A0A096N442_PAPAN Loading...

Centrin-3

As a component of the TREX-2 complex, involved in the export of mRNAs to the cytoplasm through the nuclear pores. Plays a fundamental role in microtubule-organizing center structure and function.

AlphaFold DB (O15182), UniProt , Accession A0A096N442, Species PAPAN (Papio anubis, Olive baboon), Gene CETN3, Length 167 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	51	Low	51.3	Low	188 Å²	188	107.5 Å²	107.5	93%	0.926	58%	0.579	S	S	*	*				0	118.3	0	-154.5	-177	-88.6	0	0	107.1	L5	M1-L5 HydrophobicContact CG-CB 4.36Å; M1-L5 HydrophobicContact CG-CD2 3.68Å
2	S	58.9	Low	51.5	Low	71 Å²	71	104.7 Å²	104.7	50%	0.497	56%	0.563	S	S	.	*			trans	-77.2	158.7	-173.3	61	0	0	0	0	112	A4 L5 R6	S2-A4 PolarHBondContact O-N 2.97Å; S2-L5 PolarHBondContact O-N 3.12Å; S2-L5 VanDerWaalsContact O-N 3.16Å; S2-L5 PolarHBondContact OG-N 3.22Å; S2-R6 PolarHBondContact O-N 2.81Å
3	L	51.9	Low	51.7	Low	153 Å²	153	103.6 Å²	103.6	80%	0.801	55%	0.55	S	S	*	*	H	α-helix	trans	-55.3	-37.6	172.5	-80.3	164.9	0	0	0	112	L5 R6 S7	L3-L5 PolarHBondContact O-N 2.7Å; L3-R6 PolarHBondContact O-N 2.88Å; L3-S7 PolarHBondContact O-N 3.19Å; L3-S7 PolarHBondContact O-OG 3.34Å
4	A	54.9	Low	51.8	Low	55 Å²	55	101.2 Å²	101.2	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-59.8	-43.1	176.8	0	0	0	0	0	112.5	S2 R6 S7 E8	S2-A4 PolarHBondContact O-N 2.97Å; A4-R6 VanDerWaalsContact C-N 3.34Å; A4-R6 PolarHBondContact O-N 3.08Å; A4-S7 WeakPolarHBondContact CA-OG 3.26Å; A4-S7 PolarHBondContact O-N 2.91Å; A4-S7 PolarHBondContact O-OG 3.25Å; A4-E8 WeakPolarHBondContact O-CG 3.42Å; A4-E8 PolarHBondContact O-N 2.99Å
5	L	48.5	Very low	51.6	Low	88 Å²	88	103.7 Å²	103.7	46%	0.461	55%	0.545	S	S	.	.	H	α-helix	trans	-67.2	-35.5	178.7	-148.4	81.8	0	0	0	111.9	M1 S2 L3 L9	M1-L5 HydrophobicContact CG-CB 4.36Å; M1-L5 HydrophobicContact CG-CD2 3.68Å; S2-L5 PolarHBondContact O-N 3.12Å; S2-L5 VanDerWaalsContact O-N 3.16Å; S2-L5 PolarHBondContact OG-N 3.22Å; L3-L5 PolarHBondContact O-N 2.7Å; L5-L9 WeakPolarHBondContact O-CB 3.32Å; L5-L9 PolarHBondContact O-N 2.91Å
6	R	45.8	Very low	51.6	Low	165 Å²	165	108.1 Å²	108.1	62%	0.623	55%	0.552	S	S	*	*	H	α-helix	trans	-65.4	-45.4	173.4	-76.8	-175.3	-179.5	-113	2.4	111.3	S2 L3 A4 E8 L9 V10	S2-R6 PolarHBondContact O-N 2.81Å; L3-R6 PolarHBondContact O-N 2.88Å; A4-R6 VanDerWaalsContact C-N 3.34Å; A4-R6 PolarHBondContact O-N 3.08Å; R6-E8 VanDerWaalsContact C-N 3.34Å; R6-E8 PolarHBondContact O-N 2.61Å; R6-L9 PolarHBondContact O-N 2.75Å; R6-V10 VanDerWaalsContact O-CG2 3.26Å; R6-V10 WeakPolarHBondContact O-CG2 3.23Å; R6-V10 PolarHBondContact O-N 3.26Å
7	S	46.3	Very low	51.5	Low	65 Å²	65	105.9 Å²	105.9	46%	0.455	54%	0.538	S	S	.	.	H	α-helix	trans	-63.1	-40.2	178	50.3	0	0	0	0	112.3	L3 A4 V10 V11	L3-S7 PolarHBondContact O-N 3.19Å; L3-S7 PolarHBondContact O-OG 3.34Å; A4-S7 WeakPolarHBondContact CA-OG 3.26Å; A4-S7 PolarHBondContact O-N 2.91Å; A4-S7 PolarHBondContact O-OG 3.25Å; S7-V10 PolarHBondContact O-N 3.23Å; S7-V11 WeakPolarHBondContact O-CB 3.48Å; S7-V11 WeakPolarHBondContact O-CG2 3.1Å; S7-V11 PolarHBondContact O-N 2.54Å
8	E	48.6	Very low	51.4	Low	125 Å²	125	109.9 Å²	109.9	58%	0.584	55%	0.551	S	S	*	*	H	α-helix	trans	-64.9	-42	176.6	-73.4	172.8	-171	0	0	111.8	A4 R6 V10 V11 D12	A4-E8 WeakPolarHBondContact O-CG 3.42Å; A4-E8 PolarHBondContact O-N 2.99Å; R6-E8 VanDerWaalsContact C-N 3.34Å; R6-E8 PolarHBondContact O-N 2.61Å; E8-V10 VanDerWaalsContact C-N 3.34Å; E8-V10 PolarHBondContact O-N 3.15Å; E8-V11 PolarHBondContact O-N 3.16Å; E8-D12 WeakPolarHBondContact O-CB 3.38Å; E8-D12 PolarHBondContact O-N 2.77Å
9	L	51.7	Low	51.5	Low	109 Å²	109	115.9 Å²	115.9	57%	0.571	57%	0.567	S	S	*	*	H	α-helix	trans	-63.4	-40	176.4	-155.9	81.7	0	0	0	111.8	L5 R6 K13	L5-L9 WeakPolarHBondContact O-CB 3.32Å; L5-L9 PolarHBondContact O-N 2.91Å; R6-L9 PolarHBondContact O-N 2.75Å; L9-K13 WeakPolarHBondContact O-CB 3.27Å; L9-K13 VanDerWaalsContact O-CG 3.32Å; L9-K13 WeakPolarHBondContact O-CG 3.43Å; L9-K13 PolarHBondContact O-N 3.33Å
10	V	53.8	Low	52.5	Low	91 Å²	91	115.6 Å²	115.6	55%	0.552	56%	0.559	S	S	*	*	H	α-helix	trans	-67.6	-39.8	175.4	173.9	0	0	0	0	111.1	R6 S7 E8 T14	R6-V10 VanDerWaalsContact O-CG2 3.26Å; R6-V10 WeakPolarHBondContact O-CG2 3.23Å; R6-V10 PolarHBondContact O-N 3.26Å; S7-V10 PolarHBondContact O-N 3.23Å; E8-V10 VanDerWaalsContact C-N 3.34Å; E8-V10 PolarHBondContact O-N 3.15Å; V10-T14 WeakPolarHBondContact O-CB 3.45Å; V10-T14 WeakPolarHBondContact O-CG2 3.25Å; V10-T14 PolarHBondContact O-N 2.74Å; V10-T14 PolarHBondContact O-OG1 3.46Å
11	V	52.3	Low	53.9	Low	73 Å²	73	117.9 Å²	117.9	44%	0.442	57%	0.569	S	S	.	*	H	α-helix	trans	-68.8	-39.4	177	173.2	0	0	0	0	111.7	S7 E8 T14 K15	S7-V11 WeakPolarHBondContact O-CB 3.48Å; S7-V11 WeakPolarHBondContact O-CG2 3.1Å; S7-V11 PolarHBondContact O-N 2.54Å; E8-V11 PolarHBondContact O-N 3.16Å; V11-T14 VanDerWaalsContact CA-OG1 3.29Å; V11-T14 WeakPolarHBondContact CA-OG1 3.23Å; V11-T14 PolarHBondContact O-N 2.73Å; V11-T14 PolarHBondContact O-OG1 3.12Å; V11-K15 WeakPolarHBondContact O-CB 3.45Å; V11-K15 WeakPolarHBondContact O-CG 3.32Å; V11-K15 PolarHBondContact O-N 3.06Å
12	D	54.8	Low	55.7	Low	73 Å²	73	109.6 Å²	109.6	39%	0.39	53%	0.528	S	S	.	.	H	α-helix	trans	-67	-44.2	175.9	-170.9	48.7	0	0	0	111.3	E8 T14 K15 R16	E8-D12 WeakPolarHBondContact O-CB 3.38Å; E8-D12 PolarHBondContact O-N 2.77Å; D12-T14 PolarHBondContact O-N 2.78Å; D12-K15 PolarHBondContact O-N 3.19Å; D12-R16 WeakPolarHBondContact O-CB 3.22Å; D12-R16 WeakPolarHBondContact O-CG 3.39Å; D12-R16 PolarHBondContact O-N 3.05Å; D12-R16 IonicContact OD2-CZ 3.84Å; D12-R16 IonicContact OD2-NH1 3.43Å; D12-R16 PolarHBondContact OD2-NH1 3.12Å
13	K	53.5	Low	57.2	Low	91 Å²	91	108.7 Å²	108.7	40%	0.396	52%	0.522	S	S	.	.	H	α-helix	trans	-58.1	-46.2	173.1	-80	-169.8	165.2	-140.3	0	112	L9 K15 R16 K17 D92	L9-K13 WeakPolarHBondContact O-CB 3.27Å; L9-K13 VanDerWaalsContact O-CG 3.32Å; L9-K13 WeakPolarHBondContact O-CG 3.43Å; L9-K13 PolarHBondContact O-N 3.33Å; K13-K15 PolarHBondContact O-N 2.96Å; K13-R16 PolarHBondContact O-N 3.11Å; K13-K17 WeakPolarHBondContact O-CG 3.46Å; K13-K17 PolarHBondContact O-N 3.41Å; K13-D92 IonicContact NZ-OD2 3.11Å; K13-D92 PolarHBondContact NZ-OD2 3.44Å
14	T	53.1	Low	59.2	Low	70 Å²	70	108 Å²	108	43%	0.429	51%	0.514	S	S	.	.	H	α-helix	trans	-67.4	-34.9	178.9	48.1	0	0	0	0	113.1	V10 V11 D12 K18	V10-T14 WeakPolarHBondContact O-CB 3.45Å; V10-T14 WeakPolarHBondContact O-CG2 3.25Å; V10-T14 PolarHBondContact O-N 2.74Å; V10-T14 PolarHBondContact O-OG1 3.46Å; V11-T14 VanDerWaalsContact CA-OG1 3.29Å; V11-T14 WeakPolarHBondContact CA-OG1 3.23Å; V11-T14 PolarHBondContact O-N 2.73Å; V11-T14 PolarHBondContact O-OG1 3.12Å; D12-T14 PolarHBondContact O-N 2.78Å; T14-K18 PolarHBondContact O-N 3.2Å
15	K	48.5	Very low	61	Low	138 Å²	138	112.6 Å²	112.6	60%	0.6	53%	0.526	S	S	*	.	H	α-helix	trans	-67.5	-39.5	173	-79.3	-176.2	-180	179.8	0	112.5	V11 D12 K13 K18	V11-K15 WeakPolarHBondContact O-CB 3.45Å; V11-K15 WeakPolarHBondContact O-CG 3.32Å; V11-K15 PolarHBondContact O-N 3.06Å; D12-K15 PolarHBondContact O-N 3.19Å; K13-K15 PolarHBondContact O-N 2.96Å; K15-K18 PolarHBondContact O-N 3.42Å
16	R	51.3	Low	63.1	Low	174 Å²	174	111.4 Å²	111.4	66%	0.657	52%	0.518	S	S	*	.	H	α-helix	trans	-63.1	-47.7	173.1	-78.5	174.4	141.8	148.4	-15.3	111.1	D12 K13 K18 R19	D12-R16 WeakPolarHBondContact O-CB 3.22Å; D12-R16 WeakPolarHBondContact O-CG 3.39Å; D12-R16 PolarHBondContact O-N 3.05Å; D12-R16 IonicContact OD2-CZ 3.84Å; D12-R16 IonicContact OD2-NH1 3.43Å; D12-R16 PolarHBondContact OD2-NH1 3.12Å; K13-R16 PolarHBondContact O-N 3.11Å; R16-K18 VanDerWaalsContact C-N 3.34Å; R16-K18 PolarHBondContact O-N 3.09Å; R16-R19 PolarHBondContact O-N 3.03Å; R16-R19 VanDerWaalsContact O-N 3.09Å
17	K	50.4	Low	65.5	Low	71 Å²	71	107.3 Å²	107.3	31%	0.309	51%	0.505	S	S	.	.	H	α-helix	trans	-55.7	-45	174.5	-76.4	-172.5	179.7	-163.7	0	112.4	K13 R19 R20 D92 L95	K13-K17 WeakPolarHBondContact O-CG 3.46Å; K13-K17 PolarHBondContact O-N 3.41Å; K17-R19 PolarHBondContact O-N 3.37Å; K17-R19 VanDerWaalsContact O-N 3.11Å; K17-R20 CarbonylContact O-C 3.48Å; K17-R20 PolarHBondContact O-N 2.98Å; K17-R20 VanDerWaalsContact O-O 3.06Å; K17-D92 WeakPolarHBondContact CE-OD1 3.31Å; K17-D92 IonicContact NZ-OD1 3.59Å; K17-D92 PolarHBondContact NZ-OD1 3.39Å; K17-L95 HydrophobicContact CG-CD1 4.38Å
18	K	49.3	Very low	67.9	Low	179 Å²	179	108.4 Å²	108.4	78%	0.778	50%	0.503	S	S	*	.	H	α-helix	trans	-61.3	-21	178.7	-86.1	-169.6	174.8	-173.3	0	114.8	T14 K15 R16	T14-K18 PolarHBondContact O-N 3.2Å; K15-K18 PolarHBondContact O-N 3.42Å; R16-K18 VanDerWaalsContact C-N 3.34Å; R16-K18 PolarHBondContact O-N 3.09Å
19	R	54.4	Low	70.2	Confident	223 Å²	223	107.8 Å²	107.8	84%	0.842	50%	0.5	S	S	*	.	H	α-helix	trans	-90.6	-17.3	-177.6	-74.9	-174.3	69.3	-173.6	-0.1	113.6	R16 K17	R16-R19 PolarHBondContact O-N 3.03Å; R16-R19 VanDerWaalsContact O-N 3.09Å; K17-R19 PolarHBondContact O-N 3.37Å; K17-R19 VanDerWaalsContact O-N 3.11Å
20	R	70.4	Confident	72.3	Confident	110 Å²	110	102.6 Å²	102.6	42%	0.415	47%	0.473	S	S	.	.			trans	-145	102.5	-178.3	-63.2	178.7	78	-172.7	7.5	107.6	K17 L95 R97 P99	K17-R20 CarbonylContact O-C 3.48Å; K17-R20 PolarHBondContact O-N 2.98Å; K17-R20 VanDerWaalsContact O-O 3.06Å; R20-L95 HydrophobicContact CB-CD2 3.64Å; R20-L95 PolarHBondContact NH1-O 3.03Å; R20-L95 WeakPolarHBondContact O-CD1 3.32Å; R20-L95 WeakPolarHBondContact O-CD2 3.12Å; R20-R97 PolarHBondContact NH1-O 3.31Å; R20-R97 VanDerWaalsContact NH1-O 3.13Å; R20-P99 VanDerWaalsContact NH2-CG 3.29Å
21	E	82.8	Confident	74.4	Confident	164 Å²	164	102.3 Å²	102.3	77%	0.766	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-89.1	150.4	167.1	-65.9	-172.7	172.2	0	0	108.7
22	L	88.6	Confident	76.5	Confident	14 Å²	14	102.6 Å²	102.6	7%	0.073	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-69.5	147.5	175.1	-61.5	-173.1	0	0	0	111.1	Q26 K27 I30 T91 I94 L95	L22-Q26 HydrophobicContact CB-CB 4.17Å; L22-K27 HydrophobicContact CB-CG 3.96Å; L22-K27 HydrophobicContact CD1-CG 4.39Å; L22-K27 WeakPolarHBondContact O-CE 3.36Å; L22-I30 HydrophobicContact CD1-CD1 3.5Å; L22-T91 HydrophobicContact CD1-CG2 3.87Å; L22-T91 WeakPolarHBondContact CD1-OG1 3.33Å; L22-T91 HydrophobicContact CD2-CG2 4.46Å; L22-T91 HydrophobicContact CG-CG2 3.98Å; L22-I94 HydrophobicContact CD1-CD1 4.39Å; L22-I94 HydrophobicContact CD2-CB 3.91Å; L22-I94 HydrophobicContact CD2-CD1 4.43Å; L22-I94 HydrophobicContact CD2-CG2 3.51Å; L22-L95 HydrophobicContact CD2-CD2 3.71Å; L22-L95 HydrophobicContact CD2-CG 4.08Å
23	S	90.4	Very high	78.6	Confident	51 Å²	51	99.5 Å²	99.5	36%	0.357	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-66.2	160	167.7	72	0	0	0	0	110.8	E25 Q26 K27	S23-E25 PolarHBondContact O-N 3.09Å; S23-Q26 VanDerWaalsContact N-OE1 3.13Å; S23-Q26 PolarHBondContact O-N 3.3Å; S23-Q26 WeakPolarHBondContact OG-CG 3.25Å; S23-Q26 PolarHBondContact OG-N 3.33Å; S23-Q26 VanDerWaalsContact OG-N 3.1Å; S23-K27 WeakPolarHBondContact O-CG 3.37Å; S23-K27 PolarHBondContact O-N 3.41Å
24	E	93.3	Very high	80.7	Confident	138 Å²	138	95.6 Å²	95.6	65%	0.645	43%	0.431	S	S	*	.	H	α-helix	trans	-62.4	-34.3	174.7	-64.2	-56	117.7	0	0	111.7	K27 Q28	E24-K27 PolarHBondContact O-N 2.98Å; E24-K27 IonicContact OE1-NZ 3.56Å; E24-K27 PolarHBondContact OE1-NZ 3.27Å; E24-Q28 WeakPolarHBondContact O-CB 3.43Å; E24-Q28 PolarHBondContact O-N 2.86Å
25	E	92.8	Very high	82.7	Confident	152 Å²	152	96.8 Å²	96.8	71%	0.71	43%	0.432	S	S	*	.	H	α-helix	trans	-61.9	-47.5	174.1	-67	171.7	170	0	0	111.3	S23 K27 Q28 E29	S23-E25 PolarHBondContact O-N 3.09Å; E25-K27 VanDerWaalsContact C-N 3.35Å; E25-K27 PolarHBondContact O-N 3.03Å; E25-Q28 WeakPolarHBondContact O-CB 3.34Å; E25-Q28 PolarHBondContact O-N 3.06Å; E25-Q28 VanDerWaalsContact O-N 3.14Å; E25-E29 WeakPolarHBondContact O-CG 3.49Å; E25-E29 PolarHBondContact O-N 2.74Å
26	Q	92.6	Very high	85	Confident	63 Å²	63	95.8 Å²	95.8	29%	0.294	43%	0.432	S	S	.	.	H	α-helix	trans	-62.2	-41.7	176.8	-74.4	174.1	-33.6	0	0	111.9	L22 S23 Q28 E29 I30	L22-Q26 HydrophobicContact CB-CB 4.17Å; S23-Q26 VanDerWaalsContact N-OE1 3.13Å; S23-Q26 PolarHBondContact O-N 3.3Å; S23-Q26 WeakPolarHBondContact OG-CG 3.25Å; S23-Q26 PolarHBondContact OG-N 3.33Å; S23-Q26 VanDerWaalsContact OG-N 3.1Å; Q26-Q28 VanDerWaalsContact C-N 3.27Å; Q26-Q28 PolarHBondContact O-N 3.22Å; Q26-E29 PolarHBondContact O-N 3.39Å; Q26-I30 VanDerWaalsContact O-CG1 3.26Å; Q26-I30 WeakPolarHBondContact O-CG1 3.49Å; Q26-I30 PolarHBondContact O-N 2.92Å
27	K	96	Very high	87.1	Confident	79 Å²	79	89.5 Å²	89.5	34%	0.343	41%	0.41	S	S	.	.	H	α-helix	trans	-61.9	-39.3	175.5	-67.8	172.2	-168.1	166.6	0	111.4	L22 S23 E24 E25 I30 K31	L22-K27 HydrophobicContact CB-CG 3.96Å; L22-K27 HydrophobicContact CD1-CG 4.39Å; L22-K27 WeakPolarHBondContact O-CE 3.36Å; S23-K27 WeakPolarHBondContact O-CG 3.37Å; S23-K27 PolarHBondContact O-N 3.41Å; E24-K27 PolarHBondContact O-N 2.98Å; E24-K27 IonicContact OE1-NZ 3.56Å; E24-K27 PolarHBondContact OE1-NZ 3.27Å; E25-K27 VanDerWaalsContact C-N 3.35Å; E25-K27 PolarHBondContact O-N 3.03Å; K27-I30 PolarHBondContact O-N 3.03Å; K27-K31 PolarHBondContact O-N 2.93Å; K27-K31 VanDerWaalsContact O-N 3.16Å
28	Q	97.1	Very high	89.2	Confident	89 Å²	89	86.5 Å²	86.5	42%	0.416	40%	0.397	S	S	.	.	H	α-helix	trans	-67.2	-43	176.9	-169.8	59.5	53.1	0	0	111.3	E24 E25 Q26 I30 K31 D32	E24-Q28 WeakPolarHBondContact O-CB 3.43Å; E24-Q28 PolarHBondContact O-N 2.86Å; E25-Q28 WeakPolarHBondContact O-CB 3.34Å; E25-Q28 PolarHBondContact O-N 3.06Å; E25-Q28 VanDerWaalsContact O-N 3.14Å; Q26-Q28 VanDerWaalsContact C-N 3.27Å; Q26-Q28 PolarHBondContact O-N 3.22Å; Q28-I30 VanDerWaalsContact C-N 3.34Å; Q28-I30 PolarHBondContact O-N 3.14Å; Q28-K31 WeakPolarHBondContact O-CB 3.24Å; Q28-K31 PolarHBondContact O-N 3.02Å; Q28-K31 VanDerWaalsContact O-N 3.12Å; Q28-D32 PolarHBondContact NE2-OD1 3.34Å; Q28-D32 WeakPolarHBondContact O-CB 3.4Å; Q28-D32 PolarHBondContact O-N 2.8Å
29	E	96.4	Very high	91.1	Very high	111 Å²	111	82.9 Å²	82.9	52%	0.519	39%	0.39	S	S	.	.	H	α-helix	trans	-58.6	-42.7	174.9	-74.5	179.5	175.3	0	0	112.4	E25 Q26 K31 D32 A33 L57	E25-E29 WeakPolarHBondContact O-CG 3.49Å; E25-E29 PolarHBondContact O-N 2.74Å; Q26-E29 PolarHBondContact O-N 3.39Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 3.35Å; E29-D32 PolarHBondContact O-N 3.16Å; E29-A33 WeakPolarHBondContact O-CB 3.38Å; E29-A33 PolarHBondContact O-N 2.88Å; E29-L57 HydrophobicContact CB-CD2 4.19Å
30	I	97.5	Very high	92.9	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-58.3	-47.3	175.4	-65.5	173.2	0	0	0	110.1	L22 Q26 K27 Q28 A33 F34 F83 F86 N87 V90 I94	L22-I30 HydrophobicContact CD1-CD1 3.5Å; Q26-I30 VanDerWaalsContact O-CG1 3.26Å; Q26-I30 WeakPolarHBondContact O-CG1 3.49Å; Q26-I30 PolarHBondContact O-N 2.92Å; K27-I30 PolarHBondContact O-N 3.03Å; Q28-I30 VanDerWaalsContact C-N 3.34Å; Q28-I30 PolarHBondContact O-N 3.14Å; I30-A33 PolarHBondContact O-N 3.46Å; I30-F34 PolarHBondContact O-N 2.77Å; I30-F83 HydrophobicContact CG2-CE2 4.33Å; I30-F86 HydrophobicContact CG2-CD1 3.95Å; I30-F86 HydrophobicContact CG2-CE1 3.81Å; I30-F86 WeakPolarHBondContact O-CE1 3.21Å; I30-N87 HydrophobicContact CG2-CB 4.23Å; I30-V90 HydrophobicContact CD1-CB 4.3Å; I30-V90 HydrophobicContact CD1-CG1 3.81Å; I30-V90 HydrophobicContact CG1-CB 4.37Å; I30-V90 HydrophobicContact CG1-CG1 3.63Å; I30-V90 HydrophobicContact CG2-CB 4.43Å; I30-V90 HydrophobicContact CG2-CG1 4.46Å; I30-I94 HydrophobicContact CD1-CD1 3.91Å; I30-I94 HydrophobicContact CG1-CD1 4.09Å
31	K	97.2	Very high	93.8	Very high	85 Å²	85	77.7 Å²	77.7	37%	0.37	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-47.8	179.7	-177.1	178.8	171.5	-177.5	0	111.6	K27 Q28 E29 A33 F34 E35 F83	K27-K31 PolarHBondContact O-N 2.93Å; K27-K31 VanDerWaalsContact O-N 3.16Å; Q28-K31 WeakPolarHBondContact O-CB 3.24Å; Q28-K31 PolarHBondContact O-N 3.02Å; Q28-K31 VanDerWaalsContact O-N 3.12Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 3.35Å; K31-A33 VanDerWaalsContact C-N 3.31Å; K31-A33 PolarHBondContact O-N 3.36Å; K31-F34 PolarHBondContact O-N 3.48Å; K31-E35 WeakPolarHBondContact CE-OE1 3.49Å; K31-E35 HydrophobicContact CG-CG 4.46Å; K31-E35 IonicContact NZ-OE1 3.74Å; K31-E35 WeakPolarHBondContact O-CG 3.49Å; K31-E35 PolarHBondContact O-N 2.77Å; K31-F83 HydrophobicContact CB-CE2 4.24Å; K31-F83 HydrophobicContact CB-CZ 4.28Å; K31-F83 HydrophobicContact CG-CE2 4.46Å; K31-F83 HydrophobicContact CG-CZ 4.48Å
32	D	97.1	Very high	94.4	Very high	79 Å²	79	73.5 Å²	73.5	42%	0.422	36%	0.364	S	S	.	.	H	α-helix	trans	-62	-41.4	-179.8	-67.1	-12.7	0	0	0	111	Q28 E29 E35 L36	Q28-D32 PolarHBondContact NE2-OD1 3.34Å; Q28-D32 WeakPolarHBondContact O-CB 3.4Å; Q28-D32 PolarHBondContact O-N 2.8Å; E29-D32 PolarHBondContact O-N 3.16Å; D32-E35 PolarHBondContact O-N 3.01Å; D32-L36 WeakPolarHBondContact O-CB 3.45Å; D32-L36 PolarHBondContact O-N 3.13Å
33	A	97.2	Very high	94.6	Very high	8 Å²	8	80.2 Å²	80.2	7%	0.066	40%	0.395	C	S	.	.	H	α-helix	trans	-63	-45.4	174.7	0	0	0	0	0	111.6	E29 I30 K31 L36 F37 L57	E29-A33 WeakPolarHBondContact O-CB 3.38Å; E29-A33 PolarHBondContact O-N 2.88Å; I30-A33 PolarHBondContact O-N 3.46Å; K31-A33 VanDerWaalsContact C-N 3.31Å; K31-A33 PolarHBondContact O-N 3.36Å; A33-L36 PolarHBondContact O-N 2.78Å; A33-F37 WeakPolarHBondContact O-CD2 3.47Å; A33-F37 PolarHBondContact O-N 3.07Å; A33-L57 HydrophobicContact CB-CD1 3.88Å; A33-L57 HydrophobicContact CB-CD2 3.67Å; A33-L57 HydrophobicContact CB-CG 3.63Å
34	F	97.7	Very high	94.9	Very high	9 Å²	9	78.4 Å²	78.4	4%	0.039	38%	0.383	C	S	.	.	H	α-helix	trans	-58.7	-52.7	176.4	-176.1	-87.8	0	0	0	111.2	I30 K31 L36 F37 D38 E43 I45 F83 F86	I30-F34 PolarHBondContact O-N 2.77Å; K31-F34 PolarHBondContact O-N 3.48Å; F34-L36 VanDerWaalsContact C-N 3.28Å; F34-L36 PolarHBondContact O-N 3.24Å; F34-F37 PolarHBondContact O-N 2.77Å; F34-F37 VanDerWaalsContact O-N 3.16Å; F34-D38 HydrophobicContact CD1-CB 4.38Å; F34-D38 HydrophobicContact CE1-CB 4.05Å; F34-D38 WeakPolarHBondContact O-CB 3.46Å; F34-D38 PolarHBondContact O-N 2.96Å; F34-E43 WeakPolarHBondContact CZ-O 3.46Å; F34-I45 HydrophobicContact CD2-CD1 3.84Å; F34-I45 HydrophobicContact CD2-CG1 4.31Å; F34-I45 HydrophobicContact CD2-CG2 4.06Å; F34-I45 HydrophobicContact CE2-CB 4.33Å; F34-I45 HydrophobicContact CE2-CD1 3.9Å; F34-I45 HydrophobicContact CE2-CG1 3.87Å; F34-I45 HydrophobicContact CE2-CG2 3.73Å; F34-I45 HydrophobicContact CZ-CG2 4.08Å; F34-F83 HydrophobicContact CB-CD2 3.83Å; F34-F83 HydrophobicContact CB-CE2 4.23Å; F34-F83 HydrophobicContact CD1-CB 4.15Å; F34-F83 AromaticContact CD1-CD2 3.91Å; F34-F83 HydrophobicContact CD1-CD2 3.91Å; F34-F83 HydrophobicContact CD1-CG 4.43Å; F34-F83 HydrophobicContact CD2-CB 4.29Å; F34-F83 AromaticContact CD2-CD2 3.97Å; F34-F83 HydrophobicContact CD2-CD2 3.97Å; F34-F83 HydrophobicContact CE1-CB 3.88Å; F34-F83 HydrophobicContact CE1-CD2 4.5Å; F34-F83 VanDerWaalsContact CE2-CA 3.47Å; F34-F83 HydrophobicContact CE2-CB 4.01Å; F34-F83 HydrophobicContact CG-CB 4.35Å; F34-F83 AromaticContact CG-CD2 3.62Å; F34-F83 HydrophobicContact CG-CD2 3.62Å; F34-F83 HydrophobicContact CG-CE2 4.49Å; F34-F83 HydrophobicContact CG-CG 4.46Å; F34-F83 HydrophobicContact CZ-CB 3.81Å; F34-F86 HydrophobicContact CB-CD1 3.85Å; F34-F86 HydrophobicContact CB-CE1 3.87Å; F34-F86 HydrophobicContact CD2-CB 3.84Å; F34-F86 AromaticContact CD2-CD1 3.64Å; F34-F86 HydrophobicContact CD2-CD1 3.64Å; F34-F86 HydrophobicContact CD2-CE1 4.33Å; F34-F86 AromaticContact CD2-CG 3.81Å; F34-F86 HydrophobicContact CD2-CG 3.81Å; F34-F86 HydrophobicContact CE2-CB 4.14Å; F34-F86 HydrophobicContact CG-CD1 4.21Å
35	E	95.7	Very high	95.1	Very high	95 Å²	95	71.8 Å²	71.8	44%	0.444	35%	0.352	S	S	.	.	H	α-helix	trans	-64.7	-31	-177.6	-70.6	-177.4	-177.4	0	0	113	K31 D32 F37 K41	K31-E35 WeakPolarHBondContact CE-OE1 3.49Å; K31-E35 HydrophobicContact CG-CG 4.46Å; K31-E35 IonicContact NZ-OE1 3.74Å; K31-E35 WeakPolarHBondContact O-CG 3.49Å; K31-E35 PolarHBondContact O-N 2.77Å; D32-E35 PolarHBondContact O-N 3.01Å; E35-F37 VanDerWaalsContact C-N 3.33Å; E35-K41 PolarHBondContact O-NZ 2.95Å
36	L	96.2	Very high	95.3	Very high	117 Å²	117	66.9 Å²	66.9	61%	0.613	33%	0.331	S	S	*	.	H	α-helix	trans	-67.6	-35.1	177	-179	62.1	0	0	0	112	D32 A33 F34	D32-L36 WeakPolarHBondContact O-CB 3.45Å; D32-L36 PolarHBondContact O-N 3.13Å; A33-L36 PolarHBondContact O-N 2.78Å; F34-L36 VanDerWaalsContact C-N 3.28Å; F34-L36 PolarHBondContact O-N 3.24Å
37	F	95.2	Very high	95.5	Very high	43 Å²	43	66.2 Å²	66.2	19%	0.189	33%	0.326	C	S	.	.	H	α-helix	trans	-107.3	-12.4	-173.4	-63.5	-67.6	0	0	0	114.9	A33 F34 E35 T39 E49 V52 A53 A56	A33-F37 WeakPolarHBondContact O-CD2 3.47Å; A33-F37 PolarHBondContact O-N 3.07Å; F34-F37 PolarHBondContact O-N 2.77Å; F34-F37 VanDerWaalsContact O-N 3.16Å; E35-F37 VanDerWaalsContact C-N 3.33Å; F37-T39 PolarHBondContact O-N 3.35Å; F37-E49 HydrophobicContact CB-CB 4.46Å; F37-E49 WeakPolarHBondContact O-CB 3.37Å; F37-E49 WeakPolarHBondContact O-CG 3.47Å; F37-V52 HydrophobicContact CB-CG2 4.15Å; F37-V52 HydrophobicContact CD1-CB 4.06Å; F37-V52 HydrophobicContact CD1-CG2 3.24Å; F37-V52 HydrophobicContact CD2-CG2 4.43Å; F37-V52 HydrophobicContact CE1-CB 3.94Å; F37-V52 HydrophobicContact CE1-CG2 3.64Å; F37-V52 HydrophobicContact CG-CG2 3.69Å; F37-V52 HydrophobicContact CZ-CB 4.41Å; F37-V52 HydrophobicContact CZ-CG2 4.41Å; F37-A53 HydrophobicContact CB-CB 4.08Å; F37-A53 HydrophobicContact CD2-CB 3.57Å; F37-A53 HydrophobicContact CE2-CB 4.38Å; F37-A53 HydrophobicContact CG-CB 4.11Å; F37-A56 HydrophobicContact CE2-CB 3.39Å; F37-A56 HydrophobicContact CZ-CB 3.75Å
38	D	95.1	Very high	95.5	Very high	8 Å²	8	68.6 Å²	68.6	4%	0.043	34%	0.338	C	S	.	.			trans	-68.8	82.9	157.5	173.8	11.2	0	0	0	108	F34 K41 D42 E43 I45	F34-D38 HydrophobicContact CD1-CB 4.38Å; F34-D38 HydrophobicContact CE1-CB 4.05Å; F34-D38 WeakPolarHBondContact O-CB 3.46Å; F34-D38 PolarHBondContact O-N 2.96Å; D38-K41 WeakPolarHBondContact O-CE 3.48Å; D38-K41 PolarHBondContact O-NZ 3.1Å; D38-K41 WeakPolarHBondContact OD1-CA 3.37Å; D38-K41 PolarHBondContact OD1-N 3.29Å; D38-D42 PolarHBondContact OD1-N 3.09Å; D38-D42 VanDerWaalsContact OD1-N 3.16Å; D38-E43 WeakPolarHBondContact OD2-CA 3.42Å; D38-E43 PolarHBondContact OD2-N 2.99Å; D38-E43 VanDerWaalsContact OD2-N 3.09Å; D38-I45 HydrophobicContact CB-CG2 3.96Å
39	T	89.3	Confident	95.5	Very high	103 Å²	103	65.1 Å²	65.1	63%	0.632	32%	0.322	S	S	*	.			trans	-82.7	-29.4	-170.7	57.5	0	0	0	0	112.6	F37 E49	F37-T39 PolarHBondContact O-N 3.35Å; T39-E49 PolarHBondContact N-OE1 2.77Å; T39-E49 VanDerWaalsContact N-OE1 3.16Å; T39-E49 PolarHBondContact OG1-OE1 2.9Å
40	D	91.7	Very high	95.6	Very high	91 Å²	91	59.8 Å²	59.8	49%	0.487	30%	0.297	S	S	.	.	S	Bend	trans	-88.6	-6.2	177.1	66.9	1.8	0	0	0	113.3	D42 K80	D40-D42 VanDerWaalsContact C-N 3.3Å; D40-D42 PolarHBondContact O-N 3.27Å; D40-D42 PolarHBondContact OD1-N 3.47Å; D40-K80 IonicContact OD1-NZ 2.81Å; D40-K80 IonicContact OD2-NZ 2.66Å; D40-K80 PolarHBondContact OD2-NZ 3.21Å
41	K	90.6	Very high	95.5	Very high	132 Å²	132	62.3 Å²	62.3	57%	0.574	31%	0.308	S	S	*	.			trans	62.1	37.5	174.9	-58.5	-67.3	170.2	-148.2	0	112.2	E35 D38 E43	E35-K41 PolarHBondContact O-NZ 2.95Å; D38-K41 WeakPolarHBondContact O-CE 3.48Å; D38-K41 PolarHBondContact O-NZ 3.1Å; D38-K41 WeakPolarHBondContact OD1-CA 3.37Å; D38-K41 PolarHBondContact OD1-N 3.29Å; K41-E43 VanDerWaalsContact C-N 3.33Å
42	D	93.6	Very high	95.4	Very high	76 Å²	76	61.3 Å²	61.3	41%	0.406	31%	0.309	S	S	.	.	S	Bend	trans	-94.8	9.7	176	88.9	-23	0	0	0	113.8	D38 D40 A44 K80	D38-D42 PolarHBondContact OD1-N 3.09Å; D38-D42 VanDerWaalsContact OD1-N 3.16Å; D40-D42 VanDerWaalsContact C-N 3.3Å; D40-D42 PolarHBondContact O-N 3.27Å; D40-D42 PolarHBondContact OD1-N 3.47Å; D42-A44 PolarHBondContact O-N 3.49Å; D42-A44 WeakPolarHBondContact OD1-CB 3.22Å; D42-A44 PolarHBondContact OD1-N 3.2Å; D42-A44 VanDerWaalsContact OD1-N 3.12Å; D42-K80 IonicContact OD1-NZ 2.84Å; D42-K80 PolarHBondContact OD1-NZ 3.27Å; D42-K80 VanDerWaalsContact OD1-NZ 3.11Å; D42-K80 WeakPolarHBondContact OD2-CD 3.46Å; D42-K80 WeakPolarHBondContact OD2-CE 3.42Å; D42-K80 IonicContact OD2-NZ 3.42Å; D42-K80 PolarHBondContact OD2-NZ 2.96Å
43	E	94.8	Very high	95.4	Very high	155 Å²	155	57.6 Å²	57.6	72%	0.724	29%	0.289	S	S	*	.	S	Bend	trans	62.8	19.6	179.9	-54.2	-179.1	160.7	0	0	112.9	F34 D38 K41	F34-E43 WeakPolarHBondContact CZ-O 3.46Å; D38-E43 WeakPolarHBondContact OD2-CA 3.42Å; D38-E43 PolarHBondContact OD2-N 2.99Å; D38-E43 VanDerWaalsContact OD2-N 3.09Å; K41-E43 VanDerWaalsContact C-N 3.33Å
44	A	96.8	Very high	95.4	Very high	13 Å²	13	57.2 Å²	57.2	11%	0.107	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	160	174.6	0	0	0	0	0	110.5	D42 K80 I81	D42-A44 PolarHBondContact O-N 3.49Å; D42-A44 WeakPolarHBondContact OD1-CB 3.22Å; D42-A44 PolarHBondContact OD1-N 3.2Å; D42-A44 VanDerWaalsContact OD1-N 3.12Å; A44-K80 HydrophobicContact CB-CB 3.9Å; A44-K80 HydrophobicContact CB-CD 4.02Å; A44-I81 CarbonylContact C-O 3.53Å; A44-I81 WeakPolarHBondContact CA-O 3.5Å; A44-I81 WeakPolarHBondContact CB-O 3.28Å
45	I	97.4	Very high	95.3	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.9	178.3	57.7	-179.5	0	0	0	111.1	F34 D38 E49 L50 K80 I81 F86	F34-I45 HydrophobicContact CD2-CD1 3.84Å; F34-I45 HydrophobicContact CD2-CG1 4.31Å; F34-I45 HydrophobicContact CD2-CG2 4.06Å; F34-I45 HydrophobicContact CE2-CB 4.33Å; F34-I45 HydrophobicContact CE2-CD1 3.9Å; F34-I45 HydrophobicContact CE2-CG1 3.87Å; F34-I45 HydrophobicContact CE2-CG2 3.73Å; F34-I45 HydrophobicContact CZ-CG2 4.08Å; D38-I45 HydrophobicContact CB-CG2 3.96Å; I45-E49 WeakPolarHBondContact CA-OE2 3.5Å; I45-E49 HydrophobicContact CB-CB 3.77Å; I45-E49 HydrophobicContact CG2-CB 4.03Å; I45-L50 HydrophobicContact CD1-CB 4.13Å; I45-L50 HydrophobicContact CD1-CD1 3.93Å; I45-L50 HydrophobicContact CG1-CB 4.34Å; I45-K80 VanDerWaalsContact O-CA 3.29Å; I45-K80 WeakPolarHBondContact O-CA 3.27Å; I45-I81 HydrophobicContact CD1-CG1 4.4Å; I45-I81 HydrophobicContact CG1-CD1 4.43Å; I45-I81 HydrophobicContact CG1-CG1 3.78Å; I45-I81 PolarHBondContact N-O 3.29Å; I45-I81 PolarHBondContact O-N 3.38Å; I45-F86 HydrophobicContact CD1-CB 4.15Å; I45-F86 HydrophobicContact CD1-CD2 3.45Å; I45-F86 VanDerWaalsContact CD1-CD2 3.45Å; I45-F86 HydrophobicContact CD1-CE2 3.9Å; I45-F86 HydrophobicContact CD1-CG 3.85Å
46	D	96.5	Very high	95.3	Very high	49 Å²	49	61.3 Å²	61.3	26%	0.262	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-176.5	177.7	84.4	8.9	0	0	0	112.9	H48 E49 L50 K80	D46-H48 VanDerWaalsContact C-N 3.32Å; D46-H48 PolarHBondContact O-N 3.3Å; D46-H48 WeakPolarHBondContact OD1-CA 3.4Å; D46-H48 WeakPolarHBondContact OD1-CB 3.21Å; D46-H48 PolarHBondContact OD1-N 2.96Å; D46-H48 IonicContact OD1-ND1 3.77Å; D46-H48 IonicContact OD2-ND1 2.84Å; D46-E49 PolarHBondContact N-OE2 3.29Å; D46-E49 PolarHBondContact O-N 2.9Å; D46-E49 PolarHBondContact OD1-N 3.12Å; D46-L50 WeakPolarHBondContact O-CB 3.47Å; D46-L50 PolarHBondContact O-N 3.01Å; D46-K80 HydrophobicContact CB-CG 4.07Å
47	Y	96.9	Very high	95.2	Very high	48 Å²	48	57 Å²	57	19%	0.188	29%	0.288	C	S	.	.	H	α-helix	trans	-52.6	-43.5	176.4	171.7	-89	0	0	0	114.4	K51 K63 V66 L67 L70	Y47-K51 WeakPolarHBondContact O-CB 3.46Å; Y47-K51 PolarHBondContact O-N 2.9Å; Y47-K63 HydrophobicContact CE2-CG 4.41Å; Y47-K63 WeakPolarHBondContact OH-CG 3.47Å; Y47-V66 HydrophobicContact CD2-CB 4.07Å; Y47-V66 HydrophobicContact CD2-CG1 3.38Å; Y47-V66 HydrophobicContact CE2-CB 3.79Å; Y47-V66 HydrophobicContact CE2-CG1 3.61Å; Y47-V66 HydrophobicContact CG-CG1 4.11Å; Y47-L67 HydrophobicContact CD2-CD2 3.92Å; Y47-L67 HydrophobicContact CD2-CG 4.42Å; Y47-L67 HydrophobicContact CE2-CD2 3.94Å; Y47-L67 HydrophobicContact CE2-CG 4.02Å; Y47-L70 HydrophobicContact CD2-CD1 4.01Å; Y47-L70 HydrophobicContact CG-CD1 4.39Å
48	H	95.9	Very high	95	Very high	129 Å²	129	57.5 Å²	57.5	60%	0.597	31%	0.306	S	S	*	.	H	α-helix	trans	-74	-45.6	-176.5	-61.1	100.7	0	0	0	110.4	D46 K51 V52	D46-H48 VanDerWaalsContact C-N 3.32Å; D46-H48 PolarHBondContact O-N 3.3Å; D46-H48 WeakPolarHBondContact OD1-CA 3.4Å; D46-H48 WeakPolarHBondContact OD1-CB 3.21Å; D46-H48 PolarHBondContact OD1-N 2.96Å; D46-H48 IonicContact OD1-ND1 3.77Å; D46-H48 IonicContact OD2-ND1 2.84Å; H48-K51 WeakPolarHBondContact O-CB 3.32Å; H48-K51 PolarHBondContact O-N 3.03Å; H48-V52 WeakPolarHBondContact O-CG2 3.49Å; H48-V52 PolarHBondContact O-N 2.84Å; H48-V52 VanDerWaalsContact O-N 3.07Å
49	E	96.9	Very high	95	Very high	16 Å²	16	58.1 Å²	58.1	8%	0.075	31%	0.308	C	S	.	.	H	α-helix	trans	-62.6	-47	178.8	-66	174.3	140.3	0	0	111	F37 T39 I45 D46 K51 V52 A53	F37-E49 HydrophobicContact CB-CB 4.46Å; F37-E49 WeakPolarHBondContact O-CB 3.37Å; F37-E49 WeakPolarHBondContact O-CG 3.47Å; T39-E49 PolarHBondContact N-OE1 2.77Å; T39-E49 VanDerWaalsContact N-OE1 3.16Å; T39-E49 PolarHBondContact OG1-OE1 2.9Å; I45-E49 WeakPolarHBondContact CA-OE2 3.5Å; I45-E49 HydrophobicContact CB-CB 3.77Å; I45-E49 HydrophobicContact CG2-CB 4.03Å; D46-E49 PolarHBondContact N-OE2 3.29Å; D46-E49 PolarHBondContact O-N 2.9Å; D46-E49 PolarHBondContact OD1-N 3.12Å; E49-K51 VanDerWaalsContact C-N 3.3Å; E49-K51 PolarHBondContact O-N 3.3Å; E49-V52 WeakPolarHBondContact O-CG2 3.07Å; E49-V52 PolarHBondContact O-N 3.3Å; E49-A53 VanDerWaalsContact O-CB 3.27Å; E49-A53 WeakPolarHBondContact O-CB 3.29Å; E49-A53 PolarHBondContact O-N 3.24Å
50	L	97.2	Very high	95.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-55.8	-44.9	173.4	176.9	57.5	0	0	0	111.9	I45 D46 V52 A53 M54 V66 I69 L70 I81 F86	I45-L50 HydrophobicContact CD1-CB 4.13Å; I45-L50 HydrophobicContact CD1-CD1 3.93Å; I45-L50 HydrophobicContact CG1-CB 4.34Å; D46-L50 WeakPolarHBondContact O-CB 3.47Å; D46-L50 PolarHBondContact O-N 3.01Å; L50-V52 PolarHBondContact O-N 3.3Å; L50-A53 PolarHBondContact O-N 2.98Å; L50-M54 HydrophobicContact CD1-CG 3.89Å; L50-M54 HydrophobicContact CD1-SD 3.81Å; L50-M54 HydrophobicContact CG-SD 4.22Å; L50-M54 WeakPolarHBondContact O-CB 3.36Å; L50-M54 VanDerWaalsContact O-CG 3.3Å; L50-M54 WeakPolarHBondContact O-CG 3.34Å; L50-M54 PolarHBondContact O-N 3.25Å; L50-V66 HydrophobicContact CB-CG1 4.34Å; L50-V66 HydrophobicContact CD2-CG1 3.81Å; L50-V66 HydrophobicContact CG-CG1 4.07Å; L50-I69 HydrophobicContact CD2-CB 4.12Å; L50-I69 HydrophobicContact CD2-CG2 3.71Å; L50-L70 HydrophobicContact CD2-CD2 4.15Å; L50-L70 HydrophobicContact CD2-CG 4.26Å; L50-I81 HydrophobicContact CD1-CD1 4.02Å; L50-I81 HydrophobicContact CD2-CD1 4.03Å; L50-F86 HydrophobicContact CD1-CD2 3.62Å; L50-F86 HydrophobicContact CD1-CE2 3.8Å
51	K	97.3	Very high	95.3	Very high	53 Å²	53	55.1 Å²	55.1	23%	0.23	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-41.8	-179	-174.6	178.2	176.7	-173.4	0	112.2	Y47 H48 E49 R55 V61 V66	Y47-K51 WeakPolarHBondContact O-CB 3.46Å; Y47-K51 PolarHBondContact O-N 2.9Å; H48-K51 WeakPolarHBondContact O-CB 3.32Å; H48-K51 PolarHBondContact O-N 3.03Å; E49-K51 VanDerWaalsContact C-N 3.3Å; E49-K51 PolarHBondContact O-N 3.3Å; K51-R55 VanDerWaalsContact CE-CZ 3.45Å; K51-R55 WeakPolarHBondContact O-CD 3.26Å; K51-R55 VanDerWaalsContact O-CG 3.26Å; K51-R55 WeakPolarHBondContact O-CG 3.47Å; K51-R55 PolarHBondContact O-N 3.18Å; K51-V61 HydrophobicContact CG-CG2 4.09Å; K51-V66 HydrophobicContact CB-CG2 4.01Å; K51-V66 HydrophobicContact CG-CG2 4.15Å
52	V	95.3	Very high	95.5	Very high	64 Å²	64	55.5 Å²	55.5	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-76	-36.1	179.3	-64.8	0	0	0	0	111.7	F37 H48 E49 L50 R55 A56	F37-V52 HydrophobicContact CB-CG2 4.15Å; F37-V52 HydrophobicContact CD1-CB 4.06Å; F37-V52 HydrophobicContact CD1-CG2 3.24Å; F37-V52 HydrophobicContact CD2-CG2 4.43Å; F37-V52 HydrophobicContact CE1-CB 3.94Å; F37-V52 HydrophobicContact CE1-CG2 3.64Å; F37-V52 HydrophobicContact CG-CG2 3.69Å; F37-V52 HydrophobicContact CZ-CB 4.41Å; F37-V52 HydrophobicContact CZ-CG2 4.41Å; H48-V52 WeakPolarHBondContact O-CG2 3.49Å; H48-V52 PolarHBondContact O-N 2.84Å; H48-V52 VanDerWaalsContact O-N 3.07Å; E49-V52 WeakPolarHBondContact O-CG2 3.07Å; E49-V52 PolarHBondContact O-N 3.3Å; L50-V52 PolarHBondContact O-N 3.3Å; V52-R55 PolarHBondContact O-N 3.23Å; V52-A56 PolarHBondContact O-N 2.88Å
53	A	97.1	Very high	95.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-48.5	175	0	0	0	0	0	112.2	F37 E49 L50 R55 A56 L57 F86	F37-A53 HydrophobicContact CB-CB 4.08Å; F37-A53 HydrophobicContact CD2-CB 3.57Å; F37-A53 HydrophobicContact CE2-CB 4.38Å; F37-A53 HydrophobicContact CG-CB 4.11Å; E49-A53 VanDerWaalsContact O-CB 3.27Å; E49-A53 WeakPolarHBondContact O-CB 3.29Å; E49-A53 PolarHBondContact O-N 3.24Å; L50-A53 PolarHBondContact O-N 2.98Å; A53-R55 VanDerWaalsContact C-N 3.26Å; A53-R55 PolarHBondContact O-N 3.39Å; A53-A56 PolarHBondContact O-N 3.35Å; A53-L57 WeakPolarHBondContact O-CG 3.45Å; A53-L57 PolarHBondContact O-N 3.4Å; A53-L57 VanDerWaalsContact O-N 3.15Å; A53-F86 HydrophobicContact CB-CE2 3.96Å; A53-F86 HydrophobicContact CB-CZ 3.84Å
54	M	96.7	Very high	95.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-35.5	176.7	-67.9	-173	80.4	0	0	112.1	L50 L57 F59 V61 I69 F86 V89 W93	L50-M54 HydrophobicContact CD1-CG 3.89Å; L50-M54 HydrophobicContact CD1-SD 3.81Å; L50-M54 HydrophobicContact CG-SD 4.22Å; L50-M54 WeakPolarHBondContact O-CB 3.36Å; L50-M54 VanDerWaalsContact O-CG 3.3Å; L50-M54 WeakPolarHBondContact O-CG 3.34Å; L50-M54 PolarHBondContact O-N 3.25Å; M54-L57 PolarHBondContact O-N 3.01Å; M54-F59 HydrophobicContact CB-CB 4.38Å; M54-F59 VanDerWaalsContact O-CB 3.31Å; M54-F59 WeakPolarHBondContact O-CB 3.25Å; M54-F59 WeakPolarHBondContact O-CD2 3.35Å; M54-F59 PolarHBondContact O-N 2.97Å; M54-V61 HydrophobicContact CB-CG1 3.75Å; M54-V61 HydrophobicContact CB-CG2 3.95Å; M54-V61 HydrophobicContact CE-CG1 3.61Å; M54-V61 HydrophobicContact CG-CG1 4.38Å; M54-V61 HydrophobicContact SD-CG1 3.75Å; M54-I69 HydrophobicContact CE-CD1 3.85Å; M54-I69 HydrophobicContact SD-CD1 3.55Å; M54-I69 VanDerWaalsContact SD-CD1 3.55Å; M54-F86 HydrophobicContact CG-CE2 4.15Å; M54-V89 HydrophobicContact CE-CG1 4.32Å; M54-W93 HydrophobicContact CE-CD2 3.85Å; M54-W93 HydrophobicContact CE-CE3 3.56Å; M54-W93 HydrophobicContact CE-CH2 3.93Å; M54-W93 HydrophobicContact CE-CZ2 4.17Å; M54-W93 HydrophobicContact CE-CZ3 3.62Å
55	R	95.9	Very high	95.8	Very high	124 Å²	124	56 Å²	56	47%	0.468	30%	0.3	S	S	.	.	H	α-helix	trans	-69.2	-38.4	175.9	-75.3	173.8	174.2	-157.7	-12.2	113	K51 V52 A53 L57 G58 F59 V61	K51-R55 VanDerWaalsContact CE-CZ 3.45Å; K51-R55 WeakPolarHBondContact O-CD 3.26Å; K51-R55 VanDerWaalsContact O-CG 3.26Å; K51-R55 WeakPolarHBondContact O-CG 3.47Å; K51-R55 PolarHBondContact O-N 3.18Å; V52-R55 PolarHBondContact O-N 3.23Å; A53-R55 VanDerWaalsContact C-N 3.26Å; A53-R55 PolarHBondContact O-N 3.39Å; R55-L57 PolarHBondContact O-N 3.27Å; R55-G58 WeakPolarHBondContact O-CA 3.49Å; R55-G58 PolarHBondContact O-N 2.86Å; R55-F59 WeakPolarHBondContact CA-O 3.39Å; R55-V61 HydrophobicContact CG-CG2 3.87Å
56	A	94.2	Very high	95.8	Very high	66 Å²	66	56 Å²	56	55%	0.545	30%	0.3	S	S	.	.	H	α-helix	trans	-62.7	-32.5	175.8	0	0	0	0	0	111.9	F37 V52 A53 G58	F37-A56 HydrophobicContact CE2-CB 3.39Å; F37-A56 HydrophobicContact CZ-CB 3.75Å; V52-A56 PolarHBondContact O-N 2.88Å; A53-A56 PolarHBondContact O-N 3.35Å; A56-G58 PolarHBondContact O-N 3.02Å
57	L	94.8	Very high	95.8	Very high	26 Å²	26	57.7 Å²	57.7	14%	0.136	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	6.5	172.3	-65.9	171.2	0	0	0	114.1	E29 A33 A53 M54 R55 F59 F86 V90	E29-L57 HydrophobicContact CB-CD2 4.19Å; A33-L57 HydrophobicContact CB-CD1 3.88Å; A33-L57 HydrophobicContact CB-CD2 3.67Å; A33-L57 HydrophobicContact CB-CG 3.63Å; A53-L57 WeakPolarHBondContact O-CG 3.45Å; A53-L57 PolarHBondContact O-N 3.4Å; A53-L57 VanDerWaalsContact O-N 3.15Å; M54-L57 PolarHBondContact O-N 3.01Å; R55-L57 PolarHBondContact O-N 3.27Å; L57-F59 HydrophobicContact CB-CD2 3.81Å; L57-F59 HydrophobicContact CB-CE2 3.85Å; L57-F86 HydrophobicContact CD1-CE1 4.32Å; L57-F86 HydrophobicContact CD1-CZ 3.81Å; L57-V90 HydrophobicContact CD1-CG1 3.73Å; L57-V90 HydrophobicContact CD1-CG2 4.1Å
58	G	91.8	Very high	95.8	Very high	55 Å²	55	61.8 Å²	61.8	57%	0.567	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	8.7	177.2	0	0	0	0	0	115.2	R55 A56	R55-G58 WeakPolarHBondContact O-CA 3.49Å; R55-G58 PolarHBondContact O-N 2.86Å; A56-G58 PolarHBondContact O-N 3.02Å
59	F	94.2	Very high	95.9	Very high	20 Å²	20	56.1 Å²	56.1	9%	0.088	30%	0.301	C	S	.	.			trans	-84.6	126.7	176.3	-59.8	-75.2	0	0	0	112	M54 R55 L57 V61 V90 W93 I94 R97	M54-F59 HydrophobicContact CB-CB 4.38Å; M54-F59 VanDerWaalsContact O-CB 3.31Å; M54-F59 WeakPolarHBondContact O-CB 3.25Å; M54-F59 WeakPolarHBondContact O-CD2 3.35Å; M54-F59 PolarHBondContact O-N 2.97Å; R55-F59 WeakPolarHBondContact CA-O 3.39Å; L57-F59 HydrophobicContact CB-CD2 3.81Å; L57-F59 HydrophobicContact CB-CE2 3.85Å; F59-V61 VanDerWaalsContact C-N 3.34Å; F59-V61 HydrophobicContact CB-CG1 4Å; F59-V61 PolarHBondContact O-N 3.49Å; F59-V90 HydrophobicContact CE2-CG1 3.97Å; F59-V90 HydrophobicContact CZ-CG1 4.48Å; F59-W93 HydrophobicContact CB-CE3 4.36Å; F59-W93 HydrophobicContact CB-CZ3 4.41Å; F59-W93 HydrophobicContact CD1-CB 4.42Å; F59-W93 AromaticContact CD1-CE3 3.73Å; F59-W93 HydrophobicContact CD1-CE3 3.73Å; F59-W93 HydrophobicContact CD1-CZ3 4.47Å; F59-W93 HydrophobicContact CE1-CB 3.71Å; F59-W93 HydrophobicContact CE1-CE3 4.18Å; F59-W93 HydrophobicContact CG-CE3 4.07Å; F59-W93 HydrophobicContact CZ-CB 3.84Å; F59-I94 HydrophobicContact CE2-CG1 4.33Å; F59-I94 HydrophobicContact CZ-CG1 3.69Å; F59-R97 HydrophobicContact CE1-CG 4.39Å
60	D	91.5	Very high	95.9	Very high	132 Å²	132	56.3 Å²	56.3	71%	0.706	30%	0.302	S	S	*	.			trans	-79	83.1	168.5	-174.5	22	0	0	0	110.9
61	V	95.5	Very high	95.8	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.338	C	S	.	.			trans	-88.6	133.6	179.3	-68.3	0	0	0	0	113.1	K51 M54 R55 F59 V66 W93	K51-V61 HydrophobicContact CG-CG2 4.09Å; M54-V61 HydrophobicContact CB-CG1 3.75Å; M54-V61 HydrophobicContact CB-CG2 3.95Å; M54-V61 HydrophobicContact CE-CG1 3.61Å; M54-V61 HydrophobicContact CG-CG1 4.38Å; M54-V61 HydrophobicContact SD-CG1 3.75Å; R55-V61 HydrophobicContact CG-CG2 3.87Å; F59-V61 VanDerWaalsContact C-N 3.34Å; F59-V61 HydrophobicContact CB-CG1 4Å; F59-V61 PolarHBondContact O-N 3.49Å; V61-V66 HydrophobicContact CB-CG2 4.32Å; V61-V66 HydrophobicContact CG2-CG2 4.34Å; V61-W93 HydrophobicContact CG1-CH2 3.98Å; V61-W93 HydrophobicContact CG1-CZ3 3.63Å
62	K	96	Very high	95.7	Very high	139 Å²	139	66.4 Å²	66.4	60%	0.604	35%	0.35	S	S	*	.			trans	-95.4	163.4	172	-58.5	173.9	-176.5	169.2	0	110.2	A64 D65 V66	K62-A64 PolarHBondContact O-N 3.09Å; K62-A64 VanDerWaalsContact O-N 3.17Å; K62-D65 WeakPolarHBondContact CA-OD2 3.48Å; K62-D65 VanDerWaalsContact CB-OD2 3.28Å; K62-D65 WeakPolarHBondContact CB-OD2 3.39Å; K62-D65 PolarHBondContact N-OD2 2.94Å; K62-D65 PolarHBondContact O-N 3.23Å; K62-V66 PolarHBondContact O-N 3.1Å
63	K	96.9	Very high	95.7	Very high	135 Å²	135	65 Å²	65	59%	0.587	34%	0.338	S	S	*	.	H	α-helix	trans	-52	-39.7	175.6	171.8	170.1	-179	-179.8	0	112.6	Y47 D65 L67	Y47-K63 HydrophobicContact CE2-CG 4.41Å; Y47-K63 WeakPolarHBondContact OH-CG 3.47Å; K63-D65 VanDerWaalsContact C-N 3.32Å; K63-D65 PolarHBondContact O-N 2.84Å; K63-L67 HydrophobicContact CG-CD1 3.89Å; K63-L67 HydrophobicContact CG-CG 4.34Å; K63-L67 VanDerWaalsContact O-CG 3.31Å; K63-L67 WeakPolarHBondContact O-CG 3.31Å; K63-L67 PolarHBondContact O-N 3.45Å; K63-L67 VanDerWaalsContact O-N 3.1Å
64	A	97.5	Very high	95.6	Very high	69 Å²	69	66.3 Å²	66.3	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-65.3	-35.8	-178.9	0	0	0	0	0	112.5	K62 K68	K62-A64 PolarHBondContact O-N 3.09Å; K62-A64 VanDerWaalsContact O-N 3.17Å; A64-K68 VanDerWaalsContact O-CB 3.32Å; A64-K68 WeakPolarHBondContact O-CB 3.28Å; A64-K68 PolarHBondContact O-N 3.39Å
65	D	96.2	Very high	95.2	Very high	52 Å²	52	76 Å²	76	28%	0.278	38%	0.382	S	S	.	.	H	α-helix	trans	-68.8	-47.4	-179.6	-50.8	-48.2	0	0	0	110.5	K62 K63 L67 K68 I69 W93	K62-D65 WeakPolarHBondContact CA-OD2 3.48Å; K62-D65 VanDerWaalsContact CB-OD2 3.28Å; K62-D65 WeakPolarHBondContact CB-OD2 3.39Å; K62-D65 PolarHBondContact N-OD2 2.94Å; K62-D65 PolarHBondContact O-N 3.23Å; K63-D65 VanDerWaalsContact C-N 3.32Å; K63-D65 PolarHBondContact O-N 2.84Å; D65-L67 PolarHBondContact O-N 3.09Å; D65-K68 WeakPolarHBondContact O-CB 3.47Å; D65-K68 PolarHBondContact O-N 3.48Å; D65-K68 VanDerWaalsContact O-N 3.15Å; D65-I69 WeakPolarHBondContact O-CG1 3.39Å; D65-I69 PolarHBondContact O-N 3.01Å; D65-W93 HydrophobicContact CB-CH2 3.95Å; D65-W93 HydrophobicContact CB-CZ2 4.43Å
66	V	97.7	Very high	94.9	Very high	0 Å²	0	78.2 Å²	78.2	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-61.2	-45.8	178.1	-175.3	0	0	0	0	111.2	Y47 L50 K51 V61 K62 K68 I69 L70	Y47-V66 HydrophobicContact CD2-CB 4.07Å; Y47-V66 HydrophobicContact CD2-CG1 3.38Å; Y47-V66 HydrophobicContact CE2-CB 3.79Å; Y47-V66 HydrophobicContact CE2-CG1 3.61Å; Y47-V66 HydrophobicContact CG-CG1 4.11Å; L50-V66 HydrophobicContact CB-CG1 4.34Å; L50-V66 HydrophobicContact CD2-CG1 3.81Å; L50-V66 HydrophobicContact CG-CG1 4.07Å; K51-V66 HydrophobicContact CB-CG2 4.01Å; K51-V66 HydrophobicContact CG-CG2 4.15Å; V61-V66 HydrophobicContact CB-CG2 4.32Å; V61-V66 HydrophobicContact CG2-CG2 4.34Å; K62-V66 PolarHBondContact O-N 3.1Å; V66-K68 VanDerWaalsContact C-N 3.28Å; V66-K68 PolarHBondContact O-N 3.49Å; V66-I69 PolarHBondContact O-N 3.38Å; V66-L70 WeakPolarHBondContact O-CG 3.5Å; V66-L70 PolarHBondContact O-N 2.95Å
67	L	96.9	Very high	94.8	Very high	84 Å²	84	79.3 Å²	79.3	44%	0.44	41%	0.407	S	S	.	.	H	α-helix	trans	-64	-34	177	-71.3	176.7	0	0	0	112.6	Y47 K63 D65 K71	Y47-L67 HydrophobicContact CD2-CD2 3.92Å; Y47-L67 HydrophobicContact CD2-CG 4.42Å; Y47-L67 HydrophobicContact CE2-CD2 3.94Å; Y47-L67 HydrophobicContact CE2-CG 4.02Å; K63-L67 HydrophobicContact CG-CD1 3.89Å; K63-L67 HydrophobicContact CG-CG 4.34Å; K63-L67 VanDerWaalsContact O-CG 3.31Å; K63-L67 WeakPolarHBondContact O-CG 3.31Å; K63-L67 PolarHBondContact O-N 3.45Å; K63-L67 VanDerWaalsContact O-N 3.1Å; D65-L67 PolarHBondContact O-N 3.09Å; L67-K71 VanDerWaalsContact O-CB 3.29Å; L67-K71 WeakPolarHBondContact O-CB 3.4Å; L67-K71 PolarHBondContact O-N 2.97Å
68	K	96.7	Very high	94.7	Very high	134 Å²	134	82.1 Å²	82.1	58%	0.583	43%	0.425	S	S	*	.	H	α-helix	trans	-68.1	-44.5	175.6	-177.5	-174.8	172.9	-164.1	0	110.8	A64 D65 V66 K71 D72	A64-K68 VanDerWaalsContact O-CB 3.32Å; A64-K68 WeakPolarHBondContact O-CB 3.28Å; A64-K68 PolarHBondContact O-N 3.39Å; D65-K68 WeakPolarHBondContact O-CB 3.47Å; D65-K68 PolarHBondContact O-N 3.48Å; D65-K68 VanDerWaalsContact O-N 3.15Å; V66-K68 VanDerWaalsContact C-N 3.28Å; V66-K68 PolarHBondContact O-N 3.49Å; K68-K71 PolarHBondContact O-N 2.71Å; K68-D72 WeakPolarHBondContact O-CB 3.42Å; K68-D72 VanDerWaalsContact O-CG 3.27Å; K68-D72 PolarHBondContact O-N 2.66Å
69	I	97	Very high	94.9	Very high	10 Å²	10	81.1 Å²	81.1	5%	0.051	42%	0.415	C	S	.	.	H	α-helix	trans	-58.1	-52.4	176.6	-68.7	159.7	0	0	0	110.3	L50 M54 D65 V66 K71 D72 Y73 I81 V89 W93	L50-I69 HydrophobicContact CD2-CB 4.12Å; L50-I69 HydrophobicContact CD2-CG2 3.71Å; M54-I69 HydrophobicContact CE-CD1 3.85Å; M54-I69 HydrophobicContact SD-CD1 3.55Å; M54-I69 VanDerWaalsContact SD-CD1 3.55Å; D65-I69 WeakPolarHBondContact O-CG1 3.39Å; D65-I69 PolarHBondContact O-N 3.01Å; V66-I69 PolarHBondContact O-N 3.38Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.06Å; I69-D72 PolarHBondContact O-N 3.36Å; I69-Y73 HydrophobicContact CG2-CD2 4.26Å; I69-Y73 WeakPolarHBondContact O-CD2 3.44Å; I69-Y73 PolarHBondContact O-N 3.42Å; I69-I81 HydrophobicContact CG2-CD1 4.04Å; I69-V89 HydrophobicContact CD1-CG1 3.75Å; I69-V89 HydrophobicContact CG1-CG1 3.95Å; I69-V89 HydrophobicContact CG2-CG1 4.2Å; I69-V89 HydrophobicContact CG2-CG2 3.83Å; I69-W93 HydrophobicContact CD1-CZ2 4.3Å
70	L	96.5	Very high	95	Very high	19 Å²	19	82.1 Å²	82.1	10%	0.099	42%	0.419	C	S	.	.	H	α-helix	trans	-56.3	-47	177.3	-68.6	175	0	0	0	111	Y47 L50 V66 D72 Y73 D74 I81	Y47-L70 HydrophobicContact CD2-CD1 4.01Å; Y47-L70 HydrophobicContact CG-CD1 4.39Å; L50-L70 HydrophobicContact CD2-CD2 4.15Å; L50-L70 HydrophobicContact CD2-CG 4.26Å; V66-L70 WeakPolarHBondContact O-CG 3.5Å; V66-L70 PolarHBondContact O-N 2.95Å; L70-D72 VanDerWaalsContact C-N 3.26Å; L70-D72 PolarHBondContact O-N 3.31Å; L70-Y73 PolarHBondContact O-N 3.38Å; L70-D74 WeakPolarHBondContact O-CA 3.16Å; L70-D74 WeakPolarHBondContact O-CB 3.49Å; L70-D74 PolarHBondContact O-N 3.1Å; L70-I81 HydrophobicContact CD2-CG2 3.94Å
71	K	95.2	Very high	95.3	Very high	176 Å²	176	76 Å²	76	77%	0.765	39%	0.386	S	S	*	.	H	α-helix	trans	-59.5	-36.1	177.9	-176.5	-175.4	175.3	-173.7	0	113.5	L67 K68 I69	L67-K71 VanDerWaalsContact O-CB 3.29Å; L67-K71 WeakPolarHBondContact O-CB 3.4Å; L67-K71 PolarHBondContact O-N 2.97Å; K68-K71 PolarHBondContact O-N 2.71Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.06Å
72	D	95.5	Very high	95.3	Very high	90 Å²	90	78.6 Å²	78.6	48%	0.481	40%	0.402	S	S	.	.	H	α-helix	trans	-83.2	-27.7	-175	-70.4	-16.1	0	0	0	112.3	K68 I69 L70	K68-D72 WeakPolarHBondContact O-CB 3.42Å; K68-D72 VanDerWaalsContact O-CG 3.27Å; K68-D72 PolarHBondContact O-N 2.66Å; I69-D72 PolarHBondContact O-N 3.36Å; L70-D72 VanDerWaalsContact C-N 3.26Å; L70-D72 PolarHBondContact O-N 3.31Å
73	Y	95.5	Very high	95.3	Very high	35 Å²	35	74.9 Å²	74.9	14%	0.137	39%	0.386	C	S	.	.	H	α-helix	trans	-113.6	-31.2	-173	-72	-94	0	0	0	114.7	I69 L70 R75 D85 E88 V89	I69-Y73 HydrophobicContact CG2-CD2 4.26Å; I69-Y73 WeakPolarHBondContact O-CD2 3.44Å; I69-Y73 PolarHBondContact O-N 3.42Å; L70-Y73 PolarHBondContact O-N 3.38Å; Y73-R75 VanDerWaalsContact C-N 3.29Å; Y73-R75 PolarHBondContact O-N 2.84Å; Y73-D85 HydrophobicContact CD1-CB 3.79Å; Y73-D85 HydrophobicContact CG-CB 4.27Å; Y73-E88 HydrophobicContact CE1-CB 4.3Å; Y73-E88 HydrophobicContact CE1-CG 4.32Å; Y73-E88 PolarHBondContact OH-OE1 3.49Å; Y73-V89 HydrophobicContact CD1-CG2 4.28Å; Y73-V89 HydrophobicContact CD2-CG2 3.66Å; Y73-V89 HydrophobicContact CE1-CG2 4.01Å; Y73-V89 HydrophobicContact CE2-CG2 3.35Å; Y73-V89 HydrophobicContact CG-CG2 4.14Å
74	D	94.5	Very high	95.3	Very high	27 Å²	27	74.5 Å²	74.5	14%	0.144	39%	0.386	C	S	.	.			trans	-78	75.4	174.6	178.2	22.7	0	0	0	111.2	L70 E76 A77 T78 G79 K80 I81	L70-D74 WeakPolarHBondContact O-CA 3.16Å; L70-D74 WeakPolarHBondContact O-CB 3.49Å; L70-D74 PolarHBondContact O-N 3.1Å; D74-E76 PolarHBondContact O-N 3.3Å; D74-A77 PolarHBondContact O-N 2.81Å; D74-A77 PolarHBondContact OD1-N 2.89Å; D74-A77 VanDerWaalsContact OD2-C 3.31Å; D74-A77 VanDerWaalsContact OD2-CA 3.26Å; D74-A77 WeakPolarHBondContact OD2-CA 3.39Å; D74-T78 VanDerWaalsContact CG-N 3.31Å; D74-T78 PolarHBondContact OD1-N 2.96Å; D74-T78 PolarHBondContact OD1-OG1 3.08Å; D74-T78 PolarHBondContact OD2-N 3.31Å; D74-G79 WeakPolarHBondContact OD2-CA 3.21Å; D74-G79 PolarHBondContact OD2-N 3.16Å; D74-K80 WeakPolarHBondContact CB-O 3.12Å; D74-I81 HydrophobicContact CB-CG2 4.3Å
75	R	89.4	Confident	95.2	Very high	204 Å²	204	72.4 Å²	72.4	77%	0.77	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.7	-176.7	-63.2	173.6	-167.3	150.1	9.8	113	Y73	Y73-R75 VanDerWaalsContact C-N 3.29Å; Y73-R75 PolarHBondContact O-N 2.84Å
76	E	90.1	Very high	95.3	Very high	170 Å²	170	70 Å²	70	79%	0.794	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-0	-175.9	-61.6	-170.6	175.8	0	0	113	D74 T78	D74-E76 PolarHBondContact O-N 3.3Å; E76-T78 HydrophobicContact CB-CG2 3.78Å; E76-T78 PolarHBondContact O-N 3.08Å
77	A	91.3	Very high	95.2	Very high	89 Å²	89	72.3 Å²	72.3	74%	0.736	37%	0.365	S	S	*	.			trans	56.4	38.3	-177.6	0	0	0	0	0	113	D74 G79	D74-A77 PolarHBondContact O-N 2.81Å; D74-A77 PolarHBondContact OD1-N 2.89Å; D74-A77 VanDerWaalsContact OD2-C 3.31Å; D74-A77 VanDerWaalsContact OD2-CA 3.26Å; D74-A77 WeakPolarHBondContact OD2-CA 3.39Å; A77-G79 VanDerWaalsContact C-N 3.32Å
78	T	93.7	Very high	95.2	Very high	85 Å²	85	72 Å²	72	52%	0.521	36%	0.361	S	S	.	.			trans	-76.3	-21.7	177.4	62.6	0	0	0	0	112.5	D74 E76 K80	D74-T78 VanDerWaalsContact CG-N 3.31Å; D74-T78 PolarHBondContact OD1-N 2.96Å; D74-T78 PolarHBondContact OD1-OG1 3.08Å; D74-T78 PolarHBondContact OD2-N 3.31Å; E76-T78 HydrophobicContact CB-CG2 3.78Å; E76-T78 PolarHBondContact O-N 3.08Å; T78-K80 VanDerWaalsContact C-N 3.32Å; T78-K80 PolarHBondContact OG1-N 2.94Å; T78-K80 VanDerWaalsContact OG1-N 3.09Å; T78-K80 PolarHBondContact OG1-O 2.89Å
79	G	94.7	Very high	95.1	Very high	34 Å²	34	65.8 Å²	65.8	35%	0.351	33%	0.334	S	S	.	.	S	Bend	trans	83.4	3.8	-168.3	0	0	0	0	0	114.1	D74 A77	D74-G79 WeakPolarHBondContact OD2-CA 3.21Å; D74-G79 PolarHBondContact OD2-N 3.16Å; A77-G79 VanDerWaalsContact C-N 3.32Å
80	K	96.8	Very high	95.1	Very high	41 Å²	41	65.3 Å²	65.3	18%	0.178	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	162.2	-175.2	-58.5	-166.6	168.1	-158.6	0	111.8	D40 D42 A44 I45 D46 D74 T78	D40-K80 IonicContact OD1-NZ 2.81Å; D40-K80 IonicContact OD2-NZ 2.66Å; D40-K80 PolarHBondContact OD2-NZ 3.21Å; D42-K80 IonicContact OD1-NZ 2.84Å; D42-K80 PolarHBondContact OD1-NZ 3.27Å; D42-K80 VanDerWaalsContact OD1-NZ 3.11Å; D42-K80 WeakPolarHBondContact OD2-CD 3.46Å; D42-K80 WeakPolarHBondContact OD2-CE 3.42Å; D42-K80 IonicContact OD2-NZ 3.42Å; D42-K80 PolarHBondContact OD2-NZ 2.96Å; A44-K80 HydrophobicContact CB-CB 3.9Å; A44-K80 HydrophobicContact CB-CD 4.02Å; I45-K80 VanDerWaalsContact O-CA 3.29Å; I45-K80 WeakPolarHBondContact O-CA 3.27Å; D46-K80 HydrophobicContact CB-CG 4.07Å; D74-K80 WeakPolarHBondContact CB-O 3.12Å; T78-K80 VanDerWaalsContact C-N 3.32Å; T78-K80 PolarHBondContact OG1-N 2.94Å; T78-K80 VanDerWaalsContact OG1-N 3.09Å; T78-K80 PolarHBondContact OG1-O 2.89Å
81	I	97.1	Very high	95	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.9	170.8	62	168.7	0	0	0	110.3	A44 I45 L50 I69 L70 D74 D85 F86	A44-I81 CarbonylContact C-O 3.53Å; A44-I81 WeakPolarHBondContact CA-O 3.5Å; A44-I81 WeakPolarHBondContact CB-O 3.28Å; I45-I81 HydrophobicContact CD1-CG1 4.4Å; I45-I81 HydrophobicContact CG1-CD1 4.43Å; I45-I81 HydrophobicContact CG1-CG1 3.78Å; I45-I81 PolarHBondContact N-O 3.29Å; I45-I81 PolarHBondContact O-N 3.38Å; L50-I81 HydrophobicContact CD1-CD1 4.02Å; L50-I81 HydrophobicContact CD2-CD1 4.03Å; I69-I81 HydrophobicContact CG2-CD1 4.04Å; L70-I81 HydrophobicContact CD2-CG2 3.94Å; D74-I81 HydrophobicContact CB-CG2 4.3Å; I81-D85 HydrophobicContact CB-CB 3.87Å; I81-D85 HydrophobicContact CD1-CB 4.42Å; I81-D85 HydrophobicContact CG2-CB 4.5Å; I81-F86 HydrophobicContact CD1-CB 4.14Å
82	T	96.5	Very high	95	Very high	55 Å²	55	58 Å²	58	34%	0.337	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	173.7	179.6	75.1	0	0	0	0	111.7	E84 D85 F86	T82-E84 VanDerWaalsContact C-N 3.29Å; T82-E84 WeakPolarHBondContact CB-OE2 3.33Å; T82-E84 PolarHBondContact O-N 3.15Å; T82-E84 PolarHBondContact OG1-N 3.33Å; T82-E84 PolarHBondContact OG1-OE2 3.33Å; T82-D85 PolarHBondContact N-OD2 3.38Å; T82-D85 PolarHBondContact O-N 2.97Å; T82-F86 PolarHBondContact O-N 3.46Å
83	F	96.5	Very high	94.9	Very high	62 Å²	62	57 Å²	57	27%	0.272	29%	0.292	S	S	.	.	H	α-helix	trans	-57.1	-40.6	171.8	174.4	-109.9	0	0	0	112.7	I30 K31 F34 D85 F86 N87	I30-F83 HydrophobicContact CG2-CE2 4.33Å; K31-F83 HydrophobicContact CB-CE2 4.24Å; K31-F83 HydrophobicContact CB-CZ 4.28Å; K31-F83 HydrophobicContact CG-CE2 4.46Å; K31-F83 HydrophobicContact CG-CZ 4.48Å; F34-F83 HydrophobicContact CB-CD2 3.83Å; F34-F83 HydrophobicContact CB-CE2 4.23Å; F34-F83 HydrophobicContact CD1-CB 4.15Å; F34-F83 AromaticContact CD1-CD2 3.91Å; F34-F83 HydrophobicContact CD1-CD2 3.91Å; F34-F83 HydrophobicContact CD1-CG 4.43Å; F34-F83 HydrophobicContact CD2-CB 4.29Å; F34-F83 AromaticContact CD2-CD2 3.97Å; F34-F83 HydrophobicContact CD2-CD2 3.97Å; F34-F83 HydrophobicContact CE1-CB 3.88Å; F34-F83 HydrophobicContact CE1-CD2 4.5Å; F34-F83 VanDerWaalsContact CE2-CA 3.47Å; F34-F83 HydrophobicContact CE2-CB 4.01Å; F34-F83 HydrophobicContact CG-CB 4.35Å; F34-F83 AromaticContact CG-CD2 3.62Å; F34-F83 HydrophobicContact CG-CD2 3.62Å; F34-F83 HydrophobicContact CG-CE2 4.49Å; F34-F83 HydrophobicContact CG-CG 4.46Å; F34-F83 HydrophobicContact CZ-CB 3.81Å; F83-D85 VanDerWaalsContact C-N 3.33Å; F83-D85 PolarHBondContact O-N 2.87Å; F83-F86 PolarHBondContact O-N 3.31Å; F83-N87 HydrophobicContact CE1-CB 4.4Å; F83-N87 HydrophobicContact CE2-CB 4.23Å; F83-N87 HydrophobicContact CZ-CB 4.1Å; F83-N87 WeakPolarHBondContact O-CB 3.46Å; F83-N87 PolarHBondContact O-N 3.13Å
84	E	95.9	Very high	94.7	Very high	126 Å²	126	56.1 Å²	56.1	59%	0.589	29%	0.289	S	S	*	.	H	α-helix	trans	-61	-43.6	179.9	-65.4	74.8	-162.8	0	0	111.8	T82 E88	T82-E84 VanDerWaalsContact C-N 3.29Å; T82-E84 WeakPolarHBondContact CB-OE2 3.33Å; T82-E84 PolarHBondContact O-N 3.15Å; T82-E84 PolarHBondContact OG1-N 3.33Å; T82-E84 PolarHBondContact OG1-OE2 3.33Å; E84-E88 PolarHBondContact O-N 2.9Å
85	D	96.5	Very high	94.5	Very high	26 Å²	26	56.2 Å²	56.2	14%	0.139	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-46.7	176.9	-68.5	-35.9	0	0	0	111	Y73 I81 T82 F83 E88 V89	Y73-D85 HydrophobicContact CD1-CB 3.79Å; Y73-D85 HydrophobicContact CG-CB 4.27Å; I81-D85 HydrophobicContact CB-CB 3.87Å; I81-D85 HydrophobicContact CD1-CB 4.42Å; I81-D85 HydrophobicContact CG2-CB 4.5Å; T82-D85 PolarHBondContact N-OD2 3.38Å; T82-D85 PolarHBondContact O-N 2.97Å; F83-D85 VanDerWaalsContact C-N 3.33Å; F83-D85 PolarHBondContact O-N 2.87Å; D85-E88 PolarHBondContact O-N 3.01Å; D85-V89 VanDerWaalsContact O-CG2 3.29Å; D85-V89 WeakPolarHBondContact O-CG2 3.35Å; D85-V89 PolarHBondContact O-N 3.07Å
86	F	97	Very high	94.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60	-47.4	177	177.6	-106.4	0	0	0	111.8	I30 F34 I45 L50 A53 M54 L57 I81 T82 F83 E88 V89 V90	I30-F86 HydrophobicContact CG2-CD1 3.95Å; I30-F86 HydrophobicContact CG2-CE1 3.81Å; I30-F86 WeakPolarHBondContact O-CE1 3.21Å; F34-F86 HydrophobicContact CB-CD1 3.85Å; F34-F86 HydrophobicContact CB-CE1 3.87Å; F34-F86 HydrophobicContact CD2-CB 3.84Å; F34-F86 AromaticContact CD2-CD1 3.64Å; F34-F86 HydrophobicContact CD2-CD1 3.64Å; F34-F86 HydrophobicContact CD2-CE1 4.33Å; F34-F86 AromaticContact CD2-CG 3.81Å; F34-F86 HydrophobicContact CD2-CG 3.81Å; F34-F86 HydrophobicContact CE2-CB 4.14Å; F34-F86 HydrophobicContact CG-CD1 4.21Å; I45-F86 HydrophobicContact CD1-CB 4.15Å; I45-F86 HydrophobicContact CD1-CD2 3.45Å; I45-F86 VanDerWaalsContact CD1-CD2 3.45Å; I45-F86 HydrophobicContact CD1-CE2 3.9Å; I45-F86 HydrophobicContact CD1-CG 3.85Å; L50-F86 HydrophobicContact CD1-CD2 3.62Å; L50-F86 HydrophobicContact CD1-CE2 3.8Å; A53-F86 HydrophobicContact CB-CE2 3.96Å; A53-F86 HydrophobicContact CB-CZ 3.84Å; M54-F86 HydrophobicContact CG-CE2 4.15Å; L57-F86 HydrophobicContact CD1-CE1 4.32Å; L57-F86 HydrophobicContact CD1-CZ 3.81Å; I81-F86 HydrophobicContact CD1-CB 4.14Å; T82-F86 PolarHBondContact O-N 3.46Å; F83-F86 PolarHBondContact O-N 3.31Å; F86-E88 VanDerWaalsContact C-N 3.31Å; F86-E88 PolarHBondContact O-N 3.12Å; F86-V89 PolarHBondContact O-N 2.84Å; F86-V90 HydrophobicContact CD1-CG2 4.29Å; F86-V90 HydrophobicContact CD2-CG2 3.89Å; F86-V90 HydrophobicContact CE1-CG2 3.97Å; F86-V90 HydrophobicContact CE2-CG2 3.55Å; F86-V90 HydrophobicContact CG-CG2 4.28Å; F86-V90 HydrophobicContact CZ-CG2 3.61Å; F86-V90 WeakPolarHBondContact O-CB 3.3Å; F86-V90 WeakPolarHBondContact O-CG2 3.49Å; F86-V90 PolarHBondContact O-N 3.47Å
87	N	96.5	Very high	94.6	Very high	49 Å²	49	49 Å²	49	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-40	178.2	176.4	71.6	0	0	0	111.5	I30 F83 T91	I30-N87 HydrophobicContact CG2-CB 4.23Å; F83-N87 HydrophobicContact CE1-CB 4.4Å; F83-N87 HydrophobicContact CE2-CB 4.23Å; F83-N87 HydrophobicContact CZ-CB 4.1Å; F83-N87 WeakPolarHBondContact O-CB 3.46Å; F83-N87 PolarHBondContact O-N 3.13Å; N87-T91 WeakPolarHBondContact O-CB 3.36Å; N87-T91 PolarHBondContact O-N 2.89Å; N87-T91 PolarHBondContact O-OG1 3.49Å
88	E	95.7	Very high	94.5	Very high	78 Å²	78	48.8 Å²	48.8	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-49.4	174.8	-171.7	-175.2	132.7	0	0	111.7	Y73 E84 D85 F86 T91 D92	Y73-E88 HydrophobicContact CE1-CB 4.3Å; Y73-E88 HydrophobicContact CE1-CG 4.32Å; Y73-E88 PolarHBondContact OH-OE1 3.49Å; E84-E88 PolarHBondContact O-N 2.9Å; D85-E88 PolarHBondContact O-N 3.01Å; F86-E88 VanDerWaalsContact C-N 3.31Å; F86-E88 PolarHBondContact O-N 3.12Å; E88-T91 PolarHBondContact O-N 3.42Å; E88-D92 PolarHBondContact O-N 3.25Å
89	V	95.9	Very high	94.2	Very high	3 Å²	3	48 Å²	48	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-59.3	-51.1	-179.6	169.7	0	0	0	0	110.9	M54 I69 Y73 D85 F86 D92 W93	M54-V89 HydrophobicContact CE-CG1 4.32Å; I69-V89 HydrophobicContact CD1-CG1 3.75Å; I69-V89 HydrophobicContact CG1-CG1 3.95Å; I69-V89 HydrophobicContact CG2-CG1 4.2Å; I69-V89 HydrophobicContact CG2-CG2 3.83Å; Y73-V89 HydrophobicContact CD1-CG2 4.28Å; Y73-V89 HydrophobicContact CD2-CG2 3.66Å; Y73-V89 HydrophobicContact CE1-CG2 4.01Å; Y73-V89 HydrophobicContact CE2-CG2 3.35Å; Y73-V89 HydrophobicContact CG-CG2 4.14Å; D85-V89 VanDerWaalsContact O-CG2 3.29Å; D85-V89 WeakPolarHBondContact O-CG2 3.35Å; D85-V89 PolarHBondContact O-N 3.07Å; F86-V89 PolarHBondContact O-N 2.84Å; V89-D92 PolarHBondContact O-N 3.46Å; V89-W93 PolarHBondContact O-N 3.23Å; V89-W93 VanDerWaalsContact O-N 3.09Å
90	V	96.4	Very high	94	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.6	-38.8	-176.9	175.7	0	0	0	0	111	I30 L57 F59 F86 D92 W93 I94	I30-V90 HydrophobicContact CD1-CB 4.3Å; I30-V90 HydrophobicContact CD1-CG1 3.81Å; I30-V90 HydrophobicContact CG1-CB 4.37Å; I30-V90 HydrophobicContact CG1-CG1 3.63Å; I30-V90 HydrophobicContact CG2-CB 4.43Å; I30-V90 HydrophobicContact CG2-CG1 4.46Å; L57-V90 HydrophobicContact CD1-CG1 3.73Å; L57-V90 HydrophobicContact CD1-CG2 4.1Å; F59-V90 HydrophobicContact CE2-CG1 3.97Å; F59-V90 HydrophobicContact CZ-CG1 4.48Å; F86-V90 HydrophobicContact CD1-CG2 4.29Å; F86-V90 HydrophobicContact CD2-CG2 3.89Å; F86-V90 HydrophobicContact CE1-CG2 3.97Å; F86-V90 HydrophobicContact CE2-CG2 3.55Å; F86-V90 HydrophobicContact CG-CG2 4.28Å; F86-V90 HydrophobicContact CZ-CG2 3.61Å; F86-V90 WeakPolarHBondContact O-CB 3.3Å; F86-V90 WeakPolarHBondContact O-CG2 3.49Å; F86-V90 PolarHBondContact O-N 3.47Å; V90-D92 PolarHBondContact O-N 3.32Å; V90-W93 PolarHBondContact O-N 3.21Å; V90-W93 VanDerWaalsContact O-N 3.17Å; V90-I94 HydrophobicContact CG1-CD1 3.89Å; V90-I94 HydrophobicContact CG1-CG1 4.11Å; V90-I94 WeakPolarHBondContact O-CG1 3.35Å; V90-I94 PolarHBondContact O-N 2.84Å
91	T	95.2	Very high	93.8	Very high	24 Å²	24	53.3 Å²	53.3	15%	0.147	26%	0.26	C	S	.	.	H	α-helix	trans	-57.4	-49.2	173.3	-65.5	0	0	0	0	111	L22 N87 E88 W93 I94 L95	L22-T91 HydrophobicContact CD1-CG2 3.87Å; L22-T91 WeakPolarHBondContact CD1-OG1 3.33Å; L22-T91 HydrophobicContact CD2-CG2 4.46Å; L22-T91 HydrophobicContact CG-CG2 3.98Å; N87-T91 WeakPolarHBondContact O-CB 3.36Å; N87-T91 PolarHBondContact O-N 2.89Å; N87-T91 PolarHBondContact O-OG1 3.49Å; E88-T91 PolarHBondContact O-N 3.42Å; T91-W93 VanDerWaalsContact C-N 3.25Å; T91-W93 PolarHBondContact O-N 3.33Å; T91-I94 PolarHBondContact O-N 3.21Å; T91-L95 HydrophobicContact CG2-CD1 3.87Å; T91-L95 HydrophobicContact CG2-CG 4.28Å; T91-L95 WeakPolarHBondContact O-CB 3.32Å; T91-L95 WeakPolarHBondContact O-CG 3.48Å; T91-L95 PolarHBondContact O-N 2.99Å
92	D	93.5	Very high	93.6	Very high	17 Å²	17	55.3 Å²	55.3	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-56.1	-43.7	177.5	-83.8	19.6	0	0	0	110.7	K13 K17 E88 V89 V90 L95 E96	K13-D92 IonicContact NZ-OD2 3.11Å; K13-D92 PolarHBondContact NZ-OD2 3.44Å; K17-D92 WeakPolarHBondContact CE-OD1 3.31Å; K17-D92 IonicContact NZ-OD1 3.59Å; K17-D92 PolarHBondContact NZ-OD1 3.39Å; E88-D92 PolarHBondContact O-N 3.25Å; V89-D92 PolarHBondContact O-N 3.46Å; V90-D92 PolarHBondContact O-N 3.32Å; D92-L95 PolarHBondContact O-N 3.47Å; D92-E96 WeakPolarHBondContact O-CG 3.26Å; D92-E96 PolarHBondContact O-N 3.5Å; D92-E96 VanDerWaalsContact O-N 3.08Å
93	W	93.9	Very high	93.5	Very high	70 Å²	70	53.5 Å²	53.5	27%	0.265	26%	0.258	S	S	.	.	H	α-helix	trans	-71.6	-38.6	-178.1	-76.2	41	0	0	0	113.6	M54 F59 V61 D65 I69 V89 V90 T91 L95 E96 R97	M54-W93 HydrophobicContact CE-CD2 3.85Å; M54-W93 HydrophobicContact CE-CE3 3.56Å; M54-W93 HydrophobicContact CE-CH2 3.93Å; M54-W93 HydrophobicContact CE-CZ2 4.17Å; M54-W93 HydrophobicContact CE-CZ3 3.62Å; F59-W93 HydrophobicContact CB-CE3 4.36Å; F59-W93 HydrophobicContact CB-CZ3 4.41Å; F59-W93 HydrophobicContact CD1-CB 4.42Å; F59-W93 AromaticContact CD1-CE3 3.73Å; F59-W93 HydrophobicContact CD1-CE3 3.73Å; F59-W93 HydrophobicContact CD1-CZ3 4.47Å; F59-W93 HydrophobicContact CE1-CB 3.71Å; F59-W93 HydrophobicContact CE1-CE3 4.18Å; F59-W93 HydrophobicContact CG-CE3 4.07Å; F59-W93 HydrophobicContact CZ-CB 3.84Å; V61-W93 HydrophobicContact CG1-CH2 3.98Å; V61-W93 HydrophobicContact CG1-CZ3 3.63Å; D65-W93 HydrophobicContact CB-CH2 3.95Å; D65-W93 HydrophobicContact CB-CZ2 4.43Å; I69-W93 HydrophobicContact CD1-CZ2 4.3Å; V89-W93 PolarHBondContact O-N 3.23Å; V89-W93 VanDerWaalsContact O-N 3.09Å; V90-W93 PolarHBondContact O-N 3.21Å; V90-W93 VanDerWaalsContact O-N 3.17Å; T91-W93 VanDerWaalsContact C-N 3.25Å; T91-W93 PolarHBondContact O-N 3.33Å; W93-L95 VanDerWaalsContact C-N 3.31Å; W93-E96 PolarHBondContact O-N 3.1Å; W93-R97 PolarHBondContact O-N 3.42Å
94	I	92.2	Very high	93.5	Very high	16 Å²	16	52.6 Å²	52.6	8%	0.082	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-43	173.5	-67.4	177.5	0	0	0	109.9	L22 I30 F59 V90 T91 E96 R97	L22-I94 HydrophobicContact CD1-CD1 4.39Å; L22-I94 HydrophobicContact CD2-CB 3.91Å; L22-I94 HydrophobicContact CD2-CD1 4.43Å; L22-I94 HydrophobicContact CD2-CG2 3.51Å; I30-I94 HydrophobicContact CD1-CD1 3.91Å; I30-I94 HydrophobicContact CG1-CD1 4.09Å; F59-I94 HydrophobicContact CE2-CG1 4.33Å; F59-I94 HydrophobicContact CZ-CG1 3.69Å; V90-I94 HydrophobicContact CG1-CD1 3.89Å; V90-I94 HydrophobicContact CG1-CG1 4.11Å; V90-I94 WeakPolarHBondContact O-CG1 3.35Å; V90-I94 PolarHBondContact O-N 2.84Å; T91-I94 PolarHBondContact O-N 3.21Å; I94-E96 PolarHBondContact O-N 3.27Å; I94-R97 WeakPolarHBondContact O-CB 3.45Å; I94-R97 PolarHBondContact O-N 3.39Å; I94-R97 VanDerWaalsContact O-N 3.12Å
95	L	90.5	Very high	93.4	Very high	30 Å²	30	51 Å²	51	16%	0.157	25%	0.247	C	C	.	.	H	α-helix	trans	-69.1	-23.9	-179.4	-66.1	-178.2	0	0	0	113.4	K17 R20 L22 T91 D92 W93	K17-L95 HydrophobicContact CG-CD1 4.38Å; R20-L95 HydrophobicContact CB-CD2 3.64Å; R20-L95 PolarHBondContact NH1-O 3.03Å; R20-L95 WeakPolarHBondContact O-CD1 3.32Å; R20-L95 WeakPolarHBondContact O-CD2 3.12Å; L22-L95 HydrophobicContact CD2-CD2 3.71Å; L22-L95 HydrophobicContact CD2-CG 4.08Å; T91-L95 HydrophobicContact CG2-CD1 3.87Å; T91-L95 HydrophobicContact CG2-CG 4.28Å; T91-L95 WeakPolarHBondContact O-CB 3.32Å; T91-L95 WeakPolarHBondContact O-CG 3.48Å; T91-L95 PolarHBondContact O-N 2.99Å; D92-L95 PolarHBondContact O-N 3.47Å; W93-L95 VanDerWaalsContact C-N 3.31Å
96	E	90.7	Very high	93.3	Very high	146 Å²	146	51.1 Å²	51.1	68%	0.682	25%	0.251	S	S	*	.	H	α-helix	trans	-78.8	-16.6	173	-76.1	178.9	-177	0	0	113.4	D92 W93 I94	D92-E96 WeakPolarHBondContact O-CG 3.26Å; D92-E96 PolarHBondContact O-N 3.5Å; D92-E96 VanDerWaalsContact O-N 3.08Å; W93-E96 PolarHBondContact O-N 3.1Å; I94-E96 PolarHBondContact O-N 3.27Å
97	R	89.7	Confident	93.3	Very high	77 Å²	77	51.4 Å²	51.4	29%	0.291	25%	0.252	S	S	.	.	S	Bend	trans	-65.7	136.9	175.5	-68.8	169	85.5	170.7	-4.4	110.9	R20 F59 W93 I94 P99 E102	R20-R97 PolarHBondContact NH1-O 3.31Å; R20-R97 VanDerWaalsContact NH1-O 3.13Å; F59-R97 HydrophobicContact CE1-CG 4.39Å; W93-R97 PolarHBondContact O-N 3.42Å; I94-R97 WeakPolarHBondContact O-CB 3.45Å; I94-R97 PolarHBondContact O-N 3.39Å; I94-R97 VanDerWaalsContact O-N 3.12Å; R97-P99 WeakPolarHBondContact O-CD 3.1Å; R97-E102 HydrophobicContact CB-CG 4.15Å; R97-E102 HydrophobicContact CG-CG 4.49Å; R97-E102 IonicContact CZ-OE2 2.9Å; R97-E102 IonicContact NE-OE1 3.03Å; R97-E102 PolarHBondContact NE-OE1 3.17Å; R97-E102 IonicContact NE-OE2 2.62Å; R97-E102 PolarHBondContact NE-OE2 3.08Å; R97-E102 VanDerWaalsContact NH2-CD 3.31Å; R97-E102 IonicContact NH2-OE2 2.8Å; R97-E102 PolarHBondContact NH2-OE2 3.35Å
98	D	89.1	Confident	93.3	Very high	84 Å²	84	55.7 Å²	55.7	45%	0.449	27%	0.269	S	S	.	.			trans	-83.5	112.8	166.4	-174.7	-15.2	0	0	0	108.6	H100 E101 E102	D98-H100 PolarHBondContact O-N 3.1Å; D98-H100 VanDerWaalsContact O-N 3.16Å; D98-H100 WeakPolarHBondContact OD1-CB 3.4Å; D98-H100 PolarHBondContact OD1-N 3.48Å; D98-E101 HydrophobicContact CB-CB 3.96Å; D98-E101 PolarHBondContact O-N 3.35Å; D98-E101 VanDerWaalsContact O-N 3.08Å; D98-E102 WeakPolarHBondContact O-CG 3.46Å; D98-E102 PolarHBondContact O-N 3.46Å; D98-E102 VanDerWaalsContact O-N 3.08Å
99	P	87.1	Confident	93.2	Very high	68 Å²	68	58.1 Å²	58.1	44%	0.442	28%	0.283	S	S	.	.	H	α-helix	trans	-53.3	-36.4	178.4	-25.1	35.3	0	0	0	113	R20 R97 E102 I103	R20-P99 VanDerWaalsContact NH2-CG 3.29Å; R97-P99 WeakPolarHBondContact O-CD 3.1Å; P99-E102 PolarHBondContact O-N 3.17Å; P99-I103 VanDerWaalsContact O-CG1 3.25Å; P99-I103 WeakPolarHBondContact O-CG1 3.35Å; P99-I103 PolarHBondContact O-N 3.31Å
100	H	91.1	Very high	93.3	Very high	90 Å²	90	60.3 Å²	60.3	42%	0.417	29%	0.293	S	S	.	.	H	α-helix	trans	-66.6	-44	179.8	-178.3	-90.1	0	0	0	111.1	D98 E102 I103 L104	D98-H100 PolarHBondContact O-N 3.1Å; D98-H100 VanDerWaalsContact O-N 3.16Å; D98-H100 WeakPolarHBondContact OD1-CB 3.4Å; D98-H100 PolarHBondContact OD1-N 3.48Å; H100-E102 VanDerWaalsContact C-N 3.28Å; H100-E102 PolarHBondContact O-N 3.06Å; H100-I103 PolarHBondContact O-N 2.83Å; H100-L104 WeakPolarHBondContact O-CG 3.44Å; H100-L104 PolarHBondContact O-N 2.96Å
101	E	93	Very high	93.4	Very high	97 Å²	97	60.6 Å²	60.6	45%	0.453	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-37.4	175.8	-163.9	-169.3	142	0	0	111.8	D98 L104 K105	D98-E101 HydrophobicContact CB-CB 3.96Å; D98-E101 PolarHBondContact O-N 3.35Å; D98-E101 VanDerWaalsContact O-N 3.08Å; E101-L104 PolarHBondContact O-N 3.02Å; E101-K105 WeakPolarHBondContact O-CG 3.5Å; E101-K105 PolarHBondContact O-N 2.86Å; E101-K105 WeakPolarHBondContact OE1-CE 3.43Å; E101-K105 IonicContact OE1-NZ 3.16Å; E101-K105 PolarHBondContact OE1-NZ 2.71Å
102	E	92.4	Very high	93.4	Very high	44 Å²	44	63.5 Å²	63.5	21%	0.206	31%	0.309	C	S	.	.	H	α-helix	trans	-68.2	-39.7	177.4	-63.4	-50.9	138.9	0	0	112.8	R97 D98 P99 H100 L104 K105 A106	R97-E102 HydrophobicContact CB-CG 4.15Å; R97-E102 HydrophobicContact CG-CG 4.49Å; R97-E102 IonicContact CZ-OE2 2.9Å; R97-E102 IonicContact NE-OE1 3.03Å; R97-E102 PolarHBondContact NE-OE1 3.17Å; R97-E102 IonicContact NE-OE2 2.62Å; R97-E102 PolarHBondContact NE-OE2 3.08Å; R97-E102 VanDerWaalsContact NH2-CD 3.31Å; R97-E102 IonicContact NH2-OE2 2.8Å; R97-E102 PolarHBondContact NH2-OE2 3.35Å; D98-E102 WeakPolarHBondContact O-CG 3.46Å; D98-E102 PolarHBondContact O-N 3.46Å; D98-E102 VanDerWaalsContact O-N 3.08Å; P99-E102 PolarHBondContact O-N 3.17Å; H100-E102 VanDerWaalsContact C-N 3.28Å; H100-E102 PolarHBondContact O-N 3.06Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.02Å; E102-K105 PolarHBondContact O-N 3.32Å; E102-K105 IonicContact OE1-NZ 3.98Å; E102-K105 PolarHBondContact OE1-NZ 2.78Å; E102-A106 PolarHBondContact O-N 3.16Å
103	I	94.9	Very high	93.5	Very high	17 Å²	17	66.1 Å²	66.1	9%	0.087	32%	0.323	C	S	.	.	H	α-helix	trans	-62.1	-42.9	172.8	-68.5	165	0	0	0	110.5	P99 H100 K105 A106 F107 F159 I160 M163 T164	P99-I103 VanDerWaalsContact O-CG1 3.25Å; P99-I103 WeakPolarHBondContact O-CG1 3.35Å; P99-I103 PolarHBondContact O-N 3.31Å; H100-I103 PolarHBondContact O-N 2.83Å; I103-K105 VanDerWaalsContact C-N 3.34Å; I103-K105 PolarHBondContact O-N 3.4Å; I103-A106 WeakPolarHBondContact O-CB 3.4Å; I103-A106 PolarHBondContact O-N 2.92Å; I103-F107 PolarHBondContact O-N 2.82Å; I103-F159 HydrophobicContact CG2-CD1 3.83Å; I103-F159 HydrophobicContact CG2-CE1 3.98Å; I103-I160 HydrophobicContact CG2-CB 4.39Å; I103-I160 HydrophobicContact CG2-CG1 3.73Å; I103-M163 HydrophobicContact CD1-CB 3.7Å; I103-M163 HydrophobicContact CG1-CB 3.73Å; I103-M163 HydrophobicContact CG1-CG 4.33Å; I103-M163 HydrophobicContact CG2-CB 4.03Å; I103-M163 HydrophobicContact CG2-CG 4.09Å; I103-T164 HydrophobicContact CD1-CG2 3.82Å
104	L	95.7	Very high	93.6	Very high	43 Å²	43	69.5 Å²	69.5	23%	0.225	35%	0.346	C	S	.	.	H	α-helix	trans	-64.6	-36.7	177	-68.2	-175.5	0	0	0	113	H100 E101 E102 K108 Q156 I160	H100-L104 WeakPolarHBondContact O-CG 3.44Å; H100-L104 PolarHBondContact O-N 2.96Å; E101-L104 PolarHBondContact O-N 3.02Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.02Å; L104-K108 WeakPolarHBondContact O-CG 3.14Å; L104-K108 PolarHBondContact O-N 3.16Å; L104-Q156 HydrophobicContact CD2-CG 3.61Å; L104-I160 HydrophobicContact CD2-CD1 4.07Å
105	K	93.5	Very high	93.8	Very high	93 Å²	93	71.6 Å²	71.6	40%	0.404	36%	0.363	S	S	.	.	H	α-helix	trans	-64.1	-45.6	172.8	-73.5	168.8	-171.7	160.1	0	110.7	E101 E102 I103 K108 L109	E101-K105 WeakPolarHBondContact O-CG 3.5Å; E101-K105 PolarHBondContact O-N 2.86Å; E101-K105 WeakPolarHBondContact OE1-CE 3.43Å; E101-K105 IonicContact OE1-NZ 3.16Å; E101-K105 PolarHBondContact OE1-NZ 2.71Å; E102-K105 PolarHBondContact O-N 3.32Å; E102-K105 IonicContact OE1-NZ 3.98Å; E102-K105 PolarHBondContact OE1-NZ 2.78Å; I103-K105 VanDerWaalsContact C-N 3.34Å; I103-K105 PolarHBondContact O-N 3.4Å; K105-K108 PolarHBondContact O-N 3.26Å; K105-L109 PolarHBondContact O-N 3.41Å
106	A	94.6	Very high	94.2	Very high	28 Å²	28	72 Å²	72	23%	0.231	37%	0.374	C	S	.	.	H	α-helix	trans	-59.5	-47	176.5	0	0	0	0	0	111.1	E102 I103 K108 L109 F110 F159	E102-A106 PolarHBondContact O-N 3.16Å; I103-A106 WeakPolarHBondContact O-CB 3.4Å; I103-A106 PolarHBondContact O-N 2.92Å; A106-K108 VanDerWaalsContact C-N 3.28Å; A106-K108 PolarHBondContact O-N 3.31Å; A106-L109 WeakPolarHBondContact O-CA 3.32Å; A106-L109 WeakPolarHBondContact O-CB 3.36Å; A106-L109 PolarHBondContact O-N 2.91Å; A106-F110 WeakPolarHBondContact O-CD2 3.43Å; A106-F110 PolarHBondContact O-N 2.72Å; A106-F159 HydrophobicContact CB-CE1 4.22Å; A106-F159 HydrophobicContact CB-CZ 4.38Å
107	F	97.3	Very high	94.5	Very high	6 Å²	6	68.1 Å²	68.1	3%	0.026	36%	0.355	C	S	.	.	H	α-helix	trans	-51.5	-46.7	176.6	-178	-94.3	0	0	0	112.2	I103 L109 F110 D111 G116 I118 Q156 F159	I103-F107 PolarHBondContact O-N 2.82Å; F107-L109 VanDerWaalsContact C-N 3.26Å; F107-L109 PolarHBondContact O-N 2.75Å; F107-F110 WeakPolarHBondContact O-CA 3.4Å; F107-F110 WeakPolarHBondContact O-CB 3.29Å; F107-F110 PolarHBondContact O-N 3.31Å; F107-D111 HydrophobicContact CD1-CB 4.38Å; F107-D111 HydrophobicContact CE1-CB 3.96Å; F107-D111 HydrophobicContact CZ-CB 4.39Å; F107-D111 PolarHBondContact O-N 2.85Å; F107-G116 WeakPolarHBondContact CZ-O 3.47Å; F107-I118 HydrophobicContact CD2-CD1 3.69Å; F107-I118 HydrophobicContact CD2-CG1 4.03Å; F107-I118 HydrophobicContact CE2-CD1 3.75Å; F107-I118 HydrophobicContact CE2-CG1 3.65Å; F107-I118 HydrophobicContact CZ-CG1 4.24Å; F107-Q156 HydrophobicContact CD1-CG 4.26Å; F107-Q156 HydrophobicContact CE1-CB 4.24Å; F107-Q156 HydrophobicContact CE1-CG 4.42Å; F107-Q156 HydrophobicContact CE2-CB 4.22Å; F107-Q156 HydrophobicContact CG-CG 4.31Å; F107-Q156 HydrophobicContact CZ-CB 4.06Å; F107-F159 HydrophobicContact CB-CD1 3.81Å; F107-F159 HydrophobicContact CB-CE1 3.97Å; F107-F159 HydrophobicContact CD2-CB 3.6Å; F107-F159 AromaticContact CD2-CD1 3.77Å; F107-F159 HydrophobicContact CD2-CD1 3.77Å; F107-F159 HydrophobicContact CD2-CD2 4.32Å; F107-F159 AromaticContact CD2-CG 3.64Å; F107-F159 HydrophobicContact CD2-CG 3.64Å; F107-F159 HydrophobicContact CE2-CB 4Å; F107-F159 HydrophobicContact CE2-CG 4.42Å; F107-F159 HydrophobicContact CG-CD1 4.29Å
108	K	96.3	Very high	94.9	Very high	138 Å²	138	64.6 Å²	64.6	60%	0.6	34%	0.342	S	S	*	.	H	α-helix	trans	-65.6	-23.7	177.2	-70.4	-177.9	177.7	-172.2	0	114.5	L104 K105 A106 F110	L104-K108 WeakPolarHBondContact O-CG 3.14Å; L104-K108 PolarHBondContact O-N 3.16Å; K105-K108 PolarHBondContact O-N 3.26Å; A106-K108 VanDerWaalsContact C-N 3.28Å; A106-K108 PolarHBondContact O-N 3.31Å; K108-F110 VanDerWaalsContact C-N 3.3Å
109	L	95.1	Very high	95.3	Very high	129 Å²	129	61.1 Å²	61.1	68%	0.675	32%	0.324	S	S	*	.	H	α-helix	trans	-73.5	-26.6	172.5	-64.9	174.4	0	0	0	111.7	K105 A106 F107 R125	K105-L109 PolarHBondContact O-N 3.41Å; A106-L109 WeakPolarHBondContact O-CA 3.32Å; A106-L109 WeakPolarHBondContact O-CB 3.36Å; A106-L109 PolarHBondContact O-N 2.91Å; F107-L109 VanDerWaalsContact C-N 3.26Å; F107-L109 PolarHBondContact O-N 2.75Å; L109-R125 PolarHBondContact O-NH2 3.49Å
110	F	97.2	Very high	95.8	Very high	49 Å²	49	59.6 Å²	59.6	22%	0.215	31%	0.312	C	S	.	.	H	α-helix	trans	-79.1	-55.1	170.7	-75.4	-99.6	0	0	0	111	A106 F107 K108 D112 I118 N122 L123 R125 V126 F159	A106-F110 WeakPolarHBondContact O-CD2 3.43Å; A106-F110 PolarHBondContact O-N 2.72Å; F107-F110 WeakPolarHBondContact O-CA 3.4Å; F107-F110 WeakPolarHBondContact O-CB 3.29Å; F107-F110 PolarHBondContact O-N 3.31Å; K108-F110 VanDerWaalsContact C-N 3.3Å; F110-D112 VanDerWaalsContact C-N 3.28Å; F110-D112 PolarHBondContact O-N 3.18Å; F110-D112 VanDerWaalsContact O-OD1 3.12Å; F110-I118 HydrophobicContact CB-CD1 3.56Å; F110-I118 HydrophobicContact CB-CG1 3.69Å; F110-I118 HydrophobicContact CB-CG2 4.13Å; F110-I118 HydrophobicContact CD1-CD1 4.34Å; F110-I118 HydrophobicContact CD1-CG2 4.19Å; F110-I118 HydrophobicContact CG-CD1 3.93Å; F110-N122 WeakPolarHBondContact O-CB 3.36Å; F110-N122 PolarHBondContact O-ND2 3.26Å; F110-L123 HydrophobicContact CD1-CD1 4.25Å; F110-L123 HydrophobicContact CE1-CD1 3.89Å; F110-R125 PolarHBondContact O-NH2 2.97Å; F110-V126 HydrophobicContact CD1-CB 4.05Å; F110-V126 HydrophobicContact CD1-CG1 4.2Å; F110-V126 HydrophobicContact CD1-CG2 3.66Å; F110-V126 HydrophobicContact CE1-CB 3.86Å; F110-V126 HydrophobicContact CE1-CG1 3.6Å; F110-V126 HydrophobicContact CE1-CG2 3.96Å; F110-V126 HydrophobicContact CG-CG2 4.12Å; F110-V126 HydrophobicContact CZ-CG1 3.85Å; F110-F159 HydrophobicContact CD2-CE2 4.31Å; F110-F159 HydrophobicContact CD2-CZ 4.19Å; F110-F159 HydrophobicContact CE2-CE2 4.3Å; F110-F159 HydrophobicContact CE2-CZ 4.15Å
111	D	97.8	Very high	96.1	Very high	7 Å²	7	60.8 Å²	60.8	4%	0.037	31%	0.313	C	S	.	.			trans	-76.2	68.4	-179	-178.7	28.5	0	0	0	112.5	F107 D113 D114 S115 G116 K117	F107-D111 HydrophobicContact CD1-CB 4.38Å; F107-D111 HydrophobicContact CE1-CB 3.96Å; F107-D111 HydrophobicContact CZ-CB 4.39Å; F107-D111 PolarHBondContact O-N 2.85Å; D111-D113 VanDerWaalsContact C-N 3.27Å; D111-D113 PolarHBondContact O-N 2.82Å; D111-D114 PolarHBondContact O-N 3.39Å; D111-D114 PolarHBondContact OD1-N 3.43Å; D111-S115 PolarHBondContact OD1-N 3.14Å; D111-S115 PolarHBondContact OD1-OG 3.03Å; D111-S115 PolarHBondContact OD2-N 3.37Å; D111-G116 VanDerWaalsContact OD2-CA 3.24Å; D111-G116 WeakPolarHBondContact OD2-CA 3.29Å; D111-G116 PolarHBondContact OD2-N 2.97Å; D111-K117 PolarHBondContact OD2-N 3.43Å
112	D	95.4	Very high	96.3	Very high	85 Å²	85	56.2 Å²	56.2	46%	0.455	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-10.4	-175.8	60.8	-57.7	0	0	0	115.2	F110 N122 R125	F110-D112 VanDerWaalsContact C-N 3.28Å; F110-D112 PolarHBondContact O-N 3.18Å; F110-D112 VanDerWaalsContact O-OD1 3.12Å; D112-N122 PolarHBondContact OD1-ND2 3.01Å; D112-R125 IonicContact OD1-CZ 3.11Å; D112-R125 IonicContact OD1-NE 2.54Å; D112-R125 PolarHBondContact OD1-NE 3.48Å; D112-R125 VanDerWaalsContact OD1-NE 3.11Å; D112-R125 IonicContact OD1-NH2 3.96Å; D112-R125 PolarHBondContact OD1-NH2 2.98Å; D112-R125 VanDerWaalsContact OD1-NH2 3.16Å; D112-R125 IonicContact OD2-CZ 3.05Å; D112-R125 IonicContact OD2-NE 2.88Å; D112-R125 PolarHBondContact OD2-NE 2.9Å; D112-R125 IonicContact OD2-NH2 3.97Å
113	D	96.2	Very high	96.5	Very high	71 Å²	71	54.9 Å²	54.9	38%	0.38	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	11	174.5	62.7	-38.7	0	0	0	114	D111 S115 R121 N122	D111-D113 VanDerWaalsContact C-N 3.27Å; D111-D113 PolarHBondContact O-N 2.82Å; D113-S115 PolarHBondContact O-N 3.16Å; D113-R121 IonicContact OD1-CZ 3.25Å; D113-R121 IonicContact OD1-NH2 2.7Å; D113-R121 PolarHBondContact OD1-NH2 3.43Å; D113-R121 IonicContact OD2-CZ 3.83Å; D113-R121 VanDerWaalsContact OD2-CZ 3.25Å; D113-R121 IonicContact OD2-NH1 2.81Å; D113-R121 PolarHBondContact OD2-NH1 3.15Å; D113-R121 IonicContact OD2-NH2 3.96Å; D113-R121 PolarHBondContact OD2-NH2 2.89Å; D113-N122 PolarHBondContact OD1-ND2 3.12Å; D113-N122 VanDerWaalsContact OD1-ND2 3.08Å
114	D	96	Very high	96.5	Very high	141 Å²	141	57.9 Å²	57.9	75%	0.754	30%	0.296	S	S	*	.			trans	52.3	36	178.9	-67.8	-58.3	0	0	0	112.5	D111 G116	D111-D114 PolarHBondContact O-N 3.39Å; D111-D114 PolarHBondContact OD1-N 3.43Å; D114-G116 PolarHBondContact O-N 2.93Å
115	S	96.9	Very high	96.6	Very high	61 Å²	61	58.6 Å²	58.6	43%	0.427	30%	0.296	S	S	.	.			trans	-74.3	-19.3	-180	70.6	0	0	0	0	112.4	D111 D113 K117	D111-S115 PolarHBondContact OD1-N 3.14Å; D111-S115 PolarHBondContact OD1-OG 3.03Å; D111-S115 PolarHBondContact OD2-N 3.37Å; D113-S115 PolarHBondContact O-N 3.16Å; S115-K117 VanDerWaalsContact C-N 3.34Å; S115-K117 PolarHBondContact OG-N 2.7Å; S115-K117 VanDerWaalsContact OG-N 3.16Å; S115-K117 PolarHBondContact OG-O 3.03Å
116	G	97.2	Very high	96.7	Very high	39 Å²	39	55 Å²	55	40%	0.402	28%	0.281	S	S	.	.	S	Bend	trans	84.4	7.1	-170.6	0	0	0	0	0	113.3	F107 D111 D114	F107-G116 WeakPolarHBondContact CZ-O 3.47Å; D111-G116 VanDerWaalsContact OD2-CA 3.24Å; D111-G116 WeakPolarHBondContact OD2-CA 3.29Å; D111-G116 PolarHBondContact OD2-N 2.97Å; D114-G116 PolarHBondContact O-N 2.93Å
117	K	98.2	Very high	96.7	Very high	64 Å²	64	54.1 Å²	54.1	28%	0.278	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	155.7	-174.3	-60.4	-176.8	-179.3	-177.9	0	112	D111 S115 D151 E153 I154 N155	D111-K117 PolarHBondContact OD2-N 3.43Å; S115-K117 VanDerWaalsContact C-N 3.34Å; S115-K117 PolarHBondContact OG-N 2.7Å; S115-K117 VanDerWaalsContact OG-N 3.16Å; S115-K117 PolarHBondContact OG-O 3.03Å; K117-D151 IonicContact NZ-OD2 3.88Å; K117-D151 PolarHBondContact NZ-OD2 2.98Å; K117-E153 HydrophobicContact CB-CB 4.01Å; K117-E153 HydrophobicContact CD-CB 4.13Å; K117-E153 VanDerWaalsContact CD-OE2 3.23Å; K117-E153 WeakPolarHBondContact CD-OE2 3.29Å; K117-I154 CarbonylContact C-O 3.54Å; K117-I154 WeakPolarHBondContact CA-O 3.42Å; K117-N155 HydrophobicContact CG-CB 4.32Å
118	I	98.1	Very high	96.6	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	101.5	173.6	-56.1	171.7	0	0	0	107.8	F107 F110 N122 L123 I154 F159	F107-I118 HydrophobicContact CD2-CD1 3.69Å; F107-I118 HydrophobicContact CD2-CG1 4.03Å; F107-I118 HydrophobicContact CE2-CD1 3.75Å; F107-I118 HydrophobicContact CE2-CG1 3.65Å; F107-I118 HydrophobicContact CZ-CG1 4.24Å; F110-I118 HydrophobicContact CB-CD1 3.56Å; F110-I118 HydrophobicContact CB-CG1 3.69Å; F110-I118 HydrophobicContact CB-CG2 4.13Å; F110-I118 HydrophobicContact CD1-CD1 4.34Å; F110-I118 HydrophobicContact CD1-CG2 4.19Å; F110-I118 HydrophobicContact CG-CD1 3.93Å; I118-N122 HydrophobicContact CG2-CB 4.07Å; I118-L123 HydrophobicContact CG2-CB 4.29Å; I118-I154 HydrophobicContact CB-CB 4.21Å; I118-I154 PolarHBondContact N-O 3.46Å; I118-I154 PolarHBondContact O-N 3.37Å; I118-F159 HydrophobicContact CD1-CD2 3.44Å; I118-F159 VanDerWaalsContact CD1-CD2 3.44Å; I118-F159 HydrophobicContact CD1-CE2 3.75Å; I118-F159 HydrophobicContact CD1-CG 4.09Å
119	S	97.7	Very high	96.5	Very high	12 Å²	12	61.8 Å²	61.8	8%	0.084	31%	0.305	C	S	.	.			trans	-79.2	167	174.4	76.4	0	0	0	0	112.1	R121 N122 L123 E153	S119-R121 PolarHBondContact O-N 3.26Å; S119-R121 VanDerWaalsContact O-N 3.12Å; S119-R121 WeakPolarHBondContact OG-CB 3.34Å; S119-R121 PolarHBondContact OG-N 2.92Å; S119-N122 VanDerWaalsContact CB-OD1 3.32Å; S119-N122 WeakPolarHBondContact CB-OD1 3.11Å; S119-N122 PolarHBondContact N-OD1 2.99Å; S119-N122 WeakPolarHBondContact O-CB 2.75Å; S119-N122 PolarHBondContact O-N 2.88Å; S119-N122 PolarHBondContact OG-N 3.33Å; S119-N122 PolarHBondContact OG-OD1 3Å; S119-L123 PolarHBondContact O-N 2.69Å; S119-E153 WeakPolarHBondContact CB-OE1 3.47Å
120	L	97.2	Very high	96.4	Very high	36 Å²	36	61.8 Å²	61.8	19%	0.188	31%	0.305	C	S	.	.	H	α-helix	trans	-51.8	-34.4	169.1	-179.3	63.6	0	0	0	112.6	R124 L139 R140 I143	L120-R124 VanDerWaalsContact O-CB 3.22Å; L120-R124 WeakPolarHBondContact O-CB 3.2Å; L120-R124 PolarHBondContact O-N 3.41Å; L120-L139 HydrophobicContact CD1-CB 3.44Å; L120-L139 VanDerWaalsContact CD1-CB 3.44Å; L120-L139 HydrophobicContact CD1-CD1 4.34Å; L120-R140 HydrophobicContact CD1-CG 4.11Å; L120-R140 HydrophobicContact CD2-CG 3.96Å; L120-I143 HydrophobicContact CB-CD1 3.95Å; L120-I143 HydrophobicContact CD1-CD1 4.31Å
121	R	97.1	Very high	96.3	Very high	115 Å²	115	61.9 Å²	61.9	43%	0.434	32%	0.319	S	S	.	.	H	α-helix	trans	-67.9	-45	178.3	-173.1	-157.3	71.1	-136.7	-12.9	110.9	D113 S119 R125	D113-R121 IonicContact OD1-CZ 3.25Å; D113-R121 IonicContact OD1-NH2 2.7Å; D113-R121 PolarHBondContact OD1-NH2 3.43Å; D113-R121 IonicContact OD2-CZ 3.83Å; D113-R121 VanDerWaalsContact OD2-CZ 3.25Å; D113-R121 IonicContact OD2-NH1 2.81Å; D113-R121 PolarHBondContact OD2-NH1 3.15Å; D113-R121 IonicContact OD2-NH2 3.96Å; D113-R121 PolarHBondContact OD2-NH2 2.89Å; S119-R121 PolarHBondContact O-N 3.26Å; S119-R121 VanDerWaalsContact O-N 3.12Å; S119-R121 WeakPolarHBondContact OG-CB 3.34Å; S119-R121 PolarHBondContact OG-N 2.92Å; R121-R125 PolarHBondContact O-N 2.89Å; R121-R125 VanDerWaalsContact O-N 3.12Å
122	N	97.6	Very high	96.1	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-62.7	-50.3	177.9	-58.2	104.9	0	0	0	110.2	F110 D112 D113 I118 S119 R124 R125 V126	F110-N122 WeakPolarHBondContact O-CB 3.36Å; F110-N122 PolarHBondContact O-ND2 3.26Å; D112-N122 PolarHBondContact OD1-ND2 3.01Å; D113-N122 PolarHBondContact OD1-ND2 3.12Å; D113-N122 VanDerWaalsContact OD1-ND2 3.08Å; I118-N122 HydrophobicContact CG2-CB 4.07Å; S119-N122 VanDerWaalsContact CB-OD1 3.32Å; S119-N122 WeakPolarHBondContact CB-OD1 3.11Å; S119-N122 PolarHBondContact N-OD1 2.99Å; S119-N122 WeakPolarHBondContact O-CB 2.75Å; S119-N122 PolarHBondContact O-N 2.88Å; S119-N122 PolarHBondContact OG-N 3.33Å; S119-N122 PolarHBondContact OG-OD1 3Å; N122-R124 VanDerWaalsContact C-N 3.34Å; N122-R124 PolarHBondContact O-N 3.24Å; N122-R125 WeakPolarHBondContact O-CB 3.5Å; N122-R125 PolarHBondContact O-N 3.33Å; N122-R125 VanDerWaalsContact O-N 3.09Å; N122-V126 PolarHBondContact O-N 3.09Å; N122-V126 VanDerWaalsContact O-N 3.09Å
123	L	96.5	Very high	95.8	Very high	17 Å²	17	71 Å²	71	9%	0.089	36%	0.364	C	S	.	.	H	α-helix	trans	-61.1	-42.2	-178.8	-171.7	62	0	0	0	112.1	F110 I118 S119 R125 V126 A127 L139 M142 I143	F110-L123 HydrophobicContact CD1-CD1 4.25Å; F110-L123 HydrophobicContact CE1-CD1 3.89Å; I118-L123 HydrophobicContact CG2-CB 4.29Å; S119-L123 PolarHBondContact O-N 2.69Å; L123-R125 VanDerWaalsContact C-N 3.32Å; L123-R125 PolarHBondContact O-N 2.92Å; L123-V126 PolarHBondContact O-N 2.8Å; L123-A127 WeakPolarHBondContact O-CB 3.39Å; L123-A127 PolarHBondContact O-N 3.11Å; L123-L139 HydrophobicContact CD2-CB 4.41Å; L123-L139 HydrophobicContact CD2-CD2 4.04Å; L123-L139 HydrophobicContact CG-CD2 4.03Å; L123-M142 HydrophobicContact CD2-CB 4.15Å; L123-M142 HydrophobicContact CD2-CE 4.43Å; L123-M142 HydrophobicContact CD2-SD 4.29Å; L123-I143 HydrophobicContact CD2-CD1 4.41Å; L123-I143 HydrophobicContact CD2-CG1 4.09Å
124	R	95.9	Very high	95.7	Very high	80 Å²	80	71 Å²	71	30%	0.302	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-36.3	175.3	-176.7	170.5	57.6	-149	-5.6	113.2	L120 N122 R128 D136 L139	L120-R124 VanDerWaalsContact O-CB 3.22Å; L120-R124 WeakPolarHBondContact O-CB 3.2Å; L120-R124 PolarHBondContact O-N 3.41Å; N122-R124 VanDerWaalsContact C-N 3.34Å; N122-R124 PolarHBondContact O-N 3.24Å; R124-R128 WeakPolarHBondContact O-CB 3.33Å; R124-R128 PolarHBondContact O-N 2.74Å; R124-R128 VanDerWaalsContact O-N 3.12Å; R124-D136 IonicContact NH1-OD1 2.97Å; R124-D136 PolarHBondContact NH1-OD1 3.28Å; R124-D136 IonicContact NH1-OD2 3.34Å; R124-D136 PolarHBondContact NH1-OD2 3.11Å; R124-L139 HydrophobicContact CB-CD1 3.67Å; R124-L139 HydrophobicContact CG-CD1 3.98Å
125	R	96	Very high	95.7	Very high	58 Å²	58	66.4 Å²	66.4	22%	0.219	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-51.9	175.4	177.2	-174.7	61.9	73.9	1.4	109.5	L109 F110 D112 R121 N122 L123 A127 R128 E129	L109-R125 PolarHBondContact O-NH2 3.49Å; F110-R125 PolarHBondContact O-NH2 2.97Å; D112-R125 IonicContact OD1-CZ 3.11Å; D112-R125 IonicContact OD1-NE 2.54Å; D112-R125 PolarHBondContact OD1-NE 3.48Å; D112-R125 VanDerWaalsContact OD1-NE 3.11Å; D112-R125 IonicContact OD1-NH2 3.96Å; D112-R125 PolarHBondContact OD1-NH2 2.98Å; D112-R125 VanDerWaalsContact OD1-NH2 3.16Å; D112-R125 IonicContact OD2-CZ 3.05Å; D112-R125 IonicContact OD2-NE 2.88Å; D112-R125 PolarHBondContact OD2-NE 2.9Å; D112-R125 IonicContact OD2-NH2 3.97Å; R121-R125 PolarHBondContact O-N 2.89Å; R121-R125 VanDerWaalsContact O-N 3.12Å; N122-R125 WeakPolarHBondContact O-CB 3.5Å; N122-R125 PolarHBondContact O-N 3.33Å; N122-R125 VanDerWaalsContact O-N 3.09Å; L123-R125 VanDerWaalsContact C-N 3.32Å; L123-R125 PolarHBondContact O-N 2.92Å; R125-A127 PolarHBondContact O-N 3.09Å; R125-R128 PolarHBondContact O-N 3.38Å; R125-E129 WeakPolarHBondContact CD-OE1 3.49Å; R125-E129 VanDerWaalsContact CG-OE1 3.25Å; R125-E129 WeakPolarHBondContact CG-OE1 3.49Å; R125-E129 IonicContact CZ-OE1 3.24Å; R125-E129 VanDerWaalsContact NH1-CD 3.26Å; R125-E129 IonicContact NH1-OE1 2.74Å; R125-E129 PolarHBondContact NH1-OE1 3.21Å; R125-E129 IonicContact NH1-OE2 2.7Å; R125-E129 PolarHBondContact NH1-OE2 2.99Å; R125-E129 WeakPolarHBondContact O-CG 3.44Å; R125-E129 PolarHBondContact O-N 2.9Å
126	V	95.7	Very high	95.6	Very high	16 Å²	16	66 Å²	66	10%	0.097	34%	0.335	C	S	.	.	H	α-helix	trans	-61.5	-45.9	-179.3	177.5	0	0	0	0	111.3	F110 N122 L123 R128 E129 L130	F110-V126 HydrophobicContact CD1-CB 4.05Å; F110-V126 HydrophobicContact CD1-CG1 4.2Å; F110-V126 HydrophobicContact CD1-CG2 3.66Å; F110-V126 HydrophobicContact CE1-CB 3.86Å; F110-V126 HydrophobicContact CE1-CG1 3.6Å; F110-V126 HydrophobicContact CE1-CG2 3.96Å; F110-V126 HydrophobicContact CG-CG2 4.12Å; F110-V126 HydrophobicContact CZ-CG1 3.85Å; N122-V126 PolarHBondContact O-N 3.09Å; N122-V126 VanDerWaalsContact O-N 3.09Å; L123-V126 PolarHBondContact O-N 2.8Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.16Å; V126-E129 PolarHBondContact O-N 3.09Å; V126-E129 VanDerWaalsContact O-N 3.1Å; V126-L130 HydrophobicContact CG1-CD1 3.94Å; V126-L130 HydrophobicContact CG1-CG 4.33Å; V126-L130 WeakPolarHBondContact O-CG 3.16Å; V126-L130 PolarHBondContact O-N 2.62Å
127	A	95.5	Very high	95.6	Very high	11 Å²	11	70.3 Å²	70.3	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-55.4	-44.1	175.9	0	0	0	0	0	112	L123 R125 L130 G131 E132 L139	L123-A127 WeakPolarHBondContact O-CB 3.39Å; L123-A127 PolarHBondContact O-N 3.11Å; R125-A127 PolarHBondContact O-N 3.09Å; A127-L130 PolarHBondContact O-N 3.12Å; A127-G131 PolarHBondContact O-N 3.44Å; A127-G131 VanDerWaalsContact O-N 3.12Å; A127-E132 HydrophobicContact CB-CB 4.39Å; A127-E132 PolarHBondContact O-N 3.32Å; A127-L139 HydrophobicContact CB-CD2 4.38Å
128	R	95	Very high	95.5	Very high	178 Å²	178	72.1 Å²	72.1	67%	0.672	35%	0.354	S	S	*	.	H	α-helix	trans	-65.6	-39.8	176.5	-175.7	-179.1	-67.3	139.3	0.3	112.9	R124 R125 V126 L130 G131	R124-R128 WeakPolarHBondContact O-CB 3.33Å; R124-R128 PolarHBondContact O-N 2.74Å; R124-R128 VanDerWaalsContact O-N 3.12Å; R125-R128 PolarHBondContact O-N 3.38Å; V126-R128 VanDerWaalsContact C-N 3.28Å; V126-R128 PolarHBondContact O-N 3.16Å; R128-L130 VanDerWaalsContact C-N 3.26Å; R128-L130 PolarHBondContact O-N 2.85Å; R128-G131 PolarHBondContact O-N 3.09Å; R128-G131 VanDerWaalsContact O-N 3.09Å
129	E	94.3	Very high	95.4	Very high	127 Å²	127	72.1 Å²	72.1	59%	0.593	35%	0.354	S	S	*	.	H	α-helix	trans	-63.9	-34.1	176.8	-74.4	172.4	-167.9	0	0	111.8	R125 V126 G131	R125-E129 WeakPolarHBondContact CD-OE1 3.49Å; R125-E129 VanDerWaalsContact CG-OE1 3.25Å; R125-E129 WeakPolarHBondContact CG-OE1 3.49Å; R125-E129 IonicContact CZ-OE1 3.24Å; R125-E129 VanDerWaalsContact NH1-CD 3.26Å; R125-E129 IonicContact NH1-OE1 2.74Å; R125-E129 PolarHBondContact NH1-OE1 3.21Å; R125-E129 IonicContact NH1-OE2 2.7Å; R125-E129 PolarHBondContact NH1-OE2 2.99Å; R125-E129 WeakPolarHBondContact O-CG 3.44Å; R125-E129 PolarHBondContact O-N 2.9Å; V126-E129 PolarHBondContact O-N 3.09Å; V126-E129 VanDerWaalsContact O-N 3.1Å; E129-G131 VanDerWaalsContact C-N 3.26Å; E129-G131 PolarHBondContact O-N 3.05Å
130	L	93.2	Very high	95.4	Very high	128 Å²	128	76.4 Å²	76.4	67%	0.67	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-6.9	173.9	-62.7	176.6	0	0	0	113.4	V126 A127 R128 E132	V126-L130 HydrophobicContact CG1-CD1 3.94Å; V126-L130 HydrophobicContact CG1-CG 4.33Å; V126-L130 WeakPolarHBondContact O-CG 3.16Å; V126-L130 PolarHBondContact O-N 2.62Å; A127-L130 PolarHBondContact O-N 3.12Å; R128-L130 VanDerWaalsContact C-N 3.26Å; R128-L130 PolarHBondContact O-N 2.85Å; L130-E132 VanDerWaalsContact C-N 3.29Å; L130-E132 HydrophobicContact CB-CG 4.3Å
131	G	94.6	Very high	95.4	Very high	51 Å²	51	77.3 Å²	77.3	53%	0.526	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	11.6	-177.4	0	0	0	0	0	114.4	A127 R128 E129	A127-G131 PolarHBondContact O-N 3.44Å; A127-G131 VanDerWaalsContact O-N 3.12Å; R128-G131 PolarHBondContact O-N 3.09Å; R128-G131 VanDerWaalsContact O-N 3.09Å; E129-G131 VanDerWaalsContact C-N 3.26Å; E129-G131 PolarHBondContact O-N 3.05Å
132	E	94	Very high	95.2	Very high	120 Å²	120	75.5 Å²	75.5	56%	0.561	38%	0.379	S	S	*	.			trans	-81	118.7	177.8	-67.5	-60.6	156.4	0	0	110.5	A127 L130 M134	A127-E132 HydrophobicContact CB-CB 4.39Å; A127-E132 PolarHBondContact O-N 3.32Å; L130-E132 VanDerWaalsContact C-N 3.29Å; L130-E132 HydrophobicContact CB-CG 4.3Å; E132-M134 HydrophobicContact CB-CG 4.31Å; E132-M134 PolarHBondContact O-N 3.33Å
133	N	89.6	Confident	95.2	Very high	163 Å²	163	75.9 Å²	75.9	87%	0.872	38%	0.38	S	S	*	.			trans	-90.6	89.1	178.9	-68.2	-58.4	0	0	0	109.8
134	M	93.2	Very high	95.2	Very high	71 Å²	71	81.7 Å²	81.7	35%	0.35	41%	0.407	S	S	.	.			trans	-108.3	140.1	178.3	-55.9	-172.4	72.4	0	0	110.9	E132 E138 L139 M142	E132-M134 HydrophobicContact CB-CG 4.31Å; E132-M134 PolarHBondContact O-N 3.33Å; M134-E138 HydrophobicContact CE-CB 4.04Å; M134-L139 HydrophobicContact CB-CD1 4.47Å; M134-L139 HydrophobicContact CB-CD2 3.77Å; M134-L139 HydrophobicContact CB-CG 3.89Å; M134-L139 HydrophobicContact CE-CD2 4.14Å; M134-L139 HydrophobicContact CG-CD2 4.33Å; M134-L139 HydrophobicContact SD-CD2 3.72Å; M134-M142 HydrophobicContact CE-SD 3.47Å; M134-M142 WeakPolarHBondContact CE-SD 2.8Å; M134-M142 HydrophobicContact SD-SD 4.11Å
135	S	95.5	Very high	95.1	Very high	45 Å²	45	83.6 Å²	83.6	32%	0.315	42%	0.42	S	S	.	.			trans	-70.5	156	171.8	61.4	0	0	0	0	111.4	E137 E138 L139	S135-E137 PolarHBondContact O-N 3.5Å; S135-E138 WeakPolarHBondContact CB-OE2 3.47Å; S135-E138 PolarHBondContact N-OE2 3.33Å; S135-E138 PolarHBondContact O-N 3.26Å; S135-E138 VanDerWaalsContact OG-CD 3.26Å; S135-E138 VanDerWaalsContact OG-CG 3.23Å; S135-E138 WeakPolarHBondContact OG-CG 3.41Å; S135-E138 PolarHBondContact OG-N 3.43Å; S135-E138 PolarHBondContact OG-OE2 2.79Å; S135-L139 WeakPolarHBondContact O-CG 3.38Å; S135-L139 PolarHBondContact O-N 3.25Å
136	D	95.2	Very high	95	Very high	54 Å²	54	83.3 Å²	83.3	29%	0.289	42%	0.42	S	S	.	.	H	α-helix	trans	-60.4	-30.5	174.7	-88.8	10.3	0	0	0	110.7	R124 R140	R124-D136 IonicContact NH1-OD1 2.97Å; R124-D136 PolarHBondContact NH1-OD1 3.28Å; R124-D136 IonicContact NH1-OD2 3.34Å; R124-D136 PolarHBondContact NH1-OD2 3.11Å; D136-R140 WeakPolarHBondContact O-CB 3.2Å; D136-R140 VanDerWaalsContact O-CG 3.26Å; D136-R140 WeakPolarHBondContact O-CG 3.47Å; D136-R140 PolarHBondContact O-N 3.4Å; D136-R140 IonicContact OD2-NH2 3.46Å
137	E	97.2	Very high	95	Very high	128 Å²	128	83.6 Å²	83.6	60%	0.598	42%	0.421	S	S	*	.	H	α-helix	trans	-66.4	-44.6	175	-67	69.2	-148.4	0	0	112.5	S135 R140 A141	S135-E137 PolarHBondContact O-N 3.5Å; E137-R140 PolarHBondContact O-N 2.8Å; E137-R140 IonicContact OE1-NH1 3.89Å; E137-A141 WeakPolarHBondContact O-CB 3.29Å; E137-A141 PolarHBondContact O-N 3.34Å
138	E	96.8	Very high	94.9	Very high	103 Å²	103	89.4 Å²	89.4	48%	0.481	44%	0.444	S	S	.	.	H	α-helix	trans	-64.9	-42.4	176.5	-73.6	161.7	140.7	0	0	111.5	M134 S135 A141 M142	M134-E138 HydrophobicContact CE-CB 4.04Å; S135-E138 WeakPolarHBondContact CB-OE2 3.47Å; S135-E138 PolarHBondContact N-OE2 3.33Å; S135-E138 PolarHBondContact O-N 3.26Å; S135-E138 VanDerWaalsContact OG-CD 3.26Å; S135-E138 VanDerWaalsContact OG-CG 3.23Å; S135-E138 WeakPolarHBondContact OG-CG 3.41Å; S135-E138 PolarHBondContact OG-N 3.43Å; S135-E138 PolarHBondContact OG-OE2 2.79Å; E138-A141 PolarHBondContact O-N 3.3Å; E138-M142 WeakPolarHBondContact O-CG 3.37Å; E138-M142 PolarHBondContact O-N 2.94Å
139	L	96.7	Very high	95	Very high	2 Å²	2	85.3 Å²	85.3	1%	0.01	44%	0.436	C	S	.	.	H	α-helix	trans	-66.5	-37.1	178	-65.2	178.6	0	0	0	112.3	L120 L123 R124 A127 M134 S135 M142 I143	L120-L139 HydrophobicContact CD1-CB 3.44Å; L120-L139 VanDerWaalsContact CD1-CB 3.44Å; L120-L139 HydrophobicContact CD1-CD1 4.34Å; L123-L139 HydrophobicContact CD2-CB 4.41Å; L123-L139 HydrophobicContact CD2-CD2 4.04Å; L123-L139 HydrophobicContact CG-CD2 4.03Å; R124-L139 HydrophobicContact CB-CD1 3.67Å; R124-L139 HydrophobicContact CG-CD1 3.98Å; A127-L139 HydrophobicContact CB-CD2 4.38Å; M134-L139 HydrophobicContact CB-CD1 4.47Å; M134-L139 HydrophobicContact CB-CD2 3.77Å; M134-L139 HydrophobicContact CB-CG 3.89Å; M134-L139 HydrophobicContact CE-CD2 4.14Å; M134-L139 HydrophobicContact CG-CD2 4.33Å; M134-L139 HydrophobicContact SD-CD2 3.72Å; S135-L139 WeakPolarHBondContact O-CG 3.38Å; S135-L139 PolarHBondContact O-N 3.25Å; L139-M142 HydrophobicContact CD2-SD 4.2Å; L139-M142 PolarHBondContact O-N 2.8Å; L139-I143 PolarHBondContact O-N 3.38Å
140	R	96.7	Very high	95	Very high	102 Å²	102	82.1 Å²	82.1	39%	0.385	44%	0.437	S	S	.	.	H	α-helix	trans	-64.5	-43.9	172	-77.7	-178.9	-166.2	114.7	8.3	111.4	L120 D136 E137 M142 I143 E144	L120-R140 HydrophobicContact CD1-CG 4.11Å; L120-R140 HydrophobicContact CD2-CG 3.96Å; D136-R140 WeakPolarHBondContact O-CB 3.2Å; D136-R140 VanDerWaalsContact O-CG 3.26Å; D136-R140 WeakPolarHBondContact O-CG 3.47Å; D136-R140 PolarHBondContact O-N 3.4Å; D136-R140 IonicContact OD2-NH2 3.46Å; E137-R140 PolarHBondContact O-N 2.8Å; E137-R140 IonicContact OE1-NH1 3.89Å; R140-M142 PolarHBondContact O-N 2.88Å; R140-I143 PolarHBondContact O-N 2.94Å; R140-E144 WeakPolarHBondContact O-CG 3.21Å; R140-E144 PolarHBondContact O-N 3.05Å
141	A	96.7	Very high	95.1	Very high	54 Å²	54	79.2 Å²	79.2	45%	0.446	42%	0.422	S	S	.	.	H	α-helix	trans	-60.2	-36.5	177.1	0	0	0	0	0	112.1	E137 E138 E145	E137-A141 WeakPolarHBondContact O-CB 3.29Å; E137-A141 PolarHBondContact O-N 3.34Å; E138-A141 PolarHBondContact O-N 3.3Å; A141-E145 PolarHBondContact O-N 3.01Å; A141-E145 VanDerWaalsContact O-N 3.14Å
142	M	94.3	Very high	95.2	Very high	78 Å²	78	78.8 Å²	78.8	38%	0.384	42%	0.417	S	S	.	.	H	α-helix	trans	-62	-42.4	172.8	-71	178.5	71.3	0	0	112.4	L123 M134 E138 L139 R140 F146	L123-M142 HydrophobicContact CD2-CB 4.15Å; L123-M142 HydrophobicContact CD2-CE 4.43Å; L123-M142 HydrophobicContact CD2-SD 4.29Å; M134-M142 HydrophobicContact CE-SD 3.47Å; M134-M142 WeakPolarHBondContact CE-SD 2.8Å; M134-M142 HydrophobicContact SD-SD 4.11Å; E138-M142 WeakPolarHBondContact O-CG 3.37Å; E138-M142 PolarHBondContact O-N 2.94Å; L139-M142 HydrophobicContact CD2-SD 4.2Å; L139-M142 PolarHBondContact O-N 2.8Å; R140-M142 PolarHBondContact O-N 2.88Å; M142-F146 VanDerWaalsContact O-CD2 3.22Å; M142-F146 WeakPolarHBondContact O-CD2 3.44Å
143	I	96.9	Very high	95.4	Very high	7 Å²	7	76 Å²	76	4%	0.036	40%	0.404	C	S	.	.	H	α-helix	trans	-66.7	-50.4	177.5	-67.4	170.4	0	0	0	110	L120 L123 L139 R140 E145 F146 D147 G152 I154	L120-I143 HydrophobicContact CB-CD1 3.95Å; L120-I143 HydrophobicContact CD1-CD1 4.31Å; L123-I143 HydrophobicContact CD2-CD1 4.41Å; L123-I143 HydrophobicContact CD2-CG1 4.09Å; L139-I143 PolarHBondContact O-N 3.38Å; R140-I143 PolarHBondContact O-N 2.94Å; I143-E145 PolarHBondContact O-N 2.93Å; I143-E145 VanDerWaalsContact O-N 3.13Å; I143-F146 PolarHBondContact O-N 3.5Å; I143-D147 HydrophobicContact CG2-CB 4.09Å; I143-D147 WeakPolarHBondContact O-CB 3.11Å; I143-D147 PolarHBondContact O-N 3.29Å; I143-G152 WeakPolarHBondContact CG2-O 3.33Å; I143-I154 HydrophobicContact CG1-CD1 4.29Å; I143-I154 HydrophobicContact CG1-CG1 4.38Å; I143-I154 HydrophobicContact CG2-CG1 4.25Å
144	E	95.9	Very high	95.8	Very high	139 Å²	139	68.7 Å²	68.7	65%	0.65	37%	0.365	S	S	*	.	H	α-helix	trans	-57.8	-29.3	-178	-72.3	173.4	-168.4	0	0	113.5	R140 F146	R140-E144 WeakPolarHBondContact O-CG 3.21Å; R140-E144 PolarHBondContact O-N 3.05Å; E144-F146 VanDerWaalsContact C-N 3.33Å
145	E	94.4	Very high	96.1	Very high	121 Å²	121	66.7 Å²	66.7	57%	0.565	36%	0.356	S	S	*	.	H	α-helix	trans	-67.8	-33.1	177.5	-173.6	62	-158.9	0	0	112.6	A141 I143 K148	A141-E145 PolarHBondContact O-N 3.01Å; A141-E145 VanDerWaalsContact O-N 3.14Å; I143-E145 PolarHBondContact O-N 2.93Å; I143-E145 VanDerWaalsContact O-N 3.13Å; E145-K148 PolarHBondContact O-NZ 2.97Å
146	F	93.2	Very high	96.1	Very high	52 Å²	52	68.5 Å²	68.5	23%	0.228	36%	0.359	C	S	.	.	H	α-helix	trans	-115.2	-16.8	-170.9	-57.4	-64.5	0	0	0	114.9	M142 I143 E144 K148 I154 I162 I167	M142-F146 VanDerWaalsContact O-CD2 3.22Å; M142-F146 WeakPolarHBondContact O-CD2 3.44Å; I143-F146 PolarHBondContact O-N 3.5Å; E144-F146 VanDerWaalsContact C-N 3.33Å; F146-K148 WeakPolarHBondContact O-CG 3.42Å; F146-K148 PolarHBondContact O-N 2.97Å; F146-K148 VanDerWaalsContact O-N 3.07Å; F146-I154 HydrophobicContact CB-CD1 4.46Å; F146-I162 HydrophobicContact CB-CD1 3.47Å; F146-I162 VanDerWaalsContact CB-CD1 3.47Å; F146-I162 HydrophobicContact CB-CG1 3.83Å; F146-I162 HydrophobicContact CD1-CD1 4.05Å; F146-I162 HydrophobicContact CD1-CG1 3.51Å; F146-I162 HydrophobicContact CD2-CD1 3.72Å; F146-I162 HydrophobicContact CD2-CG1 4.04Å; F146-I162 HydrophobicContact CE1-CG1 4.03Å; F146-I162 HydrophobicContact CE2-CD1 4.47Å; F146-I162 HydrophobicContact CG-CD1 3.47Å; F146-I162 VanDerWaalsContact CG-CD1 3.47Å; F146-I162 HydrophobicContact CG-CG1 3.51Å; F146-I167 HydrophobicContact CD1-CD1 4.3Å; F146-I167 HydrophobicContact CE1-CD1 3.71Å
147	D	96.5	Very high	96.2	Very high	21 Å²	21	73.4 Å²	73.4	11%	0.112	38%	0.38	C	S	.	.			trans	-66.8	97.3	169.7	172.8	13.4	0	0	0	109.5	I143 G150 D151 G152	I143-D147 HydrophobicContact CG2-CB 4.09Å; I143-D147 WeakPolarHBondContact O-CB 3.11Å; I143-D147 PolarHBondContact O-N 3.29Å; D147-G150 VanDerWaalsContact OD1-CA 3.27Å; D147-G150 WeakPolarHBondContact OD1-CA 3.41Å; D147-G150 PolarHBondContact OD1-N 3.47Å; D147-G150 WeakPolarHBondContact OD2-CA 3.41Å; D147-D151 PolarHBondContact OD1-N 2.97Å; D147-D151 PolarHBondContact OD2-N 3.46Å; D147-G152 VanDerWaalsContact OD2-CA 3.25Å; D147-G152 WeakPolarHBondContact OD2-CA 3.34Å; D147-G152 PolarHBondContact OD2-N 3.33Å
148	K	94	Very high	96.2	Very high	133 Å²	133	68 Å²	68	58%	0.578	36%	0.355	S	S	*	.	S	Bend	trans	-88.5	-24.9	-175.8	-61.6	-46.7	-176.8	-164	0	112.1	E145 F146 E158	E145-K148 PolarHBondContact O-NZ 2.97Å; F146-K148 WeakPolarHBondContact O-CG 3.42Å; F146-K148 PolarHBondContact O-N 2.97Å; F146-K148 VanDerWaalsContact O-N 3.07Å; K148-E158 HydrophobicContact CB-CG 4.44Å; K148-E158 HydrophobicContact CG-CG 4.39Å; K148-E158 PolarHBondContact N-OE1 2.94Å
149	D	95.4	Very high	96.2	Very high	93 Å²	93	63.8 Å²	63.8	50%	0.497	34%	0.335	S	S	.	.	S	Bend	trans	-88.6	-13.2	177.4	73.8	23.5	0	0	0	113.7	D151 N155 E158	D149-D151 WeakPolarHBondContact OD1-CB 3.32Å; D149-D151 PolarHBondContact OD1-N 3.36Å; D149-D151 VanDerWaalsContact OD1-N 3.15Å; D149-N155 PolarHBondContact OD2-ND2 3.45Å; D149-E158 PolarHBondContact N-OE1 2.89Å
150	G	94.7	Very high	96.1	Very high	60 Å²	60	65.1 Å²	65.1	62%	0.619	34%	0.342	S	S	*	.			trans	78.7	25.6	171.6	0	0	0	0	0	113.7	D147	D147-G150 VanDerWaalsContact OD1-CA 3.27Å; D147-G150 WeakPolarHBondContact OD1-CA 3.41Å; D147-G150 PolarHBondContact OD1-N 3.47Å; D147-G150 WeakPolarHBondContact OD2-CA 3.41Å
151	D	96.6	Very high	96	Very high	67 Å²	67	61.6 Å²	61.6	36%	0.358	34%	0.335	S	S	.	.	S	Bend	trans	-89.1	-5.6	-178.8	76.7	16.7	0	0	0	114.7	K117 D147 D149 E153	K117-D151 IonicContact NZ-OD2 3.88Å; K117-D151 PolarHBondContact NZ-OD2 2.98Å; D147-D151 PolarHBondContact OD1-N 2.97Å; D147-D151 PolarHBondContact OD2-N 3.46Å; D149-D151 WeakPolarHBondContact OD1-CB 3.32Å; D149-D151 PolarHBondContact OD1-N 3.36Å; D149-D151 VanDerWaalsContact OD1-N 3.15Å; D151-E153 PolarHBondContact OD1-N 3.04Å
152	G	96.7	Very high	95.8	Very high	41 Å²	41	61.2 Å²	61.2	42%	0.423	33%	0.325	S	S	.	.	S	Bend	trans	87.7	12.7	177.8	0	0	0	0	0	114.6	I143 D147	I143-G152 WeakPolarHBondContact CG2-O 3.33Å; D147-G152 VanDerWaalsContact OD2-CA 3.25Å; D147-G152 WeakPolarHBondContact OD2-CA 3.34Å; D147-G152 PolarHBondContact OD2-N 3.33Å
153	E	98.2	Very high	95.7	Very high	61 Å²	61	62.4 Å²	62.4	29%	0.285	33%	0.33	S	S	.	.	S	Bend	trans	-137.1	165.7	178	-54.4	-173.5	135.3	0	0	110.4	K117 S119 D151	K117-E153 HydrophobicContact CB-CB 4.01Å; K117-E153 HydrophobicContact CD-CB 4.13Å; K117-E153 VanDerWaalsContact CD-OE2 3.23Å; K117-E153 WeakPolarHBondContact CD-OE2 3.29Å; S119-E153 WeakPolarHBondContact CB-OE1 3.47Å; D151-E153 PolarHBondContact OD1-N 3.04Å
154	I	98.2	Very high	95.4	Very high	10 Å²	10	65.2 Å²	65.2	5%	0.051	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.5	175.9	-56.6	172.1	0	0	0	108.9	K117 I118 I143 F146 E158 F159 I162	K117-I154 CarbonylContact C-O 3.54Å; K117-I154 WeakPolarHBondContact CA-O 3.42Å; I118-I154 HydrophobicContact CB-CB 4.21Å; I118-I154 PolarHBondContact N-O 3.46Å; I118-I154 PolarHBondContact O-N 3.37Å; I143-I154 HydrophobicContact CG1-CD1 4.29Å; I143-I154 HydrophobicContact CG1-CG1 4.38Å; I143-I154 HydrophobicContact CG2-CG1 4.25Å; F146-I154 HydrophobicContact CB-CD1 4.46Å; I154-E158 WeakPolarHBondContact CA-OE2 3.4Å; I154-E158 HydrophobicContact CG2-CB 3.75Å; I154-F159 HydrophobicContact CG2-CB 4.02Å; I154-I162 HydrophobicContact CD1-CD1 4.21Å; I154-I162 HydrophobicContact CG2-CD1 4.06Å
155	N	97.7	Very high	94.9	Very high	29 Å²	29	61.2 Å²	61.2	16%	0.155	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	172.6	175.4	72.5	49.2	0	0	0	112	K117 D149 E157 E158 F159	K117-N155 HydrophobicContact CG-CB 4.32Å; D149-N155 PolarHBondContact OD2-ND2 3.45Å; N155-E157 VanDerWaalsContact C-N 3.32Å; N155-E157 PolarHBondContact O-N 2.84Å; N155-E157 WeakPolarHBondContact OD1-CB 3.45Å; N155-E157 PolarHBondContact OD1-N 2.72Å; N155-E158 VanDerWaalsContact CG-OE2 3.27Å; N155-E158 PolarHBondContact N-OE2 3.26Å; N155-E158 PolarHBondContact ND2-OE1 3.25Å; N155-E158 PolarHBondContact ND2-OE2 3.28Å; N155-E158 PolarHBondContact O-N 2.82Å; N155-E158 WeakPolarHBondContact OD1-CG 3.49Å; N155-E158 PolarHBondContact OD1-N 2.8Å; N155-F159 WeakPolarHBondContact O-CB 3.26Å; N155-F159 PolarHBondContact O-N 3Å
156	Q	97.3	Very high	94.3	Very high	83 Å²	83	61.4 Å²	61.4	39%	0.388	35%	0.349	S	S	.	.	H	α-helix	trans	-61.9	-36.3	-176.6	-165	-170	-89.5	0	0	113.3	L104 F107 I160	L104-Q156 HydrophobicContact CD2-CG 3.61Å; F107-Q156 HydrophobicContact CD1-CG 4.26Å; F107-Q156 HydrophobicContact CE1-CB 4.24Å; F107-Q156 HydrophobicContact CE1-CG 4.42Å; F107-Q156 HydrophobicContact CE2-CB 4.22Å; F107-Q156 HydrophobicContact CG-CG 4.31Å; F107-Q156 HydrophobicContact CZ-CB 4.06Å; Q156-I160 HydrophobicContact CG-CD1 4.24Å; Q156-I160 WeakPolarHBondContact O-CD1 3.48Å; Q156-I160 WeakPolarHBondContact O-CG1 3.43Å; Q156-I160 PolarHBondContact O-N 3Å
157	E	95.9	Very high	92.9	Very high	157 Å²	157	65.8 Å²	65.8	73%	0.734	37%	0.373	S	S	*	.	H	α-helix	trans	-70	-42.8	-179.2	-64.5	-175.5	176.2	0	0	111	N155 I160 A161	N155-E157 VanDerWaalsContact C-N 3.32Å; N155-E157 PolarHBondContact O-N 2.84Å; N155-E157 WeakPolarHBondContact OD1-CB 3.45Å; N155-E157 PolarHBondContact OD1-N 2.72Å; E157-I160 PolarHBondContact O-N 3.39Å; E157-A161 PolarHBondContact O-N 3.05Å
158	E	96.8	Very high	92.7	Very high	14 Å²	14	68 Å²	68	7%	0.065	39%	0.386	C	S	.	.	H	α-helix	trans	-62.1	-44.7	174.7	-68.3	163.7	164.2	0	0	111.2	K148 D149 I154 N155 I160 A161 I162	K148-E158 HydrophobicContact CB-CG 4.44Å; K148-E158 HydrophobicContact CG-CG 4.39Å; K148-E158 PolarHBondContact N-OE1 2.94Å; D149-E158 PolarHBondContact N-OE1 2.89Å; I154-E158 WeakPolarHBondContact CA-OE2 3.4Å; I154-E158 HydrophobicContact CG2-CB 3.75Å; N155-E158 VanDerWaalsContact CG-OE2 3.27Å; N155-E158 PolarHBondContact N-OE2 3.26Å; N155-E158 PolarHBondContact ND2-OE1 3.25Å; N155-E158 PolarHBondContact ND2-OE2 3.28Å; N155-E158 PolarHBondContact O-N 2.82Å; N155-E158 WeakPolarHBondContact OD1-CG 3.49Å; N155-E158 PolarHBondContact OD1-N 2.8Å; E158-I160 VanDerWaalsContact C-N 3.31Å; E158-I160 PolarHBondContact O-N 2.73Å; E158-A161 WeakPolarHBondContact O-CB 3.49Å; E158-A161 PolarHBondContact O-N 3.36Å; E158-I162 VanDerWaalsContact O-CG1 3.28Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.29Å
159	F	97	Very high	92.6	Very high	15 Å²	15	64.6 Å²	64.6	7%	0.066	38%	0.376	C	S	.	.	H	α-helix	trans	-62.3	-38.3	176.2	-171.2	-98.7	0	0	0	112.5	I103 A106 F107 F110 I118 I154 N155 I162 M163	I103-F159 HydrophobicContact CG2-CD1 3.83Å; I103-F159 HydrophobicContact CG2-CE1 3.98Å; A106-F159 HydrophobicContact CB-CE1 4.22Å; A106-F159 HydrophobicContact CB-CZ 4.38Å; F107-F159 HydrophobicContact CB-CD1 3.81Å; F107-F159 HydrophobicContact CB-CE1 3.97Å; F107-F159 HydrophobicContact CD2-CB 3.6Å; F107-F159 AromaticContact CD2-CD1 3.77Å; F107-F159 HydrophobicContact CD2-CD1 3.77Å; F107-F159 HydrophobicContact CD2-CD2 4.32Å; F107-F159 AromaticContact CD2-CG 3.64Å; F107-F159 HydrophobicContact CD2-CG 3.64Å; F107-F159 HydrophobicContact CE2-CB 4Å; F107-F159 HydrophobicContact CE2-CG 4.42Å; F107-F159 HydrophobicContact CG-CD1 4.29Å; F110-F159 HydrophobicContact CD2-CE2 4.31Å; F110-F159 HydrophobicContact CD2-CZ 4.19Å; F110-F159 HydrophobicContact CE2-CE2 4.3Å; F110-F159 HydrophobicContact CE2-CZ 4.15Å; I118-F159 HydrophobicContact CD1-CD2 3.44Å; I118-F159 VanDerWaalsContact CD1-CD2 3.44Å; I118-F159 HydrophobicContact CD1-CE2 3.75Å; I118-F159 HydrophobicContact CD1-CG 4.09Å; I154-F159 HydrophobicContact CG2-CB 4.02Å; N155-F159 WeakPolarHBondContact O-CB 3.26Å; N155-F159 PolarHBondContact O-N 3Å; F159-I162 WeakPolarHBondContact O-CB 3.36Å; F159-I162 PolarHBondContact O-N 3.47Å; F159-M163 HydrophobicContact CD1-CG 4.07Å; F159-M163 HydrophobicContact CE1-CG 3.74Å; F159-M163 HydrophobicContact CE1-SD 4.49Å; F159-M163 HydrophobicContact CZ-CG 3.99Å; F159-M163 HydrophobicContact CZ-SD 4.18Å; F159-M163 VanDerWaalsContact O-CG 3.29Å; F159-M163 WeakPolarHBondContact O-CG 3.39Å; F159-M163 PolarHBondContact O-N 2.88Å; F159-M163 VanDerWaalsContact O-N 3.09Å
160	I	95.7	Very high	92.5	Very high	30 Å²	30	63 Å²	63	15%	0.154	37%	0.369	C	S	.	.	H	α-helix	trans	-61.9	-46.8	174.2	-69.8	161.3	0	0	0	110.4	I103 L104 Q156 E157 E158 I162 M163 T164	I103-I160 HydrophobicContact CG2-CB 4.39Å; I103-I160 HydrophobicContact CG2-CG1 3.73Å; L104-I160 HydrophobicContact CD2-CD1 4.07Å; Q156-I160 HydrophobicContact CG-CD1 4.24Å; Q156-I160 WeakPolarHBondContact O-CD1 3.48Å; Q156-I160 WeakPolarHBondContact O-CG1 3.43Å; Q156-I160 PolarHBondContact O-N 3Å; E157-I160 PolarHBondContact O-N 3.39Å; E158-I160 VanDerWaalsContact C-N 3.31Å; E158-I160 PolarHBondContact O-N 2.73Å; I160-I162 VanDerWaalsContact C-N 3.31Å; I160-I162 PolarHBondContact O-N 3.27Å; I160-M163 PolarHBondContact O-N 3.39Å; I160-M163 VanDerWaalsContact O-N 3.1Å; I160-T164 HydrophobicContact CG2-CG2 4.13Å; I160-T164 WeakPolarHBondContact O-CG2 3.26Å; I160-T164 PolarHBondContact O-N 2.96Å; I160-T164 PolarHBondContact O-OG1 2.76Å; I160-T164 VanDerWaalsContact O-OG1 3.1Å
161	A	93.8	Very high	92.3	Very high	28 Å²	28	63.2 Å²	63.2	23%	0.231	36%	0.355	C	S	.	.	H	α-helix	trans	-59	-40.7	178.2	0	0	0	0	0	112.5	E157 E158 M163 G165 D166	E157-A161 PolarHBondContact O-N 3.05Å; E158-A161 WeakPolarHBondContact O-CB 3.49Å; E158-A161 PolarHBondContact O-N 3.36Å; A161-M163 VanDerWaalsContact C-N 3.35Å; A161-M163 PolarHBondContact O-N 3.16Å; A161-G165 WeakPolarHBondContact O-CA 3.2Å; A161-G165 PolarHBondContact O-N 3.44Å; A161-D166 PolarHBondContact O-N 3.24Å; A161-D166 VanDerWaalsContact O-N 3.09Å
162	I	92.9	Very high	92.1	Very high	46 Å²	46	62.9 Å²	62.9	24%	0.236	35%	0.354	C	S	.	.	H	α-helix	trans	-57.2	-49.2	173.2	-65	165.6	0	0	0	110.7	F146 I154 E158 F159 I160 G165	F146-I162 HydrophobicContact CB-CD1 3.47Å; F146-I162 VanDerWaalsContact CB-CD1 3.47Å; F146-I162 HydrophobicContact CB-CG1 3.83Å; F146-I162 HydrophobicContact CD1-CD1 4.05Å; F146-I162 HydrophobicContact CD1-CG1 3.51Å; F146-I162 HydrophobicContact CD2-CD1 3.72Å; F146-I162 HydrophobicContact CD2-CG1 4.04Å; F146-I162 HydrophobicContact CE1-CG1 4.03Å; F146-I162 HydrophobicContact CE2-CD1 4.47Å; F146-I162 HydrophobicContact CG-CD1 3.47Å; F146-I162 VanDerWaalsContact CG-CD1 3.47Å; F146-I162 HydrophobicContact CG-CG1 3.51Å; I154-I162 HydrophobicContact CD1-CD1 4.21Å; I154-I162 HydrophobicContact CG2-CD1 4.06Å; E158-I162 VanDerWaalsContact O-CG1 3.28Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.29Å; F159-I162 WeakPolarHBondContact O-CB 3.36Å; F159-I162 PolarHBondContact O-N 3.47Å; I160-I162 VanDerWaalsContact C-N 3.31Å; I160-I162 PolarHBondContact O-N 3.27Å; I162-G165 PolarHBondContact O-N 3.45Å
163	M	92.9	Very high	91.8	Very high	103 Å²	103	64.4 Å²	64.4	51%	0.507	35%	0.35	S	S	.	.	H	α-helix	trans	-77.5	-24.1	-172.5	-64.9	-57.9	-64.7	0	0	113.6	I103 F159 I160 A161	I103-M163 HydrophobicContact CD1-CB 3.7Å; I103-M163 HydrophobicContact CG1-CB 3.73Å; I103-M163 HydrophobicContact CG1-CG 4.33Å; I103-M163 HydrophobicContact CG2-CB 4.03Å; I103-M163 HydrophobicContact CG2-CG 4.09Å; F159-M163 HydrophobicContact CD1-CG 4.07Å; F159-M163 HydrophobicContact CE1-CG 3.74Å; F159-M163 HydrophobicContact CE1-SD 4.49Å; F159-M163 HydrophobicContact CZ-CG 3.99Å; F159-M163 HydrophobicContact CZ-SD 4.18Å; F159-M163 VanDerWaalsContact O-CG 3.29Å; F159-M163 WeakPolarHBondContact O-CG 3.39Å; F159-M163 PolarHBondContact O-N 2.88Å; F159-M163 VanDerWaalsContact O-N 3.09Å; I160-M163 PolarHBondContact O-N 3.39Å; I160-M163 VanDerWaalsContact O-N 3.1Å; A161-M163 VanDerWaalsContact C-N 3.35Å; A161-M163 PolarHBondContact O-N 3.16Å
164	T	90	Very high	91.3	Very high	67 Å²	67	64.6 Å²	64.6	41%	0.411	35%	0.354	S	S	.	.	H	α-helix	trans	-92.4	-14.6	174.8	61.6	0	0	0	0	113.2	I103 I160 D166	I103-T164 HydrophobicContact CD1-CG2 3.82Å; I160-T164 HydrophobicContact CG2-CG2 4.13Å; I160-T164 WeakPolarHBondContact O-CG2 3.26Å; I160-T164 PolarHBondContact O-N 2.96Å; I160-T164 PolarHBondContact O-OG1 2.76Å; I160-T164 VanDerWaalsContact O-OG1 3.1Å; T164-D166 VanDerWaalsContact C-N 3.28Å; T164-D166 WeakPolarHBondContact CB-OD2 3.39Å; T164-D166 VanDerWaalsContact OG1-CG 3.3Å; T164-D166 PolarHBondContact OG1-OD2 3.32Å
165	G	86.2	Confident	90.8	Very high	54 Å²	54	68.8 Å²	68.8	56%	0.557	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	15.9	-173.9	0	0	0	0	0	113.6	A161 I162 I167	A161-G165 WeakPolarHBondContact O-CA 3.2Å; A161-G165 PolarHBondContact O-N 3.44Å; I162-G165 PolarHBondContact O-N 3.45Å; G165-I167 PolarHBondContact O-N 3.31Å
166	D	81.2	Confident	90.2	Very high	126 Å²	126	72.2 Å²	72.2	67%	0.674	40%	0.396	S	S	*	.			trans	-83.2	58.8	176.6	-65.4	-46.2	0	0	0	110.7	A161 T164	A161-D166 PolarHBondContact O-N 3.24Å; A161-D166 VanDerWaalsContact O-N 3.09Å; T164-D166 VanDerWaalsContact C-N 3.28Å; T164-D166 WeakPolarHBondContact CB-OD2 3.39Å; T164-D166 VanDerWaalsContact OG1-CG 3.3Å; T164-D166 PolarHBondContact OG1-OD2 3.32Å
167	I	63	Low	89.6	Confident	143 Å²	143	71.2 Å²	71.2	73%	0.733	40%	0.397	S	S	*	.			trans	-102.7	0	-178.8	-54.5	157.1	0	0	0	111.1	F146 G165	F146-I167 HydrophobicContact CD1-CD1 4.3Å; F146-I167 HydrophobicContact CE1-CD1 3.71Å; G165-I167 PolarHBondContact O-N 3.31Å

Retrieved 167 of 167 residues in 296.2 ms (Link to these results)

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