G4VBM1_SCHMA Loading...

MULE domain-containing protein

AlphaFold DB , UniProt , Accession G4VBM1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 265 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42	Very low	56.8	Low	248 Å²	248	131.8 Å²	131.8	100%	1.222	73%	0.729	S	S	*	*				0	114.9	0	-74.6	178.3	173.4	0	0	107.9	S3	M1-S3 PolarHBondContact O-N 2.83Å
2	A	45.1	Very low	58.1	Low	104 Å²	104	127 Å²	127	86%	0.86	71%	0.71	S	S	*	*			trans	-72.4	114.2	174.7	0	0	0	0	0	108.4	S4	A2-S4 PolarHBondContact O-N 3.15Å; A2-S4 VanDerWaalsContact O-N 3.17Å
3	S	49.1	Very low	59.8	Low	112 Å²	112	122.3 Å²	122.3	78%	0.783	68%	0.682	S	S	*	*			trans	-67	109.6	172.9	175.8	0	0	0	0	108.3	M1 K5	M1-S3 PolarHBondContact O-N 2.83Å; S3-K5 PolarHBondContact O-N 3.11Å; S3-K5 VanDerWaalsContact O-N 3.1Å
4	S	46.6	Very low	60.8	Low	107 Å²	107	126.1 Å²	126.1	75%	0.748	69%	0.688	S	S	*	*			trans	-69	104.7	170.8	61.2	0	0	0	0	108.1	A2 M6	A2-S4 PolarHBondContact O-N 3.15Å; A2-S4 VanDerWaalsContact O-N 3.17Å; S4-M6 PolarHBondContact O-N 2.64Å
5	K	50.8	Low	61.5	Low	192 Å²	192	127.1 Å²	127.1	84%	0.835	69%	0.686	S	S	*	*			trans	-65.4	99.5	167.3	-97.5	-177.9	174.3	178.4	0	108.1	S3 I7	S3-K5 PolarHBondContact O-N 3.11Å; S3-K5 VanDerWaalsContact O-N 3.1Å; K5-I7 PolarHBondContact O-N 3.12Å; K5-I7 VanDerWaalsContact O-N 3.14Å
6	M	55.2	Low	61.8	Low	144 Å²	144	125.8 Å²	125.8	71%	0.709	67%	0.669	S	S	*	*			trans	-73.5	102.3	172.3	-149.4	172.1	74.8	0	0	107.6	S4 H8	S4-M6 PolarHBondContact O-N 2.64Å; M6-H8 WeakPolarHBondContact CE-CE1 3.34Å; M6-H8 WeakPolarHBondContact CE-NE2 3.49Å; M6-H8 PolarHBondContact O-N 3.43Å
7	I	62.3	Low	62	Low	157 Å²	157	124 Å²	124	81%	0.805	66%	0.659	S	S	*	*			trans	-82.7	108.6	176.7	-59.2	172.2	0	0	0	106.7	K5	K5-I7 PolarHBondContact O-N 3.12Å; K5-I7 VanDerWaalsContact O-N 3.14Å
8	H	60.5	Low	62.2	Low	91 Å²	91	121.3 Å²	121.3	42%	0.421	65%	0.648	S	S	.	*			trans	-71.7	134.3	172.2	-65.9	-87.7	0	0	0	109.3	M6 H10 C12	M6-H8 WeakPolarHBondContact CE-CE1 3.34Å; M6-H8 WeakPolarHBondContact CE-NE2 3.49Å; M6-H8 PolarHBondContact O-N 3.43Å; H8-H10 WeakPolarHBondContact CB-O 3.34Å; H8-H10 AromaticContact ND1-CE1 3.7Å; H8-H10 PolarHBondContact O-N 3.27Å; H8-C12 PolarHBondContact CD2-SG 3.04Å
9	N	72.4	Confident	62.3	Low	157 Å²	157	119 Å²	119	84%	0.84	64%	0.636	S	S	*	*	S	Bend	trans	-79	12.2	174.6	65.1	-16.2	0	0	0	112.9
10	H	68.2	Low	62.6	Low	54 Å²	54	116.8 Å²	116.8	25%	0.25	62%	0.624	C	S	.	*	S	Bend	trans	-143.6	154.9	179.4	59	49.8	0	0	0	109.7	H8 C12 Y16	H8-H10 WeakPolarHBondContact CB-O 3.34Å; H8-H10 AromaticContact ND1-CE1 3.7Å; H8-H10 PolarHBondContact O-N 3.27Å; H10-C12 PolarHBondContact CE1-SG 3.08Å; H10-C12 PolarHBondContact O-N 2.94Å; H10-Y16 HydrophobicContact CB-CD2 4.33Å; H10-Y16 HydrophobicContact CB-CE1 4.43Å; H10-Y16 HydrophobicContact CB-CE2 3.79Å; H10-Y16 AromaticContact CD2-CE1 3.5Å; H10-Y16 VanDerWaalsContact CD2-CE1 3.5Å; H10-Y16 WeakPolarHBondContact CD2-CE1 3.27Å; H10-Y16 AromaticContact CD2-CZ 3.31Å; H10-Y16 PolarHBondContact CD2-OH 2.89Å; H10-Y16 AromaticContact CE1-CE1 3.59Å; H10-Y16 AromaticContact CG-CE1 3.67Å; H10-Y16 AromaticContact CG-CE2 3.93Å; H10-Y16 AromaticContact CG-CZ 3.48Å; H10-Y16 VanDerWaalsContact CG-CZ 3.48Å; H10-Y16 AromaticContact ND1-CE1 3.73Å; H10-Y16 AromaticContact NE2-CE1 3.45Å; H10-Y16 WeakPolarHBondContact NE2-CE1 3.47Å; H10-Y16 AromaticContact NE2-CZ 3.8Å
11	P	72.5	Confident	63	Low	84 Å²	84	116.7 Å²	116.7	55%	0.545	63%	0.628	S	S	.	*			trans	-64.8	120.8	172.5	22.9	-27.9	0	0	0	110.4	D13 Y16	P11-D13 PolarHBondContact O-N 2.78Å; P11-D13 VanDerWaalsContact O-N 3.08Å; P11-Y16 WeakPolarHBondContact O-CB 3.48Å
12	C	72.3	Confident	64.2	Low	74 Å²	74	108.8 Å²	108.8	50%	0.5	60%	0.596	S	S	.	*			trans	-83.2	56.1	172.3	-71.2	0	0	0	0	110.9	H8 H10	H8-C12 PolarHBondContact CD2-SG 3.04Å; H10-C12 PolarHBondContact CE1-SG 3.08Å; H10-C12 PolarHBondContact O-N 2.94Å
13	D	80	Confident	65.4	Low	66 Å²	66	109.9 Å²	109.9	35%	0.353	58%	0.581	S	S	.	*	S	Bend	trans	-97.9	170.5	176.8	64.2	37.7	0	0	0	111.8	P11 Q15 Y16 L17	P11-D13 PolarHBondContact O-N 2.78Å; P11-D13 VanDerWaalsContact O-N 3.08Å; D13-Q15 PolarHBondContact O-N 2.89Å; D13-Q15 WeakPolarHBondContact OD1-CA 3.38Å; D13-Q15 WeakPolarHBondContact OD1-CB 3.11Å; D13-Q15 PolarHBondContact OD1-N 3.36Å; D13-Y16 PolarHBondContact O-N 3.29Å; D13-Y16 PolarHBondContact OD1-N 3.11Å; D13-L17 WeakPolarHBondContact O-CG 3.38Å; D13-L17 PolarHBondContact O-N 2.94Å
14	K	73.7	Confident	66.5	Low	176 Å²	176	111.5 Å²	111.5	77%	0.765	57%	0.57	S	S	*	*	H	α-helix	trans	-57.4	-33.8	179.4	-172.5	178.5	179.7	-177.9	0	111.5	L17 T18	K14-L17 PolarHBondContact O-N 3.46Å; K14-T18 HydrophobicContact CG-CG2 4.36Å; K14-T18 WeakPolarHBondContact O-CB 3.36Å; K14-T18 VanDerWaalsContact O-CG2 3.27Å; K14-T18 WeakPolarHBondContact O-CG2 3.38Å; K14-T18 PolarHBondContact O-N 3.01Å; K14-T18 PolarHBondContact O-OG1 2.93Å
15	Q	72.6	Confident	68.1	Low	140 Å²	140	112.1 Å²	112.1	65%	0.654	56%	0.56	S	S	*	*	H	α-helix	trans	-70.5	-42.5	-177.1	-162.9	174.9	9.8	0	0	111	D13 T18 N19	D13-Q15 PolarHBondContact O-N 2.89Å; D13-Q15 WeakPolarHBondContact OD1-CA 3.38Å; D13-Q15 WeakPolarHBondContact OD1-CB 3.11Å; D13-Q15 PolarHBondContact OD1-N 3.36Å; Q15-T18 WeakPolarHBondContact CA-OG1 3.45Å; Q15-T18 PolarHBondContact O-N 2.72Å; Q15-T18 PolarHBondContact O-OG1 3.45Å; Q15-N19 PolarHBondContact O-N 3.09Å; Q15-N19 PolarHBondContact O-ND2 3.33Å
16	Y	65.8	Low	69.6	Low	107 Å²	107	103.6 Å²	103.6	42%	0.42	52%	0.523	S	S	.	.	H	α-helix	trans	-63.5	-44.9	173.6	-165.5	-91.5	0	0	0	111.3	H10 P11 D13 T18 N19 D20	H10-Y16 HydrophobicContact CB-CD2 4.33Å; H10-Y16 HydrophobicContact CB-CE1 4.43Å; H10-Y16 HydrophobicContact CB-CE2 3.79Å; H10-Y16 AromaticContact CD2-CE1 3.5Å; H10-Y16 VanDerWaalsContact CD2-CE1 3.5Å; H10-Y16 WeakPolarHBondContact CD2-CE1 3.27Å; H10-Y16 AromaticContact CD2-CZ 3.31Å; H10-Y16 PolarHBondContact CD2-OH 2.89Å; H10-Y16 AromaticContact CE1-CE1 3.59Å; H10-Y16 AromaticContact CG-CE1 3.67Å; H10-Y16 AromaticContact CG-CE2 3.93Å; H10-Y16 AromaticContact CG-CZ 3.48Å; H10-Y16 VanDerWaalsContact CG-CZ 3.48Å; H10-Y16 AromaticContact ND1-CE1 3.73Å; H10-Y16 AromaticContact NE2-CE1 3.45Å; H10-Y16 WeakPolarHBondContact NE2-CE1 3.47Å; H10-Y16 AromaticContact NE2-CZ 3.8Å; P11-Y16 WeakPolarHBondContact O-CB 3.48Å; D13-Y16 PolarHBondContact O-N 3.29Å; D13-Y16 PolarHBondContact OD1-N 3.11Å; Y16-T18 PolarHBondContact O-N 2.73Å; Y16-N19 WeakPolarHBondContact O-CB 3.32Å; Y16-N19 PolarHBondContact O-N 3.48Å; Y16-N19 VanDerWaalsContact O-N 3.11Å; Y16-D20 PolarHBondContact O-N 2.85Å
17	L	64.7	Low	71.1	Confident	95 Å²	95	99.1 Å²	99.1	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-63.5	-42.1	176.8	-69.7	171.6	0	0	0	112.3	D13 K14 N19 D20 F23	D13-L17 WeakPolarHBondContact O-CG 3.38Å; D13-L17 PolarHBondContact O-N 2.94Å; K14-L17 PolarHBondContact O-N 3.46Å; L17-N19 PolarHBondContact O-N 2.94Å; L17-D20 WeakPolarHBondContact O-CB 3.28Å; L17-D20 PolarHBondContact O-N 3.27Å; L17-F23 WeakPolarHBondContact O-CD2 3.31Å; L17-F23 WeakPolarHBondContact O-CE2 3.46Å
18	T	66.4	Low	71.9	Confident	75 Å²	75	95.6 Å²	95.6	46%	0.46	49%	0.489	S	S	.	.	H	α-helix	trans	-64.4	-20.4	175.8	50.4	0	0	0	0	113.4	K14 Q15 Y16 D20	K14-T18 HydrophobicContact CG-CG2 4.36Å; K14-T18 WeakPolarHBondContact O-CB 3.36Å; K14-T18 VanDerWaalsContact O-CG2 3.27Å; K14-T18 WeakPolarHBondContact O-CG2 3.38Å; K14-T18 PolarHBondContact O-N 3.01Å; K14-T18 PolarHBondContact O-OG1 2.93Å; Q15-T18 WeakPolarHBondContact CA-OG1 3.45Å; Q15-T18 PolarHBondContact O-N 2.72Å; Q15-T18 PolarHBondContact O-OG1 3.45Å; Y16-T18 PolarHBondContact O-N 2.73Å; T18-D20 VanDerWaalsContact C-N 3.35Å
19	N	64	Low	73.2	Confident	78 Å²	78	97.6 Å²	97.6	42%	0.417	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.9	175.2	-79.9	-37.9	0	0	0	113.6	Q15 Y16 L17 R24	Q15-N19 PolarHBondContact O-N 3.09Å; Q15-N19 PolarHBondContact O-ND2 3.33Å; Y16-N19 WeakPolarHBondContact O-CB 3.32Å; Y16-N19 PolarHBondContact O-N 3.48Å; Y16-N19 VanDerWaalsContact O-N 3.11Å; L17-N19 PolarHBondContact O-N 2.94Å; N19-R24 VanDerWaalsContact CB-NH2 3.33Å; N19-R24 PolarHBondContact O-NE 3.36Å; N19-R24 VanDerWaalsContact O-NE 3.11Å; N19-R24 PolarHBondContact OD1-NH2 3.47Å
20	D	67.3	Low	74	Confident	75 Å²	75	91.7 Å²	91.7	40%	0.401	47%	0.47	S	S	.	.	S	Bend	trans	-62.5	144.8	175.4	-169.1	-76.2	0	0	0	111.1	Y16 L17 T18 C22 F23 R24	Y16-D20 PolarHBondContact O-N 2.85Å; L17-D20 WeakPolarHBondContact O-CB 3.28Å; L17-D20 PolarHBondContact O-N 3.27Å; T18-D20 VanDerWaalsContact C-N 3.35Å; D20-C22 PolarHBondContact O-N 2.99Å; D20-C22 VanDerWaalsContact O-N 3.14Å; D20-C22 PolarHBondContact OD1-N 3.23Å; D20-C22 PolarHBondContact OD1-SG 3.19Å; D20-F23 HydrophobicContact CB-CD2 3.98Å; D20-F23 HydrophobicContact CB-CE2 4.39Å; D20-F23 PolarHBondContact O-N 3.11Å; D20-F23 VanDerWaalsContact O-N 3.11Å; D20-R24 PolarHBondContact O-N 3.18Å
21	V	71.2	Confident	74.8	Confident	115 Å²	115	90.1 Å²	90.1	70%	0.697	46%	0.463	S	S	*	.	H	α-helix	trans	-54.4	-34.4	-178.7	-179.6	0	0	0	0	111.5	F23 R24 K25	V21-F23 PolarHBondContact O-N 3.2Å; V21-R24 PolarHBondContact O-N 3.09Å; V21-K25 PolarHBondContact O-N 3.42Å; V21-K25 VanDerWaalsContact O-N 3.12Å
22	C	66.8	Low	75.2	Confident	82 Å²	82	92.9 Å²	92.9	55%	0.554	47%	0.469	S	S	*	.	H	α-helix	trans	-66	-34.7	-178.8	67.5	0	0	0	0	113.2	D20	D20-C22 PolarHBondContact O-N 2.99Å; D20-C22 VanDerWaalsContact O-N 3.14Å; D20-C22 PolarHBondContact OD1-N 3.23Å; D20-C22 PolarHBondContact OD1-SG 3.19Å
23	F	70.9	Confident	75.9	Confident	126 Å²	126	92.1 Å²	92.1	55%	0.553	46%	0.462	S	S	*	.	H	α-helix	trans	-81	-26.1	177.2	-62	-73.1	0	0	0	112.9	L17 D20 V21 K57	L17-F23 WeakPolarHBondContact O-CD2 3.31Å; L17-F23 WeakPolarHBondContact O-CE2 3.46Å; D20-F23 HydrophobicContact CB-CD2 3.98Å; D20-F23 HydrophobicContact CB-CE2 4.39Å; D20-F23 PolarHBondContact O-N 3.11Å; D20-F23 VanDerWaalsContact O-N 3.11Å; V21-F23 PolarHBondContact O-N 3.2Å; F23-K57 WeakPolarHBondContact O-CE 3.33Å
24	R	72.8	Confident	76.1	Confident	147 Å²	147	89.1 Å²	89.1	56%	0.555	45%	0.446	S	S	*	.	H	α-helix	trans	-77.1	-26.1	176.8	-67.1	178.7	174.8	175.5	0.4	113.3	N19 D20 V21	N19-R24 VanDerWaalsContact CB-NH2 3.33Å; N19-R24 PolarHBondContact O-NE 3.36Å; N19-R24 VanDerWaalsContact O-NE 3.11Å; N19-R24 PolarHBondContact OD1-NH2 3.47Å; D20-R24 PolarHBondContact O-N 3.18Å; V21-R24 PolarHBondContact O-N 3.09Å
25	K	79.9	Confident	76.5	Confident	120 Å²	120	84.4 Å²	84.4	52%	0.522	43%	0.428	S	S	.	.	S	Bend	trans	-68.6	135	-177.2	-170.8	-179.2	174.8	-176.2	0	111.5	V21 S27 K57	V21-K25 PolarHBondContact O-N 3.42Å; V21-K25 VanDerWaalsContact O-N 3.12Å; K25-S27 PolarHBondContact O-N 3.14Å; K25-K57 PolarHBondContact O-NZ 3.14Å
26	L	83.1	Confident	76.7	Confident	12 Å²	12	80.6 Å²	80.6	6%	0.063	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-57.2	134.9	169.5	-69.1	169	0	0	0	110.4	Q30 L31 V34 V51 F55 K57 I59	L26-Q30 HydrophobicContact CB-CB 4.11Å; L26-Q30 HydrophobicContact CD2-CB 3.91Å; L26-L31 HydrophobicContact CB-CD2 3.98Å; L26-L31 HydrophobicContact CB-CG 3.86Å; L26-L31 HydrophobicContact CD1-CD2 4Å; L26-V34 HydrophobicContact CD1-CB 4.37Å; L26-V34 HydrophobicContact CD1-CG1 4.4Å; L26-V34 HydrophobicContact CD1-CG2 4.07Å; L26-V51 HydrophobicContact CD2-CG1 3.87Å; L26-F55 HydrophobicContact CD2-CB 4.39Å; L26-F55 HydrophobicContact CD2-CD2 3.91Å; L26-F55 HydrophobicContact CD2-CG 4.45Å; L26-K57 HydrophobicContact CD2-CB 4.44Å; L26-K57 HydrophobicContact CD2-CD 3.87Å; L26-I59 HydrophobicContact CD1-CG2 4.18Å
27	S	84.9	Confident	77.4	Confident	51 Å²	51	77.8 Å²	77.8	36%	0.357	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-68.8	169.3	172.4	70.3	0	0	0	0	110.7	K25 D29 Q30 L31	K25-S27 PolarHBondContact O-N 3.14Å; S27-D29 VanDerWaalsContact C-N 3.31Å; S27-D29 PolarHBondContact O-N 3.34Å; S27-Q30 PolarHBondContact O-N 3.32Å; S27-Q30 VanDerWaalsContact OG-CG 3.22Å; S27-Q30 WeakPolarHBondContact OG-CG 3.23Å; S27-Q30 PolarHBondContact OG-N 2.68Å; S27-Q30 PolarHBondContact OG-OE1 3.06Å; S27-L31 WeakPolarHBondContact O-CB 3.37Å; S27-L31 WeakPolarHBondContact O-CG 3.48Å; S27-L31 PolarHBondContact O-N 3.07Å
28	D	79.4	Confident	78	Confident	82 Å²	82	73.2 Å²	73.2	44%	0.439	38%	0.383	S	S	.	.	H	α-helix	trans	-64	-40.5	-177.2	-67.6	5.5	0	0	0	111.3	L31 Q32 R102	D28-L31 WeakPolarHBondContact O-CB 3.45Å; D28-L31 PolarHBondContact O-N 3.17Å; D28-Q32 WeakPolarHBondContact O-CG 3.41Å; D28-Q32 PolarHBondContact O-N 3.11Å; D28-R102 IonicContact OD1-CZ 3Å; D28-R102 IonicContact OD1-NH1 2.62Å; D28-R102 PolarHBondContact OD1-NH1 3.26Å; D28-R102 IonicContact OD1-NH2 2.69Å; D28-R102 PolarHBondContact OD1-NH2 3.32Å; D28-R102 IonicContact OD2-CZ 3.41Å; D28-R102 IonicContact OD2-NH1 3.73Å; D28-R102 IonicContact OD2-NH2 2.87Å; D28-R102 PolarHBondContact OD2-NH2 2.97Å
29	D	88.3	Confident	78.1	Confident	133 Å²	133	72.9 Å²	72.9	71%	0.711	38%	0.381	S	S	*	.	H	α-helix	trans	-65.4	-40.3	175.7	-53.9	-36.8	0	0	0	111.7	S27 Q32 V33	S27-D29 VanDerWaalsContact C-N 3.31Å; S27-D29 PolarHBondContact O-N 3.34Å; D29-Q32 PolarHBondContact O-N 2.92Å; D29-V33 PolarHBondContact O-N 2.81Å
30	Q	89.7	Confident	78.4	Confident	33 Å²	33	74.3 Å²	74.3	15%	0.154	39%	0.393	C	S	.	.	H	α-helix	trans	-63.8	-42.2	174.9	-69.4	173.3	-24.7	0	0	111	L26 S27 Q32 V33 V34 F55	L26-Q30 HydrophobicContact CB-CB 4.11Å; L26-Q30 HydrophobicContact CD2-CB 3.91Å; S27-Q30 PolarHBondContact O-N 3.32Å; S27-Q30 VanDerWaalsContact OG-CG 3.22Å; S27-Q30 WeakPolarHBondContact OG-CG 3.23Å; S27-Q30 PolarHBondContact OG-N 2.68Å; S27-Q30 PolarHBondContact OG-OE1 3.06Å; Q30-Q32 VanDerWaalsContact C-N 3.31Å; Q30-Q32 PolarHBondContact O-N 2.7Å; Q30-V33 PolarHBondContact O-N 2.85Å; Q30-V33 VanDerWaalsContact O-N 3.14Å; Q30-V34 WeakPolarHBondContact O-CG2 3.28Å; Q30-V34 PolarHBondContact O-N 3.41Å; Q30-F55 HydrophobicContact CB-CD2 4.23Å; Q30-F55 HydrophobicContact CB-CE2 4.19Å; Q30-F55 HydrophobicContact CB-CG 4.43Å; Q30-F55 HydrophobicContact CB-CZ 4.33Å; Q30-F55 HydrophobicContact CG-CD1 3.72Å; Q30-F55 HydrophobicContact CG-CD2 4.2Å; Q30-F55 HydrophobicContact CG-CE1 3.9Å; Q30-F55 HydrophobicContact CG-CE2 4.35Å; Q30-F55 HydrophobicContact CG-CG 3.89Å; Q30-F55 HydrophobicContact CG-CZ 4.21Å
31	L	83.6	Confident	78.2	Confident	22 Å²	22	72.8 Å²	72.8	12%	0.115	40%	0.395	C	S	.	.	H	α-helix	trans	-62.1	-36.8	176.7	-76.8	169.1	0	0	0	112.3	L26 S27 D28 V33 V34 I35 Y63	L26-L31 HydrophobicContact CB-CD2 3.98Å; L26-L31 HydrophobicContact CB-CG 3.86Å; L26-L31 HydrophobicContact CD1-CD2 4Å; S27-L31 WeakPolarHBondContact O-CB 3.37Å; S27-L31 WeakPolarHBondContact O-CG 3.48Å; S27-L31 PolarHBondContact O-N 3.07Å; D28-L31 WeakPolarHBondContact O-CB 3.45Å; D28-L31 PolarHBondContact O-N 3.17Å; L31-V33 PolarHBondContact O-N 3.28Å; L31-V34 PolarHBondContact O-N 2.93Å; L31-I35 HydrophobicContact CB-CD1 4.15Å; L31-I35 HydrophobicContact CD2-CD1 4.48Å; L31-I35 VanDerWaalsContact O-CB 3.31Å; L31-I35 WeakPolarHBondContact O-CB 3.28Å; L31-I35 VanDerWaalsContact O-CG1 3.25Å; L31-I35 WeakPolarHBondContact O-CG1 3.46Å; L31-I35 PolarHBondContact O-N 3.15Å; L31-Y63 WeakPolarHBondContact CD2-OH 3.11Å
32	Q	82.6	Confident	78.2	Confident	141 Å²	141	69.2 Å²	69.2	66%	0.659	38%	0.375	S	S	*	.	H	α-helix	trans	-62.4	-26.6	176.2	-70.7	-66.8	-12	0	0	112.9	D28 D29 Q30 P36	D28-Q32 WeakPolarHBondContact O-CG 3.41Å; D28-Q32 PolarHBondContact O-N 3.11Å; D29-Q32 PolarHBondContact O-N 2.92Å; Q30-Q32 VanDerWaalsContact C-N 3.31Å; Q30-Q32 PolarHBondContact O-N 2.7Å; Q32-P36 WeakPolarHBondContact O-CD 3.38Å; Q32-P36 VanDerWaalsContact O-CG 3.28Å; Q32-P36 WeakPolarHBondContact O-CG 3.33Å
33	V	86.6	Confident	79	Confident	59 Å²	59	68.7 Å²	68.7	36%	0.358	37%	0.367	S	S	.	.	H	α-helix	trans	-83	-46.9	174.1	-178.6	0	0	0	0	111.1	D29 Q30 L31 P36 M37 Y50 F55	D29-V33 PolarHBondContact O-N 2.81Å; Q30-V33 PolarHBondContact O-N 2.85Å; Q30-V33 VanDerWaalsContact O-N 3.14Å; L31-V33 PolarHBondContact O-N 3.28Å; V33-P36 WeakPolarHBondContact O-CD 3.45Å; V33-M37 HydrophobicContact CG1-SD 4.18Å; V33-M37 WeakPolarHBondContact O-CG 3.18Å; V33-Y50 HydrophobicContact CG1-CE1 3.9Å; V33-F55 HydrophobicContact CB-CZ 4.21Å; V33-F55 HydrophobicContact CG1-CZ 4.28Å
34	V	83.9	Confident	79.4	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.012	35%	0.346	C	S	.	.	H	α-helix	trans	-72.1	-39.9	-173.2	179.4	0	0	0	0	112.4	L26 Q30 L31 M37 V38 V51 F55 I59	L26-V34 HydrophobicContact CD1-CB 4.37Å; L26-V34 HydrophobicContact CD1-CG1 4.4Å; L26-V34 HydrophobicContact CD1-CG2 4.07Å; Q30-V34 WeakPolarHBondContact O-CG2 3.28Å; Q30-V34 PolarHBondContact O-N 3.41Å; L31-V34 PolarHBondContact O-N 2.93Å; V34-M37 PolarHBondContact O-N 2.85Å; V34-V38 HydrophobicContact CG1-CG2 3.78Å; V34-V38 VanDerWaalsContact O-CG2 3.27Å; V34-V38 WeakPolarHBondContact O-CG2 3.24Å; V34-V38 PolarHBondContact O-N 2.97Å; V34-V51 HydrophobicContact CB-CG2 4.46Å; V34-V51 HydrophobicContact CG1-CG2 4.1Å; V34-V51 HydrophobicContact CG2-CG2 3.44Å; V34-V51 VanDerWaalsContact CG2-CG2 3.44Å; V34-F55 HydrophobicContact CG2-CD2 4.26Å; V34-F55 HydrophobicContact CG2-CE2 3.67Å; V34-I59 HydrophobicContact CG1-CD1 4.37Å
35	I	81.6	Confident	80	Confident	77 Å²	77	63.5 Å²	63.5	40%	0.395	35%	0.352	S	S	.	.	H	α-helix	trans	-57.5	-52	-176	-72.6	168.5	0	0	0	111.4	L31 M37 V38 T39	L31-I35 HydrophobicContact CB-CD1 4.15Å; L31-I35 HydrophobicContact CD2-CD1 4.48Å; L31-I35 VanDerWaalsContact O-CB 3.31Å; L31-I35 WeakPolarHBondContact O-CB 3.28Å; L31-I35 VanDerWaalsContact O-CG1 3.25Å; L31-I35 WeakPolarHBondContact O-CG1 3.46Å; L31-I35 PolarHBondContact O-N 3.15Å; I35-M37 PolarHBondContact O-N 3.06Å; I35-V38 PolarHBondContact O-N 3.45Å; I35-T39 HydrophobicContact CG2-CG2 4.09Å; I35-T39 WeakPolarHBondContact O-CB 3.33Å; I35-T39 VanDerWaalsContact O-CG2 3.29Å; I35-T39 WeakPolarHBondContact O-CG2 3.25Å; I35-T39 PolarHBondContact O-N 2.95Å; I35-T39 PolarHBondContact O-OG1 3.16Å
36	P	76.9	Confident	80.3	Confident	60 Å²	60	64.1 Å²	64.1	39%	0.39	36%	0.357	S	S	.	.	H	α-helix	trans	-54.1	-51.4	175	-27.2	34.7	0	0	0	112.7	Q32 V33 V38 T39 T40	Q32-P36 WeakPolarHBondContact O-CD 3.38Å; Q32-P36 VanDerWaalsContact O-CG 3.28Å; Q32-P36 WeakPolarHBondContact O-CG 3.33Å; V33-P36 WeakPolarHBondContact O-CD 3.45Å; P36-V38 PolarHBondContact O-N 3.23Å; P36-T39 WeakPolarHBondContact CA-OG1 3.45Å; P36-T39 PolarHBondContact O-N 2.98Å; P36-T39 PolarHBondContact O-OG1 3.03Å; P36-T40 WeakPolarHBondContact O-CG2 3.5Å; P36-T40 PolarHBondContact O-N 3.38Å; P36-T40 PolarHBondContact O-OG1 2.92Å
37	M	81.7	Confident	80.4	Confident	48 Å²	48	63.7 Å²	63.7	24%	0.236	36%	0.355	C	S	.	.	H	α-helix	trans	-54.8	-41.7	-179	-67.6	177.5	66.9	0	0	112.2	V33 V34 I35 T40 S42 Y50	V33-M37 HydrophobicContact CG1-SD 4.18Å; V33-M37 WeakPolarHBondContact O-CG 3.18Å; V34-M37 PolarHBondContact O-N 2.85Å; I35-M37 PolarHBondContact O-N 3.06Å; M37-T40 PolarHBondContact O-OG1 3.38Å; M37-S42 WeakPolarHBondContact O-CB 3.39Å; M37-S42 PolarHBondContact O-OG 3.45Å; M37-Y50 HydrophobicContact CE-CD1 3.78Å; M37-Y50 HydrophobicContact CE-CD2 3.91Å; M37-Y50 HydrophobicContact CE-CE1 4.3Å; M37-Y50 HydrophobicContact CE-CE2 4.42Å; M37-Y50 HydrophobicContact CE-CG 3.57Å; M37-Y50 HydrophobicContact SD-CD1 3.71Å; M37-Y50 HydrophobicContact SD-CE1 3.74Å; M37-Y50 HydrophobicContact SD-CG 4.12Å
38	V	76.1	Confident	80.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-70.8	-50.4	177.4	177.7	0	0	0	0	110.2	V34 I35 P36 T40 G41 N47 V64 K68	V34-V38 HydrophobicContact CG1-CG2 3.78Å; V34-V38 VanDerWaalsContact O-CG2 3.27Å; V34-V38 WeakPolarHBondContact O-CG2 3.24Å; V34-V38 PolarHBondContact O-N 2.97Å; I35-V38 PolarHBondContact O-N 3.45Å; P36-V38 PolarHBondContact O-N 3.23Å; V38-T40 VanDerWaalsContact C-N 3.33Å; V38-T40 PolarHBondContact O-N 3.42Å; V38-G41 PolarHBondContact O-N 3.11Å; V38-G41 VanDerWaalsContact O-N 3.15Å; V38-N47 HydrophobicContact CG2-CB 4.5Å; V38-V64 HydrophobicContact CB-CG1 4.44Å; V38-V64 HydrophobicContact CG1-CB 4.37Å; V38-V64 HydrophobicContact CG1-CG1 3.76Å; V38-V64 WeakPolarHBondContact CG1-O 3.44Å; V38-V64 HydrophobicContact CG2-CG1 4.05Å; V38-V64 HydrophobicContact CG2-CG2 4.37Å; V38-K68 HydrophobicContact CG1-CG 3.92Å; V38-K68 WeakPolarHBondContact O-CG 3.2Å
39	T	68.7	Low	81	Confident	68 Å²	68	64.3 Å²	64.3	42%	0.417	35%	0.348	S	S	.	.	H	α-helix	trans	-64.8	-27.3	-176.2	56.2	0	0	0	0	115	I35 P36 G41 S67	I35-T39 HydrophobicContact CG2-CG2 4.09Å; I35-T39 WeakPolarHBondContact O-CB 3.33Å; I35-T39 VanDerWaalsContact O-CG2 3.29Å; I35-T39 WeakPolarHBondContact O-CG2 3.25Å; I35-T39 PolarHBondContact O-N 2.95Å; I35-T39 PolarHBondContact O-OG1 3.16Å; P36-T39 WeakPolarHBondContact CA-OG1 3.45Å; P36-T39 PolarHBondContact O-N 2.98Å; P36-T39 PolarHBondContact O-OG1 3.03Å; T39-G41 PolarHBondContact O-N 2.71Å; T39-S67 WeakPolarHBondContact CG2-O 3.19Å
40	T	71.5	Confident	81.2	Confident	107 Å²	107	61.7 Å²	61.7	66%	0.656	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-0.2	177.2	55.2	0	0	0	0	113.5	P36 M37 V38 S42	P36-T40 WeakPolarHBondContact O-CG2 3.5Å; P36-T40 PolarHBondContact O-N 3.38Å; P36-T40 PolarHBondContact O-OG1 2.92Å; M37-T40 PolarHBondContact O-OG1 3.38Å; V38-T40 VanDerWaalsContact C-N 3.33Å; V38-T40 PolarHBondContact O-N 3.42Å; T40-S42 PolarHBondContact OG1-OG 3.2Å
41	G	61.3	Low	81.2	Confident	44 Å²	44	60.1 Å²	60.1	45%	0.454	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	5.9	175	0	0	0	0	0	114.8	V38 T39 K68	V38-G41 PolarHBondContact O-N 3.11Å; V38-G41 VanDerWaalsContact O-N 3.15Å; T39-G41 PolarHBondContact O-N 2.71Å; G41-K68 PolarHBondContact O-NZ 3.09Å
42	S	72.6	Confident	81.6	Confident	40 Å²	40	63 Å²	63	28%	0.28	33%	0.334	S	S	.	.			trans	-51.8	144.8	178.3	-42.6	0	0	0	0	112.1	M37 T40 N47 K68	M37-S42 WeakPolarHBondContact O-CB 3.39Å; M37-S42 PolarHBondContact O-OG 3.45Å; T40-S42 PolarHBondContact OG1-OG 3.2Å; S42-N47 WeakPolarHBondContact CB-OD1 3.34Å; S42-N47 PolarHBondContact O-ND2 3.36Å; S42-N47 VanDerWaalsContact O-ND2 3.14Å; S42-K68 WeakPolarHBondContact O-CE 3.38Å; S42-K68 PolarHBondContact O-NZ 3.4Å
43	D	82.1	Confident	82.1	Confident	71 Å²	71	62.6 Å²	62.6	38%	0.38	33%	0.332	S	S	.	.			trans	-51	131.7	-175	176.1	-95.8	0	0	0	112.4	E45 Q46 N47	D43-E45 VanDerWaalsContact C-N 3.31Å; D43-E45 PolarHBondContact O-N 3.28Å; D43-E45 WeakPolarHBondContact OD1-CA 3.42Å; D43-E45 WeakPolarHBondContact OD1-CB 3.48Å; D43-E45 PolarHBondContact OD1-N 3.28Å; D43-Q46 HydrophobicContact CB-CB 4.13Å; D43-Q46 HydrophobicContact CB-CG 3.97Å; D43-Q46 PolarHBondContact O-N 3.15Å; D43-Q46 PolarHBondContact OD1-N 3.06Å; D43-N47 PolarHBondContact O-N 2.93Å; D43-N47 PolarHBondContact O-ND2 2.95Å
44	P	80.3	Confident	82.5	Confident	19 Å²	19	64 Å²	64	12%	0.123	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-34.5	-175.9	-23.4	34.2	0	0	0	115	N47 I48 V61 V64 N65	P44-N47 PolarHBondContact O-N 3.28Å; P44-I48 WeakPolarHBondContact O-CD1 3.24Å; P44-I48 VanDerWaalsContact O-CG1 3.25Å; P44-I48 WeakPolarHBondContact O-CG1 3.12Å; P44-I48 PolarHBondContact O-N 2.94Å; P44-V61 HydrophobicContact CB-CG1 3.96Å; P44-V61 HydrophobicContact CB-CG2 4.46Å; P44-V64 HydrophobicContact CB-CB 4.19Å; P44-V64 HydrophobicContact CB-CG1 3.84Å; P44-V64 HydrophobicContact CG-CG1 4.26Å; P44-N65 WeakPolarHBondContact CG-OD1 3.41Å
45	E	84.9	Confident	82.9	Confident	145 Å²	145	66.1 Å²	66.1	68%	0.678	35%	0.347	S	S	*	.	H	α-helix	trans	-72.1	-38.9	179.7	-60	176.2	170.6	0	0	110.2	D43 N47 I48 K49	D43-E45 VanDerWaalsContact C-N 3.31Å; D43-E45 PolarHBondContact O-N 3.28Å; D43-E45 WeakPolarHBondContact OD1-CA 3.42Å; D43-E45 WeakPolarHBondContact OD1-CB 3.48Å; D43-E45 PolarHBondContact OD1-N 3.28Å; E45-N47 VanDerWaalsContact C-N 3.34Å; E45-N47 PolarHBondContact O-N 3.46Å; E45-I48 PolarHBondContact O-N 2.91Å; E45-K49 WeakPolarHBondContact O-CB 3.31Å; E45-K49 PolarHBondContact O-N 2.93Å
46	Q	86.8	Confident	83.1	Confident	133 Å²	133	65.9 Å²	65.9	62%	0.621	36%	0.364	S	S	*	.	H	α-helix	trans	-61.9	-40.6	172	-68.2	-172.7	-7.2	0	0	112.5	D43 K49 Y50	D43-Q46 HydrophobicContact CB-CB 4.13Å; D43-Q46 HydrophobicContact CB-CG 3.97Å; D43-Q46 PolarHBondContact O-N 3.15Å; D43-Q46 PolarHBondContact OD1-N 3.06Å; Q46-K49 PolarHBondContact O-N 3.43Å; Q46-Y50 WeakPolarHBondContact O-CB 3.24Å; Q46-Y50 PolarHBondContact O-N 2.87Å
47	N	85.3	Confident	83.6	Confident	3 Å²	3	65 Å²	65	2%	0.016	35%	0.354	C	S	.	.	H	α-helix	trans	-65.1	-41.9	177.1	-71	-25.5	0	0	0	112	V38 S42 D43 P44 E45 Y50 V51 V64	V38-N47 HydrophobicContact CG2-CB 4.5Å; S42-N47 WeakPolarHBondContact CB-OD1 3.34Å; S42-N47 PolarHBondContact O-ND2 3.36Å; S42-N47 VanDerWaalsContact O-ND2 3.14Å; D43-N47 PolarHBondContact O-N 2.93Å; D43-N47 PolarHBondContact O-ND2 2.95Å; P44-N47 PolarHBondContact O-N 3.28Å; E45-N47 VanDerWaalsContact C-N 3.34Å; E45-N47 PolarHBondContact O-N 3.46Å; N47-Y50 PolarHBondContact O-N 3.13Å; N47-V51 WeakPolarHBondContact O-CG2 3.48Å; N47-V51 PolarHBondContact O-N 3.01Å; N47-V51 VanDerWaalsContact O-N 3.11Å; N47-V64 HydrophobicContact CB-CG1 4.26Å; N47-V64 HydrophobicContact CB-CG2 4.17Å; N47-V64 WeakPolarHBondContact ND2-CG1 3.11Å
48	I	85.7	Confident	83.6	Confident	26 Å²	26	67.8 Å²	67.8	13%	0.133	37%	0.374	C	S	.	.	H	α-helix	trans	-61.2	-50.7	175.9	-68	161.2	0	0	0	109.7	P44 E45 Y50 V51 E52 I59 V61 V64	P44-I48 WeakPolarHBondContact O-CD1 3.24Å; P44-I48 VanDerWaalsContact O-CG1 3.25Å; P44-I48 WeakPolarHBondContact O-CG1 3.12Å; P44-I48 PolarHBondContact O-N 2.94Å; E45-I48 PolarHBondContact O-N 2.91Å; I48-Y50 VanDerWaalsContact C-N 3.31Å; I48-Y50 PolarHBondContact O-N 3.32Å; I48-V51 PolarHBondContact O-N 3.37Å; I48-V51 VanDerWaalsContact O-N 3.1Å; I48-E52 HydrophobicContact CG2-CG 4.41Å; I48-E52 WeakPolarHBondContact O-CG 3.38Å; I48-E52 PolarHBondContact O-N 3.46Å; I48-I59 HydrophobicContact CB-CG1 4.46Å; I48-I59 HydrophobicContact CG1-CG1 3.99Å; I48-V61 HydrophobicContact CD1-CB 4.29Å; I48-V61 HydrophobicContact CD1-CG2 3.38Å; I48-V64 HydrophobicContact CG1-CG2 4.34Å
49	K	90.6	Very high	83.8	Confident	119 Å²	119	68.8 Å²	68.8	52%	0.517	38%	0.379	S	S	.	.	H	α-helix	trans	-58.5	-43.2	-179.9	-173.4	173.8	175.8	178.8	0	111.8	E45 Q46 V51 E52 E53	E45-K49 WeakPolarHBondContact O-CB 3.31Å; E45-K49 PolarHBondContact O-N 2.93Å; Q46-K49 PolarHBondContact O-N 3.43Å; K49-V51 VanDerWaalsContact C-N 3.34Å; K49-V51 PolarHBondContact O-N 3.18Å; K49-E52 PolarHBondContact O-N 3.21Å; K49-E53 WeakPolarHBondContact CE-OE1 3.36Å; K49-E53 HydrophobicContact CG-CG 4.3Å; K49-E53 IonicContact NZ-OE1 3.82Å; K49-E53 WeakPolarHBondContact O-CB 3.14Å; K49-E53 WeakPolarHBondContact O-CG 3.45Å; K49-E53 PolarHBondContact O-N 2.85Å
50	Y	92.9	Very high	84.2	Confident	78 Å²	78	69.6 Å²	69.6	31%	0.306	38%	0.384	S	S	.	.	H	α-helix	trans	-58.9	-45.3	175.6	-178	-87.9	0	0	0	112.1	V33 M37 Q46 N47 I48 E52 E53 N54 F55	V33-Y50 HydrophobicContact CG1-CE1 3.9Å; M37-Y50 HydrophobicContact CE-CD1 3.78Å; M37-Y50 HydrophobicContact CE-CD2 3.91Å; M37-Y50 HydrophobicContact CE-CE1 4.3Å; M37-Y50 HydrophobicContact CE-CE2 4.42Å; M37-Y50 HydrophobicContact CE-CG 3.57Å; M37-Y50 HydrophobicContact SD-CD1 3.71Å; M37-Y50 HydrophobicContact SD-CE1 3.74Å; M37-Y50 HydrophobicContact SD-CG 4.12Å; Q46-Y50 WeakPolarHBondContact O-CB 3.24Å; Q46-Y50 PolarHBondContact O-N 2.87Å; N47-Y50 PolarHBondContact O-N 3.13Å; I48-Y50 VanDerWaalsContact C-N 3.31Å; I48-Y50 PolarHBondContact O-N 3.32Å; Y50-E52 VanDerWaalsContact C-N 3.35Å; Y50-E53 PolarHBondContact O-N 3.12Å; Y50-N54 VanDerWaalsContact CD2-ND2 3.31Å; Y50-N54 WeakPolarHBondContact CD2-ND2 3.41Å; Y50-N54 HydrophobicContact CE1-CB 4.19Å; Y50-N54 WeakPolarHBondContact CE2-ND2 3.26Å; Y50-N54 VanDerWaalsContact O-CB 3.29Å; Y50-N54 WeakPolarHBondContact O-CB 3.27Å; Y50-N54 PolarHBondContact O-N 2.91Å; Y50-N54 PolarHBondContact O-ND2 3.22Å; Y50-F55 HydrophobicContact CD1-CE2 4.47Å; Y50-F55 HydrophobicContact CE1-CE2 4.05Å; Y50-F55 HydrophobicContact CE1-CZ 4.08Å
51	V	90	Very high	84	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.006	37%	0.371	C	S	.	.	H	α-helix	trans	-68.5	-36.1	-178.9	172.5	0	0	0	0	111.5	L26 V34 N47 I48 K49 F55 G56 K57 I59	L26-V51 HydrophobicContact CD2-CG1 3.87Å; V34-V51 HydrophobicContact CB-CG2 4.46Å; V34-V51 HydrophobicContact CG1-CG2 4.1Å; V34-V51 HydrophobicContact CG2-CG2 3.44Å; V34-V51 VanDerWaalsContact CG2-CG2 3.44Å; N47-V51 WeakPolarHBondContact O-CG2 3.48Å; N47-V51 PolarHBondContact O-N 3.01Å; N47-V51 VanDerWaalsContact O-N 3.11Å; I48-V51 PolarHBondContact O-N 3.37Å; I48-V51 VanDerWaalsContact O-N 3.1Å; K49-V51 VanDerWaalsContact C-N 3.34Å; K49-V51 PolarHBondContact O-N 3.18Å; V51-F55 HydrophobicContact CB-CD2 4.34Å; V51-F55 HydrophobicContact CG1-CD2 4.1Å; V51-F55 HydrophobicContact CG2-CD2 4.2Å; V51-F55 HydrophobicContact CG2-CE2 4.42Å; V51-F55 WeakPolarHBondContact O-CA 3.39Å; V51-F55 VanDerWaalsContact O-CB 3.3Å; V51-F55 WeakPolarHBondContact O-CB 3.42Å; V51-F55 PolarHBondContact O-N 3.04Å; V51-G56 PolarHBondContact O-N 3.43Å; V51-K57 CarbonylContact C-O 3.5Å; V51-K57 VanDerWaalsContact C-O 3.28Å; V51-K57 HydrophobicContact CG1-CB 4.2Å; V51-K57 WeakPolarHBondContact CG1-O 3.44Å; V51-I59 HydrophobicContact CB-CD1 4.13Å; V51-I59 HydrophobicContact CB-CG1 4.11Å; V51-I59 HydrophobicContact CG1-CD1 4.37Å; V51-I59 HydrophobicContact CG1-CG1 4.13Å; V51-I59 HydrophobicContact CG1-CG2 3.9Å; V51-I59 HydrophobicContact CG2-CD1 3.81Å; V51-I59 HydrophobicContact CG2-CG1 4.35Å
52	E	90.9	Very high	84	Confident	81 Å²	81	71.5 Å²	71.5	38%	0.379	38%	0.378	S	S	.	.	H	α-helix	trans	-65.5	-49.7	173.4	-72.8	-176.2	155.8	0	0	111.6	I48 K49 Y50 G56 K57 T58	I48-E52 HydrophobicContact CG2-CG 4.41Å; I48-E52 WeakPolarHBondContact O-CG 3.38Å; I48-E52 PolarHBondContact O-N 3.46Å; K49-E52 PolarHBondContact O-N 3.21Å; Y50-E52 VanDerWaalsContact C-N 3.35Å; E52-G56 VanDerWaalsContact O-CA 3.25Å; E52-G56 WeakPolarHBondContact O-CA 3.27Å; E52-G56 PolarHBondContact O-N 2.98Å; E52-K57 VanDerWaalsContact CA-O 3.27Å; E52-K57 WeakPolarHBondContact CA-O 3.44Å; E52-K57 VanDerWaalsContact CG-O 3.3Å; E52-K57 WeakPolarHBondContact CG-O 3.36Å; E52-K57 PolarHBondContact N-O 3.37Å; E52-T58 WeakPolarHBondContact OE1-CB 3.33Å; E52-T58 WeakPolarHBondContact OE1-CG2 3.44Å; E52-T58 PolarHBondContact OE1-OG1 2.83Å
53	E	93.7	Very high	83.5	Confident	133 Å²	133	73.7 Å²	73.7	62%	0.621	38%	0.38	S	S	*	.	H	α-helix	trans	-70	-38.1	-176	-71	176	164.4	0	0	113	K49 Y50	K49-E53 WeakPolarHBondContact CE-OE1 3.36Å; K49-E53 HydrophobicContact CG-CG 4.3Å; K49-E53 IonicContact NZ-OE1 3.82Å; K49-E53 WeakPolarHBondContact O-CB 3.14Å; K49-E53 WeakPolarHBondContact O-CG 3.45Å; K49-E53 PolarHBondContact O-N 2.85Å; Y50-E53 PolarHBondContact O-N 3.12Å
54	N	94.6	Very high	82.3	Confident	90 Å²	90	70.3 Å²	70.3	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-94.6	-28.4	-173.9	-67.5	-91.3	0	0	0	113.2	Y50	Y50-N54 VanDerWaalsContact CD2-ND2 3.31Å; Y50-N54 WeakPolarHBondContact CD2-ND2 3.41Å; Y50-N54 HydrophobicContact CE1-CB 4.19Å; Y50-N54 WeakPolarHBondContact CE2-ND2 3.26Å; Y50-N54 VanDerWaalsContact O-CB 3.29Å; Y50-N54 WeakPolarHBondContact O-CB 3.27Å; Y50-N54 PolarHBondContact O-N 2.91Å; Y50-N54 PolarHBondContact O-ND2 3.22Å
55	F	92.1	Very high	81.3	Confident	45 Å²	45	72.7 Å²	72.7	20%	0.197	37%	0.374	C	S	.	.	H	α-helix	trans	-119.4	-4.3	-174.3	-52.7	-40.6	0	0	0	114	L26 Q30 V33 V34 Y50 V51 K57	L26-F55 HydrophobicContact CD2-CB 4.39Å; L26-F55 HydrophobicContact CD2-CD2 3.91Å; L26-F55 HydrophobicContact CD2-CG 4.45Å; Q30-F55 HydrophobicContact CB-CD2 4.23Å; Q30-F55 HydrophobicContact CB-CE2 4.19Å; Q30-F55 HydrophobicContact CB-CG 4.43Å; Q30-F55 HydrophobicContact CB-CZ 4.33Å; Q30-F55 HydrophobicContact CG-CD1 3.72Å; Q30-F55 HydrophobicContact CG-CD2 4.2Å; Q30-F55 HydrophobicContact CG-CE1 3.9Å; Q30-F55 HydrophobicContact CG-CE2 4.35Å; Q30-F55 HydrophobicContact CG-CG 3.89Å; Q30-F55 HydrophobicContact CG-CZ 4.21Å; V33-F55 HydrophobicContact CB-CZ 4.21Å; V33-F55 HydrophobicContact CG1-CZ 4.28Å; V34-F55 HydrophobicContact CG2-CD2 4.26Å; V34-F55 HydrophobicContact CG2-CE2 3.67Å; Y50-F55 HydrophobicContact CD1-CE2 4.47Å; Y50-F55 HydrophobicContact CE1-CE2 4.05Å; Y50-F55 HydrophobicContact CE1-CZ 4.08Å; V51-F55 HydrophobicContact CB-CD2 4.34Å; V51-F55 HydrophobicContact CG1-CD2 4.1Å; V51-F55 HydrophobicContact CG2-CD2 4.2Å; V51-F55 HydrophobicContact CG2-CE2 4.42Å; V51-F55 WeakPolarHBondContact O-CA 3.39Å; V51-F55 VanDerWaalsContact O-CB 3.3Å; V51-F55 WeakPolarHBondContact O-CB 3.42Å; V51-F55 PolarHBondContact O-N 3.04Å; F55-K57 PolarHBondContact O-N 3.45Å
56	G	87.7	Confident	80	Confident	73 Å²	73	68.9 Å²	68.9	75%	0.753	36%	0.358	S	S	*	.	S	Bend	trans	61.4	27.2	-177.9	0	0	0	0	0	112.7	V51 E52	V51-G56 PolarHBondContact O-N 3.43Å; E52-G56 VanDerWaalsContact O-CA 3.25Å; E52-G56 WeakPolarHBondContact O-CA 3.27Å; E52-G56 PolarHBondContact O-N 2.98Å
57	K	86.2	Confident	78.5	Confident	40 Å²	40	64 Å²	64	17%	0.174	34%	0.339	C	S	.	.			trans	-125.8	140	-176.2	-73.5	173.9	-178	173.8	0	109.5	F23 K25 L26 V51 E52 F55	F23-K57 WeakPolarHBondContact O-CE 3.33Å; K25-K57 PolarHBondContact O-NZ 3.14Å; L26-K57 HydrophobicContact CD2-CB 4.44Å; L26-K57 HydrophobicContact CD2-CD 3.87Å; V51-K57 CarbonylContact C-O 3.5Å; V51-K57 VanDerWaalsContact C-O 3.28Å; V51-K57 HydrophobicContact CG1-CB 4.2Å; V51-K57 WeakPolarHBondContact CG1-O 3.44Å; E52-K57 VanDerWaalsContact CA-O 3.27Å; E52-K57 WeakPolarHBondContact CA-O 3.44Å; E52-K57 VanDerWaalsContact CG-O 3.3Å; E52-K57 WeakPolarHBondContact CG-O 3.36Å; E52-K57 PolarHBondContact N-O 3.37Å; F55-K57 PolarHBondContact O-N 3.45Å
58	T	82.7	Confident	77.1	Confident	107 Å²	107	66.8 Å²	66.8	66%	0.656	35%	0.351	S	S	*	.			trans	-96.5	128.9	173.2	-59	0	0	0	0	109.7	E52	E52-T58 WeakPolarHBondContact OE1-CB 3.33Å; E52-T58 WeakPolarHBondContact OE1-CG2 3.44Å; E52-T58 PolarHBondContact OE1-OG1 2.83Å
59	I	79.5	Confident	75.5	Confident	21 Å²	21	68.9 Å²	68.9	11%	0.108	37%	0.365	C	S	.	.			trans	-112.2	162.6	168	58.1	167.4	0	0	0	109.6	L26 V34 I48 V51 Y63 V64	L26-I59 HydrophobicContact CD1-CG2 4.18Å; V34-I59 HydrophobicContact CG1-CD1 4.37Å; I48-I59 HydrophobicContact CB-CG1 4.46Å; I48-I59 HydrophobicContact CG1-CG1 3.99Å; V51-I59 HydrophobicContact CB-CD1 4.13Å; V51-I59 HydrophobicContact CB-CG1 4.11Å; V51-I59 HydrophobicContact CG1-CD1 4.37Å; V51-I59 HydrophobicContact CG1-CG1 4.13Å; V51-I59 HydrophobicContact CG1-CG2 3.9Å; V51-I59 HydrophobicContact CG2-CD1 3.81Å; V51-I59 HydrophobicContact CG2-CG1 4.35Å; I59-Y63 HydrophobicContact CB-CD1 4.42Å; I59-Y63 HydrophobicContact CD1-CD1 4.36Å; I59-V64 HydrophobicContact CD1-CG2 3.73Å; I59-V64 HydrophobicContact CG1-CG2 4.5Å
60	T	76.1	Confident	73.7	Confident	85 Å²	85	72.6 Å²	72.6	52%	0.521	38%	0.381	S	S	.	.			trans	-100.8	152.5	-179	62.5	0	0	0	0	111.8	H62 Y63 V64	T60-H62 PolarHBondContact O-N 2.87Å; T60-H62 VanDerWaalsContact O-N 3.17Å; T60-Y63 WeakPolarHBondContact O-CA 3.03Å; T60-Y63 WeakPolarHBondContact O-CB 3.35Å; T60-Y63 PolarHBondContact O-N 2.77Å; T60-Y63 PolarHBondContact OG1-N 2.95Å; T60-V64 PolarHBondContact O-N 2.8Å; T60-V64 VanDerWaalsContact O-N 3.12Å
61	V	68	Low	72.2	Confident	63 Å²	63	72.2 Å²	72.2	38%	0.382	38%	0.381	S	S	.	.	H	α-helix	trans	-53.6	-36.5	171.8	175.6	0	0	0	0	110.6	P44 I48 Y63 V64 N65	P44-V61 HydrophobicContact CB-CG1 3.96Å; P44-V61 HydrophobicContact CB-CG2 4.46Å; I48-V61 HydrophobicContact CD1-CB 4.29Å; I48-V61 HydrophobicContact CD1-CG2 3.38Å; V61-Y63 PolarHBondContact O-N 2.87Å; V61-V64 PolarHBondContact O-N 2.84Å; V61-N65 WeakPolarHBondContact CG1-ND2 3.25Å; V61-N65 WeakPolarHBondContact O-CB 3.46Å; V61-N65 PolarHBondContact O-N 2.8Å
62	H	61.8	Low	71.1	Confident	129 Å²	129	75.9 Å²	75.9	60%	0.597	41%	0.407	S	S	*	.	H	α-helix	trans	-60.8	-42	175.8	-175.1	-93.7	0	0	0	112.5	T60 N66	T60-H62 PolarHBondContact O-N 2.87Å; T60-H62 VanDerWaalsContact O-N 3.17Å; H62-N66 PolarHBondContact CE1-ND2 3.48Å; H62-N66 PolarHBondContact ND1-ND2 3.41Å; H62-N66 PolarHBondContact NE2-ND2 3.47Å; H62-N66 WeakPolarHBondContact O-CB 3.22Å; H62-N66 VanDerWaalsContact O-CG 3.29Å; H62-N66 PolarHBondContact O-N 3.38Å
63	Y	61.6	Low	70.4	Confident	85 Å²	85	73.1 Å²	73.1	33%	0.333	40%	0.395	S	S	.	.	H	α-helix	trans	-62.7	-42.9	173.6	-177.7	-95.3	0	0	0	111.5	L31 I59 T60 V61 N66 S67	L31-Y63 WeakPolarHBondContact CD2-OH 3.11Å; I59-Y63 HydrophobicContact CB-CD1 4.42Å; I59-Y63 HydrophobicContact CD1-CD1 4.36Å; T60-Y63 WeakPolarHBondContact O-CA 3.03Å; T60-Y63 WeakPolarHBondContact O-CB 3.35Å; T60-Y63 PolarHBondContact O-N 2.77Å; T60-Y63 PolarHBondContact OG1-N 2.95Å; V61-Y63 PolarHBondContact O-N 2.87Å; Y63-N66 PolarHBondContact O-N 2.9Å; Y63-S67 WeakPolarHBondContact O-CB 3.47Å; Y63-S67 PolarHBondContact O-N 2.82Å; Y63-S67 PolarHBondContact O-OG 2.91Å
64	V	57	Low	69.8	Low	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-64.1	-51.1	179.2	178.5	0	0	0	0	111.3	V38 P44 N47 I48 I59 T60 V61 N66 S67 K68	V38-V64 HydrophobicContact CB-CG1 4.44Å; V38-V64 HydrophobicContact CG1-CB 4.37Å; V38-V64 HydrophobicContact CG1-CG1 3.76Å; V38-V64 WeakPolarHBondContact CG1-O 3.44Å; V38-V64 HydrophobicContact CG2-CG1 4.05Å; V38-V64 HydrophobicContact CG2-CG2 4.37Å; P44-V64 HydrophobicContact CB-CB 4.19Å; P44-V64 HydrophobicContact CB-CG1 3.84Å; P44-V64 HydrophobicContact CG-CG1 4.26Å; N47-V64 HydrophobicContact CB-CG1 4.26Å; N47-V64 HydrophobicContact CB-CG2 4.17Å; N47-V64 WeakPolarHBondContact ND2-CG1 3.11Å; I48-V64 HydrophobicContact CG1-CG2 4.34Å; I59-V64 HydrophobicContact CD1-CG2 3.73Å; I59-V64 HydrophobicContact CG1-CG2 4.5Å; T60-V64 PolarHBondContact O-N 2.8Å; T60-V64 VanDerWaalsContact O-N 3.12Å; V61-V64 PolarHBondContact O-N 2.84Å; V64-N66 VanDerWaalsContact C-N 3.28Å; V64-N66 PolarHBondContact O-N 3.35Å; V64-S67 PolarHBondContact O-N 2.68Å; V64-S67 VanDerWaalsContact O-N 3.12Å; V64-K68 PolarHBondContact O-N 2.81Å
65	N	60	Low	69.4	Low	69 Å²	69	68.1 Å²	68.1	37%	0.369	37%	0.373	S	S	.	.	H	α-helix	trans	-62.9	-36.8	178.2	-71.7	-14.1	0	0	0	111.9	P44 V61 S67 K68 T69	P44-N65 WeakPolarHBondContact CG-OD1 3.41Å; V61-N65 WeakPolarHBondContact CG1-ND2 3.25Å; V61-N65 WeakPolarHBondContact O-CB 3.46Å; V61-N65 PolarHBondContact O-N 2.8Å; N65-S67 VanDerWaalsContact C-N 3.33Å; N65-S67 PolarHBondContact O-N 3.5Å; N65-K68 PolarHBondContact O-N 2.95Å; N65-T69 PolarHBondContact O-N 2.84Å; N65-T69 PolarHBondContact O-OG1 3.29Å
66	N	56.8	Low	69	Low	66 Å²	66	67.4 Å²	67.4	35%	0.353	38%	0.378	S	S	.	.	H	α-helix	trans	-70.1	-30.7	176.2	-80.4	-3.8	0	0	0	113.3	H62 Y63 V64 T69 F71	H62-N66 PolarHBondContact CE1-ND2 3.48Å; H62-N66 PolarHBondContact ND1-ND2 3.41Å; H62-N66 PolarHBondContact NE2-ND2 3.47Å; H62-N66 WeakPolarHBondContact O-CB 3.22Å; H62-N66 VanDerWaalsContact O-CG 3.29Å; H62-N66 PolarHBondContact O-N 3.38Å; Y63-N66 PolarHBondContact O-N 2.9Å; V64-N66 VanDerWaalsContact C-N 3.28Å; V64-N66 PolarHBondContact O-N 3.35Å; N66-T69 VanDerWaalsContact O-O 3.05Å; N66-F71 HydrophobicContact CB-CE2 3.83Å; N66-F71 WeakPolarHBondContact O-CD2 3.3Å; N66-F71 WeakPolarHBondContact O-CE2 3.39Å
67	S	55.7	Low	68.9	Low	31 Å²	31	66.9 Å²	66.9	22%	0.217	36%	0.361	C	S	.	.	H	α-helix	trans	-84.4	-22.2	179.2	-40.2	0	0	0	0	112.5	T39 Y63 V64 N65 T69	T39-S67 WeakPolarHBondContact CG2-O 3.19Å; Y63-S67 WeakPolarHBondContact O-CB 3.47Å; Y63-S67 PolarHBondContact O-N 2.82Å; Y63-S67 PolarHBondContact O-OG 2.91Å; V64-S67 PolarHBondContact O-N 2.68Å; V64-S67 VanDerWaalsContact O-N 3.12Å; N65-S67 VanDerWaalsContact C-N 3.33Å; N65-S67 PolarHBondContact O-N 3.5Å; S67-T69 VanDerWaalsContact C-N 3.26Å
68	K	55.1	Low	68.7	Low	60 Å²	60	67.4 Å²	67.4	26%	0.261	37%	0.369	S	S	.	.	H	α-helix	trans	-60.3	-39.5	168	-89.2	177.4	-173.3	-166.3	0	111.6	V38 G41 S42 V64 N65 K70	V38-K68 HydrophobicContact CG1-CG 3.92Å; V38-K68 WeakPolarHBondContact O-CG 3.2Å; G41-K68 PolarHBondContact O-NZ 3.09Å; S42-K68 WeakPolarHBondContact O-CE 3.38Å; S42-K68 PolarHBondContact O-NZ 3.4Å; V64-K68 PolarHBondContact O-N 2.81Å; N65-K68 PolarHBondContact O-N 2.95Å; K68-K70 PolarHBondContact O-N 3.02Å
69	T	52.5	Low	68.7	Low	71 Å²	71	66 Å²	66	44%	0.436	37%	0.368	S	S	.	.	S	Bend	trans	-89.7	110.9	-174.9	-29.5	0	0	0	0	108	N65 N66 S67 F71	N65-T69 PolarHBondContact O-N 2.84Å; N65-T69 PolarHBondContact O-OG1 3.29Å; N66-T69 VanDerWaalsContact O-O 3.05Å; S67-T69 VanDerWaalsContact C-N 3.26Å; T69-F71 VanDerWaalsContact CB-CZ 3.46Å; T69-F71 HydrophobicContact CG2-CD1 3.98Å; T69-F71 HydrophobicContact CG2-CE1 3.63Å; T69-F71 HydrophobicContact CG2-CZ 3.98Å; T69-F71 VanDerWaalsContact O-CD2 3.3Å; T69-F71 WeakPolarHBondContact O-CD2 3.47Å; T69-F71 PolarHBondContact O-N 3.17Å
70	K	53.8	Low	69	Low	197 Å²	197	71.3 Å²	71.3	86%	0.857	39%	0.394	S	S	*	.			trans	-65.5	82.3	165.4	-89	-177.3	178.5	170.8	0	107.9	K68 S72	K68-K70 PolarHBondContact O-N 3.02Å; K70-S72 PolarHBondContact O-N 3.46Å
71	F	59.6	Low	69.5	Low	69 Å²	69	68.3 Å²	68.3	30%	0.303	38%	0.377	S	S	.	.			trans	-66.4	117.5	175.5	-64.8	-68.3	0	0	0	108.4	N66 T69 N73 I74 Y105	N66-F71 HydrophobicContact CB-CE2 3.83Å; N66-F71 WeakPolarHBondContact O-CD2 3.3Å; N66-F71 WeakPolarHBondContact O-CE2 3.39Å; T69-F71 VanDerWaalsContact CB-CZ 3.46Å; T69-F71 HydrophobicContact CG2-CD1 3.98Å; T69-F71 HydrophobicContact CG2-CE1 3.63Å; T69-F71 HydrophobicContact CG2-CZ 3.98Å; T69-F71 VanDerWaalsContact O-CD2 3.3Å; T69-F71 WeakPolarHBondContact O-CD2 3.47Å; T69-F71 PolarHBondContact O-N 3.17Å; F71-N73 PolarHBondContact O-N 2.98Å; F71-I74 HydrophobicContact CB-CD1 4.23Å; F71-I74 HydrophobicContact CB-CG1 3.69Å; F71-I74 HydrophobicContact CD2-CD1 4.43Å; F71-I74 HydrophobicContact CD2-CG1 4.35Å; F71-I74 HydrophobicContact CG-CG1 4.22Å; F71-Y105 PolarHBondContact O-OH 3.18Å
72	S	67.4	Low	70.5	Confident	78 Å²	78	67.3 Å²	67.3	55%	0.545	37%	0.369	S	S	.	.	S	Bend	trans	-63.5	-35	169.1	45.2	0	0	0	0	110.7	K70 K128	K70-S72 PolarHBondContact O-N 3.46Å; S72-K128 PolarHBondContact O-N 2.94Å
73	N	76.1	Confident	71.8	Confident	23 Å²	23	65.6 Å²	65.6	12%	0.123	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	145	-179.2	-56.2	-49.5	0	0	0	111.4	F71 W126 T127 W137	F71-N73 PolarHBondContact O-N 2.98Å; N73-W126 CarbonylContact C-O 3.53Å; N73-W126 WeakPolarHBondContact CA-O 3.36Å; N73-T127 HydrophobicContact CB-CG2 4.5Å; N73-T127 VanDerWaalsContact OD1-CA 3.25Å; N73-T127 WeakPolarHBondContact OD1-CA 3.29Å; N73-T127 VanDerWaalsContact OD1-CB 3.22Å; N73-T127 WeakPolarHBondContact OD1-CB 3.19Å; N73-T127 WeakPolarHBondContact OD1-CG2 3.41Å; N73-W137 HydrophobicContact CB-CD2 4.1Å; N73-W137 HydrophobicContact CB-CE3 3.68Å; N73-W137 HydrophobicContact CB-CH2 3.52Å; N73-W137 HydrophobicContact CB-CZ2 3.92Å; N73-W137 HydrophobicContact CB-CZ3 3.4Å
74	I	81.8	Confident	73.1	Confident	73 Å²	73	62.9 Å²	62.9	37%	0.374	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.4	179.6	-56.5	171.2	0	0	0	108.6	F71 A125 W126	F71-I74 HydrophobicContact CB-CD1 4.23Å; F71-I74 HydrophobicContact CB-CG1 3.69Å; F71-I74 HydrophobicContact CD2-CD1 4.43Å; F71-I74 HydrophobicContact CD2-CG1 4.35Å; F71-I74 HydrophobicContact CG-CG1 4.22Å; I74-A125 CarbonylContact O-C 3.53Å; I74-A125 VanDerWaalsContact O-CA 3.27Å; I74-A125 WeakPolarHBondContact O-CA 3.3Å; I74-W126 HydrophobicContact CB-CB 4.28Å; I74-W126 HydrophobicContact CB-CE3 4.14Å; I74-W126 HydrophobicContact CG2-CE3 4.05Å; I74-W126 HydrophobicContact CG2-CZ3 4.5Å; I74-W126 PolarHBondContact N-O 2.63Å; I74-W126 PolarHBondContact O-N 3.03Å
75	V	85.1	Confident	74.7	Confident	45 Å²	45	62.9 Å²	62.9	27%	0.273	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.7	171.1	143.5	0	0	0	0	109.8	I123 S124 A125 W137 Q141	V75-I123 HydrophobicContact CG1-CD1 3.83Å; V75-I123 HydrophobicContact CG1-CG1 4.19Å; V75-I123 HydrophobicContact CG2-CD1 4.16Å; V75-I123 HydrophobicContact CG2-CG1 4.49Å; V75-S124 WeakPolarHBondContact CA-O 3.02Å; V75-A125 HydrophobicContact CG2-CB 3.78Å; V75-W137 HydrophobicContact CB-CH2 4.31Å; V75-W137 HydrophobicContact CG2-CH2 3.82Å; V75-W137 HydrophobicContact CG2-CZ3 3.93Å; V75-Q141 HydrophobicContact CG2-CB 3.9Å; V75-Q141 HydrophobicContact CG2-CG 4.14Å
76	G	84.9	Confident	76.1	Confident	30 Å²	30	65.6 Å²	65.6	31%	0.309	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.9	174.9	0	0	0	0	0	110.3	S124	G76-S124 PolarHBondContact N-O 2.94Å; G76-S124 PolarHBondContact O-N 3.44Å
77	V	86	Confident	77.6	Confident	63 Å²	63	66.9 Å²	66.9	38%	0.382	38%	0.377	S	S	.	.			trans	-147.1	146.4	178.2	64.6	0	0	0	0	109.1	C81 I82 T145 M146	V77-C81 HydrophobicContact CG2-CB 4.11Å; V77-I82 HydrophobicContact CG2-CD1 4.26Å; V77-I82 HydrophobicContact CG2-CG1 3.8Å; V77-T145 HydrophobicContact CB-CG2 4.07Å; V77-T145 HydrophobicContact CG1-CG2 3.72Å; V77-T145 HydrophobicContact CG2-CG2 3.83Å; V77-M146 HydrophobicContact CG2-CE 4.3Å
78	S	81.1	Confident	79.1	Confident	51 Å²	51	68.2 Å²	68.2	36%	0.357	38%	0.38	S	S	.	.			trans	-111.7	159.5	170.2	76.2	0	0	0	0	110.8	M80 C81 I82	S78-M80 PolarHBondContact O-N 3Å; S78-M80 PolarHBondContact OG-N 3.43Å; S78-C81 WeakPolarHBondContact O-CB 3.47Å; S78-C81 PolarHBondContact O-N 3.41Å; S78-C81 VanDerWaalsContact O-N 3.09Å; S78-C81 PolarHBondContact OG-N 2.99Å; S78-C81 VanDerWaalsContact OG-N 3.11Å; S78-C81 PolarHBondContact OG-SG 2.95Å; S78-I82 PolarHBondContact O-N 3.15Å
79	A	83	Confident	80.6	Confident	76 Å²	76	67.1 Å²	67.1	63%	0.628	38%	0.376	S	S	*	.	H	α-helix	trans	-57.9	-35.3	173.1	0	0	0	0	0	112.2	I82 N83	A79-I82 PolarHBondContact O-N 3.03Å; A79-N83 PolarHBondContact O-N 2.88Å; A79-N83 VanDerWaalsContact O-N 3.14Å
80	M	85.4	Confident	82.2	Confident	133 Å²	133	70 Å²	70	66%	0.655	39%	0.385	S	S	*	.	H	α-helix	trans	-61.8	-44.3	175	-169.2	-177.6	95.1	0	0	111.3	S78 I82 N83 V84	S78-M80 PolarHBondContact O-N 3Å; S78-M80 PolarHBondContact OG-N 3.43Å; M80-I82 VanDerWaalsContact C-N 3.3Å; M80-I82 PolarHBondContact O-N 3.42Å; M80-N83 PolarHBondContact O-N 3.17Å; M80-N83 VanDerWaalsContact O-N 3.14Å; M80-V84 WeakPolarHBondContact O-CG2 2.93Å; M80-V84 PolarHBondContact O-N 3.15Å
81	C	88	Confident	83.9	Confident	23 Å²	23	62.5 Å²	62.5	16%	0.155	36%	0.356	C	S	.	.	H	α-helix	trans	-60.4	-38.7	177.6	-69.7	0	0	0	0	112.6	V77 S78 N83 V84 Y85 P121 V122	V77-C81 HydrophobicContact CG2-CB 4.11Å; S78-C81 WeakPolarHBondContact O-CB 3.47Å; S78-C81 PolarHBondContact O-N 3.41Å; S78-C81 VanDerWaalsContact O-N 3.09Å; S78-C81 PolarHBondContact OG-N 2.99Å; S78-C81 VanDerWaalsContact OG-N 3.11Å; S78-C81 PolarHBondContact OG-SG 2.95Å; C81-N83 VanDerWaalsContact C-N 3.34Å; C81-V84 PolarHBondContact O-N 3.35Å; C81-Y85 PolarHBondContact O-N 3.16Å; C81-P121 PolarHBondContact SG-O 3.34Å; C81-V122 VanDerWaalsContact CB-O 3.25Å; C81-V122 WeakPolarHBondContact CB-O 3.18Å; C81-V122 WeakPolarHBondContact O-CG1 3.35Å
82	I	87.9	Confident	85.5	Confident	42 Å²	42	59.2 Å²	59.2	22%	0.215	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-41.9	175.7	-62.8	170.8	0	0	0	110.5	V77 S78 A79 M80 Y85 K86 T145 M146	V77-I82 HydrophobicContact CG2-CD1 4.26Å; V77-I82 HydrophobicContact CG2-CG1 3.8Å; S78-I82 PolarHBondContact O-N 3.15Å; A79-I82 PolarHBondContact O-N 3.03Å; M80-I82 VanDerWaalsContact C-N 3.3Å; M80-I82 PolarHBondContact O-N 3.42Å; I82-Y85 PolarHBondContact O-N 2.95Å; I82-K86 WeakPolarHBondContact O-CG 3.01Å; I82-K86 PolarHBondContact O-N 3.47Å; I82-K86 VanDerWaalsContact O-N 3.09Å; I82-T145 HydrophobicContact CD1-CG2 4.45Å; I82-M146 HydrophobicContact CG1-SD 4.3Å
83	N	89.7	Confident	86.6	Confident	93 Å²	93	57.2 Å²	57.2	50%	0.497	33%	0.327	S	S	.	.	H	α-helix	trans	-66.3	-39.4	177.4	-71	-18.2	0	0	0	112	A79 M80 C81 Y85 K86 C87	A79-N83 PolarHBondContact O-N 2.88Å; A79-N83 VanDerWaalsContact O-N 3.14Å; M80-N83 PolarHBondContact O-N 3.17Å; M80-N83 VanDerWaalsContact O-N 3.14Å; C81-N83 VanDerWaalsContact C-N 3.34Å; N83-Y85 VanDerWaalsContact C-N 3.34Å; N83-Y85 PolarHBondContact O-N 3.18Å; N83-K86 WeakPolarHBondContact O-CB 3.32Å; N83-K86 PolarHBondContact O-N 2.96Å; N83-C87 PolarHBondContact O-N 2.93Å; N83-C87 PolarHBondContact O-SG 2.99Å; N83-C87 VanDerWaalsContact O-SG 3.42Å
84	V	87.9	Confident	87.3	Confident	27 Å²	27	56.5 Å²	56.5	16%	0.164	32%	0.323	C	S	.	.	H	α-helix	trans	-59.1	-46.4	173.8	170.7	0	0	0	0	110.9	M80 C81 K86 C87 F88 A112 T120 V122	M80-V84 WeakPolarHBondContact O-CG2 2.93Å; M80-V84 PolarHBondContact O-N 3.15Å; C81-V84 PolarHBondContact O-N 3.35Å; V84-K86 VanDerWaalsContact C-N 3.29Å; V84-K86 PolarHBondContact O-N 2.75Å; V84-C87 PolarHBondContact O-N 2.9Å; V84-C87 VanDerWaalsContact O-N 3.11Å; V84-F88 HydrophobicContact CG1-CD2 4.24Å; V84-F88 WeakPolarHBondContact O-CD2 3.46Å; V84-F88 PolarHBondContact O-N 3.37Å; V84-A112 HydrophobicContact CG1-CB 4.4Å; V84-T120 HydrophobicContact CG1-CG2 3.81Å; V84-T120 HydrophobicContact CG2-CG2 4.29Å; V84-V122 HydrophobicContact CB-CG1 4.21Å; V84-V122 HydrophobicContact CG1-CG1 3.88Å
85	Y	90.4	Very high	87.4	Confident	1 Å²	1	55.6 Å²	55.6	0%	0.004	32%	0.319	C	S	.	.	H	α-helix	trans	-56.1	-45.5	175.4	171.4	-108	0	0	0	111.6	C81 I82 N83 C87 F88 L89 I92 F142 M146 T149 T152	C81-Y85 PolarHBondContact O-N 3.16Å; I82-Y85 PolarHBondContact O-N 2.95Å; N83-Y85 VanDerWaalsContact C-N 3.34Å; N83-Y85 PolarHBondContact O-N 3.18Å; Y85-C87 PolarHBondContact O-N 3.49Å; Y85-F88 CarbonylContact O-C 3.58Å; Y85-F88 PolarHBondContact O-N 2.88Å; Y85-L89 HydrophobicContact CD1-CD2 3.61Å; Y85-L89 HydrophobicContact CD2-CD2 4.25Å; Y85-L89 HydrophobicContact CE1-CD2 3.19Å; Y85-L89 HydrophobicContact CE2-CD2 3.89Å; Y85-L89 HydrophobicContact CG-CD2 4.13Å; Y85-L89 VanDerWaalsContact O-CD2 3.23Å; Y85-L89 WeakPolarHBondContact O-CD2 3.42Å; Y85-L89 WeakPolarHBondContact O-CG 3.44Å; Y85-L89 PolarHBondContact O-N 2.74Å; Y85-I92 HydrophobicContact CD2-CD1 3.83Å; Y85-I92 HydrophobicContact CE2-CD1 3.86Å; Y85-I92 HydrophobicContact CE2-CG1 4.33Å; Y85-F142 HydrophobicContact CD2-CE2 4.29Å; Y85-F142 AromaticContact CD2-CZ 3.98Å; Y85-F142 HydrophobicContact CD2-CZ 3.98Å; Y85-F142 HydrophobicContact CE2-CE1 4.45Å; Y85-F142 HydrophobicContact CE2-CE2 4.33Å; Y85-F142 AromaticContact CE2-CZ 3.58Å; Y85-F142 HydrophobicContact CE2-CZ 3.58Å; Y85-M146 HydrophobicContact CD1-CB 3.63Å; Y85-M146 HydrophobicContact CD1-CG 3.76Å; Y85-M146 HydrophobicContact CD1-SD 3.67Å; Y85-M146 HydrophobicContact CE1-CB 3.51Å; Y85-M146 HydrophobicContact CE1-CG 4.02Å; Y85-M146 HydrophobicContact CG-CB 4.38Å; Y85-M146 HydrophobicContact CG-CG 4.02Å; Y85-M146 HydrophobicContact CG-SD 3.7Å; Y85-T149 HydrophobicContact CE1-CG2 4.22Å; Y85-T149 VanDerWaalsContact OH-CA 3.28Å; Y85-T149 WeakPolarHBondContact OH-CA 3.44Å; Y85-T149 VanDerWaalsContact OH-CB 3.32Å; Y85-T149 WeakPolarHBondContact OH-CB 3.35Å; Y85-T149 WeakPolarHBondContact OH-CG2 3.33Å; Y85-T152 PolarHBondContact OH-OG1 3.47Å
86	K	89.9	Confident	87.1	Confident	125 Å²	125	54.2 Å²	54.2	54%	0.543	31%	0.311	S	S	.	.	H	α-helix	trans	-59.8	-27	178.9	-71.9	176.3	179.9	177	0	114.1	I82 N83 V84	I82-K86 WeakPolarHBondContact O-CG 3.01Å; I82-K86 PolarHBondContact O-N 3.47Å; I82-K86 VanDerWaalsContact O-N 3.09Å; N83-K86 WeakPolarHBondContact O-CB 3.32Å; N83-K86 PolarHBondContact O-N 2.96Å; V84-K86 VanDerWaalsContact C-N 3.29Å; V84-K86 PolarHBondContact O-N 2.75Å
87	C	88.6	Confident	86.6	Confident	93 Å²	93	55.7 Å²	55.7	63%	0.628	31%	0.311	S	S	*	.	H	α-helix	trans	-81.1	-26.4	174.9	-63.8	0	0	0	0	113.1	N83 V84 Y85	N83-C87 PolarHBondContact O-N 2.93Å; N83-C87 PolarHBondContact O-SG 2.99Å; N83-C87 VanDerWaalsContact O-SG 3.42Å; V84-C87 PolarHBondContact O-N 2.9Å; V84-C87 VanDerWaalsContact O-N 3.11Å; Y85-C87 PolarHBondContact O-N 3.49Å
88	F	87.2	Confident	85.7	Confident	60 Å²	60	57.3 Å²	57.3	26%	0.263	32%	0.315	S	S	.	.	S	Bend	trans	-135.1	64.5	-171.1	-55.8	-68.4	0	0	0	110.6	V84 Y85 A112 E114	V84-F88 HydrophobicContact CG1-CD2 4.24Å; V84-F88 WeakPolarHBondContact O-CD2 3.46Å; V84-F88 PolarHBondContact O-N 3.37Å; Y85-F88 CarbonylContact O-C 3.58Å; Y85-F88 PolarHBondContact O-N 2.88Å; F88-A112 HydrophobicContact CB-CB 4.11Å; F88-E114 HydrophobicContact CD1-CB 3.86Å; F88-E114 HydrophobicContact CD2-CB 4.16Å; F88-E114 HydrophobicContact CE1-CB 3.61Å; F88-E114 HydrophobicContact CE2-CB 3.92Å; F88-E114 HydrophobicContact CG-CB 4.12Å; F88-E114 HydrophobicContact CZ-CB 3.64Å
89	L	86.4	Confident	84.7	Confident	37 Å²	37	59.7 Å²	59.7	19%	0.194	32%	0.323	C	S	.	.			trans	-77.3	-23.9	-168	-68.4	166.9	0	0	0	114.2	Y85 N151 T152	Y85-L89 HydrophobicContact CD1-CD2 3.61Å; Y85-L89 HydrophobicContact CD2-CD2 4.25Å; Y85-L89 HydrophobicContact CE1-CD2 3.19Å; Y85-L89 HydrophobicContact CE2-CD2 3.89Å; Y85-L89 HydrophobicContact CG-CD2 4.13Å; Y85-L89 VanDerWaalsContact O-CD2 3.23Å; Y85-L89 WeakPolarHBondContact O-CD2 3.42Å; Y85-L89 WeakPolarHBondContact O-CG 3.44Å; Y85-L89 PolarHBondContact O-N 2.74Å; L89-N151 HydrophobicContact CB-CB 3.85Å; L89-N151 HydrophobicContact CD1-CB 4.04Å; L89-T152 WeakPolarHBondContact O-CA 3.3Å; L89-T152 WeakPolarHBondContact O-CB 3.3Å; L89-T152 PolarHBondContact O-N 3.25Å; L89-T152 PolarHBondContact O-OG1 3.36Å
90	E	86.5	Confident	83.6	Confident	131 Å²	131	61.9 Å²	61.9	61%	0.612	32%	0.324	S	S	*	.	S	Bend	trans	-79.1	-40.5	-159.7	-64	-178.5	-179	0	0	114	N151 K153 M154	E90-N151 WeakPolarHBondContact CA-O 3.32Å; E90-K153 PolarHBondContact O-N 3.22Å; E90-M154 PolarHBondContact O-N 2.98Å
91	V	89	Confident	82.9	Confident	40 Å²	40	57.9 Å²	57.9	24%	0.242	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	118	-170.2	-174.9	0	0	0	0	110.2	A113 M154 V156	V91-A113 HydrophobicContact CB-CB 4.14Å; V91-A113 HydrophobicContact CG1-CB 4.07Å; V91-A113 PolarHBondContact O-N 3.48Å; V91-A113 VanDerWaalsContact O-N 3.16Å; V91-M154 WeakPolarHBondContact CA-O 3.32Å; V91-M154 HydrophobicContact CG2-CB 4.26Å; V91-V156 HydrophobicContact CG1-CG2 3.84Å
92	I	92.7	Very high	81.9	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.5	177.5	-60.5	-61.2	0	0	0	110.2	Y85 I94 A112 F142 T152 M154 F155 V156	Y85-I92 HydrophobicContact CD2-CD1 3.83Å; Y85-I92 HydrophobicContact CE2-CD1 3.86Å; Y85-I92 HydrophobicContact CE2-CG1 4.33Å; I92-I94 HydrophobicContact CG2-CG1 4.24Å; I92-A112 HydrophobicContact CD1-CB 4.16Å; I92-F142 HydrophobicContact CD1-CE2 4.46Å; I92-F142 HydrophobicContact CD1-CZ 4.05Å; I92-F142 HydrophobicContact CG1-CZ 3.92Å; I92-F142 HydrophobicContact CG2-CZ 4.5Å; I92-T152 HydrophobicContact CB-CG2 4.37Å; I92-T152 HydrophobicContact CG1-CG2 3.73Å; I92-M154 PolarHBondContact N-O 3.42Å; I92-F155 HydrophobicContact CB-CD1 3.93Å; I92-F155 HydrophobicContact CB-CE1 3.87Å; I92-F155 HydrophobicContact CG1-CE1 4.49Å; I92-F155 HydrophobicContact CG2-CD1 4.05Å; I92-F155 HydrophobicContact CG2-CE1 3.9Å; I92-F155 CarbonylContact O-C 3.54Å; I92-F155 VanDerWaalsContact O-CA 3.27Å; I92-F155 WeakPolarHBondContact O-CA 3.39Å; I92-V156 PolarHBondContact O-N 3.1Å
93	C	91.3	Very high	80.9	Confident	36 Å²	36	64.2 Å²	64.2	24%	0.243	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.3	170.6	-64	0	0	0	0	109.4	S110 I111 V156	C93-S110 CarbonylContact O-C 3.57Å; C93-S110 WeakPolarHBondContact O-CA 3.38Å; C93-I111 HydrophobicContact CB-CB 4.08Å; C93-I111 PolarHBondContact N-O 3.29Å; C93-I111 PolarHBondContact O-N 3.43Å; C93-V156 CarbonylContact C-O 3.49Å; C93-V156 VanDerWaalsContact CA-O 3.26Å; C93-V156 WeakPolarHBondContact CA-O 3.44Å; C93-V156 HydrophobicContact CB-CB 4.39Å
94	I	90.5	Very high	80.1	Confident	8 Å²	8	65 Å²	65	4%	0.041	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.2	172.3	-57.3	-178.9	0	0	0	108	I92 H109 I139 F155 V156 V163 V167	I92-I94 HydrophobicContact CG2-CG1 4.24Å; I94-H109 WeakPolarHBondContact CA-O 3.45Å; I94-I139 HydrophobicContact CD1-CD1 3.37Å; I94-F155 HydrophobicContact CD1-CD1 3.76Å; I94-F155 HydrophobicContact CD1-CE1 4.1Å; I94-F155 HydrophobicContact CG1-CD1 4.17Å; I94-V156 PolarHBondContact N-O 3.28Å; I94-V163 HydrophobicContact CB-CG1 4.41Å; I94-V163 HydrophobicContact CD1-CG1 4.14Å; I94-V163 HydrophobicContact CG2-CG1 3.97Å; I94-V167 HydrophobicContact CD1-CG2 3.97Å
95	N	84.5	Confident	79.7	Confident	54 Å²	54	65.9 Å²	65.9	29%	0.289	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.7	176.4	-167.6	28.9	0	0	0	110.7	F108 H109 I111 H182	N95-F108 WeakPolarHBondContact O-CA 3.36Å; N95-H109 PolarHBondContact N-O 2.9Å; N95-H109 PolarHBondContact O-N 3.14Å; N95-I111 HydrophobicContact CB-CD1 4.36Å; N95-H182 PolarHBondContact OD1-CE1 2.9Å
96	S	79	Confident	79.5	Confident	16 Å²	16	68.4 Å²	68.4	11%	0.112	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.4	178	72.7	0	0	0	0	111.6	H98 L107	S96-H98 PolarHBondContact OG-CE1 3.15Å; S96-H98 PolarHBondContact OG-NE2 3.3Å; S96-L107 CarbonylContact C-O 3.55Å; S96-L107 VanDerWaalsContact CA-O 3.32Å; S96-L107 WeakPolarHBondContact CA-O 3.49Å
97	I	73.1	Confident	79.3	Confident	60 Å²	60	63.9 Å²	63.9	31%	0.308	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	113.7	177	-61.7	177.7	0	0	0	106.3	N100 L107	I97-N100 HydrophobicContact CG2-CB 4.08Å; I97-N100 WeakPolarHBondContact CG2-ND2 3.47Å; I97-N100 VanDerWaalsContact CG2-OD1 3.23Å; I97-N100 WeakPolarHBondContact CG2-OD1 3.19Å; I97-L107 HydrophobicContact CB-CB 4.27Å; I97-L107 HydrophobicContact CD1-CD2 4.43Å; I97-L107 PolarHBondContact N-O 2.94Å; I97-L107 PolarHBondContact O-N 2.93Å
98	H	67.4	Low	79.3	Confident	98 Å²	98	59.8 Å²	59.8	45%	0.454	30%	0.304	S	S	.	.			trans	-98.9	127	-168.3	-62.1	-42.2	0	0	0	113.3	S96 N100	S96-H98 PolarHBondContact OG-CE1 3.15Å; S96-H98 PolarHBondContact OG-NE2 3.3Å; H98-N100 PolarHBondContact O-N 3.4Å; H98-N100 PolarHBondContact O-OD1 2.92Å
99	N	61.1	Low	79.5	Confident	100 Å²	100	59 Å²	59	54%	0.535	30%	0.3	S	S	.	.	S	Bend	trans	66	29.5	166.7	-52.1	-19.4	0	0	0	115.1
100	N	60.3	Low	79.9	Confident	122 Å²	122	57.3 Å²	57.3	65%	0.652	29%	0.292	S	S	*	.			trans	-90.6	2.5	-176.5	-60	43.6	0	0	0	114	I97 H98	I97-N100 HydrophobicContact CG2-CB 4.08Å; I97-N100 WeakPolarHBondContact CG2-ND2 3.47Å; I97-N100 VanDerWaalsContact CG2-OD1 3.23Å; I97-N100 WeakPolarHBondContact CG2-OD1 3.19Å; H98-N100 PolarHBondContact O-N 3.4Å; H98-N100 PolarHBondContact O-OD1 2.92Å
101	N	69.1	Low	80	Confident	50 Å²	50	52.7 Å²	52.7	27%	0.267	27%	0.271	S	S	.	.	S	Bend	trans	-127.1	156.9	-177.9	62.7	71.2	0	0	0	111.8	G103 N104 Y105	N101-G103 PolarHBondContact O-N 3.31Å; N101-G103 WeakPolarHBondContact OD1-CA 3.43Å; N101-G103 PolarHBondContact OD1-N 2.98Å; N101-G103 VanDerWaalsContact OD1-N 3.08Å; N101-N104 PolarHBondContact O-N 2.86Å; N101-N104 PolarHBondContact OD1-N 2.75Å; N101-N104 VanDerWaalsContact OD1-N 3.12Å; N101-Y105 WeakPolarHBondContact ND2-CB 2.95Å; N101-Y105 PolarHBondContact ND2-O 3.12Å; N101-Y105 PolarHBondContact OD1-N 2.81Å
102	R	66.9	Low	80.1	Confident	163 Å²	163	50.8 Å²	50.8	62%	0.615	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.1	-179.6	-68.2	-177.3	178.5	173.6	-7	114.3	D28	D28-R102 IonicContact OD1-CZ 3Å; D28-R102 IonicContact OD1-NH1 2.62Å; D28-R102 PolarHBondContact OD1-NH1 3.26Å; D28-R102 IonicContact OD1-NH2 2.69Å; D28-R102 PolarHBondContact OD1-NH2 3.32Å; D28-R102 IonicContact OD2-CZ 3.41Å; D28-R102 IonicContact OD2-NH1 3.73Å; D28-R102 IonicContact OD2-NH2 2.87Å; D28-R102 PolarHBondContact OD2-NH2 2.97Å
103	G	68.2	Low	79.7	Confident	35 Å²	35	52.2 Å²	52.2	36%	0.361	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	1.3	177.8	0	0	0	0	0	114.3	N101 Y105	N101-G103 PolarHBondContact O-N 3.31Å; N101-G103 WeakPolarHBondContact OD1-CA 3.43Å; N101-G103 PolarHBondContact OD1-N 2.98Å; N101-G103 VanDerWaalsContact OD1-N 3.08Å; G103-Y105 WeakPolarHBondContact O-CD2 3.06Å; G103-Y105 PolarHBondContact O-N 2.66Å
104	N	72.8	Confident	79	Confident	110 Å²	110	52.9 Å²	52.9	59%	0.588	27%	0.271	S	S	*	.			trans	54.5	28	-172.3	-67.3	-35.1	0	0	0	113.7	N101	N101-N104 PolarHBondContact O-N 2.86Å; N101-N104 PolarHBondContact OD1-N 2.75Å; N101-N104 VanDerWaalsContact OD1-N 3.12Å
105	Y	80	Confident	78.3	Confident	45 Å²	45	60 Å²	60	18%	0.176	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-75	145.9	171.8	-68.5	-95.3	0	0	0	110.2	F71 N101 G103 W126 T127 K128	F71-Y105 PolarHBondContact O-OH 3.18Å; N101-Y105 WeakPolarHBondContact ND2-CB 2.95Å; N101-Y105 PolarHBondContact ND2-O 3.12Å; N101-Y105 PolarHBondContact OD1-N 2.81Å; G103-Y105 WeakPolarHBondContact O-CD2 3.06Å; G103-Y105 PolarHBondContact O-N 2.66Å; Y105-W126 HydrophobicContact CD1-CB 4.23Å; Y105-W126 HydrophobicContact CG-CB 4.38Å; Y105-T127 CarbonylContact C-O 3.52Å; Y105-T127 WeakPolarHBondContact CA-O 3.31Å; Y105-K128 HydrophobicContact CD1-CB 4.21Å; Y105-K128 HydrophobicContact CE1-CB 4Å; Y105-K128 HydrophobicContact CE1-CG 4.32Å
106	K	84.4	Confident	77.8	Confident	53 Å²	53	62.3 Å²	62.3	23%	0.23	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.2	166.8	-64.7	175.1	-178.7	177	0	108.3	F108 W126 T127 E129	K106-F108 HydrophobicContact CB-CD2 4.37Å; K106-F108 HydrophobicContact CB-CE2 3.57Å; K106-F108 HydrophobicContact CB-CZ 4.21Å; K106-W126 WeakPolarHBondContact O-CA 3.5Å; K106-T127 PolarHBondContact N-O 2.68Å; K106-T127 PolarHBondContact O-N 2.73Å; K106-E129 PolarHBondContact NZ-O 2.8Å
107	L	86.4	Confident	77.3	Confident	30 Å²	30	65.1 Å²	65.1	16%	0.157	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.4	176.8	172.7	55.7	0	0	0	109.2	S96 I97 H109 A125 W126	S96-L107 CarbonylContact C-O 3.55Å; S96-L107 VanDerWaalsContact CA-O 3.32Å; S96-L107 WeakPolarHBondContact CA-O 3.49Å; I97-L107 HydrophobicContact CB-CB 4.27Å; I97-L107 HydrophobicContact CD1-CD2 4.43Å; I97-L107 PolarHBondContact N-O 2.94Å; I97-L107 PolarHBondContact O-N 2.93Å; L107-H109 VanDerWaalsContact CD1-CD2 3.47Å; L107-H109 WeakPolarHBondContact CD1-CD2 3.14Å; L107-H109 WeakPolarHBondContact CD1-NE2 3.48Å; L107-H109 WeakPolarHBondContact CD2-NE2 3.25Å; L107-A125 CarbonylContact C-O 3.56Å; L107-A125 WeakPolarHBondContact CA-O 3.29Å; L107-W126 HydrophobicContact CD1-CD2 3.95Å; L107-W126 VanDerWaalsContact CD1-CE2 3.46Å; L107-W126 HydrophobicContact CD1-CG 4.27Å; L107-W126 HydrophobicContact CD1-CH2 4.41Å; L107-W126 HydrophobicContact CD1-CZ2 3.73Å
108	F	89.4	Confident	77.5	Confident	8 Å²	8	68.4 Å²	68.4	4%	0.035	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.5	176.3	-68.9	-91.7	0	0	0	108.7	N95 K106 S124 A125 T127 M135 V163	N95-F108 WeakPolarHBondContact O-CA 3.36Å; K106-F108 HydrophobicContact CB-CD2 4.37Å; K106-F108 HydrophobicContact CB-CE2 3.57Å; K106-F108 HydrophobicContact CB-CZ 4.21Å; F108-S124 CarbonylContact O-C 3.59Å; F108-S124 WeakPolarHBondContact O-CA 3.5Å; F108-A125 HydrophobicContact CB-CB 4.49Å; F108-A125 PolarHBondContact N-O 3.1Å; F108-A125 PolarHBondContact O-N 2.92Å; F108-T127 HydrophobicContact CD2-CG2 4.42Å; F108-T127 VanDerWaalsContact CE2-OG1 3.29Å; F108-T127 WeakPolarHBondContact CE2-OG1 3.36Å; F108-M135 HydrophobicContact CD1-CE 4.18Å; F108-M135 HydrophobicContact CD1-SD 3.8Å; F108-M135 HydrophobicContact CD2-CE 3.75Å; F108-M135 HydrophobicContact CD2-SD 4.44Å; F108-M135 HydrophobicContact CE1-CE 3.77Å; F108-M135 HydrophobicContact CE1-SD 3.39Å; F108-M135 WeakPolarHBondContact CE1-SD 3.29Å; F108-M135 HydrophobicContact CE2-CE 3.3Å; F108-M135 HydrophobicContact CE2-SD 4.11Å; F108-M135 HydrophobicContact CG-CE 4.18Å; F108-M135 HydrophobicContact CG-SD 4.3Å; F108-M135 HydrophobicContact CZ-CE 3.31Å; F108-M135 HydrophobicContact CZ-SD 3.57Å; F108-M135 VanDerWaalsContact CZ-SD 3.57Å; F108-V163 HydrophobicContact CE1-CG2 4.33Å
109	H	91.2	Very high	78.2	Confident	42 Å²	42	65.8 Å²	65.8	19%	0.194	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.4	172.6	-74.3	-165.1	0	0	0	108.6	I94 N95 L107 I111 I123 S124	I94-H109 WeakPolarHBondContact CA-O 3.45Å; N95-H109 PolarHBondContact N-O 2.9Å; N95-H109 PolarHBondContact O-N 3.14Å; L107-H109 VanDerWaalsContact CD1-CD2 3.47Å; L107-H109 WeakPolarHBondContact CD1-CD2 3.14Å; L107-H109 WeakPolarHBondContact CD1-NE2 3.48Å; L107-H109 WeakPolarHBondContact CD2-NE2 3.25Å; H109-I111 HydrophobicContact CB-CD1 4.3Å; H109-I111 HydrophobicContact CB-CG1 4.04Å; H109-I123 WeakPolarHBondContact CA-O 3.42Å; H109-S124 PolarHBondContact CD2-OG 3.45Å; H109-S124 PolarHBondContact NE2-OG 2.71Å
110	S	93.2	Very high	79.5	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.021	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.5	157.7	-45.4	0	0	0	0	107.6	C93 V122 I123	C93-S110 CarbonylContact O-C 3.57Å; C93-S110 WeakPolarHBondContact O-CA 3.38Å; S110-V122 WeakPolarHBondContact O-CG2 2.95Å; S110-V122 PolarHBondContact O-N 3.41Å; S110-I123 PolarHBondContact N-O 3.02Å; S110-I123 PolarHBondContact O-N 2.9Å; S110-I123 WeakPolarHBondContact OG-CG2 3.15Å
111	I	90.6	Very high	80.9	Confident	33 Å²	33	60 Å²	60	17%	0.169	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.1	-170.5	-61.5	167.6	0	0	0	106.6	C93 N95 H109 G119 T120 P121	C93-I111 HydrophobicContact CB-CB 4.08Å; C93-I111 PolarHBondContact N-O 3.29Å; C93-I111 PolarHBondContact O-N 3.43Å; N95-I111 HydrophobicContact CB-CD1 4.36Å; H109-I111 HydrophobicContact CB-CD1 4.3Å; H109-I111 HydrophobicContact CB-CG1 4.04Å; I111-G119 VanDerWaalsContact CG2-CA 3.41Å; I111-T120 CarbonylContact C-O 3.53Å; I111-T120 WeakPolarHBondContact CA-O 3.4Å; I111-P121 HydrophobicContact CG1-CG 4.48Å
112	A	89.9	Confident	82	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	127.1	171.9	0	0	0	0	0	108.9	V84 F88 I92 G119 T120 V122	V84-A112 HydrophobicContact CG1-CB 4.4Å; F88-A112 HydrophobicContact CB-CB 4.11Å; I92-A112 HydrophobicContact CD1-CB 4.16Å; A112-G119 WeakPolarHBondContact O-CA 3.36Å; A112-T120 PolarHBondContact N-O 3.34Å; A112-T120 PolarHBondContact O-N 3.05Å; A112-V122 HydrophobicContact CB-CG1 3.62Å
113	A	83.5	Confident	83.3	Confident	30 Å²	30	50 Å²	50	25%	0.248	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.6	177.2	0	0	0	0	0	109.5	V91	V91-A113 HydrophobicContact CB-CB 4.14Å; V91-A113 HydrophobicContact CG1-CB 4.07Å; V91-A113 PolarHBondContact O-N 3.48Å; V91-A113 VanDerWaalsContact O-N 3.16Å
114	E	77.7	Confident	84.4	Confident	51 Å²	51	49.4 Å²	49.4	24%	0.238	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-93.3	158.3	175.6	44.5	173.8	137.6	0	0	110.9	F88 C116 G117 H118	F88-E114 HydrophobicContact CD1-CB 3.86Å; F88-E114 HydrophobicContact CD2-CB 4.16Å; F88-E114 HydrophobicContact CE1-CB 3.61Å; F88-E114 HydrophobicContact CE2-CB 3.92Å; F88-E114 HydrophobicContact CG-CB 4.12Å; F88-E114 HydrophobicContact CZ-CB 3.64Å; E114-C116 PolarHBondContact O-N 3.12Å; E114-G117 PolarHBondContact O-N 2.93Å; E114-H118 VanDerWaalsContact CD-CB 3.46Å; E114-H118 VanDerWaalsContact CG-C 3.45Å; E114-H118 HydrophobicContact CG-CB 3.72Å; E114-H118 WeakPolarHBondContact CG-O 2.8Å; E114-H118 PolarHBondContact N-O 3.25Å; E114-H118 WeakPolarHBondContact OE1-CB 3.37Å
115	N	75.1	Confident	85.2	Confident	158 Å²	158	44.2 Å²	44.2	85%	0.845	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.2	-172.6	-64.8	-10.6	0	0	0	113.7	G117	N115-G117 PolarHBondContact O-N 2.95Å
116	C	74	Confident	85.7	Confident	102 Å²	102	45.7 Å²	45.7	69%	0.689	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	1.9	176.2	-60.7	0	0	0	0	113.3	E114 H118	E114-C116 PolarHBondContact O-N 3.12Å; C116-H118 VanDerWaalsContact C-N 3.25Å; C116-H118 PolarHBondContact O-N 3.12Å
117	G	69.5	Low	85.7	Confident	75 Å²	75	43.1 Å²	43.1	77%	0.773	26%	0.262	S	S	*	.	S	Bend	trans	81.1	1.1	-178.4	0	0	0	0	0	114.4	E114 N115	E114-G117 PolarHBondContact O-N 2.93Å; N115-G117 PolarHBondContact O-N 2.95Å
118	H	75.9	Confident	85.2	Confident	128 Å²	128	47.4 Å²	47.4	59%	0.593	28%	0.28	S	S	*	.			trans	-81.4	164.1	169.8	-64.6	115.1	0	0	0	110.5	E114 C116	E114-H118 VanDerWaalsContact CD-CB 3.46Å; E114-H118 VanDerWaalsContact CG-C 3.45Å; E114-H118 HydrophobicContact CG-CB 3.72Å; E114-H118 WeakPolarHBondContact CG-O 2.8Å; E114-H118 PolarHBondContact N-O 3.25Å; E114-H118 WeakPolarHBondContact OE1-CB 3.37Å; C116-H118 VanDerWaalsContact C-N 3.25Å; C116-H118 PolarHBondContact O-N 3.12Å
119	G	84	Confident	84.6	Confident	43 Å²	43	52 Å²	52	44%	0.443	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	129	178.2	0	0	0	0	0	110	I111 A112	I111-G119 VanDerWaalsContact CG2-CA 3.41Å; A112-G119 WeakPolarHBondContact O-CA 3.36Å
120	T	87.6	Confident	83.8	Confident	44 Å²	44	50.5 Å²	50.5	27%	0.27	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.2	176.9	-65.6	0	0	0	0	110.6	V84 I111 A112 V122	V84-T120 HydrophobicContact CG1-CG2 3.81Å; V84-T120 HydrophobicContact CG2-CG2 4.29Å; I111-T120 CarbonylContact C-O 3.53Å; I111-T120 WeakPolarHBondContact CA-O 3.4Å; A112-T120 PolarHBondContact N-O 3.34Å; A112-T120 PolarHBondContact O-N 3.05Å; T120-V122 PolarHBondContact O-N 3.47Å
121	P	90.6	Very high	83.3	Confident	56 Å²	56	56.2 Å²	56.2	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	125	173.2	-22.5	33.1	0	0	0	111.4	C81 I111	C81-P121 PolarHBondContact SG-O 3.34Å; I111-P121 HydrophobicContact CG1-CG 4.48Å
122	V	91.6	Very high	83	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-23.3	179.2	-65.4	0	0	0	0	112.8	C81 V84 S110 A112 T120 F142 M146	C81-V122 VanDerWaalsContact CB-O 3.25Å; C81-V122 WeakPolarHBondContact CB-O 3.18Å; C81-V122 WeakPolarHBondContact O-CG1 3.35Å; V84-V122 HydrophobicContact CB-CG1 4.21Å; V84-V122 HydrophobicContact CG1-CG1 3.88Å; S110-V122 WeakPolarHBondContact O-CG2 2.95Å; S110-V122 PolarHBondContact O-N 3.41Å; A112-V122 HydrophobicContact CB-CG1 3.62Å; T120-V122 PolarHBondContact O-N 3.47Å; V122-F142 HydrophobicContact CG2-CE2 4.04Å; V122-M146 HydrophobicContact CB-CE 3.92Å; V122-M146 HydrophobicContact CG2-CE 4.12Å; V122-M146 VanDerWaalsContact O-CE 3.24Å; V122-M146 WeakPolarHBondContact O-CE 3.43Å
123	I	92.8	Very high	82.9	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.026	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	141	170	-171.1	167.5	0	0	0	109.3	V75 H109 S110 F142 T145 M146	V75-I123 HydrophobicContact CG1-CD1 3.83Å; V75-I123 HydrophobicContact CG1-CG1 4.19Å; V75-I123 HydrophobicContact CG2-CD1 4.16Å; V75-I123 HydrophobicContact CG2-CG1 4.49Å; H109-I123 WeakPolarHBondContact CA-O 3.42Å; S110-I123 PolarHBondContact N-O 3.02Å; S110-I123 PolarHBondContact O-N 2.9Å; S110-I123 WeakPolarHBondContact OG-CG2 3.15Å; I123-F142 HydrophobicContact CG2-CB 4.43Å; I123-F142 HydrophobicContact CG2-CD2 3.66Å; I123-F142 HydrophobicContact CG2-CE2 4.48Å; I123-T145 HydrophobicContact CD1-CG2 4.49Å; I123-M146 HydrophobicContact CB-CE 4.15Å
124	S	92.4	Very high	83.1	Confident	21 Å²	21	62.3 Å²	62.3	15%	0.147	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.4	171.2	-64.4	0	0	0	0	108.7	V75 G76 F108 H109 W126	V75-S124 WeakPolarHBondContact CA-O 3.02Å; G76-S124 PolarHBondContact N-O 2.94Å; G76-S124 PolarHBondContact O-N 3.44Å; F108-S124 CarbonylContact O-C 3.59Å; F108-S124 WeakPolarHBondContact O-CA 3.5Å; H109-S124 PolarHBondContact CD2-OG 3.45Å; H109-S124 PolarHBondContact NE2-OG 2.71Å; S124-W126 WeakPolarHBondContact O-CZ3 3.42Å
125	A	90.1	Very high	83.7	Confident	1 Å²	1	60 Å²	60	1%	0.008	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.6	176.6	0	0	0	0	0	110.3	I74 V75 L107 F108 V138	I74-A125 CarbonylContact O-C 3.53Å; I74-A125 VanDerWaalsContact O-CA 3.27Å; I74-A125 WeakPolarHBondContact O-CA 3.3Å; V75-A125 HydrophobicContact CG2-CB 3.78Å; L107-A125 CarbonylContact C-O 3.56Å; L107-A125 WeakPolarHBondContact CA-O 3.29Å; F108-A125 HydrophobicContact CB-CB 4.49Å; F108-A125 PolarHBondContact N-O 3.1Å; F108-A125 PolarHBondContact O-N 2.92Å; A125-V138 HydrophobicContact CB-CB 4.4Å; A125-V138 HydrophobicContact CB-CG1 3.82Å; A125-V138 HydrophobicContact CB-CG2 3.78Å
126	W	89.2	Confident	84.4	Confident	76 Å²	76	54.6 Å²	54.6	29%	0.288	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.4	174	-64.4	-99.3	0	0	0	108.3	N73 I74 Y105 K106 L107 S124	N73-W126 CarbonylContact C-O 3.53Å; N73-W126 WeakPolarHBondContact CA-O 3.36Å; I74-W126 HydrophobicContact CB-CB 4.28Å; I74-W126 HydrophobicContact CB-CE3 4.14Å; I74-W126 HydrophobicContact CG2-CE3 4.05Å; I74-W126 HydrophobicContact CG2-CZ3 4.5Å; I74-W126 PolarHBondContact N-O 2.63Å; I74-W126 PolarHBondContact O-N 3.03Å; Y105-W126 HydrophobicContact CD1-CB 4.23Å; Y105-W126 HydrophobicContact CG-CB 4.38Å; K106-W126 WeakPolarHBondContact O-CA 3.5Å; L107-W126 HydrophobicContact CD1-CD2 3.95Å; L107-W126 VanDerWaalsContact CD1-CE2 3.46Å; L107-W126 HydrophobicContact CD1-CG 4.27Å; L107-W126 HydrophobicContact CD1-CH2 4.41Å; L107-W126 HydrophobicContact CD1-CZ2 3.73Å; S124-W126 WeakPolarHBondContact O-CZ3 3.42Å
127	T	85	Confident	85.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146.9	177.1	67.7	0	0	0	0	109.8	N73 Y105 K106 F108 D134 M135 V138	N73-T127 HydrophobicContact CB-CG2 4.5Å; N73-T127 VanDerWaalsContact OD1-CA 3.25Å; N73-T127 WeakPolarHBondContact OD1-CA 3.29Å; N73-T127 VanDerWaalsContact OD1-CB 3.22Å; N73-T127 WeakPolarHBondContact OD1-CB 3.19Å; N73-T127 WeakPolarHBondContact OD1-CG2 3.41Å; Y105-T127 CarbonylContact C-O 3.52Å; Y105-T127 WeakPolarHBondContact CA-O 3.31Å; K106-T127 PolarHBondContact N-O 2.68Å; K106-T127 PolarHBondContact O-N 2.73Å; F108-T127 HydrophobicContact CD2-CG2 4.42Å; F108-T127 VanDerWaalsContact CE2-OG1 3.29Å; F108-T127 WeakPolarHBondContact CE2-OG1 3.36Å; T127-D134 HydrophobicContact CG2-CB 4.07Å; T127-M135 HydrophobicContact CG2-CE 4.01Å; T127-V138 HydrophobicContact CG2-CG2 3.48Å; T127-V138 VanDerWaalsContact CG2-CG2 3.48Å
128	K	76.5	Confident	86.3	Confident	120 Å²	120	50.2 Å²	50.2	52%	0.522	27%	0.266	S	S	.	.	S	Bend	trans	-78	-41.5	-174.5	-158.7	173.9	-177.6	-179	0	113	S72 Y105	S72-K128 PolarHBondContact O-N 2.94Å; Y105-K128 HydrophobicContact CD1-CB 4.21Å; Y105-K128 HydrophobicContact CE1-CB 4Å; Y105-K128 HydrophobicContact CE1-CG 4.32Å
129	E	75.6	Confident	87.2	Confident	103 Å²	103	44.3 Å²	44.3	48%	0.481	24%	0.239	S	C	.	.	S	Bend	trans	-109.1	-30	-171.4	-55.5	-168.7	152.4	0	0	113.3	K106 K131	K106-E129 PolarHBondContact NZ-O 2.8Å; E129-K131 VanDerWaalsContact C-N 3.29Å; E129-K131 HydrophobicContact CB-CD 4.27Å; E129-K131 HydrophobicContact CB-CG 3.99Å; E129-K131 IonicContact OE1-NZ 3.73Å; E129-K131 WeakPolarHBondContact OE2-CD 3.38Å; E129-K131 WeakPolarHBondContact OE2-CE 3.43Å; E129-K131 IonicContact OE2-NZ 2.63Å; E129-K131 PolarHBondContact OE2-NZ 2.97Å
130	G	75.3	Confident	87.6	Confident	12 Å²	12	44.6 Å²	44.6	12%	0.124	23%	0.234	C	C	.	.			trans	68.7	28.1	-177.5	0	0	0	0	0	113	D134	G130-D134 PolarHBondContact N-OD2 3.43Å
131	K	83.5	Confident	87.8	Confident	123 Å²	123	44.8 Å²	44.8	54%	0.535	23%	0.232	S	C	.	.			trans	-75.2	170.6	176.7	-70.6	-178.6	-176.7	160.3	0	110.5	E129 G133 D134 M135	E129-K131 VanDerWaalsContact C-N 3.29Å; E129-K131 HydrophobicContact CB-CD 4.27Å; E129-K131 HydrophobicContact CB-CG 3.99Å; E129-K131 IonicContact OE1-NZ 3.73Å; E129-K131 WeakPolarHBondContact OE2-CD 3.38Å; E129-K131 WeakPolarHBondContact OE2-CE 3.43Å; E129-K131 IonicContact OE2-NZ 2.63Å; E129-K131 PolarHBondContact OE2-NZ 2.97Å; K131-G133 VanDerWaalsContact C-N 3.27Å; K131-G133 PolarHBondContact O-N 2.79Å; K131-D134 PolarHBondContact N-OD2 3.34Å; K131-D134 WeakPolarHBondContact O-CB 3.44Å; K131-D134 PolarHBondContact O-N 2.95Å; K131-D134 VanDerWaalsContact O-N 3.12Å; K131-M135 PolarHBondContact O-N 3Å
132	K	84	Confident	87.9	Confident	109 Å²	109	42.1 Å²	42.1	47%	0.474	22%	0.215	S	C	.	.	H	α-helix	trans	-53.1	-44	177.2	178.4	177.6	169.9	171.4	0	112.2	D134 M135 V136 S165	K132-D134 PolarHBondContact O-N 2.82Å; K132-M135 PolarHBondContact O-N 2.78Å; K132-V136 HydrophobicContact CG-CG2 4.47Å; K132-V136 WeakPolarHBondContact O-CG2 3.4Å; K132-V136 PolarHBondContact O-N 2.94Å; K132-S165 WeakPolarHBondContact CE-OG 3.33Å; K132-S165 PolarHBondContact NZ-OG 3.11Å
133	G	86.2	Confident	88	Confident	53 Å²	53	46.7 Å²	46.7	55%	0.546	23%	0.234	S	C	.	.	H	α-helix	trans	-59.6	-43.5	177.9	0	0	0	0	0	112.8	K131 M135 V136 W137	K131-G133 VanDerWaalsContact C-N 3.27Å; K131-G133 PolarHBondContact O-N 2.79Å; G133-M135 VanDerWaalsContact C-N 3.31Å; G133-M135 PolarHBondContact O-N 2.79Å; G133-V136 PolarHBondContact O-N 2.84Å; G133-W137 PolarHBondContact O-N 3.44Å
134	D	87.8	Confident	88	Confident	28 Å²	28	52.6 Å²	52.6	15%	0.15	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-41.4	175.5	-56.2	-31.8	0	0	0	111.1	T127 G130 K131 K132 W137 V138	T127-D134 HydrophobicContact CG2-CB 4.07Å; G130-D134 PolarHBondContact N-OD2 3.43Å; K131-D134 PolarHBondContact N-OD2 3.34Å; K131-D134 WeakPolarHBondContact O-CB 3.44Å; K131-D134 PolarHBondContact O-N 2.95Å; K131-D134 VanDerWaalsContact O-N 3.12Å; K132-D134 PolarHBondContact O-N 2.82Å; D134-W137 WeakPolarHBondContact O-CB 3.44Å; D134-W137 PolarHBondContact O-N 3.15Å; D134-V138 WeakPolarHBondContact O-CG2 3.49Å; D134-V138 PolarHBondContact O-N 3.04Å
135	M	90.1	Very high	87.9	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.015	27%	0.27	C	S	.	.	H	α-helix	trans	-68.1	-40	179.4	-65.8	-56.4	100	0	0	111.7	F108 T127 K131 K132 G133 W137 V138 I139 V163 A166	F108-M135 HydrophobicContact CD1-CE 4.18Å; F108-M135 HydrophobicContact CD1-SD 3.8Å; F108-M135 HydrophobicContact CD2-CE 3.75Å; F108-M135 HydrophobicContact CD2-SD 4.44Å; F108-M135 HydrophobicContact CE1-CE 3.77Å; F108-M135 HydrophobicContact CE1-SD 3.39Å; F108-M135 WeakPolarHBondContact CE1-SD 3.29Å; F108-M135 HydrophobicContact CE2-CE 3.3Å; F108-M135 HydrophobicContact CE2-SD 4.11Å; F108-M135 HydrophobicContact CG-CE 4.18Å; F108-M135 HydrophobicContact CG-SD 4.3Å; F108-M135 HydrophobicContact CZ-CE 3.31Å; F108-M135 HydrophobicContact CZ-SD 3.57Å; F108-M135 VanDerWaalsContact CZ-SD 3.57Å; T127-M135 HydrophobicContact CG2-CE 4.01Å; K131-M135 PolarHBondContact O-N 3Å; K132-M135 PolarHBondContact O-N 2.78Å; G133-M135 VanDerWaalsContact C-N 3.31Å; G133-M135 PolarHBondContact O-N 2.79Å; M135-W137 PolarHBondContact O-N 3.2Å; M135-V138 HydrophobicContact CE-CG2 4.06Å; M135-V138 PolarHBondContact O-N 2.91Å; M135-I139 VanDerWaalsContact O-CG1 3.24Å; M135-I139 WeakPolarHBondContact O-CG1 3.33Å; M135-I139 PolarHBondContact O-N 3Å; M135-V163 HydrophobicContact CG-CG2 3.98Å; M135-V163 HydrophobicContact SD-CG2 3.8Å; M135-A166 HydrophobicContact CB-CB 3.59Å
136	V	91.5	Very high	88	Confident	44 Å²	44	53.8 Å²	53.8	27%	0.267	27%	0.271	S	S	.	.	H	α-helix	trans	-58.6	-41.7	172.1	172.1	0	0	0	0	110.4	K132 G133 S140 A166	K132-V136 HydrophobicContact CG-CG2 4.47Å; K132-V136 WeakPolarHBondContact O-CG2 3.4Å; K132-V136 PolarHBondContact O-N 2.94Å; G133-V136 PolarHBondContact O-N 2.84Å; V136-S140 VanDerWaalsContact O-CB 3.28Å; V136-S140 WeakPolarHBondContact O-CB 3.46Å; V136-S140 PolarHBondContact O-N 3.07Å; V136-S140 PolarHBondContact O-OG 3.27Å; V136-A166 HydrophobicContact CG2-CB 3.83Å
137	W	91.6	Very high	88	Confident	79 Å²	79	52.3 Å²	52.3	30%	0.299	28%	0.279	S	S	.	.	H	α-helix	trans	-61.9	-49	174.7	-179.4	90.1	0	0	0	111.8	N73 V75 G133 D134 M135 I139 S140 Q141	N73-W137 HydrophobicContact CB-CD2 4.1Å; N73-W137 HydrophobicContact CB-CE3 3.68Å; N73-W137 HydrophobicContact CB-CH2 3.52Å; N73-W137 HydrophobicContact CB-CZ2 3.92Å; N73-W137 HydrophobicContact CB-CZ3 3.4Å; V75-W137 HydrophobicContact CB-CH2 4.31Å; V75-W137 HydrophobicContact CG2-CH2 3.82Å; V75-W137 HydrophobicContact CG2-CZ3 3.93Å; G133-W137 PolarHBondContact O-N 3.44Å; D134-W137 WeakPolarHBondContact O-CB 3.44Å; D134-W137 PolarHBondContact O-N 3.15Å; M135-W137 PolarHBondContact O-N 3.2Å; W137-I139 PolarHBondContact O-N 3.25Å; W137-S140 WeakPolarHBondContact O-CB 3.2Å; W137-S140 PolarHBondContact O-N 2.74Å; W137-S140 VanDerWaalsContact O-N 3.15Å; W137-Q141 HydrophobicContact CD2-CG 3.86Å; W137-Q141 HydrophobicContact CE3-CG 4.06Å; W137-Q141 HydrophobicContact CH2-CG 3.8Å; W137-Q141 HydrophobicContact CZ2-CG 3.6Å; W137-Q141 HydrophobicContact CZ3-CG 4.01Å; W137-Q141 WeakPolarHBondContact O-CG 3.28Å; W137-Q141 PolarHBondContact O-N 3.3Å
138	V	91.8	Very high	88.3	Confident	7 Å²	7	57.9 Å²	57.9	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-57.2	-48.6	178	171.1	0	0	0	0	111.5	A125 T127 D134 M135 S140 Q141 F142	A125-V138 HydrophobicContact CB-CB 4.4Å; A125-V138 HydrophobicContact CB-CG1 3.82Å; A125-V138 HydrophobicContact CB-CG2 3.78Å; T127-V138 HydrophobicContact CG2-CG2 3.48Å; T127-V138 VanDerWaalsContact CG2-CG2 3.48Å; D134-V138 WeakPolarHBondContact O-CG2 3.49Å; D134-V138 PolarHBondContact O-N 3.04Å; M135-V138 HydrophobicContact CE-CG2 4.06Å; M135-V138 PolarHBondContact O-N 2.91Å; V138-S140 VanDerWaalsContact C-N 3.29Å; V138-S140 PolarHBondContact O-N 2.83Å; V138-Q141 PolarHBondContact O-N 2.79Å; V138-F142 PolarHBondContact O-N 3.24Å
139	I	93.4	Very high	89.1	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-65.3	-35.3	179.6	-61.1	-56.8	0	0	0	111.2	I94 M135 W137 F142 K143 A166 V167 T170 Y171	I94-I139 HydrophobicContact CD1-CD1 3.37Å; M135-I139 VanDerWaalsContact O-CG1 3.24Å; M135-I139 WeakPolarHBondContact O-CG1 3.33Å; M135-I139 PolarHBondContact O-N 3Å; W137-I139 PolarHBondContact O-N 3.25Å; I139-F142 PolarHBondContact O-N 2.91Å; I139-K143 PolarHBondContact O-N 3.21Å; I139-A166 HydrophobicContact CG1-CB 4.08Å; I139-V167 HydrophobicContact CD1-CG2 3.74Å; I139-V167 HydrophobicContact CG1-CG2 4.09Å; I139-T170 HydrophobicContact CG2-CG2 3.78Å; I139-Y171 HydrophobicContact CG2-CD2 3.76Å; I139-Y171 HydrophobicContact CG2-CE2 3.53Å
140	S	92.7	Very high	89.9	Confident	49 Å²	49	50.8 Å²	50.8	34%	0.343	29%	0.286	S	S	.	.	H	α-helix	trans	-68	-40.2	175	-59.1	0	0	0	0	111.7	V136 W137 V138 F142 K143 L144	V136-S140 VanDerWaalsContact O-CB 3.28Å; V136-S140 WeakPolarHBondContact O-CB 3.46Å; V136-S140 PolarHBondContact O-N 3.07Å; V136-S140 PolarHBondContact O-OG 3.27Å; W137-S140 WeakPolarHBondContact O-CB 3.2Å; W137-S140 PolarHBondContact O-N 2.74Å; W137-S140 VanDerWaalsContact O-N 3.15Å; V138-S140 VanDerWaalsContact C-N 3.29Å; V138-S140 PolarHBondContact O-N 2.83Å; S140-F142 VanDerWaalsContact C-N 3.35Å; S140-K143 PolarHBondContact O-N 3.41Å; S140-L144 WeakPolarHBondContact O-CB 3.32Å; S140-L144 PolarHBondContact O-N 2.94Å
141	Q	91.9	Very high	90.6	Very high	48 Å²	48	54 Å²	54	22%	0.224	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-41.7	174.7	-68.6	-51.2	-54.7	0	0	111.4	V75 W137 V138 K143 L144 T145	V75-Q141 HydrophobicContact CG2-CB 3.9Å; V75-Q141 HydrophobicContact CG2-CG 4.14Å; W137-Q141 HydrophobicContact CD2-CG 3.86Å; W137-Q141 HydrophobicContact CE3-CG 4.06Å; W137-Q141 HydrophobicContact CH2-CG 3.8Å; W137-Q141 HydrophobicContact CZ2-CG 3.6Å; W137-Q141 HydrophobicContact CZ3-CG 4.01Å; W137-Q141 WeakPolarHBondContact O-CG 3.28Å; W137-Q141 PolarHBondContact O-N 3.3Å; V138-Q141 PolarHBondContact O-N 2.79Å; Q141-K143 PolarHBondContact O-N 3.42Å; Q141-L144 PolarHBondContact O-N 3.45Å; Q141-T145 WeakPolarHBondContact O-CB 3.27Å; Q141-T145 PolarHBondContact O-N 2.98Å; Q141-T145 PolarHBondContact O-OG1 3.39Å
142	F	93.7	Very high	91.1	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-55.9	-50.6	172.5	172.6	-99.8	0	0	0	111.4	Y85 I92 V122 I123 V138 I139 S140 L144 T145 M146 T149 Y171	Y85-F142 HydrophobicContact CD2-CE2 4.29Å; Y85-F142 AromaticContact CD2-CZ 3.98Å; Y85-F142 HydrophobicContact CD2-CZ 3.98Å; Y85-F142 HydrophobicContact CE2-CE1 4.45Å; Y85-F142 HydrophobicContact CE2-CE2 4.33Å; Y85-F142 AromaticContact CE2-CZ 3.58Å; Y85-F142 HydrophobicContact CE2-CZ 3.58Å; I92-F142 HydrophobicContact CD1-CE2 4.46Å; I92-F142 HydrophobicContact CD1-CZ 4.05Å; I92-F142 HydrophobicContact CG1-CZ 3.92Å; I92-F142 HydrophobicContact CG2-CZ 4.5Å; V122-F142 HydrophobicContact CG2-CE2 4.04Å; I123-F142 HydrophobicContact CG2-CB 4.43Å; I123-F142 HydrophobicContact CG2-CD2 3.66Å; I123-F142 HydrophobicContact CG2-CE2 4.48Å; V138-F142 PolarHBondContact O-N 3.24Å; I139-F142 PolarHBondContact O-N 2.91Å; S140-F142 VanDerWaalsContact C-N 3.35Å; F142-L144 PolarHBondContact O-N 3.47Å; F142-T145 PolarHBondContact O-N 2.78Å; F142-M146 HydrophobicContact CD2-CE 4.21Å; F142-M146 HydrophobicContact CD2-CG 3.74Å; F142-M146 HydrophobicContact CE2-CE 4.17Å; F142-M146 HydrophobicContact CE2-CG 3.55Å; F142-M146 HydrophobicContact CG-CG 4.36Å; F142-M146 HydrophobicContact CZ-CG 3.98Å; F142-M146 VanDerWaalsContact O-CB 3.31Å; F142-M146 WeakPolarHBondContact O-CB 3.4Å; F142-M146 VanDerWaalsContact O-CG 3.28Å; F142-M146 WeakPolarHBondContact O-CG 3.29Å; F142-M146 PolarHBondContact O-N 3.23Å; F142-T149 HydrophobicContact CE1-CG2 4.18Å; F142-Y171 HydrophobicContact CD1-CE2 4.46Å; F142-Y171 WeakPolarHBondContact CD1-OH 3.23Å
143	K	93.2	Very high	91.2	Very high	95 Å²	95	48 Å²	48	41%	0.413	27%	0.274	S	S	.	.	H	α-helix	trans	-58.9	-47	178.1	-171.8	170.3	-176.1	175.7	0	112.2	I139 S140 Q141 G147 T170 Y171	I139-K143 PolarHBondContact O-N 3.21Å; S140-K143 PolarHBondContact O-N 3.41Å; Q141-K143 PolarHBondContact O-N 3.42Å; K143-G147 PolarHBondContact O-N 3.31Å; K143-G147 VanDerWaalsContact O-N 3.09Å; K143-T170 HydrophobicContact CD-CG2 4.12Å; K143-Y171 WeakPolarHBondContact CB-OH 3.44Å
144	L	92.5	Very high	91.4	Very high	130 Å²	130	48.3 Å²	48.3	68%	0.681	26%	0.262	S	S	*	.	H	α-helix	trans	-62.1	-44.5	179.2	-176.6	68.9	0	0	0	111.9	S140 Q141 F142	S140-L144 WeakPolarHBondContact O-CB 3.32Å; S140-L144 PolarHBondContact O-N 2.94Å; Q141-L144 PolarHBondContact O-N 3.45Å; F142-L144 PolarHBondContact O-N 3.47Å
145	T	90.9	Very high	91.5	Very high	38 Å²	38	47 Å²	47	23%	0.233	26%	0.255	C	S	.	.	H	α-helix	trans	-71.7	-42.1	-174.6	-59.8	0	0	0	0	111.8	V77 I82 I123 Q141 F142 G147	V77-T145 HydrophobicContact CB-CG2 4.07Å; V77-T145 HydrophobicContact CG1-CG2 3.72Å; V77-T145 HydrophobicContact CG2-CG2 3.83Å; I82-T145 HydrophobicContact CD1-CG2 4.45Å; I123-T145 HydrophobicContact CD1-CG2 4.49Å; Q141-T145 WeakPolarHBondContact O-CB 3.27Å; Q141-T145 PolarHBondContact O-N 2.98Å; Q141-T145 PolarHBondContact O-OG1 3.39Å; F142-T145 PolarHBondContact O-N 2.78Å; T145-G147 VanDerWaalsContact C-N 3.34Å
146	M	91.4	Very high	91.3	Very high	9 Å²	9	48 Å²	48	4%	0.044	26%	0.261	C	S	.	.	H	α-helix	trans	-81.3	-16.7	-177.4	-64	-54.1	162.3	0	0	112.9	V77 I82 Y85 V122 I123 F142 N148 T149	V77-M146 HydrophobicContact CG2-CE 4.3Å; I82-M146 HydrophobicContact CG1-SD 4.3Å; Y85-M146 HydrophobicContact CD1-CB 3.63Å; Y85-M146 HydrophobicContact CD1-CG 3.76Å; Y85-M146 HydrophobicContact CD1-SD 3.67Å; Y85-M146 HydrophobicContact CE1-CB 3.51Å; Y85-M146 HydrophobicContact CE1-CG 4.02Å; Y85-M146 HydrophobicContact CG-CB 4.38Å; Y85-M146 HydrophobicContact CG-CG 4.02Å; Y85-M146 HydrophobicContact CG-SD 3.7Å; V122-M146 HydrophobicContact CB-CE 3.92Å; V122-M146 HydrophobicContact CG2-CE 4.12Å; V122-M146 VanDerWaalsContact O-CE 3.24Å; V122-M146 WeakPolarHBondContact O-CE 3.43Å; I123-M146 HydrophobicContact CB-CE 4.15Å; F142-M146 HydrophobicContact CD2-CE 4.21Å; F142-M146 HydrophobicContact CD2-CG 3.74Å; F142-M146 HydrophobicContact CE2-CE 4.17Å; F142-M146 HydrophobicContact CE2-CG 3.55Å; F142-M146 HydrophobicContact CG-CG 4.36Å; F142-M146 HydrophobicContact CZ-CG 3.98Å; F142-M146 VanDerWaalsContact O-CB 3.31Å; F142-M146 WeakPolarHBondContact O-CB 3.4Å; F142-M146 VanDerWaalsContact O-CG 3.28Å; F142-M146 WeakPolarHBondContact O-CG 3.29Å; F142-M146 PolarHBondContact O-N 3.23Å; M146-N148 PolarHBondContact O-N 3.19Å; M146-T149 HydrophobicContact CB-CG2 3.77Å
147	G	90.3	Very high	91.1	Very high	44 Å²	44	45.9 Å²	45.9	45%	0.454	25%	0.248	S	C	.	.			trans	76.9	-114.9	179.9	0	0	0	0	0	111.8	K143 T145 T149	K143-G147 PolarHBondContact O-N 3.31Å; K143-G147 VanDerWaalsContact O-N 3.09Å; T145-G147 VanDerWaalsContact C-N 3.34Å; G147-T149 PolarHBondContact O-N 3.32Å; G147-T149 VanDerWaalsContact O-N 3.12Å
148	N	90.4	Very high	90.7	Very high	117 Å²	117	43.1 Å²	43.1	63%	0.626	24%	0.239	S	C	*	.			trans	-74.5	104.6	-179.6	-177.8	9	0	0	0	111.1	M146 S150	M146-N148 PolarHBondContact O-N 3.19Å; N148-S150 WeakPolarHBondContact OD1-CB 3.27Å; N148-S150 PolarHBondContact OD1-N 2.78Å; N148-S150 VanDerWaalsContact OD1-N 3.11Å; N148-S150 PolarHBondContact OD1-OG 2.94Å
149	T	94	Very high	90	Very high	8 Å²	8	47 Å²	47	5%	0.049	25%	0.254	C	S	.	.			trans	-106.8	15.5	178.7	63.8	0	0	0	0	114.4	Y85 F142 M146 G147 N151 T152 Y171	Y85-T149 HydrophobicContact CE1-CG2 4.22Å; Y85-T149 VanDerWaalsContact OH-CA 3.28Å; Y85-T149 WeakPolarHBondContact OH-CA 3.44Å; Y85-T149 VanDerWaalsContact OH-CB 3.32Å; Y85-T149 WeakPolarHBondContact OH-CB 3.35Å; Y85-T149 WeakPolarHBondContact OH-CG2 3.33Å; F142-T149 HydrophobicContact CE1-CG2 4.18Å; M146-T149 HydrophobicContact CB-CG2 3.77Å; G147-T149 PolarHBondContact O-N 3.32Å; G147-T149 VanDerWaalsContact O-N 3.12Å; T149-N151 PolarHBondContact O-N 2.95Å; T149-N151 VanDerWaalsContact O-N 3.15Å; T149-T152 WeakPolarHBondContact O-CB 3.4Å; T149-T152 PolarHBondContact O-N 3.11Å; T149-Y171 WeakPolarHBondContact CB-OH 3.42Å; T149-Y171 VanDerWaalsContact OG1-CE1 3.27Å; T149-Y171 WeakPolarHBondContact OG1-CE1 3.49Å; T149-Y171 PolarHBondContact OG1-OH 3.29Å
150	S	91.2	Very high	89.5	Confident	67 Å²	67	47.7 Å²	47.7	47%	0.469	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.4	-179.7	57.1	0	0	0	0	114.4	N148 K153	N148-S150 WeakPolarHBondContact OD1-CB 3.27Å; N148-S150 PolarHBondContact OD1-N 2.78Å; N148-S150 VanDerWaalsContact OD1-N 3.11Å; N148-S150 PolarHBondContact OD1-OG 2.94Å; S150-K153 PolarHBondContact O-NZ 3.32Å
151	N	90.8	Very high	89	Confident	78 Å²	78	54.4 Å²	54.4	42%	0.417	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-10.3	176.2	-71.5	-17.7	0	0	0	113.5	L89 E90 T149 K153	L89-N151 HydrophobicContact CB-CB 3.85Å; L89-N151 HydrophobicContact CD1-CB 4.04Å; E90-N151 WeakPolarHBondContact CA-O 3.32Å; T149-N151 PolarHBondContact O-N 2.95Å; T149-N151 VanDerWaalsContact O-N 3.15Å; N151-K153 WeakPolarHBondContact O-CG 3.49Å; N151-K153 PolarHBondContact O-N 2.92Å; N151-K153 VanDerWaalsContact O-N 3.11Å
152	T	92.9	Very high	88.7	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.012	28%	0.278	C	S	.	.			trans	-74.3	104.7	173.1	-59	0	0	0	0	109.7	Y85 L89 I92 T149 F155	Y85-T152 PolarHBondContact OH-OG1 3.47Å; L89-T152 WeakPolarHBondContact O-CA 3.3Å; L89-T152 WeakPolarHBondContact O-CB 3.3Å; L89-T152 PolarHBondContact O-N 3.25Å; L89-T152 PolarHBondContact O-OG1 3.36Å; I92-T152 HydrophobicContact CB-CG2 4.37Å; I92-T152 HydrophobicContact CG1-CG2 3.73Å; T149-T152 WeakPolarHBondContact O-CB 3.4Å; T149-T152 PolarHBondContact O-N 3.11Å; T152-F155 HydrophobicContact CG2-CD2 4.29Å; T152-F155 HydrophobicContact CG2-CE1 4.35Å; T152-F155 HydrophobicContact CG2-CE2 3.59Å; T152-F155 HydrophobicContact CG2-CZ 3.63Å
153	K	87.5	Confident	88.4	Confident	106 Å²	106	53.8 Å²	53.8	46%	0.461	28%	0.279	S	S	.	.			trans	-99.4	-22.2	-174.9	-57.7	-48.8	-176.1	-171.2	0	112.9	E90 S150 N151 A174 H175	E90-K153 PolarHBondContact O-N 3.22Å; S150-K153 PolarHBondContact O-NZ 3.32Å; N151-K153 WeakPolarHBondContact O-CG 3.49Å; N151-K153 PolarHBondContact O-N 2.92Å; N151-K153 VanDerWaalsContact O-N 3.11Å; K153-A174 CarbonylContact O-C 3.6Å; K153-A174 WeakPolarHBondContact O-CA 3.48Å; K153-H175 PolarHBondContact O-N 2.95Å
154	M	90.1	Very high	88.2	Confident	58 Å²	58	50.8 Å²	50.8	29%	0.286	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	134.1	-174.6	-173.4	174.9	-70.7	0	0	112.1	E90 V91 I92 V156 H175 V177	E90-M154 PolarHBondContact O-N 2.98Å; V91-M154 WeakPolarHBondContact CA-O 3.32Å; V91-M154 HydrophobicContact CG2-CB 4.26Å; I92-M154 PolarHBondContact N-O 3.42Å; M154-V156 HydrophobicContact CG-CG2 4.35Å; M154-V156 HydrophobicContact SD-CG2 4.36Å; M154-H175 CarbonylContact C-O 3.19Å; M154-H175 WeakPolarHBondContact CA-O 3.26Å; M154-V177 HydrophobicContact CE-CG2 3.83Å; M154-V177 HydrophobicContact CG-CB 4.47Å; M154-V177 HydrophobicContact CG-CG2 3.95Å; M154-V177 HydrophobicContact SD-CB 4.3Å; M154-V177 HydrophobicContact SD-CG2 3.67Å
155	F	89.6	Confident	88	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.2	166.5	-73.8	-92.1	0	0	0	110.3	I92 I94 T152 I157 V167 Y171 A174 H175 V177	I92-F155 HydrophobicContact CB-CD1 3.93Å; I92-F155 HydrophobicContact CB-CE1 3.87Å; I92-F155 HydrophobicContact CG1-CE1 4.49Å; I92-F155 HydrophobicContact CG2-CD1 4.05Å; I92-F155 HydrophobicContact CG2-CE1 3.9Å; I92-F155 CarbonylContact O-C 3.54Å; I92-F155 VanDerWaalsContact O-CA 3.27Å; I92-F155 WeakPolarHBondContact O-CA 3.39Å; I94-F155 HydrophobicContact CD1-CD1 3.76Å; I94-F155 HydrophobicContact CD1-CE1 4.1Å; I94-F155 HydrophobicContact CG1-CD1 4.17Å; T152-F155 HydrophobicContact CG2-CD2 4.29Å; T152-F155 HydrophobicContact CG2-CE1 4.35Å; T152-F155 HydrophobicContact CG2-CE2 3.59Å; T152-F155 HydrophobicContact CG2-CZ 3.63Å; F155-I157 HydrophobicContact CB-CD1 3.88Å; F155-I157 HydrophobicContact CB-CG1 3.94Å; F155-V167 HydrophobicContact CB-CG1 3.95Å; F155-V167 HydrophobicContact CD1-CG1 4.25Å; F155-V167 HydrophobicContact CD1-CG2 4.2Å; F155-V167 HydrophobicContact CD2-CG1 3.44Å; F155-V167 VanDerWaalsContact CD2-CG1 3.44Å; F155-V167 HydrophobicContact CE2-CG1 3.95Å; F155-V167 HydrophobicContact CG-CG1 3.61Å; F155-V167 HydrophobicContact CG-CG2 4.3Å; F155-Y171 AromaticContact CE2-CD1 3.87Å; F155-Y171 HydrophobicContact CE2-CD1 3.87Å; F155-Y171 AromaticContact CE2-CD2 3.75Å; F155-Y171 HydrophobicContact CE2-CD2 3.75Å; F155-Y171 HydrophobicContact CE2-CE1 4.32Å; F155-Y171 HydrophobicContact CE2-CE2 4.23Å; F155-Y171 AromaticContact CE2-CG 3.57Å; F155-Y171 HydrophobicContact CE2-CG 3.57Å; F155-Y171 HydrophobicContact CZ-CD1 4.16Å; F155-Y171 AromaticContact CZ-CD2 3.65Å; F155-Y171 HydrophobicContact CZ-CD2 3.65Å; F155-Y171 HydrophobicContact CZ-CE1 4.19Å; F155-Y171 AromaticContact CZ-CE2 3.69Å; F155-Y171 HydrophobicContact CZ-CE2 3.69Å; F155-Y171 AromaticContact CZ-CG 3.91Å; F155-Y171 HydrophobicContact CZ-CG 3.91Å; F155-Y171 AromaticContact CZ-CZ 3.98Å; F155-A174 HydrophobicContact CD2-CB 3.8Å; F155-A174 HydrophobicContact CE2-CB 3.94Å; F155-H175 PolarHBondContact N-O 3.44Å; F155-V177 PolarHBondContact O-N 3.19Å
156	V	87.2	Confident	88.1	Confident	23 Å²	23	44.7 Å²	44.7	14%	0.139	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113	174.5	-178.1	0	0	0	0	108.4	V91 I92 C93 I94 M154 V177 C179	V91-V156 HydrophobicContact CG1-CG2 3.84Å; I92-V156 PolarHBondContact O-N 3.1Å; C93-V156 CarbonylContact C-O 3.49Å; C93-V156 VanDerWaalsContact CA-O 3.26Å; C93-V156 WeakPolarHBondContact CA-O 3.44Å; C93-V156 HydrophobicContact CB-CB 4.39Å; I94-V156 PolarHBondContact N-O 3.28Å; M154-V156 HydrophobicContact CG-CG2 4.35Å; M154-V156 HydrophobicContact SD-CG2 4.36Å; V156-V177 CarbonylContact C-O 3.52Å; V156-V177 VanDerWaalsContact CA-O 3.3Å; V156-V177 WeakPolarHBondContact CA-O 3.24Å; V156-C179 HydrophobicContact CG1-CB 3.89Å
157	I	86.2	Confident	88.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.4	-167.3	-43.6	176.9	0	0	0	110	F155 V163 V167 I176 V177 L178 C179	F155-I157 HydrophobicContact CB-CD1 3.88Å; F155-I157 HydrophobicContact CB-CG1 3.94Å; I157-V163 HydrophobicContact CD1-CG1 4.12Å; I157-V163 HydrophobicContact CG2-CB 3.81Å; I157-V163 HydrophobicContact CG2-CG1 3.52Å; I157-V167 HydrophobicContact CD1-CB 4.09Å; I157-V167 HydrophobicContact CD1-CG1 4.41Å; I157-V167 HydrophobicContact CD1-CG2 3.69Å; I157-I176 HydrophobicContact CD1-CG2 3.76Å; I157-I176 HydrophobicContact CG1-CG2 4.29Å; I157-V177 PolarHBondContact N-O 3.12Å; I157-L178 CarbonylContact O-C 3.54Å; I157-L178 WeakPolarHBondContact O-CA 2.97Å; I157-C179 WeakPolarHBondContact O-CB 3.29Å; I157-C179 PolarHBondContact O-N 3.42Å
158	D	82.8	Confident	88.1	Confident	21 Å²	21	43.7 Å²	43.7	11%	0.112	23%	0.229	C	C	.	.			trans	-60.1	171.8	163.2	65.7	-6.4	0	0	0	111.7	A160 H182	D158-A160 PolarHBondContact O-N 3.45Å; D158-A160 WeakPolarHBondContact OD1-CB 3.25Å; D158-H182 HydrophobicContact CB-CB 4.26Å
159	Y	77.4	Confident	88.1	Confident	89 Å²	89	41.4 Å²	41.4	35%	0.349	22%	0.22	S	C	.	.	S	Bend	trans	-78.1	55.6	176.6	-166.3	-114.4	0	0	0	111.7	I164 L178	Y159-I164 HydrophobicContact CD2-CD1 4.12Å; Y159-I164 HydrophobicContact CE2-CD1 4.46Å; Y159-L178 HydrophobicContact CD2-CD1 4.07Å; Y159-L178 HydrophobicContact CD2-CD2 3.9Å
160	A	82.1	Confident	88	Confident	17 Å²	17	42.2 Å²	42.2	14%	0.14	22%	0.224	C	C	.	.			trans	-99	103.6	174.9	0	0	0	0	0	110.3	D158 S162 V163 I164	D158-A160 PolarHBondContact O-N 3.45Å; D158-A160 WeakPolarHBondContact OD1-CB 3.25Å; A160-S162 PolarHBondContact O-N 2.89Å; A160-S162 VanDerWaalsContact O-N 3.15Å; A160-V163 HydrophobicContact CB-CB 4.1Å; A160-V163 HydrophobicContact CB-CG2 3.63Å; A160-V163 PolarHBondContact O-N 2.86Å; A160-I164 WeakPolarHBondContact O-CG1 3.45Å; A160-I164 PolarHBondContact O-N 2.9Å
161	R	82.4	Confident	88	Confident	191 Å²	191	39.8 Å²	39.8	72%	0.721	21%	0.205	S	C	*	.	H	α-helix	trans	-54.1	-36.5	-178.9	-70.4	-172.7	-179.3	-178.9	0.6	113.6	S165	R161-S165 VanDerWaalsContact O-CB 3.24Å; R161-S165 WeakPolarHBondContact O-CB 3.5Å; R161-S165 PolarHBondContact O-N 3.26Å
162	S	86.8	Confident	87.9	Confident	33 Å²	33	43.5 Å²	43.5	23%	0.231	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-41.5	177.6	47.6	0	0	0	0	111.8	A160 A166	A160-S162 PolarHBondContact O-N 2.89Å; A160-S162 VanDerWaalsContact O-N 3.15Å; S162-A166 VanDerWaalsContact O-CB 3.31Å; S162-A166 WeakPolarHBondContact O-CB 3.45Å; S162-A166 PolarHBondContact O-N 3.05Å
163	V	87.8	Confident	87.7	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-72.5	-47.1	179.3	-168.7	0	0	0	0	110.5	I94 F108 M135 I157 A160 S165 A166 V167	I94-V163 HydrophobicContact CB-CG1 4.41Å; I94-V163 HydrophobicContact CD1-CG1 4.14Å; I94-V163 HydrophobicContact CG2-CG1 3.97Å; F108-V163 HydrophobicContact CE1-CG2 4.33Å; M135-V163 HydrophobicContact CG-CG2 3.98Å; M135-V163 HydrophobicContact SD-CG2 3.8Å; I157-V163 HydrophobicContact CD1-CG1 4.12Å; I157-V163 HydrophobicContact CG2-CB 3.81Å; I157-V163 HydrophobicContact CG2-CG1 3.52Å; A160-V163 HydrophobicContact CB-CB 4.1Å; A160-V163 HydrophobicContact CB-CG2 3.63Å; A160-V163 PolarHBondContact O-N 2.86Å; V163-S165 VanDerWaalsContact C-N 3.3Å; V163-S165 PolarHBondContact O-N 2.99Å; V163-A166 PolarHBondContact O-N 3.17Å; V163-A166 VanDerWaalsContact O-N 3.13Å; V163-V167 HydrophobicContact CG1-CG2 4.44Å; V163-V167 WeakPolarHBondContact O-CG2 3.5Å; V163-V167 PolarHBondContact O-N 3.07Å
164	I	87.9	Confident	87.7	Confident	31 Å²	31	44.7 Å²	44.7	16%	0.159	24%	0.237	C	C	.	.	H	α-helix	trans	-54.6	-49.1	175.7	-66.2	166.3	0	0	0	110.1	Y159 A160 A166 V167 G168 I176 L178 L264	Y159-I164 HydrophobicContact CD2-CD1 4.12Å; Y159-I164 HydrophobicContact CE2-CD1 4.46Å; A160-I164 WeakPolarHBondContact O-CG1 3.45Å; A160-I164 PolarHBondContact O-N 2.9Å; I164-A166 PolarHBondContact O-N 3.24Å; I164-V167 PolarHBondContact O-N 2.93Å; I164-G168 PolarHBondContact O-N 3.13Å; I164-I176 HydrophobicContact CG1-CG2 4.43Å; I164-I176 HydrophobicContact CG2-CD1 4.19Å; I164-L178 HydrophobicContact CD1-CD2 4.21Å; I164-L264 HydrophobicContact CD1-CD1 3.86Å; I164-L264 HydrophobicContact CG1-CD1 4.31Å; I164-L264 HydrophobicContact CG2-CD1 4.2Å
165	S	88.6	Confident	87.5	Confident	40 Å²	40	47.2 Å²	47.2	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-65.5	-38.3	179.4	-173.5	0	0	0	0	112.4	K132 R161 V163 T169	K132-S165 WeakPolarHBondContact CE-OG 3.33Å; K132-S165 PolarHBondContact NZ-OG 3.11Å; R161-S165 VanDerWaalsContact O-CB 3.24Å; R161-S165 WeakPolarHBondContact O-CB 3.5Å; R161-S165 PolarHBondContact O-N 3.26Å; V163-S165 VanDerWaalsContact C-N 3.3Å; V163-S165 PolarHBondContact O-N 2.99Å; S165-T169 WeakPolarHBondContact O-CB 3.49Å; S165-T169 PolarHBondContact O-N 2.77Å; S165-T169 PolarHBondContact O-OG1 3.45Å
166	A	92.4	Very high	87.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-45.4	177.3	0	0	0	0	0	111.9	M135 V136 I139 S162 V163 I164 T169 T170	M135-A166 HydrophobicContact CB-CB 3.59Å; V136-A166 HydrophobicContact CG2-CB 3.83Å; I139-A166 HydrophobicContact CG1-CB 4.08Å; S162-A166 VanDerWaalsContact O-CB 3.31Å; S162-A166 WeakPolarHBondContact O-CB 3.45Å; S162-A166 PolarHBondContact O-N 3.05Å; V163-A166 PolarHBondContact O-N 3.17Å; V163-A166 VanDerWaalsContact O-N 3.13Å; I164-A166 PolarHBondContact O-N 3.24Å; A166-T169 PolarHBondContact O-N 3.47Å; A166-T170 PolarHBondContact O-N 2.91Å; A166-T170 PolarHBondContact O-OG1 3.22Å; A166-T170 VanDerWaalsContact O-OG1 3.11Å
167	V	91.8	Very high	87.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.9	-48.4	176.4	173.1	0	0	0	0	110.7	I94 I139 F155 I157 V163 I164 T169 T170 Y171 I176	I94-V167 HydrophobicContact CD1-CG2 3.97Å; I139-V167 HydrophobicContact CD1-CG2 3.74Å; I139-V167 HydrophobicContact CG1-CG2 4.09Å; F155-V167 HydrophobicContact CB-CG1 3.95Å; F155-V167 HydrophobicContact CD1-CG1 4.25Å; F155-V167 HydrophobicContact CD1-CG2 4.2Å; F155-V167 HydrophobicContact CD2-CG1 3.44Å; F155-V167 VanDerWaalsContact CD2-CG1 3.44Å; F155-V167 HydrophobicContact CE2-CG1 3.95Å; F155-V167 HydrophobicContact CG-CG1 3.61Å; F155-V167 HydrophobicContact CG-CG2 4.3Å; I157-V167 HydrophobicContact CD1-CB 4.09Å; I157-V167 HydrophobicContact CD1-CG1 4.41Å; I157-V167 HydrophobicContact CD1-CG2 3.69Å; V163-V167 HydrophobicContact CG1-CG2 4.44Å; V163-V167 WeakPolarHBondContact O-CG2 3.5Å; V163-V167 PolarHBondContact O-N 3.07Å; I164-V167 PolarHBondContact O-N 2.93Å; V167-T169 PolarHBondContact O-N 3.09Å; V167-T170 PolarHBondContact O-N 3.44Å; V167-Y171 WeakPolarHBondContact O-CA 3.35Å; V167-Y171 PolarHBondContact O-N 2.95Å; V167-I176 HydrophobicContact CB-CD1 4.12Å; V167-I176 HydrophobicContact CG1-CD1 3.9Å; V167-I176 HydrophobicContact CG1-CG1 3.94Å
168	G	90.3	Very high	86.7	Confident	33 Å²	33	48.2 Å²	48.2	34%	0.34	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-24.9	178.6	0	0	0	0	0	114	I164 H172	I164-G168 PolarHBondContact O-N 3.13Å; G168-H172 PolarHBondContact O-ND1 3.49Å
169	T	90.9	Very high	86.5	Confident	69 Å²	69	48.4 Å²	48.4	42%	0.423	26%	0.256	S	S	.	.	H	α-helix	trans	-82.1	-29.8	175	-51.3	0	0	0	0	112.5	S165 A166 V167 H172	S165-T169 WeakPolarHBondContact O-CB 3.49Å; S165-T169 PolarHBondContact O-N 2.77Å; S165-T169 PolarHBondContact O-OG1 3.45Å; A166-T169 PolarHBondContact O-N 3.47Å; V167-T169 PolarHBondContact O-N 3.09Å; T169-H172 PolarHBondContact O-CE1 3.43Å; T169-H172 PolarHBondContact O-NE2 3.16Å
170	T	91.2	Very high	86.3	Confident	24 Å²	24	46.5 Å²	46.5	15%	0.147	26%	0.255	C	S	.	.	H	α-helix	trans	-100	-27	-175	-51.4	0	0	0	0	113.4	I139 K143 A166 V167	I139-T170 HydrophobicContact CG2-CG2 3.78Å; K143-T170 HydrophobicContact CD-CG2 4.12Å; A166-T170 PolarHBondContact O-N 2.91Å; A166-T170 PolarHBondContact O-OG1 3.22Å; A166-T170 VanDerWaalsContact O-OG1 3.11Å; V167-T170 PolarHBondContact O-N 3.44Å
171	Y	92.3	Very high	85.8	Confident	16 Å²	16	49.9 Å²	49.9	6%	0.063	27%	0.267	C	S	.	.			trans	-128.2	66.9	-175.2	-72.4	-87.1	0	0	0	110.7	I139 F142 K143 T149 F155 V167 T173 A174	I139-Y171 HydrophobicContact CG2-CD2 3.76Å; I139-Y171 HydrophobicContact CG2-CE2 3.53Å; F142-Y171 HydrophobicContact CD1-CE2 4.46Å; F142-Y171 WeakPolarHBondContact CD1-OH 3.23Å; K143-Y171 WeakPolarHBondContact CB-OH 3.44Å; T149-Y171 WeakPolarHBondContact CB-OH 3.42Å; T149-Y171 VanDerWaalsContact OG1-CE1 3.27Å; T149-Y171 WeakPolarHBondContact OG1-CE1 3.49Å; T149-Y171 PolarHBondContact OG1-OH 3.29Å; F155-Y171 AromaticContact CE2-CD1 3.87Å; F155-Y171 HydrophobicContact CE2-CD1 3.87Å; F155-Y171 AromaticContact CE2-CD2 3.75Å; F155-Y171 HydrophobicContact CE2-CD2 3.75Å; F155-Y171 HydrophobicContact CE2-CE1 4.32Å; F155-Y171 HydrophobicContact CE2-CE2 4.23Å; F155-Y171 AromaticContact CE2-CG 3.57Å; F155-Y171 HydrophobicContact CE2-CG 3.57Å; F155-Y171 HydrophobicContact CZ-CD1 4.16Å; F155-Y171 AromaticContact CZ-CD2 3.65Å; F155-Y171 HydrophobicContact CZ-CD2 3.65Å; F155-Y171 HydrophobicContact CZ-CE1 4.19Å; F155-Y171 AromaticContact CZ-CE2 3.69Å; F155-Y171 HydrophobicContact CZ-CE2 3.69Å; F155-Y171 AromaticContact CZ-CG 3.91Å; F155-Y171 HydrophobicContact CZ-CG 3.91Å; F155-Y171 AromaticContact CZ-CZ 3.98Å; V167-Y171 WeakPolarHBondContact O-CA 3.35Å; V167-Y171 PolarHBondContact O-N 2.95Å; Y171-T173 PolarHBondContact O-N 2.91Å; Y171-T173 VanDerWaalsContact O-N 3.08Å; Y171-A174 PolarHBondContact O-N 3.22Å
172	H	88.5	Confident	85.2	Confident	157 Å²	157	43.4 Å²	43.4	73%	0.727	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.1	-174.3	-57.8	-54.3	0	0	0	115.3	G168 T169	G168-H172 PolarHBondContact O-ND1 3.49Å; T169-H172 PolarHBondContact O-CE1 3.43Å; T169-H172 PolarHBondContact O-NE2 3.16Å
173	T	87.4	Confident	84.1	Confident	120 Å²	120	42.6 Å²	42.6	74%	0.736	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-4.6	-179.2	61.7	0	0	0	0	113.2	Y171	Y171-T173 PolarHBondContact O-N 2.91Å; Y171-T173 VanDerWaalsContact O-N 3.08Å
174	A	89	Confident	83	Confident	12 Å²	12	47.8 Å²	47.8	10%	0.099	26%	0.258	C	S	.	.	S	Bend	trans	-87	137.8	-178.1	0	0	0	0	0	110.4	K153 F155 Y171	K153-A174 CarbonylContact O-C 3.6Å; K153-A174 WeakPolarHBondContact O-CA 3.48Å; F155-A174 HydrophobicContact CD2-CB 3.8Å; F155-A174 HydrophobicContact CE2-CB 3.94Å; Y171-A174 PolarHBondContact O-N 3.22Å
175	H	86.1	Confident	81.7	Confident	111 Å²	111	50 Å²	50	51%	0.514	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.9	172	-64.4	-72.2	0	0	0	110.2	K153 M154 F155 L263	K153-H175 PolarHBondContact O-N 2.95Å; M154-H175 CarbonylContact C-O 3.19Å; M154-H175 WeakPolarHBondContact CA-O 3.26Å; F155-H175 PolarHBondContact N-O 3.44Å; H175-L263 HydrophobicContact CB-CD2 4.24Å
176	I	86.7	Confident	80.1	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.072	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.8	172.9	-55.3	175.9	0	0	0	107.9	I157 I164 V167 L264	I157-I176 HydrophobicContact CD1-CG2 3.76Å; I157-I176 HydrophobicContact CG1-CG2 4.29Å; I164-I176 HydrophobicContact CG1-CG2 4.43Å; I164-I176 HydrophobicContact CG2-CD1 4.19Å; V167-I176 HydrophobicContact CB-CD1 4.12Å; V167-I176 HydrophobicContact CG1-CD1 3.9Å; V167-I176 HydrophobicContact CG1-CG1 3.94Å; I176-L264 HydrophobicContact CB-CB 4.44Å; I176-L264 HydrophobicContact CG2-CD1 4.05Å; I176-L264 PolarHBondContact O-N 3.2Å
177	V	82.6	Confident	78.4	Confident	21 Å²	21	49.7 Å²	49.7	13%	0.127	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.3	178.5	179.6	0	0	0	0	108.9	M154 F155 V156 I157 C179 R262 L263	M154-V177 HydrophobicContact CE-CG2 3.83Å; M154-V177 HydrophobicContact CG-CB 4.47Å; M154-V177 HydrophobicContact CG-CG2 3.95Å; M154-V177 HydrophobicContact SD-CB 4.3Å; M154-V177 HydrophobicContact SD-CG2 3.67Å; F155-V177 PolarHBondContact O-N 3.19Å; V156-V177 CarbonylContact C-O 3.52Å; V156-V177 VanDerWaalsContact CA-O 3.3Å; V156-V177 WeakPolarHBondContact CA-O 3.24Å; I157-V177 PolarHBondContact N-O 3.12Å; V177-C179 PolarHBondContact O-N 2.98Å; V177-R262 HydrophobicContact CG1-CB 3.78Å; V177-L263 HydrophobicContact CG2-CD2 3.62Å; V177-L263 HydrophobicContact CG2-CG 4.26Å
178	L	76.3	Confident	76.6	Confident	11 Å²	11	51.3 Å²	51.3	6%	0.058	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.3	173.8	-65.8	179.2	0	0	0	111.4	I157 Y159 I164 S180 V183 R262 L264	I157-L178 CarbonylContact O-C 3.54Å; I157-L178 WeakPolarHBondContact O-CA 2.97Å; Y159-L178 HydrophobicContact CD2-CD1 4.07Å; Y159-L178 HydrophobicContact CD2-CD2 3.9Å; I164-L178 HydrophobicContact CD1-CD2 4.21Å; L178-S180 PolarHBondContact O-N 3.44Å; L178-V183 HydrophobicContact CB-CG2 3.71Å; L178-V183 HydrophobicContact CD1-CG2 4.41Å; L178-R262 HydrophobicContact CB-CB 4.41Å; L178-R262 PolarHBondContact N-O 3.46Å; L178-R262 VanDerWaalsContact N-O 3.16Å; L178-R262 WeakPolarHBondContact O-CD 3.36Å; L178-L264 HydrophobicContact CD1-CD2 4.46Å; L178-L264 HydrophobicContact CD2-CD1 3.85Å; L178-L264 HydrophobicContact CG-CD1 4.1Å; L178-L264 HydrophobicContact CG-CG 4.25Å
179	C	78.8	Confident	75	Confident	24 Å²	24	55.4 Å²	55.4	16%	0.162	28%	0.277	C	S	.	.			trans	-57.4	125.6	-179.3	177.8	0	0	0	0	110.7	V156 I157 V177 F181 H182 V183	V156-C179 HydrophobicContact CG1-CB 3.89Å; I157-C179 WeakPolarHBondContact O-CB 3.29Å; I157-C179 PolarHBondContact O-N 3.42Å; V177-C179 PolarHBondContact O-N 2.98Å; C179-F181 VanDerWaalsContact C-N 3.28Å; C179-F181 PolarHBondContact O-N 3.43Å; C179-H182 HydrophobicContact CB-CB 4.13Å; C179-H182 PolarHBondContact O-N 3.33Å; C179-H182 PolarHBondContact SG-ND1 2.84Å; C179-V183 WeakPolarHBondContact O-CG2 3.37Å; C179-V183 PolarHBondContact O-N 3.49Å
180	S	72.7	Confident	73.2	Confident	49 Å²	49	53 Å²	53	34%	0.343	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-37.8	-173.1	60.9	0	0	0	0	113.8	L178 V183 R184	L178-S180 PolarHBondContact O-N 3.44Å; S180-V183 PolarHBondContact O-N 2.95Å; S180-R184 VanDerWaalsContact O-CB 3.29Å; S180-R184 WeakPolarHBondContact O-CB 3.41Å; S180-R184 VanDerWaalsContact O-CG 3.28Å; S180-R184 WeakPolarHBondContact O-CG 3.41Å; S180-R184 PolarHBondContact O-N 2.88Å
181	F	72.1	Confident	71.6	Confident	89 Å²	89	52.8 Å²	52.8	39%	0.39	26%	0.261	S	S	.	.	H	α-helix	trans	-62	-49.4	175.5	-174.5	-100.1	0	0	0	111.2	C179 V183 R184 R185 L216	C179-F181 VanDerWaalsContact C-N 3.28Å; C179-F181 PolarHBondContact O-N 3.43Å; F181-V183 VanDerWaalsContact C-N 3.31Å; F181-V183 PolarHBondContact O-N 3.28Å; F181-R184 PolarHBondContact O-N 3.39Å; F181-R185 VanDerWaalsContact O-CB 3.28Å; F181-R185 WeakPolarHBondContact O-CB 3.5Å; F181-R185 PolarHBondContact O-N 2.92Å; F181-R185 VanDerWaalsContact O-N 3.09Å; F181-L216 HydrophobicContact CE2-CD2 4.21Å; F181-L216 HydrophobicContact CZ-CD2 4.34Å
182	H	68.8	Low	69.8	Low	55 Å²	55	54 Å²	54	26%	0.255	27%	0.269	S	S	.	.	H	α-helix	trans	-70.3	-24	-179.6	-69.7	107.9	0	0	0	113.9	N95 D158 C179 P186	N95-H182 PolarHBondContact OD1-CE1 2.9Å; D158-H182 HydrophobicContact CB-CB 4.26Å; C179-H182 HydrophobicContact CB-CB 4.13Å; C179-H182 PolarHBondContact O-N 3.33Å; C179-H182 PolarHBondContact SG-ND1 2.84Å; H182-P186 WeakPolarHBondContact O-CD 3.28Å; H182-P186 VanDerWaalsContact O-CG 3.24Å; H182-P186 WeakPolarHBondContact O-CG 3.28Å
183	V	64.6	Low	68.2	Low	16 Å²	16	51.9 Å²	51.9	10%	0.097	26%	0.257	C	S	.	.	H	α-helix	trans	-81.5	-45.2	173.8	175.9	0	0	0	0	111.4	L178 C179 S180 F181 R185 P186 V258	L178-V183 HydrophobicContact CB-CG2 3.71Å; L178-V183 HydrophobicContact CD1-CG2 4.41Å; C179-V183 WeakPolarHBondContact O-CG2 3.37Å; C179-V183 PolarHBondContact O-N 3.49Å; S180-V183 PolarHBondContact O-N 2.95Å; F181-V183 VanDerWaalsContact C-N 3.31Å; F181-V183 PolarHBondContact O-N 3.28Å; V183-R185 PolarHBondContact O-N 3.4Å; V183-P186 WeakPolarHBondContact O-CD 3.47Å; V183-V258 HydrophobicContact CG1-CG1 3.36Å
184	R	63.6	Low	66.5	Low	112 Å²	112	50.2 Å²	50.2	42%	0.423	24%	0.238	S	C	.	.	H	α-helix	trans	-62.3	-44.4	-178.9	-79.9	176.8	168.3	176.8	-6.6	111.9	S180 F181 M187 C188 V255 I259	S180-R184 VanDerWaalsContact O-CB 3.29Å; S180-R184 WeakPolarHBondContact O-CB 3.41Å; S180-R184 VanDerWaalsContact O-CG 3.28Å; S180-R184 WeakPolarHBondContact O-CG 3.41Å; S180-R184 PolarHBondContact O-N 2.88Å; F181-R184 PolarHBondContact O-N 3.39Å; R184-M187 PolarHBondContact O-N 2.88Å; R184-C188 WeakPolarHBondContact O-CB 3.26Å; R184-C188 PolarHBondContact O-N 2.89Å; R184-C188 PolarHBondContact O-SG 3.08Å; R184-C188 VanDerWaalsContact O-SG 3.4Å; R184-V255 HydrophobicContact CG-CG1 3.88Å; R184-I259 VanDerWaalsContact CZ-CD1 3.42Å; R184-I259 VanDerWaalsContact NE-CD1 3.26Å
185	R	60.8	Low	64.7	Low	78 Å²	78	50.7 Å²	50.7	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-56	-54.7	-172.9	-170.6	179	-171.9	175.4	7.7	114	F181 V183 M187 C188 W189 D217 C218	F181-R185 VanDerWaalsContact O-CB 3.28Å; F181-R185 WeakPolarHBondContact O-CB 3.5Å; F181-R185 PolarHBondContact O-N 2.92Å; F181-R185 VanDerWaalsContact O-N 3.09Å; V183-R185 PolarHBondContact O-N 3.4Å; R185-M187 VanDerWaalsContact C-N 3.34Å; R185-M187 PolarHBondContact O-N 3.26Å; R185-C188 PolarHBondContact O-N 2.69Å; R185-W189 PolarHBondContact O-N 3.05Å; R185-D217 PolarHBondContact NE-O 3.49Å; R185-D217 PolarHBondContact NH2-O 3.29Å; R185-C218 PolarHBondContact NE-O 3.09Å
186	P	55.9	Low	62.9	Low	28 Å²	28	53.7 Å²	53.7	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-68.8	-27.6	176.8	21.8	-28.9	0	0	0	113.9	H182 V183 S190 L224	H182-P186 WeakPolarHBondContact O-CD 3.28Å; H182-P186 VanDerWaalsContact O-CG 3.24Å; H182-P186 WeakPolarHBondContact O-CG 3.28Å; V183-P186 WeakPolarHBondContact O-CD 3.47Å; P186-S190 WeakPolarHBondContact O-CB 3.44Å; P186-S190 PolarHBondContact O-N 3.28Å; P186-S190 PolarHBondContact O-OG 3.47Å; P186-L224 HydrophobicContact CB-CD1 4.39Å; P186-L224 HydrophobicContact CB-CD2 4.26Å; P186-L224 HydrophobicContact CB-CG 4.38Å; P186-L224 HydrophobicContact CG-CD2 4.1Å
187	M	55.4	Low	61.1	Low	5 Å²	5	59.4 Å²	59.4	3%	0.025	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-50.9	172.8	-74.8	-159.5	164	0	0	111.5	R184 R185 W189 S190 V191 L224 Y228 I232 V258	R184-M187 PolarHBondContact O-N 2.88Å; R185-M187 VanDerWaalsContact C-N 3.34Å; R185-M187 PolarHBondContact O-N 3.26Å; M187-W189 PolarHBondContact O-N 2.67Å; M187-S190 PolarHBondContact O-N 3.02Å; M187-S190 VanDerWaalsContact O-N 3.08Å; M187-V191 WeakPolarHBondContact O-CG2 3.25Å; M187-V191 PolarHBondContact O-N 3.14Å; M187-L224 HydrophobicContact CG-CD2 4.34Å; M187-Y228 HydrophobicContact CE-CD1 3.61Å; M187-Y228 HydrophobicContact CE-CD2 4.24Å; M187-Y228 HydrophobicContact CE-CE1 4.43Å; M187-Y228 HydrophobicContact CE-CG 3.52Å; M187-I232 HydrophobicContact CE-CD1 4.27Å; M187-I232 HydrophobicContact CG-CD1 4.23Å; M187-V258 HydrophobicContact CE-CB 4.16Å; M187-V258 HydrophobicContact CE-CG1 3.7Å; M187-V258 HydrophobicContact CE-CG2 3.54Å; M187-V258 HydrophobicContact SD-CB 4.13Å; M187-V258 HydrophobicContact SD-CG1 3.88Å; M187-V258 HydrophobicContact SD-CG2 3.84Å
188	C	55.4	Low	59.1	Low	33 Å²	33	61.7 Å²	61.7	22%	0.223	29%	0.288	C	S	.	.	H	α-helix	trans	-54.4	-42.2	174.9	-73.4	0	0	0	0	111.2	R184 R185 L192 L214	R184-C188 WeakPolarHBondContact O-CB 3.26Å; R184-C188 PolarHBondContact O-N 2.89Å; R184-C188 PolarHBondContact O-SG 3.08Å; R184-C188 VanDerWaalsContact O-SG 3.4Å; R185-C188 PolarHBondContact O-N 2.69Å; C188-L192 WeakPolarHBondContact O-CB 3.07Å; C188-L192 WeakPolarHBondContact O-CG 3.23Å; C188-L192 PolarHBondContact O-N 3.44Å; C188-L214 HydrophobicContact CB-CD2 3.57Å
189	W	55.3	Low	57.6	Low	119 Å²	119	63.9 Å²	63.9	45%	0.451	30%	0.302	S	S	.	.	H	α-helix	trans	-66.1	-41	176.4	-169.6	87	0	0	0	113.6	R185 M187 V191 L192 K193	R185-W189 PolarHBondContact O-N 3.05Å; M187-W189 PolarHBondContact O-N 2.67Å; W189-V191 VanDerWaalsContact C-N 3.31Å; W189-V191 PolarHBondContact O-N 3.27Å; W189-L192 WeakPolarHBondContact O-CB 3.07Å; W189-L192 PolarHBondContact O-N 2.89Å; W189-K193 HydrophobicContact CE3-CD 4.28Å; W189-K193 HydrophobicContact CH2-CD 3.29Å; W189-K193 HydrophobicContact CZ2-CD 3.69Å; W189-K193 HydrophobicContact CZ3-CD 3.59Å; W189-K193 WeakPolarHBondContact O-CB 3.3Å; W189-K193 PolarHBondContact O-N 3.32Å
190	S	55	Low	55.8	Low	20 Å²	20	74.3 Å²	74.3	14%	0.14	34%	0.338	C	S	.	.	H	α-helix	trans	-64.5	-39.5	179.8	-58.9	0	0	0	0	111.5	P186 M187 R194	P186-S190 WeakPolarHBondContact O-CB 3.44Å; P186-S190 PolarHBondContact O-N 3.28Å; P186-S190 PolarHBondContact O-OG 3.47Å; M187-S190 PolarHBondContact O-N 3.02Å; M187-S190 VanDerWaalsContact O-N 3.08Å; S190-R194 PolarHBondContact O-N 2.71Å
191	V	57.4	Low	54.3	Low	18 Å²	18	75.6 Å²	75.6	11%	0.109	36%	0.359	C	S	.	.	H	α-helix	trans	-66.5	-49.8	173.5	176.4	0	0	0	0	110.2	M187 W189 K193 R194 C195 T251	M187-V191 WeakPolarHBondContact O-CG2 3.25Å; M187-V191 PolarHBondContact O-N 3.14Å; W189-V191 VanDerWaalsContact C-N 3.31Å; W189-V191 PolarHBondContact O-N 3.27Å; V191-K193 VanDerWaalsContact C-N 3.33Å; V191-K193 PolarHBondContact O-N 3.45Å; V191-R194 PolarHBondContact O-N 3.48Å; V191-C195 PolarHBondContact O-N 3.29Å; V191-C195 PolarHBondContact O-SG 2.99Å; V191-T251 HydrophobicContact CG1-CG2 4.37Å; V191-T251 HydrophobicContact CG2-CG2 4.33Å
192	L	54.6	Low	52.6	Low	41 Å²	41	74.3 Å²	74.3	22%	0.215	37%	0.365	C	S	.	.	H	α-helix	trans	-52	-48	176	-91.1	171.6	0	0	0	113.4	C188 W189 R194 C195 R196 L214	C188-L192 WeakPolarHBondContact O-CB 3.07Å; C188-L192 WeakPolarHBondContact O-CG 3.23Å; C188-L192 PolarHBondContact O-N 3.44Å; W189-L192 WeakPolarHBondContact O-CB 3.07Å; W189-L192 PolarHBondContact O-N 2.89Å; L192-R194 VanDerWaalsContact C-N 3.29Å; L192-R194 PolarHBondContact O-N 2.88Å; L192-C195 PolarHBondContact O-N 3.45Å; L192-R196 WeakPolarHBondContact O-CB 3.31Å; L192-R196 PolarHBondContact O-N 2.86Å; L192-L214 HydrophobicContact CD1-CB 3.66Å; L192-L214 HydrophobicContact CD1-CD1 4.4Å; L192-L214 HydrophobicContact CD1-CD2 4.19Å; L192-L214 HydrophobicContact CD1-CG 4.27Å; L192-L214 HydrophobicContact CD2-CB 3.78Å; L192-L214 HydrophobicContact CD2-CD1 3.29Å; L192-L214 HydrophobicContact CD2-CG 4.01Å; L192-L214 HydrophobicContact CG-CB 3.82Å; L192-L214 HydrophobicContact CG-CD1 3.57Å; L192-L214 HydrophobicContact CG-CD2 3.92Å; L192-L214 HydrophobicContact CG-CG 3.94Å
193	K	54.7	Low	51	Low	113 Å²	113	84.1 Å²	84.1	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-66.4	-35.9	-175.5	-168.6	168.9	-178.4	179.9	0	111.3	W189 V191 L197	W189-K193 HydrophobicContact CE3-CD 4.28Å; W189-K193 HydrophobicContact CH2-CD 3.29Å; W189-K193 HydrophobicContact CZ2-CD 3.69Å; W189-K193 HydrophobicContact CZ3-CD 3.59Å; W189-K193 WeakPolarHBondContact O-CB 3.3Å; W189-K193 PolarHBondContact O-N 3.32Å; V191-K193 VanDerWaalsContact C-N 3.33Å; V191-K193 PolarHBondContact O-N 3.45Å; K193-L197 WeakPolarHBondContact O-CD1 3.49Å; K193-L197 WeakPolarHBondContact O-CG 3.38Å; K193-L197 PolarHBondContact O-N 3.37Å
194	R	50.9	Low	49.8	Very low	86 Å²	86	86.6 Å²	86.6	33%	0.325	43%	0.428	S	S	.	.	H	α-helix	trans	-75.3	-40.8	175.6	-83.1	169.5	162.6	-164.7	5.9	112.3	S190 V191 L192 R196 L197 L198 N233 T236	S190-R194 PolarHBondContact O-N 2.71Å; V191-R194 PolarHBondContact O-N 3.48Å; L192-R194 VanDerWaalsContact C-N 3.29Å; L192-R194 PolarHBondContact O-N 2.88Å; R194-R196 PolarHBondContact O-N 3.14Å; R194-L197 PolarHBondContact O-N 3.12Å; R194-L198 WeakPolarHBondContact O-CG 3.5Å; R194-L198 PolarHBondContact O-N 3.11Å; R194-N233 PolarHBondContact NH1-OD1 3.24Å; R194-N233 PolarHBondContact NH2-OD1 2.91Å; R194-T236 HydrophobicContact CB-CG2 4.27Å; R194-T236 VanDerWaalsContact CD-CG2 3.46Å; R194-T236 WeakPolarHBondContact CD-OG1 3.44Å; R194-T236 HydrophobicContact CG-CG2 4.13Å; R194-T236 PolarHBondContact NH1-OG1 3.35Å
195	C	50.6	Low	48.8	Very low	22 Å²	22	89 Å²	89	15%	0.149	45%	0.45	C	S	.	.	H	α-helix	trans	-61.1	-42.1	172.3	-66.1	0	0	0	0	111.7	V191 L192 L197 L198 T199	V191-C195 PolarHBondContact O-N 3.29Å; V191-C195 PolarHBondContact O-SG 2.99Å; L192-C195 PolarHBondContact O-N 3.45Å; C195-L197 VanDerWaalsContact C-N 3.31Å; C195-L197 PolarHBondContact O-N 3.18Å; C195-L198 PolarHBondContact O-N 3.22Å; C195-L198 VanDerWaalsContact O-N 3.17Å; C195-T199 WeakPolarHBondContact O-CG2 3.38Å; C195-T199 PolarHBondContact O-N 3.11Å; C195-T199 PolarHBondContact O-OG1 3.49Å
196	R	49	Very low	47.9	Very low	174 Å²	174	89.2 Å²	89.2	66%	0.657	46%	0.456	S	S	*	.	H	α-helix	trans	-61.3	-35.6	174.4	-92.8	-170.3	178.3	-159.8	1	113.6	L192 R194 L198 W200	L192-R196 WeakPolarHBondContact O-CB 3.31Å; L192-R196 PolarHBondContact O-N 2.86Å; R194-R196 PolarHBondContact O-N 3.14Å; R196-L198 VanDerWaalsContact C-N 3.34Å; R196-W200 PolarHBondContact O-N 3.5Å
197	L	48.3	Very low	47.2	Very low	134 Å²	134	89.7 Å²	89.7	70%	0.702	47%	0.466	S	S	*	.	H	α-helix	trans	-70.4	-32.4	176.1	-77	163.9	0	0	0	111.8	K193 R194 C195	K193-L197 WeakPolarHBondContact O-CD1 3.49Å; K193-L197 WeakPolarHBondContact O-CG 3.38Å; K193-L197 PolarHBondContact O-N 3.37Å; R194-L197 PolarHBondContact O-N 3.12Å; C195-L197 VanDerWaalsContact C-N 3.31Å; C195-L197 PolarHBondContact O-N 3.18Å
198	L	42.3	Very low	46.5	Very low	69 Å²	69	97.4 Å²	97.4	36%	0.361	50%	0.502	S	S	.	.	H	α-helix	trans	-80.5	-37.8	177.7	-69.7	164.7	0	0	0	112.6	R194 C195 R196 G201 L239 E240	R194-L198 WeakPolarHBondContact O-CG 3.5Å; R194-L198 PolarHBondContact O-N 3.11Å; C195-L198 PolarHBondContact O-N 3.22Å; C195-L198 VanDerWaalsContact O-N 3.17Å; R196-L198 VanDerWaalsContact C-N 3.34Å; L198-G201 PolarHBondContact O-N 3.46Å; L198-L239 HydrophobicContact CD1-CB 3.98Å; L198-L239 HydrophobicContact CD1-CD1 4.24Å; L198-E240 HydrophobicContact CD2-CG 4.44Å
199	T	44.1	Very low	45.7	Very low	56 Å²	56	101.7 Å²	101.7	34%	0.344	52%	0.523	S	S	.	.	H	α-helix	trans	-79.6	-16.4	-176.4	56.1	0	0	0	0	114.7	C195 G201 A202 L206	C195-T199 WeakPolarHBondContact O-CG2 3.38Å; C195-T199 PolarHBondContact O-N 3.11Å; C195-T199 PolarHBondContact O-OG1 3.49Å; T199-G201 PolarHBondContact O-N 2.86Å; T199-A202 CarbonylContact O-C 3.56Å; T199-A202 PolarHBondContact O-N 3.47Å; T199-L206 HydrophobicContact CG2-CD1 4.21Å
200	W	41.4	Very low	44.9	Very low	243 Å²	243	98.3 Å²	98.3	92%	0.92	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-17	166.7	-92.8	50.2	0	0	0	112.8	R196	R196-W200 PolarHBondContact O-N 3.5Å
201	G	41.2	Very low	44	Very low	76 Å²	76	100.8 Å²	100.8	78%	0.784	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-20.3	170.4	0	0	0	0	0	114.6	L198 T199	L198-G201 PolarHBondContact O-N 3.46Å; T199-G201 PolarHBondContact O-N 2.86Å
202	A	36.3	Very low	42.9	Very low	63 Å²	63	103.6 Å²	103.6	52%	0.521	55%	0.552	S	S	.	*	S	Bend	trans	-125.1	105.9	-174.1	0	0	0	0	0	111.1	T199 G204	T199-A202 CarbonylContact O-C 3.56Å; T199-A202 PolarHBondContact O-N 3.47Å; A202-G204 PolarHBondContact O-N 3.03Å
203	R	34.9	Very low	42	Very low	260 Å²	260	107.1 Å²	107.1	98%	0.981	57%	0.57	S	S	*	*			trans	-54.5	130.9	172.9	-76.8	-179.2	174.4	-168.8	-1.2	111.2
204	G	38.8	Very low	41.1	Very low	68 Å²	68	103.3 Å²	103.3	70%	0.701	56%	0.555	S	S	*	*	S	Bend	trans	93.8	130.5	152	0	0	0	0	0	116.4	A202	A202-G204 PolarHBondContact O-N 3.03Å
205	D	42.3	Very low	40	Very low	164 Å²	164	106.9 Å²	106.9	88%	0.877	57%	0.573	S	S	*	*			trans	77.2	24.5	154	-69	-8.7	0	0	0	122.4	G207	D205-G207 PolarHBondContact O-N 2.8Å
206	L	42.3	Very low	39.1	Very low	82 Å²	82	111.9 Å²	111.9	43%	0.429	60%	0.598	S	S	.	*			trans	-79.3	86.3	148.8	-104.1	96.7	0	0	0	109.3	T199 V210 A244	T199-L206 HydrophobicContact CG2-CD1 4.21Å; L206-V210 HydrophobicContact CD2-CB 4.47Å; L206-V210 HydrophobicContact CD2-CG1 4.26Å; L206-V210 HydrophobicContact CD2-CG2 4.24Å; L206-A244 HydrophobicContact CD1-CB 4.46Å
207	G	40.8	Very low	38	Very low	38 Å²	38	109.5 Å²	109.5	39%	0.392	60%	0.598	S	S	.	*			trans	-53	159.2	-174.9	0	0	0	0	0	115	D205 D209 V210	D205-G207 PolarHBondContact O-N 2.8Å; G207-D209 PolarHBondContact O-N 3.27Å; G207-V210 PolarHBondContact O-N 2.82Å; G207-V210 VanDerWaalsContact O-N 3.1Å
208	Q	41.3	Very low	37.3	Very low	167 Å²	167	106.6 Å²	106.6	78%	0.78	59%	0.588	S	S	*	*	H	α-helix	trans	-51.7	-17.8	-178.7	-67.8	-156.6	-15.7	0	0	114.7	V210 L211 A212	Q208-V210 PolarHBondContact O-N 3.04Å; Q208-L211 PolarHBondContact O-N 3.41Å; Q208-A212 WeakPolarHBondContact O-CB 3.31Å; Q208-A212 PolarHBondContact O-N 3.39Å
209	D	38.2	Very low	36.7	Very low	122 Å²	122	109.1 Å²	109.1	65%	0.652	61%	0.607	S	S	*	*	H	α-helix	trans	-66.9	-32.9	178.4	-58.4	-33.3	0	0	0	113.5	G207 L213	G207-D209 PolarHBondContact O-N 3.27Å; D209-L213 PolarHBondContact O-N 3.08Å
210	V	39.1	Very low	36.3	Very low	49 Å²	49	114 Å²	114	30%	0.297	63%	0.625	S	S	.	*	H	α-helix	trans	-73.4	-38.2	174.6	178.1	0	0	0	0	109.8	L206 G207 Q208 L214	L206-V210 HydrophobicContact CD2-CB 4.47Å; L206-V210 HydrophobicContact CD2-CG1 4.26Å; L206-V210 HydrophobicContact CD2-CG2 4.24Å; G207-V210 PolarHBondContact O-N 2.82Å; G207-V210 VanDerWaalsContact O-N 3.1Å; Q208-V210 PolarHBondContact O-N 3.04Å; V210-L214 HydrophobicContact CG1-CD1 3.51Å; V210-L214 WeakPolarHBondContact O-CB 3.34Å; V210-L214 WeakPolarHBondContact O-CD1 3Å; V210-L214 WeakPolarHBondContact O-CG 3.2Å
211	L	35.2	Very low	36.1	Very low	72 Å²	72	103.3 Å²	103.3	38%	0.377	59%	0.591	S	S	.	*	H	α-helix	trans	-65.1	-39.4	174.9	-85	152.3	0	0	0	112	Q208 L213 L214 F215	Q208-L211 PolarHBondContact O-N 3.41Å; L211-L213 VanDerWaalsContact C-N 3.35Å; L211-L213 PolarHBondContact O-N 2.99Å; L211-L214 CarbonylContact O-C 3.59Å; L211-L214 PolarHBondContact O-N 3.22Å; L211-F215 HydrophobicContact CB-CD2 4.35Å; L211-F215 HydrophobicContact CB-CE2 4.12Å; L211-F215 HydrophobicContact CD2-CD2 4.36Å; L211-F215 HydrophobicContact CD2-CE2 3.58Å; L211-F215 HydrophobicContact CD2-CZ 4.21Å; L211-F215 HydrophobicContact CG-CE2 4.45Å; L211-F215 WeakPolarHBondContact O-CD2 3.38Å; L211-F215 PolarHBondContact O-N 3.36Å; L211-F215 VanDerWaalsContact O-N 3.11Å
212	A	35	Very low	36	Very low	76 Å²	76	107.4 Å²	107.4	63%	0.628	60%	0.595	S	S	*	*	H	α-helix	trans	-65.2	-33.1	-179.9	0	0	0	0	0	113.6	Q208 L214	Q208-A212 WeakPolarHBondContact O-CB 3.31Å; Q208-A212 PolarHBondContact O-N 3.39Å; A212-L214 PolarHBondContact O-N 3.14Å
213	L	36.4	Very low	36.5	Very low	115 Å²	115	113.2 Å²	113.2	60%	0.602	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-11.3	172.8	-82.3	163.6	0	0	0	113.6	D209 L211	D209-L213 PolarHBondContact O-N 3.08Å; L211-L213 VanDerWaalsContact C-N 3.35Å; L211-L213 PolarHBondContact O-N 2.99Å
214	L	35.3	Very low	37	Very low	33 Å²	33	102.7 Å²	102.7	17%	0.173	57%	0.566	C	S	.	*	T	Hydrogen-bonded Turn	trans	-119.2	-6.5	-165.8	-67.4	169.1	0	0	0	114.1	C188 L192 V210 L211 A212 L216	C188-L214 HydrophobicContact CB-CD2 3.57Å; L192-L214 HydrophobicContact CD1-CB 3.66Å; L192-L214 HydrophobicContact CD1-CD1 4.4Å; L192-L214 HydrophobicContact CD1-CD2 4.19Å; L192-L214 HydrophobicContact CD1-CG 4.27Å; L192-L214 HydrophobicContact CD2-CB 3.78Å; L192-L214 HydrophobicContact CD2-CD1 3.29Å; L192-L214 HydrophobicContact CD2-CG 4.01Å; L192-L214 HydrophobicContact CG-CB 3.82Å; L192-L214 HydrophobicContact CG-CD1 3.57Å; L192-L214 HydrophobicContact CG-CD2 3.92Å; L192-L214 HydrophobicContact CG-CG 3.94Å; V210-L214 HydrophobicContact CG1-CD1 3.51Å; V210-L214 WeakPolarHBondContact O-CB 3.34Å; V210-L214 WeakPolarHBondContact O-CD1 3Å; V210-L214 WeakPolarHBondContact O-CG 3.2Å; L211-L214 CarbonylContact O-C 3.59Å; L211-L214 PolarHBondContact O-N 3.22Å; A212-L214 PolarHBondContact O-N 3.14Å; L214-L216 PolarHBondContact O-N 3.45Å
215	F	26.8	Very low	37.6	Very low	161 Å²	161	102.1 Å²	102.1	71%	0.706	55%	0.547	S	S	*	.			trans	-84.6	79.9	171.1	-86.1	-76.6	0	0	0	111.6	L211	L211-F215 HydrophobicContact CB-CD2 4.35Å; L211-F215 HydrophobicContact CB-CE2 4.12Å; L211-F215 HydrophobicContact CD2-CD2 4.36Å; L211-F215 HydrophobicContact CD2-CE2 3.58Å; L211-F215 HydrophobicContact CD2-CZ 4.21Å; L211-F215 HydrophobicContact CG-CE2 4.45Å; L211-F215 WeakPolarHBondContact O-CD2 3.38Å; L211-F215 PolarHBondContact O-N 3.36Å; L211-F215 VanDerWaalsContact O-N 3.11Å
216	L	31.2	Very low	38.1	Very low	127 Å²	127	98.9 Å²	98.9	67%	0.665	54%	0.535	S	S	*	.			trans	-135.6	122.5	154.4	-103.8	150.6	0	0	0	107.2	F181 L214	F181-L216 HydrophobicContact CE2-CD2 4.21Å; F181-L216 HydrophobicContact CZ-CD2 4.34Å; L214-L216 PolarHBondContact O-N 3.45Å
217	D	27.6	Very low	38.4	Very low	125 Å²	125	100.2 Å²	100.2	67%	0.668	54%	0.542	S	S	*	.			trans	-46.5	170.5	-160.6	-128.1	-28.5	0	0	0	117.4	R185	R185-D217 PolarHBondContact NE-O 3.49Å; R185-D217 PolarHBondContact NH2-O 3.29Å
218	C	33.4	Very low	38.9	Very low	72 Å²	72	99.8 Å²	99.8	49%	0.486	53%	0.529	S	S	.	.			trans	52.2	120.8	155.7	-56.1	0	0	0	0	125.6	R185	R185-C218 PolarHBondContact NE-O 3.09Å
219	T	29.8	Very low	39.5	Very low	123 Å²	123	99.8 Å²	99.8	76%	0.755	52%	0.522	S	S	*	.				46.7	129.4	128.8	62.6	0	0	0	0	123.6
220	E	35.6	Very low	40.4	Very low	157 Å²	157	98.2 Å²	98.2	73%	0.734	52%	0.517	S	S	*	.			trans	97.5	79.6	166.9	-59.9	-162.1	170.6	0	0	118.7
221	G	36.5	Very low	41.1	Very low	20 Å²	20	100.2 Å²	100.2	21%	0.206	52%	0.519	C	S	.	.			trans	-87.8	4	178	0	0	0	0	0	117.6
222	N	40	Very low	42	Very low	162 Å²	162	97.2 Å²	97.2	87%	0.866	50%	0.503	S	S	*	.	S	Bend	trans	-95.7	10.4	-166	-79.1	-15.9	0	0	0	116.5
223	R	45.4	Very low	43	Very low	185 Å²	185	97.1 Å²	97.1	70%	0.698	49%	0.492	S	S	*	.			trans	-120.1	22.7	-174.7	-67.1	-172.1	-179.3	177.9	5.8	116.1
224	L	46.9	Very low	44.1	Very low	38 Å²	38	95.6 Å²	95.6	20%	0.199	49%	0.488	C	S	.	.			trans	-73.9	137.9	178.7	-71.7	166.7	0	0	0	112	P186 M187 I232	P186-L224 HydrophobicContact CB-CD1 4.39Å; P186-L224 HydrophobicContact CB-CD2 4.26Å; P186-L224 HydrophobicContact CB-CG 4.38Å; P186-L224 HydrophobicContact CG-CD2 4.1Å; M187-L224 HydrophobicContact CG-CD2 4.34Å; L224-I232 HydrophobicContact CD1-CD1 3.75Å
225	N	50.2	Low	44.8	Very low	56 Å²	56	94.7 Å²	94.7	30%	0.299	48%	0.484	S	S	.	.			trans	-51.6	139.3	174.4	-176.2	-48.4	0	0	0	110.5	L227 Y228 R229	N225-L227 PolarHBondContact O-N 2.91Å; N225-L227 VanDerWaalsContact O-N 3.1Å; N225-L227 WeakPolarHBondContact OD1-CB 3.36Å; N225-L227 PolarHBondContact OD1-N 3.28Å; N225-Y228 HydrophobicContact CB-CD2 3.36Å; N225-Y228 HydrophobicContact CB-CE2 3.82Å; N225-Y228 HydrophobicContact CB-CG 4.14Å; N225-Y228 WeakPolarHBondContact O-CA 3.14Å; N225-Y228 WeakPolarHBondContact O-CB 3.43Å; N225-Y228 PolarHBondContact O-N 2.85Å; N225-R229 PolarHBondContact O-N 2.91Å
226	P	53.1	Low	45.9	Very low	96 Å²	96	88.1 Å²	88.1	62%	0.623	46%	0.457	S	S	*	.	H	α-helix	trans	-48.5	-38.7	177.2	-28.4	33.9	0	0	0	114	Y228 R229 T230	P226-Y228 PolarHBondContact O-N 3.28Å; P226-R229 WeakPolarHBondContact O-CB 3.48Å; P226-R229 PolarHBondContact O-N 3.33Å; P226-R229 VanDerWaalsContact O-N 3.13Å; P226-T230 PolarHBondContact O-N 2.98Å; P226-T230 PolarHBondContact O-OG1 3.26Å; P226-T230 VanDerWaalsContact O-OG1 3.07Å
227	L	48.6	Very low	47.1	Very low	111 Å²	111	84.5 Å²	84.5	58%	0.581	45%	0.45	S	S	*	.	H	α-helix	trans	-65.9	-38.5	-179.6	-140.6	144.7	0	0	0	111.8	N225 R231	N225-L227 PolarHBondContact O-N 2.91Å; N225-L227 VanDerWaalsContact O-N 3.1Å; N225-L227 WeakPolarHBondContact OD1-CB 3.36Å; N225-L227 PolarHBondContact OD1-N 3.28Å; L227-R231 PolarHBondContact O-N 3.02Å
228	Y	51.4	Low	48.3	Very low	28 Å²	28	81.5 Å²	81.5	11%	0.11	43%	0.433	C	S	.	.	H	α-helix	trans	-69.7	-35.9	171.8	-63.8	-40.1	0	0	0	112	M187 N225 P226 R231 I232 V258	M187-Y228 HydrophobicContact CE-CD1 3.61Å; M187-Y228 HydrophobicContact CE-CD2 4.24Å; M187-Y228 HydrophobicContact CE-CE1 4.43Å; M187-Y228 HydrophobicContact CE-CG 3.52Å; N225-Y228 HydrophobicContact CB-CD2 3.36Å; N225-Y228 HydrophobicContact CB-CE2 3.82Å; N225-Y228 HydrophobicContact CB-CG 4.14Å; N225-Y228 WeakPolarHBondContact O-CA 3.14Å; N225-Y228 WeakPolarHBondContact O-CB 3.43Å; N225-Y228 PolarHBondContact O-N 2.85Å; P226-Y228 PolarHBondContact O-N 3.28Å; Y228-R231 PolarHBondContact O-N 3.47Å; Y228-I232 WeakPolarHBondContact O-CB 3.38Å; Y228-I232 VanDerWaalsContact O-CG1 3.23Å; Y228-I232 WeakPolarHBondContact O-CG1 3.27Å; Y228-I232 PolarHBondContact O-N 3.44Å; Y228-V258 HydrophobicContact CD1-CB 4.41Å; Y228-V258 HydrophobicContact CD1-CG1 4.03Å; Y228-V258 HydrophobicContact CD1-CG2 3.65Å; Y228-V258 HydrophobicContact CE1-CB 3.98Å; Y228-V258 HydrophobicContact CE1-CG1 3.55Å; Y228-V258 HydrophobicContact CE1-CG2 3.62Å; Y228-V258 HydrophobicContact CE2-CG1 4.49Å
229	R	54.5	Low	49	Very low	168 Å²	168	79.3 Å²	79.3	63%	0.634	42%	0.417	S	S	*	.	H	α-helix	trans	-64.1	-45.4	177.4	-156.3	-177.1	-156.9	-161.1	6	111.8	N225 P226 R231 I232 N233	N225-R229 PolarHBondContact O-N 2.91Å; P226-R229 WeakPolarHBondContact O-CB 3.48Å; P226-R229 PolarHBondContact O-N 3.33Å; P226-R229 VanDerWaalsContact O-N 3.13Å; R229-R231 VanDerWaalsContact C-N 3.35Å; R229-R231 PolarHBondContact O-N 2.76Å; R229-I232 PolarHBondContact O-N 2.91Å; R229-N233 VanDerWaalsContact O-CG 3.29Å; R229-N233 PolarHBondContact O-N 3.07Å; R229-N233 PolarHBondContact O-ND2 3.41Å
230	T	57.1	Low	50.1	Low	88 Å²	88	80.9 Å²	80.9	54%	0.54	42%	0.416	S	S	.	.	H	α-helix	trans	-60.3	-45.6	177	-53.5	0	0	0	0	110.9	P226 N233 T234	P226-T230 PolarHBondContact O-N 2.98Å; P226-T230 PolarHBondContact O-OG1 3.26Å; P226-T230 VanDerWaalsContact O-OG1 3.07Å; T230-N233 WeakPolarHBondContact O-CA 3.32Å; T230-N233 WeakPolarHBondContact O-CB 3.41Å; T230-N233 PolarHBondContact O-N 2.65Å; T230-N233 VanDerWaalsContact O-N 3.16Å; T230-T234 PolarHBondContact O-N 2.89Å; T230-T234 PolarHBondContact O-OG1 3.37Å; T230-T234 VanDerWaalsContact O-OG1 3.09Å
231	R	54.4	Low	51	Low	91 Å²	91	79.3 Å²	79.3	34%	0.343	42%	0.416	S	S	.	.	H	α-helix	trans	-70.4	-36.7	-179.7	-75.4	177.7	166.3	-122.4	18.1	113.8	L227 Y228 R229 N233 T234 V235 L254 E257	L227-R231 PolarHBondContact O-N 3.02Å; Y228-R231 PolarHBondContact O-N 3.47Å; R229-R231 VanDerWaalsContact C-N 3.35Å; R229-R231 PolarHBondContact O-N 2.76Å; R231-N233 VanDerWaalsContact C-N 3.27Å; R231-N233 PolarHBondContact O-N 3.08Å; R231-T234 WeakPolarHBondContact O-CB 3.37Å; R231-T234 PolarHBondContact O-N 2.96Å; R231-V235 PolarHBondContact O-N 3.35Å; R231-L254 HydrophobicContact CB-CD1 3.82Å; R231-E257 IonicContact CZ-OE1 3.12Å; R231-E257 IonicContact CZ-OE2 3.75Å; R231-E257 IonicContact NH1-OE1 2.8Å; R231-E257 PolarHBondContact NH1-OE1 3.47Å; R231-E257 IonicContact NH1-OE2 2.68Å; R231-E257 PolarHBondContact NH1-OE2 2.74Å; R231-E257 IonicContact NH2-OE1 2.73Å; R231-E257 PolarHBondContact NH2-OE1 2.94Å
232	I	53.3	Low	51.9	Low	10 Å²	10	81.1 Å²	81.1	5%	0.051	42%	0.42	C	S	.	.	H	α-helix	trans	-59.7	-41.6	169.2	-71.4	166.7	0	0	0	110	M187 L224 Y228 R229 V235 T236 L254	M187-I232 HydrophobicContact CE-CD1 4.27Å; M187-I232 HydrophobicContact CG-CD1 4.23Å; L224-I232 HydrophobicContact CD1-CD1 3.75Å; Y228-I232 WeakPolarHBondContact O-CB 3.38Å; Y228-I232 VanDerWaalsContact O-CG1 3.23Å; Y228-I232 WeakPolarHBondContact O-CG1 3.27Å; Y228-I232 PolarHBondContact O-N 3.44Å; R229-I232 PolarHBondContact O-N 2.91Å; I232-V235 PolarHBondContact O-N 3.19Å; I232-T236 WeakPolarHBondContact O-CB 3.45Å; I232-T236 PolarHBondContact O-N 3.45Å; I232-T236 PolarHBondContact O-OG1 3.28Å; I232-L254 HydrophobicContact CG1-CD2 4.3Å
233	N	56.3	Low	52.7	Low	74 Å²	74	77.1 Å²	77.1	40%	0.396	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-40.5	175.2	-71.4	-25.3	0	0	0	112.4	R194 R229 T230 R231 T236 G237	R194-N233 PolarHBondContact NH1-OD1 3.24Å; R194-N233 PolarHBondContact NH2-OD1 2.91Å; R229-N233 VanDerWaalsContact O-CG 3.29Å; R229-N233 PolarHBondContact O-N 3.07Å; R229-N233 PolarHBondContact O-ND2 3.41Å; T230-N233 WeakPolarHBondContact O-CA 3.32Å; T230-N233 WeakPolarHBondContact O-CB 3.41Å; T230-N233 PolarHBondContact O-N 2.65Å; T230-N233 VanDerWaalsContact O-N 3.16Å; R231-N233 VanDerWaalsContact C-N 3.27Å; R231-N233 PolarHBondContact O-N 3.08Å; N233-T236 PolarHBondContact O-N 3.3Å; N233-G237 PolarHBondContact O-N 3.03Å
234	T	58.3	Low	53.1	Low	82 Å²	82	71 Å²	71	50%	0.503	39%	0.39	S	S	.	.	H	α-helix	trans	-60.9	-50	174.5	-52.7	0	0	0	0	111.7	T230 R231 T236 G237 L238	T230-T234 PolarHBondContact O-N 2.89Å; T230-T234 PolarHBondContact O-OG1 3.37Å; T230-T234 VanDerWaalsContact O-OG1 3.09Å; R231-T234 WeakPolarHBondContact O-CB 3.37Å; R231-T234 PolarHBondContact O-N 2.96Å; T234-T236 PolarHBondContact O-N 3.18Å; T234-G237 PolarHBondContact O-N 3.03Å; T234-L238 HydrophobicContact CG2-CD1 4.44Å; T234-L238 WeakPolarHBondContact O-CG 3.45Å; T234-L238 PolarHBondContact O-N 3.01Å
235	V	50.2	Low	53.5	Low	15 Å²	15	76.4 Å²	76.4	9%	0.091	42%	0.415	C	S	.	.	H	α-helix	trans	-62.2	-36.2	177.4	173.9	0	0	0	0	110.8	R231 I232 L238 L239 L254	R231-V235 PolarHBondContact O-N 3.35Å; I232-V235 PolarHBondContact O-N 3.19Å; V235-L238 PolarHBondContact O-N 2.63Å; V235-L239 WeakPolarHBondContact O-CG 3.43Å; V235-L239 PolarHBondContact O-N 3.11Å; V235-L254 HydrophobicContact CG2-CB 4.47Å; V235-L254 HydrophobicContact CG2-CD1 4.11Å; V235-L254 HydrophobicContact CG2-CD2 3.99Å; V235-L254 HydrophobicContact CG2-CG 4.4Å
236	T	51.4	Low	53.8	Low	23 Å²	23	77.7 Å²	77.7	14%	0.141	42%	0.422	C	S	.	.	H	α-helix	trans	-68.3	-40.8	177.5	-52.8	0	0	0	0	113.1	R194 I232 N233 T234 L238 L239	R194-T236 HydrophobicContact CB-CG2 4.27Å; R194-T236 VanDerWaalsContact CD-CG2 3.46Å; R194-T236 WeakPolarHBondContact CD-OG1 3.44Å; R194-T236 HydrophobicContact CG-CG2 4.13Å; R194-T236 PolarHBondContact NH1-OG1 3.35Å; I232-T236 WeakPolarHBondContact O-CB 3.45Å; I232-T236 PolarHBondContact O-N 3.45Å; I232-T236 PolarHBondContact O-OG1 3.28Å; N233-T236 PolarHBondContact O-N 3.3Å; T234-T236 PolarHBondContact O-N 3.18Å; T236-L238 PolarHBondContact O-N 2.87Å; T236-L239 HydrophobicContact CG2-CD1 4.38Å; T236-L239 WeakPolarHBondContact O-CB 3.32Å; T236-L239 PolarHBondContact O-N 3.37Å; T236-L239 VanDerWaalsContact O-N 3.12Å
237	G	55.3	Low	53.9	Low	50 Å²	50	74 Å²	74	52%	0.515	40%	0.398	S	S	.	.	H	α-helix	trans	-64.1	-24.1	177	0	0	0	0	0	112.7	N233 T234	N233-G237 PolarHBondContact O-N 3.03Å; T234-G237 PolarHBondContact O-N 3.03Å
238	L	52.3	Low	54.1	Low	62 Å²	62	74.8 Å²	74.8	33%	0.325	39%	0.393	S	S	.	.	H	α-helix	trans	-84.2	-19	176.1	-66.3	169.3	0	0	0	113.2	T234 V235 T236 E240 V241 M242 M250	T234-L238 HydrophobicContact CG2-CD1 4.44Å; T234-L238 WeakPolarHBondContact O-CG 3.45Å; T234-L238 PolarHBondContact O-N 3.01Å; V235-L238 PolarHBondContact O-N 2.63Å; T236-L238 PolarHBondContact O-N 2.87Å; L238-E240 PolarHBondContact O-N 2.69Å; L238-V241 WeakPolarHBondContact O-CG2 3.44Å; L238-V241 PolarHBondContact O-N 2.62Å; L238-M242 HydrophobicContact CB-SD 3.59Å; L238-M242 VanDerWaalsContact CB-SD 3.59Å; L238-M242 WeakPolarHBondContact O-CG 3.43Å; L238-M242 PolarHBondContact O-N 3.23Å; L238-M250 HydrophobicContact CD1-CE 3.75Å; L238-M250 HydrophobicContact CD1-SD 3.88Å
239	L	49.3	Very low	54.5	Low	27 Å²	27	74.9 Å²	74.9	14%	0.141	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.9	178.7	-72.5	172	0	0	0	113.7	L198 V235 T236 V241 T247	L198-L239 HydrophobicContact CD1-CB 3.98Å; L198-L239 HydrophobicContact CD1-CD1 4.24Å; V235-L239 WeakPolarHBondContact O-CG 3.43Å; V235-L239 PolarHBondContact O-N 3.11Å; T236-L239 HydrophobicContact CG2-CD1 4.38Å; T236-L239 WeakPolarHBondContact O-CB 3.32Å; T236-L239 PolarHBondContact O-N 3.37Å; T236-L239 VanDerWaalsContact O-N 3.12Å; L239-V241 PolarHBondContact O-N 3.43Å; L239-T247 HydrophobicContact CD2-CG2 3.17Å; L239-T247 WeakPolarHBondContact CD2-OG1 3.48Å
240	E	51.7	Low	54.8	Low	156 Å²	156	70.2 Å²	70.2	73%	0.729	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-13	178.6	-68	-177.2	172.1	0	0	113.3	L198 L238	L198-E240 HydrophobicContact CD2-CG 4.44Å; L238-E240 PolarHBondContact O-N 2.69Å
241	V	55.6	Low	54.7	Low	124 Å²	124	67.4 Å²	67.4	75%	0.752	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	4.5	-171.7	-80.8	0	0	0	0	114.3	L238 L239	L238-V241 WeakPolarHBondContact O-CG2 3.44Å; L238-V241 PolarHBondContact O-N 2.62Å; L239-V241 PolarHBondContact O-N 3.43Å
242	M	54.7	Low	54.9	Low	57 Å²	57	66.7 Å²	66.7	28%	0.281	37%	0.373	S	S	.	.			trans	-114.3	150.6	-172.4	-70.2	-178.3	76.5	0	0	113	L238 D246 M250	L238-M242 HydrophobicContact CB-SD 3.59Å; L238-M242 VanDerWaalsContact CB-SD 3.59Å; L238-M242 WeakPolarHBondContact O-CG 3.43Å; L238-M242 PolarHBondContact O-N 3.23Å; M242-D246 HydrophobicContact CB-CB 4.25Å; M242-D246 HydrophobicContact CE-CB 3.37Å; M242-M250 HydrophobicContact CE-CE 4.45Å; M242-M250 HydrophobicContact CE-CG 3.86Å; M242-M250 HydrophobicContact CE-SD 3.45Å; M242-M250 WeakPolarHBondContact CE-SD 3.49Å; M242-M250 HydrophobicContact SD-SD 3.62Å; M242-M250 VanDerWaalsContact SD-SD 3.62Å
243	T	58	Low	55.3	Low	79 Å²	79	70.9 Å²	70.9	49%	0.485	40%	0.396	S	S	.	.			trans	-69.6	162	173.8	73.6	0	0	0	0	110.8	E245 D246 T247	T243-E245 PolarHBondContact O-N 3.41Å; T243-D246 WeakPolarHBondContact CB-OD2 3.45Å; T243-D246 PolarHBondContact N-OD2 2.76Å; T243-D246 PolarHBondContact O-N 3.43Å; T243-D246 PolarHBondContact OG1-N 3.17Å; T243-D246 PolarHBondContact OG1-OD2 3.17Å; T243-T247 WeakPolarHBondContact O-CB 3.37Å; T243-T247 PolarHBondContact O-N 3.41Å; T243-T247 PolarHBondContact O-OG1 3.03Å
244	A	52.5	Low	55.4	Low	55 Å²	55	68.1 Å²	68.1	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-60	-31.2	177.4	0	0	0	0	0	112.5	L206 T247 R248	L206-A244 HydrophobicContact CD1-CB 4.46Å; A244-T247 WeakPolarHBondContact O-CB 3.09Å; A244-R248 WeakPolarHBondContact O-CB 3.26Å; A244-R248 PolarHBondContact O-N 3.32Å
245	E	54.9	Low	55.2	Low	153 Å²	153	65.2 Å²	65.2	72%	0.715	36%	0.363	S	S	*	.	H	α-helix	trans	-76.3	-42.1	-179.5	-148.4	167.2	-159.5	0	0	111.6	T243 T247 R248 G249	T243-E245 PolarHBondContact O-N 3.41Å; E245-T247 VanDerWaalsContact C-N 3.3Å; E245-T247 PolarHBondContact O-N 3.17Å; E245-R248 WeakPolarHBondContact O-CB 3.4Å; E245-R248 PolarHBondContact O-N 3.1Å; E245-G249 PolarHBondContact O-N 2.96Å
246	D	58.1	Low	55.5	Low	83 Å²	83	67 Å²	67	44%	0.444	37%	0.372	S	S	.	.	H	α-helix	trans	-64.4	-38.8	173.5	-57.8	-48.5	0	0	0	111.4	M242 T243 R248 G249 M250	M242-D246 HydrophobicContact CB-CB 4.25Å; M242-D246 HydrophobicContact CE-CB 3.37Å; T243-D246 WeakPolarHBondContact CB-OD2 3.45Å; T243-D246 PolarHBondContact N-OD2 2.76Å; T243-D246 PolarHBondContact O-N 3.43Å; T243-D246 PolarHBondContact OG1-N 3.17Å; T243-D246 PolarHBondContact OG1-OD2 3.17Å; D246-R248 VanDerWaalsContact C-N 3.33Å; D246-R248 PolarHBondContact O-N 3.26Å; D246-G249 PolarHBondContact O-N 3.32Å; D246-M250 WeakPolarHBondContact O-CB 3.42Å; D246-M250 PolarHBondContact O-N 3.19Å
247	T	53.6	Low	55.7	Low	19 Å²	19	68.8 Å²	68.8	12%	0.117	38%	0.379	C	S	.	.	H	α-helix	trans	-58.9	-44.4	173.1	-66.6	0	0	0	0	111.5	L239 T243 A244 E245 T251	L239-T247 HydrophobicContact CD2-CG2 3.17Å; L239-T247 WeakPolarHBondContact CD2-OG1 3.48Å; T243-T247 WeakPolarHBondContact O-CB 3.37Å; T243-T247 PolarHBondContact O-N 3.41Å; T243-T247 PolarHBondContact O-OG1 3.03Å; A244-T247 WeakPolarHBondContact O-CB 3.09Å; E245-T247 VanDerWaalsContact C-N 3.3Å; E245-T247 PolarHBondContact O-N 3.17Å; T247-T251 WeakPolarHBondContact O-CB 3.22Å; T247-T251 PolarHBondContact O-N 2.89Å; T247-T251 PolarHBondContact O-OG1 3.12Å
248	R	53.2	Low	55.6	Low	127 Å²	127	66.7 Å²	66.7	48%	0.479	36%	0.356	S	S	.	.	H	α-helix	trans	-64	-48	177.1	-177.7	-176.9	178.5	-170.7	1.3	110.8	A244 E245 D246 T251 I252	A244-R248 WeakPolarHBondContact O-CB 3.26Å; A244-R248 PolarHBondContact O-N 3.32Å; E245-R248 WeakPolarHBondContact O-CB 3.4Å; E245-R248 PolarHBondContact O-N 3.1Å; D246-R248 VanDerWaalsContact C-N 3.33Å; D246-R248 PolarHBondContact O-N 3.26Å; R248-T251 PolarHBondContact O-N 3.34Å; R248-I252 HydrophobicContact CG-CD1 3.89Å; R248-I252 VanDerWaalsContact O-CG1 3.3Å; R248-I252 WeakPolarHBondContact O-CG1 3.22Å; R248-I252 PolarHBondContact O-N 2.63Å
249	G	59.3	Low	55.6	Low	30 Å²	30	65.5 Å²	65.5	31%	0.309	35%	0.35	S	S	.	.	H	α-helix	trans	-59.6	-47.2	178.3	0	0	0	0	0	112.6	E245 D246 T251 I252 N253	E245-G249 PolarHBondContact O-N 2.96Å; D246-G249 PolarHBondContact O-N 3.32Å; G249-T251 PolarHBondContact O-N 3.49Å; G249-I252 PolarHBondContact O-N 3.44Å; G249-N253 WeakPolarHBondContact O-CB 3.37Å; G249-N253 VanDerWaalsContact O-CG 3.31Å; G249-N253 PolarHBondContact O-N 2.89Å; G249-N253 PolarHBondContact O-ND2 3.3Å
250	M	60.9	Low	56	Low	70 Å²	70	72 Å²	72	35%	0.345	37%	0.372	S	S	.	.	H	α-helix	trans	-63.5	-40.6	175.7	-80.8	-158.2	133.6	0	0	112.8	L238 M242 D246 N253 L254	L238-M250 HydrophobicContact CD1-CE 3.75Å; L238-M250 HydrophobicContact CD1-SD 3.88Å; M242-M250 HydrophobicContact CE-CE 4.45Å; M242-M250 HydrophobicContact CE-CG 3.86Å; M242-M250 HydrophobicContact CE-SD 3.45Å; M242-M250 WeakPolarHBondContact CE-SD 3.49Å; M242-M250 HydrophobicContact SD-SD 3.62Å; M242-M250 VanDerWaalsContact SD-SD 3.62Å; D246-M250 WeakPolarHBondContact O-CB 3.42Å; D246-M250 PolarHBondContact O-N 3.19Å; M250-N253 PolarHBondContact O-N 3.32Å; M250-L254 VanDerWaalsContact O-CB 3.26Å; M250-L254 WeakPolarHBondContact O-CB 3.37Å; M250-L254 PolarHBondContact O-N 2.86Å
251	T	54.8	Low	56.2	Low	28 Å²	28	69.1 Å²	69.1	17%	0.172	36%	0.362	C	S	.	.	H	α-helix	trans	-65.2	-43.3	178.1	-57.8	0	0	0	0	111	V191 T247 R248 G249 L254 V255	V191-T251 HydrophobicContact CG1-CG2 4.37Å; V191-T251 HydrophobicContact CG2-CG2 4.33Å; T247-T251 WeakPolarHBondContact O-CB 3.22Å; T247-T251 PolarHBondContact O-N 2.89Å; T247-T251 PolarHBondContact O-OG1 3.12Å; R248-T251 PolarHBondContact O-N 3.34Å; G249-T251 PolarHBondContact O-N 3.49Å; T251-L254 PolarHBondContact O-N 3.1Å; T251-V255 WeakPolarHBondContact O-CB 3.4Å; T251-V255 VanDerWaalsContact O-CG2 3.26Å; T251-V255 WeakPolarHBondContact O-CG2 3.48Å; T251-V255 PolarHBondContact O-N 2.88Å
252	I	58.9	Low	56.4	Low	76 Å²	76	64.3 Å²	64.3	39%	0.39	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-48.3	175.7	-69.6	168.7	0	0	0	110.3	R248 G249 L254 V255 D256	R248-I252 HydrophobicContact CG-CD1 3.89Å; R248-I252 VanDerWaalsContact O-CG1 3.3Å; R248-I252 WeakPolarHBondContact O-CG1 3.22Å; R248-I252 PolarHBondContact O-N 2.63Å; G249-I252 PolarHBondContact O-N 3.44Å; I252-L254 VanDerWaalsContact C-N 3.34Å; I252-L254 PolarHBondContact O-N 3.25Å; I252-V255 PolarHBondContact O-N 3.34Å; I252-D256 WeakPolarHBondContact O-CB 3.34Å; I252-D256 PolarHBondContact O-N 3.25Å
253	N	62	Low	56.2	Low	99 Å²	99	66.4 Å²	66.4	53%	0.529	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-41.8	178.9	-76.8	-26	0	0	0	112.2	G249 M250 D256 E257	G249-N253 WeakPolarHBondContact O-CB 3.37Å; G249-N253 VanDerWaalsContact O-CG 3.31Å; G249-N253 PolarHBondContact O-N 2.89Å; G249-N253 PolarHBondContact O-ND2 3.3Å; M250-N253 PolarHBondContact O-N 3.32Å; N253-D256 PolarHBondContact O-N 3.41Å; N253-E257 VanDerWaalsContact O-CB 3.29Å; N253-E257 WeakPolarHBondContact O-CB 3.45Å; N253-E257 PolarHBondContact O-N 2.84Å
254	L	59.3	Low	55.9	Low	15 Å²	15	64.9 Å²	64.9	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-63.3	-47	176.1	-170.6	80.3	0	0	0	110.5	R231 I232 V235 M250 T251 I252 E257 V258	R231-L254 HydrophobicContact CB-CD1 3.82Å; I232-L254 HydrophobicContact CG1-CD2 4.3Å; V235-L254 HydrophobicContact CG2-CB 4.47Å; V235-L254 HydrophobicContact CG2-CD1 4.11Å; V235-L254 HydrophobicContact CG2-CD2 3.99Å; V235-L254 HydrophobicContact CG2-CG 4.4Å; M250-L254 VanDerWaalsContact O-CB 3.26Å; M250-L254 WeakPolarHBondContact O-CB 3.37Å; M250-L254 PolarHBondContact O-N 2.86Å; T251-L254 PolarHBondContact O-N 3.1Å; I252-L254 VanDerWaalsContact C-N 3.34Å; I252-L254 PolarHBondContact O-N 3.25Å; L254-E257 PolarHBondContact O-N 3.48Å; L254-V258 HydrophobicContact CG-CG2 4.5Å; L254-V258 WeakPolarHBondContact O-CB 3.37Å; L254-V258 WeakPolarHBondContact O-CG2 3.49Å; L254-V258 PolarHBondContact O-N 3.45Å
255	V	53.2	Low	55.2	Low	21 Å²	21	71.6 Å²	71.6	13%	0.127	37%	0.369	C	S	.	.	H	α-helix	trans	-56.9	-55.5	175.2	168	0	0	0	0	108.7	R184 T251 I252 E257 V258 I259	R184-V255 HydrophobicContact CG-CG1 3.88Å; T251-V255 WeakPolarHBondContact O-CB 3.4Å; T251-V255 VanDerWaalsContact O-CG2 3.26Å; T251-V255 WeakPolarHBondContact O-CG2 3.48Å; T251-V255 PolarHBondContact O-N 2.88Å; I252-V255 PolarHBondContact O-N 3.34Å; V255-E257 VanDerWaalsContact C-N 3.32Å; V255-E257 PolarHBondContact O-N 3.39Å; V255-V258 CarbonylContact O-C 3.28Å; V255-V258 WeakPolarHBondContact O-CA 2.98Å; V255-V258 VanDerWaalsContact O-CB 3.31Å; V255-V258 WeakPolarHBondContact O-CB 3.41Å; V255-V258 PolarHBondContact O-N 3.19Å; V255-I259 HydrophobicContact CG1-CD1 4.01Å; V255-I259 HydrophobicContact CG1-CG1 4.15Å; V255-I259 WeakPolarHBondContact O-CG1 3.44Å; V255-I259 PolarHBondContact O-N 2.89Å
256	D	56.1	Low	55.3	Low	53 Å²	53	67.5 Å²	67.5	28%	0.283	35%	0.352	S	S	.	.	H	α-helix	trans	-61.9	-33.3	-177.7	-78.1	-11.1	0	0	0	114.2	I252 N253 I259 R260	I252-D256 WeakPolarHBondContact O-CB 3.34Å; I252-D256 PolarHBondContact O-N 3.25Å; N253-D256 PolarHBondContact O-N 3.41Å; D256-I259 WeakPolarHBondContact O-CB 3.4Å; D256-I259 PolarHBondContact O-N 3.3Å; D256-I259 WeakPolarHBondContact OD1-CD1 3.48Å; D256-R260 WeakPolarHBondContact O-CG 3.19Å; D256-R260 PolarHBondContact O-N 3.25Å; D256-R260 PolarHBondContact O-NE 2.99Å
257	E	57	Low	55.1	Low	60 Å²	60	66.7 Å²	66.7	28%	0.28	35%	0.347	S	S	.	.	H	α-helix	trans	-68.6	-42.8	172.3	-171.1	-178.1	170.3	0	0	111.6	R231 N253 L254 V255 I259 R260 N261	R231-E257 IonicContact CZ-OE1 3.12Å; R231-E257 IonicContact CZ-OE2 3.75Å; R231-E257 IonicContact NH1-OE1 2.8Å; R231-E257 PolarHBondContact NH1-OE1 3.47Å; R231-E257 IonicContact NH1-OE2 2.68Å; R231-E257 PolarHBondContact NH1-OE2 2.74Å; R231-E257 IonicContact NH2-OE1 2.73Å; R231-E257 PolarHBondContact NH2-OE1 2.94Å; N253-E257 VanDerWaalsContact O-CB 3.29Å; N253-E257 WeakPolarHBondContact O-CB 3.45Å; N253-E257 PolarHBondContact O-N 2.84Å; L254-E257 PolarHBondContact O-N 3.48Å; V255-E257 VanDerWaalsContact C-N 3.32Å; V255-E257 PolarHBondContact O-N 3.39Å; E257-I259 PolarHBondContact O-N 3.06Å; E257-R260 PolarHBondContact O-N 3.17Å; E257-R260 VanDerWaalsContact O-N 3.15Å; E257-N261 WeakPolarHBondContact O-CB 3.44Å; E257-N261 PolarHBondContact O-N 2.84Å; E257-N261 PolarHBondContact O-ND2 3.05Å
258	V	52.3	Low	55.2	Low	6 Å²	6	69.3 Å²	69.3	4%	0.036	36%	0.36	C	S	.	.	H	α-helix	trans	-62.1	-34.2	172.7	170.9	0	0	0	0	110.4	V183 M187 Y228 L254 V255 R262	V183-V258 HydrophobicContact CG1-CG1 3.36Å; M187-V258 HydrophobicContact CE-CB 4.16Å; M187-V258 HydrophobicContact CE-CG1 3.7Å; M187-V258 HydrophobicContact CE-CG2 3.54Å; M187-V258 HydrophobicContact SD-CB 4.13Å; M187-V258 HydrophobicContact SD-CG1 3.88Å; M187-V258 HydrophobicContact SD-CG2 3.84Å; Y228-V258 HydrophobicContact CD1-CB 4.41Å; Y228-V258 HydrophobicContact CD1-CG1 4.03Å; Y228-V258 HydrophobicContact CD1-CG2 3.65Å; Y228-V258 HydrophobicContact CE1-CB 3.98Å; Y228-V258 HydrophobicContact CE1-CG1 3.55Å; Y228-V258 HydrophobicContact CE1-CG2 3.62Å; Y228-V258 HydrophobicContact CE2-CG1 4.49Å; L254-V258 HydrophobicContact CG-CG2 4.5Å; L254-V258 WeakPolarHBondContact O-CB 3.37Å; L254-V258 WeakPolarHBondContact O-CG2 3.49Å; L254-V258 PolarHBondContact O-N 3.45Å; V255-V258 CarbonylContact O-C 3.28Å; V255-V258 WeakPolarHBondContact O-CA 2.98Å; V255-V258 VanDerWaalsContact O-CB 3.31Å; V255-V258 WeakPolarHBondContact O-CB 3.41Å; V255-V258 PolarHBondContact O-N 3.19Å; V258-R262 WeakPolarHBondContact O-CG 3.48Å
259	I	52.4	Low	55.3	Low	38 Å²	38	65.9 Å²	65.9	20%	0.195	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-45.9	173.3	-65.3	-173.1	0	0	0	111.8	R184 V255 D256 E257 N261 R262	R184-I259 VanDerWaalsContact CZ-CD1 3.42Å; R184-I259 VanDerWaalsContact NE-CD1 3.26Å; V255-I259 HydrophobicContact CG1-CD1 4.01Å; V255-I259 HydrophobicContact CG1-CG1 4.15Å; V255-I259 WeakPolarHBondContact O-CG1 3.44Å; V255-I259 PolarHBondContact O-N 2.89Å; D256-I259 WeakPolarHBondContact O-CB 3.4Å; D256-I259 PolarHBondContact O-N 3.3Å; D256-I259 WeakPolarHBondContact OD1-CD1 3.48Å; E257-I259 PolarHBondContact O-N 3.06Å; I259-N261 VanDerWaalsContact C-N 3.29Å; I259-R262 VanDerWaalsContact CA-NE 3.25Å; I259-R262 VanDerWaalsContact CD1-NH2 3.33Å; I259-R262 VanDerWaalsContact CG2-CZ 3.45Å; I259-R262 WeakPolarHBondContact O-CG 3.38Å; I259-R262 PolarHBondContact O-NE 3.3Å
260	R	56.6	Low	55.1	Low	162 Å²	162	68.2 Å²	68.2	61%	0.611	36%	0.356	S	S	*	.	H	α-helix	trans	-67.7	-33.1	-178.6	-75.9	-179.1	-73.7	-116	-0.5	111.6	D256 E257 R262	D256-R260 WeakPolarHBondContact O-CG 3.19Å; D256-R260 PolarHBondContact O-N 3.25Å; D256-R260 PolarHBondContact O-NE 2.99Å; E257-R260 PolarHBondContact O-N 3.17Å; E257-R260 VanDerWaalsContact O-N 3.15Å; R260-R262 PolarHBondContact O-N 3.39Å
261	N	57	Low	54.7	Low	96 Å²	96	68.1 Å²	68.1	51%	0.513	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	20.9	-176.9	-65.6	-36.8	0	0	0	114.5	E257 I259 L263	E257-N261 WeakPolarHBondContact O-CB 3.44Å; E257-N261 PolarHBondContact O-N 2.84Å; E257-N261 PolarHBondContact O-ND2 3.05Å; I259-N261 VanDerWaalsContact C-N 3.29Å; N261-L263 VanDerWaalsContact C-N 3.27Å; N261-L263 PolarHBondContact O-N 3.37Å
262	R	58.7	Low	54.7	Low	24 Å²	24	70.9 Å²	70.9	9%	0.091	37%	0.37	C	S	.	.			trans	-74.4	-11.4	-177.9	-68.7	-175.5	-116.1	-115.6	22.3	115.4	V177 L178 V258 I259 R260 L264	V177-R262 HydrophobicContact CG1-CB 3.78Å; L178-R262 HydrophobicContact CB-CB 4.41Å; L178-R262 PolarHBondContact N-O 3.46Å; L178-R262 VanDerWaalsContact N-O 3.16Å; L178-R262 WeakPolarHBondContact O-CD 3.36Å; V258-R262 WeakPolarHBondContact O-CG 3.48Å; I259-R262 VanDerWaalsContact CA-NE 3.25Å; I259-R262 VanDerWaalsContact CD1-NH2 3.33Å; I259-R262 VanDerWaalsContact CG2-CZ 3.45Å; I259-R262 WeakPolarHBondContact O-CG 3.38Å; I259-R262 PolarHBondContact O-NE 3.3Å; R260-R262 PolarHBondContact O-N 3.39Å; R262-L264 PolarHBondContact O-N 3.42Å
263	L	51.3	Low	54.3	Low	101 Å²	101	70.5 Å²	70.5	53%	0.529	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	118.9	178.8	-79.1	157.6	0	0	0	108.9	H175 V177 N261	H175-L263 HydrophobicContact CB-CD2 4.24Å; V177-L263 HydrophobicContact CG2-CD2 3.62Å; V177-L263 HydrophobicContact CG2-CG 4.26Å; N261-L263 VanDerWaalsContact C-N 3.27Å; N261-L263 PolarHBondContact O-N 3.37Å
264	L	51.3	Low	53.7	Low	47 Å²	47	68.2 Å²	68.2	25%	0.246	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	139.3	167.1	-65.2	174.5	0	0	0	108.4	I164 I176 L178 R262	I164-L264 HydrophobicContact CD1-CD1 3.86Å; I164-L264 HydrophobicContact CG1-CD1 4.31Å; I164-L264 HydrophobicContact CG2-CD1 4.2Å; I176-L264 HydrophobicContact CB-CB 4.44Å; I176-L264 HydrophobicContact CG2-CD1 4.05Å; I176-L264 PolarHBondContact O-N 3.2Å; L178-L264 HydrophobicContact CD1-CD2 4.46Å; L178-L264 HydrophobicContact CD2-CD1 3.85Å; L178-L264 HydrophobicContact CG-CD1 4.1Å; L178-L264 HydrophobicContact CG-CG 4.25Å; R262-L264 PolarHBondContact O-N 3.42Å
265	P	39.1	Very low	53.2	Low	195 Å²	195	73 Å²	73	100%	1.266	38%	0.38	S	S	*	.			trans	-64.2	0	172.5	27.9	-33.1	0	0	0	112.1

Retrieved 265 of 265 residues in 364.1 ms (Link to these results)

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