A0A3Q0KUH2_SCHMA Loading...

Ubiquitin-like domain-containing protein

AlphaFold DB (A0A5K4EYT7), UniProt , Accession A0A3Q0KUH2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 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	36.1	Very low	69.3	Low	248 Å²	248	80.8 Å²	80.8	100%	1.222	45%	0.454	S	S	*	.				0	107.4	0	-72.7	-170.2	168.8	0	0	107.2
2	S	41.6	Very low	70.8	Confident	104 Å²	104	75.8 Å²	75.8	73%	0.727	42%	0.423	S	S	*	.			trans	-84.9	120.8	176.9	-56.4	0	0	0	0	108.1	P4	S2-P4 WeakPolarHBondContact O-CD 3.42Å
3	D	46.6	Very low	71.3	Confident	109 Å²	109	73.1 Å²	73.1	58%	0.583	42%	0.423	S	S	*	.			trans	-60.5	120	-177	-129.9	-21.7	0	0	0	110.1	G5 R6	D3-G5 PolarHBondContact O-N 2.81Å; D3-R6 PolarHBondContact O-N 2.81Å; D3-R6 VanDerWaalsContact O-N 3.09Å
4	P	50.8	Low	71.9	Confident	114 Å²	114	72.9 Å²	72.9	74%	0.74	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-19.7	-175.2	-21.9	30.7	0	0	0	113.9	S2	S2-P4 WeakPolarHBondContact O-CD 3.42Å
5	G	56.4	Low	72.5	Confident	48 Å²	48	73.3 Å²	73.3	50%	0.495	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-1.8	-179.9	0	0	0	0	0	115.5	D3 P70	D3-G5 PolarHBondContact O-N 2.81Å; G5-P70 WeakPolarHBondContact O-CB 3.46Å; G5-P70 WeakPolarHBondContact O-CG 3.39Å
6	R	78	Confident	73.5	Confident	157 Å²	157	75.5 Å²	75.5	59%	0.592	45%	0.448	S	S	*	.	S	Bend	trans	-131.9	23.1	-170.8	-58.8	-162.5	169.4	155.6	-2.9	115.4	D3 L21 L23	D3-R6 PolarHBondContact O-N 2.81Å; D3-R6 VanDerWaalsContact O-N 3.09Å; R6-L21 PolarHBondContact O-N 3.41Å; R6-L23 HydrophobicContact CB-CD1 3.61Å; R6-L23 HydrophobicContact CG-CD1 3.35Å
7	S	88.1	Confident	74.4	Confident	19 Å²	19	75.1 Å²	75.1	13%	0.133	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	156.3	-177.7	56.3	0	0	0	0	113.2	V18 V19 G71	S7-V18 WeakPolarHBondContact OG-CG1 3.47Å; S7-V19 CarbonylContact C-O 3.51Å; S7-V19 VanDerWaalsContact CA-O 3.29Å; S7-V19 WeakPolarHBondContact CA-O 3.44Å; S7-V19 WeakPolarHBondContact CB-O 3.28Å; S7-G71 PolarHBondContact O-N 3.48Å
8	I	91	Very high	75.3	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.005	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	155.4	170.3	48.9	152.5	0	0	0	110.6	V10 V19 L21 L32 S72 V74	I8-V10 HydrophobicContact CD1-CG2 3.59Å; I8-V10 HydrophobicContact CG1-CG2 4.22Å; I8-V19 HydrophobicContact CD1-CB 4.4Å; I8-V19 HydrophobicContact CG1-CB 4.19Å; I8-V19 WeakPolarHBondContact CG1-O 3.47Å; I8-V19 PolarHBondContact N-O 3.25Å; I8-V19 PolarHBondContact O-N 3.11Å; I8-L21 HydrophobicContact CG1-CD1 4.44Å; I8-L21 HydrophobicContact CG2-CB 4.09Å; I8-L21 HydrophobicContact CG2-CD1 3.77Å; I8-L21 HydrophobicContact CG2-CD2 3.93Å; I8-L21 HydrophobicContact CG2-CG 4.14Å; I8-L32 HydrophobicContact CD1-CD1 3.47Å; I8-L32 VanDerWaalsContact CD1-CD1 3.47Å; I8-L32 HydrophobicContact CD1-CD2 4.31Å; I8-L32 HydrophobicContact CG1-CD1 4.38Å; I8-S72 WeakPolarHBondContact CB-O 3.33Å; I8-V74 HydrophobicContact CB-CG2 4.17Å; I8-V74 HydrophobicContact CD1-CG2 3.55Å; I8-V74 HydrophobicContact CG1-CG2 4.44Å
9	N	92	Very high	76.1	Confident	66 Å²	66	71.4 Å²	71.4	35%	0.353	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	110.3	174.2	-73.8	-57.6	0	0	0	109.4	S72 K73 V74	N9-S72 PolarHBondContact N-O 3.08Å; N9-K73 CarbonylContact O-C 3.53Å; N9-K73 VanDerWaalsContact O-CA 3.32Å; N9-K73 WeakPolarHBondContact O-CA 3.31Å; N9-V74 PolarHBondContact O-N 3.23Å
10	V	91.9	Very high	76.7	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123.9	179.2	168.7	0	0	0	0	109.8	I8 N16 Y17 V19 L40 V74 I76	I8-V10 HydrophobicContact CD1-CG2 3.59Å; I8-V10 HydrophobicContact CG1-CG2 4.22Å; V10-N16 CarbonylContact O-C 3.59Å; V10-N16 WeakPolarHBondContact O-CA 3.42Å; V10-Y17 PolarHBondContact N-O 2.92Å; V10-Y17 PolarHBondContact O-N 3.49Å; V10-V19 HydrophobicContact CB-CG2 3.95Å; V10-V19 HydrophobicContact CG2-CB 3.85Å; V10-V19 HydrophobicContact CG2-CG2 3.58Å; V10-L40 HydrophobicContact CG1-CD1 3.74Å; V10-V74 CarbonylContact C-O 3.59Å; V10-V74 WeakPolarHBondContact CA-O 3.35Å; V10-V74 HydrophobicContact CG2-CG2 4.39Å; V10-I76 HydrophobicContact CB-CD1 4.37Å; V10-I76 HydrophobicContact CG1-CB 4.12Å; V10-I76 HydrophobicContact CG1-CD1 3.41Å; V10-I76 VanDerWaalsContact CG1-CD1 3.41Å; V10-I76 HydrophobicContact CG1-CG1 3.66Å; V10-I76 HydrophobicContact CG2-CD1 4.01Å
11	V	90	Very high	77.1	Confident	23 Å²	23	68.3 Å²	68.3	14%	0.139	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.6	171.2	-172	0	0	0	0	108.8	Q15 N16 K73 V74 M75 I76	V11-Q15 CarbonylContact C-O 3.51Å; V11-Q15 VanDerWaalsContact CA-O 3.29Å; V11-Q15 WeakPolarHBondContact CA-O 3.43Å; V11-N16 WeakPolarHBondContact CG2-OD1 3.41Å; V11-K73 HydrophobicContact CG2-CD 4.36Å; V11-K73 HydrophobicContact CG2-CG 4.1Å; V11-V74 PolarHBondContact N-O 2.93Å; V11-M75 HydrophobicContact CB-CB 4.47Å; V11-M75 HydrophobicContact CB-CG 4.4Å; V11-M75 CarbonylContact O-C 3.57Å; V11-M75 WeakPolarHBondContact O-CA 3.31Å; V11-I76 PolarHBondContact O-N 3.03Å
12	F	86.8	Confident	79.3	Confident	20 Å²	20	57.9 Å²	57.9	9%	0.088	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.6	174.1	177.5	-104.7	0	0	0	109.7	G14 Q15 Y17 L40 I42 I76 G78 V80	F12-G14 PolarHBondContact O-N 3.38Å; F12-G14 VanDerWaalsContact O-N 3.1Å; F12-Q15 PolarHBondContact N-O 2.93Å; F12-Q15 PolarHBondContact O-N 3.19Å; F12-Y17 HydrophobicContact CB-CD2 4.11Å; F12-Y17 HydrophobicContact CB-CE2 3.97Å; F12-Y17 HydrophobicContact CD1-CE2 4.37Å; F12-L40 HydrophobicContact CB-CD1 3.81Å; F12-L40 HydrophobicContact CD1-CD2 4.36Å; F12-L40 HydrophobicContact CG-CD1 4.15Å; F12-I42 HydrophobicContact CD1-CD1 4.31Å; F12-I42 HydrophobicContact CD2-CD1 3.6Å; F12-I42 HydrophobicContact CE1-CD1 4.14Å; F12-I42 HydrophobicContact CE2-CD1 3.42Å; F12-I42 VanDerWaalsContact CE2-CD1 3.42Å; F12-I42 HydrophobicContact CG-CD1 4.07Å; F12-I42 HydrophobicContact CZ-CD1 3.72Å; F12-I42 HydrophobicContact CZ-CG1 4.46Å; F12-I76 HydrophobicContact CD2-CG2 4.43Å; F12-I76 WeakPolarHBondContact CD2-O 3.24Å; F12-G78 WeakPolarHBondContact CE2-O 3.33Å; F12-V80 HydrophobicContact CE1-CG2 3.51Å; F12-V80 HydrophobicContact CZ-CG2 3.54Å
13	G	77.8	Confident	80.8	Confident	41 Å²	41	57.2 Å²	57.2	42%	0.423	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	28.1	179	0	0	0	0	0	115.1	Q15	G13-Q15 VanDerWaalsContact C-N 3.31Å; G13-Q15 PolarHBondContact O-N 3.36Å
14	G	79.7	Confident	82.3	Confident	70 Å²	70	55.1 Å²	55.1	72%	0.722	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-1.5	-176.5	0	0	0	0	0	115.2	F12	F12-G14 PolarHBondContact O-N 3.38Å; F12-G14 VanDerWaalsContact O-N 3.1Å
15	Q	81.1	Confident	83.5	Confident	79 Å²	79	55 Å²	55	37%	0.369	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	151	175.5	-66.1	-175.5	36	0	0	111.5	V11 F12 G13 Y17	V11-Q15 CarbonylContact C-O 3.51Å; V11-Q15 VanDerWaalsContact CA-O 3.29Å; V11-Q15 WeakPolarHBondContact CA-O 3.43Å; F12-Q15 PolarHBondContact N-O 2.93Å; F12-Q15 PolarHBondContact O-N 3.19Å; G13-Q15 VanDerWaalsContact C-N 3.31Å; G13-Q15 PolarHBondContact O-N 3.36Å; Q15-Y17 HydrophobicContact CB-CD2 4.38Å; Q15-Y17 HydrophobicContact CB-CE2 3.6Å; Q15-Y17 PolarHBondContact OE1-OH 2.99Å
16	N	88.2	Confident	84.8	Confident	109 Å²	109	57.8 Å²	57.8	58%	0.583	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.8	174.6	-59.3	-66.7	0	0	0	109.6	V10 V11	V10-N16 CarbonylContact O-C 3.59Å; V10-N16 WeakPolarHBondContact O-CA 3.42Å; V11-N16 WeakPolarHBondContact CG2-OD1 3.41Å
17	Y	88.2	Confident	85.2	Confident	68 Å²	68	50.5 Å²	50.5	27%	0.267	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.8	176.3	-61.7	-90.8	0	0	0	109.1	V10 F12 Q15 L40	V10-Y17 PolarHBondContact N-O 2.92Å; V10-Y17 PolarHBondContact O-N 3.49Å; F12-Y17 HydrophobicContact CB-CD2 4.11Å; F12-Y17 HydrophobicContact CB-CE2 3.97Å; F12-Y17 HydrophobicContact CD1-CE2 4.37Å; Q15-Y17 HydrophobicContact CB-CD2 4.38Å; Q15-Y17 HydrophobicContact CB-CE2 3.6Å; Q15-Y17 PolarHBondContact OE1-OH 2.99Å; Y17-L40 HydrophobicContact CD1-CD2 3.59Å; Y17-L40 HydrophobicContact CD2-CD1 4.44Å; Y17-L40 HydrophobicContact CD2-CD2 3.67Å; Y17-L40 HydrophobicContact CE1-CD2 3.68Å; Y17-L40 HydrophobicContact CE2-CD2 3.73Å; Y17-L40 HydrophobicContact CG-CD2 3.58Å; Y17-L40 HydrophobicContact CG-CG 4.49Å
18	V	90.5	Very high	85.4	Confident	80 Å²	80	50.9 Å²	50.9	49%	0.485	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.1	175.5	-179	0	0	0	0	107.3	S7	S7-V18 WeakPolarHBondContact OG-CG1 3.47Å
19	V	90.5	Very high	85.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.2	179.8	177.7	0	0	0	0	108.9	S7 I8 V10 L21 S35 V36 V39	S7-V19 CarbonylContact C-O 3.51Å; S7-V19 VanDerWaalsContact CA-O 3.29Å; S7-V19 WeakPolarHBondContact CA-O 3.44Å; S7-V19 WeakPolarHBondContact CB-O 3.28Å; I8-V19 HydrophobicContact CD1-CB 4.4Å; I8-V19 HydrophobicContact CG1-CB 4.19Å; I8-V19 WeakPolarHBondContact CG1-O 3.47Å; I8-V19 PolarHBondContact N-O 3.25Å; I8-V19 PolarHBondContact O-N 3.11Å; V10-V19 HydrophobicContact CB-CG2 3.95Å; V10-V19 HydrophobicContact CG2-CB 3.85Å; V10-V19 HydrophobicContact CG2-CG2 3.58Å; V19-L21 PolarHBondContact O-N 3Å; V19-S35 WeakPolarHBondContact CG1-O 3.49Å; V19-V36 HydrophobicContact CG1-CG2 4.13Å; V19-V39 HydrophobicContact CG1-CG2 4.5Å; V19-V39 HydrophobicContact CG2-CB 4.13Å; V19-V39 HydrophobicContact CG2-CG1 4.11Å; V19-V39 HydrophobicContact CG2-CG2 4.29Å
20	P	88.2	Confident	85.3	Confident	69 Å²	69	49.7 Å²	49.7	45%	0.448	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	130.6	172.7	-21.5	32.4	0	0	0	110.6	P22 S35	P20-P22 WeakPolarHBondContact O-CD 3.31Å; P20-S35 WeakPolarHBondContact O-CB 3.42Å
21	L	86.4	Confident	85.3	Confident	10 Å²	10	52.1 Å²	52.1	5%	0.052	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-90.8	120.1	173.8	-173.2	65.1	0	0	0	108.5	R6 I8 V19 L23 L32 I63 P70	R6-L21 PolarHBondContact O-N 3.41Å; I8-L21 HydrophobicContact CG1-CD1 4.44Å; I8-L21 HydrophobicContact CG2-CB 4.09Å; I8-L21 HydrophobicContact CG2-CD1 3.77Å; I8-L21 HydrophobicContact CG2-CD2 3.93Å; I8-L21 HydrophobicContact CG2-CG 4.14Å; V19-L21 PolarHBondContact O-N 3Å; L21-L23 PolarHBondContact O-N 3.35Å; L21-L32 HydrophobicContact CD1-CD1 4.3Å; L21-I63 HydrophobicContact CD1-CD1 4.3Å; L21-I63 HydrophobicContact CD1-CG2 3.89Å; L21-P70 HydrophobicContact CD2-CG 4.18Å
22	P	81.8	Confident	85.3	Confident	28 Å²	28	51 Å²	51	18%	0.182	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-63	122.4	170.1	-15.4	28.4	0	0	0	109.2	P20 A27 D31 I63	P20-P22 WeakPolarHBondContact O-CD 3.31Å; P22-A27 HydrophobicContact CB-CB 3.84Å; P22-D31 HydrophobicContact CB-CB 4.11Å; P22-D31 HydrophobicContact CG-CB 3.87Å; P22-I63 HydrophobicContact CB-CD1 4.13Å; P22-I63 HydrophobicContact CG-CD1 4.04Å
23	L	72.7	Confident	85.6	Confident	90 Å²	90	50.8 Å²	50.8	47%	0.471	31%	0.313	S	S	.	.			trans	-108.6	6.3	-171.4	-84.2	153.1	0	0	0	113.5	R6 L21 P70	R6-L23 HydrophobicContact CB-CD1 3.61Å; R6-L23 HydrophobicContact CG-CD1 3.35Å; L21-L23 PolarHBondContact O-N 3.35Å; L23-P70 HydrophobicContact CD2-CG 4.04Å
24	S	78.4	Confident	86.2	Confident	65 Å²	65	54 Å²	54	46%	0.455	32%	0.315	S	S	.	.	S	Bend	trans	-67.4	145.7	174.3	66.8	0	0	0	0	109.5	D26 A27	S24-D26 WeakPolarHBondContact CB-OD1 3.41Å; S24-D26 PolarHBondContact O-N 2.9Å; S24-D26 VanDerWaalsContact O-N 3.15Å; S24-D26 PolarHBondContact OG-OD1 2.98Å; S24-A27 WeakPolarHBondContact O-CB 3.43Å; S24-A27 PolarHBondContact O-N 2.98Å; S24-A27 WeakPolarHBondContact OG-CB 3.36Å; S24-A27 PolarHBondContact OG-N 3.44Å
25	S	75.2	Confident	86.6	Confident	112 Å²	112	51.8 Å²	51.8	78%	0.783	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.2	-176	49.6	0	0	0	0	113.3
26	D	83.7	Confident	87	Confident	107 Å²	107	48 Å²	48	57%	0.572	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	6	176.5	58.3	-12.7	0	0	0	112.8	S24 T28	S24-D26 WeakPolarHBondContact CB-OD1 3.41Å; S24-D26 PolarHBondContact O-N 2.9Å; S24-D26 VanDerWaalsContact O-N 3.15Å; S24-D26 PolarHBondContact OG-OD1 2.98Å; D26-T28 PolarHBondContact O-N 3.34Å
27	A	87.6	Confident	87.1	Confident	3 Å²	3	45.3 Å²	45.3	3%	0.025	26%	0.257	C	S	.	.			trans	-61.5	124	180	0	0	0	0	0	111.1	P22 S24 L62 I63	P22-A27 HydrophobicContact CB-CB 3.84Å; S24-A27 WeakPolarHBondContact O-CB 3.43Å; S24-A27 PolarHBondContact O-N 2.98Å; S24-A27 WeakPolarHBondContact OG-CB 3.36Å; S24-A27 PolarHBondContact OG-N 3.44Å; A27-L62 WeakPolarHBondContact O-CA 3.24Å; A27-I63 HydrophobicContact CB-CD1 3.82Å; A27-I63 HydrophobicContact CB-CG1 4.35Å; A27-I63 WeakPolarHBondContact O-CG1 3.34Å; A27-I63 PolarHBondContact O-N 3.22Å
28	T	91.7	Very high	86.9	Confident	27 Å²	27	45.9 Å²	45.9	17%	0.166	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-96.3	163.2	-177.7	62.1	0	0	0	0	111.4	D26 L30 D31 L32 P59 A61 I63	D26-T28 PolarHBondContact O-N 3.34Å; T28-L30 PolarHBondContact O-N 2.86Å; T28-D31 PolarHBondContact N-OD2 3.03Å; T28-D31 PolarHBondContact O-N 3.49Å; T28-D31 VanDerWaalsContact OG1-CG 3.32Å; T28-D31 PolarHBondContact OG1-N 3.05Å; T28-D31 PolarHBondContact OG1-OD2 3.13Å; T28-L32 PolarHBondContact O-N 3.15Å; T28-P59 WeakPolarHBondContact CB-O 3.49Å; T28-A61 CarbonylContact C-O 3.57Å; T28-A61 WeakPolarHBondContact CA-O 3.5Å; T28-I63 WeakPolarHBondContact O-CD1 3.48Å; T28-I63 VanDerWaalsContact O-CG1 3.3Å; T28-I63 WeakPolarHBondContact O-CG1 3.42Å
29	L	90.7	Very high	86.6	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-56.9	-33.9	171.1	-174.6	67.5	0	0	0	110.8	D31 L32 M33 I49 L56 D58 P59 A61	L29-D31 VanDerWaalsContact C-N 3.32Å; L29-D31 PolarHBondContact O-N 3.46Å; L29-L32 HydrophobicContact CD1-CD2 4.21Å; L29-L32 CarbonylContact O-C 3.49Å; L29-L32 WeakPolarHBondContact O-CB 3.37Å; L29-L32 PolarHBondContact O-N 2.67Å; L29-L32 VanDerWaalsContact O-N 3.15Å; L29-M33 HydrophobicContact CG-CG 4.45Å; L29-M33 HydrophobicContact CG-SD 4.23Å; L29-M33 VanDerWaalsContact O-CG 3.28Å; L29-M33 WeakPolarHBondContact O-CG 3.41Å; L29-M33 PolarHBondContact O-N 3.33Å; L29-I49 HydrophobicContact CD1-CD1 3.81Å; L29-I49 HydrophobicContact CG-CD1 4.42Å; L29-L56 HydrophobicContact CD1-CB 3.9Å; L29-L56 HydrophobicContact CD1-CD1 3.85Å; L29-L56 HydrophobicContact CD2-CB 3.62Å; L29-L56 HydrophobicContact CG-CB 4.44Å; L29-D58 WeakPolarHBondContact CB-O 3.33Å; L29-D58 WeakPolarHBondContact CD2-O 3.48Å; L29-P59 PolarHBondContact N-O 3.27Å; L29-A61 PolarHBondContact N-O 3Å
30	L	90.9	Very high	86.3	Confident	42 Å²	42	45.3 Å²	45.3	22%	0.22	27%	0.267	C	S	.	.	H	α-helix	trans	-59.4	-40.1	174.8	-176	65	0	0	0	112.4	T28 L32 M33 K34 F44 P59	T28-L30 PolarHBondContact O-N 2.86Å; L30-L32 VanDerWaalsContact C-N 3.3Å; L30-L32 PolarHBondContact O-N 3.43Å; L30-M33 PolarHBondContact O-N 2.65Å; L30-K34 WeakPolarHBondContact O-CG 3.35Å; L30-K34 PolarHBondContact O-N 2.91Å; L30-F44 HydrophobicContact CD1-CD2 4.25Å; L30-F44 HydrophobicContact CD1-CG 4.39Å; L30-P59 HydrophobicContact CB-CB 4.06Å; L30-P59 WeakPolarHBondContact CB-O 3.49Å; L30-P59 HydrophobicContact CD1-CB 4.39Å; L30-P59 PolarHBondContact N-O 3.45Å
31	D	91.1	Very high	86	Confident	50 Å²	50	46.2 Å²	46.2	27%	0.267	27%	0.265	S	S	.	.	H	α-helix	trans	-66.4	-36.1	176.9	-59.7	-48.8	0	0	0	111.6	P22 T28 L29 K34 S35	P22-D31 HydrophobicContact CB-CB 4.11Å; P22-D31 HydrophobicContact CG-CB 3.87Å; T28-D31 PolarHBondContact N-OD2 3.03Å; T28-D31 PolarHBondContact O-N 3.49Å; T28-D31 VanDerWaalsContact OG1-CG 3.32Å; T28-D31 PolarHBondContact OG1-N 3.05Å; T28-D31 PolarHBondContact OG1-OD2 3.13Å; L29-D31 VanDerWaalsContact C-N 3.32Å; L29-D31 PolarHBondContact O-N 3.46Å; D31-K34 PolarHBondContact O-N 3.37Å; D31-K34 IonicContact OD1-NZ 2.65Å; D31-S35 PolarHBondContact O-N 3.48Å; D31-S35 PolarHBondContact O-OG 2.89Å
32	L	91.2	Very high	85.9	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-43.9	171	174.6	59.9	0	0	0	111.1	I8 L21 T28 L29 L30 K34 S35 V36 I49 I63 L68	I8-L32 HydrophobicContact CD1-CD1 3.47Å; I8-L32 VanDerWaalsContact CD1-CD1 3.47Å; I8-L32 HydrophobicContact CD1-CD2 4.31Å; I8-L32 HydrophobicContact CG1-CD1 4.38Å; L21-L32 HydrophobicContact CD1-CD1 4.3Å; T28-L32 PolarHBondContact O-N 3.15Å; L29-L32 HydrophobicContact CD1-CD2 4.21Å; L29-L32 CarbonylContact O-C 3.49Å; L29-L32 WeakPolarHBondContact O-CB 3.37Å; L29-L32 PolarHBondContact O-N 2.67Å; L29-L32 VanDerWaalsContact O-N 3.15Å; L30-L32 VanDerWaalsContact C-N 3.3Å; L30-L32 PolarHBondContact O-N 3.43Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 3.42Å; L32-S35 CarbonylContact O-C 3.55Å; L32-S35 WeakPolarHBondContact O-CA 3.43Å; L32-S35 WeakPolarHBondContact O-CB 3.5Å; L32-S35 PolarHBondContact O-N 3.19Å; L32-V36 HydrophobicContact CD1-CG2 4.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.43Å; L32-V36 PolarHBondContact O-N 3.25Å; L32-I49 HydrophobicContact CD2-CD1 4.07Å; L32-I49 HydrophobicContact CG-CD1 4.15Å; L32-I63 HydrophobicContact CB-CD1 3.83Å; L32-I63 HydrophobicContact CB-CG1 4.39Å; L32-L68 HydrophobicContact CD2-CD1 3.74Å
33	M	91.3	Very high	86	Confident	15 Å²	15	45.1 Å²	45.1	7%	0.074	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-38.5	177.5	-67.6	168.9	108.7	0	0	111.7	L29 L30 S35 V36 D37 F44 Q47 I49	L29-M33 HydrophobicContact CG-CG 4.45Å; L29-M33 HydrophobicContact CG-SD 4.23Å; L29-M33 VanDerWaalsContact O-CG 3.28Å; L29-M33 WeakPolarHBondContact O-CG 3.41Å; L29-M33 PolarHBondContact O-N 3.33Å; L30-M33 PolarHBondContact O-N 2.65Å; M33-S35 VanDerWaalsContact C-N 3.33Å; M33-S35 PolarHBondContact O-N 3.44Å; M33-V36 WeakPolarHBondContact O-CB 3.36Å; M33-V36 PolarHBondContact O-N 3.03Å; M33-D37 WeakPolarHBondContact O-CB 3.47Å; M33-D37 PolarHBondContact O-N 3.43Å; M33-F44 HydrophobicContact CB-CB 3.83Å; M33-F44 WeakPolarHBondContact CE-O 3.33Å; M33-Q47 VanDerWaalsContact CA-OE1 3.24Å; M33-Q47 HydrophobicContact CE-CB 3.86Å; M33-Q47 PolarHBondContact O-NE2 2.72Å; M33-Q47 PolarHBondContact O-OE1 3.07Å; M33-I49 HydrophobicContact CG-CD1 3.58Å
34	K	90.4	Very high	86.6	Confident	108 Å²	108	45.9 Å²	45.9	47%	0.47	26%	0.258	S	S	.	.	H	α-helix	trans	-63.8	-38.6	172.1	-71.4	171.5	-174.7	163.2	0	112.4	L30 D31 L32 V36 D37 S38	L30-K34 WeakPolarHBondContact O-CG 3.35Å; L30-K34 PolarHBondContact O-N 2.91Å; D31-K34 PolarHBondContact O-N 3.37Å; D31-K34 IonicContact OD1-NZ 2.65Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 3.42Å; K34-V36 VanDerWaalsContact C-N 3.3Å; K34-D37 PolarHBondContact O-N 3.41Å; K34-S38 PolarHBondContact O-N 3.35Å
35	S	89.7	Confident	86.8	Confident	23 Å²	23	48.1 Å²	48.1	16%	0.161	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-34.6	175.9	-56.2	0	0	0	0	111.5	V19 P20 D31 L32 M33 S38 V39	V19-S35 WeakPolarHBondContact CG1-O 3.49Å; P20-S35 WeakPolarHBondContact O-CB 3.42Å; D31-S35 PolarHBondContact O-N 3.48Å; D31-S35 PolarHBondContact O-OG 2.89Å; L32-S35 CarbonylContact O-C 3.55Å; L32-S35 WeakPolarHBondContact O-CA 3.43Å; L32-S35 WeakPolarHBondContact O-CB 3.5Å; L32-S35 PolarHBondContact O-N 3.19Å; M33-S35 VanDerWaalsContact C-N 3.33Å; M33-S35 PolarHBondContact O-N 3.44Å; S35-S38 PolarHBondContact O-OG 3.46Å; S35-V39 WeakPolarHBondContact O-CG2 3.48Å; S35-V39 PolarHBondContact O-N 2.96Å
36	V	89.6	Confident	87.2	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-44.4	172.6	168.1	0	0	0	0	110.7	V19 L32 M33 K34 S38 V39 L40 Q47 I76	V19-V36 HydrophobicContact CG1-CG2 4.13Å; L32-V36 HydrophobicContact CD1-CG2 4.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.43Å; L32-V36 PolarHBondContact O-N 3.25Å; M33-V36 WeakPolarHBondContact O-CB 3.36Å; M33-V36 PolarHBondContact O-N 3.03Å; K34-V36 VanDerWaalsContact C-N 3.3Å; V36-S38 VanDerWaalsContact C-N 3.33Å; V36-S38 PolarHBondContact O-N 3.09Å; V36-V39 PolarHBondContact O-N 3.11Å; V36-L40 HydrophobicContact CG1-CB 4.43Å; V36-L40 HydrophobicContact CG1-CD1 4.15Å; V36-L40 WeakPolarHBondContact O-CB 3.48Å; V36-L40 PolarHBondContact O-N 3.38Å; V36-Q47 VanDerWaalsContact CG1-CD 3.49Å; V36-Q47 HydrophobicContact CG1-CG 4.24Å; V36-I76 HydrophobicContact CB-CD1 3.97Å; V36-I76 HydrophobicContact CG1-CD1 3.43Å; V36-I76 VanDerWaalsContact CG1-CD1 3.43Å; V36-I76 HydrophobicContact CG1-CG2 4.32Å; V36-I76 HydrophobicContact CG2-CD1 3.25Å
37	D	88.8	Confident	87.5	Confident	53 Å²	53	42.6 Å²	42.6	28%	0.283	22%	0.222	S	C	.	.	H	α-helix	trans	-61.6	-41.3	178.9	-173.7	14.1	0	0	0	111.6	M33 K34 V39 H41 I42	M33-D37 WeakPolarHBondContact O-CB 3.47Å; M33-D37 PolarHBondContact O-N 3.43Å; K34-D37 PolarHBondContact O-N 3.41Å; D37-V39 PolarHBondContact O-N 3.15Å; D37-H41 WeakPolarHBondContact O-CA 3.34Å; D37-H41 PolarHBondContact O-N 3.37Å; D37-H41 PolarHBondContact O-ND1 3.2Å; D37-I42 WeakPolarHBondContact CA-O 3.4Å; D37-I42 VanDerWaalsContact CB-O 3.31Å; D37-I42 WeakPolarHBondContact CB-O 3.44Å
38	S	84.9	Confident	87.6	Confident	80 Å²	80	48.9 Å²	48.9	56%	0.559	25%	0.245	S	C	*	.	H	α-helix	trans	-64.3	-29.2	178.1	71.4	0	0	0	0	113.6	K34 S35 V36	K34-S38 PolarHBondContact O-N 3.35Å; S35-S38 PolarHBondContact O-OG 3.46Å; V36-S38 VanDerWaalsContact C-N 3.33Å; V36-S38 PolarHBondContact O-N 3.09Å
39	V	83.8	Confident	87.6	Confident	55 Å²	55	47.6 Å²	47.6	33%	0.333	24%	0.237	S	C	.	.	H	α-helix	trans	-95	-41.3	-178.2	177.6	0	0	0	0	112.7	V19 S35 V36 D37	V19-V39 HydrophobicContact CG1-CG2 4.5Å; V19-V39 HydrophobicContact CG2-CB 4.13Å; V19-V39 HydrophobicContact CG2-CG1 4.11Å; V19-V39 HydrophobicContact CG2-CG2 4.29Å; S35-V39 WeakPolarHBondContact O-CG2 3.48Å; S35-V39 PolarHBondContact O-N 2.96Å; V36-V39 PolarHBondContact O-N 3.11Å; D37-V39 PolarHBondContact O-N 3.15Å
40	L	83.5	Confident	87.7	Confident	13 Å²	13	48.9 Å²	48.9	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-107.7	-8.5	-172.2	-69.8	179.1	0	0	0	113.9	V10 F12 Y17 V36 I42	V10-L40 HydrophobicContact CG1-CD1 3.74Å; F12-L40 HydrophobicContact CB-CD1 3.81Å; F12-L40 HydrophobicContact CD1-CD2 4.36Å; F12-L40 HydrophobicContact CG-CD1 4.15Å; Y17-L40 HydrophobicContact CD1-CD2 3.59Å; Y17-L40 HydrophobicContact CD2-CD1 4.44Å; Y17-L40 HydrophobicContact CD2-CD2 3.67Å; Y17-L40 HydrophobicContact CE1-CD2 3.68Å; Y17-L40 HydrophobicContact CE2-CD2 3.73Å; Y17-L40 HydrophobicContact CG-CD2 3.58Å; Y17-L40 HydrophobicContact CG-CG 4.49Å; V36-L40 HydrophobicContact CG1-CB 4.43Å; V36-L40 HydrophobicContact CG1-CD1 4.15Å; V36-L40 WeakPolarHBondContact O-CB 3.48Å; V36-L40 PolarHBondContact O-N 3.38Å; L40-I42 HydrophobicContact CB-CD1 3.89Å; L40-I42 HydrophobicContact CB-CG1 3.94Å; L40-I42 HydrophobicContact CD1-CD1 4.18Å; L40-I42 PolarHBondContact O-N 3.37Å
41	H	82.9	Confident	87.8	Confident	88 Å²	88	47.7 Å²	47.7	41%	0.407	24%	0.236	S	C	.	.			trans	54	37.7	-177.3	-54.7	-43.1	0	0	0	113.3	D37 V80 E81 K82	D37-H41 WeakPolarHBondContact O-CA 3.34Å; D37-H41 PolarHBondContact O-N 3.37Å; D37-H41 PolarHBondContact O-ND1 3.2Å; H41-V80 HydrophobicContact CB-CG1 4.24Å; H41-E81 PolarHBondContact O-N 2.99Å; H41-E81 VanDerWaalsContact O-N 3.13Å; H41-K82 HydrophobicContact CB-CB 4.39Å
42	I	83.5	Confident	87.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.257	C	S	.	.			trans	-101.6	116	172.1	-53.9	171.6	0	0	0	105.8	F12 D37 L40 Q47 I76 V80	F12-I42 HydrophobicContact CD1-CD1 4.31Å; F12-I42 HydrophobicContact CD2-CD1 3.6Å; F12-I42 HydrophobicContact CE1-CD1 4.14Å; F12-I42 HydrophobicContact CE2-CD1 3.42Å; F12-I42 VanDerWaalsContact CE2-CD1 3.42Å; F12-I42 HydrophobicContact CG-CD1 4.07Å; F12-I42 HydrophobicContact CZ-CD1 3.72Å; F12-I42 HydrophobicContact CZ-CG1 4.46Å; D37-I42 WeakPolarHBondContact CA-O 3.4Å; D37-I42 VanDerWaalsContact CB-O 3.31Å; D37-I42 WeakPolarHBondContact CB-O 3.44Å; L40-I42 HydrophobicContact CB-CD1 3.89Å; L40-I42 HydrophobicContact CB-CG1 3.94Å; L40-I42 HydrophobicContact CD1-CD1 4.18Å; L40-I42 PolarHBondContact O-N 3.37Å; I42-Q47 HydrophobicContact CB-CG 3.86Å; I42-Q47 HydrophobicContact CG2-CB 4.44Å; I42-Q47 HydrophobicContact CG2-CG 3.42Å; I42-Q47 VanDerWaalsContact CG2-CG 3.42Å; I42-Q47 PolarHBondContact O-NE2 3.28Å; I42-I76 HydrophobicContact CD1-CG2 4.12Å; I42-V80 HydrophobicContact CD1-CG2 4.28Å; I42-V80 HydrophobicContact CG1-CB 4.49Å; I42-V80 HydrophobicContact CG1-CG2 3.73Å
43	P	84	Confident	87.6	Confident	14 Å²	14	56.6 Å²	56.6	9%	0.091	29%	0.294	C	S	.	.			trans	-57.1	141.4	174	-24.9	33.3	0	0	0	111.9	D45 K46 Q47 E81	P43-D45 WeakPolarHBondContact CB-OD1 3.36Å; P43-D45 PolarHBondContact O-N 3.08Å; P43-K46 HydrophobicContact CG-CD 4.43Å; P43-K46 CarbonylContact O-C 3.6Å; P43-K46 WeakPolarHBondContact O-CA 3.29Å; P43-K46 PolarHBondContact O-N 3.07Å; P43-Q47 WeakPolarHBondContact O-CG 3.39Å; P43-Q47 PolarHBondContact O-N 3.03Å; P43-E81 HydrophobicContact CG-CB 4.22Å; P43-E81 HydrophobicContact CG-CG 3.52Å; P43-E81 WeakPolarHBondContact CG-OE2 3.29Å
44	F	85.4	Confident	87.5	Confident	106 Å²	106	65.2 Å²	65.2	47%	0.465	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-59.5	-30.2	-176.1	60.7	-92.1	0	0	0	113.8	L30 M33 K46 Q47	L30-F44 HydrophobicContact CD1-CD2 4.25Å; L30-F44 HydrophobicContact CD1-CG 4.39Å; M33-F44 HydrophobicContact CB-CB 3.83Å; M33-F44 WeakPolarHBondContact CE-O 3.33Å; F44-K46 PolarHBondContact O-N 3.2Å; F44-Q47 PolarHBondContact O-N 2.71Å
45	D	83.6	Confident	87.5	Confident	112 Å²	112	61.9 Å²	61.9	60%	0.599	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-69.3	-21.4	175	65	-51.2	0	0	0	113.1	P43	P43-D45 WeakPolarHBondContact CB-OD1 3.36Å; P43-D45 PolarHBondContact O-N 3.08Å
46	K	83.7	Confident	87.6	Confident	89 Å²	89	62 Å²	62	39%	0.387	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-104.6	5.6	177.7	-62.9	178.8	-174.5	167.7	0	112.7	P43 F44 G78 E81	P43-K46 HydrophobicContact CG-CD 4.43Å; P43-K46 CarbonylContact O-C 3.6Å; P43-K46 WeakPolarHBondContact O-CA 3.29Å; P43-K46 PolarHBondContact O-N 3.07Å; F44-K46 PolarHBondContact O-N 3.2Å; K46-G78 WeakPolarHBondContact O-CA 3.2Å; K46-E81 IonicContact NZ-OE1 3.35Å; K46-E81 PolarHBondContact NZ-OE1 3.48Å
47	Q	88.9	Confident	87.4	Confident	15 Å²	15	67.5 Å²	67.5	7%	0.07	35%	0.348	C	S	.	.			trans	-93	135.2	176.8	-73.1	176.3	40.9	0	0	111.4	M33 V36 I42 P43 F44 L77	M33-Q47 VanDerWaalsContact CA-OE1 3.24Å; M33-Q47 HydrophobicContact CE-CB 3.86Å; M33-Q47 PolarHBondContact O-NE2 2.72Å; M33-Q47 PolarHBondContact O-OE1 3.07Å; V36-Q47 VanDerWaalsContact CG1-CD 3.49Å; V36-Q47 HydrophobicContact CG1-CG 4.24Å; I42-Q47 HydrophobicContact CB-CG 3.86Å; I42-Q47 HydrophobicContact CG2-CB 4.44Å; I42-Q47 HydrophobicContact CG2-CG 3.42Å; I42-Q47 VanDerWaalsContact CG2-CG 3.42Å; I42-Q47 PolarHBondContact O-NE2 3.28Å; P43-Q47 WeakPolarHBondContact O-CG 3.39Å; P43-Q47 PolarHBondContact O-N 3.03Å; F44-Q47 PolarHBondContact O-N 2.71Å; Q47-L77 CarbonylContact C-O 3.58Å
48	R	89.7	Confident	87.4	Confident	134 Å²	134	69 Å²	69	51%	0.506	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	109.1	166.5	179.4	179.8	178.9	-174.4	4.1	109	I50 S55 L77	R48-I50 HydrophobicContact CG-CG1 4.38Å; R48-S55 PolarHBondContact NE-OG 3.06Å; R48-S55 PolarHBondContact NH2-OG 3.44Å; R48-L77 HydrophobicContact CB-CB 4.27Å; R48-L77 PolarHBondContact N-O 3.05Å; R48-L77 PolarHBondContact O-N 3.01Å
49	I	91.6	Very high	87.4	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.5	180	-59.2	174.6	0	0	0	109	L29 L32 M33 S55 L56 V74 I76	L29-I49 HydrophobicContact CD1-CD1 3.81Å; L29-I49 HydrophobicContact CG-CD1 4.42Å; L32-I49 HydrophobicContact CD2-CD1 4.07Å; L32-I49 HydrophobicContact CG-CD1 4.15Å; M33-I49 HydrophobicContact CG-CD1 3.58Å; I49-S55 CarbonylContact O-C 3.48Å; I49-S55 WeakPolarHBondContact O-CA 3.31Å; I49-L56 HydrophobicContact CB-CB 4.34Å; I49-L56 HydrophobicContact CG2-CB 4.49Å; I49-L56 HydrophobicContact CG2-CD1 3.92Å; I49-L56 HydrophobicContact CG2-CG 4.41Å; I49-L56 PolarHBondContact O-N 3.34Å; I49-V74 HydrophobicContact CG2-CB 4.47Å; I49-V74 HydrophobicContact CG2-CG1 3.58Å; I49-I76 HydrophobicContact CG1-CD1 4.31Å; I49-I76 HydrophobicContact CG1-CG1 4.24Å
50	I	92.4	Very high	87.6	Confident	27 Å²	27	70.9 Å²	70.9	14%	0.138	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.9	-179.7	-58.4	174.8	0	0	0	109.1	R48 R54 V74 M75 L77	R48-I50 HydrophobicContact CG-CG1 4.38Å; I50-R54 CarbonylContact C-O 3.58Å; I50-R54 VanDerWaalsContact CA-O 3.29Å; I50-R54 WeakPolarHBondContact CA-O 3.28Å; I50-V74 WeakPolarHBondContact O-CG1 3.5Å; I50-M75 HydrophobicContact CB-CB 4.3Å; I50-M75 HydrophobicContact CB-CE 4.44Å; I50-M75 HydrophobicContact CD1-CE 3.72Å; I50-M75 HydrophobicContact CG2-CE 4.47Å; I50-M75 PolarHBondContact N-O 3.01Å; I50-M75 PolarHBondContact O-N 3.05Å; I50-L77 HydrophobicContact CD1-CD1 3.59Å; I50-L77 HydrophobicContact CD1-CG 4.09Å
51	Y	93	Very high	87.9	Confident	18 Å²	18	71.3 Å²	71.3	7%	0.071	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.7	178.2	-177.7	-121.5	0	0	0	110.3	G53 R54 S66 G67 L68 S72 K73 V74	Y51-G53 PolarHBondContact O-N 2.86Å; Y51-G53 VanDerWaalsContact O-N 3.14Å; Y51-R54 PolarHBondContact N-O 3.04Å; Y51-R54 PolarHBondContact O-N 3.32Å; Y51-S66 WeakPolarHBondContact CD1-O 3.34Å; Y51-S66 WeakPolarHBondContact CE1-O 3.46Å; Y51-G67 PolarHBondContact OH-O 3.35Å; Y51-G67 VanDerWaalsContact OH-O 3.09Å; Y51-L68 HydrophobicContact CD1-CD2 4.06Å; Y51-L68 HydrophobicContact CD1-CG 4.31Å; Y51-L68 HydrophobicContact CD2-CD2 3.7Å; Y51-L68 HydrophobicContact CE1-CD2 4.27Å; Y51-L68 HydrophobicContact CE2-CD2 3.92Å; Y51-L68 HydrophobicContact CG-CD2 3.77Å; Y51-L68 HydrophobicContact CG-CG 4.43Å; Y51-S72 PolarHBondContact OH-OG 2.98Å; Y51-K73 WeakPolarHBondContact CD2-O 3.49Å; Y51-V74 HydrophobicContact CD2-CG1 4Å; Y51-V74 HydrophobicContact CG-CG1 4.23Å
52	K	89.6	Confident	88.2	Confident	164 Å²	164	70.4 Å²	70.4	71%	0.713	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	42.9	179.7	-67.6	176.9	171.5	160.4	0	113.4	R54	K52-R54 PolarHBondContact O-N 3.21Å
53	G	88.6	Confident	88.4	Confident	74 Å²	74	70.7 Å²	70.7	76%	0.763	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	-1.8	-179.5	0	0	0	0	0	115.4	Y51	Y51-G53 PolarHBondContact O-N 2.86Å; Y51-G53 VanDerWaalsContact O-N 3.14Å
54	R	90.2	Very high	88.4	Confident	195 Å²	195	74 Å²	74	74%	0.736	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.1	176.8	-61.3	-175.2	-177.5	-168.7	-0.2	110.4	I50 Y51 K52	I50-R54 CarbonylContact C-O 3.58Å; I50-R54 VanDerWaalsContact CA-O 3.29Å; I50-R54 WeakPolarHBondContact CA-O 3.28Å; Y51-R54 PolarHBondContact N-O 3.04Å; Y51-R54 PolarHBondContact O-N 3.32Å; K52-R54 PolarHBondContact O-N 3.21Å
55	S	90.7	Very high	88.4	Confident	39 Å²	39	73 Å²	73	27%	0.273	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	124.1	168	-60.9	0	0	0	0	108.9	R48 I49	R48-S55 PolarHBondContact NE-OG 3.06Å; R48-S55 PolarHBondContact NH2-OG 3.44Å; I49-S55 CarbonylContact O-C 3.48Å; I49-S55 WeakPolarHBondContact O-CA 3.31Å
56	L	91.1	Very high	88.4	Confident	24 Å²	24	69.1 Å²	69.1	13%	0.126	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	108	171.8	-52.9	-178.9	0	0	0	106.8	L29 I49 L68	L29-L56 HydrophobicContact CD1-CB 3.9Å; L29-L56 HydrophobicContact CD1-CD1 3.85Å; L29-L56 HydrophobicContact CD2-CB 3.62Å; L29-L56 HydrophobicContact CG-CB 4.44Å; I49-L56 HydrophobicContact CB-CB 4.34Å; I49-L56 HydrophobicContact CG2-CB 4.49Å; I49-L56 HydrophobicContact CG2-CD1 3.92Å; I49-L56 HydrophobicContact CG2-CG 4.41Å; I49-L56 PolarHBondContact O-N 3.34Å; L56-L68 HydrophobicContact CD1-CD1 3.77Å; L56-L68 HydrophobicContact CD1-CG 4.47Å
57	T	86	Confident	88.4	Confident	116 Å²	116	66.6 Å²	66.6	71%	0.712	38%	0.376	S	S	*	.			trans	-113	-16.7	-171.3	54.1	0	0	0	0	113.8	P59	T57-P59 WeakPolarHBondContact O-CD 3.45Å
58	D	87.3	Confident	88.3	Confident	85 Å²	85	66.3 Å²	66.3	46%	0.455	38%	0.375	S	S	.	.			trans	-93.5	108.8	-177	-177.8	4.4	0	0	0	110.2	L29 D60 A61	L29-D58 WeakPolarHBondContact CB-O 3.33Å; L29-D58 WeakPolarHBondContact CD2-O 3.48Å; D58-D60 PolarHBondContact O-N 3.43Å; D58-D60 PolarHBondContact OD1-N 2.95Å; D58-A61 HydrophobicContact CB-CB 3.9Å; D58-A61 WeakPolarHBondContact O-CB 3.43Å; D58-A61 PolarHBondContact O-N 3.04Å
59	P	86.9	Confident	88.2	Confident	51 Å²	51	63.8 Å²	63.8	33%	0.331	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-29.8	-177.6	-17.7	31.4	0	0	0	113	T28 L29 L30 T57 A61	T28-P59 WeakPolarHBondContact CB-O 3.49Å; L29-P59 PolarHBondContact N-O 3.27Å; L30-P59 HydrophobicContact CB-CB 4.06Å; L30-P59 WeakPolarHBondContact CB-O 3.49Å; L30-P59 HydrophobicContact CD1-CB 4.39Å; L30-P59 PolarHBondContact N-O 3.45Å; T57-P59 WeakPolarHBondContact O-CD 3.45Å; P59-A61 VanDerWaalsContact C-N 3.34Å
60	D	88.1	Confident	87.9	Confident	123 Å²	123	66.4 Å²	66.4	66%	0.658	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.9	-175.7	-61.9	-38.3	0	0	0	112	D58	D58-D60 PolarHBondContact O-N 3.43Å; D58-D60 PolarHBondContact OD1-N 2.95Å
61	A	89.3	Confident	87.6	Confident	23 Å²	23	67.3 Å²	67.3	19%	0.19	41%	0.407	C	S	.	.	S	Bend	trans	-64.2	138.7	176.9	0	0	0	0	0	111.4	T28 L29 D58 P59	T28-A61 CarbonylContact C-O 3.57Å; T28-A61 WeakPolarHBondContact CA-O 3.5Å; L29-A61 PolarHBondContact N-O 3Å; D58-A61 HydrophobicContact CB-CB 3.9Å; D58-A61 WeakPolarHBondContact O-CB 3.43Å; D58-A61 PolarHBondContact O-N 3.04Å; P59-A61 VanDerWaalsContact C-N 3.34Å
62	L	88.3	Confident	87.5	Confident	69 Å²	69	66.9 Å²	66.9	36%	0.361	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-67.5	137.7	177.8	-67	172.8	0	0	0	111	A27 S64 S65 S66	A27-L62 WeakPolarHBondContact O-CA 3.24Å; L62-S64 PolarHBondContact O-N 3.19Å; L62-S65 PolarHBondContact O-N 3.34Å; L62-S65 PolarHBondContact O-OG 3.4Å; L62-S66 PolarHBondContact O-N 3.02Å
63	I	88.3	Confident	87.6	Confident	6 Å²	6	65.8 Å²	65.8	3%	0.031	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-41	174.4	-64.9	-180	0	0	0	110.4	L21 P22 A27 T28 L32 S65 S66 L68	L21-I63 HydrophobicContact CD1-CD1 4.3Å; L21-I63 HydrophobicContact CD1-CG2 3.89Å; P22-I63 HydrophobicContact CB-CD1 4.13Å; P22-I63 HydrophobicContact CG-CD1 4.04Å; A27-I63 HydrophobicContact CB-CD1 3.82Å; A27-I63 HydrophobicContact CB-CG1 4.35Å; A27-I63 WeakPolarHBondContact O-CG1 3.34Å; A27-I63 PolarHBondContact O-N 3.22Å; T28-I63 WeakPolarHBondContact O-CD1 3.48Å; T28-I63 VanDerWaalsContact O-CG1 3.3Å; T28-I63 WeakPolarHBondContact O-CG1 3.42Å; L32-I63 HydrophobicContact CB-CD1 3.83Å; L32-I63 HydrophobicContact CB-CG1 4.39Å; I63-S65 PolarHBondContact O-N 3.17Å; I63-S66 WeakPolarHBondContact O-CB 3.46Å; I63-S66 PolarHBondContact O-N 3.24Å; I63-S66 VanDerWaalsContact O-N 3.11Å; I63-L68 HydrophobicContact CG2-CB 3.56Å; I63-L68 HydrophobicContact CG2-CD1 3.99Å; I63-L68 HydrophobicContact CG2-CG 4.43Å; I63-L68 PolarHBondContact O-N 2.95Å
64	S	84.2	Confident	87.8	Confident	82 Å²	82	62.3 Å²	62.3	57%	0.573	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-60.8	-39.5	178	56.2	0	0	0	0	112.7	L62 S66 G67	L62-S64 PolarHBondContact O-N 3.19Å; S64-S66 VanDerWaalsContact C-N 3.25Å; S64-S66 PolarHBondContact O-N 3.04Å; S64-G67 PolarHBondContact O-N 3.07Å; S64-G67 VanDerWaalsContact O-N 3.09Å
65	S	85.4	Confident	87.9	Confident	87 Å²	87	57 Å²	57	61%	0.608	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-67.5	-24.7	175.8	69.4	0	0	0	0	113.5	L62 I63 G67	L62-S65 PolarHBondContact O-N 3.34Å; L62-S65 PolarHBondContact O-OG 3.4Å; I63-S65 PolarHBondContact O-N 3.17Å; S65-G67 PolarHBondContact O-N 3.47Å
66	S	82.4	Confident	87.9	Confident	29 Å²	29	55.3 Å²	55.3	20%	0.203	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-79	-6.4	174.9	-60.6	0	0	0	0	112.7	Y51 L62 I63 S64 L68	Y51-S66 WeakPolarHBondContact CD1-O 3.34Å; Y51-S66 WeakPolarHBondContact CE1-O 3.46Å; L62-S66 PolarHBondContact O-N 3.02Å; I63-S66 WeakPolarHBondContact O-CB 3.46Å; I63-S66 PolarHBondContact O-N 3.24Å; I63-S66 VanDerWaalsContact O-N 3.11Å; S64-S66 VanDerWaalsContact C-N 3.25Å; S64-S66 PolarHBondContact O-N 3.04Å; S66-L68 VanDerWaalsContact C-N 3.27Å; S66-L68 PolarHBondContact O-N 3.29Å
67	G	84.4	Confident	87.6	Confident	36 Å²	36	57.9 Å²	57.9	37%	0.371	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	18.9	-177.2	0	0	0	0	0	113.8	Y51 S64 S65	Y51-G67 PolarHBondContact OH-O 3.35Å; Y51-G67 VanDerWaalsContact OH-O 3.09Å; S64-G67 PolarHBondContact O-N 3.07Å; S64-G67 VanDerWaalsContact O-N 3.09Å; S65-G67 PolarHBondContact O-N 3.47Å
68	L	86.7	Confident	87.5	Confident	10 Å²	10	53.6 Å²	53.6	5%	0.052	33%	0.331	C	S	.	.			trans	-76.2	123	175.6	-76.2	168.1	0	0	0	109.6	L32 Y51 L56 I63 S66 V74	L32-L68 HydrophobicContact CD2-CD1 3.74Å; Y51-L68 HydrophobicContact CD1-CD2 4.06Å; Y51-L68 HydrophobicContact CD1-CG 4.31Å; Y51-L68 HydrophobicContact CD2-CD2 3.7Å; Y51-L68 HydrophobicContact CE1-CD2 4.27Å; Y51-L68 HydrophobicContact CE2-CD2 3.92Å; Y51-L68 HydrophobicContact CG-CD2 3.77Å; Y51-L68 HydrophobicContact CG-CG 4.43Å; L56-L68 HydrophobicContact CD1-CD1 3.77Å; L56-L68 HydrophobicContact CD1-CG 4.47Å; I63-L68 HydrophobicContact CG2-CB 3.56Å; I63-L68 HydrophobicContact CG2-CD1 3.99Å; I63-L68 HydrophobicContact CG2-CG 4.43Å; I63-L68 PolarHBondContact O-N 2.95Å; S66-L68 VanDerWaalsContact C-N 3.27Å; S66-L68 PolarHBondContact O-N 3.29Å; L68-V74 HydrophobicContact CD2-CG1 3.92Å; L68-V74 HydrophobicContact CD2-CG2 4.19Å
69	T	86.9	Confident	86.9	Confident	80 Å²	80	52 Å²	52	49%	0.491	33%	0.326	S	S	.	.			trans	-122.2	160.1	176	56.8	0	0	0	0	110.3	G71 S72	T69-G71 PolarHBondContact O-N 2.91Å; T69-S72 PolarHBondContact N-OG 3.18Å; T69-S72 VanDerWaalsContact N-OG 3.08Å; T69-S72 WeakPolarHBondContact O-CB 3.42Å; T69-S72 PolarHBondContact O-N 2.97Å; T69-S72 PolarHBondContact O-OG 3.38Å; T69-S72 PolarHBondContact OG1-OG 3.4Å
70	P	86.6	Confident	86.4	Confident	56 Å²	56	50 Å²	50	36%	0.364	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	135.3	169.9	-27.3	35.6	0	0	0	111.5	G5 L21 L23 S72	G5-P70 WeakPolarHBondContact O-CB 3.46Å; G5-P70 WeakPolarHBondContact O-CG 3.39Å; L21-P70 HydrophobicContact CD2-CG 4.18Å; L23-P70 HydrophobicContact CD2-CG 4.04Å; P70-S72 VanDerWaalsContact C-N 3.29Å; P70-S72 PolarHBondContact O-N 2.86Å
71	G	86.2	Confident	85.3	Confident	46 Å²	46	49.5 Å²	49.5	47%	0.474	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-6	-174.4	0	0	0	0	0	115.2	S7 T69 K73	S7-G71 PolarHBondContact O-N 3.48Å; T69-G71 PolarHBondContact O-N 2.91Å; G71-K73 PolarHBondContact O-N 2.99Å
72	S	90.4	Very high	84.2	Confident	9 Å²	9	55.3 Å²	55.3	6%	0.063	33%	0.328	C	S	.	.			trans	-57.3	138.1	176.2	-77.3	0	0	0	0	111.7	I8 N9 Y51 T69 P70	I8-S72 WeakPolarHBondContact CB-O 3.33Å; N9-S72 PolarHBondContact N-O 3.08Å; Y51-S72 PolarHBondContact OH-OG 2.98Å; T69-S72 PolarHBondContact N-OG 3.18Å; T69-S72 VanDerWaalsContact N-OG 3.08Å; T69-S72 WeakPolarHBondContact O-CB 3.42Å; T69-S72 PolarHBondContact O-N 2.97Å; T69-S72 PolarHBondContact O-OG 3.38Å; T69-S72 PolarHBondContact OG1-OG 3.4Å; P70-S72 VanDerWaalsContact C-N 3.29Å; P70-S72 PolarHBondContact O-N 2.86Å
73	K	92.5	Very high	83.3	Confident	141 Å²	141	53.8 Å²	53.8	61%	0.613	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	120.6	174.3	-169.5	176.4	-178.2	178.1	0	109.7	N9 V11 Y51 G71	N9-K73 CarbonylContact O-C 3.53Å; N9-K73 VanDerWaalsContact O-CA 3.32Å; N9-K73 WeakPolarHBondContact O-CA 3.31Å; V11-K73 HydrophobicContact CG2-CD 4.36Å; V11-K73 HydrophobicContact CG2-CG 4.1Å; Y51-K73 WeakPolarHBondContact CD2-O 3.49Å; G71-K73 PolarHBondContact O-N 2.99Å
74	V	92.8	Very high	82.7	Confident	2 Å²	2	57 Å²	57	1%	0.012	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.1	-178.4	-122.4	0	0	0	0	108.3	I8 N9 V10 V11 I49 I50 Y51 L68	I8-V74 HydrophobicContact CB-CG2 4.17Å; I8-V74 HydrophobicContact CD1-CG2 3.55Å; I8-V74 HydrophobicContact CG1-CG2 4.44Å; N9-V74 PolarHBondContact O-N 3.23Å; V10-V74 CarbonylContact C-O 3.59Å; V10-V74 WeakPolarHBondContact CA-O 3.35Å; V10-V74 HydrophobicContact CG2-CG2 4.39Å; V11-V74 PolarHBondContact N-O 2.93Å; I49-V74 HydrophobicContact CG2-CB 4.47Å; I49-V74 HydrophobicContact CG2-CG1 3.58Å; I50-V74 WeakPolarHBondContact O-CG1 3.5Å; Y51-V74 HydrophobicContact CD2-CG1 4Å; Y51-V74 HydrophobicContact CG-CG1 4.23Å; L68-V74 HydrophobicContact CD2-CG1 3.92Å; L68-V74 HydrophobicContact CD2-CG2 4.19Å
75	M	92	Very high	82.6	Confident	84 Å²	84	57.3 Å²	57.3	41%	0.414	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135	172.6	-175	169.5	75.9	0	0	108.7	V11 I50	V11-M75 HydrophobicContact CB-CB 4.47Å; V11-M75 HydrophobicContact CB-CG 4.4Å; V11-M75 CarbonylContact O-C 3.57Å; V11-M75 WeakPolarHBondContact O-CA 3.31Å; I50-M75 HydrophobicContact CB-CB 4.3Å; I50-M75 HydrophobicContact CB-CE 4.44Å; I50-M75 HydrophobicContact CD1-CE 3.72Å; I50-M75 HydrophobicContact CG2-CE 4.47Å; I50-M75 PolarHBondContact N-O 3.01Å; I50-M75 PolarHBondContact O-N 3.05Å
76	I	89.6	Confident	82.6	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.015	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.8	176.6	-61.7	-172.8	0	0	0	107.9	V10 V11 F12 V36 I42 I49	V10-I76 HydrophobicContact CB-CD1 4.37Å; V10-I76 HydrophobicContact CG1-CB 4.12Å; V10-I76 HydrophobicContact CG1-CD1 3.41Å; V10-I76 VanDerWaalsContact CG1-CD1 3.41Å; V10-I76 HydrophobicContact CG1-CG1 3.66Å; V10-I76 HydrophobicContact CG2-CD1 4.01Å; V11-I76 PolarHBondContact O-N 3.03Å; F12-I76 HydrophobicContact CD2-CG2 4.43Å; F12-I76 WeakPolarHBondContact CD2-O 3.24Å; V36-I76 HydrophobicContact CB-CD1 3.97Å; V36-I76 HydrophobicContact CG1-CD1 3.43Å; V36-I76 VanDerWaalsContact CG1-CD1 3.43Å; V36-I76 HydrophobicContact CG1-CG2 4.32Å; V36-I76 HydrophobicContact CG2-CD1 3.25Å; I42-I76 HydrophobicContact CD1-CG2 4.12Å; I49-I76 HydrophobicContact CG1-CD1 4.31Å; I49-I76 HydrophobicContact CG1-CG1 4.24Å
77	L	85.9	Confident	82.8	Confident	77 Å²	77	57.9 Å²	57.9	40%	0.403	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.8	167.1	-57.6	176.2	0	0	0	107.4	Q47 R48 I50	Q47-L77 CarbonylContact C-O 3.58Å; R48-L77 HydrophobicContact CB-CB 4.27Å; R48-L77 PolarHBondContact N-O 3.05Å; R48-L77 PolarHBondContact O-N 3.01Å; I50-L77 HydrophobicContact CD1-CD1 3.59Å; I50-L77 HydrophobicContact CD1-CG 4.09Å
78	G	82.8	Confident	82.9	Confident	26 Å²	26	57.8 Å²	57.8	27%	0.268	33%	0.327	S	S	.	.			trans	170.6	173.8	177.8	0	0	0	0	0	113.3	F12 K46	F12-G78 WeakPolarHBondContact CE2-O 3.33Å; K46-G78 WeakPolarHBondContact O-CA 3.2Å
79	S	75.9	Confident	83.1	Confident	51 Å²	51	61.9 Å²	61.9	36%	0.357	35%	0.352	S	S	.	.			trans	-105.9	121.8	178.7	-63.6	0	0	0	0	109.9
80	V	74.8	Confident	83.4	Confident	9 Å²	9	60.6 Å²	60.6	6%	0.055	34%	0.339	C	S	.	.			trans	-79.1	118.4	178.8	-178.8	0	0	0	0	108.7	F12 H41 I42 K82 P153 N155	F12-V80 HydrophobicContact CE1-CG2 3.51Å; F12-V80 HydrophobicContact CZ-CG2 3.54Å; H41-V80 HydrophobicContact CB-CG1 4.24Å; I42-V80 HydrophobicContact CD1-CG2 4.28Å; I42-V80 HydrophobicContact CG1-CB 4.49Å; I42-V80 HydrophobicContact CG1-CG2 3.73Å; V80-K82 VanDerWaalsContact C-N 3.34Å; V80-K82 VanDerWaalsContact CG1-O 3.23Å; V80-K82 WeakPolarHBondContact CG1-O 3.42Å; V80-P153 HydrophobicContact CB-CB 3.82Å; V80-P153 HydrophobicContact CB-CG 3.72Å; V80-P153 HydrophobicContact CG1-CG 4Å; V80-P153 HydrophobicContact CG2-CB 3.79Å; V80-P153 HydrophobicContact CG2-CG 3.85Å; V80-N155 PolarHBondContact N-ND2 3.23Å; V80-N155 PolarHBondContact N-OD1 3.32Å; V80-N155 VanDerWaalsContact N-OD1 3.07Å; V80-N155 PolarHBondContact O-ND2 2.76Å
81	E	66.8	Low	83.7	Confident	114 Å²	114	58.6 Å²	58.6	53%	0.533	33%	0.326	S	S	.	.	S	Bend	trans	-77.3	-22.3	-177.1	-79.5	-169.6	168.7	0	0	113.9	H41 P43 K46	H41-E81 PolarHBondContact O-N 2.99Å; H41-E81 VanDerWaalsContact O-N 3.13Å; P43-E81 HydrophobicContact CG-CB 4.22Å; P43-E81 HydrophobicContact CG-CG 3.52Å; P43-E81 WeakPolarHBondContact CG-OE2 3.29Å; K46-E81 IonicContact NZ-OE1 3.35Å; K46-E81 PolarHBondContact NZ-OE1 3.48Å
82	K	65.7	Low	84.1	Confident	145 Å²	145	60.4 Å²	60.4	63%	0.63	33%	0.327	S	S	*	.	S	Bend	trans	-120.9	116.2	-175.7	-66.5	-179	-177.4	174.1	0	110.2	H41 V80 N84	H41-K82 HydrophobicContact CB-CB 4.39Å; V80-K82 VanDerWaalsContact C-N 3.34Å; V80-K82 VanDerWaalsContact CG1-O 3.23Å; V80-K82 WeakPolarHBondContact CG1-O 3.42Å; K82-N84 PolarHBondContact O-N 3.47Å
83	L	68.9	Low	84.3	Confident	37 Å²	37	66 Å²	66	19%	0.194	35%	0.35	C	S	.	.			trans	-59.7	135	165.3	-169.2	73.2	0	0	0	108.5	P85 A88 L152 E159	L83-P85 VanDerWaalsContact O-N 3.16Å; L83-A88 HydrophobicContact CD2-CB 3.7Å; L83-L152 HydrophobicContact CD1-CD2 3.43Å; L83-L152 VanDerWaalsContact CD1-CD2 3.43Å; L83-L152 HydrophobicContact CD2-CD2 4.42Å; L83-L152 HydrophobicContact CG-CD2 4.47Å; L83-E159 HydrophobicContact CD2-CG 4Å
84	N	76.4	Confident	84.5	Confident	72 Å²	72	59.3 Å²	59.3	39%	0.385	32%	0.321	S	S	.	.			trans	-56.4	124.2	172.2	178.3	-12.8	0	0	0	108.1	K82 D86 E87 A88	K82-N84 PolarHBondContact O-N 3.47Å; N84-D86 PolarHBondContact O-N 2.96Å; N84-D86 VanDerWaalsContact O-N 3.16Å; N84-D86 WeakPolarHBondContact OD1-CB 3.44Å; N84-D86 PolarHBondContact OD1-N 2.84Å; N84-E87 HydrophobicContact CB-CB 4.22Å; N84-E87 HydrophobicContact CB-CG 3.8Å; N84-E87 WeakPolarHBondContact O-CB 3.26Å; N84-E87 PolarHBondContact O-N 3.3Å; N84-A88 PolarHBondContact O-N 2.91Å
85	P	81.6	Confident	84.7	Confident	89 Å²	89	64.5 Å²	64.5	58%	0.578	34%	0.344	S	S	*	.	H	α-helix	trans	-54.3	-34.9	-179.7	21.6	-34.1	0	0	0	112.2	L83 E87 A88 V89	L83-P85 VanDerWaalsContact O-N 3.16Å; P85-E87 VanDerWaalsContact C-N 3.32Å; P85-E87 PolarHBondContact O-N 3.46Å; P85-A88 WeakPolarHBondContact O-CB 3.49Å; P85-A88 PolarHBondContact O-N 3.22Å; P85-V89 WeakPolarHBondContact O-CG2 3.47Å; P85-V89 PolarHBondContact O-N 3.46Å
86	D	84.7	Confident	84.9	Confident	108 Å²	108	64.8 Å²	64.8	58%	0.578	35%	0.347	S	S	*	.	H	α-helix	trans	-64.7	-37.6	178	-63.6	-20.8	0	0	0	111.7	N84 V89 K90	N84-D86 PolarHBondContact O-N 2.96Å; N84-D86 VanDerWaalsContact O-N 3.16Å; N84-D86 WeakPolarHBondContact OD1-CB 3.44Å; N84-D86 PolarHBondContact OD1-N 2.84Å; D86-V89 PolarHBondContact O-N 2.89Å; D86-K90 WeakPolarHBondContact O-CG 3.46Å; D86-K90 PolarHBondContact O-N 2.94Å
87	E	87.3	Confident	85.2	Confident	20 Å²	20	66.1 Å²	66.1	9%	0.093	36%	0.355	C	S	.	.	H	α-helix	trans	-70.9	-34.8	176.6	-61.1	-62.3	149.7	0	0	111.5	N84 P85 K90 L91 V150 R151	N84-E87 HydrophobicContact CB-CB 4.22Å; N84-E87 HydrophobicContact CB-CG 3.8Å; N84-E87 WeakPolarHBondContact O-CB 3.26Å; N84-E87 PolarHBondContact O-N 3.3Å; P85-E87 VanDerWaalsContact C-N 3.32Å; P85-E87 PolarHBondContact O-N 3.46Å; E87-K90 PolarHBondContact O-N 3.42Å; E87-K90 IonicContact OE1-NZ 3.84Å; E87-K90 PolarHBondContact OE1-NZ 3.39Å; E87-K90 IonicContact OE2-NZ 3.34Å; E87-K90 PolarHBondContact OE2-NZ 3.47Å; E87-L91 PolarHBondContact O-N 3.37Å; E87-V150 HydrophobicContact CB-CG1 4.4Å; E87-V150 WeakPolarHBondContact OE2-CA 3.36Å; E87-V150 WeakPolarHBondContact OE2-CG1 3.43Å; E87-R151 PolarHBondContact OE2-N 3.2Å
88	A	86.4	Confident	85.7	Confident	35 Å²	35	62.8 Å²	62.8	29%	0.289	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-46.4	173.1	0	0	0	0	0	111.4	L83 N84 P85 K90 L91 V92	L83-A88 HydrophobicContact CD2-CB 3.7Å; N84-A88 PolarHBondContact O-N 2.91Å; P85-A88 WeakPolarHBondContact O-CB 3.49Å; P85-A88 PolarHBondContact O-N 3.22Å; A88-K90 VanDerWaalsContact C-N 3.3Å; A88-K90 PolarHBondContact O-N 3.48Å; A88-L91 PolarHBondContact O-N 2.94Å; A88-L91 VanDerWaalsContact O-N 3.16Å; A88-V92 PolarHBondContact O-N 3.03Å; A88-V92 VanDerWaalsContact O-N 3.09Å
89	V	91.7	Very high	86.4	Confident	96 Å²	96	65.4 Å²	65.4	58%	0.582	35%	0.346	S	S	*	.	H	α-helix	trans	-61.9	-38.3	-179.8	171.1	0	0	0	0	111.2	P85 D86 L91 V92 K93	P85-V89 WeakPolarHBondContact O-CG2 3.47Å; P85-V89 PolarHBondContact O-N 3.46Å; D86-V89 PolarHBondContact O-N 2.89Å; V89-L91 VanDerWaalsContact C-N 3.34Å; V89-L91 PolarHBondContact O-N 3.37Å; V89-V92 PolarHBondContact O-N 3.23Å; V89-K93 WeakPolarHBondContact O-CB 3.29Å; V89-K93 PolarHBondContact O-N 3.48Å
90	K	92.9	Very high	87.4	Confident	52 Å²	52	66.3 Å²	66.3	23%	0.226	35%	0.35	C	S	.	.	H	α-helix	trans	-60.5	-42.4	175.3	-67.2	173.1	-170.8	172.5	0	112.2	D86 E87 A88 K93 A94 L146 V150	D86-K90 WeakPolarHBondContact O-CG 3.46Å; D86-K90 PolarHBondContact O-N 2.94Å; E87-K90 PolarHBondContact O-N 3.42Å; E87-K90 IonicContact OE1-NZ 3.84Å; E87-K90 PolarHBondContact OE1-NZ 3.39Å; E87-K90 IonicContact OE2-NZ 3.34Å; E87-K90 PolarHBondContact OE2-NZ 3.47Å; A88-K90 VanDerWaalsContact C-N 3.3Å; A88-K90 PolarHBondContact O-N 3.48Å; K90-K93 PolarHBondContact O-N 3.16Å; K90-A94 WeakPolarHBondContact O-CB 3.46Å; K90-A94 PolarHBondContact O-N 2.92Å; K90-L146 HydrophobicContact CB-CD1 4.19Å; K90-L146 HydrophobicContact CB-CG 4.39Å; K90-L146 HydrophobicContact CD-CD1 4.33Å; K90-L146 HydrophobicContact CG-CD1 3.94Å; K90-V150 HydrophobicContact CB-CG2 3.79Å; K90-V150 HydrophobicContact CD-CG2 4.12Å
91	L	92.6	Very high	88.5	Confident	15 Å²	15	65.9 Å²	65.9	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-65.3	-41.8	177.5	-73.6	173.5	0	0	0	112	E87 A88 V89 A94 K95 L147 V150 L152 E159 R163	E87-L91 PolarHBondContact O-N 3.37Å; A88-L91 PolarHBondContact O-N 2.94Å; A88-L91 VanDerWaalsContact O-N 3.16Å; V89-L91 VanDerWaalsContact C-N 3.34Å; V89-L91 PolarHBondContact O-N 3.37Å; L91-A94 PolarHBondContact O-N 3.14Å; L91-K95 PolarHBondContact O-N 3.49Å; L91-L147 HydrophobicContact CD2-CD2 4.1Å; L91-V150 HydrophobicContact CD2-CG1 4.28Å; L91-V150 HydrophobicContact CD2-CG2 4.36Å; L91-V150 HydrophobicContact CG-CG1 4.13Å; L91-L152 HydrophobicContact CD1-CD1 4.33Å; L91-L152 HydrophobicContact CD1-CD2 4.08Å; L91-E159 HydrophobicContact CD1-CB 4.01Å; L91-E159 HydrophobicContact CD1-CG 4.42Å; L91-R163 HydrophobicContact CD2-CB 3.81Å; L91-R163 HydrophobicContact CD2-CG 4.09Å
92	V	94.4	Very high	90	Very high	84 Å²	84	62.5 Å²	62.5	51%	0.509	33%	0.333	S	S	.	.	H	α-helix	trans	-62	-49.3	175.9	175.4	0	0	0	0	110.2	A88 V89 A94 K95 D96	A88-V92 PolarHBondContact O-N 3.03Å; A88-V92 VanDerWaalsContact O-N 3.09Å; V89-V92 PolarHBondContact O-N 3.23Å; V92-A94 VanDerWaalsContact C-N 3.31Å; V92-A94 PolarHBondContact O-N 3.4Å; V92-K95 WeakPolarHBondContact O-CA 3.46Å; V92-K95 WeakPolarHBondContact O-CB 3.47Å; V92-K95 PolarHBondContact O-N 3.06Å; V92-D96 PolarHBondContact O-N 3.35Å
93	K	95.5	Very high	91.4	Very high	126 Å²	126	61.2 Å²	61.2	55%	0.548	33%	0.332	S	S	.	.	H	α-helix	trans	-58.4	-42.1	178.3	-173.8	179.5	-179.4	-177.3	0	112.4	V89 K90 K95 D96 T97 L146	V89-K93 WeakPolarHBondContact O-CB 3.29Å; V89-K93 PolarHBondContact O-N 3.48Å; K90-K93 PolarHBondContact O-N 3.16Å; K93-K95 VanDerWaalsContact C-N 3.29Å; K93-K95 PolarHBondContact O-N 3.38Å; K93-D96 PolarHBondContact O-N 3.22Å; K93-T97 PolarHBondContact O-N 2.94Å; K93-T97 PolarHBondContact O-OG1 2.99Å; K93-T97 VanDerWaalsContact O-OG1 3.04Å; K93-L146 HydrophobicContact CB-CD2 4.31Å; K93-L146 HydrophobicContact CD-CD2 4.09Å; K93-L146 HydrophobicContact CG-CD2 4.25Å
94	A	96.1	Very high	92.8	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.9	-36.9	176.8	0	0	0	0	0	112	K90 L91 V92 S98 T143 L146 L147 L166	K90-A94 WeakPolarHBondContact O-CB 3.46Å; K90-A94 PolarHBondContact O-N 2.92Å; L91-A94 PolarHBondContact O-N 3.14Å; V92-A94 VanDerWaalsContact C-N 3.31Å; V92-A94 PolarHBondContact O-N 3.4Å; A94-S98 WeakPolarHBondContact O-CB 3.5Å; A94-S98 PolarHBondContact O-N 2.9Å; A94-T143 HydrophobicContact CB-CG2 3.84Å; A94-L146 HydrophobicContact CB-CD2 4.38Å; A94-L147 HydrophobicContact CB-CD1 4.33Å; A94-L147 HydrophobicContact CB-CD2 3.63Å; A94-L147 HydrophobicContact CB-CG 3.85Å; A94-L166 HydrophobicContact CB-CD1 4.37Å
95	K	96.4	Very high	93.8	Very high	112 Å²	112	59.3 Å²	59.3	49%	0.487	32%	0.32	S	S	.	.	H	α-helix	trans	-66.5	-46.3	174.7	-171.9	-179.6	177.3	-171.5	0	112.1	L91 V92 K93 T97 S98 D99 L166	L91-K95 PolarHBondContact O-N 3.49Å; V92-K95 WeakPolarHBondContact O-CA 3.46Å; V92-K95 WeakPolarHBondContact O-CB 3.47Å; V92-K95 PolarHBondContact O-N 3.06Å; K93-K95 VanDerWaalsContact C-N 3.29Å; K93-K95 PolarHBondContact O-N 3.38Å; K95-T97 VanDerWaalsContact C-N 3.3Å; K95-T97 PolarHBondContact O-N 2.97Å; K95-S98 WeakPolarHBondContact O-CA 3.48Å; K95-S98 VanDerWaalsContact O-CB 3.24Å; K95-S98 WeakPolarHBondContact O-CB 2.98Å; K95-S98 PolarHBondContact O-N 3.03Å; K95-D99 PolarHBondContact O-N 3.41Å; K95-L166 HydrophobicContact CB-CD1 4.34Å; K95-L166 HydrophobicContact CB-CD2 4.17Å; K95-L166 HydrophobicContact CG-CD2 4.33Å
96	D	96.7	Very high	94.5	Very high	89 Å²	89	60.2 Å²	60.2	48%	0.476	32%	0.315	S	S	.	.	H	α-helix	trans	-62.2	-39.6	179	-61.2	-21.8	0	0	0	111.6	V92 K93 D99 T100	V92-D96 PolarHBondContact O-N 3.35Å; K93-D96 PolarHBondContact O-N 3.22Å; D96-D99 PolarHBondContact O-N 2.9Å; D96-T100 PolarHBondContact O-N 3.01Å; D96-T100 PolarHBondContact O-OG1 2.99Å
97	T	96.1	Very high	95	Very high	32 Å²	32	58.7 Å²	58.7	20%	0.196	31%	0.307	C	S	.	.	H	α-helix	trans	-64.9	-41	172.8	-54.6	0	0	0	0	111.3	K93 K95 D99 T100 V101 T143	K93-T97 PolarHBondContact O-N 2.94Å; K93-T97 PolarHBondContact O-OG1 2.99Å; K93-T97 VanDerWaalsContact O-OG1 3.04Å; K95-T97 VanDerWaalsContact C-N 3.3Å; K95-T97 PolarHBondContact O-N 2.97Å; T97-D99 VanDerWaalsContact C-N 3.33Å; T97-D99 PolarHBondContact O-N 3.14Å; T97-T100 WeakPolarHBondContact O-CB 3.27Å; T97-T100 PolarHBondContact O-N 3.19Å; T97-V101 HydrophobicContact CG2-CG2 4.23Å; T97-V101 WeakPolarHBondContact O-CB 3.35Å; T97-V101 WeakPolarHBondContact O-CG2 3.48Å; T97-V101 PolarHBondContact O-N 3.39Å; T97-T143 VanDerWaalsContact CG2-OG1 3.27Å; T97-T143 WeakPolarHBondContact CG2-OG1 3.43Å
98	S	96.6	Very high	95.4	Very high	6 Å²	6	58 Å²	58	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-57	-46.9	175.3	-177.4	0	0	0	0	111.4	A94 K95 T100 V101 D102 F173	A94-S98 WeakPolarHBondContact O-CB 3.5Å; A94-S98 PolarHBondContact O-N 2.9Å; K95-S98 WeakPolarHBondContact O-CA 3.48Å; K95-S98 VanDerWaalsContact O-CB 3.24Å; K95-S98 WeakPolarHBondContact O-CB 2.98Å; K95-S98 PolarHBondContact O-N 3.03Å; S98-T100 VanDerWaalsContact C-N 3.31Å; S98-T100 PolarHBondContact O-N 3.43Å; S98-V101 PolarHBondContact O-N 3.31Å; S98-D102 PolarHBondContact O-N 3.43Å; S98-F173 WeakPolarHBondContact O-CE2 3.35Å; S98-F173 WeakPolarHBondContact OG-CE2 3.32Å
99	D	97.2	Very high	95.8	Very high	82 Å²	82	58.6 Å²	58.6	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-64.5	-37.8	178.8	-65.5	-19.5	0	0	0	111.3	K95 D96 T97 L103	K95-D99 PolarHBondContact O-N 3.41Å; D96-D99 PolarHBondContact O-N 2.9Å; T97-D99 VanDerWaalsContact C-N 3.33Å; T97-D99 PolarHBondContact O-N 3.14Å; D99-L103 WeakPolarHBondContact O-CG 3.48Å; D99-L103 PolarHBondContact O-N 3.33Å
100	T	96.9	Very high	96	Very high	69 Å²	69	58.8 Å²	58.8	42%	0.423	30%	0.302	S	S	.	.	H	α-helix	trans	-65.3	-44.9	175.5	-57.4	0	0	0	0	111.7	D96 T97 S98 L103 Q104	D96-T100 PolarHBondContact O-N 3.01Å; D96-T100 PolarHBondContact O-OG1 2.99Å; T97-T100 WeakPolarHBondContact O-CB 3.27Å; T97-T100 PolarHBondContact O-N 3.19Å; S98-T100 VanDerWaalsContact C-N 3.31Å; S98-T100 PolarHBondContact O-N 3.43Å; T100-L103 PolarHBondContact O-N 3.05Å; T100-Q104 WeakPolarHBondContact O-CG 3.34Å; T100-Q104 PolarHBondContact O-N 3.23Å
101	V	97.3	Very high	95.9	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.7	-40.8	179.2	166.7	0	0	0	0	111.3	T97 S98 L103 Q104 L105 I136 Q139 F173	T97-V101 HydrophobicContact CG2-CG2 4.23Å; T97-V101 WeakPolarHBondContact O-CB 3.35Å; T97-V101 WeakPolarHBondContact O-CG2 3.48Å; T97-V101 PolarHBondContact O-N 3.39Å; S98-V101 PolarHBondContact O-N 3.31Å; V101-L103 VanDerWaalsContact C-N 3.31Å; V101-L103 PolarHBondContact O-N 3.25Å; V101-Q104 PolarHBondContact O-N 3.48Å; V101-L105 HydrophobicContact CG1-CD1 3.89Å; V101-L105 HydrophobicContact CG1-CG 4.28Å; V101-L105 WeakPolarHBondContact O-CB 3.45Å; V101-L105 WeakPolarHBondContact O-CG 3.26Å; V101-L105 PolarHBondContact O-N 2.94Å; V101-I136 HydrophobicContact CG1-CG2 3.84Å; V101-Q139 HydrophobicContact CG2-CB 4.42Å; V101-F173 HydrophobicContact CB-CD2 4.09Å; V101-F173 HydrophobicContact CB-CE2 4.38Å; V101-F173 HydrophobicContact CG1-CB 3.92Å; V101-F173 HydrophobicContact CG1-CD2 3.47Å; V101-F173 VanDerWaalsContact CG1-CD2 3.47Å; V101-F173 HydrophobicContact CG1-CE2 4.16Å; V101-F173 HydrophobicContact CG1-CG 3.85Å
102	D	97.6	Very high	95.9	Very high	44 Å²	44	59.8 Å²	59.8	24%	0.235	31%	0.306	C	S	.	.	H	α-helix	trans	-57.5	-45	176.1	-176.3	45.3	0	0	0	111.5	S98 L105 K106 F173	S98-D102 PolarHBondContact O-N 3.43Å; D102-L105 PolarHBondContact O-N 3Å; D102-K106 WeakPolarHBondContact O-CG 3.43Å; D102-K106 PolarHBondContact O-N 3.12Å; D102-K106 VanDerWaalsContact OD1-CE 3.31Å; D102-K106 WeakPolarHBondContact OD1-CE 3.41Å; D102-K106 IonicContact OD1-NZ 3.49Å; D102-K106 PolarHBondContact OD1-NZ 2.96Å; D102-K106 IonicContact OD2-NZ 2.65Å; D102-K106 PolarHBondContact OD2-NZ 3.35Å; D102-F173 HydrophobicContact CB-CE1 4.19Å; D102-F173 HydrophobicContact CB-CE2 4.26Å; D102-F173 HydrophobicContact CB-CZ 3.64Å
103	L	97.1	Very high	95.8	Very high	117 Å²	117	59.9 Å²	59.9	61%	0.613	30%	0.303	S	S	*	.	H	α-helix	trans	-64.1	-42.4	176.2	-68.4	173	0	0	0	112.2	D99 T100 V101 K106 D107	D99-L103 WeakPolarHBondContact O-CG 3.48Å; D99-L103 PolarHBondContact O-N 3.33Å; T100-L103 PolarHBondContact O-N 3.05Å; V101-L103 VanDerWaalsContact C-N 3.31Å; V101-L103 PolarHBondContact O-N 3.25Å; L103-K106 PolarHBondContact O-N 3.32Å; L103-D107 WeakPolarHBondContact O-CB 3.34Å; L103-D107 PolarHBondContact O-N 3.35Å
104	Q	97.1	Very high	95.5	Very high	68 Å²	68	57.1 Å²	57.1	32%	0.318	30%	0.297	S	S	.	.	H	α-helix	trans	-65.2	-38.9	178.1	-71.9	-179.8	-32.8	0	0	112.4	T100 V101 L108 I136	T100-Q104 WeakPolarHBondContact O-CG 3.34Å; T100-Q104 PolarHBondContact O-N 3.23Å; V101-Q104 PolarHBondContact O-N 3.48Å; Q104-L108 WeakPolarHBondContact O-CG 3.28Å; Q104-L108 PolarHBondContact O-N 2.62Å; Q104-I136 HydrophobicContact CB-CD1 3.8Å; Q104-I136 HydrophobicContact CB-CG1 4.19Å
105	L	96.9	Very high	95.1	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-67.3	-41.6	176.5	-79	172.9	0	0	0	112.1	V101 D102 L108 T109 I136 F173 Q176 A177 L180	V101-L105 HydrophobicContact CG1-CD1 3.89Å; V101-L105 HydrophobicContact CG1-CG 4.28Å; V101-L105 WeakPolarHBondContact O-CB 3.45Å; V101-L105 WeakPolarHBondContact O-CG 3.26Å; V101-L105 PolarHBondContact O-N 2.94Å; D102-L105 PolarHBondContact O-N 3Å; L105-L108 PolarHBondContact O-N 2.97Å; L105-T109 WeakPolarHBondContact O-CB 3.46Å; L105-T109 PolarHBondContact O-N 2.89Å; L105-T109 PolarHBondContact O-OG1 3.01Å; L105-I136 HydrophobicContact CD2-CD1 4.25Å; L105-I136 HydrophobicContact CD2-CG2 4.18Å; L105-I136 HydrophobicContact CG-CD1 4.48Å; L105-I136 HydrophobicContact CG-CG2 4.26Å; L105-F173 HydrophobicContact CD1-CB 3.6Å; L105-F173 HydrophobicContact CD1-CD1 3.63Å; L105-F173 HydrophobicContact CD1-CE1 4.5Å; L105-F173 HydrophobicContact CD1-CG 3.72Å; L105-Q176 HydrophobicContact CD1-CB 4.25Å; L105-Q176 HydrophobicContact CD2-CB 4.47Å; L105-A177 HydrophobicContact CD2-CB 3.96Å; L105-L180 HydrophobicContact CD2-CD1 3.78Å
106	K	96.8	Very high	94.7	Very high	107 Å²	107	57.7 Å²	57.7	47%	0.465	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-48.7	175	-75.2	169.4	179.6	163.1	0	111.6	D102 L103 L108 T109 D110	D102-K106 WeakPolarHBondContact O-CG 3.43Å; D102-K106 PolarHBondContact O-N 3.12Å; D102-K106 VanDerWaalsContact OD1-CE 3.31Å; D102-K106 WeakPolarHBondContact OD1-CE 3.41Å; D102-K106 IonicContact OD1-NZ 3.49Å; D102-K106 PolarHBondContact OD1-NZ 2.96Å; D102-K106 IonicContact OD2-NZ 2.65Å; D102-K106 PolarHBondContact OD2-NZ 3.35Å; L103-K106 PolarHBondContact O-N 3.32Å; K106-L108 VanDerWaalsContact C-N 3.34Å; K106-L108 PolarHBondContact O-N 3.35Å; K106-T109 WeakPolarHBondContact O-CB 3.36Å; K106-T109 PolarHBondContact O-N 3.35Å; K106-T109 VanDerWaalsContact O-N 3.07Å; K106-D110 PolarHBondContact O-N 3.19Å
107	D	96.4	Very high	94.1	Very high	76 Å²	76	58.3 Å²	58.3	41%	0.406	32%	0.316	S	S	.	.	H	α-helix	trans	-58.8	-42.2	177	174	70.4	0	0	0	112.4	L103 T109 D110 K111	L103-D107 WeakPolarHBondContact O-CB 3.34Å; L103-D107 PolarHBondContact O-N 3.35Å; D107-T109 VanDerWaalsContact C-N 3.34Å; D107-D110 PolarHBondContact O-N 3.44Å; D107-K111 WeakPolarHBondContact O-CD 3.45Å; D107-K111 VanDerWaalsContact O-CG 3.28Å; D107-K111 WeakPolarHBondContact O-CG 3.31Å; D107-K111 PolarHBondContact O-N 3.39Å; D107-K111 WeakPolarHBondContact OD1-CE 3.41Å; D107-K111 IonicContact OD1-NZ 3.36Å; D107-K111 PolarHBondContact OD1-NZ 2.9Å; D107-K111 VanDerWaalsContact OD2-CE 3.31Å; D107-K111 WeakPolarHBondContact OD2-CE 3.48Å; D107-K111 IonicContact OD2-NZ 3.86Å; D107-K111 PolarHBondContact OD2-NZ 3.31Å
108	L	94.8	Very high	93.1	Very high	5 Å²	5	63 Å²	63	3%	0.026	34%	0.336	C	S	.	.	H	α-helix	trans	-68	-33.5	174.9	-75.7	179	0	0	0	113.2	Q104 L105 K106 K111 L112 H129 T133 I136 L180	Q104-L108 WeakPolarHBondContact O-CG 3.28Å; Q104-L108 PolarHBondContact O-N 2.62Å; L105-L108 PolarHBondContact O-N 2.97Å; K106-L108 VanDerWaalsContact C-N 3.34Å; K106-L108 PolarHBondContact O-N 3.35Å; L108-K111 HydrophobicContact CD2-CD 4.39Å; L108-K111 PolarHBondContact O-N 3Å; L108-L112 PolarHBondContact O-N 3.29Å; L108-H129 HydrophobicContact CD2-CB 4.27Å; L108-T133 HydrophobicContact CD1-CG2 3.96Å; L108-I136 HydrophobicContact CD1-CD1 3.4Å; L108-I136 HydrophobicContact CG-CD1 4.49Å; L108-L180 HydrophobicContact CB-CD1 4.21Å
109	T	95.6	Very high	91.8	Very high	49 Å²	49	68.1 Å²	68.1	30%	0.301	37%	0.371	S	S	.	.	H	α-helix	trans	-65.7	-46.3	175.5	-55.5	0	0	0	0	110.4	L105 K106 D107 K111 L112 D113	L105-T109 WeakPolarHBondContact O-CB 3.46Å; L105-T109 PolarHBondContact O-N 2.89Å; L105-T109 PolarHBondContact O-OG1 3.01Å; K106-T109 WeakPolarHBondContact O-CB 3.36Å; K106-T109 PolarHBondContact O-N 3.35Å; K106-T109 VanDerWaalsContact O-N 3.07Å; D107-T109 VanDerWaalsContact C-N 3.34Å; T109-K111 VanDerWaalsContact C-N 3.29Å; T109-K111 PolarHBondContact O-N 3.48Å; T109-L112 WeakPolarHBondContact O-CB 3.36Å; T109-L112 PolarHBondContact O-N 3.4Å; T109-L112 VanDerWaalsContact O-N 3.11Å; T109-D113 PolarHBondContact O-N 3.31Å
110	D	94.2	Very high	90.2	Very high	100 Å²	100	71.9 Å²	71.9	54%	0.535	39%	0.392	S	S	.	.	H	α-helix	trans	-62.3	-38	177.8	-66.2	-19	0	0	0	111.7	K106 D107 D113 T114	K106-D110 PolarHBondContact O-N 3.19Å; D107-D110 PolarHBondContact O-N 3.44Å; D110-D113 PolarHBondContact O-N 3.09Å; D110-T114 WeakPolarHBondContact O-CB 3.39Å; D110-T114 PolarHBondContact O-N 3.16Å; D110-T114 PolarHBondContact O-OG1 3.31Å
111	K	92.3	Very high	89	Confident	76 Å²	76	69.2 Å²	69.2	33%	0.33	38%	0.376	S	S	.	.	H	α-helix	trans	-64.3	-42	173.6	-75.2	165	175.9	171.5	0	112.1	D107 L108 T109 T114 I115	D107-K111 WeakPolarHBondContact O-CD 3.45Å; D107-K111 VanDerWaalsContact O-CG 3.28Å; D107-K111 WeakPolarHBondContact O-CG 3.31Å; D107-K111 PolarHBondContact O-N 3.39Å; D107-K111 WeakPolarHBondContact OD1-CE 3.41Å; D107-K111 IonicContact OD1-NZ 3.36Å; D107-K111 PolarHBondContact OD1-NZ 2.9Å; D107-K111 VanDerWaalsContact OD2-CE 3.31Å; D107-K111 WeakPolarHBondContact OD2-CE 3.48Å; D107-K111 IonicContact OD2-NZ 3.86Å; D107-K111 PolarHBondContact OD2-NZ 3.31Å; L108-K111 HydrophobicContact CD2-CD 4.39Å; L108-K111 PolarHBondContact O-N 3Å; T109-K111 VanDerWaalsContact C-N 3.29Å; T109-K111 PolarHBondContact O-N 3.48Å; K111-T114 PolarHBondContact O-N 3.38Å; K111-I115 VanDerWaalsContact O-CG1 3.31Å; K111-I115 WeakPolarHBondContact O-CG1 3.5Å; K111-I115 PolarHBondContact O-N 2.96Å
112	L	91.8	Very high	88.1	Confident	11 Å²	11	73.9 Å²	73.9	6%	0.058	40%	0.401	C	S	.	.	H	α-helix	trans	-60.8	-46.8	175.4	179.5	65.6	0	0	0	111.1	L108 T109 T114 I115 L116 L180 E183 F184 L187	L108-L112 PolarHBondContact O-N 3.29Å; T109-L112 WeakPolarHBondContact O-CB 3.36Å; T109-L112 PolarHBondContact O-N 3.4Å; T109-L112 VanDerWaalsContact O-N 3.11Å; L112-T114 VanDerWaalsContact C-N 3.29Å; L112-T114 PolarHBondContact O-N 3.46Å; L112-I115 PolarHBondContact O-N 3.04Å; L112-L116 HydrophobicContact CD1-CD1 4.32Å; L112-L116 HydrophobicContact CD1-CG 4.41Å; L112-L116 HydrophobicContact CG-CD1 4.01Å; L112-L116 HydrophobicContact CG-CG 4.5Å; L112-L116 WeakPolarHBondContact O-CG 3.34Å; L112-L116 PolarHBondContact O-N 3.18Å; L112-L180 HydrophobicContact CB-CD2 4.46Å; L112-L180 HydrophobicContact CD2-CD2 3.68Å; L112-E183 HydrophobicContact CD1-CB 4.08Å; L112-E183 HydrophobicContact CD2-CB 3.71Å; L112-E183 HydrophobicContact CD2-CG 4.14Å; L112-F184 HydrophobicContact CB-CE1 3.91Å; L112-F184 HydrophobicContact CB-CZ 3.77Å; L112-F184 HydrophobicContact CD1-CD1 3.78Å; L112-F184 HydrophobicContact CD1-CE1 3.65Å; L112-F184 HydrophobicContact CD1-CG 4.43Å; L112-F184 HydrophobicContact CD1-CZ 4.19Å; L112-F184 HydrophobicContact CG-CE1 4.38Å; L112-L187 HydrophobicContact CD1-CD1 3.67Å
113	D	91.7	Very high	87.3	Confident	86 Å²	86	73.8 Å²	73.8	46%	0.46	40%	0.403	S	S	.	.	H	α-helix	trans	-63.8	-36.5	179.3	-73.3	-18.6	0	0	0	112.1	T109 D110 L116 S117	T109-D113 PolarHBondContact O-N 3.31Å; D110-D113 PolarHBondContact O-N 3.09Å; D113-L116 PolarHBondContact O-N 3.04Å; D113-S117 WeakPolarHBondContact O-CB 3.32Å; D113-S117 PolarHBondContact O-N 3.42Å; D113-S117 VanDerWaalsContact O-N 3.08Å; D113-S117 PolarHBondContact O-OG 3.3Å
114	T	90.1	Very high	86.7	Confident	69 Å²	69	74.4 Å²	74.4	42%	0.423	41%	0.407	S	S	.	.	H	α-helix	trans	-64.1	-46	174.7	-57.4	0	0	0	0	111.4	D110 K111 L112 S117 Q118	D110-T114 WeakPolarHBondContact O-CB 3.39Å; D110-T114 PolarHBondContact O-N 3.16Å; D110-T114 PolarHBondContact O-OG1 3.31Å; K111-T114 PolarHBondContact O-N 3.38Å; L112-T114 VanDerWaalsContact C-N 3.29Å; L112-T114 PolarHBondContact O-N 3.46Å; T114-S117 PolarHBondContact O-N 3.02Å; T114-Q118 WeakPolarHBondContact O-CB 3.33Å; T114-Q118 PolarHBondContact O-N 2.81Å
115	I	88.6	Confident	86.2	Confident	22 Å²	22	76.3 Å²	76.3	11%	0.113	42%	0.416	C	S	.	.	H	α-helix	trans	-65.7	-39.3	178	-69	166.3	0	0	0	111.4	K111 L112 S117 Q118 F184 L187	K111-I115 VanDerWaalsContact O-CG1 3.31Å; K111-I115 WeakPolarHBondContact O-CG1 3.5Å; K111-I115 PolarHBondContact O-N 2.96Å; L112-I115 PolarHBondContact O-N 3.04Å; I115-S117 PolarHBondContact O-N 3.46Å; I115-Q118 CarbonylContact O-C 3.51Å; I115-Q118 PolarHBondContact O-N 3.49Å; I115-F184 HydrophobicContact CD1-CE1 4.24Å; I115-L187 HydrophobicContact CG2-CD1 3.81Å
116	L	86.1	Confident	85.9	Confident	102 Å²	102	76.2 Å²	76.2	53%	0.534	42%	0.415	S	S	.	.	H	α-helix	trans	-64.6	-29.8	175.7	-73.3	170.4	0	0	0	112.3	L112 D113 L187	L112-L116 HydrophobicContact CD1-CD1 4.32Å; L112-L116 HydrophobicContact CD1-CG 4.41Å; L112-L116 HydrophobicContact CG-CD1 4.01Å; L112-L116 HydrophobicContact CG-CG 4.5Å; L112-L116 WeakPolarHBondContact O-CG 3.34Å; L112-L116 PolarHBondContact O-N 3.18Å; D113-L116 PolarHBondContact O-N 3.04Å; L116-L187 HydrophobicContact CD2-CD2 3.95Å
117	S	86.2	Confident	85.7	Confident	102 Å²	102	74.2 Å²	74.2	71%	0.713	41%	0.412	S	S	*	.	H	α-helix	trans	-84.2	-28.6	178.8	-57.1	0	0	0	0	113.3	D113 T114 I115	D113-S117 WeakPolarHBondContact O-CB 3.32Å; D113-S117 PolarHBondContact O-N 3.42Å; D113-S117 VanDerWaalsContact O-N 3.08Å; D113-S117 PolarHBondContact O-OG 3.3Å; T114-S117 PolarHBondContact O-N 3.02Å; I115-S117 PolarHBondContact O-N 3.46Å
118	Q	74.9	Confident	85.5	Confident	130 Å²	130	73 Å²	73	61%	0.607	41%	0.412	S	S	*	.	S	Bend	trans	-111.9	98.6	-177.5	-62.5	-178.1	-4.1	0	0	108.9	T114 I115 D120	T114-Q118 WeakPolarHBondContact O-CB 3.33Å; T114-Q118 PolarHBondContact O-N 2.81Å; I115-Q118 CarbonylContact O-C 3.51Å; I115-Q118 PolarHBondContact O-N 3.49Å; Q118-D120 PolarHBondContact O-N 2.81Å
119	S	67.8	Low	85.5	Confident	113 Å²	113	74 Å²	74	79%	0.79	42%	0.417	S	S	*	.	S	Bend	trans	-62.5	-5.2	-169.1	43.8	0	0	0	0	116.8
120	D	65.1	Low	85.5	Confident	162 Å²	162	72.4 Å²	72.4	87%	0.866	41%	0.407	S	S	*	.			trans	-114.7	87.8	174.1	-79.7	-32.9	0	0	0	109.7	Q118	Q118-D120 PolarHBondContact O-N 2.81Å
121	S	70.2	Confident	85.5	Confident	12 Å²	12	74 Å²	74	8%	0.084	41%	0.409	C	S	.	.			trans	-110.1	139.6	166.5	-178.9	0	0	0	0	109.7	Q191	S121-Q191 PolarHBondContact O-NE2 3.09Å; S121-Q191 PolarHBondContact O-OE1 3.43Å
122	D	79.1	Confident	85.7	Confident	98 Å²	98	72.7 Å²	72.7	52%	0.524	41%	0.409	S	S	.	.			trans	-71.5	131	178.6	-170.1	-10.3	0	0	0	109.9	L124 E125 V126	D122-L124 PolarHBondContact O-N 3.48Å; D122-L124 PolarHBondContact OD1-N 2.9Å; D122-L124 VanDerWaalsContact OD1-N 3.13Å; D122-E125 HydrophobicContact CB-CG 4.23Å; D122-E125 WeakPolarHBondContact O-CB 3.37Å; D122-E125 PolarHBondContact O-N 2.78Å; D122-V126 PolarHBondContact O-N 3.48Å
123	S	81	Confident	86	Confident	42 Å²	42	72.1 Å²	72.1	29%	0.294	41%	0.407	S	S	.	.	H	α-helix	trans	-51	-31.8	174.5	-173.7	0	0	0	0	112	V126 T127	S123-V126 PolarHBondContact O-N 3.28Å; S123-T127 WeakPolarHBondContact O-CG2 3.34Å; S123-T127 PolarHBondContact O-N 2.95Å; S123-T127 PolarHBondContact O-OG1 3.34Å
124	L	83.5	Confident	86.2	Confident	130 Å²	130	71.3 Å²	71.3	68%	0.681	40%	0.401	S	S	*	.	H	α-helix	trans	-68.6	-34.3	177.8	-132.9	146.6	0	0	0	112.8	D122 T127 A128	D122-L124 PolarHBondContact O-N 3.48Å; D122-L124 PolarHBondContact OD1-N 2.9Å; D122-L124 VanDerWaalsContact OD1-N 3.13Å; L124-T127 WeakPolarHBondContact CA-OG1 3.41Å; L124-T127 PolarHBondContact O-OG1 3.16Å; L124-A128 PolarHBondContact O-N 3.48Å
125	E	88.2	Confident	86.6	Confident	109 Å²	109	71.2 Å²	71.2	51%	0.509	40%	0.398	S	S	.	.	H	α-helix	trans	-71.7	-44.4	173.9	-69.7	-175.3	156.1	0	0	111.2	D122 T127 A128 H129	D122-E125 HydrophobicContact CB-CG 4.23Å; D122-E125 WeakPolarHBondContact O-CB 3.37Å; D122-E125 PolarHBondContact O-N 2.78Å; E125-T127 VanDerWaalsContact C-N 3.3Å; E125-T127 PolarHBondContact O-N 3.12Å; E125-A128 WeakPolarHBondContact O-CB 3.49Å; E125-A128 PolarHBondContact O-N 3.05Å; E125-H129 PolarHBondContact O-CD2 2.99Å; E125-H129 VanDerWaalsContact O-CD2 3.29Å; E125-H129 PolarHBondContact O-N 3.29Å
126	V	89.8	Confident	87	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-61.8	-40.2	179.2	-172.4	0	0	0	0	111.1	D122 S123 A128 H129 V130 F184 L187 I188	D122-V126 PolarHBondContact O-N 3.48Å; S123-V126 PolarHBondContact O-N 3.28Å; V126-A128 VanDerWaalsContact C-N 3.33Å; V126-A128 PolarHBondContact O-N 2.94Å; V126-H129 PolarHBondContact O-N 3.46Å; V126-V130 WeakPolarHBondContact O-CG2 3.41Å; V126-V130 PolarHBondContact O-N 3.38Å; V126-F184 HydrophobicContact CG1-CB 4.03Å; V126-F184 HydrophobicContact CG1-CD1 4.02Å; V126-F184 HydrophobicContact CG1-CG 4.48Å; V126-F184 WeakPolarHBondContact CG1-O 3.41Å; V126-L187 HydrophobicContact CG1-CB 4.12Å; V126-I188 HydrophobicContact CB-CG1 3.98Å; V126-I188 HydrophobicContact CG1-CD1 3.99Å; V126-I188 HydrophobicContact CG1-CG1 3.53Å
127	T	91.5	Very high	87.5	Confident	64 Å²	64	67.2 Å²	67.2	39%	0.393	38%	0.377	S	S	.	.	H	α-helix	trans	-65.5	-34.2	175.2	50.6	0	0	0	0	112.8	S123 L124 E125 V130 K131 I188	S123-T127 WeakPolarHBondContact O-CG2 3.34Å; S123-T127 PolarHBondContact O-N 2.95Å; S123-T127 PolarHBondContact O-OG1 3.34Å; L124-T127 WeakPolarHBondContact CA-OG1 3.41Å; L124-T127 PolarHBondContact O-OG1 3.16Å; E125-T127 VanDerWaalsContact C-N 3.3Å; E125-T127 PolarHBondContact O-N 3.12Å; T127-V130 PolarHBondContact O-N 2.98Å; T127-K131 PolarHBondContact O-N 3.49Å; T127-I188 HydrophobicContact CG2-CD1 3.64Å; T127-I188 HydrophobicContact CG2-CG1 4.34Å
128	A	93.8	Very high	88.1	Confident	50 Å²	50	66.8 Å²	66.8	41%	0.413	36%	0.363	S	S	.	.	H	α-helix	trans	-63.7	-41.2	172.2	0	0	0	0	0	111.6	L124 E125 V126 K131 S132	L124-A128 PolarHBondContact O-N 3.48Å; E125-A128 WeakPolarHBondContact O-CB 3.49Å; E125-A128 PolarHBondContact O-N 3.05Å; V126-A128 VanDerWaalsContact C-N 3.33Å; V126-A128 PolarHBondContact O-N 2.94Å; A128-K131 WeakPolarHBondContact O-CB 3.38Å; A128-K131 PolarHBondContact O-N 3.48Å; A128-S132 PolarHBondContact O-N 2.96Å; A128-S132 PolarHBondContact O-OG 3.21Å
129	H	93.9	Very high	89.1	Confident	28 Å²	28	63.4 Å²	63.4	13%	0.13	35%	0.348	C	S	.	.	H	α-helix	trans	-65.1	-40	175.2	-62.6	-39.3	0	0	0	112.8	L108 E125 V126 K131 S132 T133 F184	L108-H129 HydrophobicContact CD2-CB 4.27Å; E125-H129 PolarHBondContact O-CD2 2.99Å; E125-H129 VanDerWaalsContact O-CD2 3.29Å; E125-H129 PolarHBondContact O-N 3.29Å; V126-H129 PolarHBondContact O-N 3.46Å; H129-K131 VanDerWaalsContact C-N 3.28Å; H129-K131 PolarHBondContact O-N 3.08Å; H129-S132 WeakPolarHBondContact O-CB 3.44Å; H129-S132 PolarHBondContact O-N 2.83Å; H129-T133 WeakPolarHBondContact O-CG2 3.47Å; H129-T133 PolarHBondContact O-N 2.99Å; H129-F184 HydrophobicContact CB-CD1 3.94Å; H129-F184 HydrophobicContact CB-CD2 3.99Å; H129-F184 HydrophobicContact CB-CE1 3.71Å; H129-F184 HydrophobicContact CB-CE2 3.78Å; H129-F184 HydrophobicContact CB-CG 4.07Å; H129-F184 HydrophobicContact CB-CZ 3.63Å; H129-F184 AromaticContact CD2-CE1 3.91Å
130	V	95.1	Very high	90.6	Very high	15 Å²	15	58 Å²	58	9%	0.091	31%	0.31	C	S	.	.	H	α-helix	trans	-56.9	-44.5	171.1	173.4	0	0	0	0	110.5	V126 T127 S132 T133 I134 R181 F184 L185 I188	V126-V130 WeakPolarHBondContact O-CG2 3.41Å; V126-V130 PolarHBondContact O-N 3.38Å; T127-V130 PolarHBondContact O-N 2.98Å; V130-S132 PolarHBondContact O-N 2.98Å; V130-T133 PolarHBondContact O-N 2.9Å; V130-T133 PolarHBondContact O-OG1 2.97Å; V130-I134 HydrophobicContact CG1-CD1 4.43Å; V130-I134 PolarHBondContact O-N 3.32Å; V130-R181 HydrophobicContact CG1-CG 4.33Å; V130-F184 HydrophobicContact CG2-CB 3.53Å; V130-L185 HydrophobicContact CG1-CD2 4.15Å; V130-L185 HydrophobicContact CG1-CG 4.43Å; V130-L185 HydrophobicContact CG2-CD2 4.14Å; V130-L185 HydrophobicContact CG2-CG 4.2Å; V130-I188 HydrophobicContact CG2-CD1 3.83Å
131	K	95.8	Very high	92.1	Very high	134 Å²	134	54.6 Å²	54.6	58%	0.583	29%	0.29	S	S	*	.	H	α-helix	trans	-62	-43.9	177.2	-171.7	176.6	178.7	178.3	0	111.8	T127 A128 H129 T133 I134 D135	T127-K131 PolarHBondContact O-N 3.49Å; A128-K131 WeakPolarHBondContact O-CB 3.38Å; A128-K131 PolarHBondContact O-N 3.48Å; H129-K131 VanDerWaalsContact C-N 3.28Å; H129-K131 PolarHBondContact O-N 3.08Å; K131-T133 VanDerWaalsContact C-N 3.28Å; K131-T133 PolarHBondContact O-N 3.45Å; K131-I134 WeakPolarHBondContact O-CB 3.23Å; K131-I134 PolarHBondContact O-N 3.35Å; K131-D135 PolarHBondContact O-N 3.45Å
132	S	96.5	Very high	93.4	Very high	47 Å²	47	61.2 Å²	61.2	33%	0.329	31%	0.313	S	S	.	.	H	α-helix	trans	-58.8	-37.8	175.6	-59.5	0	0	0	0	112.7	A128 H129 V130 I134 D135 I136	A128-S132 PolarHBondContact O-N 2.96Å; A128-S132 PolarHBondContact O-OG 3.21Å; H129-S132 WeakPolarHBondContact O-CB 3.44Å; H129-S132 PolarHBondContact O-N 2.83Å; V130-S132 PolarHBondContact O-N 2.98Å; S132-I134 VanDerWaalsContact C-N 3.31Å; S132-I134 PolarHBondContact O-N 3.46Å; S132-D135 PolarHBondContact O-N 3.42Å; S132-I136 WeakPolarHBondContact O-CG1 3.46Å; S132-I136 PolarHBondContact O-N 3.22Å
133	T	96.7	Very high	94.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-37.4	174.7	63.1	0	0	0	0	112.5	L108 H129 V130 K131 I136 M137 L180 R181 F184	L108-T133 HydrophobicContact CD1-CG2 3.96Å; H129-T133 WeakPolarHBondContact O-CG2 3.47Å; H129-T133 PolarHBondContact O-N 2.99Å; V130-T133 PolarHBondContact O-N 2.9Å; V130-T133 PolarHBondContact O-OG1 2.97Å; K131-T133 VanDerWaalsContact C-N 3.28Å; K131-T133 PolarHBondContact O-N 3.45Å; T133-I136 PolarHBondContact O-N 3.07Å; T133-M137 VanDerWaalsContact O-CG 3.29Å; T133-M137 WeakPolarHBondContact O-CG 3.46Å; T133-M137 PolarHBondContact O-N 3.06Å; T133-L180 HydrophobicContact CG2-CB 4.13Å; T133-R181 HydrophobicContact CG2-CB 4.19Å; T133-R181 VanDerWaalsContact OG1-CB 3.31Å; T133-R181 WeakPolarHBondContact OG1-CB 3.45Å; T133-R181 WeakPolarHBondContact OG1-CG 3.5Å; T133-F184 HydrophobicContact CG2-CD2 4.12Å; T133-F184 HydrophobicContact CG2-CE2 4.25Å
134	I	97	Very high	95.1	Very high	68 Å²	68	55.9 Å²	55.9	35%	0.349	28%	0.281	S	S	.	.	H	α-helix	trans	-66.3	-44.6	176.2	-63.3	168.3	0	0	0	110.4	V130 K131 S132 I136 M137 E138	V130-I134 HydrophobicContact CG1-CD1 4.43Å; V130-I134 PolarHBondContact O-N 3.32Å; K131-I134 WeakPolarHBondContact O-CB 3.23Å; K131-I134 PolarHBondContact O-N 3.35Å; S132-I134 VanDerWaalsContact C-N 3.31Å; S132-I134 PolarHBondContact O-N 3.46Å; I134-I136 VanDerWaalsContact C-N 3.29Å; I134-I136 PolarHBondContact O-N 2.65Å; I134-M137 PolarHBondContact O-N 3.41Å; I134-E138 PolarHBondContact O-N 3.15Å
135	D	97.4	Very high	95.7	Very high	68 Å²	68	55.6 Å²	55.6	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-61.6	-38.3	178.5	-65.3	-20.9	0	0	0	111.3	K131 S132 E138 Q139	K131-D135 PolarHBondContact O-N 3.45Å; S132-D135 PolarHBondContact O-N 3.42Å; D135-E138 PolarHBondContact O-N 2.9Å; D135-Q139 WeakPolarHBondContact O-CG 3.44Å; D135-Q139 PolarHBondContact O-N 2.64Å
136	I	97.5	Very high	96.1	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-47.6	173.8	-70.5	167.7	0	0	0	110.9	V101 Q104 L105 L108 S132 T133 I134 E138 Q139 C140 A177	V101-I136 HydrophobicContact CG1-CG2 3.84Å; Q104-I136 HydrophobicContact CB-CD1 3.8Å; Q104-I136 HydrophobicContact CB-CG1 4.19Å; L105-I136 HydrophobicContact CD2-CD1 4.25Å; L105-I136 HydrophobicContact CD2-CG2 4.18Å; L105-I136 HydrophobicContact CG-CD1 4.48Å; L105-I136 HydrophobicContact CG-CG2 4.26Å; L108-I136 HydrophobicContact CD1-CD1 3.4Å; L108-I136 HydrophobicContact CG-CD1 4.49Å; S132-I136 WeakPolarHBondContact O-CG1 3.46Å; S132-I136 PolarHBondContact O-N 3.22Å; T133-I136 PolarHBondContact O-N 3.07Å; I134-I136 VanDerWaalsContact C-N 3.29Å; I134-I136 PolarHBondContact O-N 2.65Å; I136-E138 VanDerWaalsContact C-N 3.27Å; I136-E138 PolarHBondContact O-N 3.36Å; I136-Q139 WeakPolarHBondContact O-CB 3.23Å; I136-Q139 PolarHBondContact O-N 2.7Å; I136-Q139 VanDerWaalsContact O-N 3.14Å; I136-C140 PolarHBondContact O-N 3.28Å; I136-C140 PolarHBondContact O-SG 3.38Å; I136-C140 VanDerWaalsContact O-SG 3.41Å; I136-A177 HydrophobicContact CG2-CB 4.17Å
137	M	97.5	Very high	96.4	Very high	35 Å²	35	52.4 Å²	52.4	17%	0.172	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-40.9	178	-69.8	174.3	75.3	0	0	111.7	T133 I134 C140 M141 L174 A177 D178	T133-M137 VanDerWaalsContact O-CG 3.29Å; T133-M137 WeakPolarHBondContact O-CG 3.46Å; T133-M137 PolarHBondContact O-N 3.06Å; I134-M137 PolarHBondContact O-N 3.41Å; M137-C140 WeakPolarHBondContact O-CB 3.47Å; M137-C140 PolarHBondContact O-N 3.49Å; M137-M141 WeakPolarHBondContact O-CG 3.44Å; M137-M141 PolarHBondContact O-N 2.98Å; M137-L174 HydrophobicContact CB-CD2 4.03Å; M137-L174 HydrophobicContact CG-CD2 4.19Å; M137-A177 HydrophobicContact CG-CB 3.7Å; M137-D178 VanDerWaalsContact CE-CG 3.48Å; M137-D178 WeakPolarHBondContact CE-OD1 3.43Å; M137-D178 VanDerWaalsContact SD-OD1 3.36Å
138	E	97.4	Very high	96.4	Very high	93 Å²	93	54.6 Å²	54.6	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-64.8	-41.6	176.4	-170.5	177.7	-176.4	0	0	112	I134 D135 I136 C140 M141 R142	I134-E138 PolarHBondContact O-N 3.15Å; D135-E138 PolarHBondContact O-N 2.9Å; I136-E138 VanDerWaalsContact C-N 3.27Å; I136-E138 PolarHBondContact O-N 3.36Å; E138-C140 VanDerWaalsContact C-N 3.35Å; E138-C140 PolarHBondContact O-N 3.32Å; E138-M141 PolarHBondContact O-N 3.26Å; E138-R142 VanDerWaalsContact CD-NH2 3.35Å; E138-R142 WeakPolarHBondContact O-CG 3.02Å; E138-R142 PolarHBondContact O-N 3.36Å; E138-R142 IonicContact OE1-CZ 2.67Å; E138-R142 IonicContact OE1-NE 2.71Å; E138-R142 PolarHBondContact OE1-NE 3.3Å; E138-R142 IonicContact OE1-NH2 3.33Å; E138-R142 PolarHBondContact OE1-NH2 3.24Å; E138-R142 IonicContact OE2-NH2 3.2Å
139	Q	97.1	Very high	96.4	Very high	59 Å²	59	54.3 Å²	54.3	28%	0.276	27%	0.267	S	S	.	.	H	α-helix	trans	-61.5	-42.1	174.3	-73.4	175.4	51.6	0	0	112.2	V101 D135 I136 R142 T143	V101-Q139 HydrophobicContact CG2-CB 4.42Å; D135-Q139 WeakPolarHBondContact O-CG 3.44Å; D135-Q139 PolarHBondContact O-N 2.64Å; I136-Q139 WeakPolarHBondContact O-CB 3.23Å; I136-Q139 PolarHBondContact O-N 2.7Å; I136-Q139 VanDerWaalsContact O-N 3.14Å; Q139-R142 PolarHBondContact O-N 3.15Å; Q139-T143 WeakPolarHBondContact O-CB 3.45Å; Q139-T143 PolarHBondContact O-N 2.83Å; Q139-T143 PolarHBondContact O-OG1 2.67Å
140	C	97.7	Very high	96.2	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-48	173.6	-71.7	0	0	0	0	111.3	I136 M137 E138 R142 T143 L144 I170 L174	I136-C140 PolarHBondContact O-N 3.28Å; I136-C140 PolarHBondContact O-SG 3.38Å; I136-C140 VanDerWaalsContact O-SG 3.41Å; M137-C140 WeakPolarHBondContact O-CB 3.47Å; M137-C140 PolarHBondContact O-N 3.49Å; E138-C140 VanDerWaalsContact C-N 3.35Å; E138-C140 PolarHBondContact O-N 3.32Å; C140-R142 PolarHBondContact O-N 3.03Å; C140-T143 WeakPolarHBondContact O-CB 3.31Å; C140-T143 PolarHBondContact O-N 2.95Å; C140-T143 VanDerWaalsContact O-N 3.12Å; C140-L144 PolarHBondContact O-N 3.13Å; C140-I170 HydrophobicContact CB-CG2 3.68Å; C140-I170 WeakPolarHBondContact O-CG2 3.23Å; C140-L174 HydrophobicContact CB-CD1 4.23Å; C140-L174 HydrophobicContact CB-CD2 3.62Å; C140-L174 HydrophobicContact CB-CG 3.63Å
141	M	98	Very high	95.5	Very high	90 Å²	90	58.7 Å²	58.7	44%	0.443	28%	0.281	S	S	.	.	H	α-helix	trans	-60.9	-46.5	179.1	-72.3	-57.7	-59.6	0	0	112.4	M137 E138 T143 L144 E145 L174	M137-M141 WeakPolarHBondContact O-CG 3.44Å; M137-M141 PolarHBondContact O-N 2.98Å; E138-M141 PolarHBondContact O-N 3.26Å; M141-T143 PolarHBondContact O-N 3.16Å; M141-L144 PolarHBondContact O-N 3.43Å; M141-L144 VanDerWaalsContact O-N 3.16Å; M141-L144 HydrophobicContact SD-CD1 4.24Å; M141-E145 WeakPolarHBondContact O-CG 3.17Å; M141-E145 PolarHBondContact O-N 2.96Å; M141-L174 HydrophobicContact CG-CD2 4.37Å; M141-L174 HydrophobicContact SD-CD1 3.97Å; M141-L174 HydrophobicContact SD-CD2 4.44Å
142	R	97.8	Very high	94.8	Very high	151 Å²	151	53 Å²	53	57%	0.57	26%	0.257	S	S	*	.	H	α-helix	trans	-60.5	-34.1	175.1	-69.3	175.4	-175.1	-176.2	3	112.3	E138 Q139 C140 L146	E138-R142 VanDerWaalsContact CD-NH2 3.35Å; E138-R142 WeakPolarHBondContact O-CG 3.02Å; E138-R142 PolarHBondContact O-N 3.36Å; E138-R142 IonicContact OE1-CZ 2.67Å; E138-R142 IonicContact OE1-NE 2.71Å; E138-R142 PolarHBondContact OE1-NE 3.3Å; E138-R142 IonicContact OE1-NH2 3.33Å; E138-R142 PolarHBondContact OE1-NH2 3.24Å; E138-R142 IonicContact OE2-NH2 3.2Å; Q139-R142 PolarHBondContact O-N 3.15Å; C140-R142 PolarHBondContact O-N 3.03Å; R142-L146 WeakPolarHBondContact O-CB 3.45Å; R142-L146 PolarHBondContact O-N 3.35Å
143	T	97	Very high	93.8	Very high	6 Å²	6	51.8 Å²	51.8	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-71.9	-38.1	177.1	-56.6	0	0	0	0	111.6	A94 T97 Q139 C140 M141 L146 L147 I170	A94-T143 HydrophobicContact CB-CG2 3.84Å; T97-T143 VanDerWaalsContact CG2-OG1 3.27Å; T97-T143 WeakPolarHBondContact CG2-OG1 3.43Å; Q139-T143 WeakPolarHBondContact O-CB 3.45Å; Q139-T143 PolarHBondContact O-N 2.83Å; Q139-T143 PolarHBondContact O-OG1 2.67Å; C140-T143 WeakPolarHBondContact O-CB 3.31Å; C140-T143 PolarHBondContact O-N 2.95Å; C140-T143 VanDerWaalsContact O-N 3.12Å; M141-T143 PolarHBondContact O-N 3.16Å; T143-L146 WeakPolarHBondContact O-CB 3.15Å; T143-L146 PolarHBondContact O-N 3.07Å; T143-L147 HydrophobicContact CG2-CD1 4.21Å; T143-L147 WeakPolarHBondContact O-CB 3.17Å; T143-L147 VanDerWaalsContact O-CG 3.31Å; T143-L147 WeakPolarHBondContact O-CG 3.38Å; T143-L147 PolarHBondContact O-N 3.42Å; T143-I170 HydrophobicContact CG2-CD1 4.09Å; T143-I170 HydrophobicContact CG2-CG1 4.12Å
144	L	97.9	Very high	92.6	Very high	22 Å²	22	59 Å²	59	12%	0.115	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-44.8	172.6	-71.4	174.5	0	0	0	111.6	C140 M141 L146 L147 D148 V167 I170 Q171 L174	C140-L144 PolarHBondContact O-N 3.13Å; M141-L144 PolarHBondContact O-N 3.43Å; M141-L144 VanDerWaalsContact O-N 3.16Å; M141-L144 HydrophobicContact SD-CD1 4.24Å; L144-L146 VanDerWaalsContact C-N 3.29Å; L144-L146 PolarHBondContact O-N 2.84Å; L144-L147 PolarHBondContact O-N 2.67Å; L144-L147 VanDerWaalsContact O-N 3.15Å; L144-D148 WeakPolarHBondContact O-CB 2.97Å; L144-D148 PolarHBondContact O-N 3.25Å; L144-V167 HydrophobicContact CD2-CB 4.41Å; L144-V167 HydrophobicContact CD2-CG1 4.08Å; L144-V167 HydrophobicContact CD2-CG2 4.34Å; L144-I170 HydrophobicContact CD1-CG2 4.18Å; L144-I170 HydrophobicContact CD2-CB 4.04Å; L144-I170 HydrophobicContact CD2-CG2 3.86Å; L144-I170 HydrophobicContact CG-CB 4.41Å; L144-I170 HydrophobicContact CG-CG2 3.66Å; L144-Q171 HydrophobicContact CD1-CG 4.45Å; L144-Q171 HydrophobicContact CD2-CG 4.44Å; L144-L174 HydrophobicContact CD1-CD1 3.66Å
145	E	96.7	Very high	91.5	Very high	125 Å²	125	58.6 Å²	58.6	58%	0.584	27%	0.274	S	S	*	.	H	α-helix	trans	-59.3	-41.4	174.7	-69.9	173.5	-173.4	0	0	111.8	M141 D148 S149	M141-E145 WeakPolarHBondContact O-CG 3.17Å; M141-E145 PolarHBondContact O-N 2.96Å; E145-D148 PolarHBondContact O-N 2.78Å; E145-S149 PolarHBondContact O-N 2.81Å
146	L	95.8	Very high	90.6	Very high	40 Å²	40	55.9 Å²	55.9	21%	0.209	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-47.5	174.3	-178.3	66.4	0	0	0	111.1	K90 K93 A94 R142 T143 L144 D148 S149 V150	K90-L146 HydrophobicContact CB-CD1 4.19Å; K90-L146 HydrophobicContact CB-CG 4.39Å; K90-L146 HydrophobicContact CD-CD1 4.33Å; K90-L146 HydrophobicContact CG-CD1 3.94Å; K93-L146 HydrophobicContact CB-CD2 4.31Å; K93-L146 HydrophobicContact CD-CD2 4.09Å; K93-L146 HydrophobicContact CG-CD2 4.25Å; A94-L146 HydrophobicContact CB-CD2 4.38Å; R142-L146 WeakPolarHBondContact O-CB 3.45Å; R142-L146 PolarHBondContact O-N 3.35Å; T143-L146 WeakPolarHBondContact O-CB 3.15Å; T143-L146 PolarHBondContact O-N 3.07Å; L144-L146 VanDerWaalsContact C-N 3.29Å; L144-L146 PolarHBondContact O-N 2.84Å; L146-D148 VanDerWaalsContact C-N 3.35Å; L146-D148 PolarHBondContact O-N 3.33Å; L146-S149 WeakPolarHBondContact O-CB 3.48Å; L146-S149 PolarHBondContact O-N 3.09Å; L146-S149 VanDerWaalsContact O-N 3.15Å; L146-S149 PolarHBondContact O-OG 3.47Å; L146-V150 WeakPolarHBondContact O-CG2 3.38Å; L146-V150 PolarHBondContact O-N 3Å
147	L	95.5	Very high	89.9	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-39.9	178.5	-74.3	166	0	0	0	111.9	L91 A94 T143 L144 S149 V150 R163 L166 V167	L91-L147 HydrophobicContact CD2-CD2 4.1Å; A94-L147 HydrophobicContact CB-CD1 4.33Å; A94-L147 HydrophobicContact CB-CD2 3.63Å; A94-L147 HydrophobicContact CB-CG 3.85Å; T143-L147 HydrophobicContact CG2-CD1 4.21Å; T143-L147 WeakPolarHBondContact O-CB 3.17Å; T143-L147 VanDerWaalsContact O-CG 3.31Å; T143-L147 WeakPolarHBondContact O-CG 3.38Å; T143-L147 PolarHBondContact O-N 3.42Å; L144-L147 PolarHBondContact O-N 2.67Å; L144-L147 VanDerWaalsContact O-N 3.15Å; L147-S149 VanDerWaalsContact C-N 3.26Å; L147-S149 PolarHBondContact O-N 3.31Å; L147-V150 WeakPolarHBondContact O-CB 3.39Å; L147-V150 PolarHBondContact O-N 2.68Å; L147-R163 HydrophobicContact CD2-CG 3.96Å; L147-L166 HydrophobicContact CD1-CB 3.96Å; L147-L166 HydrophobicContact CD2-CB 4.11Å; L147-L166 HydrophobicContact CD2-CD1 4.12Å; L147-V167 HydrophobicContact CB-CG2 4.07Å; L147-V167 HydrophobicContact CD1-CG2 3.9Å
148	D	93.4	Very high	89.4	Confident	110 Å²	110	67.3 Å²	67.3	59%	0.588	32%	0.318	S	S	*	.	H	α-helix	trans	-66.8	-28.1	175.3	-81.9	-15.3	0	0	0	112.4	L144 E145 L146 V150 R151	L144-D148 WeakPolarHBondContact O-CB 2.97Å; L144-D148 PolarHBondContact O-N 3.25Å; E145-D148 PolarHBondContact O-N 2.78Å; L146-D148 VanDerWaalsContact C-N 3.35Å; L146-D148 PolarHBondContact O-N 3.33Å; D148-V150 PolarHBondContact O-N 3.26Å; D148-R151 PolarHBondContact O-NH1 3.38Å
149	S	92	Very high	89	Confident	45 Å²	45	65.9 Å²	65.9	32%	0.315	31%	0.311	S	S	.	.	H	α-helix	trans	-72.6	-18	172.5	87.3	0	0	0	0	113	E145 L146 L147 R151	E145-S149 PolarHBondContact O-N 2.81Å; L146-S149 WeakPolarHBondContact O-CB 3.48Å; L146-S149 PolarHBondContact O-N 3.09Å; L146-S149 VanDerWaalsContact O-N 3.15Å; L146-S149 PolarHBondContact O-OG 3.47Å; L147-S149 VanDerWaalsContact C-N 3.26Å; L147-S149 PolarHBondContact O-N 3.31Å; S149-R151 PolarHBondContact O-N 3.31Å
150	V	89.7	Confident	88.6	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	31%	0.311	C	S	.	.			trans	-69	124.7	-175.9	-173.9	0	0	0	0	110.4	E87 K90 L91 L146 L147 D148 L152 R163	E87-V150 HydrophobicContact CB-CG1 4.4Å; E87-V150 WeakPolarHBondContact OE2-CA 3.36Å; E87-V150 WeakPolarHBondContact OE2-CG1 3.43Å; K90-V150 HydrophobicContact CB-CG2 3.79Å; K90-V150 HydrophobicContact CD-CG2 4.12Å; L91-V150 HydrophobicContact CD2-CG1 4.28Å; L91-V150 HydrophobicContact CD2-CG2 4.36Å; L91-V150 HydrophobicContact CG-CG1 4.13Å; L146-V150 WeakPolarHBondContact O-CG2 3.38Å; L146-V150 PolarHBondContact O-N 3Å; L147-V150 WeakPolarHBondContact O-CB 3.39Å; L147-V150 PolarHBondContact O-N 2.68Å; D148-V150 PolarHBondContact O-N 3.26Å; V150-L152 HydrophobicContact CG1-CD1 4.23Å; V150-L152 HydrophobicContact CG1-CD2 3.53Å; V150-L152 HydrophobicContact CG1-CG 3.68Å; V150-R163 PolarHBondContact O-NH1 2.76Å; V150-R163 VanDerWaalsContact O-NH1 3.09Å
151	R	82.2	Confident	88.3	Confident	135 Å²	135	68.5 Å²	68.5	51%	0.509	33%	0.327	S	S	.	.			trans	-110.3	100.6	179.2	-65	-64.7	175.9	-102.9	0.2	110	E87 D148 S149	E87-R151 PolarHBondContact OE2-N 3.2Å; D148-R151 PolarHBondContact O-NH1 3.38Å; S149-R151 PolarHBondContact O-N 3.31Å
152	L	80.9	Confident	88.1	Confident	14 Å²	14	66.1 Å²	66.1	7%	0.073	32%	0.319	C	S	.	.			trans	-104.3	131.1	-179.4	-55.4	175.3	0	0	0	110.9	L83 L91 V150 E159 R160 R163	L83-L152 HydrophobicContact CD1-CD2 3.43Å; L83-L152 VanDerWaalsContact CD1-CD2 3.43Å; L83-L152 HydrophobicContact CD2-CD2 4.42Å; L83-L152 HydrophobicContact CG-CD2 4.47Å; L91-L152 HydrophobicContact CD1-CD1 4.33Å; L91-L152 HydrophobicContact CD1-CD2 4.08Å; V150-L152 HydrophobicContact CG1-CD1 4.23Å; V150-L152 HydrophobicContact CG1-CD2 3.53Å; V150-L152 HydrophobicContact CG1-CG 3.68Å; L152-E159 VanDerWaalsContact CD1-C 3.44Å; L152-E159 HydrophobicContact CD1-CB 3.81Å; L152-E159 WeakPolarHBondContact CD1-O 3.38Å; L152-E159 HydrophobicContact CD2-CB 4.13Å; L152-R160 HydrophobicContact CB-CG 3.81Å; L152-R160 HydrophobicContact CD1-CB 4.37Å; L152-R160 HydrophobicContact CD1-CG 3.81Å; L152-R160 HydrophobicContact CG-CG 4.47Å; L152-R163 HydrophobicContact CD1-CB 4.18Å
153	P	74.3	Confident	87.9	Confident	21 Å²	21	62.4 Å²	62.4	14%	0.136	31%	0.305	C	S	.	.			trans	-53.3	157.7	169.9	-24.7	33.5	0	0	0	112.7	V80 N155 C156 R160	V80-P153 HydrophobicContact CB-CB 3.82Å; V80-P153 HydrophobicContact CB-CG 3.72Å; V80-P153 HydrophobicContact CG1-CG 4Å; V80-P153 HydrophobicContact CG2-CB 3.79Å; V80-P153 HydrophobicContact CG2-CG 3.85Å; P153-N155 VanDerWaalsContact CB-OD1 3.23Å; P153-N155 WeakPolarHBondContact CB-OD1 3.47Å; P153-N155 PolarHBondContact O-N 2.92Å; P153-C156 PolarHBondContact O-N 2.91Å; P153-R160 PolarHBondContact O-NE 3.19Å
154	Y	72.7	Confident	87.9	Confident	153 Å²	153	68.6 Å²	68.6	60%	0.6	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.9	-177.8	-84.8	-89.7	0	0	0	113.8
155	N	74	Confident	87.8	Confident	58 Å²	58	74.6 Å²	74.6	31%	0.31	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.7	-178	63.7	-63.9	0	0	0	113.8	V80 P153 E157	V80-N155 PolarHBondContact N-ND2 3.23Å; V80-N155 PolarHBondContact N-OD1 3.32Å; V80-N155 VanDerWaalsContact N-OD1 3.07Å; V80-N155 PolarHBondContact O-ND2 2.76Å; P153-N155 VanDerWaalsContact CB-OD1 3.23Å; P153-N155 WeakPolarHBondContact CB-OD1 3.47Å; P153-N155 PolarHBondContact O-N 2.92Å; N155-E157 PolarHBondContact O-N 3.49Å; N155-E157 VanDerWaalsContact O-N 3.08Å
156	C	78.6	Confident	87.9	Confident	11 Å²	11	69.3 Å²	69.3	7%	0.074	33%	0.328	C	S	.	.			trans	-84.4	63	174.4	-65.8	0	0	0	0	110.5	P153 N158 E159 R160	P153-C156 PolarHBondContact O-N 2.91Å; C156-N158 PolarHBondContact O-N 2.95Å; C156-E159 VanDerWaalsContact C-OE2 3.32Å; C156-E159 WeakPolarHBondContact CA-OE2 3.43Å; C156-E159 HydrophobicContact CB-CB 4.24Å; C156-E159 HydrophobicContact CB-CG 4.49Å; C156-E159 VanDerWaalsContact CB-OE2 3.28Å; C156-E159 WeakPolarHBondContact CB-OE2 3.29Å; C156-E159 PolarHBondContact O-N 2.95Å; C156-R160 WeakPolarHBondContact O-CB 3.38Å; C156-R160 VanDerWaalsContact O-CG 3.23Å; C156-R160 WeakPolarHBondContact O-CG 3.38Å; C156-R160 PolarHBondContact O-N 3.05Å
157	E	82.4	Confident	88	Confident	148 Å²	148	68.8 Å²	68.8	69%	0.692	33%	0.327	S	S	*	.	H	α-helix	trans	-63.3	-40	-174	-66.6	-164.5	160.1	0	0	112.6	N155 R160 A161	N155-E157 PolarHBondContact O-N 3.49Å; N155-E157 VanDerWaalsContact O-N 3.08Å; E157-R160 PolarHBondContact O-N 2.88Å; E157-A161 VanDerWaalsContact O-CB 3.26Å; E157-A161 WeakPolarHBondContact O-CB 3.41Å; E157-A161 PolarHBondContact O-N 3.49Å
158	N	86.9	Confident	88.1	Confident	131 Å²	131	72 Å²	72	70%	0.701	34%	0.344	S	S	*	.	H	α-helix	trans	-64.1	-45.1	-179.4	-72.9	-27.5	0	0	0	111.7	C156 A161 C162	C156-N158 PolarHBondContact O-N 2.95Å; N158-A161 PolarHBondContact O-N 3.1Å; N158-C162 VanDerWaalsContact O-CB 3.26Å; N158-C162 WeakPolarHBondContact O-CB 3.37Å; N158-C162 PolarHBondContact O-N 3.03Å
159	E	88.6	Confident	88.3	Confident	63 Å²	63	68.9 Å²	68.9	29%	0.294	33%	0.329	S	S	.	.	H	α-helix	trans	-68.9	-38.9	178.8	-63.1	79.1	-176.3	0	0	110.9	L83 L91 L152 C156 C162 R163	L83-E159 HydrophobicContact CD2-CG 4Å; L91-E159 HydrophobicContact CD1-CB 4.01Å; L91-E159 HydrophobicContact CD1-CG 4.42Å; L152-E159 VanDerWaalsContact CD1-C 3.44Å; L152-E159 HydrophobicContact CD1-CB 3.81Å; L152-E159 WeakPolarHBondContact CD1-O 3.38Å; L152-E159 HydrophobicContact CD2-CB 4.13Å; C156-E159 VanDerWaalsContact C-OE2 3.32Å; C156-E159 WeakPolarHBondContact CA-OE2 3.43Å; C156-E159 HydrophobicContact CB-CB 4.24Å; C156-E159 HydrophobicContact CB-CG 4.49Å; C156-E159 VanDerWaalsContact CB-OE2 3.28Å; C156-E159 WeakPolarHBondContact CB-OE2 3.29Å; C156-E159 PolarHBondContact O-N 2.95Å; E159-C162 WeakPolarHBondContact O-CB 3.3Å; E159-C162 PolarHBondContact O-N 3.49Å; E159-R163 WeakPolarHBondContact O-CB 3.28Å; E159-R163 PolarHBondContact O-N 3.06Å
160	R	89.3	Confident	88.6	Confident	75 Å²	75	66.8 Å²	66.8	28%	0.283	31%	0.314	S	S	.	.	H	α-helix	trans	-64.3	-43.6	174.7	-77.8	174.8	145.8	-152.6	-5.5	111.6	L152 P153 C156 E157 C162 R163 K164	L152-R160 HydrophobicContact CB-CG 3.81Å; L152-R160 HydrophobicContact CD1-CB 4.37Å; L152-R160 HydrophobicContact CD1-CG 3.81Å; L152-R160 HydrophobicContact CG-CG 4.47Å; P153-R160 PolarHBondContact O-NE 3.19Å; C156-R160 WeakPolarHBondContact O-CB 3.38Å; C156-R160 VanDerWaalsContact O-CG 3.23Å; C156-R160 WeakPolarHBondContact O-CG 3.38Å; C156-R160 PolarHBondContact O-N 3.05Å; E157-R160 PolarHBondContact O-N 2.88Å; R160-C162 VanDerWaalsContact C-N 3.34Å; R160-R163 PolarHBondContact O-N 3.47Å; R160-K164 WeakPolarHBondContact O-CB 3.37Å; R160-K164 PolarHBondContact O-N 3.4Å
161	A	91.7	Very high	89	Confident	40 Å²	40	71.4 Å²	71.4	33%	0.331	34%	0.336	S	S	.	.	H	α-helix	trans	-65	-39.6	174.2	0	0	0	0	0	111.3	E157 N158 K164 R165	E157-A161 VanDerWaalsContact O-CB 3.26Å; E157-A161 WeakPolarHBondContact O-CB 3.41Å; E157-A161 PolarHBondContact O-N 3.49Å; N158-A161 PolarHBondContact O-N 3.1Å; A161-K164 PolarHBondContact O-N 3.41Å; A161-R165 WeakPolarHBondContact O-CG 3.37Å; A161-R165 PolarHBondContact O-N 3.21Å
162	C	92.7	Very high	89.7	Confident	40 Å²	40	70.6 Å²	70.6	27%	0.27	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-49.9	174.9	-169.4	0	0	0	0	111.6	N158 E159 R160 K164 R165 L166	N158-C162 VanDerWaalsContact O-CB 3.26Å; N158-C162 WeakPolarHBondContact O-CB 3.37Å; N158-C162 PolarHBondContact O-N 3.03Å; E159-C162 WeakPolarHBondContact O-CB 3.3Å; E159-C162 PolarHBondContact O-N 3.49Å; R160-C162 VanDerWaalsContact C-N 3.34Å; C162-K164 VanDerWaalsContact C-N 3.28Å; C162-K164 PolarHBondContact O-N 2.83Å; C162-R165 PolarHBondContact O-N 2.86Å; C162-L166 PolarHBondContact O-N 3.26Å
163	R	94.5	Very high	90.5	Very high	72 Å²	72	70.5 Å²	70.5	27%	0.272	34%	0.336	S	S	.	.	H	α-helix	trans	-55.2	-45.7	174.9	-171.7	-173.4	64.3	170.4	4	111.2	L91 L147 V150 L152 E159 R160 L166 V167	L91-R163 HydrophobicContact CD2-CB 3.81Å; L91-R163 HydrophobicContact CD2-CG 4.09Å; L147-R163 HydrophobicContact CD2-CG 3.96Å; V150-R163 PolarHBondContact O-NH1 2.76Å; V150-R163 VanDerWaalsContact O-NH1 3.09Å; L152-R163 HydrophobicContact CD1-CB 4.18Å; E159-R163 WeakPolarHBondContact O-CB 3.28Å; E159-R163 PolarHBondContact O-N 3.06Å; R160-R163 PolarHBondContact O-N 3.47Å; R163-L166 PolarHBondContact O-N 2.86Å; R163-V167 WeakPolarHBondContact O-CG2 3.42Å; R163-V167 PolarHBondContact O-N 3.2Å
164	K	95.8	Very high	91.7	Very high	136 Å²	136	70.7 Å²	70.7	59%	0.591	34%	0.336	S	S	*	.	H	α-helix	trans	-60.8	-50	178.1	178.3	168.7	178.7	165.7	0	111.6	R160 A161 C162 L166 V167 D168	R160-K164 WeakPolarHBondContact O-CB 3.37Å; R160-K164 PolarHBondContact O-N 3.4Å; A161-K164 PolarHBondContact O-N 3.41Å; C162-K164 VanDerWaalsContact C-N 3.28Å; C162-K164 PolarHBondContact O-N 2.83Å; K164-L166 VanDerWaalsContact C-N 3.29Å; K164-L166 PolarHBondContact O-N 3.45Å; K164-V167 WeakPolarHBondContact O-CB 3.32Å; K164-V167 PolarHBondContact O-N 2.99Å; K164-V167 VanDerWaalsContact O-N 3.12Å; K164-D168 VanDerWaalsContact O-CG 3.3Å; K164-D168 PolarHBondContact O-N 3.33Å
165	R	96.8	Very high	92.9	Very high	148 Å²	148	68.2 Å²	68.2	56%	0.558	34%	0.337	S	S	*	.	H	α-helix	trans	-56.5	-43.9	176.7	-73.7	-171.7	-61.1	-91.9	0.6	111.9	A161 C162 D168 T169	A161-R165 WeakPolarHBondContact O-CG 3.37Å; A161-R165 PolarHBondContact O-N 3.21Å; C162-R165 PolarHBondContact O-N 2.86Å; R165-D168 PolarHBondContact O-N 2.74Å; R165-T169 WeakPolarHBondContact O-CB 3.29Å; R165-T169 PolarHBondContact O-N 2.75Å; R165-T169 PolarHBondContact O-OG1 2.95Å
166	L	97.4	Very high	93.9	Very high	15 Å²	15	69.4 Å²	69.4	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-42.4	176.8	-74.8	169.6	0	0	0	112.1	A94 K95 L147 C162 R163 K164 T169 I170	A94-L166 HydrophobicContact CB-CD1 4.37Å; K95-L166 HydrophobicContact CB-CD1 4.34Å; K95-L166 HydrophobicContact CB-CD2 4.17Å; K95-L166 HydrophobicContact CG-CD2 4.33Å; L147-L166 HydrophobicContact CD1-CB 3.96Å; L147-L166 HydrophobicContact CD2-CB 4.11Å; L147-L166 HydrophobicContact CD2-CD1 4.12Å; C162-L166 PolarHBondContact O-N 3.26Å; R163-L166 PolarHBondContact O-N 2.86Å; K164-L166 VanDerWaalsContact C-N 3.29Å; K164-L166 PolarHBondContact O-N 3.45Å; L166-T169 PolarHBondContact O-N 2.88Å; L166-I170 WeakPolarHBondContact O-CB 3.47Å; L166-I170 VanDerWaalsContact O-CG1 3.24Å; L166-I170 WeakPolarHBondContact O-CG1 3.36Å; L166-I170 PolarHBondContact O-N 3.47Å
167	V	98.1	Very high	94.8	Very high	29 Å²	29	68.9 Å²	68.9	18%	0.176	34%	0.337	C	S	.	.	H	α-helix	trans	-59.2	-48.9	174.9	169.1	0	0	0	0	110.7	L144 L147 R163 K164 T169 I170 Q171	L144-V167 HydrophobicContact CD2-CB 4.41Å; L144-V167 HydrophobicContact CD2-CG1 4.08Å; L144-V167 HydrophobicContact CD2-CG2 4.34Å; L147-V167 HydrophobicContact CB-CG2 4.07Å; L147-V167 HydrophobicContact CD1-CG2 3.9Å; R163-V167 WeakPolarHBondContact O-CG2 3.42Å; R163-V167 PolarHBondContact O-N 3.2Å; K164-V167 WeakPolarHBondContact O-CB 3.32Å; K164-V167 PolarHBondContact O-N 2.99Å; K164-V167 VanDerWaalsContact O-N 3.12Å; V167-T169 VanDerWaalsContact C-N 3.34Å; V167-T169 PolarHBondContact O-N 2.81Å; V167-I170 PolarHBondContact O-N 2.74Å; V167-Q171 HydrophobicContact CG1-CG 4.47Å; V167-Q171 WeakPolarHBondContact O-CB 3.48Å; V167-Q171 VanDerWaalsContact O-CG 3.29Å; V167-Q171 WeakPolarHBondContact O-CG 3.49Å; V167-Q171 PolarHBondContact O-N 2.84Å
168	D	98.1	Very high	95.6	Very high	68 Å²	68	65.6 Å²	65.6	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-60	-45.5	-180	-61.3	-25	0	0	0	110.4	K164 R165 Q171 E172	K164-D168 VanDerWaalsContact O-CG 3.3Å; K164-D168 PolarHBondContact O-N 3.33Å; R165-D168 PolarHBondContact O-N 2.74Å; D168-Q171 PolarHBondContact O-N 3.07Å; D168-E172 WeakPolarHBondContact O-CG 3.43Å; D168-E172 PolarHBondContact O-N 2.93Å
169	T	97.8	Very high	96	Very high	45 Å²	45	66.3 Å²	66.3	28%	0.276	32%	0.321	S	S	.	.	H	α-helix	trans	-62.7	-45.5	177	-60.8	0	0	0	0	113	R165 L166 V167 Q171 E172 F173	R165-T169 WeakPolarHBondContact O-CB 3.29Å; R165-T169 PolarHBondContact O-N 2.75Å; R165-T169 PolarHBondContact O-OG1 2.95Å; L166-T169 PolarHBondContact O-N 2.88Å; V167-T169 VanDerWaalsContact C-N 3.34Å; V167-T169 PolarHBondContact O-N 2.81Å; T169-Q171 VanDerWaalsContact C-N 3.28Å; T169-Q171 PolarHBondContact O-N 3.42Å; T169-E172 WeakPolarHBondContact O-CB 3.43Å; T169-E172 PolarHBondContact O-N 2.77Å; T169-F173 HydrophobicContact CG2-CD2 4.3Å; T169-F173 HydrophobicContact CG2-CE1 4.07Å; T169-F173 HydrophobicContact CG2-CE2 3.64Å; T169-F173 HydrophobicContact CG2-CZ 3.48Å; T169-F173 VanDerWaalsContact CG2-CZ 3.48Å; T169-F173 WeakPolarHBondContact O-CG 3.5Å; T169-F173 PolarHBondContact O-N 2.88Å
170	I	98.1	Very high	96.3	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.9	-34	178.6	-65.5	-64.4	0	0	0	111.2	C140 T143 L144 L166 V167 F173 L174	C140-I170 HydrophobicContact CB-CG2 3.68Å; C140-I170 WeakPolarHBondContact O-CG2 3.23Å; T143-I170 HydrophobicContact CG2-CD1 4.09Å; T143-I170 HydrophobicContact CG2-CG1 4.12Å; L144-I170 HydrophobicContact CD1-CG2 4.18Å; L144-I170 HydrophobicContact CD2-CB 4.04Å; L144-I170 HydrophobicContact CD2-CG2 3.86Å; L144-I170 HydrophobicContact CG-CB 4.41Å; L144-I170 HydrophobicContact CG-CG2 3.66Å; L166-I170 WeakPolarHBondContact O-CB 3.47Å; L166-I170 VanDerWaalsContact O-CG1 3.24Å; L166-I170 WeakPolarHBondContact O-CG1 3.36Å; L166-I170 PolarHBondContact O-N 3.47Å; V167-I170 PolarHBondContact O-N 2.74Å; I170-F173 HydrophobicContact CD1-CD2 3.95Å; I170-F173 HydrophobicContact CD1-CE2 4.33Å; I170-F173 WeakPolarHBondContact O-CB 3.38Å; I170-F173 PolarHBondContact O-N 3.36Å; I170-L174 PolarHBondContact O-N 3.32Å
171	Q	97.9	Very high	96.6	Very high	98 Å²	98	64.2 Å²	64.2	46%	0.458	31%	0.312	S	S	.	.	H	α-helix	trans	-66.2	-39.6	173.5	-73.8	177.5	-6	0	0	112	L144 V167 D168 T169 F173 L174 V175	L144-Q171 HydrophobicContact CD1-CG 4.45Å; L144-Q171 HydrophobicContact CD2-CG 4.44Å; V167-Q171 HydrophobicContact CG1-CG 4.47Å; V167-Q171 WeakPolarHBondContact O-CB 3.48Å; V167-Q171 VanDerWaalsContact O-CG 3.29Å; V167-Q171 WeakPolarHBondContact O-CG 3.49Å; V167-Q171 PolarHBondContact O-N 2.84Å; D168-Q171 PolarHBondContact O-N 3.07Å; T169-Q171 VanDerWaalsContact C-N 3.28Å; T169-Q171 PolarHBondContact O-N 3.42Å; Q171-F173 VanDerWaalsContact C-N 3.32Å; Q171-F173 PolarHBondContact O-N 3.32Å; Q171-L174 WeakPolarHBondContact O-CB 3.47Å; Q171-L174 PolarHBondContact O-N 3.29Å; Q171-V175 WeakPolarHBondContact O-CG2 3.39Å; Q171-V175 PolarHBondContact O-N 3.26Å
172	E	97.9	Very high	96.8	Very high	117 Å²	117	64.3 Å²	64.3	55%	0.547	31%	0.312	S	S	.	.	H	α-helix	trans	-60.9	-41.9	172	-71.8	173.7	-175.3	0	0	111.5	D168 T169 L174 V175 Q176	D168-E172 WeakPolarHBondContact O-CG 3.43Å; D168-E172 PolarHBondContact O-N 2.93Å; T169-E172 WeakPolarHBondContact O-CB 3.43Å; T169-E172 PolarHBondContact O-N 2.77Å; E172-L174 PolarHBondContact O-N 3.31Å; E172-V175 PolarHBondContact O-N 3.15Å; E172-Q176 WeakPolarHBondContact O-CG 3.49Å; E172-Q176 PolarHBondContact O-N 2.88Å
173	F	97.8	Very high	96.8	Very high	12 Å²	12	65.3 Å²	65.3	5%	0.053	31%	0.313	C	S	.	.	H	α-helix	trans	-62.2	-38.9	175.2	-66.4	-20.3	0	0	0	113.3	S98 V101 D102 L105 T169 I170 Q171 V175 Q176 A177	S98-F173 WeakPolarHBondContact O-CE2 3.35Å; S98-F173 WeakPolarHBondContact OG-CE2 3.32Å; V101-F173 HydrophobicContact CB-CD2 4.09Å; V101-F173 HydrophobicContact CB-CE2 4.38Å; V101-F173 HydrophobicContact CG1-CB 3.92Å; V101-F173 HydrophobicContact CG1-CD2 3.47Å; V101-F173 VanDerWaalsContact CG1-CD2 3.47Å; V101-F173 HydrophobicContact CG1-CE2 4.16Å; V101-F173 HydrophobicContact CG1-CG 3.85Å; D102-F173 HydrophobicContact CB-CE1 4.19Å; D102-F173 HydrophobicContact CB-CE2 4.26Å; D102-F173 HydrophobicContact CB-CZ 3.64Å; L105-F173 HydrophobicContact CD1-CB 3.6Å; L105-F173 HydrophobicContact CD1-CD1 3.63Å; L105-F173 HydrophobicContact CD1-CE1 4.5Å; L105-F173 HydrophobicContact CD1-CG 3.72Å; T169-F173 HydrophobicContact CG2-CD2 4.3Å; T169-F173 HydrophobicContact CG2-CE1 4.07Å; T169-F173 HydrophobicContact CG2-CE2 3.64Å; T169-F173 HydrophobicContact CG2-CZ 3.48Å; T169-F173 VanDerWaalsContact CG2-CZ 3.48Å; T169-F173 WeakPolarHBondContact O-CG 3.5Å; T169-F173 PolarHBondContact O-N 2.88Å; I170-F173 HydrophobicContact CD1-CD2 3.95Å; I170-F173 HydrophobicContact CD1-CE2 4.33Å; I170-F173 WeakPolarHBondContact O-CB 3.38Å; I170-F173 PolarHBondContact O-N 3.36Å; Q171-F173 VanDerWaalsContact C-N 3.32Å; Q171-F173 PolarHBondContact O-N 3.32Å; F173-V175 VanDerWaalsContact C-N 3.33Å; F173-V175 PolarHBondContact O-N 3.18Å; F173-Q176 PolarHBondContact O-N 3.35Å; F173-A177 WeakPolarHBondContact O-CB 3.15Å; F173-A177 PolarHBondContact O-N 2.86Å
174	L	97.9	Very high	96.7	Very high	25 Å²	25	61.9 Å²	61.9	13%	0.131	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-45.5	173.3	-79.9	165.5	0	0	0	111.6	M137 C140 M141 L144 I170 Q171 E172 Q176 A177 D178	M137-L174 HydrophobicContact CB-CD2 4.03Å; M137-L174 HydrophobicContact CG-CD2 4.19Å; C140-L174 HydrophobicContact CB-CD1 4.23Å; C140-L174 HydrophobicContact CB-CD2 3.62Å; C140-L174 HydrophobicContact CB-CG 3.63Å; M141-L174 HydrophobicContact CG-CD2 4.37Å; M141-L174 HydrophobicContact SD-CD1 3.97Å; M141-L174 HydrophobicContact SD-CD2 4.44Å; L144-L174 HydrophobicContact CD1-CD1 3.66Å; I170-L174 PolarHBondContact O-N 3.32Å; Q171-L174 WeakPolarHBondContact O-CB 3.47Å; Q171-L174 PolarHBondContact O-N 3.29Å; E172-L174 PolarHBondContact O-N 3.31Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; L174-Q176 PolarHBondContact O-N 2.8Å; L174-A177 PolarHBondContact O-N 3.04Å; L174-D178 WeakPolarHBondContact O-CB 3.29Å; L174-D178 PolarHBondContact O-N 2.85Å
175	V	97.8	Very high	96.5	Very high	101 Å²	101	58.5 Å²	58.5	61%	0.612	29%	0.288	S	S	*	.	H	α-helix	trans	-63.4	-41.8	177.9	175.6	0	0	0	0	111.2	Q171 E172 F173 K179	Q171-V175 WeakPolarHBondContact O-CG2 3.39Å; Q171-V175 PolarHBondContact O-N 3.26Å; E172-V175 PolarHBondContact O-N 3.15Å; F173-V175 VanDerWaalsContact C-N 3.33Å; F173-V175 PolarHBondContact O-N 3.18Å; V175-K179 WeakPolarHBondContact O-CB 3.11Å; V175-K179 PolarHBondContact O-N 3.14Å
176	Q	96.9	Very high	96.2	Very high	83 Å²	83	56.6 Å²	56.6	39%	0.388	28%	0.284	S	S	.	.	H	α-helix	trans	-64.9	-45.3	177	-69.8	177.3	26.9	0	0	111.8	L105 E172 F173 L174 D178 K179 L180	L105-Q176 HydrophobicContact CD1-CB 4.25Å; L105-Q176 HydrophobicContact CD2-CB 4.47Å; E172-Q176 WeakPolarHBondContact O-CG 3.49Å; E172-Q176 PolarHBondContact O-N 2.88Å; F173-Q176 PolarHBondContact O-N 3.35Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; L174-Q176 PolarHBondContact O-N 2.8Å; Q176-D178 PolarHBondContact O-N 2.87Å; Q176-K179 PolarHBondContact O-N 2.84Å; Q176-L180 PolarHBondContact O-N 2.86Å
177	A	97.3	Very high	95.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-44.6	176.9	0	0	0	0	0	111.6	L105 I136 M137 F173 L174 K179 L180 R181	L105-A177 HydrophobicContact CD2-CB 3.96Å; I136-A177 HydrophobicContact CG2-CB 4.17Å; M137-A177 HydrophobicContact CG-CB 3.7Å; F173-A177 WeakPolarHBondContact O-CB 3.15Å; F173-A177 PolarHBondContact O-N 2.86Å; L174-A177 PolarHBondContact O-N 3.04Å; A177-K179 VanDerWaalsContact C-N 3.34Å; A177-K179 PolarHBondContact O-N 2.77Å; A177-L180 PolarHBondContact O-N 3.3Å; A177-R181 VanDerWaalsContact O-CB 3.29Å; A177-R181 WeakPolarHBondContact O-CB 3.42Å; A177-R181 PolarHBondContact O-N 2.85Å
178	D	97.3	Very high	95.1	Very high	80 Å²	80	57.2 Å²	57.2	43%	0.428	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-41	176.2	-97.1	-27.1	0	0	0	112.1	M137 L174 Q176 R181 A182	M137-D178 VanDerWaalsContact CE-CG 3.48Å; M137-D178 WeakPolarHBondContact CE-OD1 3.43Å; M137-D178 VanDerWaalsContact SD-OD1 3.36Å; L174-D178 WeakPolarHBondContact O-CB 3.29Å; L174-D178 PolarHBondContact O-N 2.85Å; Q176-D178 PolarHBondContact O-N 2.87Å; D178-R181 PolarHBondContact O-N 3.22Å; D178-A182 PolarHBondContact O-N 2.93Å
179	K	96.6	Very high	94.4	Very high	146 Å²	146	61.7 Å²	61.7	64%	0.635	30%	0.302	S	S	*	.	H	α-helix	trans	-65.1	-48.3	176.6	-171.2	-177.8	177.2	-171.7	0	111.6	V175 Q176 A177 R181 A182 E183	V175-K179 WeakPolarHBondContact O-CB 3.11Å; V175-K179 PolarHBondContact O-N 3.14Å; Q176-K179 PolarHBondContact O-N 2.84Å; A177-K179 VanDerWaalsContact C-N 3.34Å; A177-K179 PolarHBondContact O-N 2.77Å; K179-R181 VanDerWaalsContact C-N 3.3Å; K179-R181 PolarHBondContact O-N 2.93Å; K179-A182 WeakPolarHBondContact O-CB 3.48Å; K179-A182 PolarHBondContact O-N 3.24Å; K179-A182 VanDerWaalsContact O-N 3.16Å; K179-E183 PolarHBondContact O-N 3.06Å; K179-E183 VanDerWaalsContact O-N 3.08Å
180	L	95.4	Very high	93.3	Very high	14 Å²	14	65.2 Å²	65.2	7%	0.073	32%	0.324	C	S	.	.	H	α-helix	trans	-58.2	-44.9	176.4	-77.2	171.1	0	0	0	111.1	L105 L108 L112 T133 Q176 A177 A182 E183 F184	L105-L180 HydrophobicContact CD2-CD1 3.78Å; L108-L180 HydrophobicContact CB-CD1 4.21Å; L112-L180 HydrophobicContact CB-CD2 4.46Å; L112-L180 HydrophobicContact CD2-CD2 3.68Å; T133-L180 HydrophobicContact CG2-CB 4.13Å; Q176-L180 PolarHBondContact O-N 2.86Å; A177-L180 PolarHBondContact O-N 3.3Å; L180-A182 VanDerWaalsContact C-N 3.29Å; L180-A182 PolarHBondContact O-N 2.7Å; L180-E183 PolarHBondContact O-N 3.36Å; L180-E183 VanDerWaalsContact O-N 3.14Å; L180-F184 HydrophobicContact CB-CE2 4.38Å; L180-F184 WeakPolarHBondContact O-CD2 3.42Å; L180-F184 PolarHBondContact O-N 3.36Å
181	R	95.4	Very high	91.7	Very high	80 Å²	80	69.6 Å²	69.6	30%	0.302	34%	0.344	S	S	.	.	H	α-helix	trans	-57.5	-44.3	176.4	-174.9	176.4	170	-167.1	-1.5	111.7	V130 T133 A177 D178 K179 E183 F184 L185	V130-R181 HydrophobicContact CG1-CG 4.33Å; T133-R181 HydrophobicContact CG2-CB 4.19Å; T133-R181 VanDerWaalsContact OG1-CB 3.31Å; T133-R181 WeakPolarHBondContact OG1-CB 3.45Å; T133-R181 WeakPolarHBondContact OG1-CG 3.5Å; A177-R181 VanDerWaalsContact O-CB 3.29Å; A177-R181 WeakPolarHBondContact O-CB 3.42Å; A177-R181 PolarHBondContact O-N 2.85Å; D178-R181 PolarHBondContact O-N 3.22Å; K179-R181 VanDerWaalsContact C-N 3.3Å; K179-R181 PolarHBondContact O-N 2.93Å; R181-E183 VanDerWaalsContact C-N 3.33Å; R181-E183 PolarHBondContact O-N 3.24Å; R181-F184 PolarHBondContact O-N 3.11Å; R181-L185 HydrophobicContact CG-CD1 4.04Å; R181-L185 HydrophobicContact CG-CG 4.47Å; R181-L185 WeakPolarHBondContact O-CB 3.49Å; R181-L185 VanDerWaalsContact O-CG 3.28Å; R181-L185 WeakPolarHBondContact O-CG 3.47Å; R181-L185 PolarHBondContact O-N 2.81Å
182	A	95.1	Very high	89.6	Confident	42 Å²	42	74.8 Å²	74.8	35%	0.347	37%	0.368	S	S	.	.	H	α-helix	trans	-62.3	-39.5	177.9	0	0	0	0	0	112.1	D178 K179 L180 L185 K186	D178-A182 PolarHBondContact O-N 2.93Å; K179-A182 WeakPolarHBondContact O-CB 3.48Å; K179-A182 PolarHBondContact O-N 3.24Å; K179-A182 VanDerWaalsContact O-N 3.16Å; L180-A182 VanDerWaalsContact C-N 3.29Å; L180-A182 PolarHBondContact O-N 2.7Å; A182-L185 PolarHBondContact O-N 3.18Å; A182-K186 WeakPolarHBondContact O-CG 2.97Å; A182-K186 PolarHBondContact O-N 2.91Å; A182-K186 VanDerWaalsContact O-N 3.07Å
183	E	93.5	Very high	89.2	Confident	60 Å²	60	72.7 Å²	72.7	28%	0.28	36%	0.359	S	S	.	.	H	α-helix	trans	-67	-46.4	176	-63.3	-51.9	142.1	0	0	112.1	L112 K179 L180 R181 L185 K186 L187	L112-E183 HydrophobicContact CD1-CB 4.08Å; L112-E183 HydrophobicContact CD2-CB 3.71Å; L112-E183 HydrophobicContact CD2-CG 4.14Å; K179-E183 PolarHBondContact O-N 3.06Å; K179-E183 VanDerWaalsContact O-N 3.08Å; L180-E183 PolarHBondContact O-N 3.36Å; L180-E183 VanDerWaalsContact O-N 3.14Å; R181-E183 VanDerWaalsContact C-N 3.33Å; R181-E183 PolarHBondContact O-N 3.24Å; E183-L185 VanDerWaalsContact C-N 3.3Å; E183-L185 PolarHBondContact O-N 3.32Å; E183-K186 VanDerWaalsContact CD-NZ 3.32Å; E183-K186 WeakPolarHBondContact O-CB 3.41Å; E183-K186 PolarHBondContact O-N 2.64Å; E183-K186 VanDerWaalsContact O-N 3.09Å; E183-K186 IonicContact OE1-NZ 2.78Å; E183-K186 PolarHBondContact OE1-NZ 2.93Å; E183-K186 WeakPolarHBondContact OE2-CD 3.07Å; E183-K186 IonicContact OE2-NZ 2.67Å; E183-K186 PolarHBondContact OE2-NZ 2.81Å; E183-L187 PolarHBondContact O-N 3.08Å; E183-L187 VanDerWaalsContact O-N 3.11Å
184	F	92.3	Very high	88.7	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-60.4	-39.6	174.9	-71.3	-57.9	0	0	0	112.5	L112 I115 V126 H129 V130 T133 L180 R181 K186 L187 I188	L112-F184 HydrophobicContact CB-CE1 3.91Å; L112-F184 HydrophobicContact CB-CZ 3.77Å; L112-F184 HydrophobicContact CD1-CD1 3.78Å; L112-F184 HydrophobicContact CD1-CE1 3.65Å; L112-F184 HydrophobicContact CD1-CG 4.43Å; L112-F184 HydrophobicContact CD1-CZ 4.19Å; L112-F184 HydrophobicContact CG-CE1 4.38Å; I115-F184 HydrophobicContact CD1-CE1 4.24Å; V126-F184 HydrophobicContact CG1-CB 4.03Å; V126-F184 HydrophobicContact CG1-CD1 4.02Å; V126-F184 HydrophobicContact CG1-CG 4.48Å; V126-F184 WeakPolarHBondContact CG1-O 3.41Å; H129-F184 HydrophobicContact CB-CD1 3.94Å; H129-F184 HydrophobicContact CB-CD2 3.99Å; H129-F184 HydrophobicContact CB-CE1 3.71Å; H129-F184 HydrophobicContact CB-CE2 3.78Å; H129-F184 HydrophobicContact CB-CG 4.07Å; H129-F184 HydrophobicContact CB-CZ 3.63Å; H129-F184 AromaticContact CD2-CE1 3.91Å; V130-F184 HydrophobicContact CG2-CB 3.53Å; T133-F184 HydrophobicContact CG2-CD2 4.12Å; T133-F184 HydrophobicContact CG2-CE2 4.25Å; L180-F184 HydrophobicContact CB-CE2 4.38Å; L180-F184 WeakPolarHBondContact O-CD2 3.42Å; L180-F184 PolarHBondContact O-N 3.36Å; R181-F184 PolarHBondContact O-N 3.11Å; F184-K186 VanDerWaalsContact C-N 3.3Å; F184-K186 PolarHBondContact O-N 3.44Å; F184-L187 HydrophobicContact CD1-CD1 4.35Å; F184-L187 WeakPolarHBondContact O-CB 3.42Å; F184-L187 PolarHBondContact O-N 3.33Å; F184-I188 WeakPolarHBondContact O-CG1 3.43Å; F184-I188 PolarHBondContact O-N 3.44Å; F184-I188 VanDerWaalsContact O-N 3.15Å
185	L	91.7	Very high	88.2	Confident	66 Å²	66	78.7 Å²	78.7	35%	0.346	39%	0.389	S	S	.	.	H	α-helix	trans	-65.8	-31.1	175.8	-75.6	172.2	0	0	0	113	V130 R181 A182 E183 I188 K189	V130-L185 HydrophobicContact CG1-CD2 4.15Å; V130-L185 HydrophobicContact CG1-CG 4.43Å; V130-L185 HydrophobicContact CG2-CD2 4.14Å; V130-L185 HydrophobicContact CG2-CG 4.2Å; R181-L185 HydrophobicContact CG-CD1 4.04Å; R181-L185 HydrophobicContact CG-CG 4.47Å; R181-L185 WeakPolarHBondContact O-CB 3.49Å; R181-L185 VanDerWaalsContact O-CG 3.28Å; R181-L185 WeakPolarHBondContact O-CG 3.47Å; R181-L185 PolarHBondContact O-N 2.81Å; A182-L185 PolarHBondContact O-N 3.18Å; E183-L185 VanDerWaalsContact C-N 3.3Å; E183-L185 PolarHBondContact O-N 3.32Å; L185-I188 HydrophobicContact CD2-CD1 4.42Å; L185-K189 WeakPolarHBondContact O-CG 3.47Å; L185-K189 PolarHBondContact O-N 3.36Å
186	K	90.4	Very high	87.7	Confident	107 Å²	107	77.4 Å²	77.4	47%	0.465	38%	0.376	S	S	.	.	H	α-helix	trans	-66.7	-44.5	172.8	-71.9	168.7	-168.9	169.3	0	110.7	A182 E183 F184 I188 K189 T190	A182-K186 WeakPolarHBondContact O-CG 2.97Å; A182-K186 PolarHBondContact O-N 2.91Å; A182-K186 VanDerWaalsContact O-N 3.07Å; E183-K186 VanDerWaalsContact CD-NZ 3.32Å; E183-K186 WeakPolarHBondContact O-CB 3.41Å; E183-K186 PolarHBondContact O-N 2.64Å; E183-K186 VanDerWaalsContact O-N 3.09Å; E183-K186 IonicContact OE1-NZ 2.78Å; E183-K186 PolarHBondContact OE1-NZ 2.93Å; E183-K186 WeakPolarHBondContact OE2-CD 3.07Å; E183-K186 IonicContact OE2-NZ 2.67Å; E183-K186 PolarHBondContact OE2-NZ 2.81Å; F184-K186 VanDerWaalsContact C-N 3.3Å; F184-K186 PolarHBondContact O-N 3.44Å; K186-I188 VanDerWaalsContact C-N 3.31Å; K186-I188 PolarHBondContact O-N 3.15Å; K186-K189 WeakPolarHBondContact O-CB 3.38Å; K186-K189 PolarHBondContact O-N 3.42Å; K186-T190 PolarHBondContact O-N 3.09Å; K186-T190 PolarHBondContact O-OG1 3.47Å
187	L	87.7	Confident	87.1	Confident	35 Å²	35	77 Å²	77	18%	0.183	38%	0.375	C	S	.	.	H	α-helix	trans	-57.7	-43	178.4	-68.7	172.4	0	0	0	112.1	L112 I115 L116 V126 E183 F184 K189 T190 Q191	L112-L187 HydrophobicContact CD1-CD1 3.67Å; I115-L187 HydrophobicContact CG2-CD1 3.81Å; L116-L187 HydrophobicContact CD2-CD2 3.95Å; V126-L187 HydrophobicContact CG1-CB 4.12Å; E183-L187 PolarHBondContact O-N 3.08Å; E183-L187 VanDerWaalsContact O-N 3.11Å; F184-L187 HydrophobicContact CD1-CD1 4.35Å; F184-L187 WeakPolarHBondContact O-CB 3.42Å; F184-L187 PolarHBondContact O-N 3.33Å; L187-K189 VanDerWaalsContact C-N 3.3Å; L187-K189 PolarHBondContact O-N 3.46Å; L187-T190 PolarHBondContact O-N 3.46Å; L187-Q191 PolarHBondContact O-N 2.92Å
188	I	85.2	Confident	86.4	Confident	23 Å²	23	82.1 Å²	82.1	12%	0.118	40%	0.4	C	S	.	.	H	α-helix	trans	-59.7	-42	175.7	-65.3	166.9	0	0	0	111.3	V126 T127 V130 F184 L185 K186 T190 Q191	V126-I188 HydrophobicContact CB-CG1 3.98Å; V126-I188 HydrophobicContact CG1-CD1 3.99Å; V126-I188 HydrophobicContact CG1-CG1 3.53Å; T127-I188 HydrophobicContact CG2-CD1 3.64Å; T127-I188 HydrophobicContact CG2-CG1 4.34Å; V130-I188 HydrophobicContact CG2-CD1 3.83Å; F184-I188 WeakPolarHBondContact O-CG1 3.43Å; F184-I188 PolarHBondContact O-N 3.44Å; F184-I188 VanDerWaalsContact O-N 3.15Å; L185-I188 HydrophobicContact CD2-CD1 4.42Å; K186-I188 VanDerWaalsContact C-N 3.31Å; K186-I188 PolarHBondContact O-N 3.15Å; I188-T190 VanDerWaalsContact C-N 3.31Å; I188-T190 PolarHBondContact O-N 3.09Å; I188-Q191 PolarHBondContact O-N 2.98Å
189	K	82.4	Confident	85.6	Confident	162 Å²	162	82.3 Å²	82.3	70%	0.704	40%	0.398	S	S	*	.	H	α-helix	trans	-70.6	-25.8	-179.9	-70.9	177.6	-178.3	-178.9	0	113.4	L185 K186 L187 Q191	L185-K189 WeakPolarHBondContact O-CG 3.47Å; L185-K189 PolarHBondContact O-N 3.36Å; K186-K189 WeakPolarHBondContact O-CB 3.38Å; K186-K189 PolarHBondContact O-N 3.42Å; L187-K189 VanDerWaalsContact C-N 3.3Å; L187-K189 PolarHBondContact O-N 3.46Å; K189-Q191 VanDerWaalsContact C-N 3.35Å
190	T	74.8	Confident	84.8	Confident	118 Å²	118	77.4 Å²	77.4	72%	0.724	38%	0.38	S	S	*	.	H	α-helix	trans	-80.8	-19.4	178.2	-47.2	0	0	0	0	112.2	K186 L187 I188	K186-T190 PolarHBondContact O-N 3.09Å; K186-T190 PolarHBondContact O-OG1 3.47Å; L187-T190 PolarHBondContact O-N 3.46Å; I188-T190 VanDerWaalsContact C-N 3.31Å; I188-T190 PolarHBondContact O-N 3.09Å
191	Q	64.6	Low	83.9	Confident	92 Å²	92	82.7 Å²	82.7	43%	0.43	41%	0.406	S	S	.	.			trans	-96.1	-1.3	179.3	-69.8	-164.4	-17.9	0	0	115	S121 L187 I188 K189	S121-Q191 PolarHBondContact O-NE2 3.09Å; S121-Q191 PolarHBondContact O-OE1 3.43Å; L187-Q191 PolarHBondContact O-N 2.92Å; I188-Q191 PolarHBondContact O-N 2.98Å; K189-Q191 VanDerWaalsContact C-N 3.35Å
192	Q	53.5	Low	82.8	Confident	207 Å²	207	82.9 Å²	82.9	97%	0.967	42%	0.415	S	S	*	.			trans	-101.6	0	172.9	-73.6	-173.8	-9.5	0	0	111.2

Retrieved 192 of 192 residues in 156.8 ms (Link to these results)

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