15-R19 VanDerWaalsContact O-N 3.09Å
16	L	83.6	Confident	76	Confident	16 Å²	16	74.6 Å²	74.6	8%	0.084	38%	0.382	C	S	.	.	H	α-helix	trans	-67.3	-39.2	174.7	-71.2	169.4	0	0	0	112	E12 F13 Q14 D18 R19 T20 I27 F87 E88 L91	E12-L16 WeakPolarHBondContact O-CB 3.34Å; E12-L16 WeakPolarHBondContact O-CD1 3.45Å; E12-L16 WeakPolarHBondContact O-CG 3.28Å; E12-L16 PolarHBondContact O-N 3.29Å; E12-L16 VanDerWaalsContact O-N 3.07Å; F13-L16 HydrophobicContact CD1-CD1 4.21Å; Q14-L16 VanDerWaalsContact C-N 3.26Å; Q14-L16 PolarHBondContact O-N 3.28Å; L16-D18 VanDerWaalsContact C-N 3.34Å; L16-R19 PolarHBondContact O-N 2.95Å; L16-T20 WeakPolarHBondContact O-CB 3.48Å; L16-T20 WeakPolarHBondContact O-CG2 3.28Å; L16-T20 PolarHBondContact O-N 2.89Å; L16-T20 PolarHBondContact O-OG1 2.82Å; L16-I27 HydrophobicContact CB-CD1 4.13Å; L16-F87 HydrophobicContact CD1-CD1 4.22Å; L16-F87 HydrophobicContact CD1-CE1 4.19Å; L16-E88 HydrophobicContact CD2-CB 4.03Å; L16-E88 HydrophobicContact CD2-CG 3.72Å; L16-L91 HydrophobicContact CB-CD1 4.1Å; L16-L91 HydrophobicContact CD1-CD1 3.99Å; L16-L91 HydrophobicContact CD2-CD1 4.29Å; L16-L91 HydrophobicContact CG-CD1 4.36Å
17	A	84.9	Confident	77.7	Confident	8 Å²	8	71.5 Å²	71.5	7%	0.066	36%	0.36	C	S	.	.	H	α-helix	trans	-59.8	-45.5	174.5	0	0	0	0	0	111	F13 Q14 R19 G21 F22 L24 I27	F13-A17 WeakPolarHBondContact O-CB 3.46Å; F13-A17 PolarHBondContact O-N 2.62Å; Q14-A17 WeakPolarHBondContact O-CB 3.38Å; Q14-A17 PolarHBondContact O-N 3.36Å; Q14-A17 VanDerWaalsContact O-N 3.09Å; A17-R19 PolarHBondContact O-N 3.13Å; A17-G21 WeakPolarHBondContact O-CA 3.24Å; A17-G21 PolarHBondContact O-N 3.04Å; A17-F22 WeakPolarHBondContact CA-O 3.35Å; A17-F22 VanDerWaalsContact CB-O 3.28Å; A17-F22 WeakPolarHBondContact CB-O 3.33Å; A17-L24 HydrophobicContact CB-CD2 4.27Å; A17-I27 HydrophobicContact CB-CD1 3.7Å
18	D	83.4	Confident	79.3	Confident	115 Å²	115	70 Å²	70	62%	0.615	35%	0.35	S	S	*	.	H	α-helix	trans	-67.5	-37.1	-178.8	-65.2	-15.5	0	0	0	111.7	Q14 D15 L16	Q14-D18 PolarHBondContact NE2-OD1 2.88Å; Q14-D18 PolarHBondContact O-N 3.08Å; D15-D18 PolarHBondContact O-N 3.19Å; L16-D18 VanDerWaalsContact C-N 3.34Å
19	R	82.9	Confident	80.8	Confident	120 Å²	120	64.9 Å²	64.9	45%	0.453	34%	0.336	S	S	.	.	H	α-helix	trans	-76.1	-34.1	-179.4	-73.5	175.1	61.5	-168.8	-7.1	114.5	D15 L16 A17 E88	D15-R19 WeakPolarHBondContact O-CB 3.43Å; D15-R19 VanDerWaalsContact O-CG 3.29Å; D15-R19 WeakPolarHBondContact O-CG 3.44Å; D15-R19 PolarHBondContact O-N 3.3Å; D15-R19 VanDerWaalsContact O-N 3.09Å; L16-R19 PolarHBondContact O-N 2.95Å; A17-R19 PolarHBondContact O-N 3.13Å; R19-E88 IonicContact CZ-OE1 2.72Å; R19-E88 IonicContact NH1-OE1 3.08Å; R19-E88 PolarHBondContact NH1-OE1 2.9Å; R19-E88 IonicContact NH1-OE2 2.8Å; R19-E88 IonicContact NH2-OE1 3.89Å; R19-E88 PolarHBondContact NH2-OE1 3.15Å
20	T	82.1	Confident	82.2	Confident	4 Å²	4	62.6 Å²	62.6	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-104.6	-17.8	-173.3	65.5	0	0	0	0	112.6	L16 F22 L91 M92 R98	L16-T20 WeakPolarHBondContact O-CB 3.48Å; L16-T20 WeakPolarHBondContact O-CG2 3.28Å; L16-T20 PolarHBondContact O-N 2.89Å; L16-T20 PolarHBondContact O-OG1 2.82Å; T20-F22 PolarHBondContact O-N 3.15Å; T20-F22 VanDerWaalsContact OG1-CD2 3.31Å; T20-F22 WeakPolarHBondContact OG1-CD2 3.5Å; T20-F22 PolarHBondContact OG1-N 3.07Å; T20-L91 HydrophobicContact CG2-CB 4.06Å; T20-M92 HydrophobicContact CG2-SD 3.88Å; T20-R98 WeakPolarHBondContact O-CD 3.5Å; T20-R98 PolarHBondContact O-NH1 3.27Å
21	G	83.1	Confident	83.4	Confident	34 Å²	34	57.9 Å²	57.9	35%	0.351	30%	0.301	S	S	.	.			trans	65.1	18.1	-173.8	0	0	0	0	0	114.6	A17 R98	A17-G21 WeakPolarHBondContact O-CA 3.24Å; A17-G21 PolarHBondContact O-N 3.04Å; G21-R98 PolarHBondContact O-NE 2.91Å; G21-R98 PolarHBondContact O-NH1 3.29Å; G21-R98 PolarHBondContact O-NH2 3.29Å
22	F	86.1	Confident	84.2	Confident	5 Å²	5	58.4 Å²	58.4	2%	0.022	30%	0.301	C	S	.	.			trans	-75.5	147.7	168.4	-73.6	-65	0	0	0	110.7	A17 T20 Q26 I27 L30 L91 M94 R98 F206	A17-F22 WeakPolarHBondContact CA-O 3.35Å; A17-F22 VanDerWaalsContact CB-O 3.28Å; A17-F22 WeakPolarHBondContact CB-O 3.33Å; T20-F22 PolarHBondContact O-N 3.15Å; T20-F22 VanDerWaalsContact OG1-CD2 3.31Å; T20-F22 WeakPolarHBondContact OG1-CD2 3.5Å; T20-F22 PolarHBondContact OG1-N 3.07Å; F22-Q26 HydrophobicContact CB-CB 4.1Å; F22-Q26 HydrophobicContact CD1-CB 3.99Å; F22-Q26 HydrophobicContact CG-CB 4.42Å; F22-I27 HydrophobicContact CB-CD1 4.21Å; F22-I27 HydrophobicContact CB-CG1 3.67Å; F22-L30 HydrophobicContact CD1-CD1 4.2Å; F22-L30 HydrophobicContact CD2-CD1 4.12Å; F22-L30 HydrophobicContact CE1-CD1 4.03Å; F22-L30 HydrophobicContact CE2-CD1 3.98Å; F22-L30 HydrophobicContact CG-CD1 4.26Å; F22-L30 HydrophobicContact CZ-CD1 3.93Å; F22-L91 HydrophobicContact CD2-CD2 4.32Å; F22-L91 HydrophobicContact CE2-CD2 4.48Å; F22-M94 HydrophobicContact CE2-CB 4.13Å; F22-M94 HydrophobicContact CZ-CB 4.05Å; F22-R98 HydrophobicContact CD1-CG 4.12Å; F22-R98 HydrophobicContact CE1-CG 3.41Å; F22-R98 VanDerWaalsContact CE1-CG 3.41Å; F22-R98 HydrophobicContact CE2-CG 4.33Å; F22-R98 HydrophobicContact CZ-CG 3.52Å; F22-F206 HydrophobicContact CE1-CD2 4.1Å; F22-F206 AromaticContact CE1-CE2 3.71Å; F22-F206 HydrophobicContact CE1-CE2 3.71Å; F22-F206 HydrophobicContact CE1-CZ 4.13Å; F22-F206 HydrophobicContact CZ-CE2 4.19Å; F22-F206 HydrophobicContact CZ-CZ 4.24Å
23	S	86.2	Confident	84.9	Confident	55 Å²	55	58.4 Å²	58.4	39%	0.385	30%	0.297	S	S	.	.			trans	-70.7	157.4	167.2	71.5	0	0	0	0	110.9	E25 Q26 I27	S23-E25 PolarHBondContact O-N 3.33Å; S23-Q26 WeakPolarHBondContact O-CB 3.45Å; S23-Q26 PolarHBondContact O-N 3.19Å; S23-Q26 WeakPolarHBondContact OG-CG 3.45Å; S23-Q26 PolarHBondContact OG-N 2.73Å; S23-I27 WeakPolarHBondContact O-CG1 3.44Å; S23-I27 PolarHBondContact O-N 3.11Å
24	L	85.6	Confident	85.5	Confident	82 Å²	82	56 Å²	56	43%	0.429	29%	0.287	S	S	.	.	H	α-helix	trans	-56.2	-35.3	175.8	-66	175.2	0	0	0	112.3	F13 A17 I27 G28	F13-L24 HydrophobicContact CB-CD2 3.95Å; A17-L24 HydrophobicContact CB-CD2 4.27Å; L24-I27 PolarHBondContact O-N 2.78Å; L24-G28 PolarHBondContact O-N 3.16Å
25	E	84.8	Confident	85.9	Confident	161 Å²	161	56.3 Å²	56.3	75%	0.752	29%	0.285	S	S	*	.	H	α-helix	trans	-65.2	-43	174.5	-64.6	-174.4	167.3	0	0	112.3	S23 G28 N29	S23-E25 PolarHBondContact O-N 3.33Å; E25-G28 PolarHBondContact O-N 3.03Å; E25-N29 PolarHBondContact O-N 2.89Å; E25-N29 PolarHBondContact O-ND2 3.06Å
26	Q	84.9	Confident	86.1	Confident	57 Å²	57	57.6 Å²	57.6	27%	0.266	29%	0.289	S	S	.	.	H	α-helix	trans	-64.2	-42.9	176.1	-73	172.1	-30.9	0	0	111	F22 S23 G28 N29 L30	F22-Q26 HydrophobicContact CB-CB 4.1Å; F22-Q26 HydrophobicContact CD1-CB 3.99Å; F22-Q26 HydrophobicContact CG-CB 4.42Å; S23-Q26 WeakPolarHBondContact O-CB 3.45Å; S23-Q26 PolarHBondContact O-N 3.19Å; S23-Q26 WeakPolarHBondContact OG-CG 3.45Å; S23-Q26 PolarHBondContact OG-N 2.73Å; Q26-G28 VanDerWaalsContact C-N 3.34Å; Q26-G28 PolarHBondContact O-N 3.25Å; Q26-N29 PolarHBondContact O-N 3.41Å; Q26-L30 WeakPolarHBondContact O-CB 3.4Å; Q26-L30 VanDerWaalsContact O-CG 3.28Å; Q26-L30 WeakPolarHBondContact O-CG 3.3Å; Q26-L30 PolarHBondContact O-N 3.25Å
27	I	87.2	Confident	86.4	Confident	1 Å²	1	58 Å²	58	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-44.9	174.7	-69	176.4	0	0	0	110.6	F13 L16 A17 F22 S23 L24 N29 L30 N31 F87 L91	F13-I27 HydrophobicContact CB-CG2 4.39Å; F13-I27 HydrophobicContact CD1-CG2 3.43Å; F13-I27 VanDerWaalsContact CD1-CG2 3.43Å; F13-I27 HydrophobicContact CE1-CG2 4Å; F13-I27 HydrophobicContact CG-CG2 4.11Å; F13-I27 WeakPolarHBondContact O-CD1 3.47Å; L16-I27 HydrophobicContact CB-CD1 4.13Å; A17-I27 HydrophobicContact CB-CD1 3.7Å; F22-I27 HydrophobicContact CB-CD1 4.21Å; F22-I27 HydrophobicContact CB-CG1 3.67Å; S23-I27 WeakPolarHBondContact O-CG1 3.44Å; S23-I27 PolarHBondContact O-N 3.11Å; L24-I27 PolarHBondContact O-N 2.78Å; I27-N29 VanDerWaalsContact C-N 3.34Å; I27-N29 PolarHBondContact O-N 3.04Å; I27-L30 PolarHBondContact O-N 3.33Å; I27-N31 WeakPolarHBondContact O-CB 3.06Å; I27-N31 PolarHBondContact O-N 3.41Å; I27-F87 HydrophobicContact CG2-CE1 3.9Å; I27-F87 HydrophobicContact CG2-CZ 3.93Å; I27-L91 HydrophobicContact CG1-CD1 4.32Å; I27-L91 HydrophobicContact CG2-CD1 4.25Å
28	G	85.9	Confident	86.6	Confident	27 Å²	27	57.7 Å²	57.7	28%	0.278	29%	0.288	S	S	.	.	H	α-helix	trans	-59.5	-42.7	176.3	0	0	0	0	0	112.8	L24 E25 Q26 N31 K32	L24-G28 PolarHBondContact O-N 3.16Å; E25-G28 PolarHBondContact O-N 3.03Å; Q26-G28 VanDerWaalsContact C-N 3.34Å; Q26-G28 PolarHBondContact O-N 3.25Å; G28-N31 PolarHBondContact O-N 3.32Å; G28-K32 WeakPolarHBondContact O-CG 3.44Å; G28-K32 PolarHBondContact O-N 3.16Å
29	N	87	Confident	86.9	Confident	68 Å²	68	58.9 Å²	58.9	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-67.9	-41	176.6	-71.8	-22.8	0	0	0	112.4	E25 Q26 I27 N31 K32 R33	E25-N29 PolarHBondContact O-N 2.89Å; E25-N29 PolarHBondContact O-ND2 3.06Å; Q26-N29 PolarHBondContact O-N 3.41Å; I27-N29 VanDerWaalsContact C-N 3.34Å; I27-N29 PolarHBondContact O-N 3.04Å; N29-N31 VanDerWaalsContact C-N 3.35Å; N29-K32 PolarHBondContact O-N 3.43Å; N29-R33 PolarHBondContact O-N 3.4Å
30	L	88.8	Confident	87	Confident	11 Å²	11	59 Å²	59	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-65.8	-37	175.2	-71.9	169.1	0	0	0	111.6	F22 Q26 I27 R33 F34 F87 F90 L91 M94 F206	F22-L30 HydrophobicContact CD1-CD1 4.2Å; F22-L30 HydrophobicContact CD2-CD1 4.12Å; F22-L30 HydrophobicContact CE1-CD1 4.03Å; F22-L30 HydrophobicContact CE2-CD1 3.98Å; F22-L30 HydrophobicContact CG-CD1 4.26Å; F22-L30 HydrophobicContact CZ-CD1 3.93Å; Q26-L30 WeakPolarHBondContact O-CB 3.4Å; Q26-L30 VanDerWaalsContact O-CG 3.28Å; Q26-L30 WeakPolarHBondContact O-CG 3.3Å; Q26-L30 PolarHBondContact O-N 3.25Å; I27-L30 PolarHBondContact O-N 3.33Å; L30-R33 PolarHBondContact O-N 3.44Å; L30-F34 WeakPolarHBondContact O-CB 3.24Å; L30-F34 PolarHBondContact O-N 3.23Å; L30-F87 HydrophobicContact CB-CE2 4.35Å; L30-F90 HydrophobicContact CB-CE1 4.47Å; L30-F90 HydrophobicContact CD2-CE1 4.23Å; L30-L91 HydrophobicContact CB-CD2 3.78Å; L30-L91 HydrophobicContact CD1-CD2 3.47Å; L30-L91 VanDerWaalsContact CD1-CD2 3.47Å; L30-L91 HydrophobicContact CG-CD2 4.24Å; L30-M94 HydrophobicContact CD2-CE 3.93Å; L30-M94 HydrophobicContact CD2-CG 4.43Å; L30-F206 HydrophobicContact CD2-CD1 4.19Å; L30-F206 HydrophobicContact CD2-CE1 3.88Å
31	N	88.4	Confident	87.3	Confident	36 Å²	36	64.7 Å²	64.7	19%	0.193	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-45.9	175.1	-170.4	-12.3	0	0	0	111.3	F13 I27 G28 N29 R33 F34 R35 F87	F13-N31 VanDerWaalsContact CZ-ND2 3.26Å; F13-N31 WeakPolarHBondContact CZ-ND2 3.39Å; I27-N31 WeakPolarHBondContact O-CB 3.06Å; I27-N31 PolarHBondContact O-N 3.41Å; G28-N31 PolarHBondContact O-N 3.32Å; N29-N31 VanDerWaalsContact C-N 3.35Å; N31-R33 VanDerWaalsContact C-N 3.26Å; N31-R33 PolarHBondContact O-N 2.69Å; N31-F34 WeakPolarHBondContact O-CB 3.49Å; N31-F34 PolarHBondContact O-N 2.88Å; N31-F34 VanDerWaalsContact O-N 3.16Å; N31-R35 WeakPolarHBondContact O-CG 3.38Å; N31-R35 PolarHBondContact O-N 3.05Å; N31-F87 HydrophobicContact CB-CD2 4.44Å; N31-F87 HydrophobicContact CB-CE1 4.12Å; N31-F87 HydrophobicContact CB-CE2 3.72Å; N31-F87 HydrophobicContact CB-CZ 3.51Å
32	K	87.6	Confident	87.5	Confident	132 Å²	132	70.1 Å²	70.1	57%	0.574	34%	0.34	S	S	*	.	H	α-helix	trans	-56	-43.7	172.9	-72.4	172.8	-175.6	170.7	0	111.2	G28 N29 Q36	G28-K32 WeakPolarHBondContact O-CG 3.44Å; G28-K32 PolarHBondContact O-N 3.16Å; N29-K32 PolarHBondContact O-N 3.43Å; K32-Q36 WeakPolarHBondContact O-CG 3.44Å; K32-Q36 PolarHBondContact O-N 2.81Å; K32-Q36 VanDerWaalsContact O-N 3.1Å
33	R	88.7	Confident	87.8	Confident	91 Å²	91	73.1 Å²	73.1	34%	0.343	36%	0.359	S	S	.	.	H	α-helix	trans	-66.9	-41.5	177.6	-173.1	58.7	173.6	-175.9	-0.4	112.1	N29 L30 N31 Q36 L37	N29-R33 PolarHBondContact O-N 3.4Å; L30-R33 PolarHBondContact O-N 3.44Å; N31-R33 VanDerWaalsContact C-N 3.26Å; N31-R33 PolarHBondContact O-N 2.69Å; R33-Q36 WeakPolarHBondContact O-CB 3.43Å; R33-Q36 PolarHBondContact O-N 3.13Å; R33-L37 HydrophobicContact CG-CD1 4.22Å; R33-L37 WeakPolarHBondContact O-CG 3.49Å; R33-L37 PolarHBondContact O-N 3.06Å
34	F	89.5	Confident	88.1	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.009	34%	0.34	C	S	.	.	H	α-helix	trans	-58.6	-49.8	176	178.2	-91.6	0	0	0	111	L30 N31 Q36 L37 S38 L44 G86 F87 F90	L30-F34 WeakPolarHBondContact O-CB 3.24Å; L30-F34 PolarHBondContact O-N 3.23Å; N31-F34 WeakPolarHBondContact O-CB 3.49Å; N31-F34 PolarHBondContact O-N 2.88Å; N31-F34 VanDerWaalsContact O-N 3.16Å; F34-Q36 VanDerWaalsContact C-N 3.3Å; F34-Q36 PolarHBondContact O-N 3.13Å; F34-L37 PolarHBondContact O-N 3.43Å; F34-L37 VanDerWaalsContact O-N 3.07Å; F34-S38 WeakPolarHBondContact O-CB 3.46Å; F34-S38 PolarHBondContact O-N 3.12Å; F34-S38 PolarHBondContact O-OG 3.32Å; F34-L44 HydrophobicContact CD2-CB 4.44Å; F34-L44 HydrophobicContact CD2-CD2 4.45Å; F34-L44 HydrophobicContact CE2-CB 3.64Å; F34-L44 HydrophobicContact CE2-CD2 4.32Å; F34-L44 HydrophobicContact CZ-CB 4Å; F34-G86 WeakPolarHBondContact CE2-O 3.13Å; F34-F87 HydrophobicContact CB-CD2 3.8Å; F34-F87 HydrophobicContact CB-CE2 4.18Å; F34-F87 HydrophobicContact CD1-CB 4.26Å; F34-F87 HydrophobicContact CD1-CD2 4.15Å; F34-F87 HydrophobicContact CD2-CD2 4.18Å; F34-F87 HydrophobicContact CE1-CB 4.19Å; F34-F87 AromaticContact CG-CD2 3.78Å; F34-F87 HydrophobicContact CG-CD2 3.78Å; F34-F87 HydrophobicContact CZ-CB 4.35Å; F34-F90 HydrophobicContact CB-CD1 4.39Å; F34-F90 HydrophobicContact CB-CE1 4.49Å; F34-F90 HydrophobicContact CD2-CB 3.76Å; F34-F90 HydrophobicContact CD2-CD1 4.06Å; F34-F90 HydrophobicContact CD2-CD2 4.06Å; F34-F90 AromaticContact CD2-CG 3.69Å; F34-F90 HydrophobicContact CD2-CG 3.69Å; F34-F90 HydrophobicContact CE2-CB 3.93Å; F34-F90 HydrophobicContact CE2-CG 4.31Å
35	R	89.2	Confident	88.4	Confident	84 Å²	84	67.9 Å²	67.9	32%	0.317	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-36	177.1	-68.6	-68.7	-175.3	178.7	0.2	112.9	N31 S38 K39 N40 E41	N31-R35 WeakPolarHBondContact O-CG 3.38Å; N31-R35 PolarHBondContact O-N 3.05Å; R35-S38 WeakPolarHBondContact CA-OG 3.32Å; R35-S38 PolarHBondContact O-OG 2.97Å; R35-K39 PolarHBondContact O-N 3.36Å; R35-K39 VanDerWaalsContact O-N 3.14Å; R35-N40 PolarHBondContact NH1-O 3.08Å; R35-N40 PolarHBondContact O-N 2.9Å; R35-E41 PolarHBondContact NH1-O 3.42Å; R35-E41 VanDerWaalsContact NH1-O 3.11Å
36	Q	88.6	Confident	88.7	Confident	101 Å²	101	62.8 Å²	62.8	47%	0.472	30%	0.303	S	S	.	.	H	α-helix	trans	-64.3	-43	173.6	-74.2	172.5	-1.5	0	0	112	K32 R33 F34 M214	K32-Q36 WeakPolarHBondContact O-CG 3.44Å; K32-Q36 PolarHBondContact O-N 2.81Å; K32-Q36 VanDerWaalsContact O-N 3.1Å; R33-Q36 WeakPolarHBondContact O-CB 3.43Å; R33-Q36 PolarHBondContact O-N 3.13Å; F34-Q36 VanDerWaalsContact C-N 3.3Å; F34-Q36 PolarHBondContact O-N 3.13Å; Q36-M214 VanDerWaalsContact OE1-CE 3.26Å
37	L	88.8	Confident	88.9	Confident	24 Å²	24	67.7 Å²	67.7	13%	0.126	33%	0.326	C	S	.	.	H	α-helix	trans	-70.5	-40.9	179.9	-66.6	172.2	0	0	0	111.4	R33 F34 K39 L44 D48 L49 I52	R33-L37 HydrophobicContact CG-CD1 4.22Å; R33-L37 WeakPolarHBondContact O-CG 3.49Å; R33-L37 PolarHBondContact O-N 3.06Å; F34-L37 PolarHBondContact O-N 3.43Å; F34-L37 VanDerWaalsContact O-N 3.07Å; L37-K39 PolarHBondContact O-N 3.3Å; L37-L44 HydrophobicContact CB-CD1 3.65Å; L37-D48 WeakPolarHBondContact O-CB 3.07Å; L37-L49 HydrophobicContact CD1-CD2 4.07Å; L37-I52 HydrophobicContact CD1-CD1 4.46Å; L37-I52 HydrophobicContact CD2-CD1 3.67Å; L37-I52 HydrophobicContact CD2-CG1 3.72Å
38	S	89.2	Confident	89.1	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.014	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	2.8	178.7	70.6	0	0	0	0	114.2	F34 R35 N40 E41 T43	F34-S38 WeakPolarHBondContact O-CB 3.46Å; F34-S38 PolarHBondContact O-N 3.12Å; F34-S38 PolarHBondContact O-OG 3.32Å; R35-S38 WeakPolarHBondContact CA-OG 3.32Å; R35-S38 PolarHBondContact O-OG 2.97Å; S38-N40 PolarHBondContact O-N 3.49Å; S38-E41 WeakPolarHBondContact CB-O 3.26Å; S38-E41 VanDerWaalsContact O-CB 3.24Å; S38-E41 WeakPolarHBondContact O-CB 3.37Å; S38-E41 WeakPolarHBondContact O-CG 3.28Å; S38-E41 PolarHBondContact O-N 3.43Å; S38-E41 PolarHBondContact OG-N 3.24Å; S38-E41 PolarHBondContact OG-O 2.8Å; S38-T43 WeakPolarHBondContact CB-O 3.4Å
39	K	89.9	Confident	89.2	Confident	140 Å²	140	67.8 Å²	67.8	61%	0.609	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	38.5	-174.8	-55.1	166.4	-172.1	140.5	0	112.6	R35 L37 E41 D48	R35-K39 PolarHBondContact O-N 3.36Å; R35-K39 VanDerWaalsContact O-N 3.14Å; L37-K39 PolarHBondContact O-N 3.3Å; K39-E41 VanDerWaalsContact C-N 3.3Å; K39-D48 IonicContact NZ-OD1 2.99Å; K39-D48 PolarHBondContact NZ-OD1 2.86Å
40	N	85.4	Confident	89.3	Confident	122 Å²	122	65.8 Å²	65.8	65%	0.652	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	5.3	-175.1	-55	-59.4	0	0	0	116.2	R35 S38	R35-N40 PolarHBondContact NH1-O 3.08Å; R35-N40 PolarHBondContact O-N 2.9Å; S38-N40 PolarHBondContact O-N 3.49Å
41	E	89.4	Confident	89.3	Confident	124 Å²	124	69 Å²	69	58%	0.579	34%	0.336	S	S	*	.			trans	-69.1	160.2	171.6	-63.4	-62.9	157.4	0	0	112	R35 S38 K39 T43	R35-E41 PolarHBondContact NH1-O 3.42Å; R35-E41 VanDerWaalsContact NH1-O 3.11Å; S38-E41 WeakPolarHBondContact CB-O 3.26Å; S38-E41 VanDerWaalsContact O-CB 3.24Å; S38-E41 WeakPolarHBondContact O-CB 3.37Å; S38-E41 WeakPolarHBondContact O-CG 3.28Å; S38-E41 PolarHBondContact O-N 3.43Å; S38-E41 PolarHBondContact OG-N 3.24Å; S38-E41 PolarHBondContact OG-O 2.8Å; K39-E41 VanDerWaalsContact C-N 3.3Å; E41-T43 VanDerWaalsContact C-N 3.29Å
42	E	87.3	Confident	89.3	Confident	147 Å²	147	68.7 Å²	68.7	69%	0.687	33%	0.334	S	S	*	.	S	Bend	trans	-78.4	-14.4	176.6	-63.8	-171.9	156	0	0	113.2
43	T	91.4	Very high	89.2	Confident	68 Å²	68	66.8 Å²	66.8	42%	0.417	34%	0.337	S	S	.	.	S	Bend	trans	-125.9	151.2	179.8	63.5	0	0	0	0	110.9	S38 E41 I85	S38-T43 WeakPolarHBondContact CB-O 3.4Å; E41-T43 VanDerWaalsContact C-N 3.29Å; T43-I85 CarbonylContact C-O 3.56Å; T43-I85 WeakPolarHBondContact CA-O 3.05Å
44	L	92.3	Very high	89	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.8	178.4	-174.6	73	0	0	0	109.2	F34 L37 D48 L49 F69 V84 I85 F90	F34-L44 HydrophobicContact CD2-CB 4.44Å; F34-L44 HydrophobicContact CD2-CD2 4.45Å; F34-L44 HydrophobicContact CE2-CB 3.64Å; F34-L44 HydrophobicContact CE2-CD2 4.32Å; F34-L44 HydrophobicContact CZ-CB 4Å; L37-L44 HydrophobicContact CB-CD1 3.65Å; L44-D48 HydrophobicContact CD1-CB 3.6Å; L44-D48 HydrophobicContact CG-CB 4.42Å; L44-L49 HydrophobicContact CD2-CD1 4.15Å; L44-L49 HydrophobicContact CD2-CD2 3.71Å; L44-L49 HydrophobicContact CD2-CG 3.75Å; L44-L49 HydrophobicContact CG-CG 4.3Å; L44-F69 WeakPolarHBondContact O-CE1 3.48Å; L44-V84 VanDerWaalsContact O-CA 3.3Å; L44-V84 WeakPolarHBondContact O-CA 3.37Å; L44-I85 HydrophobicContact CB-CG1 3.98Å; L44-I85 HydrophobicContact CD2-CD1 4.24Å; L44-I85 HydrophobicContact CD2-CG1 4.37Å; L44-I85 PolarHBondContact N-O 2.98Å; L44-I85 PolarHBondContact O-N 3.28Å; L44-F90 HydrophobicContact CD2-CD2 4.15Å; L44-F90 HydrophobicContact CD2-CE2 4.49Å
45	S	92.6	Very high	88.7	Confident	27 Å²	27	67.7 Å²	67.7	19%	0.189	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	163.4	177.8	77	0	0	0	0	112.4	Q47 D48 L49	S45-Q47 PolarHBondContact O-N 2.98Å; S45-Q47 PolarHBondContact OG-N 3.49Å; S45-D48 WeakPolarHBondContact CB-OD2 3.39Å; S45-D48 PolarHBondContact N-OD2 2.88Å; S45-D48 VanDerWaalsContact N-OD2 3.08Å; S45-D48 PolarHBondContact O-N 3.32Å; S45-D48 VanDerWaalsContact O-N 3.13Å; S45-D48 VanDerWaalsContact OG-CG 3.26Å; S45-D48 PolarHBondContact OG-N 2.87Å; S45-D48 PolarHBondContact OG-OD2 3.42Å; S45-L49 PolarHBondContact O-N 2.9Å
46	R	90.7	Very high	88.5	Confident	54 Å²	54	67.5 Å²	67.5	20%	0.204	37%	0.366	C	S	.	.	H	α-helix	trans	-54.3	-37.1	172.2	-76.8	170.3	172.8	-99.6	-0.2	112.8	D48 A50 I65 N66 F69 T81 V82	R46-D48 VanDerWaalsContact C-N 3.33Å; R46-A50 VanDerWaalsContact O-CB 3.28Å; R46-A50 WeakPolarHBondContact O-CB 3.47Å; R46-A50 PolarHBondContact O-N 3.44Å; R46-I65 HydrophobicContact CG-CG2 4.5Å; R46-N66 PolarHBondContact NH1-OD1 3.33Å; R46-F69 VanDerWaalsContact CA-CE2 3.5Å; R46-F69 HydrophobicContact CB-CD2 4.39Å; R46-F69 HydrophobicContact CB-CE2 4.04Å; R46-F69 HydrophobicContact CB-CZ 4.27Å; R46-F69 HydrophobicContact CG-CB 4.45Å; R46-F69 HydrophobicContact CG-CD1 3.92Å; R46-F69 HydrophobicContact CG-CD2 3.31Å; R46-F69 HydrophobicContact CG-CE1 3.99Å; R46-F69 HydrophobicContact CG-CE2 3.4Å; R46-F69 HydrophobicContact CG-CG 3.63Å; R46-F69 HydrophobicContact CG-CZ 3.78Å; R46-F69 VanDerWaalsContact NH2-CB 3.34Å; R46-T81 VanDerWaalsContact NH2-CB 3.26Å; R46-V82 PolarHBondContact NE-O 3.28Å
47	Q	89.4	Confident	88.1	Confident	161 Å²	161	69.6 Å²	69.6	75%	0.752	38%	0.381	S	S	*	.	H	α-helix	trans	-68.9	-34.6	-178.9	-65	-179.9	6.9	0	0	111.8	S45 A50 S51	S45-Q47 PolarHBondContact O-N 2.98Å; S45-Q47 PolarHBondContact OG-N 3.49Å; Q47-A50 PolarHBondContact O-N 3Å; Q47-S51 PolarHBondContact O-N 3.39Å
48	D	90.6	Very high	87.9	Confident	21 Å²	21	70.8 Å²	70.8	11%	0.112	39%	0.387	C	S	.	.	H	α-helix	trans	-66.7	-44.2	178.1	-61.9	-48.6	0	0	0	111.1	L37 K39 L44 S45 R46 A50 S51	L37-D48 WeakPolarHBondContact O-CB 3.07Å; K39-D48 IonicContact NZ-OD1 2.99Å; K39-D48 PolarHBondContact NZ-OD1 2.86Å; L44-D48 HydrophobicContact CD1-CB 3.6Å; L44-D48 HydrophobicContact CG-CB 4.42Å; S45-D48 WeakPolarHBondContact CB-OD2 3.39Å; S45-D48 PolarHBondContact N-OD2 2.88Å; S45-D48 VanDerWaalsContact N-OD2 3.08Å; S45-D48 PolarHBondContact O-N 3.32Å; S45-D48 VanDerWaalsContact O-N 3.13Å; S45-D48 VanDerWaalsContact OG-CG 3.26Å; S45-D48 PolarHBondContact OG-N 2.87Å; S45-D48 PolarHBondContact OG-OD2 3.42Å; R46-D48 VanDerWaalsContact C-N 3.33Å; D48-A50 VanDerWaalsContact C-N 3.34Å; D48-S51 PolarHBondContact O-N 3.35Å; D48-S51 PolarHBondContact O-OG 3.08Å
49	L	88.6	Confident	87.6	Confident	8 Å²	8	72.5 Å²	72.5	4%	0.042	40%	0.398	C	S	.	.	H	α-helix	trans	-66.5	-35.7	172	-72.7	-171.5	0	0	0	112.7	L37 L44 S45 S51 I52 I65 F68 F69	L37-L49 HydrophobicContact CD1-CD2 4.07Å; L44-L49 HydrophobicContact CD2-CD1 4.15Å; L44-L49 HydrophobicContact CD2-CD2 3.71Å; L44-L49 HydrophobicContact CD2-CG 3.75Å; L44-L49 HydrophobicContact CG-CG 4.3Å; S45-L49 PolarHBondContact O-N 2.9Å; L49-S51 PolarHBondContact O-N 3.21Å; L49-I52 HydrophobicContact CD2-CD1 3.71Å; L49-I52 WeakPolarHBondContact O-CB 3.43Å; L49-I52 WeakPolarHBondContact O-CD1 3.47Å; L49-I52 VanDerWaalsContact O-CG1 3.28Å; L49-I52 WeakPolarHBondContact O-CG1 3.32Å; L49-I52 PolarHBondContact O-N 3.21Å; L49-I65 HydrophobicContact CB-CG1 4.22Å; L49-I65 HydrophobicContact CB-CG2 4.49Å; L49-F68 HydrophobicContact CD1-CB 3.72Å; L49-F68 HydrophobicContact CD1-CD1 4.16Å; L49-F68 HydrophobicContact CD1-CD2 3.89Å; L49-F68 HydrophobicContact CD1-CG 3.65Å; L49-F69 HydrophobicContact CD1-CE2 3.78Å; L49-F69 HydrophobicContact CD1-CZ 4.23Å; L49-F69 HydrophobicContact CG-CE2 4.42Å
50	A	88.3	Confident	87.4	Confident	26 Å²	26	67.9 Å²	67.9	22%	0.215	38%	0.38	C	S	.	.	H	α-helix	trans	-65.3	-23.8	176.5	0	0	0	0	0	113	R46 Q47 D48 I52 R61 I65	R46-A50 VanDerWaalsContact O-CB 3.28Å; R46-A50 WeakPolarHBondContact O-CB 3.47Å; R46-A50 PolarHBondContact O-N 3.44Å; Q47-A50 PolarHBondContact O-N 3Å; D48-A50 VanDerWaalsContact C-N 3.34Å; A50-I52 PolarHBondContact O-N 3Å; A50-R61 PolarHBondContact O-NH2 2.97Å; A50-I65 HydrophobicContact CB-CD1 3.96Å
51	S	88.8	Confident	87.5	Confident	78 Å²	78	66 Å²	66	55%	0.545	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-5.2	178.5	76.8	0	0	0	0	114.4	Q47 D48 L49 S53	Q47-S51 PolarHBondContact O-N 3.39Å; D48-S51 PolarHBondContact O-N 3.35Å; D48-S51 PolarHBondContact O-OG 3.08Å; L49-S51 PolarHBondContact O-N 3.21Å; S51-S53 PolarHBondContact O-N 3.25Å; S51-S53 VanDerWaalsContact O-N 3.07Å
52	I	88.6	Confident	87.4	Confident	31 Å²	31	62.3 Å²	62.3	16%	0.159	35%	0.354	C	S	.	.			trans	-70.8	105.2	178.9	-59.3	170.9	0	0	0	109.4	L37 L49 A50 A54 L55	L37-I52 HydrophobicContact CD1-CD1 4.46Å; L37-I52 HydrophobicContact CD2-CD1 3.67Å; L37-I52 HydrophobicContact CD2-CG1 3.72Å; L49-I52 HydrophobicContact CD2-CD1 3.71Å; L49-I52 WeakPolarHBondContact O-CB 3.43Å; L49-I52 WeakPolarHBondContact O-CD1 3.47Å; L49-I52 VanDerWaalsContact O-CG1 3.28Å; L49-I52 WeakPolarHBondContact O-CG1 3.32Å; L49-I52 PolarHBondContact O-N 3.21Å; A50-I52 PolarHBondContact O-N 3Å; I52-A54 HydrophobicContact CG2-CB 4.05Å; I52-A54 PolarHBondContact O-N 3.46Å; I52-A54 VanDerWaalsContact O-N 3.15Å; I52-L55 HydrophobicContact CB-CD1 4.08Å; I52-L55 HydrophobicContact CB-CG 4.14Å; I52-L55 HydrophobicContact CD1-CD1 4.16Å; I52-L55 HydrophobicContact CG2-CD1 4.36Å; I52-L55 HydrophobicContact CG2-CG 3.99Å; I52-L55 WeakPolarHBondContact O-CB 3.33Å; I52-L55 PolarHBondContact O-N 3.24Å
53	S	85.6	Confident	87.4	Confident	91 Å²	91	56.2 Å²	56.2	64%	0.636	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-58.3	-30.5	-179	57.5	0	0	0	0	114.1	S51 L55 D56	S51-S53 PolarHBondContact O-N 3.25Å; S51-S53 VanDerWaalsContact O-N 3.07Å; S53-L55 PolarHBondContact O-N 3.01Å; S53-L55 VanDerWaalsContact O-N 3.17Å; S53-D56 WeakPolarHBondContact CA-OD2 3.34Å; S53-D56 WeakPolarHBondContact O-CB 3.35Å; S53-D56 PolarHBondContact O-N 3.21Å; S53-D56 VanDerWaalsContact O-N 3.13Å
54	A	84.2	Confident	87.2	Confident	85 Å²	85	55.3 Å²	55.3	70%	0.702	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-63.2	-18.8	175	0	0	0	0	0	113.4	I52	I52-A54 HydrophobicContact CG2-CB 4.05Å; I52-A54 PolarHBondContact O-N 3.46Å; I52-A54 VanDerWaalsContact O-N 3.15Å
55	L	84.8	Confident	87.1	Confident	27 Å²	27	55.9 Å²	55.9	14%	0.141	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-91.3	-14.9	176.5	-62.7	179.4	0	0	0	113.2	I52 S53 N57 N58 R61 I64	I52-L55 HydrophobicContact CB-CD1 4.08Å; I52-L55 HydrophobicContact CB-CG 4.14Å; I52-L55 HydrophobicContact CD1-CD1 4.16Å; I52-L55 HydrophobicContact CG2-CD1 4.36Å; I52-L55 HydrophobicContact CG2-CG 3.99Å; I52-L55 WeakPolarHBondContact O-CB 3.33Å; I52-L55 PolarHBondContact O-N 3.24Å; S53-L55 PolarHBondContact O-N 3.01Å; S53-L55 VanDerWaalsContact O-N 3.17Å; L55-N57 VanDerWaalsContact C-N 3.28Å; L55-N57 PolarHBondContact O-N 2.75Å; L55-N58 HydrophobicContact CD2-CB 4.47Å; L55-N58 VanDerWaalsContact O-CB 3.24Å; L55-N58 WeakPolarHBondContact O-CB 3.39Å; L55-N58 PolarHBondContact O-N 2.88Å; L55-R61 HydrophobicContact CB-CB 4.42Å; L55-R61 HydrophobicContact CB-CG 3.99Å; L55-R61 WeakPolarHBondContact O-CB 3.19Å; L55-R61 WeakPolarHBondContact O-CD 3.35Å; L55-I64 HydrophobicContact CD2-CD1 4.37Å
56	D	84.1	Confident	86.9	Confident	81 Å²	81	57.6 Å²	57.6	43%	0.433	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-43.4	-171.5	-69.3	-19.3	0	0	0	112.6	S53 K147	S53-D56 WeakPolarHBondContact CA-OD2 3.34Å; S53-D56 WeakPolarHBondContact O-CB 3.35Å; S53-D56 PolarHBondContact O-N 3.21Å; S53-D56 VanDerWaalsContact O-N 3.13Å; D56-K147 PolarHBondContact O-NZ 3.08Å; D56-K147 VanDerWaalsContact O-NZ 3.13Å
57	N	80.7	Confident	86.8	Confident	145 Å²	145	55.1 Å²	55.1	78%	0.775	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-0.4	178.9	-63.3	-40.3	0	0	0	113.4	L55 P59	L55-N57 VanDerWaalsContact C-N 3.28Å; L55-N57 PolarHBondContact O-N 2.75Å; N57-P59 WeakPolarHBondContact O-CD 3.31Å
58	N	84.2	Confident	86.8	Confident	49 Å²	49	48.4 Å²	48.4	26%	0.262	29%	0.287	S	S	.	.			trans	-76.3	124.4	178.4	-166.3	-32.8	0	0	0	109.8	L55 L60 R61 K147	L55-N58 HydrophobicContact CD2-CB 4.47Å; L55-N58 VanDerWaalsContact O-CB 3.24Å; L55-N58 WeakPolarHBondContact O-CB 3.39Å; L55-N58 PolarHBondContact O-N 2.88Å; N58-L60 PolarHBondContact O-N 3.31Å; N58-L60 PolarHBondContact OD1-N 3.05Å; N58-R61 HydrophobicContact CB-CB 4.49Å; N58-R61 WeakPolarHBondContact O-CB 3.39Å; N58-R61 PolarHBondContact O-N 3.46Å; N58-K147 PolarHBondContact O-NZ 3.46Å
59	P	83.8	Confident	86.8	Confident	37 Å²	37	47.4 Å²	47.4	24%	0.24	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-34.4	173.7	-22.6	32.4	0	0	0	112.6	N57 R61 L144 K147	N57-P59 WeakPolarHBondContact O-CD 3.31Å; P59-R61 VanDerWaalsContact C-N 3.26Å; P59-R61 PolarHBondContact O-N 3Å; P59-L144 HydrophobicContact CB-CD2 4.1Å; P59-K147 HydrophobicContact CB-CD 4.27Å; P59-K147 HydrophobicContact CG-CB 3.99Å; P59-K147 HydrophobicContact CG-CD 4.07Å; P59-K147 HydrophobicContact CG-CG 4.47Å
60	L	84.8	Confident	86.8	Confident	44 Å²	44	47.4 Å²	47.4	23%	0.23	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	12	-176.6	-61.5	177.8	0	0	0	113.5	N58 A62 Q63 I64 L144	N58-L60 PolarHBondContact O-N 3.31Å; N58-L60 PolarHBondContact OD1-N 3.05Å; L60-A62 VanDerWaalsContact C-N 3.33Å; L60-A62 PolarHBondContact O-N 3.44Å; L60-Q63 PolarHBondContact O-N 3.5Å; L60-Q63 PolarHBondContact O-OE1 2.67Å; L60-I64 HydrophobicContact CB-CD1 3.93Å; L60-I64 HydrophobicContact CB-CG1 4.16Å; L60-I64 WeakPolarHBondContact O-CB 3.18Å; L60-I64 WeakPolarHBondContact O-CD1 3.44Å; L60-I64 WeakPolarHBondContact O-CG1 3.48Å; L60-I64 PolarHBondContact O-N 2.83Å; L60-L144 HydrophobicContact CD1-CD2 4.48Å; L60-L144 HydrophobicContact CD2-CD2 3.84Å; L60-L144 HydrophobicContact CD2-CG 4.29Å; L60-L144 HydrophobicContact CG-CD2 4.04Å
61	R	87.9	Confident	86.6	Confident	83 Å²	83	48.5 Å²	48.5	31%	0.313	28%	0.282	S	S	.	.	H	α-helix	trans	-54.3	-48.8	-173.7	173.2	175.8	178.9	-99.9	8.4	111.9	A50 L55 N58 P59 I65	A50-R61 PolarHBondContact O-NH2 2.97Å; L55-R61 HydrophobicContact CB-CB 4.42Å; L55-R61 HydrophobicContact CB-CG 3.99Å; L55-R61 WeakPolarHBondContact O-CB 3.19Å; L55-R61 WeakPolarHBondContact O-CD 3.35Å; N58-R61 HydrophobicContact CB-CB 4.49Å; N58-R61 WeakPolarHBondContact O-CB 3.39Å; N58-R61 PolarHBondContact O-N 3.46Å; P59-R61 VanDerWaalsContact C-N 3.26Å; P59-R61 PolarHBondContact O-N 3Å; R61-I65 HydrophobicContact CG-CD1 3.77Å; R61-I65 WeakPolarHBondContact O-CD1 3.46Å; R61-I65 VanDerWaalsContact O-CG1 3.24Å; R61-I65 WeakPolarHBondContact O-CG1 3.31Å; R61-I65 PolarHBondContact O-N 3.45Å
62	A	86.8	Confident	86.3	Confident	46 Å²	46	46.9 Å²	46.9	38%	0.38	26%	0.264	S	S	.	.	H	α-helix	trans	-64.7	-45	-177.2	0	0	0	0	0	110.9	L60 I65 N66	L60-A62 VanDerWaalsContact C-N 3.33Å; L60-A62 PolarHBondContact O-N 3.44Å; A62-I65 PolarHBondContact O-N 3.33Å; A62-N66 WeakPolarHBondContact O-CB 3.22Å; A62-N66 PolarHBondContact O-N 3.26Å; A62-N66 PolarHBondContact O-ND2 3.25Å
63	Q	87.4	Confident	86	Confident	18 Å²	18	45.5 Å²	45.5	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-67.3	-42	-179.8	-58.4	90.2	-21.8	0	0	112.3	L60 I65 N66 A67 M123 E143	L60-Q63 PolarHBondContact O-N 3.5Å; L60-Q63 PolarHBondContact O-OE1 2.67Å; Q63-I65 PolarHBondContact O-N 3.27Å; Q63-N66 PolarHBondContact O-N 2.87Å; Q63-A67 VanDerWaalsContact O-CB 3.31Å; Q63-A67 WeakPolarHBondContact O-CB 3.41Å; Q63-A67 PolarHBondContact O-N 2.89Å; Q63-M123 HydrophobicContact CB-CE 4.46Å; Q63-M123 HydrophobicContact CB-CG 3.43Å; Q63-M123 VanDerWaalsContact CB-CG 3.43Å; Q63-M123 HydrophobicContact CB-SD 3.95Å; Q63-M123 HydrophobicContact CG-CG 4.35Å; Q63-E143 PolarHBondContact NE2-OE2 3.18Å
64	I	87.6	Confident	85.7	Confident	49 Å²	49	41.7 Å²	41.7	25%	0.251	23%	0.229	S	C	.	.	H	α-helix	trans	-58.9	-49.7	175.7	-68.9	164.3	0	0	0	109.6	L55 L60 A67 F68	L55-I64 HydrophobicContact CD2-CD1 4.37Å; L60-I64 HydrophobicContact CB-CD1 3.93Å; L60-I64 HydrophobicContact CB-CG1 4.16Å; L60-I64 WeakPolarHBondContact O-CB 3.18Å; L60-I64 WeakPolarHBondContact O-CD1 3.44Å; L60-I64 WeakPolarHBondContact O-CG1 3.48Å; L60-I64 PolarHBondContact O-N 2.83Å; I64-A67 PolarHBondContact O-N 3.48Å; I64-F68 HydrophobicContact CG2-CD2 4.49Å; I64-F68 HydrophobicContact CG2-CE2 4.27Å; I64-F68 WeakPolarHBondContact O-CD2 3.5Å; I64-F68 PolarHBondContact O-N 3Å
65	I	89.6	Confident	85.1	Confident	12 Å²	12	43.9 Å²	43.9	6%	0.062	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-50.9	178.9	-66.4	164.9	0	0	0	109.5	R46 L49 A50 R61 A62 Q63 A67 F68 F69	R46-I65 HydrophobicContact CG-CG2 4.5Å; L49-I65 HydrophobicContact CB-CG1 4.22Å; L49-I65 HydrophobicContact CB-CG2 4.49Å; A50-I65 HydrophobicContact CB-CD1 3.96Å; R61-I65 HydrophobicContact CG-CD1 3.77Å; R61-I65 WeakPolarHBondContact O-CD1 3.46Å; R61-I65 VanDerWaalsContact O-CG1 3.24Å; R61-I65 WeakPolarHBondContact O-CG1 3.31Å; R61-I65 PolarHBondContact O-N 3.45Å; A62-I65 PolarHBondContact O-N 3.33Å; Q63-I65 PolarHBondContact O-N 3.27Å; I65-A67 VanDerWaalsContact C-N 3.26Å; I65-A67 PolarHBondContact O-N 3.41Å; I65-F68 PolarHBondContact O-N 3.44Å; I65-F68 VanDerWaalsContact O-N 3.12Å; I65-F69 HydrophobicContact CG2-CD2 4.25Å; I65-F69 HydrophobicContact CG2-CE2 4.13Å; I65-F69 WeakPolarHBondContact O-CD2 3.44Å
66	N	88.6	Confident	84.3	Confident	64 Å²	64	46.1 Å²	46.1	34%	0.342	23%	0.229	S	C	.	.	H	α-helix	trans	-57	-39.3	-179.6	-73.4	-21	0	0	0	112.6	R46 A62 Q63 F68 F69 D70	R46-N66 PolarHBondContact NH1-OD1 3.33Å; A62-N66 WeakPolarHBondContact O-CB 3.22Å; A62-N66 PolarHBondContact O-N 3.26Å; A62-N66 PolarHBondContact O-ND2 3.25Å; Q63-N66 PolarHBondContact O-N 2.87Å; N66-F68 VanDerWaalsContact C-N 3.27Å; N66-F68 PolarHBondContact O-N 3.3Å; N66-F69 CarbonylContact O-C 3.51Å; N66-F69 PolarHBondContact O-N 3.12Å; N66-D70 PolarHBondContact O-N 3.33Å; N66-D70 VanDerWaalsContact O-N 3.08Å
67	A	88.7	Confident	83.3	Confident	2 Å²	2	50.2 Å²	50.2	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-29.9	-179.7	0	0	0	0	0	113.4	Q63 I64 I65 F69 N73 F119 M123	Q63-A67 VanDerWaalsContact O-CB 3.31Å; Q63-A67 WeakPolarHBondContact O-CB 3.41Å; Q63-A67 PolarHBondContact O-N 2.89Å; I64-A67 PolarHBondContact O-N 3.48Å; I65-A67 VanDerWaalsContact C-N 3.26Å; I65-A67 PolarHBondContact O-N 3.41Å; A67-F69 VanDerWaalsContact C-N 3.25Å; A67-F69 PolarHBondContact O-N 3.44Å; A67-N73 PolarHBondContact O-ND2 3.33Å; A67-F119 HydrophobicContact CB-CE1 4.27Å; A67-F119 HydrophobicContact CB-CE2 4.14Å; A67-F119 HydrophobicContact CB-CZ 3.63Å; A67-M123 HydrophobicContact CB-CB 4.39Å; A67-M123 HydrophobicContact CB-CG 4.32Å
68	F	89.4	Confident	82.9	Confident	19 Å²	19	48.6 Å²	48.6	8%	0.083	24%	0.239	C	C	.	.	H	α-helix	trans	-69.1	-24.1	173.9	-87.9	-91.3	0	0	0	113.3	L49 I64 I65 N66 I85 F90 V93 M94	L49-F68 HydrophobicContact CD1-CB 3.72Å; L49-F68 HydrophobicContact CD1-CD1 4.16Å; L49-F68 HydrophobicContact CD1-CD2 3.89Å; L49-F68 HydrophobicContact CD1-CG 3.65Å; I64-F68 HydrophobicContact CG2-CD2 4.49Å; I64-F68 HydrophobicContact CG2-CE2 4.27Å; I64-F68 WeakPolarHBondContact O-CD2 3.5Å; I64-F68 PolarHBondContact O-N 3Å; I65-F68 PolarHBondContact O-N 3.44Å; I65-F68 VanDerWaalsContact O-N 3.12Å; N66-F68 VanDerWaalsContact C-N 3.27Å; N66-F68 PolarHBondContact O-N 3.3Å; F68-I85 HydrophobicContact CB-CD1 4.19Å; F68-I85 HydrophobicContact CD1-CD1 4.02Å; F68-F90 AromaticContact CD1-CD2 3.98Å; F68-F90 HydrophobicContact CD1-CD2 3.98Å; F68-F90 HydrophobicContact CD1-CE2 4.32Å; F68-F90 AromaticContact CE1-CD2 3.58Å; F68-F90 HydrophobicContact CE1-CD2 3.58Å; F68-F90 AromaticContact CE1-CE2 3.57Å; F68-F90 HydrophobicContact CE1-CE2 3.57Å; F68-F90 HydrophobicContact CZ-CE2 4.26Å; F68-V93 HydrophobicContact CD1-CB 3.93Å; F68-V93 HydrophobicContact CD1-CG1 3.67Å; F68-V93 HydrophobicContact CD1-CG2 4.26Å; F68-V93 HydrophobicContact CD2-CG1 4.15Å; F68-V93 HydrophobicContact CE1-CB 3.96Å; F68-V93 HydrophobicContact CE1-CG1 3.6Å; F68-V93 HydrophobicContact CE2-CG1 4.1Å; F68-V93 HydrophobicContact CG-CG1 3.94Å; F68-V93 HydrophobicContact CZ-CG1 3.83Å; F68-M94 HydrophobicContact CE1-CG 4.44Å; F68-M94 HydrophobicContact CE1-SD 4.03Å; F68-M94 HydrophobicContact CZ-SD 3.71Å
69	F	90.7	Very high	82.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	6.6	-174.5	-66.6	-79.4	0	0	0	113	L44 R46 L49 I65 N66 A67 T81 V82 I85	L44-F69 WeakPolarHBondContact O-CE1 3.48Å; R46-F69 VanDerWaalsContact CA-CE2 3.5Å; R46-F69 HydrophobicContact CB-CD2 4.39Å; R46-F69 HydrophobicContact CB-CE2 4.04Å; R46-F69 HydrophobicContact CB-CZ 4.27Å; R46-F69 HydrophobicContact CG-CB 4.45Å; R46-F69 HydrophobicContact CG-CD1 3.92Å; R46-F69 HydrophobicContact CG-CD2 3.31Å; R46-F69 HydrophobicContact CG-CE1 3.99Å; R46-F69 HydrophobicContact CG-CE2 3.4Å; R46-F69 HydrophobicContact CG-CG 3.63Å; R46-F69 HydrophobicContact CG-CZ 3.78Å; R46-F69 VanDerWaalsContact NH2-CB 3.34Å; L49-F69 HydrophobicContact CD1-CE2 3.78Å; L49-F69 HydrophobicContact CD1-CZ 4.23Å; L49-F69 HydrophobicContact CG-CE2 4.42Å; I65-F69 HydrophobicContact CG2-CD2 4.25Å; I65-F69 HydrophobicContact CG2-CE2 4.13Å; I65-F69 WeakPolarHBondContact O-CD2 3.44Å; N66-F69 CarbonylContact O-C 3.51Å; N66-F69 PolarHBondContact O-N 3.12Å; A67-F69 VanDerWaalsContact C-N 3.25Å; A67-F69 PolarHBondContact O-N 3.44Å; F69-T81 CarbonylContact O-C 3.52Å; F69-T81 WeakPolarHBondContact O-CA 3.39Å; F69-T81 WeakPolarHBondContact O-CB 3.18Å; F69-V82 HydrophobicContact CB-CG2 4.31Å; F69-V82 WeakPolarHBondContact CB-O 3.32Å; F69-V82 HydrophobicContact CD1-CG2 4.21Å; F69-V82 WeakPolarHBondContact CD1-O 3.43Å; F69-V82 WeakPolarHBondContact O-CG2 2.89Å; F69-V82 PolarHBondContact O-N 3.08Å; F69-I85 HydrophobicContact CD1-CG2 3.81Å; F69-I85 HydrophobicContact CE1-CB 4.43Å; F69-I85 HydrophobicContact CE1-CD1 4.38Å; F69-I85 HydrophobicContact CE1-CG1 3.95Å; F69-I85 HydrophobicContact CE1-CG2 4.01Å; F69-I85 HydrophobicContact CZ-CD1 4.47Å; F69-I85 HydrophobicContact CZ-CG1 4.36Å
70	D	87.6	Confident	82	Confident	9 Å²	9	49.2 Å²	49.2	5%	0.048	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-84.1	121.9	175.2	-174.5	-21.1	0	0	0	109.6	N66 R72 N73 L74	N66-D70 PolarHBondContact O-N 3.33Å; N66-D70 VanDerWaalsContact O-N 3.08Å; D70-R72 PolarHBondContact O-N 2.91Å; D70-R72 VanDerWaalsContact OD1-CB 3.29Å; D70-R72 WeakPolarHBondContact OD1-CB 3.47Å; D70-R72 WeakPolarHBondContact OD1-CG 3.31Å; D70-R72 PolarHBondContact OD1-N 3.22Å; D70-R72 IonicContact OD1-NE 2.93Å; D70-R72 PolarHBondContact OD1-NE 3.09Å; D70-R72 IonicContact OD2-CZ 2.66Å; D70-R72 VanDerWaalsContact OD2-CZ 3.27Å; D70-R72 IonicContact OD2-NE 3.21Å; D70-R72 PolarHBondContact OD2-NE 3.42Å; D70-R72 IonicContact OD2-NH2 3.84Å; D70-R72 PolarHBondContact OD2-NH2 3.03Å; D70-N73 PolarHBondContact O-N 2.83Å; D70-L74 PolarHBondContact O-N 3.1Å
71	K	85.3	Confident	82	Confident	49 Å²	49	51 Å²	51	21%	0.213	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-56.2	-33.3	-179.9	-74.4	-176.5	168.9	-167	0	112.7	N73 L74 Q76 E78 G80 V82	K71-N73 PolarHBondContact O-N 2.99Å; K71-L74 WeakPolarHBondContact O-CA 3.2Å; K71-L74 WeakPolarHBondContact O-CB 3.35Å; K71-L74 PolarHBondContact O-N 3.47Å; K71-Q76 CarbonylContact C-O 3.48Å; K71-Q76 HydrophobicContact CB-CB 4.42Å; K71-Q76 PolarHBondContact O-N 3.3Å; K71-E78 VanDerWaalsContact CB-O 3.23Å; K71-E78 WeakPolarHBondContact CB-O 3.47Å; K71-E78 HydrophobicContact CD-CB 4.03Å; K71-E78 IonicContact NZ-OE2 2.95Å; K71-E78 PolarHBondContact NZ-OE2 3.07Å; K71-G80 WeakPolarHBondContact CB-O 3.31Å; K71-G80 WeakPolarHBondContact CG-O 3.45Å; K71-G80 PolarHBondContact N-O 3.47Å; K71-V82 HydrophobicContact CG-CG1 3.88Å
72	R	83.1	Confident	81.9	Confident	43 Å²	43	48.5 Å²	48.5	16%	0.162	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-60.8	-32.2	178.4	-59.7	178	-67.5	176.4	-2.2	112.1	D70 N122 D125 S128	D70-R72 PolarHBondContact O-N 2.91Å; D70-R72 VanDerWaalsContact OD1-CB 3.29Å; D70-R72 WeakPolarHBondContact OD1-CB 3.47Å; D70-R72 WeakPolarHBondContact OD1-CG 3.31Å; D70-R72 PolarHBondContact OD1-N 3.22Å; D70-R72 IonicContact OD1-NE 2.93Å; D70-R72 PolarHBondContact OD1-NE 3.09Å; D70-R72 IonicContact OD2-CZ 2.66Å; D70-R72 VanDerWaalsContact OD2-CZ 3.27Å; D70-R72 IonicContact OD2-NE 3.21Å; D70-R72 PolarHBondContact OD2-NE 3.42Å; D70-R72 IonicContact OD2-NH2 3.84Å; D70-R72 PolarHBondContact OD2-NH2 3.03Å; R72-N122 PolarHBondContact NH2-O 3.45Å; R72-N122 VanDerWaalsContact NH2-O 3.17Å; R72-D125 IonicContact CZ-OD2 3.08Å; R72-D125 IonicContact NH1-OD1 3.42Å; R72-D125 IonicContact NH1-OD2 2.7Å; R72-D125 PolarHBondContact NH1-OD2 2.91Å; R72-D125 PolarHBondContact NH2-O 3.29Å; R72-S128 VanDerWaalsContact CZ-OG 3.23Å; R72-S128 PolarHBondContact NH2-OG 3.12Å
73	N	81.9	Confident	81.9	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.016	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-83.9	-15.4	177.6	-62.5	-23.8	0	0	0	112.5	A67 D70 K71 R75 V93 F119 N122	A67-N73 PolarHBondContact O-ND2 3.33Å; D70-N73 PolarHBondContact O-N 2.83Å; K71-N73 PolarHBondContact O-N 2.99Å; N73-R75 PolarHBondContact O-N 3.25Å; N73-V93 HydrophobicContact CB-CG2 4.47Å; N73-F119 HydrophobicContact CB-CD2 4.22Å; N73-F119 HydrophobicContact CB-CE2 4.14Å; N73-N122 PolarHBondContact OD1-ND2 3.3Å
74	L	79.7	Confident	82	Confident	11 Å²	11	55.6 Å²	55.6	6%	0.058	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-86.5	8.5	176.6	-56	-177.2	0	0	0	113	D70 K71 Q76 V82 I85 E89 V93	D70-L74 PolarHBondContact O-N 3.1Å; K71-L74 WeakPolarHBondContact O-CA 3.2Å; K71-L74 WeakPolarHBondContact O-CB 3.35Å; K71-L74 PolarHBondContact O-N 3.47Å; L74-Q76 HydrophobicContact CB-CG 4.22Å; L74-Q76 PolarHBondContact O-N 3.44Å; L74-Q76 VanDerWaalsContact O-N 3.14Å; L74-V82 HydrophobicContact CD1-CG2 3.78Å; L74-I85 HydrophobicContact CD1-CG2 4.23Å; L74-E89 HydrophobicContact CD1-CB 4.32Å; L74-E89 HydrophobicContact CD1-CG 3.92Å; L74-E89 HydrophobicContact CD2-CB 3.64Å; L74-E89 HydrophobicContact CD2-CG 4.02Å; L74-E89 HydrophobicContact CG-CG 4.4Å; L74-V93 HydrophobicContact CD2-CG2 3.74Å
75	R	71.6	Confident	82.2	Confident	130 Å²	130	53.4 Å²	53.4	49%	0.491	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	18.8	-171.2	-55.1	-165.9	-177.3	165.1	-0.4	113.9	N73 M92	N73-R75 PolarHBondContact O-N 3.25Å; R75-M92 HydrophobicContact CB-CE 4.4Å; R75-M92 HydrophobicContact CG-CE 3.66Å; R75-M92 VanDerWaalsContact CZ-CE 3.4Å
76	Q	66.9	Low	82.3	Confident	74 Å²	74	53.6 Å²	53.6	35%	0.346	29%	0.287	S	S	.	.			trans	-89.1	106	165.8	-60.2	174.5	10	0	0	103.9	K71 L74 E78	K71-Q76 CarbonylContact C-O 3.48Å; K71-Q76 HydrophobicContact CB-CB 4.42Å; K71-Q76 PolarHBondContact O-N 3.3Å; L74-Q76 HydrophobicContact CB-CG 4.22Å; L74-Q76 PolarHBondContact O-N 3.44Å; L74-Q76 VanDerWaalsContact O-N 3.14Å; Q76-E78 PolarHBondContact O-N 2.96Å
77	N	64.1	Low	82.3	Confident	167 Å²	167	52 Å²	52	89%	0.893	28%	0.277	S	S	*	.			trans	-67.7	35.8	-176.3	-76.5	-24.8	0	0	0	113.2
78	E	71.1	Confident	82.3	Confident	112 Å²	112	55.5 Å²	55.5	52%	0.523	29%	0.293	S	S	.	.			trans	-111.1	140.9	178.6	-64.3	-173.2	169.2	0	0	109.3	K71 Q76	K71-E78 VanDerWaalsContact CB-O 3.23Å; K71-E78 WeakPolarHBondContact CB-O 3.47Å; K71-E78 HydrophobicContact CD-CB 4.03Å; K71-E78 IonicContact NZ-OE2 2.95Å; K71-E78 PolarHBondContact NZ-OE2 3.07Å; Q76-E78 PolarHBondContact O-N 2.96Å
79	A	70.1	Confident	82.4	Confident	70 Å²	70	57 Å²	57	58%	0.579	30%	0.301	S	S	*	.			trans	-73.6	150.7	169.5	0	0	0	0	0	110.8
80	G	79.7	Confident	82.4	Confident	28 Å²	28	57.4 Å²	57.4	29%	0.289	30%	0.302	S	S	.	.	S	Bend	trans	115.7	-177.7	173.9	0	0	0	0	0	114.1	K71	K71-G80 WeakPolarHBondContact CB-O 3.31Å; K71-G80 WeakPolarHBondContact CG-O 3.45Å; K71-G80 PolarHBondContact N-O 3.47Å
81	T	83.4	Confident	82.5	Confident	83 Å²	83	57 Å²	57	51%	0.509	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-122	148.3	-173.5	61.6	0	0	0	0	112.6	R46 F69	R46-T81 VanDerWaalsContact NH2-CB 3.26Å; F69-T81 CarbonylContact O-C 3.52Å; F69-T81 WeakPolarHBondContact O-CA 3.39Å; F69-T81 WeakPolarHBondContact O-CB 3.18Å
82	V	86.6	Confident	82.6	Confident	30 Å²	30	54.8 Å²	54.8	18%	0.182	29%	0.291	C	S	.	.			trans	-98.4	154.2	170.3	-65.5	0	0	0	0	110.3	R46 F69 K71 L74 I85	R46-V82 PolarHBondContact NE-O 3.28Å; F69-V82 HydrophobicContact CB-CG2 4.31Å; F69-V82 WeakPolarHBondContact CB-O 3.32Å; F69-V82 HydrophobicContact CD1-CG2 4.21Å; F69-V82 WeakPolarHBondContact CD1-O 3.43Å; F69-V82 WeakPolarHBondContact O-CG2 2.89Å; F69-V82 PolarHBondContact O-N 3.08Å; K71-V82 HydrophobicContact CG-CG1 3.88Å; L74-V82 HydrophobicContact CD1-CG2 3.78Å; V82-I85 HydrophobicContact CG2-CG2 3.6Å
83	Q	86.1	Confident	82.9	Confident	136 Å²	136	52.8 Å²	52.8	64%	0.636	28%	0.283	S	S	*	.	S	Bend	trans	-89	-29.6	179	-65	-63.9	-3.3	0	0	112.6
84	V	90.4	Very high	83.2	Confident	76 Å²	76	53.7 Å²	53.7	46%	0.461	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.4	-179.4	-63.8	0	0	0	0	109.4	L44	L44-V84 VanDerWaalsContact O-CA 3.3Å; L44-V84 WeakPolarHBondContact O-CA 3.37Å
85	I	91.9	Very high	83.6	Confident	4 Å²	4	54 Å²	54	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.9	175.6	59.9	174.8	0	0	0	110.2	T43 L44 F68 F69 L74 V82 E89 F90	T43-I85 CarbonylContact C-O 3.56Å; T43-I85 WeakPolarHBondContact CA-O 3.05Å; L44-I85 HydrophobicContact CB-CG1 3.98Å; L44-I85 HydrophobicContact CD2-CD1 4.24Å; L44-I85 HydrophobicContact CD2-CG1 4.37Å; L44-I85 PolarHBondContact N-O 2.98Å; L44-I85 PolarHBondContact O-N 3.28Å; F68-I85 HydrophobicContact CB-CD1 4.19Å; F68-I85 HydrophobicContact CD1-CD1 4.02Å; F69-I85 HydrophobicContact CD1-CG2 3.81Å; F69-I85 HydrophobicContact CE1-CB 4.43Å; F69-I85 HydrophobicContact CE1-CD1 4.38Å; F69-I85 HydrophobicContact CE1-CG1 3.95Å; F69-I85 HydrophobicContact CE1-CG2 4.01Å; F69-I85 HydrophobicContact CZ-CD1 4.47Å; F69-I85 HydrophobicContact CZ-CG1 4.36Å; L74-I85 HydrophobicContact CD1-CG2 4.23Å; V82-I85 HydrophobicContact CG2-CG2 3.6Å; I85-E89 HydrophobicContact CB-CB 3.79Å; I85-E89 HydrophobicContact CB-CG 4.46Å; I85-E89 HydrophobicContact CG2-CB 4.11Å; I85-F90 HydrophobicContact CD1-CB 4.36Å
86	G	90.9	Very high	84.4	Confident	16 Å²	16	49 Å²	49	17%	0.165	27%	0.272	C	S	.	.			trans	-86.1	-174.8	171.2	0	0	0	0	0	112.1	F34 E88 E89 F90	F34-G86 WeakPolarHBondContact CE2-O 3.13Å; G86-E88 VanDerWaalsContact C-N 3.35Å; G86-E89 WeakPolarHBondContact CA-OE2 3.31Å; G86-E89 PolarHBondContact N-OE2 3.38Å; G86-F90 WeakPolarHBondContact O-CB 3.44Å; G86-F90 PolarHBondContact O-N 2.93Å; G86-F90 VanDerWaalsContact O-N 3.09Å
87	F	89.6	Confident	85.3	Confident	29 Å²	29	47.5 Å²	47.5	13%	0.127	27%	0.265	C	S	.	.	H	α-helix	trans	-67.7	-35.8	177.9	-179.9	-118.2	0	0	0	112.5	F13 L16 I27 L30 N31 F34 F90 L91	F13-F87 HydrophobicContact CD1-CE1 4.21Å; F13-F87 HydrophobicContact CE1-CD1 4.27Å; F13-F87 AromaticContact CE1-CE1 3.73Å; F13-F87 HydrophobicContact CE1-CE1 3.73Å; L16-F87 HydrophobicContact CD1-CD1 4.22Å; L16-F87 HydrophobicContact CD1-CE1 4.19Å; I27-F87 HydrophobicContact CG2-CE1 3.9Å; I27-F87 HydrophobicContact CG2-CZ 3.93Å; L30-F87 HydrophobicContact CB-CE2 4.35Å; N31-F87 HydrophobicContact CB-CD2 4.44Å; N31-F87 HydrophobicContact CB-CE1 4.12Å; N31-F87 HydrophobicContact CB-CE2 3.72Å; N31-F87 HydrophobicContact CB-CZ 3.51Å; F34-F87 HydrophobicContact CB-CD2 3.8Å; F34-F87 HydrophobicContact CB-CE2 4.18Å; F34-F87 HydrophobicContact CD1-CB 4.26Å; F34-F87 HydrophobicContact CD1-CD2 4.15Å; F34-F87 HydrophobicContact CD2-CD2 4.18Å; F34-F87 HydrophobicContact CE1-CB 4.19Å; F34-F87 AromaticContact CG-CD2 3.78Å; F34-F87 HydrophobicContact CG-CD2 3.78Å; F34-F87 HydrophobicContact CZ-CB 4.35Å; F87-F90 HydrophobicContact CD2-CD1 4.44Å; F87-F90 HydrophobicContact CE2-CD1 4.44Å; F87-F90 PolarHBondContact O-N 3.16Å; F87-L91 HydrophobicContact CD1-CD1 4.11Å; F87-L91 HydrophobicContact CD1-CG 4.48Å; F87-L91 HydrophobicContact CD2-CG 4.39Å; F87-L91 HydrophobicContact CE1-CD1 3.46Å; F87-L91 VanDerWaalsContact CE1-CD1 3.46Å; F87-L91 HydrophobicContact CE1-CG 3.98Å; F87-L91 HydrophobicContact CE2-CD1 4.25Å; F87-L91 HydrophobicContact CE2-CD2 3.95Å; F87-L91 HydrophobicContact CE2-CG 3.85Å; F87-L91 HydrophobicContact CZ-CD1 3.54Å; F87-L91 HydrophobicContact CZ-CD2 3.76Å; F87-L91 HydrophobicContact CZ-CG 3.64Å; F87-L91 WeakPolarHBondContact O-CG 3.49Å; F87-L91 PolarHBondContact O-N 3.39Å
88	E	89.3	Confident	86.3	Confident	76 Å²	76	43.8 Å²	43.8	36%	0.355	24%	0.238	S	C	.	.	H	α-helix	trans	-61.3	-54.3	176.4	176.2	174.4	161.1	0	0	110.6	L16 R19 G86 F90 L91 M92	L16-E88 HydrophobicContact CD2-CB 4.03Å; L16-E88 HydrophobicContact CD2-CG 3.72Å; R19-E88 IonicContact CZ-OE1 2.72Å; R19-E88 IonicContact NH1-OE1 3.08Å; R19-E88 PolarHBondContact NH1-OE1 2.9Å; R19-E88 IonicContact NH1-OE2 2.8Å; R19-E88 IonicContact NH2-OE1 3.89Å; R19-E88 PolarHBondContact NH2-OE1 3.15Å; G86-E88 VanDerWaalsContact C-N 3.35Å; E88-F90 VanDerWaalsContact C-N 3.26Å; E88-F90 PolarHBondContact O-N 3.05Å; E88-L91 WeakPolarHBondContact O-CB 3.31Å; E88-L91 PolarHBondContact O-N 3.46Å; E88-M92 HydrophobicContact CG-CG 4.49Å; E88-M92 VanDerWaalsContact O-CG 3.31Å; E88-M92 WeakPolarHBondContact O-CG 3.49Å; E88-M92 PolarHBondContact O-N 2.88Å
89	E	90.1	Very high	86.7	Confident	52 Å²	52	41.7 Å²	41.7	24%	0.243	24%	0.235	C	C	.	.	H	α-helix	trans	-56.3	-42.3	177.5	-71.4	80.1	-165.8	0	0	111.8	L74 I85 G86 L91 M92 V93	L74-E89 HydrophobicContact CD1-CB 4.32Å; L74-E89 HydrophobicContact CD1-CG 3.92Å; L74-E89 HydrophobicContact CD2-CB 3.64Å; L74-E89 HydrophobicContact CD2-CG 4.02Å; L74-E89 HydrophobicContact CG-CG 4.4Å; I85-E89 HydrophobicContact CB-CB 3.79Å; I85-E89 HydrophobicContact CB-CG 4.46Å; I85-E89 HydrophobicContact CG2-CB 4.11Å; G86-E89 WeakPolarHBondContact CA-OE2 3.31Å; G86-E89 PolarHBondContact N-OE2 3.38Å; E89-L91 PolarHBondContact O-N 3.04Å; E89-M92 WeakPolarHBondContact O-CB 3.42Å; E89-M92 PolarHBondContact O-N 3.43Å; E89-V93 WeakPolarHBondContact O-CG2 3.17Å; E89-V93 PolarHBondContact O-N 3.46Å; E89-V93 VanDerWaalsContact O-N 3.1Å
90	F	90.4	Very high	86.9	Confident	8 Å²	8	40 Å²	40	4%	0.035	22%	0.221	C	C	.	.	H	α-helix	trans	-58.1	-47.8	174.8	179	-95.5	0	0	0	111.5	L30 F34 L44 F68 I85 G86 F87 E88 M92 V93 M94	L30-F90 HydrophobicContact CB-CE1 4.47Å; L30-F90 HydrophobicContact CD2-CE1 4.23Å; F34-F90 HydrophobicContact CB-CD1 4.39Å; F34-F90 HydrophobicContact CB-CE1 4.49Å; F34-F90 HydrophobicContact CD2-CB 3.76Å; F34-F90 HydrophobicContact CD2-CD1 4.06Å; F34-F90 HydrophobicContact CD2-CD2 4.06Å; F34-F90 AromaticContact CD2-CG 3.69Å; F34-F90 HydrophobicContact CD2-CG 3.69Å; F34-F90 HydrophobicContact CE2-CB 3.93Å; F34-F90 HydrophobicContact CE2-CG 4.31Å; L44-F90 HydrophobicContact CD2-CD2 4.15Å; L44-F90 HydrophobicContact CD2-CE2 4.49Å; F68-F90 AromaticContact CD1-CD2 3.98Å; F68-F90 HydrophobicContact CD1-CD2 3.98Å; F68-F90 HydrophobicContact CD1-CE2 4.32Å; F68-F90 AromaticContact CE1-CD2 3.58Å; F68-F90 HydrophobicContact CE1-CD2 3.58Å; F68-F90 AromaticContact CE1-CE2 3.57Å; F68-F90 HydrophobicContact CE1-CE2 3.57Å; F68-F90 HydrophobicContact CZ-CE2 4.26Å; I85-F90 HydrophobicContact CD1-CB 4.36Å; G86-F90 WeakPolarHBondContact O-CB 3.44Å; G86-F90 PolarHBondContact O-N 2.93Å; G86-F90 VanDerWaalsContact O-N 3.09Å; F87-F90 HydrophobicContact CD2-CD1 4.44Å; F87-F90 HydrophobicContact CE2-CD1 4.44Å; F87-F90 PolarHBondContact O-N 3.16Å; E88-F90 VanDerWaalsContact C-N 3.26Å; E88-F90 PolarHBondContact O-N 3.05Å; F90-M92 VanDerWaalsContact C-N 3.32Å; F90-M92 PolarHBondContact O-N 3.44Å; F90-V93 PolarHBondContact O-N 3.05Å; F90-M94 HydrophobicContact CD1-CG 4.04Å; F90-M94 HydrophobicContact CE1-CG 3.69Å; F90-M94 HydrophobicContact CE1-SD 4.46Å; F90-M94 HydrophobicContact CE2-CG 4.37Å; F90-M94 HydrophobicContact CE2-SD 4.45Å; F90-M94 HydrophobicContact CZ-CG 3.87Å; F90-M94 HydrophobicContact CZ-SD 4.06Å; F90-M94 WeakPolarHBondContact O-CG 3.48Å; F90-M94 PolarHBondContact O-N 3.31Å
91	L	89.6	Confident	86.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-37.1	176.8	-73.2	-178.8	0	0	0	112.8	L16 T20 F22 I27 L30 F87 E88 E89 V93 M94 S95	L16-L91 HydrophobicContact CB-CD1 4.1Å; L16-L91 HydrophobicContact CD1-CD1 3.99Å; L16-L91 HydrophobicContact CD2-CD1 4.29Å; L16-L91 HydrophobicContact CG-CD1 4.36Å; T20-L91 HydrophobicContact CG2-CB 4.06Å; F22-L91 HydrophobicContact CD2-CD2 4.32Å; F22-L91 HydrophobicContact CE2-CD2 4.48Å; I27-L91 HydrophobicContact CG1-CD1 4.32Å; I27-L91 HydrophobicContact CG2-CD1 4.25Å; L30-L91 HydrophobicContact CB-CD2 3.78Å; L30-L91 HydrophobicContact CD1-CD2 3.47Å; L30-L91 VanDerWaalsContact CD1-CD2 3.47Å; L30-L91 HydrophobicContact CG-CD2 4.24Å; F87-L91 HydrophobicContact CD1-CD1 4.11Å; F87-L91 HydrophobicContact CD1-CG 4.48Å; F87-L91 HydrophobicContact CD2-CG 4.39Å; F87-L91 HydrophobicContact CE1-CD1 3.46Å; F87-L91 VanDerWaalsContact CE1-CD1 3.46Å; F87-L91 HydrophobicContact CE1-CG 3.98Å; F87-L91 HydrophobicContact CE2-CD1 4.25Å; F87-L91 HydrophobicContact CE2-CD2 3.95Å; F87-L91 HydrophobicContact CE2-CG 3.85Å; F87-L91 HydrophobicContact CZ-CD1 3.54Å; F87-L91 HydrophobicContact CZ-CD2 3.76Å; F87-L91 HydrophobicContact CZ-CG 3.64Å; F87-L91 WeakPolarHBondContact O-CG 3.49Å; F87-L91 PolarHBondContact O-N 3.39Å; E88-L91 WeakPolarHBondContact O-CB 3.31Å; E88-L91 PolarHBondContact O-N 3.46Å; E89-L91 PolarHBondContact O-N 3.04Å; L91-V93 VanDerWaalsContact C-N 3.33Å; L91-V93 PolarHBondContact O-N 3.44Å; L91-M94 PolarHBondContact O-N 3.23Å; L91-S95 PolarHBondContact O-N 2.99Å
92	M	88.6	Confident	85.7	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-58.5	-47.2	176.5	-64.4	-53.1	-63.7	0	0	110.8	T20 R75 E88 E89 F90 S95	T20-M92 HydrophobicContact CG2-SD 3.88Å; R75-M92 HydrophobicContact CB-CE 4.4Å; R75-M92 HydrophobicContact CG-CE 3.66Å; R75-M92 VanDerWaalsContact CZ-CE 3.4Å; E88-M92 HydrophobicContact CG-CG 4.49Å; E88-M92 VanDerWaalsContact O-CG 3.31Å; E88-M92 WeakPolarHBondContact O-CG 3.49Å; E88-M92 PolarHBondContact O-N 2.88Å; E89-M92 WeakPolarHBondContact O-CB 3.42Å; E89-M92 PolarHBondContact O-N 3.43Å; F90-M92 VanDerWaalsContact C-N 3.32Å; F90-M92 PolarHBondContact O-N 3.44Å; M92-S95 WeakPolarHBondContact O-CB 3.26Å; M92-S95 PolarHBondContact O-N 2.82Å; M92-S95 PolarHBondContact O-OG 2.94Å
93	V	89.4	Confident	84.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-44.6	176.4	175.8	0	0	0	0	110.9	F68 N73 L74 E89 F90 L91 S95 H96 F119	F68-V93 HydrophobicContact CD1-CB 3.93Å; F68-V93 HydrophobicContact CD1-CG1 3.67Å; F68-V93 HydrophobicContact CD1-CG2 4.26Å; F68-V93 HydrophobicContact CD2-CG1 4.15Å; F68-V93 HydrophobicContact CE1-CB 3.96Å; F68-V93 HydrophobicContact CE1-CG1 3.6Å; F68-V93 HydrophobicContact CE2-CG1 4.1Å; F68-V93 HydrophobicContact CG-CG1 3.94Å; F68-V93 HydrophobicContact CZ-CG1 3.83Å; N73-V93 HydrophobicContact CB-CG2 4.47Å; L74-V93 HydrophobicContact CD2-CG2 3.74Å; E89-V93 WeakPolarHBondContact O-CG2 3.17Å; E89-V93 PolarHBondContact O-N 3.46Å; E89-V93 VanDerWaalsContact O-N 3.1Å; F90-V93 PolarHBondContact O-N 3.05Å; L91-V93 VanDerWaalsContact C-N 3.33Å; L91-V93 PolarHBondContact O-N 3.44Å; V93-S95 PolarHBondContact O-N 2.97Å; V93-H96 PolarHBondContact O-CD2 2.95Å; V93-H96 PolarHBondContact O-N 3.27Å; V93-F119 HydrophobicContact CG1-CE2 3.92Å; V93-F119 HydrophobicContact CG1-CZ 4.14Å
94	M	88.6	Confident	84.6	Confident	23 Å²	23	49.3 Å²	49.3	11%	0.113	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-27	179.2	-67.4	-57.7	-68.5	0	0	112.8	F22 L30 F68 F90 L91 H96 F97 F206	F22-M94 HydrophobicContact CE2-CB 4.13Å; F22-M94 HydrophobicContact CZ-CB 4.05Å; L30-M94 HydrophobicContact CD2-CE 3.93Å; L30-M94 HydrophobicContact CD2-CG 4.43Å; F68-M94 HydrophobicContact CE1-CG 4.44Å; F68-M94 HydrophobicContact CE1-SD 4.03Å; F68-M94 HydrophobicContact CZ-SD 3.71Å; F90-M94 HydrophobicContact CD1-CG 4.04Å; F90-M94 HydrophobicContact CE1-CG 3.69Å; F90-M94 HydrophobicContact CE1-SD 4.46Å; F90-M94 HydrophobicContact CE2-CG 4.37Å; F90-M94 HydrophobicContact CE2-SD 4.45Å; F90-M94 HydrophobicContact CZ-CG 3.87Å; F90-M94 HydrophobicContact CZ-SD 4.06Å; F90-M94 WeakPolarHBondContact O-CG 3.48Å; F90-M94 PolarHBondContact O-N 3.31Å; L91-M94 PolarHBondContact O-N 3.23Å; M94-H96 PolarHBondContact O-N 3.45Å; M94-F97 PolarHBondContact O-N 3.37Å; M94-F206 HydrophobicContact CE-CE1 3.45Å; M94-F206 VanDerWaalsContact CE-CE1 3.45Å; M94-F206 HydrophobicContact CE-CZ 3.71Å
95	S	88.1	Confident	84.4	Confident	17 Å²	17	49 Å²	49	12%	0.119	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-29.7	179.6	79.7	0	0	0	0	113.2	L91 M92 V93 F97 R98	L91-S95 PolarHBondContact O-N 2.99Å; M92-S95 WeakPolarHBondContact O-CB 3.26Å; M92-S95 PolarHBondContact O-N 2.82Å; M92-S95 PolarHBondContact O-OG 2.94Å; V93-S95 PolarHBondContact O-N 2.97Å; S95-F97 PolarHBondContact O-N 2.81Å; S95-R98 WeakPolarHBondContact O-CB 3.4Å; S95-R98 WeakPolarHBondContact O-CG 3.28Å; S95-R98 PolarHBondContact O-N 3.4Å; S95-R98 VanDerWaalsContact O-N 3.17Å
96	H	86.6	Confident	83.9	Confident	24 Å²	24	54.4 Å²	54.4	11%	0.111	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.9	175.8	-68.3	-78.1	0	0	0	113	V93 M94 K116 F119 M202	V93-H96 PolarHBondContact O-CD2 2.95Å; V93-H96 PolarHBondContact O-N 3.27Å; M94-H96 PolarHBondContact O-N 3.45Å; H96-K116 VanDerWaalsContact O-CE 3.24Å; H96-K116 WeakPolarHBondContact O-CE 3.28Å; H96-F119 HydrophobicContact CB-CD2 4.24Å; H96-F119 HydrophobicContact CB-CG 4.27Å; H96-F119 AromaticContact CD2-CD2 3.7Å; H96-F119 AromaticContact CG-CD2 3.85Å; H96-M202 HydrophobicContact CB-CE 4.39Å
97	F	86.4	Confident	83.6	Confident	44 Å²	44	60.2 Å²	60.2	19%	0.193	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	13.1	179.9	-59.9	-83.6	0	0	0	113.1	M94 S95 F119 M202 H203 V204	M94-F97 PolarHBondContact O-N 3.37Å; S95-F97 PolarHBondContact O-N 2.81Å; F97-F119 HydrophobicContact CE1-CE1 4.47Å; F97-F119 AromaticContact CE2-CE1 3.99Å; F97-F119 HydrophobicContact CE2-CE1 3.99Å; F97-F119 AromaticContact CE2-CZ 3.88Å; F97-F119 HydrophobicContact CE2-CZ 3.88Å; F97-F119 HydrophobicContact CZ-CD1 4.32Å; F97-F119 AromaticContact CZ-CE1 3.52Å; F97-F119 HydrophobicContact CZ-CE1 3.52Å; F97-F119 AromaticContact CZ-CZ 3.86Å; F97-F119 HydrophobicContact CZ-CZ 3.86Å; F97-M202 HydrophobicContact CD1-CE 3.91Å; F97-M202 HydrophobicContact CD1-CG 3.92Å; F97-M202 HydrophobicContact CE1-CE 3.44Å; F97-M202 VanDerWaalsContact CE1-CE 3.44Å; F97-M202 HydrophobicContact CE1-CG 4.03Å; F97-M202 HydrophobicContact CE2-CE 4.44Å; F97-M202 HydrophobicContact CZ-CE 3.76Å; F97-H203 CarbonylContact O-C 3.58Å; F97-H203 WeakPolarHBondContact O-CA 3.18Å; F97-V204 HydrophobicContact CB-CB 4.28Å; F97-V204 HydrophobicContact CB-CG2 3.92Å; F97-V204 HydrophobicContact CD1-CG2 4.37Å; F97-V204 HydrophobicContact CG-CG2 4.3Å; F97-V204 PolarHBondContact O-N 2.72Å
98	R	84.8	Confident	83.4	Confident	88 Å²	88	63.6 Å²	63.6	33%	0.332	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-68.2	141.6	175.3	-74.5	-179.5	60.4	-136.9	-9.4	110.9	T20 G21 F22 S95 K116	T20-R98 WeakPolarHBondContact O-CD 3.5Å; T20-R98 PolarHBondContact O-NH1 3.27Å; G21-R98 PolarHBondContact O-NE 2.91Å; G21-R98 PolarHBondContact O-NH1 3.29Å; G21-R98 PolarHBondContact O-NH2 3.29Å; F22-R98 HydrophobicContact CD1-CG 4.12Å; F22-R98 HydrophobicContact CE1-CG 3.41Å; F22-R98 VanDerWaalsContact CE1-CG 3.41Å; F22-R98 HydrophobicContact CE2-CG 4.33Å; F22-R98 HydrophobicContact CZ-CG 3.52Å; S95-R98 WeakPolarHBondContact O-CB 3.4Å; S95-R98 WeakPolarHBondContact O-CG 3.28Å; S95-R98 PolarHBondContact O-N 3.4Å; S95-R98 VanDerWaalsContact O-N 3.17Å; R98-K116 PolarHBondContact O-NZ 2.62Å
99	P	80.3	Confident	83.1	Confident	68 Å²	68	63.9 Å²	63.9	44%	0.442	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-62.7	141.7	169.5	27.7	-32.7	0	0	0	109.2	H203	P99-H203 HydrophobicContact CB-CB 4.22Å
100	A	74.6	Confident	82.9	Confident	35 Å²	35	67.8 Å²	67.8	29%	0.289	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-60.4	138.2	169.1	0	0	0	0	0	109.1	I104	A100-I104 HydrophobicContact CB-CD1 4.18Å
101	A	72.6	Confident	82.7	Confident	63 Å²	63	73.7 Å²	73.7	52%	0.521	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-67.1	149.3	174.5	0	0	0	0	0	110	H103 I104	A101-H103 PolarHBondContact O-N 2.93Å; A101-I104 HydrophobicContact CB-CG2 3.75Å
102	M	65.9	Low	82.5	Confident	181 Å²	181	76.4 Å²	76.4	89%	0.892	38%	0.381	S	S	*	.	S	Bend	trans	-64.1	-22.1	-176.2	-81.4	-176.5	168.1	0	0	113.8
103	H	69.1	Low	82.5	Confident	183 Å²	183	78 Å²	78	85%	0.847	39%	0.387	S	S	*	.	S	Bend	trans	-130.4	76.1	-176.9	-56.7	-57.3	0	0	0	109.8	A101	A101-H103 PolarHBondContact O-N 2.93Å
104	I	78.7	Confident	82.5	Confident	46 Å²	46	84 Å²	84	24%	0.236	41%	0.409	C	S	.	.			trans	-111.2	151.5	172.3	59.7	176.6	0	0	0	109.4	A100 A101 E108 R109 L112	A100-I104 HydrophobicContact CB-CD1 4.18Å; A101-I104 HydrophobicContact CB-CG2 3.75Å; I104-E108 WeakPolarHBondContact CA-OE2 3.44Å; I104-E108 HydrophobicContact CB-CB 4.11Å; I104-R109 HydrophobicContact CD1-CB 3.7Å; I104-R109 HydrophobicContact CD1-CG 4.02Å; I104-R109 HydrophobicContact CG1-CB 4.24Å; I104-L112 HydrophobicContact CD1-CD1 3.86Å
105	T	85.9	Confident	82.5	Confident	68 Å²	68	86.2 Å²	86.2	42%	0.417	42%	0.419	S	S	.	.			trans	-71.8	163.6	172.2	79.3	0	0	0	0	110.6	E107 E108 R109	T105-E107 VanDerWaalsContact C-N 3.25Å; T105-E107 WeakPolarHBondContact CB-OE2 3.36Å; T105-E107 PolarHBondContact O-N 3.44Å; T105-E107 PolarHBondContact OG1-N 3.12Å; T105-E107 PolarHBondContact OG1-OE2 3.49Å; T105-E108 PolarHBondContact N-OE2 3.18Å; T105-E108 PolarHBondContact O-N 2.95Å; T105-E108 PolarHBondContact OG1-N 3.23Å; T105-R109 WeakPolarHBondContact O-CB 3.37Å; T105-R109 PolarHBondContact O-N 3.43Å
106	E	83.3	Confident	82.6	Confident	118 Å²	118	85.7 Å²	85.7	55%	0.551	42%	0.415	S	S	*	.	H	α-helix	trans	-62.3	-35.4	175.5	-71.2	-58.8	138.4	0	0	111.3	E108 R109 E110	E106-E108 PolarHBondContact O-N 3.01Å; E106-R109 WeakPolarHBondContact O-CB 3.38Å; E106-R109 PolarHBondContact O-N 2.91Å; E106-E110 WeakPolarHBondContact O-CG 3.34Å; E106-E110 PolarHBondContact O-N 3.43Å
107	E	84.8	Confident	82.8	Confident	138 Å²	138	84.6 Å²	84.6	65%	0.645	41%	0.41	S	S	*	.	H	α-helix	trans	-65.3	-41.6	176.2	-55.7	82.9	-174.8	0	0	112.1	T105 R109 E110 K111	T105-E107 VanDerWaalsContact C-N 3.25Å; T105-E107 WeakPolarHBondContact CB-OE2 3.36Å; T105-E107 PolarHBondContact O-N 3.44Å; T105-E107 PolarHBondContact OG1-N 3.12Å; T105-E107 PolarHBondContact OG1-OE2 3.49Å; E107-R109 VanDerWaalsContact C-N 3.32Å; E107-E110 PolarHBondContact O-N 2.7Å; E107-K111 WeakPolarHBondContact O-CB 3.2Å; E107-K111 PolarHBondContact O-N 2.66Å
108	E	83.5	Confident	82.9	Confident	100 Å²	100	88.8 Å²	88.8	47%	0.467	43%	0.425	S	S	.	.	H	α-helix	trans	-66	-37.8	175.7	-70.4	178.6	143.2	0	0	111.5	I104 T105 E106 K111 L112	I104-E108 WeakPolarHBondContact CA-OE2 3.44Å; I104-E108 HydrophobicContact CB-CB 4.11Å; T105-E108 PolarHBondContact N-OE2 3.18Å; T105-E108 PolarHBondContact O-N 2.95Å; T105-E108 PolarHBondContact OG1-N 3.23Å; E106-E108 PolarHBondContact O-N 3.01Å; E108-K111 PolarHBondContact O-N 3.5Å; E108-L112 WeakPolarHBondContact O-CB 3.34Å; E108-L112 WeakPolarHBondContact O-CG 3.24Å; E108-L112 PolarHBondContact O-N 3.26Å
109	R	84.1	Confident	83.2	Confident	83 Å²	83	84.9 Å²	84.9	31%	0.313	41%	0.41	S	S	.	.	H	α-helix	trans	-63	-47.1	175.2	-170.4	-178.5	-162.4	143.9	4.1	111.6	I104 T105 E106 E107 K111 L112 R113 E199	I104-R109 HydrophobicContact CD1-CB 3.7Å; I104-R109 HydrophobicContact CD1-CG 4.02Å; I104-R109 HydrophobicContact CG1-CB 4.24Å; T105-R109 WeakPolarHBondContact O-CB 3.37Å; T105-R109 PolarHBondContact O-N 3.43Å; E106-R109 WeakPolarHBondContact O-CB 3.38Å; E106-R109 PolarHBondContact O-N 2.91Å; E107-R109 VanDerWaalsContact C-N 3.32Å; R109-K111 VanDerWaalsContact C-N 3.31Å; R109-K111 PolarHBondContact O-N 3.26Å; R109-L112 PolarHBondContact O-N 3.21Å; R109-R113 WeakPolarHBondContact O-CB 3.22Å; R109-R113 PolarHBondContact O-N 2.62Å; R109-E199 HydrophobicContact CG-CG 4.22Å; R109-E199 IonicContact CZ-OE1 2.96Å; R109-E199 IonicContact NE-OE1 2.99Å; R109-E199 PolarHBondContact NE-OE1 3.46Å; R109-E199 IonicContact NH2-OE1 3.99Å; R109-E199 PolarHBondContact NH2-OE1 3.37Å
110	E	84.9	Confident	83.6	Confident	133 Å²	133	83 Å²	83	62%	0.621	40%	0.397	S	S	*	.	H	α-helix	trans	-62.3	-39.1	176.2	-75.7	-171.1	168.1	0	0	111.8	E106 E107 R113 R114	E106-E110 WeakPolarHBondContact O-CG 3.34Å; E106-E110 PolarHBondContact O-N 3.43Å; E107-E110 PolarHBondContact O-N 2.7Å; E110-R113 WeakPolarHBondContact O-CB 3.39Å; E110-R113 PolarHBondContact O-N 3.26Å; E110-R114 WeakPolarHBondContact O-CB 3.4Å; E110-R114 PolarHBondContact O-N 2.93Å
111	K	86.1	Confident	84.3	Confident	133 Å²	133	81.5 Å²	81.5	58%	0.578	38%	0.384	S	S	*	.	H	α-helix	trans	-63.4	-50	175.1	-173.6	-177.6	175.4	-172.3	0	111.7	E107 E108 R109 R113 R114 E115	E107-K111 WeakPolarHBondContact O-CB 3.2Å; E107-K111 PolarHBondContact O-N 2.66Å; E108-K111 PolarHBondContact O-N 3.5Å; R109-K111 VanDerWaalsContact C-N 3.31Å; R109-K111 PolarHBondContact O-N 3.26Å; K111-R113 VanDerWaalsContact C-N 3.29Å; K111-R113 PolarHBondContact O-N 2.9Å; K111-R114 PolarHBondContact O-N 3.13Å; K111-E115 VanDerWaalsContact CE-OE1 3.23Å; K111-E115 WeakPolarHBondContact CE-OE1 3.06Å; K111-E115 WeakPolarHBondContact O-CG 3.33Å; K111-E115 PolarHBondContact O-N 2.8Å
112	L	85.4	Confident	85.1	Confident	56 Å²	56	79 Å²	79	29%	0.293	36%	0.362	S	S	.	.	H	α-helix	trans	-59.2	-42.5	176.6	-76.7	171.2	0	0	0	111.6	I104 E108 R109 E115 K116	I104-L112 HydrophobicContact CD1-CD1 3.86Å; E108-L112 WeakPolarHBondContact O-CB 3.34Å; E108-L112 WeakPolarHBondContact O-CG 3.24Å; E108-L112 PolarHBondContact O-N 3.26Å; R109-L112 PolarHBondContact O-N 3.21Å; L112-E115 PolarHBondContact O-N 2.85Å; L112-K116 WeakPolarHBondContact O-CB 3.45Å; L112-K116 WeakPolarHBondContact O-CG 3.28Å; L112-K116 PolarHBondContact O-N 3.23Å
113	R	88.5	Confident	86.1	Confident	38 Å²	38	71.6 Å²	71.6	14%	0.143	33%	0.325	C	S	.	.	H	α-helix	trans	-59.3	-49.7	175.4	176.1	-179	-174.2	77.9	11.1	111	R109 E110 K111 E115 K116 L117 L193 K194 F196 I198 E199	R109-R113 WeakPolarHBondContact O-CB 3.22Å; R109-R113 PolarHBondContact O-N 2.62Å; E110-R113 WeakPolarHBondContact O-CB 3.39Å; E110-R113 PolarHBondContact O-N 3.26Å; K111-R113 VanDerWaalsContact C-N 3.29Å; K111-R113 PolarHBondContact O-N 2.9Å; R113-E115 PolarHBondContact O-N 3.17Å; R113-K116 PolarHBondContact O-N 2.75Å; R113-L117 HydrophobicContact CG-CD1 3.89Å; R113-L117 WeakPolarHBondContact O-CB 3.23Å; R113-L117 VanDerWaalsContact O-CG 3.32Å; R113-L117 WeakPolarHBondContact O-CG 3.31Å; R113-L117 PolarHBondContact O-N 2.76Å; R113-L193 PolarHBondContact NH2-O 3.23Å; R113-K194 PolarHBondContact NH2-O 3.21Å; R113-F196 PolarHBondContact NH1-O 3.05Å; R113-F196 PolarHBondContact NH2-O 3.33Å; R113-I198 HydrophobicContact CB-CG2 4.43Å; R113-I198 HydrophobicContact CG-CG2 3.8Å; R113-E199 IonicContact NH1-OE2 3.4Å; R113-E199 PolarHBondContact NH1-OE2 3.47Å; R113-E199 VanDerWaalsContact NH1-OE2 3.09Å
114	R	89.7	Confident	86.9	Confident	124 Å²	124	64.5 Å²	64.5	47%	0.468	29%	0.293	S	S	.	.	H	α-helix	trans	-61.4	-42.9	178.2	-173	-179.9	-74.7	-100.1	-1	111.2	E110 K111 L117 R118 F186 E187	E110-R114 WeakPolarHBondContact O-CB 3.4Å; E110-R114 PolarHBondContact O-N 2.93Å; K111-R114 PolarHBondContact O-N 3.13Å; R114-L117 PolarHBondContact O-N 2.98Å; R114-R118 VanDerWaalsContact O-CB 3.25Å; R114-R118 WeakPolarHBondContact O-CB 3.49Å; R114-R118 PolarHBondContact O-N 3.46Å; R114-F186 HydrophobicContact CG-CE1 3.86Å; R114-F186 HydrophobicContact CG-CZ 3.85Å; R114-E187 IonicContact NH1-OE1 3.13Å; R114-E187 PolarHBondContact NH1-OE1 3.22Å; R114-E187 VanDerWaalsContact NH1-OE1 3.13Å
115	E	88.4	Confident	87.2	Confident	70 Å²	70	62.4 Å²	62.4	33%	0.327	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-42.2	177.5	-73.7	177.6	-178.6	0	0	112.6	K111 L112 R113 R118 F119	K111-E115 VanDerWaalsContact CE-OE1 3.23Å; K111-E115 WeakPolarHBondContact CE-OE1 3.06Å; K111-E115 WeakPolarHBondContact O-CG 3.33Å; K111-E115 PolarHBondContact O-N 2.8Å; L112-E115 PolarHBondContact O-N 2.85Å; R113-E115 PolarHBondContact O-N 3.17Å; E115-R118 PolarHBondContact O-N 3.05Å; E115-F119 PolarHBondContact O-N 3.44Å
116	K	90.3	Very high	86.8	Confident	7 Å²	7	63.9 Å²	63.9	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-68	-43	176.6	-73.4	-179	-177.1	-155.4	0	112.2	H96 R98 L112 R113 R118 F119 V120 I198 E199 M202	H96-K116 VanDerWaalsContact O-CE 3.24Å; H96-K116 WeakPolarHBondContact O-CE 3.28Å; R98-K116 PolarHBondContact O-NZ 2.62Å; L112-K116 WeakPolarHBondContact O-CB 3.45Å; L112-K116 WeakPolarHBondContact O-CG 3.28Å; L112-K116 PolarHBondContact O-N 3.23Å; R113-K116 PolarHBondContact O-N 2.75Å; K116-R118 VanDerWaalsContact C-N 3.31Å; K116-R118 PolarHBondContact O-N 3.44Å; K116-F119 WeakPolarHBondContact O-CB 3.35Å; K116-F119 PolarHBondContact O-N 3.09Å; K116-V120 WeakPolarHBondContact O-CG2 3.4Å; K116-V120 PolarHBondContact O-N 3.34Å; K116-V120 VanDerWaalsContact O-N 3.08Å; K116-I198 HydrophobicContact CB-CG1 4.12Å; K116-E199 PolarHBondContact NZ-O 3.43Å; K116-M202 HydrophobicContact CB-SD 3.85Å; K116-M202 HydrophobicContact CD-CB 4.31Å; K116-M202 HydrophobicContact CD-SD 4.47Å; K116-M202 HydrophobicContact CG-SD 4.16Å; K116-M202 PolarHBondContact NZ-O 3.26Å
117	L	90.7	Very high	86.7	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-37.3	175.3	-69.3	171.3	0	0	0	111.3	R113 R114 F119 V120 F121 F186 F189 L190 L193 I198	R113-L117 HydrophobicContact CG-CD1 3.89Å; R113-L117 WeakPolarHBondContact O-CB 3.23Å; R113-L117 VanDerWaalsContact O-CG 3.32Å; R113-L117 WeakPolarHBondContact O-CG 3.31Å; R113-L117 PolarHBondContact O-N 2.76Å; R114-L117 PolarHBondContact O-N 2.98Å; L117-F119 VanDerWaalsContact C-N 3.31Å; L117-F119 PolarHBondContact O-N 3.4Å; L117-V120 PolarHBondContact O-N 3.09Å; L117-F121 VanDerWaalsContact O-CB 3.26Å; L117-F121 WeakPolarHBondContact O-CB 3.3Å; L117-F121 PolarHBondContact O-N 3.4Å; L117-F186 HydrophobicContact CB-CE2 4.23Å; L117-F189 HydrophobicContact CB-CD1 4.32Å; L117-F189 HydrophobicContact CB-CE1 4.26Å; L117-F189 HydrophobicContact CD2-CD1 4.37Å; L117-F189 HydrophobicContact CD2-CE1 3.87Å; L117-L190 HydrophobicContact CB-CD2 4.03Å; L117-L190 HydrophobicContact CD1-CD2 3.45Å; L117-L190 VanDerWaalsContact CD1-CD2 3.45Å; L117-L190 HydrophobicContact CG-CD2 4.36Å; L117-L193 HydrophobicContact CD2-CB 4.25Å; L117-L193 HydrophobicContact CD2-CD1 3.6Å; L117-I198 HydrophobicContact CD1-CG2 4.27Å; L117-I198 HydrophobicContact CD2-CB 4.14Å; L117-I198 HydrophobicContact CD2-CG1 4.06Å; L117-I198 HydrophobicContact CD2-CG2 4.02Å; L117-I198 HydrophobicContact CG-CG2 3.89Å
118	R	90.2	Very high	86.5	Confident	133 Å²	133	58 Å²	58	50%	0.502	27%	0.27	S	S	.	.	H	α-helix	trans	-60	-43.4	174.1	-169.1	88.9	-172	-91.7	3.6	110.9	R114 E115 K116 F121 N122 F186	R114-R118 VanDerWaalsContact O-CB 3.25Å; R114-R118 WeakPolarHBondContact O-CB 3.49Å; R114-R118 PolarHBondContact O-N 3.46Å; E115-R118 PolarHBondContact O-N 3.05Å; K116-R118 VanDerWaalsContact C-N 3.31Å; K116-R118 PolarHBondContact O-N 3.44Å; R118-F121 WeakPolarHBondContact O-CB 3.14Å; R118-F121 PolarHBondContact O-N 3.2Å; R118-N122 WeakPolarHBondContact O-CB 3.37Å; R118-N122 PolarHBondContact O-N 2.74Å; R118-N122 PolarHBondContact O-ND2 2.96Å; R118-N122 PolarHBondContact O-OD1 3.18Å; R118-F186 VanDerWaalsContact CA-CE2 3.48Å; R118-F186 HydrophobicContact CB-CE2 3.97Å; R118-F186 HydrophobicContact CB-CZ 3.94Å
119	F	89.5	Confident	86.4	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-47	176.5	-179.2	-87.4	0	0	0	112.1	A67 N73 V93 H96 F97 E115 K116 L117 F121 N122 M123 M202	A67-F119 HydrophobicContact CB-CE1 4.27Å; A67-F119 HydrophobicContact CB-CE2 4.14Å; A67-F119 HydrophobicContact CB-CZ 3.63Å; N73-F119 HydrophobicContact CB-CD2 4.22Å; N73-F119 HydrophobicContact CB-CE2 4.14Å; V93-F119 HydrophobicContact CG1-CE2 3.92Å; V93-F119 HydrophobicContact CG1-CZ 4.14Å; H96-F119 HydrophobicContact CB-CD2 4.24Å; H96-F119 HydrophobicContact CB-CG 4.27Å; H96-F119 AromaticContact CD2-CD2 3.7Å; H96-F119 AromaticContact CG-CD2 3.85Å; F97-F119 HydrophobicContact CE1-CE1 4.47Å; F97-F119 AromaticContact CE2-CE1 3.99Å; F97-F119 HydrophobicContact CE2-CE1 3.99Å; F97-F119 AromaticContact CE2-CZ 3.88Å; F97-F119 HydrophobicContact CE2-CZ 3.88Å; F97-F119 HydrophobicContact CZ-CD1 4.32Å; F97-F119 AromaticContact CZ-CE1 3.52Å; F97-F119 HydrophobicContact CZ-CE1 3.52Å; F97-F119 AromaticContact CZ-CZ 3.86Å; F97-F119 HydrophobicContact CZ-CZ 3.86Å; E115-F119 PolarHBondContact O-N 3.44Å; K116-F119 WeakPolarHBondContact O-CB 3.35Å; K116-F119 PolarHBondContact O-N 3.09Å; L117-F119 VanDerWaalsContact C-N 3.31Å; L117-F119 PolarHBondContact O-N 3.4Å; F119-F121 VanDerWaalsContact C-N 3.31Å; F119-F121 PolarHBondContact O-N 3.23Å; F119-N122 PolarHBondContact O-N 2.86Å; F119-M123 WeakPolarHBondContact O-CB 3.38Å; F119-M123 PolarHBondContact O-N 3.44Å; F119-M202 HydrophobicContact CB-CE 4.28Å; F119-M202 HydrophobicContact CD1-CE 3.28Å; F119-M202 HydrophobicContact CE1-CE 3.86Å; F119-M202 HydrophobicContact CG-CE 3.99Å
120	V	89.3	Confident	86.4	Confident	27 Å²	27	55 Å²	55	16%	0.164	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-36.9	177.4	177.9	0	0	0	0	111.3	K116 L117 M123 H124 F189 M202	K116-V120 WeakPolarHBondContact O-CG2 3.4Å; K116-V120 PolarHBondContact O-N 3.34Å; K116-V120 VanDerWaalsContact O-N 3.08Å; L117-V120 PolarHBondContact O-N 3.09Å; V120-M123 HydrophobicContact CG1-CE 4.34Å; V120-M123 WeakPolarHBondContact O-CB 3.4Å; V120-M123 PolarHBondContact O-N 2.8Å; V120-H124 PolarHBondContact O-CD2 3.26Å; V120-H124 PolarHBondContact O-N 2.68Å; V120-F189 HydrophobicContact CB-CE1 4.46Å; V120-F189 HydrophobicContact CB-CZ 4.46Å; V120-F189 HydrophobicContact CG1-CE1 4.39Å; V120-F189 HydrophobicContact CG1-CZ 3.91Å; V120-M202 HydrophobicContact CG2-CE 4.23Å; V120-M202 HydrophobicContact CG2-SD 3.77Å
121	F	89.8	Confident	86.5	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-53.4	175.2	-176.8	-87	0	0	0	111.2	L117 R118 F119 M123 H124 D125 G130 I132 I184 F186 F189	L117-F121 VanDerWaalsContact O-CB 3.26Å; L117-F121 WeakPolarHBondContact O-CB 3.3Å; L117-F121 PolarHBondContact O-N 3.4Å; R118-F121 WeakPolarHBondContact O-CB 3.14Å; R118-F121 PolarHBondContact O-N 3.2Å; F119-F121 VanDerWaalsContact C-N 3.31Å; F119-F121 PolarHBondContact O-N 3.23Å; F121-M123 PolarHBondContact O-N 2.72Å; F121-M123 VanDerWaalsContact O-N 3.16Å; F121-H124 PolarHBondContact O-N 2.89Å; F121-D125 HydrophobicContact CD1-CB 4.2Å; F121-D125 HydrophobicContact CE1-CB 3.86Å; F121-D125 HydrophobicContact CZ-CB 4.44Å; F121-D125 WeakPolarHBondContact O-CB 3.36Å; F121-D125 PolarHBondContact O-N 3.45Å; F121-G130 VanDerWaalsContact CZ-O 3.28Å; F121-G130 WeakPolarHBondContact CZ-O 3.23Å; F121-I132 HydrophobicContact CD2-CD1 3.55Å; F121-I132 HydrophobicContact CD2-CG1 4.06Å; F121-I132 HydrophobicContact CE2-CD1 3.59Å; F121-I132 HydrophobicContact CE2-CG1 3.64Å; F121-I132 HydrophobicContact CG-CD1 4.3Å; F121-I132 HydrophobicContact CZ-CD1 4.36Å; F121-I132 HydrophobicContact CZ-CG1 3.95Å; F121-I184 WeakPolarHBondContact CE2-O 3.39Å; F121-F186 HydrophobicContact CB-CD2 3.93Å; F121-F186 HydrophobicContact CB-CE2 4.27Å; F121-F186 HydrophobicContact CD1-CD2 4.37Å; F121-F186 HydrophobicContact CD2-CB 4.44Å; F121-F186 HydrophobicContact CD2-CD2 4.03Å; F121-F186 HydrophobicContact CE2-CB 4.33Å; F121-F186 AromaticContact CG-CD2 3.84Å; F121-F186 HydrophobicContact CG-CD2 3.84Å; F121-F186 HydrophobicContact CZ-CB 4.43Å; F121-F189 HydrophobicContact CB-CD1 4.32Å; F121-F189 HydrophobicContact CB-CE1 4.41Å; F121-F189 HydrophobicContact CD2-CB 3.95Å; F121-F189 HydrophobicContact CD2-CD1 4.28Å; F121-F189 HydrophobicContact CD2-CD2 4.28Å; F121-F189 AromaticContact CD2-CG 3.94Å; F121-F189 HydrophobicContact CD2-CG 3.94Å; F121-F189 HydrophobicContact CE2-CB 4.39Å
122	N	88.3	Confident	86.5	Confident	10 Å²	10	43.6 Å²	43.6	5%	0.053	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-28.2	177.3	-64.8	-9.8	0	0	0	112.4	R72 N73 R118 F119 H124	R72-N122 PolarHBondContact NH2-O 3.45Å; R72-N122 VanDerWaalsContact NH2-O 3.17Å; N73-N122 PolarHBondContact OD1-ND2 3.3Å; R118-N122 WeakPolarHBondContact O-CB 3.37Å; R118-N122 PolarHBondContact O-N 2.74Å; R118-N122 PolarHBondContact O-ND2 2.96Å; R118-N122 PolarHBondContact O-OD1 3.18Å; F119-N122 PolarHBondContact O-N 2.86Å; N122-H124 VanDerWaalsContact C-N 3.27Å; N122-H124 PolarHBondContact O-N 3.29Å
123	M	87	Confident	86.6	Confident	26 Å²	26	42.5 Å²	42.5	13%	0.128	22%	0.218	C	C	.	.	H	α-helix	trans	-69.3	-25.4	176.8	179.5	-176.3	82.1	0	0	112.6	Q63 A67 F119 V120 F121	Q63-M123 HydrophobicContact CB-CE 4.46Å; Q63-M123 HydrophobicContact CB-CG 3.43Å; Q63-M123 VanDerWaalsContact CB-CG 3.43Å; Q63-M123 HydrophobicContact CB-SD 3.95Å; Q63-M123 HydrophobicContact CG-CG 4.35Å; A67-M123 HydrophobicContact CB-CB 4.39Å; A67-M123 HydrophobicContact CB-CG 4.32Å; F119-M123 WeakPolarHBondContact O-CB 3.38Å; F119-M123 PolarHBondContact O-N 3.44Å; V120-M123 HydrophobicContact CG1-CE 4.34Å; V120-M123 WeakPolarHBondContact O-CB 3.4Å; V120-M123 PolarHBondContact O-N 2.8Å; F121-M123 PolarHBondContact O-N 2.72Å; F121-M123 VanDerWaalsContact O-N 3.16Å
124	H	85.5	Confident	86.4	Confident	35 Å²	35	43.1 Å²	43.1	16%	0.162	22%	0.224	C	C	.	.	H	α-helix	trans	-101	-33.7	178.5	-70.7	-63	0	0	0	113.5	V120 F121 N122 T126 I132	V120-H124 PolarHBondContact O-CD2 3.26Å; V120-H124 PolarHBondContact O-N 2.68Å; F121-H124 PolarHBondContact O-N 2.89Å; N122-H124 VanDerWaalsContact C-N 3.27Å; N122-H124 PolarHBondContact O-N 3.29Å; H124-T126 PolarHBondContact O-N 2.96Å; H124-T126 VanDerWaalsContact O-N 3.1Å; H124-T126 PolarHBondContact O-OG1 2.95Å; H124-I132 HydrophobicContact CB-CD1 3.88Å; H124-I132 HydrophobicContact CB-CG1 4.27Å
125	D	86.4	Confident	86.2	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.229	C	C	.	.			trans	-73	91.7	171.7	169	10.9	0	0	0	109.5	R72 F121 S128 D129 G130 I132	R72-D125 IonicContact CZ-OD2 3.08Å; R72-D125 IonicContact NH1-OD1 3.42Å; R72-D125 IonicContact NH1-OD2 2.7Å; R72-D125 PolarHBondContact NH1-OD2 2.91Å; R72-D125 PolarHBondContact NH2-O 3.29Å; F121-D125 HydrophobicContact CD1-CB 4.2Å; F121-D125 HydrophobicContact CE1-CB 3.86Å; F121-D125 HydrophobicContact CZ-CB 4.44Å; F121-D125 WeakPolarHBondContact O-CB 3.36Å; F121-D125 PolarHBondContact O-N 3.45Å; D125-S128 WeakPolarHBondContact OD1-CA 3.34Å; D125-S128 PolarHBondContact OD1-N 2.84Å; D125-D129 PolarHBondContact OD1-N 3.14Å; D125-G130 WeakPolarHBondContact OD2-CA 3.29Å; D125-G130 PolarHBondContact OD2-N 3.28Å; D125-I132 HydrophobicContact CB-CG1 4.26Å
126	T	77.4	Confident	86.2	Confident	100 Å²	100	40.5 Å²	40.5	61%	0.613	22%	0.217	S	C	*	.	S	Bend	trans	-84.3	-31.2	-169.3	-54.5	0	0	0	0	111.8	H124 E136	H124-T126 PolarHBondContact O-N 2.96Å; H124-T126 VanDerWaalsContact O-N 3.1Å; H124-T126 PolarHBondContact O-OG1 2.95Å; T126-E136 WeakPolarHBondContact CB-OE1 3.46Å; T126-E136 PolarHBondContact N-OE1 3.38Å
127	D	80.9	Confident	86	Confident	97 Å²	97	43.3 Å²	43.3	52%	0.519	23%	0.228	S	C	.	.	S	Bend	trans	-89.7	-5.5	179	65.6	10.4	0	0	0	113.8	D129	D127-D129 VanDerWaalsContact C-N 3.25Å; D127-D129 PolarHBondContact O-N 2.79Å; D127-D129 WeakPolarHBondContact OD1-CB 3.47Å; D127-D129 PolarHBondContact OD1-N 3.1Å; D127-D129 VanDerWaalsContact OD1-N 3.12Å
128	S	79.8	Confident	85.8	Confident	34 Å²	34	46.9 Å²	46.9	24%	0.238	24%	0.241	C	C	.	.			trans	64.2	26.5	178	-49.8	0	0	0	0	114.2	R72 D125 G130	R72-S128 VanDerWaalsContact CZ-OG 3.23Å; R72-S128 PolarHBondContact NH2-OG 3.12Å; D125-S128 WeakPolarHBondContact OD1-CA 3.34Å; D125-S128 PolarHBondContact OD1-N 2.84Å; S128-G130 VanDerWaalsContact C-N 3.25Å
129	D	81.9	Confident	85.5	Confident	88 Å²	88	47.7 Å²	47.7	47%	0.471	24%	0.244	S	C	.	.	S	Bend	trans	-79.4	-10	177.9	80.2	-6.1	0	0	0	112.9	D125 D127 T131	D125-D129 PolarHBondContact OD1-N 3.14Å; D127-D129 VanDerWaalsContact C-N 3.25Å; D127-D129 PolarHBondContact O-N 2.79Å; D127-D129 WeakPolarHBondContact OD1-CB 3.47Å; D127-D129 PolarHBondContact OD1-N 3.1Å; D127-D129 VanDerWaalsContact OD1-N 3.12Å; D129-T131 WeakPolarHBondContact OD1-CA 3.49Å; D129-T131 PolarHBondContact OD1-N 2.8Å
130	G	83.7	Confident	85.3	Confident	34 Å²	34	47.8 Å²	47.8	35%	0.351	25%	0.246	S	C	.	.	S	Bend	trans	85	11.2	179.7	0	0	0	0	0	114.6	F121 D125 S128	F121-G130 VanDerWaalsContact CZ-O 3.28Å; F121-G130 WeakPolarHBondContact CZ-O 3.23Å; D125-G130 WeakPolarHBondContact OD2-CA 3.29Å; D125-G130 PolarHBondContact OD2-N 3.28Å; S128-G130 VanDerWaalsContact C-N 3.25Å
131	T	87	Confident	85.1	Confident	21 Å²	21	47.2 Å²	47.2	13%	0.129	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	119.5	-179.1	-57.2	0	0	0	0	110.3	D129 T133	D129-T131 WeakPolarHBondContact OD1-CA 3.49Å; D129-T131 PolarHBondContact OD1-N 2.8Å; T131-T133 PolarHBondContact O-N 3.32Å
132	I	87.6	Confident	84.8	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	106.6	173.3	-59.7	166.5	0	0	0	108.1	F121 H124 D125 E136 G183 I184 F189	F121-I132 HydrophobicContact CD2-CD1 3.55Å; F121-I132 HydrophobicContact CD2-CG1 4.06Å; F121-I132 HydrophobicContact CE2-CD1 3.59Å; F121-I132 HydrophobicContact CE2-CG1 3.64Å; F121-I132 HydrophobicContact CG-CD1 4.3Å; F121-I132 HydrophobicContact CZ-CD1 4.36Å; F121-I132 HydrophobicContact CZ-CG1 3.95Å; H124-I132 HydrophobicContact CB-CD1 3.88Å; H124-I132 HydrophobicContact CB-CG1 4.27Å; D125-I132 HydrophobicContact CB-CG1 4.26Å; I132-E136 HydrophobicContact CG2-CB 4.15Å; I132-G183 CarbonylContact O-C 3.39Å; I132-G183 WeakPolarHBondContact O-CA 3.47Å; I132-I184 HydrophobicContact CB-CB 4.26Å; I132-I184 PolarHBondContact N-O 3.38Å; I132-I184 PolarHBondContact O-N 3.12Å; I132-F189 HydrophobicContact CD1-CD2 4.28Å; I132-F189 HydrophobicContact CD1-CE2 4.37Å
133	T	87.4	Confident	84.5	Confident	33 Å²	33	51.8 Å²	51.8	20%	0.202	26%	0.264	C	S	.	.			trans	-70	162.5	179.8	63.9	0	0	0	0	111.3	T131 E135 E136 Y137	T131-T133 PolarHBondContact O-N 3.32Å; T133-E135 PolarHBondContact O-N 2.9Å; T133-E136 PolarHBondContact N-OE2 2.9Å; T133-E136 PolarHBondContact O-N 2.93Å; T133-E136 VanDerWaalsContact OG1-CG 3.31Å; T133-E136 WeakPolarHBondContact OG1-CG 3.42Å; T133-E136 PolarHBondContact OG1-N 3.19Å; T133-E136 PolarHBondContact OG1-OE2 3Å; T133-Y137 WeakPolarHBondContact O-CB 3.37Å; T133-Y137 PolarHBondContact O-N 2.81Å
134	L	84.2	Confident	84.3	Confident	51 Å²	51	54.2 Å²	54.2	27%	0.267	28%	0.277	S	S	.	.	H	α-helix	trans	-58.3	-36.1	174.2	177.8	61.9	0	0	0	112.1	R138 M164	L134-R138 HydrophobicContact CD1-CG 4.17Å; L134-R138 HydrophobicContact CG-CG 4.4Å; L134-R138 VanDerWaalsContact O-CB 3.3Å; L134-R138 WeakPolarHBondContact O-CB 3.26Å; L134-R138 VanDerWaalsContact O-CG 3.23Å; L134-R138 WeakPolarHBondContact O-CG 3.48Å; L134-R138 PolarHBondContact O-N 3.5Å; L134-M164 HydrophobicContact CB-CE 4.4Å; L134-M164 HydrophobicContact CD1-CB 3.79Å; L134-M164 HydrophobicContact CD1-CE 4.1Å; L134-M164 HydrophobicContact CD1-CG 3.89Å
135	E	85.1	Confident	84	Confident	123 Å²	123	54.4 Å²	54.4	58%	0.575	28%	0.279	S	S	*	.	H	α-helix	trans	-66.8	-43.3	178.3	-65.9	-164.1	176.2	0	0	112.3	T133 R138 R139	T133-E135 PolarHBondContact O-N 2.9Å; E135-R138 PolarHBondContact O-N 3.44Å; E135-R139 VanDerWaalsContact O-CG 3.31Å; E135-R139 WeakPolarHBondContact O-CG 3.45Å; E135-R139 PolarHBondContact O-N 3.49Å; E135-R139 IonicContact OE2-NH2 3.84Å
136	E	87.7	Confident	83.3	Confident	16 Å²	16	58 Å²	58	8%	0.075	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-42.3	176.8	-70.3	174	128.9	0	0	111.8	T126 I132 T133 R139 A140	T126-E136 WeakPolarHBondContact CB-OE1 3.46Å; T126-E136 PolarHBondContact N-OE1 3.38Å; I132-E136 HydrophobicContact CG2-CB 4.15Å; T133-E136 PolarHBondContact N-OE2 2.9Å; T133-E136 PolarHBondContact O-N 2.93Å; T133-E136 VanDerWaalsContact OG1-CG 3.31Å; T133-E136 WeakPolarHBondContact OG1-CG 3.42Å; T133-E136 PolarHBondContact OG1-N 3.19Å; T133-E136 PolarHBondContact OG1-OE2 3Å; E136-R139 PolarHBondContact O-N 2.95Å; E136-A140 PolarHBondContact O-N 3.03Å
137	Y	86.8	Confident	82.8	Confident	66 Å²	66	58.5 Å²	58.5	26%	0.259	30%	0.298	S	S	.	.	H	α-helix	trans	-62.5	-45.6	175.8	-176.3	-110.7	0	0	0	111.7	T133 R139 A140 V141 A160 A163 M164	T133-Y137 WeakPolarHBondContact O-CB 3.37Å; T133-Y137 PolarHBondContact O-N 2.81Å; Y137-R139 VanDerWaalsContact C-N 3.35Å; Y137-R139 PolarHBondContact O-N 3.16Å; Y137-A140 PolarHBondContact O-N 3.3Å; Y137-V141 HydrophobicContact CD1-CG2 4.28Å; Y137-V141 HydrophobicContact CD2-CG2 4.39Å; Y137-V141 HydrophobicContact CE1-CG2 3.88Å; Y137-V141 HydrophobicContact CE2-CG2 3.98Å; Y137-V141 WeakPolarHBondContact O-CG2 3.47Å; Y137-V141 PolarHBondContact O-N 3.17Å; Y137-A160 HydrophobicContact CD1-CB 4Å; Y137-A160 HydrophobicContact CE1-CB 4.01Å; Y137-A160 WeakPolarHBondContact CE1-O 3.45Å; Y137-A163 HydrophobicContact CE1-CB 4.02Å; Y137-A163 WeakPolarHBondContact OH-CB 3.37Å; Y137-M164 VanDerWaalsContact CB-CE 3.45Å; Y137-M164 HydrophobicContact CD1-CE 3.72Å; Y137-M164 HydrophobicContact CG-CE 3.66Å
138	R	85.5	Confident	81.9	Confident	74 Å²	74	56.7 Å²	56.7	28%	0.279	30%	0.296	S	S	.	.	H	α-helix	trans	-56.6	-47.8	174.2	-80.7	171.1	173.1	175.3	-2.6	111.4	L134 E135 A140 V141 E142 A160 D161	L134-R138 HydrophobicContact CD1-CG 4.17Å; L134-R138 HydrophobicContact CG-CG 4.4Å; L134-R138 VanDerWaalsContact O-CB 3.3Å; L134-R138 WeakPolarHBondContact O-CB 3.26Å; L134-R138 VanDerWaalsContact O-CG 3.23Å; L134-R138 WeakPolarHBondContact O-CG 3.48Å; L134-R138 PolarHBondContact O-N 3.5Å; E135-R138 PolarHBondContact O-N 3.44Å; R138-A140 VanDerWaalsContact C-N 3.34Å; R138-A140 PolarHBondContact O-N 3.38Å; R138-V141 PolarHBondContact O-N 2.75Å; R138-E142 WeakPolarHBondContact O-CB 3.48Å; R138-E142 VanDerWaalsContact O-CG 3.31Å; R138-E142 WeakPolarHBondContact O-CG 3.41Å; R138-E142 PolarHBondContact O-N 2.91Å; R138-A160 HydrophobicContact CB-CB 4.37Å; R138-A160 HydrophobicContact CG-CB 3.72Å; R138-D161 IonicContact CZ-OD1 2.97Å; R138-D161 IonicContact CZ-OD2 2.71Å; R138-D161 IonicContact NE-OD1 3.09Å; R138-D161 PolarHBondContact NE-OD1 3.39Å; R138-D161 IonicContact NE-OD2 3.84Å; R138-D161 IonicContact NH2-OD1 3.2Å; R138-D161 PolarHBondContact NH2-OD1 3.34Å; R138-D161 IonicContact NH2-OD2 3.27Å; R138-D161 PolarHBondContact NH2-OD2 3.47Å
139	R	84.8	Confident	80.9	Confident	150 Å²	150	58.4 Å²	58.4	57%	0.566	32%	0.319	S	S	*	.	H	α-helix	trans	-58.9	-45.4	177.5	-73.3	176.2	-168.6	174.9	9.7	111.5	E135 E136 Y137 V141 E142 E143	E135-R139 VanDerWaalsContact O-CG 3.31Å; E135-R139 WeakPolarHBondContact O-CG 3.45Å; E135-R139 PolarHBondContact O-N 3.49Å; E135-R139 IonicContact OE2-NH2 3.84Å; E136-R139 PolarHBondContact O-N 2.95Å; Y137-R139 VanDerWaalsContact C-N 3.35Å; Y137-R139 PolarHBondContact O-N 3.16Å; R139-V141 PolarHBondContact O-N 2.71Å; R139-E142 PolarHBondContact O-N 3.25Å; R139-E143 WeakPolarHBondContact O-CG 3.45Å; R139-E143 PolarHBondContact O-N 3.14Å
140	A	84.9	Confident	79.9	Confident	8 Å²	8	60 Å²	60	7%	0.066	33%	0.332	C	S	.	.	H	α-helix	trans	-61.9	-43.9	178.1	0	0	0	0	0	112.4	E136 Y137 R138 L144	E136-A140 PolarHBondContact O-N 3.03Å; Y137-A140 PolarHBondContact O-N 3.3Å; R138-A140 VanDerWaalsContact C-N 3.34Å; R138-A140 PolarHBondContact O-N 3.38Å; A140-L144 WeakPolarHBondContact O-CB 3.29Å; A140-L144 VanDerWaalsContact O-CG 3.28Å; A140-L144 WeakPolarHBondContact O-CG 3.47Å; A140-L144 PolarHBondContact O-N 3.3Å; A140-L144 VanDerWaalsContact O-N 3.12Å
141	V	84.6	Confident	79.3	Confident	15 Å²	15	61 Å²	61	9%	0.091	33%	0.329	C	S	.	.	H	α-helix	trans	-67.3	-43.6	177.4	173.4	0	0	0	0	111.2	Y137 R138 R139 E143 L144 L145 A160	Y137-V141 HydrophobicContact CD1-CG2 4.28Å; Y137-V141 HydrophobicContact CD2-CG2 4.39Å; Y137-V141 HydrophobicContact CE1-CG2 3.88Å; Y137-V141 HydrophobicContact CE2-CG2 3.98Å; Y137-V141 WeakPolarHBondContact O-CG2 3.47Å; Y137-V141 PolarHBondContact O-N 3.17Å; R138-V141 PolarHBondContact O-N 2.75Å; R139-V141 PolarHBondContact O-N 2.71Å; V141-E143 PolarHBondContact O-N 2.95Å; V141-L144 PolarHBondContact O-N 2.97Å; V141-L145 HydrophobicContact CG1-CD1 3.55Å; V141-L145 HydrophobicContact CG1-CG 4.07Å; V141-L145 WeakPolarHBondContact O-CB 3.33Å; V141-L145 VanDerWaalsContact O-CG 3.28Å; V141-L145 WeakPolarHBondContact O-CG 3.45Å; V141-L145 PolarHBondContact O-N 3.2Å; V141-A160 HydrophobicContact CB-CB 4.12Å; V141-A160 HydrophobicContact CG1-CB 4.21Å; V141-A160 HydrophobicContact CG2-CB 4.2Å
142	E	83.3	Confident	78.7	Confident	35 Å²	35	62.1 Å²	62.1	16%	0.164	35%	0.345	C	S	.	.	H	α-helix	trans	-58.8	-45.3	176.4	-78.5	-177.7	-154.4	0	0	111.5	R138 R139 L144 L145 S146 Q153 A156 K157	R138-E142 WeakPolarHBondContact O-CB 3.48Å; R138-E142 VanDerWaalsContact O-CG 3.31Å; R138-E142 WeakPolarHBondContact O-CG 3.41Å; R138-E142 PolarHBondContact O-N 2.91Å; R139-E142 PolarHBondContact O-N 3.25Å; E142-L144 PolarHBondContact O-N 2.96Å; E142-L145 PolarHBondContact O-N 3.34Å; E142-S146 WeakPolarHBondContact O-CB 3.5Å; E142-S146 PolarHBondContact O-N 3.44Å; E142-S146 PolarHBondContact O-OG 3.32Å; E142-Q153 HydrophobicContact CG-CG 4.41Å; E142-Q153 PolarHBondContact OE2-NE2 3.35Å; E142-A156 HydrophobicContact CG-CB 4Å; E142-K157 WeakPolarHBondContact OE1-CE 3.25Å; E142-K157 WeakPolarHBondContact OE1-CG 3.3Å
143	E	82.1	Confident	78.1	Confident	76 Å²	76	67.7 Å²	67.7	36%	0.355	37%	0.371	S	S	.	.	H	α-helix	trans	-63.6	-42	177.7	-74.3	-179.8	176.5	0	0	112.2	Q63 R139 V141 S146	Q63-E143 PolarHBondContact NE2-OE2 3.18Å; R139-E143 WeakPolarHBondContact O-CG 3.45Å; R139-E143 PolarHBondContact O-N 3.14Å; V141-E143 PolarHBondContact O-N 2.95Å; E143-S146 PolarHBondContact O-OG 2.81Å
144	L	83.5	Confident	77.9	Confident	76 Å²	76	74.2 Å²	74.2	40%	0.398	40%	0.399	S	S	.	.	H	α-helix	trans	-64.8	-42.2	177.4	-74.6	169.4	0	0	0	112.6	P59 L60 A140 V141 E142	P59-L144 HydrophobicContact CB-CD2 4.1Å; L60-L144 HydrophobicContact CD1-CD2 4.48Å; L60-L144 HydrophobicContact CD2-CD2 3.84Å; L60-L144 HydrophobicContact CD2-CG 4.29Å; L60-L144 HydrophobicContact CG-CD2 4.04Å; A140-L144 WeakPolarHBondContact O-CB 3.29Å; A140-L144 VanDerWaalsContact O-CG 3.28Å; A140-L144 WeakPolarHBondContact O-CG 3.47Å; A140-L144 PolarHBondContact O-N 3.3Å; A140-L144 VanDerWaalsContact O-N 3.12Å; V141-L144 PolarHBondContact O-N 2.97Å; E142-L144 PolarHBondContact O-N 2.96Å
145	L	79.6	Confident	77.8	Confident	40 Å²	40	75.6 Å²	75.6	21%	0.209	41%	0.409	C	S	.	.	H	α-helix	trans	-85.8	-32.5	-174.7	-63.1	-176.8	0	0	0	113.2	V141 E142 K147 A148 I151 A156 I159	V141-L145 HydrophobicContact CG1-CD1 3.55Å; V141-L145 HydrophobicContact CG1-CG 4.07Å; V141-L145 WeakPolarHBondContact O-CB 3.33Å; V141-L145 VanDerWaalsContact O-CG 3.28Å; V141-L145 WeakPolarHBondContact O-CG 3.45Å; V141-L145 PolarHBondContact O-N 3.2Å; E142-L145 PolarHBondContact O-N 3.34Å; L145-K147 PolarHBondContact O-N 3.31Å; L145-A148 WeakPolarHBondContact O-CB 3.38Å; L145-A148 PolarHBondContact O-N 3.26Å; L145-A148 VanDerWaalsContact O-N 3.12Å; L145-I151 HydrophobicContact CB-CB 4.42Å; L145-I151 HydrophobicContact CD1-CD1 4.13Å; L145-I151 HydrophobicContact CD1-CG2 4.39Å; L145-I151 HydrophobicContact CD2-CD1 4.11Å; L145-A156 HydrophobicContact CB-CB 4.37Å; L145-A156 HydrophobicContact CD1-CB 3.94Å; L145-I159 HydrophobicContact CD1-CD1 3.97Å
146	S	70.6	Confident	77.7	Confident	75 Å²	75	69.9 Å²	69.9	52%	0.524	38%	0.383	S	S	.	.	H	α-helix	trans	-64.1	-41	-179.2	56.7	0	0	0	0	112.5	E142 E143 A148 G149	E142-S146 WeakPolarHBondContact O-CB 3.5Å; E142-S146 PolarHBondContact O-N 3.44Å; E142-S146 PolarHBondContact O-OG 3.32Å; E143-S146 PolarHBondContact O-OG 2.81Å; S146-A148 VanDerWaalsContact C-N 3.27Å; S146-A148 PolarHBondContact O-N 2.9Å; S146-G149 PolarHBondContact O-N 3.47Å
147	K	67.4	Low	77.5	Confident	112 Å²	112	73 Å²	73	49%	0.487	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.8	175.1	-69.4	-160.8	-173.3	-177.9	0	113.4	D56 N58 P59 L145 G149	D56-K147 PolarHBondContact O-NZ 3.08Å; D56-K147 VanDerWaalsContact O-NZ 3.13Å; N58-K147 PolarHBondContact O-NZ 3.46Å; P59-K147 HydrophobicContact CB-CD 4.27Å; P59-K147 HydrophobicContact CG-CB 3.99Å; P59-K147 HydrophobicContact CG-CD 4.07Å; P59-K147 HydrophobicContact CG-CG 4.47Å; L145-K147 PolarHBondContact O-N 3.31Å; K147-G149 PolarHBondContact O-N 3.05Å
148	A	61.7	Low	77.5	Confident	58 Å²	58	72.7 Å²	72.7	48%	0.479	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	0.5	174.3	0	0	0	0	0	113.4	L145 S146 T150	L145-A148 WeakPolarHBondContact O-CB 3.38Å; L145-A148 PolarHBondContact O-N 3.26Å; L145-A148 VanDerWaalsContact O-N 3.12Å; S146-A148 VanDerWaalsContact C-N 3.27Å; S146-A148 PolarHBondContact O-N 2.9Å; A148-T150 PolarHBondContact O-N 3.49Å; A148-T150 PolarHBondContact O-OG1 2.98Å; A148-T150 VanDerWaalsContact O-OG1 3.13Å
149	G	58.8	Low	77.5	Confident	71 Å²	71	72.6 Å²	72.6	73%	0.732	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	6.7	162.2	0	0	0	0	0	116.8	S146 K147	S146-G149 PolarHBondContact O-N 3.47Å; K147-G149 PolarHBondContact O-N 3.05Å
150	T	61.8	Low	77.6	Confident	121 Å²	121	65.4 Å²	65.4	74%	0.742	39%	0.385	S	S	*	.	S	Bend	trans	-123.7	-14.5	-169.7	39.9	0	0	0	0	114.5	A148	A148-T150 PolarHBondContact O-N 3.49Å; A148-T150 PolarHBondContact O-OG1 2.98Å; A148-T150 VanDerWaalsContact O-OG1 3.13Å
151	I	70.5	Confident	77.6	Confident	55 Å²	55	67.7 Å²	67.7	28%	0.282	40%	0.396	S	S	.	.			trans	-126.9	126.5	-169.9	-59.2	-179.6	0	0	0	110.2	L145 T155 A156 I159	L145-I151 HydrophobicContact CB-CB 4.42Å; L145-I151 HydrophobicContact CD1-CD1 4.13Å; L145-I151 HydrophobicContact CD1-CG2 4.39Å; L145-I151 HydrophobicContact CD2-CD1 4.11Å; I151-T155 HydrophobicContact CG2-CG2 3.79Å; I151-A156 HydrophobicContact CG2-CB 4.33Å; I151-I159 HydrophobicContact CD1-CD1 4.18Å; I151-I159 HydrophobicContact CG2-CD1 4.31Å
152	G	73.9	Confident	77.7	Confident	45 Å²	45	69.5 Å²	69.5	46%	0.464	41%	0.413	S	S	.	.			trans	-71.3	156.2	175.2	0	0	0	0	0	112.4	E154 T155 A156	G152-E154 VanDerWaalsContact C-N 3.28Å; G152-E154 PolarHBondContact O-N 3.43Å; G152-T155 PolarHBondContact O-N 3.48Å; G152-A156 PolarHBondContact O-N 2.91Å
153	Q	76.8	Confident	77.8	Confident	122 Å²	122	69 Å²	69	57%	0.57	41%	0.414	S	S	*	.	H	α-helix	trans	-57.9	-38.2	-175.4	-165.2	-180	10.6	0	0	112.9	E142 A156 K157	E142-Q153 HydrophobicContact CG-CG 4.41Å; E142-Q153 PolarHBondContact OE2-NE2 3.35Å; Q153-A156 PolarHBondContact O-N 3.49Å; Q153-K157 WeakPolarHBondContact O-CG 3.36Å; Q153-K157 PolarHBondContact O-N 2.94Å
154	E	81.5	Confident	77.8	Confident	169 Å²	169	65.8 Å²	65.8	79%	0.79	40%	0.399	S	S	*	.	H	α-helix	trans	-65.9	-37.6	177	-64.6	-169.4	120	0	0	112.7	G152 K157 A158	G152-E154 VanDerWaalsContact C-N 3.28Å; G152-E154 PolarHBondContact O-N 3.43Å; E154-K157 PolarHBondContact O-N 2.85Å; E154-A158 PolarHBondContact O-N 3.29Å
155	T	83.6	Confident	77.8	Confident	80 Å²	80	68.1 Å²	68.1	49%	0.491	41%	0.411	S	S	.	.	H	α-helix	trans	-70.4	-39	176.4	-48.9	0	0	0	0	111.3	I151 G152 K157 A158 I159	I151-T155 HydrophobicContact CG2-CG2 3.79Å; G152-T155 PolarHBondContact O-N 3.48Å; T155-K157 VanDerWaalsContact C-N 3.31Å; T155-K157 PolarHBondContact O-N 3.25Å; T155-A158 PolarHBondContact O-N 2.87Å; T155-I159 HydrophobicContact CG2-CD1 4.15Å; T155-I159 VanDerWaalsContact O-CG1 3.26Å; T155-I159 WeakPolarHBondContact O-CG1 3.28Å; T155-I159 PolarHBondContact O-N 3.02Å
156	A	83	Confident	77.9	Confident	3 Å²	3	72.8 Å²	72.8	3%	0.025	43%	0.432	C	S	.	.	H	α-helix	trans	-61	-40.6	174.3	0	0	0	0	0	111.8	E142 L145 I151 G152 Q153 I159 A160	E142-A156 HydrophobicContact CG-CB 4Å; L145-A156 HydrophobicContact CB-CB 4.37Å; L145-A156 HydrophobicContact CD1-CB 3.94Å; I151-A156 HydrophobicContact CG2-CB 4.33Å; G152-A156 PolarHBondContact O-N 2.91Å; Q153-A156 PolarHBondContact O-N 3.49Å; A156-I159 PolarHBondContact O-N 2.94Å; A156-A160 WeakPolarHBondContact O-CB 3.33Å; A156-A160 PolarHBondContact O-N 3.2Å
157	K	82.9	Confident	78.4	Confident	82 Å²	82	70 Å²	70	36%	0.357	41%	0.412	S	S	.	.	H	α-helix	trans	-61.1	-47.8	173	-72.7	174.3	-178.6	177.6	0	112.1	E142 Q153 E154 T155 I159 A160 D161	E142-K157 WeakPolarHBondContact OE1-CE 3.25Å; E142-K157 WeakPolarHBondContact OE1-CG 3.3Å; Q153-K157 WeakPolarHBondContact O-CG 3.36Å; Q153-K157 PolarHBondContact O-N 2.94Å; E154-K157 PolarHBondContact O-N 2.85Å; T155-K157 VanDerWaalsContact C-N 3.31Å; T155-K157 PolarHBondContact O-N 3.25Å; K157-I159 VanDerWaalsContact C-N 3.3Å; K157-I159 PolarHBondContact O-N 3.02Å; K157-A160 PolarHBondContact O-N 3.2Å; K157-D161 VanDerWaalsContact O-CG 3.23Å; K157-D161 PolarHBondContact O-N 2.99Å
158	A	85.9	Confident	79	Confident	59 Å²	59	64.9 Å²	64.9	49%	0.488	39%	0.391	S	S	.	.	H	α-helix	trans	-61.6	-37.9	178.2	0	0	0	0	0	112.5	E154 T155 D161 A162	E154-A158 PolarHBondContact O-N 3.29Å; T155-A158 PolarHBondContact O-N 2.87Å; A158-D161 PolarHBondContact O-N 3.2Å; A158-A162 WeakPolarHBondContact O-CB 3.32Å; A158-A162 PolarHBondContact O-N 3.21Å
159	I	86.4	Confident	79.6	Confident	72 Å²	72	65.5 Å²	65.5	37%	0.369	39%	0.391	S	S	.	.	H	α-helix	trans	-64.4	-46.7	174.5	-68.7	164.2	0	0	0	110.5	L145 I151 T155 A156 K157 D161 A162 A163	L145-I159 HydrophobicContact CD1-CD1 3.97Å; I151-I159 HydrophobicContact CD1-CD1 4.18Å; I151-I159 HydrophobicContact CG2-CD1 4.31Å; T155-I159 HydrophobicContact CG2-CD1 4.15Å; T155-I159 VanDerWaalsContact O-CG1 3.26Å; T155-I159 WeakPolarHBondContact O-CG1 3.28Å; T155-I159 PolarHBondContact O-N 3.02Å; A156-I159 PolarHBondContact O-N 2.94Å; K157-I159 VanDerWaalsContact C-N 3.3Å; K157-I159 PolarHBondContact O-N 3.02Å; I159-D161 VanDerWaalsContact C-N 3.31Å; I159-D161 PolarHBondContact O-N 3.29Å; I159-A162 PolarHBondContact O-N 2.86Å; I159-A163 WeakPolarHBondContact O-CB 3.48Å; I159-A163 PolarHBondContact O-N 2.74Å
160	A	86.4	Confident	80.4	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-61.6	-40.7	178.8	0	0	0	0	0	111.8	Y137 R138 V141 A156 K157 M164	Y137-A160 HydrophobicContact CD1-CB 4Å; Y137-A160 HydrophobicContact CE1-CB 4.01Å; Y137-A160 WeakPolarHBondContact CE1-O 3.45Å; R138-A160 HydrophobicContact CB-CB 4.37Å; R138-A160 HydrophobicContact CG-CB 3.72Å; V141-A160 HydrophobicContact CB-CB 4.12Å; V141-A160 HydrophobicContact CG1-CB 4.21Å; V141-A160 HydrophobicContact CG2-CB 4.2Å; A156-A160 WeakPolarHBondContact O-CB 3.33Å; A156-A160 PolarHBondContact O-N 3.2Å; K157-A160 PolarHBondContact O-N 3.2Å; A160-M164 WeakPolarHBondContact O-CB 3.4Å; A160-M164 PolarHBondContact O-N 2.7Å
161	D	85.1	Confident	80.7	Confident	56 Å²	56	62 Å²	62	30%	0.299	36%	0.355	S	S	.	.	H	α-helix	trans	-65.4	-46	177.6	-69.9	-8.3	0	0	0	112.2	R138 K157 A158 I159 M164 L165	R138-D161 IonicContact CZ-OD1 2.97Å; R138-D161 IonicContact CZ-OD2 2.71Å; R138-D161 IonicContact NE-OD1 3.09Å; R138-D161 PolarHBondContact NE-OD1 3.39Å; R138-D161 IonicContact NE-OD2 3.84Å; R138-D161 IonicContact NH2-OD1 3.2Å; R138-D161 PolarHBondContact NH2-OD1 3.34Å; R138-D161 IonicContact NH2-OD2 3.27Å; R138-D161 PolarHBondContact NH2-OD2 3.47Å; K157-D161 VanDerWaalsContact O-CG 3.23Å; K157-D161 PolarHBondContact O-N 2.99Å; A158-D161 PolarHBondContact O-N 3.2Å; I159-D161 VanDerWaalsContact C-N 3.31Å; I159-D161 PolarHBondContact O-N 3.29Å; D161-M164 PolarHBondContact O-N 3.48Å; D161-L165 WeakPolarHBondContact O-CB 3.23Å; D161-L165 PolarHBondContact O-N 3.47Å
162	A	86.5	Confident	80.4	Confident	53 Å²	53	64 Å²	64	44%	0.438	36%	0.36	S	S	.	.	H	α-helix	trans	-61.6	-46	177.5	0	0	0	0	0	111.3	A158 I159 M164 L165 E166	A158-A162 WeakPolarHBondContact O-CB 3.32Å; A158-A162 PolarHBondContact O-N 3.21Å; I159-A162 PolarHBondContact O-N 2.86Å; A162-M164 PolarHBondContact O-N 3.34Å; A162-L165 PolarHBondContact O-N 3.5Å; A162-E166 PolarHBondContact O-N 2.87Å
163	A	85.8	Confident	79.9	Confident	23 Å²	23	63.8 Å²	63.8	19%	0.19	36%	0.357	C	S	.	.	H	α-helix	trans	-63.8	-39.7	177.7	0	0	0	0	0	112	Y137 I159 L165 E166 V167	Y137-A163 HydrophobicContact CE1-CB 4.02Å; Y137-A163 WeakPolarHBondContact OH-CB 3.37Å; I159-A163 WeakPolarHBondContact O-CB 3.48Å; I159-A163 PolarHBondContact O-N 2.74Å; A163-L165 VanDerWaalsContact C-N 3.34Å; A163-L165 PolarHBondContact O-N 2.84Å; A163-E166 PolarHBondContact O-N 3.06Å; A163-V167 WeakPolarHBondContact O-CG2 3.37Å; A163-V167 PolarHBondContact O-N 3.02Å
164	M	82.9	Confident	78.8	Confident	10 Å²	10	67.7 Å²	67.7	5%	0.049	37%	0.372	C	S	.	.	H	α-helix	trans	-65.2	-38.9	176.9	-167.4	65.1	84	0	0	112	L134 Y137 A160 D161 A162 V167 A168 Y181 I184	L134-M164 HydrophobicContact CB-CE 4.4Å; L134-M164 HydrophobicContact CD1-CB 3.79Å; L134-M164 HydrophobicContact CD1-CE 4.1Å; L134-M164 HydrophobicContact CD1-CG 3.89Å; Y137-M164 VanDerWaalsContact CB-CE 3.45Å; Y137-M164 HydrophobicContact CD1-CE 3.72Å; Y137-M164 HydrophobicContact CG-CE 3.66Å; A160-M164 WeakPolarHBondContact O-CB 3.4Å; A160-M164 PolarHBondContact O-N 2.7Å; D161-M164 PolarHBondContact O-N 3.48Å; A162-M164 PolarHBondContact O-N 3.34Å; M164-V167 PolarHBondContact O-N 3.42Å; M164-A168 WeakPolarHBondContact O-CB 3.42Å; M164-A168 PolarHBondContact O-N 3.12Å; M164-Y181 HydrophobicContact CG-CD1 3.94Å; M164-Y181 HydrophobicContact CG-CE1 4.04Å; M164-Y181 HydrophobicContact SD-CD1 4Å; M164-Y181 HydrophobicContact SD-CE1 3.52Å; M164-Y181 VanDerWaalsContact SD-CE1 3.52Å; M164-I184 HydrophobicContact CE-CD1 3.9Å; M164-I184 HydrophobicContact CE-CG1 3.95Å; M164-I184 HydrophobicContact SD-CD1 3.67Å; M164-I184 HydrophobicContact SD-CG1 3.5Å; M164-I184 VanDerWaalsContact SD-CG1 3.5Å
165	L	82.3	Confident	77.8	Confident	125 Å²	125	62.5 Å²	62.5	65%	0.654	35%	0.349	S	S	*	.	H	α-helix	trans	-64.4	-40.4	176.5	-166.9	75.9	0	0	0	111.7	D161 A162 A163 A168 S169	D161-L165 WeakPolarHBondContact O-CB 3.23Å; D161-L165 PolarHBondContact O-N 3.47Å; A162-L165 PolarHBondContact O-N 3.5Å; A163-L165 VanDerWaalsContact C-N 3.34Å; A163-L165 PolarHBondContact O-N 2.84Å; L165-A168 PolarHBondContact O-N 3.4Å; L165-S169 WeakPolarHBondContact O-CB 3.18Å; L165-S169 PolarHBondContact O-N 2.89Å; L165-S169 PolarHBondContact O-OG 3.48Å
166	E	82.8	Confident	76.7	Confident	137 Å²	137	65.2 Å²	65.2	64%	0.64	36%	0.355	S	S	*	.	H	α-helix	trans	-61.1	-45.2	173.6	-74.8	-175.1	172.7	0	0	111.5	A162 A163 S169 T170	A162-E166 PolarHBondContact O-N 2.87Å; A163-E166 PolarHBondContact O-N 3.06Å; E166-S169 PolarHBondContact O-N 2.84Å; E166-S169 PolarHBondContact O-OG 3.44Å; E166-T170 WeakPolarHBondContact O-CB 3.47Å; E166-T170 PolarHBondContact O-N 3.05Å; E166-T170 PolarHBondContact O-OG1 2.86Å
167	V	80.9	Confident	75.6	Confident	18 Å²	18	70.9 Å²	70.9	11%	0.109	39%	0.392	C	S	.	.	H	α-helix	trans	-59.8	-49.1	176.1	170	0	0	0	0	111.1	A163 M164 S169 T170 T171 Y181 I184 I192	A163-V167 WeakPolarHBondContact O-CG2 3.37Å; A163-V167 PolarHBondContact O-N 3.02Å; M164-V167 PolarHBondContact O-N 3.42Å; V167-S169 VanDerWaalsContact C-N 3.34Å; V167-S169 PolarHBondContact O-N 2.7Å; V167-T170 PolarHBondContact O-N 2.62Å; V167-T170 VanDerWaalsContact O-N 3.17Å; V167-T171 PolarHBondContact O-N 3.3Å; V167-T171 PolarHBondContact O-OG1 3.09Å; V167-Y181 WeakPolarHBondContact CG1-OH 3.34Å; V167-I184 HydrophobicContact CG1-CD1 4.19Å; V167-I184 HydrophobicContact CG1-CG1 4.05Å; V167-I192 HydrophobicContact CB-CD1 4.16Å; V167-I192 HydrophobicContact CG1-CD1 3.32Å; V167-I192 HydrophobicContact CG1-CG1 4Å; V167-I192 HydrophobicContact CG2-CD1 3.7Å; V167-I192 HydrophobicContact CG2-CG1 4.06Å
168	A	78.6	Confident	74.6	Confident	4 Å²	4	74.9 Å²	74.9	3%	0.033	42%	0.418	C	S	.	.	H	α-helix	trans	-54.9	-48	177.2	0	0	0	0	0	112	M164 L165 T170 T171 R172 M175 Y181	M164-A168 WeakPolarHBondContact O-CB 3.42Å; M164-A168 PolarHBondContact O-N 3.12Å; L165-A168 PolarHBondContact O-N 3.4Å; A168-T170 VanDerWaalsContact C-N 3.31Å; A168-T170 PolarHBondContact O-N 2.85Å; A168-T171 PolarHBondContact O-N 3.2Å; A168-R172 PolarHBondContact O-N 3.39Å; A168-M175 HydrophobicContact CB-CE 3.54Å; A168-M175 HydrophobicContact CB-SD 4.18Å; A168-Y181 HydrophobicContact CB-CD1 4.25Å; A168-Y181 HydrophobicContact CB-CD2 3.82Å; A168-Y181 HydrophobicContact CB-CE1 4.43Å; A168-Y181 HydrophobicContact CB-CE2 3.95Å; A168-Y181 HydrophobicContact CB-CG 3.92Å
169	S	75.8	Confident	73.4	Confident	70 Å²	70	76.2 Å²	76.2	49%	0.49	41%	0.413	S	S	.	.	H	α-helix	trans	-65.1	-32.9	179.1	71.8	0	0	0	0	113.3	L165 E166 V167 G173	L165-S169 WeakPolarHBondContact O-CB 3.18Å; L165-S169 PolarHBondContact O-N 2.89Å; L165-S169 PolarHBondContact O-OG 3.48Å; E166-S169 PolarHBondContact O-N 2.84Å; E166-S169 PolarHBondContact O-OG 3.44Å; V167-S169 VanDerWaalsContact C-N 3.34Å; V167-S169 PolarHBondContact O-N 2.7Å; S169-G173 WeakPolarHBondContact O-CA 3.43Å; S169-G173 PolarHBondContact O-N 3.38Å
170	T	74.8	Confident	72.4	Confident	91 Å²	91	80.8 Å²	80.8	56%	0.558	43%	0.431	S	S	*	.	H	α-helix	trans	-79.5	-33.5	-179.2	-56.5	0	0	0	0	112.6	E166 V167 A168	E166-T170 WeakPolarHBondContact O-CB 3.47Å; E166-T170 PolarHBondContact O-N 3.05Å; E166-T170 PolarHBondContact O-OG1 2.86Å; V167-T170 PolarHBondContact O-N 2.62Å; V167-T170 VanDerWaalsContact O-N 3.17Å; A168-T170 VanDerWaalsContact C-N 3.31Å; A168-T170 PolarHBondContact O-N 2.85Å
171	T	68.8	Low	71.7	Confident	27 Å²	27	82 Å²	82	17%	0.166	44%	0.436	C	S	.	.	H	α-helix	trans	-94.7	-34.9	-174.4	43.4	0	0	0	0	114	V167 A168 N188	V167-T171 PolarHBondContact O-N 3.3Å; V167-T171 PolarHBondContact O-OG1 3.09Å; A168-T171 PolarHBondContact O-N 3.2Å; T171-N188 WeakPolarHBondContact CB-OD1 3.44Å; T171-N188 HydrophobicContact CG2-CB 3.77Å
172	R	64.5	Low	71.1	Confident	99 Å²	99	85.7 Å²	85.7	37%	0.374	45%	0.451	S	S	.	.	H	α-helix	trans	-109.7	-8.5	-179.8	-72	-162	-176	173.5	6.6	115	A168 M175 E179	A168-R172 PolarHBondContact O-N 3.39Å; R172-M175 HydrophobicContact CB-CE 4.37Å; R172-E179 IonicContact CZ-OE1 3.66Å; R172-E179 IonicContact NH1-OE1 3.72Å; R172-E179 PolarHBondContact NH1-OE1 2.86Å
173	G	63.3	Low	71	Confident	39 Å²	39	83.2 Å²	83.2	40%	0.402	43%	0.431	S	S	.	.			trans	78.1	-149.4	-175.2	0	0	0	0	0	112.6	S169 M175	S169-G173 WeakPolarHBondContact O-CA 3.43Å; S169-G173 PolarHBondContact O-N 3.38Å; G173-M175 PolarHBondContact O-N 2.91Å
174	K	53.7	Low	71	Confident	205 Å²	205	82.5 Å²	82.5	89%	0.891	42%	0.424	S	S	*	.	S	Bend	trans	-70.7	110.3	176.4	-76.8	-173.5	177.3	-177.1	0	109.3
175	M	59.5	Low	71.3	Confident	60 Å²	60	84.2 Å²	84.2	30%	0.296	44%	0.435	S	S	.	.			trans	-66	137.3	168.9	-75.3	176.4	169.9	0	0	110.4	A168 R172 G173 Y181	A168-M175 HydrophobicContact CB-CE 3.54Å; A168-M175 HydrophobicContact CB-SD 4.18Å; R172-M175 HydrophobicContact CB-CE 4.37Å; G173-M175 PolarHBondContact O-N 2.91Å; M175-Y181 HydrophobicContact CE-CD2 3.24Å; M175-Y181 HydrophobicContact CE-CE2 4.13Å; M175-Y181 HydrophobicContact CE-CG 3.81Å
176	E	60.8	Low	71.6	Confident	136 Å²	136	79.7 Å²	79.7	64%	0.636	41%	0.41	S	S	*	.			trans	-67.9	153.6	167.9	-69.8	-63.3	132.6	0	0	109.8	D178 E179	E176-D178 PolarHBondContact O-N 2.95Å; E176-E179 HydrophobicContact CB-CB 4.5Å; E176-E179 PolarHBondContact O-N 2.96Å
177	P	59	Low	71.8	Confident	123 Å²	123	78.3 Å²	78.3	80%	0.799	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.7	-172.9	-24.4	33.1	0	0	0	115.6
178	D	62.3	Low	72	Confident	166 Å²	166	78.4 Å²	78.4	89%	0.888	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	4.6	-178.7	-66.6	-43.6	0	0	0	113.3	E176	E176-D178 PolarHBondContact O-N 2.95Å
179	E	61.8	Low	72.5	Confident	86 Å²	86	79.3 Å²	79.3	40%	0.402	41%	0.407	S	S	.	.			trans	-88.2	118.5	-177.5	-155.2	-173.1	160.5	0	0	111.4	R172 E176	R172-E179 IonicContact CZ-OE1 3.66Å; R172-E179 IonicContact NH1-OE1 3.72Å; R172-E179 PolarHBondContact NH1-OE1 2.86Å; E176-E179 HydrophobicContact CB-CB 4.5Å; E176-E179 PolarHBondContact O-N 2.96Å
180	F	65.6	Low	73	Confident	168 Å²	168	77.3 Å²	77.3	74%	0.737	39%	0.39	S	S	*	.			trans	-86.9	131	176.3	-171.6	-98.2	0	0	0	110.7	E182	F180-E182 PolarHBondContact O-N 2.94Å; F180-E182 VanDerWaalsContact O-N 3.12Å
181	Y	71.7	Confident	73.6	Confident	27 Å²	27	77.7 Å²	77.7	11%	0.106	39%	0.386	C	S	.	.			trans	-75.8	102.8	171.7	-167.3	-114.4	0	0	0	110.2	M164 V167 A168 M175 G183 I184 N188	M164-Y181 HydrophobicContact CG-CD1 3.94Å; M164-Y181 HydrophobicContact CG-CE1 4.04Å; M164-Y181 HydrophobicContact SD-CD1 4Å; M164-Y181 HydrophobicContact SD-CE1 3.52Å; M164-Y181 VanDerWaalsContact SD-CE1 3.52Å; V167-Y181 WeakPolarHBondContact CG1-OH 3.34Å; A168-Y181 HydrophobicContact CB-CD1 4.25Å; A168-Y181 HydrophobicContact CB-CD2 3.82Å; A168-Y181 HydrophobicContact CB-CE1 4.43Å; A168-Y181 HydrophobicContact CB-CE2 3.95Å; A168-Y181 HydrophobicContact CB-CG 3.92Å; M175-Y181 HydrophobicContact CE-CD2 3.24Å; M175-Y181 HydrophobicContact CE-CE2 4.13Å; M175-Y181 HydrophobicContact CE-CG 3.81Å; Y181-G183 WeakPolarHBondContact CE1-O 3.43Å; Y181-G183 PolarHBondContact O-N 3.28Å; Y181-G183 PolarHBondContact OH-O 3.02Å; Y181-I184 HydrophobicContact CE1-CG1 4.22Å; Y181-N188 PolarHBondContact OH-ND2 2.94Å; Y181-N188 VanDerWaalsContact OH-ND2 3.12Å
182	E	72.5	Confident	74.4	Confident	133 Å²	133	79.4 Å²	79.4	62%	0.621	39%	0.393	S	S	*	.			trans	-62.3	-32.2	-178.9	-163.4	168.6	-162.3	0	0	112.4	F180	F180-E182 PolarHBondContact O-N 2.94Å; F180-E182 VanDerWaalsContact O-N 3.12Å
183	G	83.4	Confident	75.4	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.01	39%	0.386	C	S	.	.			trans	145	-171.5	173.7	0	0	0	0	0	113.1	I132 Y181 T185	I132-G183 CarbonylContact O-C 3.39Å; I132-G183 WeakPolarHBondContact O-CA 3.47Å; Y181-G183 WeakPolarHBondContact CE1-O 3.43Å; Y181-G183 PolarHBondContact O-N 3.28Å; Y181-G183 PolarHBondContact OH-O 3.02Å; G183-T185 PolarHBondContact O-N 3.35Å
184	I	86	Confident	76.4	Confident	7 Å²	7	82.6 Å²	82.6	4%	0.036	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	108.3	-178	-50.6	179.1	0	0	0	108.6	F121 I132 M164 V167 Y181 N188 F189 I192	F121-I184 WeakPolarHBondContact CE2-O 3.39Å; I132-I184 HydrophobicContact CB-CB 4.26Å; I132-I184 PolarHBondContact N-O 3.38Å; I132-I184 PolarHBondContact O-N 3.12Å; M164-I184 HydrophobicContact CE-CD1 3.9Å; M164-I184 HydrophobicContact CE-CG1 3.95Å; M164-I184 HydrophobicContact SD-CD1 3.67Å; M164-I184 HydrophobicContact SD-CG1 3.5Å; M164-I184 VanDerWaalsContact SD-CG1 3.5Å; V167-I184 HydrophobicContact CG1-CD1 4.19Å; V167-I184 HydrophobicContact CG1-CG1 4.05Å; Y181-I184 HydrophobicContact CE1-CG1 4.22Å; I184-N188 HydrophobicContact CG2-CB 3.73Å; I184-F189 HydrophobicContact CG2-CB 4.15Å; I184-F189 HydrophobicContact CG2-CD2 4.38Å; I184-I192 HydrophobicContact CD1-CD1 4.35Å; I184-I192 HydrophobicContact CG2-CD1 3.78Å
185	T	89.1	Confident	77.8	Confident	46 Å²	46	79 Å²	79	28%	0.282	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	165.6	170.5	67.6	0	0	0	0	111.1	G183 E187 N188 F189	G183-T185 PolarHBondContact O-N 3.35Å; T185-E187 VanDerWaalsContact C-N 3.27Å; T185-E187 PolarHBondContact O-N 3.29Å; T185-N188 WeakPolarHBondContact O-CB 3.4Å; T185-N188 PolarHBondContact O-N 3.44Å; T185-N188 VanDerWaalsContact O-N 3.14Å; T185-N188 VanDerWaalsContact OG1-CG 3.27Å; T185-N188 PolarHBondContact OG1-N 2.96Å; T185-N188 PolarHBondContact OG1-ND2 3.17Å; T185-N188 PolarHBondContact OG1-OD1 3.4Å; T185-F189 PolarHBondContact O-N 3.41Å
186	F	88.6	Confident	79	Confident	30 Å²	30	79.6 Å²	79.6	13%	0.132	40%	0.397	C	S	.	.	H	α-helix	trans	-58.3	-37.1	176.9	-176.1	-116	0	0	0	113.4	R114 L117 R118 F121 F189 L190	R114-F186 HydrophobicContact CG-CE1 3.86Å; R114-F186 HydrophobicContact CG-CZ 3.85Å; L117-F186 HydrophobicContact CB-CE2 4.23Å; R118-F186 VanDerWaalsContact CA-CE2 3.48Å; R118-F186 HydrophobicContact CB-CE2 3.97Å; R118-F186 HydrophobicContact CB-CZ 3.94Å; F121-F186 HydrophobicContact CB-CD2 3.93Å; F121-F186 HydrophobicContact CB-CE2 4.27Å; F121-F186 HydrophobicContact CD1-CD2 4.37Å; F121-F186 HydrophobicContact CD2-CB 4.44Å; F121-F186 HydrophobicContact CD2-CD2 4.03Å; F121-F186 HydrophobicContact CE2-CB 4.33Å; F121-F186 AromaticContact CG-CD2 3.84Å; F121-F186 HydrophobicContact CG-CD2 3.84Å; F121-F186 HydrophobicContact CZ-CB 4.43Å; F186-F189 WeakPolarHBondContact O-CB 3.15Å; F186-F189 PolarHBondContact O-N 2.65Å; F186-L190 HydrophobicContact CD1-CD1 4.17Å; F186-L190 HydrophobicContact CD1-CG 4.42Å; F186-L190 HydrophobicContact CE1-CD1 3.73Å; F186-L190 HydrophobicContact CE1-CD2 4.27Å; F186-L190 HydrophobicContact CE1-CG 4.03Å; F186-L190 HydrophobicContact CE2-CD2 4.27Å; F186-L190 HydrophobicContact CE2-CG 4.39Å; F186-L190 HydrophobicContact CZ-CD1 4.16Å; F186-L190 HydrophobicContact CZ-CD2 3.83Å; F186-L190 HydrophobicContact CZ-CG 4.01Å; F186-L190 WeakPolarHBondContact O-CG 3.37Å; F186-L190 PolarHBondContact O-N 2.88Å
187	E	86.8	Confident	80.2	Confident	109 Å²	109	76.9 Å²	76.9	51%	0.509	39%	0.387	S	S	.	.	H	α-helix	trans	-69	-38.1	177.1	-66	-60.6	147.5	0	0	111.7	R114 T185 F189 L190 Q191	R114-E187 IonicContact NH1-OE1 3.13Å; R114-E187 PolarHBondContact NH1-OE1 3.22Å; R114-E187 VanDerWaalsContact NH1-OE1 3.13Å; T185-E187 VanDerWaalsContact C-N 3.27Å; T185-E187 PolarHBondContact O-N 3.29Å; E187-F189 VanDerWaalsContact C-N 3.3Å; E187-F189 PolarHBondContact O-N 3.01Å; E187-L190 PolarHBondContact O-N 3.12Å; E187-Q191 PolarHBondContact O-N 3.5Å
188	N	86.4	Confident	81.5	Confident	20 Å²	20	71.8 Å²	71.8	11%	0.107	35%	0.353	C	S	.	.	H	α-helix	trans	-59.2	-44.9	170.2	-67.6	-7.3	0	0	0	110.3	T171 Y181 I184 T185 L190 Q191 I192	T171-N188 WeakPolarHBondContact CB-OD1 3.44Å; T171-N188 HydrophobicContact CG2-CB 3.77Å; Y181-N188 PolarHBondContact OH-ND2 2.94Å; Y181-N188 VanDerWaalsContact OH-ND2 3.12Å; I184-N188 HydrophobicContact CG2-CB 3.73Å; T185-N188 WeakPolarHBondContact O-CB 3.4Å; T185-N188 PolarHBondContact O-N 3.44Å; T185-N188 VanDerWaalsContact O-N 3.14Å; T185-N188 VanDerWaalsContact OG1-CG 3.27Å; T185-N188 PolarHBondContact OG1-N 2.96Å; T185-N188 PolarHBondContact OG1-ND2 3.17Å; T185-N188 PolarHBondContact OG1-OD1 3.4Å; N188-L190 PolarHBondContact O-N 3.32Å; N188-Q191 PolarHBondContact O-N 3.47Å; N188-Q191 VanDerWaalsContact O-N 3.13Å; N188-I192 VanDerWaalsContact O-CD1 3.3Å; N188-I192 WeakPolarHBondContact O-CD1 3.28Å; N188-I192 WeakPolarHBondContact O-CG1 3.42Å; N188-I192 PolarHBondContact O-N 2.78Å
189	F	87.7	Confident	82.3	Confident	23 Å²	23	64 Å²	64	10%	0.101	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-42.1	179	-164	-103.5	0	0	0	112.6	L117 V120 F121 I132 I184 T185 F186 E187 Q191 L193	L117-F189 HydrophobicContact CB-CD1 4.32Å; L117-F189 HydrophobicContact CB-CE1 4.26Å; L117-F189 HydrophobicContact CD2-CD1 4.37Å; L117-F189 HydrophobicContact CD2-CE1 3.87Å; V120-F189 HydrophobicContact CB-CE1 4.46Å; V120-F189 HydrophobicContact CB-CZ 4.46Å; V120-F189 HydrophobicContact CG1-CE1 4.39Å; V120-F189 HydrophobicContact CG1-CZ 3.91Å; F121-F189 HydrophobicContact CB-CD1 4.32Å; F121-F189 HydrophobicContact CB-CE1 4.41Å; F121-F189 HydrophobicContact CD2-CB 3.95Å; F121-F189 HydrophobicContact CD2-CD1 4.28Å; F121-F189 HydrophobicContact CD2-CD2 4.28Å; F121-F189 AromaticContact CD2-CG 3.94Å; F121-F189 HydrophobicContact CD2-CG 3.94Å; F121-F189 HydrophobicContact CE2-CB 4.39Å; I132-F189 HydrophobicContact CD1-CD2 4.28Å; I132-F189 HydrophobicContact CD1-CE2 4.37Å; I184-F189 HydrophobicContact CG2-CB 4.15Å; I184-F189 HydrophobicContact CG2-CD2 4.38Å; T185-F189 PolarHBondContact O-N 3.41Å; F186-F189 WeakPolarHBondContact O-CB 3.15Å; F186-F189 PolarHBondContact O-N 2.65Å; E187-F189 VanDerWaalsContact C-N 3.3Å; E187-F189 PolarHBondContact O-N 3.01Å; F189-Q191 VanDerWaalsContact C-N 3.34Å; F189-Q191 PolarHBondContact O-N 3.35Å; F189-L193 HydrophobicContact CD1-CD1 4.03Å; F189-L193 HydrophobicContact CD2-CD1 4.46Å; F189-L193 HydrophobicContact CE1-CD1 3.47Å; F189-L193 VanDerWaalsContact CE1-CD1 3.47Å; F189-L193 HydrophobicContact CE2-CD1 3.95Å; F189-L193 HydrophobicContact CG-CD1 4.49Å; F189-L193 HydrophobicContact CZ-CD1 3.42Å; F189-L193 VanDerWaalsContact CZ-CD1 3.42Å; F189-L193 PolarHBondContact O-N 3.43Å; F189-L193 VanDerWaalsContact O-N 3.12Å
190	L	87.8	Confident	83.2	Confident	27 Å²	27	63.1 Å²	63.1	14%	0.141	31%	0.312	C	S	.	.	H	α-helix	trans	-61.6	-41.4	173.8	-71	-179.8	0	0	0	112	L117 F186 E187 N188 K194	L117-L190 HydrophobicContact CB-CD2 4.03Å; L117-L190 HydrophobicContact CD1-CD2 3.45Å; L117-L190 VanDerWaalsContact CD1-CD2 3.45Å; L117-L190 HydrophobicContact CG-CD2 4.36Å; F186-L190 HydrophobicContact CD1-CD1 4.17Å; F186-L190 HydrophobicContact CD1-CG 4.42Å; F186-L190 HydrophobicContact CE1-CD1 3.73Å; F186-L190 HydrophobicContact CE1-CD2 4.27Å; F186-L190 HydrophobicContact CE1-CG 4.03Å; F186-L190 HydrophobicContact CE2-CD2 4.27Å; F186-L190 HydrophobicContact CE2-CG 4.39Å; F186-L190 HydrophobicContact CZ-CD1 4.16Å; F186-L190 HydrophobicContact CZ-CD2 3.83Å; F186-L190 HydrophobicContact CZ-CG 4.01Å; F186-L190 WeakPolarHBondContact O-CG 3.37Å; F186-L190 PolarHBondContact O-N 2.88Å; E187-L190 PolarHBondContact O-N 3.12Å; N188-L190 PolarHBondContact O-N 3.32Å; L190-K194 PolarHBondContact O-N 2.85Å; L190-K194 VanDerWaalsContact O-N 3.13Å
191	Q	85.9	Confident	84.1	Confident	100 Å²	100	63.2 Å²	63.2	47%	0.467	31%	0.307	S	S	.	.	H	α-helix	trans	-68.4	-45.6	179.8	-173.8	176	-9.1	0	0	111.9	E187 N188 F189 L193 K194	E187-Q191 PolarHBondContact O-N 3.5Å; N188-Q191 PolarHBondContact O-N 3.47Å; N188-Q191 VanDerWaalsContact O-N 3.13Å; F189-Q191 VanDerWaalsContact C-N 3.34Å; F189-Q191 PolarHBondContact O-N 3.35Å; Q191-L193 VanDerWaalsContact C-N 3.31Å; Q191-L193 PolarHBondContact O-N 3.44Å; Q191-K194 VanDerWaalsContact O-CB 3.28Å; Q191-K194 WeakPolarHBondContact O-CB 3.39Å; Q191-K194 PolarHBondContact O-N 2.9Å
192	I	85.2	Confident	84.8	Confident	63 Å²	63	62.9 Å²	62.9	32%	0.323	31%	0.307	S	S	.	.	H	α-helix	trans	-59.5	-45.1	179.2	-64.6	156.6	0	0	0	110.4	V167 I184 N188 K194	V167-I192 HydrophobicContact CB-CD1 4.16Å; V167-I192 HydrophobicContact CG1-CD1 3.32Å; V167-I192 HydrophobicContact CG1-CG1 4Å; V167-I192 HydrophobicContact CG2-CD1 3.7Å; V167-I192 HydrophobicContact CG2-CG1 4.06Å; I184-I192 HydrophobicContact CD1-CD1 4.35Å; I184-I192 HydrophobicContact CG2-CD1 3.78Å; N188-I192 VanDerWaalsContact O-CD1 3.3Å; N188-I192 WeakPolarHBondContact O-CD1 3.28Å; N188-I192 WeakPolarHBondContact O-CG1 3.42Å; N188-I192 PolarHBondContact O-N 2.78Å; I192-K194 VanDerWaalsContact C-N 3.32Å; I192-K194 PolarHBondContact O-N 3.13Å
193	L	86	Confident	85.3	Confident	44 Å²	44	59.4 Å²	59.4	23%	0.23	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	9	-176.3	-67.5	176.4	0	0	0	113.4	R113 L117 F189 Q191 T195 F196	R113-L193 PolarHBondContact NH2-O 3.23Å; L117-L193 HydrophobicContact CD2-CB 4.25Å; L117-L193 HydrophobicContact CD2-CD1 3.6Å; F189-L193 HydrophobicContact CD1-CD1 4.03Å; F189-L193 HydrophobicContact CD2-CD1 4.46Å; F189-L193 HydrophobicContact CE1-CD1 3.47Å; F189-L193 VanDerWaalsContact CE1-CD1 3.47Å; F189-L193 HydrophobicContact CE2-CD1 3.95Å; F189-L193 HydrophobicContact CG-CD1 4.49Å; F189-L193 HydrophobicContact CZ-CD1 3.42Å; F189-L193 VanDerWaalsContact CZ-CD1 3.42Å; F189-L193 PolarHBondContact O-N 3.43Å; F189-L193 VanDerWaalsContact O-N 3.12Å; Q191-L193 VanDerWaalsContact C-N 3.31Å; Q191-L193 PolarHBondContact O-N 3.44Å; L193-T195 PolarHBondContact O-N 2.9Å; L193-F196 HydrophobicContact CB-CB 4.37Å; L193-F196 HydrophobicContact CD2-CB 4.18Å; L193-F196 HydrophobicContact CD2-CG 4.48Å; L193-F196 WeakPolarHBondContact O-CB 3.36Å; L193-F196 PolarHBondContact O-N 3.14Å
194	K	84.5	Confident	85.1	Confident	160 Å²	160	62.1 Å²	62.1	70%	0.696	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-36.2	-174.6	-174.1	176.2	-179.5	178.2	0	113.9	R113 L190 Q191 I192	R113-K194 PolarHBondContact NH2-O 3.21Å; L190-K194 PolarHBondContact O-N 2.85Å; L190-K194 VanDerWaalsContact O-N 3.13Å; Q191-K194 VanDerWaalsContact O-CB 3.28Å; Q191-K194 WeakPolarHBondContact O-CB 3.39Å; Q191-K194 PolarHBondContact O-N 2.9Å; I192-K194 VanDerWaalsContact C-N 3.32Å; I192-K194 PolarHBondContact O-N 3.13Å
195	T	83.1	Confident	84.3	Confident	131 Å²	131	71.2 Å²	71.2	80%	0.804	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.8	-179.9	56.4	0	0	0	0	114	L193	L193-T195 PolarHBondContact O-N 2.9Å
196	F	85.8	Confident	83	Confident	71 Å²	71	70.2 Å²	70.2	31%	0.311	33%	0.332	S	S	.	.	S	Bend	trans	-94.1	116.3	-177.1	-174.9	-95.5	0	0	0	111.1	R113 L193 I198 R201	R113-F196 PolarHBondContact NH1-O 3.05Å; R113-F196 PolarHBondContact NH2-O 3.33Å; L193-F196 HydrophobicContact CB-CB 4.37Å; L193-F196 HydrophobicContact CD2-CB 4.18Å; L193-F196 HydrophobicContact CD2-CG 4.48Å; L193-F196 WeakPolarHBondContact O-CB 3.36Å; L193-F196 PolarHBondContact O-N 3.14Å; F196-I198 HydrophobicContact CD1-CB 3.93Å; F196-I198 HydrophobicContact CD1-CD1 4.26Å; F196-I198 HydrophobicContact CE1-CB 4.1Å; F196-I198 HydrophobicContact CE1-CD1 3.69Å; F196-I198 PolarHBondContact O-N 3.26Å; F196-R201 HydrophobicContact CE1-CB 4.47Å; F196-R201 HydrophobicContact CZ-CB 4.39Å; F196-R201 VanDerWaalsContact CZ-CD 3.41Å; F196-R201 HydrophobicContact CZ-CG 4.49Å
197	D	84.7	Confident	80.9	Confident	80 Å²	80	76 Å²	76	43%	0.428	36%	0.364	S	S	.	.			trans	-76.3	66.2	-178.7	-57.9	-40.3	0	0	0	113	E199 T200 R201	D197-E199 WeakPolarHBondContact CA-OE2 3.46Å; D197-E199 PolarHBondContact O-N 3.28Å; D197-T200 PolarHBondContact O-N 2.95Å; D197-T200 PolarHBondContact O-OG1 3.44Å; D197-R201 PolarHBondContact O-N 2.89Å
198	I	85.9	Confident	78.7	Confident	15 Å²	15	77 Å²	77	8%	0.077	37%	0.373	C	S	.	.	H	α-helix	trans	-56.1	-32.5	179.8	-170.2	66	0	0	0	112.6	R113 K116 L117 F196 T200 R201 M202	R113-I198 HydrophobicContact CB-CG2 4.43Å; R113-I198 HydrophobicContact CG-CG2 3.8Å; K116-I198 HydrophobicContact CB-CG1 4.12Å; L117-I198 HydrophobicContact CD1-CG2 4.27Å; L117-I198 HydrophobicContact CD2-CB 4.14Å; L117-I198 HydrophobicContact CD2-CG1 4.06Å; L117-I198 HydrophobicContact CD2-CG2 4.02Å; L117-I198 HydrophobicContact CG-CG2 3.89Å; F196-I198 HydrophobicContact CD1-CB 3.93Å; F196-I198 HydrophobicContact CD1-CD1 4.26Å; F196-I198 HydrophobicContact CE1-CB 4.1Å; F196-I198 HydrophobicContact CE1-CD1 3.69Å; F196-I198 PolarHBondContact O-N 3.26Å; I198-T200 PolarHBondContact O-N 3.13Å; I198-R201 PolarHBondContact O-N 2.97Å; I198-M202 HydrophobicContact CD1-CB 3.73Å; I198-M202 HydrophobicContact CD1-SD 4.17Å; I198-M202 HydrophobicContact CG1-CB 4.03Å; I198-M202 HydrophobicContact CG1-SD 4.29Å; I198-M202 WeakPolarHBondContact O-CB 3.45Å; I198-M202 PolarHBondContact O-N 3.28Å
199	E	80.7	Confident	76.6	Confident	4 Å²	4	81.4 Å²	81.4	2%	0.019	39%	0.394	C	S	.	.	H	α-helix	trans	-65.1	-31.3	-176.6	72.1	-77	-177.7	0	0	112.4	R109 R113 K116 D197	R109-E199 HydrophobicContact CG-CG 4.22Å; R109-E199 IonicContact CZ-OE1 2.96Å; R109-E199 IonicContact NE-OE1 2.99Å; R109-E199 PolarHBondContact NE-OE1 3.46Å; R109-E199 IonicContact NH2-OE1 3.99Å; R109-E199 PolarHBondContact NH2-OE1 3.37Å; R113-E199 IonicContact NH1-OE2 3.4Å; R113-E199 PolarHBondContact NH1-OE2 3.47Å; R113-E199 VanDerWaalsContact NH1-OE2 3.09Å; K116-E199 PolarHBondContact NZ-O 3.43Å; D197-E199 WeakPolarHBondContact CA-OE2 3.46Å; D197-E199 PolarHBondContact O-N 3.28Å
200	T	80.4	Confident	74	Confident	67 Å²	67	86.1 Å²	86.1	41%	0.411	42%	0.42	S	S	.	.	H	α-helix	trans	-89.6	-27.8	177	69.1	0	0	0	0	112.5	D197 I198 H203	D197-T200 PolarHBondContact O-N 2.95Å; D197-T200 PolarHBondContact O-OG1 3.44Å; I198-T200 PolarHBondContact O-N 3.13Å; T200-H203 PolarHBondContact O-CE1 3.43Å; T200-H203 VanDerWaalsContact O-CE1 3.23Å; T200-H203 PolarHBondContact O-ND1 3.4Å
201	R	83.8	Confident	71.8	Confident	170 Å²	170	91.3 Å²	91.3	64%	0.642	45%	0.453	S	S	*	.	H	α-helix	trans	-90.5	-36.4	-175.4	-67.8	-173.8	178.4	-148.9	4.9	113.9	F196 D197 I198 H203	F196-R201 HydrophobicContact CE1-CB 4.47Å; F196-R201 HydrophobicContact CZ-CB 4.39Å; F196-R201 VanDerWaalsContact CZ-CD 3.41Å; F196-R201 HydrophobicContact CZ-CG 4.49Å; D197-R201 PolarHBondContact O-N 2.89Å; I198-R201 PolarHBondContact O-N 2.97Å; R201-H203 VanDerWaalsContact C-N 3.34Å; R201-H203 PolarHBondContact O-N 3.5Å; R201-H203 VanDerWaalsContact O-N 3.13Å
202	M	85.9	Confident	69.3	Low	19 Å²	19	90.3 Å²	90.3	9%	0.094	46%	0.462	C	S	.	.	S	Bend	trans	-88.9	73.2	179.3	-174.1	-177.4	170.7	0	0	109.9	H96 F97 K116 F119 V120 I198	H96-M202 HydrophobicContact CB-CE 4.39Å; F97-M202 HydrophobicContact CD1-CE 3.91Å; F97-M202 HydrophobicContact CD1-CG 3.92Å; F97-M202 HydrophobicContact CE1-CE 3.44Å; F97-M202 VanDerWaalsContact CE1-CE 3.44Å; F97-M202 HydrophobicContact CE1-CG 4.03Å; F97-M202 HydrophobicContact CE2-CE 4.44Å; F97-M202 HydrophobicContact CZ-CE 3.76Å; K116-M202 HydrophobicContact CB-SD 3.85Å; K116-M202 HydrophobicContact CD-CB 4.31Å; K116-M202 HydrophobicContact CD-SD 4.47Å; K116-M202 HydrophobicContact CG-SD 4.16Å; K116-M202 PolarHBondContact NZ-O 3.26Å; F119-M202 HydrophobicContact CB-CE 4.28Å; F119-M202 HydrophobicContact CD1-CE 3.28Å; F119-M202 HydrophobicContact CE1-CE 3.86Å; F119-M202 HydrophobicContact CG-CE 3.99Å; V120-M202 HydrophobicContact CG2-CE 4.23Å; V120-M202 HydrophobicContact CG2-SD 3.77Å; I198-M202 HydrophobicContact CD1-CB 3.73Å; I198-M202 HydrophobicContact CD1-SD 4.17Å; I198-M202 HydrophobicContact CG1-CB 4.03Å; I198-M202 HydrophobicContact CG1-SD 4.29Å; I198-M202 WeakPolarHBondContact O-CB 3.45Å; I198-M202 PolarHBondContact O-N 3.28Å
203	H	82.7	Confident	66.9	Low	61 Å²	61	93.9 Å²	93.9	28%	0.282	49%	0.487	S	S	.	.			trans	-138.5	148.1	171.9	73.2	-83.2	0	0	0	111.6	F97 P99 T200 R201	F97-H203 CarbonylContact O-C 3.58Å; F97-H203 WeakPolarHBondContact O-CA 3.18Å; P99-H203 HydrophobicContact CB-CB 4.22Å; T200-H203 PolarHBondContact O-CE1 3.43Å; T200-H203 VanDerWaalsContact O-CE1 3.23Å; T200-H203 PolarHBondContact O-ND1 3.4Å; R201-H203 VanDerWaalsContact C-N 3.34Å; R201-H203 PolarHBondContact O-N 3.5Å; R201-H203 VanDerWaalsContact O-N 3.13Å
204	V	80.4	Confident	64.6	Low	58 Å²	58	98.1 Å²	98.1	35%	0.352	51%	0.507	S	S	.	.			trans	-103.2	127	168.7	173.1	0	0	0	0	108	F97 F206	F97-V204 HydrophobicContact CB-CB 4.28Å; F97-V204 HydrophobicContact CB-CG2 3.92Å; F97-V204 HydrophobicContact CD1-CG2 4.37Å; F97-V204 HydrophobicContact CG-CG2 4.3Å; F97-V204 PolarHBondContact O-N 2.72Å; V204-F206 HydrophobicContact CB-CE1 4Å; V204-F206 HydrophobicContact CB-CE2 4.03Å; V204-F206 HydrophobicContact CB-CZ 3.7Å; V204-F206 HydrophobicContact CG1-CD1 3.93Å; V204-F206 HydrophobicContact CG1-CE1 3.63Å; V204-F206 HydrophobicContact CG1-CE2 4.38Å; V204-F206 HydrophobicContact CG1-CG 4.43Å; V204-F206 HydrophobicContact CG1-CZ 3.88Å; V204-F206 WeakPolarHBondContact O-CD2 3.45Å; V204-F206 WeakPolarHBondContact O-CE2 3.48Å; V204-F206 PolarHBondContact O-N 2.99Å; V204-F206 VanDerWaalsContact O-N 3.08Å
205	R	68.4	Low	62	Low	197 Å²	197	101.4 Å²	101.4	74%	0.743	52%	0.515	S	S	*	.			trans	-78	93.8	172.3	-67.8	-173.7	-179.2	-175	-0.8	109	L207	R205-L207 PolarHBondContact O-N 3.2Å
206	F	62.5	Low	59.8	Low	25 Å²	25	101.2 Å²	101.2	11%	0.11	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-69.3	-7.4	174.2	-58.2	-72.7	0	0	0	113.4	F22 L30 M94 V204 N208	F22-F206 HydrophobicContact CE1-CD2 4.1Å; F22-F206 AromaticContact CE1-CE2 3.71Å; F22-F206 HydrophobicContact CE1-CE2 3.71Å; F22-F206 HydrophobicContact CE1-CZ 4.13Å; F22-F206 HydrophobicContact CZ-CE2 4.19Å; F22-F206 HydrophobicContact CZ-CZ 4.24Å; L30-F206 HydrophobicContact CD2-CD1 4.19Å; L30-F206 HydrophobicContact CD2-CE1 3.88Å; M94-F206 HydrophobicContact CE-CE1 3.45Å; M94-F206 VanDerWaalsContact CE-CE1 3.45Å; M94-F206 HydrophobicContact CE-CZ 3.71Å; V204-F206 HydrophobicContact CB-CE1 4Å; V204-F206 HydrophobicContact CB-CE2 4.03Å; V204-F206 HydrophobicContact CB-CZ 3.7Å; V204-F206 HydrophobicContact CG1-CD1 3.93Å; V204-F206 HydrophobicContact CG1-CE1 3.63Å; V204-F206 HydrophobicContact CG1-CE2 4.38Å; V204-F206 HydrophobicContact CG1-CG 4.43Å; V204-F206 HydrophobicContact CG1-CZ 3.88Å; V204-F206 WeakPolarHBondContact O-CD2 3.45Å; V204-F206 WeakPolarHBondContact O-CE2 3.48Å; V204-F206 PolarHBondContact O-N 2.99Å; V204-F206 VanDerWaalsContact O-N 3.08Å; F206-N208 VanDerWaalsContact C-N 3.25Å; F206-N208 PolarHBondContact O-N 2.99Å
207	L	44.1	Very low	57.4	Low	151 Å²	151	101.1 Å²	101.1	79%	0.791	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-65.5	-16.6	-173.3	-78.6	160.2	0	0	0	115	R205	R205-L207 PolarHBondContact O-N 3.2Å
208	N	41.3	Very low	54.9	Low	132 Å²	132	110.9 Å²	110.9	71%	0.706	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-123.7	44.9	-179.4	-70.3	12.1	0	0	0	112.6	F206 D210	F206-N208 VanDerWaalsContact C-N 3.25Å; F206-N208 PolarHBondContact O-N 2.99Å; N208-D210 PolarHBondContact O-N 2.97Å; N208-D210 VanDerWaalsContact O-N 3.16Å
209	M	42.4	Very low	53.4	Low	112 Å²	112	115.7 Å²	115.7	55%	0.552	60%	0.6	S	S	*	*			trans	-81.9	43.4	158.6	-74.2	-73.6	160.6	0	0	110.4	T211	M209-T211 PolarHBondContact O-N 3.44Å
210	D	33.3	Very low	51.9	Low	122 Å²	122	121.5 Å²	121.5	65%	0.652	63%	0.631	S	S	*	*			trans	-62.4	124.2	158.8	-87.3	-38.6	0	0	0	106.8	N208 A212	N208-D210 PolarHBondContact O-N 2.97Å; N208-D210 VanDerWaalsContact O-N 3.16Å; D210-A212 PolarHBondContact O-N 3.39Å
211	T	40.4	Very low	50.4	Low	136 Å²	136	124.6 Å²	124.6	83%	0.834	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	24.7	-179	45.2	0	0	0	0	114	M209	M209-T211 PolarHBondContact O-N 3.44Å
212	A	34.5	Very low	48.4	Very low	78 Å²	78	121.9 Å²	121.9	65%	0.645	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-8.5	-169.5	0	0	0	0	0	115.5	D210	D210-A212 PolarHBondContact O-N 3.39Å
213	T	34.4	Very low	46	Very low	138 Å²	138	128.3 Å²	128.3	85%	0.847	68%	0.678	S	S	*	*	S	Bend	trans	-100.7	4.9	175.8	28	0	0	0	0	115.3	R215	T213-R215 PolarHBondContact O-N 3.31Å
214	M	36.4	Very low	43.6	Very low	133 Å²	133	132.8 Å²	132.8	66%	0.655	70%	0.704	S	S	*	*			trans	-79.2	58.8	157.7	-69	-143	-159.8	0	0	110.9	Q36	Q36-M214 VanDerWaalsContact OE1-CE 3.26Å
215	R	31.6	Very low	41	Very low	230 Å²	230	138.1 Å²	138.1	87%	0.868	73%	0.729	S	S	*	*			trans	-97.3	94	152.2	-83.1	-167.2	-175.9	-172.4	3.6	107	T213 G217	T213-R215 PolarHBondContact O-N 3.31Å; R215-G217 PolarHBondContact O-N 3.13Å; R215-G217 VanDerWaalsContact O-N 3.12Å
216	C	35.4	Very low	38.9	Very low	127 Å²	127	133.6 Å²	133.6	86%	0.858	73%	0.728	S	S	*	*			trans	-51	114.8	157.6	-160.8	0	0	0	0	106.9	K218	C216-K218 PolarHBondContact O-N 3Å
217	G	36.3	Very low	36.9	Very low	69 Å²	69	142.7 Å²	142.7	71%	0.711	78%	0.779	S	S	*	*			trans	-59.6	132.8	169.9	0	0	0	0	0	108.4	R215	R215-G217 PolarHBondContact O-N 3.13Å; R215-G217 VanDerWaalsContact O-N 3.12Å
218	K	32.4	Very low	36.2	Very low	284 Å²	284	141.9 Å²	141.9	100%	1.235	78%	0.778	S	S	*	*			trans	-57	0	174.2	-76.9	176.4	171.6	176.6	0	112	C216	C216-K218 PolarHBondContact O-N 3Å

Retrieved 218 of 218 residues in 68.5 ms (Link to these results)

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