A0A077ZG95_TRITR Loading...

adenylate cyclase

AlphaFold DB , UniProt , Accession A0A077ZG95, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 200 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	56.7	Low	53.5	Low	16 Å²	16	39.5 Å²	39.5	8%	0.079	21%	0.213	C	C	.	.				0	121.2	0	163.8	62.9	120.3	0	0	108.7	V24 S25 H34 A35 C38 I66 T68 G69 T111	M1-V24 WeakPolarHBondContact O-CG1 3.42Å; M1-S25 VanDerWaalsContact CB-O 3.31Å; M1-S25 WeakPolarHBondContact CB-O 3.46Å; M1-S25 PolarHBondContact O-N 3.05Å; M1-S25 VanDerWaalsContact O-N 3.11Å; M1-S25 VanDerWaalsContact O-O 3.06Å; M1-H34 HydrophobicContact CB-CB 4.36Å; M1-H34 WeakPolarHBondContact CE-ND1 3.42Å; M1-H34 HydrophobicContact CG-CB 4.12Å; M1-A35 HydrophobicContact CE-CB 3.87Å; M1-C38 HydrophobicContact CE-CB 3.62Å; M1-C38 WeakPolarHBondContact CE-SG 3.24Å; M1-C38 WeakPolarHBondContact CG-SG 3.44Å; M1-C38 HydrophobicContact SD-CB 4.37Å; M1-I66 HydrophobicContact CE-CG2 3.98Å; M1-I66 HydrophobicContact SD-CG2 3.97Å; M1-T68 WeakPolarHBondContact CE-OG1 3.4Å; M1-T68 PolarHBondContact SD-OG1 3.11Å; M1-T68 VanDerWaalsContact SD-OG1 3.41Å; M1-G69 PolarHBondContact N-O 3.3Å; M1-T111 HydrophobicContact CE-CG2 4.26Å
2	L	55.3	Low	52.2	Low	4 Å²	4	51.5 Å²	51.5	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.5	-175	-163.9	108.8	0	0	0	109.8	I4 V24 H67 V71 V85 V90 A93	L2-I4 HydrophobicContact CD2-CD1 3.66Å; L2-I4 HydrophobicContact CD2-CG1 3.88Å; L2-V24 HydrophobicContact CD1-CB 4.28Å; L2-V24 HydrophobicContact CD1-CG1 4.11Å; L2-V24 HydrophobicContact CD1-CG2 3.35Å; L2-V24 HydrophobicContact CG-CG2 4.21Å; L2-H67 PolarHBondContact N-O 3.04Å; L2-H67 VanDerWaalsContact N-O 3.08Å; L2-H67 PolarHBondContact O-N 2.97Å; L2-H67 VanDerWaalsContact O-O 3.13Å; L2-V71 HydrophobicContact CB-CG1 4.4Å; L2-V71 HydrophobicContact CD1-CG1 4.17Å; L2-V85 HydrophobicContact CD1-CB 4.27Å; L2-V85 HydrophobicContact CD1-CG1 3.76Å; L2-V90 HydrophobicContact CD1-CG2 4.48Å; L2-V90 HydrophobicContact CD2-CB 4.23Å; L2-V90 HydrophobicContact CD2-CG1 3.98Å; L2-V90 HydrophobicContact CD2-CG2 3.99Å; L2-A93 HydrophobicContact CD2-CB 3.91Å
3	I	56.5	Low	51.1	Low	3 Å²	3	61.2 Å²	61.2	2%	0.015	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.8	-178	-52.2	171.6	0	0	0	107.8	F5 Y22 C23 C38 M41 I66	I3-F5 HydrophobicContact CG2-CD2 3.71Å; I3-F5 HydrophobicContact CG2-CE2 3.37Å; I3-F5 HydrophobicContact CG2-CZ 4.28Å; I3-Y22 CarbonylContact O-C 3.5Å; I3-Y22 WeakPolarHBondContact O-CA 3.39Å; I3-Y22 WeakPolarHBondContact O-CB 3.4Å; I3-C23 WeakPolarHBondContact CA-O 3.36Å; I3-C23 HydrophobicContact CB-CB 4.13Å; I3-C23 WeakPolarHBondContact CB-O 3.31Å; I3-C23 HydrophobicContact CD1-CB 4.08Å; I3-C23 PolarHBondContact N-O 3.4Å; I3-C23 PolarHBondContact O-N 3.38Å; I3-C23 VanDerWaalsContact O-O 3.12Å; I3-C38 HydrophobicContact CD1-CB 3.59Å; I3-C38 WeakPolarHBondContact CD1-SG 3.29Å; I3-C38 HydrophobicContact CG1-CB 3.74Å; I3-C38 WeakPolarHBondContact CG1-SG 3.22Å; I3-M41 HydrophobicContact CD1-CE 3.36Å; I3-M41 HydrophobicContact CD1-SD 4.14Å; I3-M41 HydrophobicContact CG2-CE 4.12Å; I3-I66 HydrophobicContact CG2-CG1 4.37Å
4	I	58.3	Low	49.7	Very low	5 Å²	5	71.1 Å²	71.1	3%	0.026	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	125.6	172.5	-50.6	-172.2	0	0	0	109.7	L2 C20 Y21 G65 V90 A93 N94	L2-I4 HydrophobicContact CD2-CD1 3.66Å; L2-I4 HydrophobicContact CD2-CG1 3.88Å; I4-C20 WeakPolarHBondContact CG2-SG 3.24Å; I4-Y21 CarbonylContact C-O 3.16Å; I4-Y21 WeakPolarHBondContact CA-O 3.5Å; I4-G65 PolarHBondContact N-O 3.48Å; I4-G65 PolarHBondContact O-N 3.43Å; I4-V90 HydrophobicContact CD1-CG1 4.47Å; I4-A93 HydrophobicContact CD1-CB 4.08Å; I4-A93 HydrophobicContact CG1-CB 4.25Å; I4-N94 WeakPolarHBondContact CD1-OD1 3.41Å
5	F	57.1	Low	48.7	Very low	1 Å²	1	74 Å²	74	0%	0.004	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.4	175.3	-70.8	-97.1	0	0	0	109.9	I3 Y21 M41 G42 M45 M62 R63 V64	I3-F5 HydrophobicContact CG2-CD2 3.71Å; I3-F5 HydrophobicContact CG2-CE2 3.37Å; I3-F5 HydrophobicContact CG2-CZ 4.28Å; F5-Y21 PolarHBondContact N-O 3.18Å; F5-Y21 PolarHBondContact O-N 2.77Å; F5-M41 HydrophobicContact CE2-CE 3.63Å; F5-M41 HydrophobicContact CZ-CE 4.3Å; F5-G42 VanDerWaalsContact CZ-CA 3.41Å; F5-M45 HydrophobicContact CD1-CB 4.35Å; F5-M45 HydrophobicContact CD1-CG 4.3Å; F5-M45 HydrophobicContact CD1-SD 3.83Å; F5-M45 HydrophobicContact CD2-SD 3.97Å; F5-M45 HydrophobicContact CE1-CB 3.57Å; F5-M45 HydrophobicContact CE1-CG 3.98Å; F5-M45 HydrophobicContact CE1-SD 3.76Å; F5-M45 HydrophobicContact CE2-SD 3.88Å; F5-M45 HydrophobicContact CG-SD 3.92Å; F5-M45 HydrophobicContact CZ-CB 3.79Å; F5-M45 HydrophobicContact CZ-CG 4.3Å; F5-M45 HydrophobicContact CZ-SD 3.73Å; F5-M62 HydrophobicContact CB-CG 4.47Å; F5-M62 HydrophobicContact CB-SD 4.06Å; F5-M62 HydrophobicContact CD1-CG 4.02Å; F5-M62 HydrophobicContact CD1-SD 3.42Å; F5-M62 WeakPolarHBondContact CD1-SD 3.45Å; F5-M62 HydrophobicContact CE1-SD 4.16Å; F5-M62 HydrophobicContact CG-SD 4.12Å; F5-R63 WeakPolarHBondContact CA-O 3.45Å; F5-V64 HydrophobicContact CD1-CB 3.85Å; F5-V64 HydrophobicContact CD1-CG1 3.59Å; F5-V64 HydrophobicContact CD1-CG2 3.33Å; F5-V64 HydrophobicContact CD2-CG1 4.37Å; F5-V64 HydrophobicContact CE1-CB 3.81Å; F5-V64 HydrophobicContact CE1-CG1 3.3Å; F5-V64 HydrophobicContact CE1-CG2 3.24Å; F5-V64 HydrophobicContact CE2-CG1 4.14Å; F5-V64 HydrophobicContact CG-CG1 4.14Å; F5-V64 HydrophobicContact CG-CG2 4.47Å; F5-V64 HydrophobicContact CZ-CG1 3.65Å; F5-V64 HydrophobicContact CZ-CG2 4.37Å
6	H	59	Low	47.9	Very low	52 Å²	52	79.6 Å²	79.6	24%	0.241	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130.2	169.2	-166.5	-70.7	0	0	0	110.6	R63 E97	H6-R63 PolarHBondContact N-O 3.39Å; H6-R63 PolarHBondContact O-N 3.32Å; H6-E97 HydrophobicContact CB-CG 3.75Å; H6-E97 VanDerWaalsContact CB-OE1 3.23Å; H6-E97 WeakPolarHBondContact CB-OE1 3.45Å; H6-E97 IonicContact CG-OE1 3.9Å
7	G	55.2	Low	47.5	Very low	12 Å²	12	84.1 Å²	84.1	12%	0.124	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	140.3	175	0	0	0	0	0	112.4	D19 N61	G7-D19 PolarHBondContact N-O 2.86Å; G7-N61 CarbonylContact C-O 3.57Å; G7-N61 WeakPolarHBondContact CA-O 3.4Å
8	E	56.4	Low	47.6	Very low	68 Å²	68	82.4 Å²	82.4	32%	0.318	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	142.7	161.8	-76.1	-165.3	132.1	0	0	109.9	N61 R63 S102	E8-N61 PolarHBondContact N-O 3.47Å; E8-N61 PolarHBondContact O-N 2.8Å; E8-R63 IonicContact OE1-CZ 3.7Å; E8-R63 IonicContact OE1-NH1 2.85Å; E8-R63 PolarHBondContact OE1-NH1 3.33Å; E8-R63 IonicContact OE1-NH2 3.73Å; E8-R63 PolarHBondContact OE1-NH2 3.18Å; E8-R63 IonicContact OE2-NH1 3.97Å; E8-R63 PolarHBondContact OE2-NH1 2.93Å; E8-S102 PolarHBondContact OE2-OG 3.43Å
9	N	49.2	Very low	48.2	Very low	98 Å²	98	80.4 Å²	80.4	52%	0.524	41%	0.41	S	S	.	.			trans	75.1	43.6	172.6	-51.5	-31.4	0	0	0	117.4	L11 E59 V60	N9-L11 PolarHBondContact O-N 3.48Å; N9-E59 WeakPolarHBondContact CB-O 3.27Å; N9-E59 PolarHBondContact ND2-O 2.88Å; N9-V60 WeakPolarHBondContact O-CG1 3.23Å
10	V	48.3	Very low	48.9	Very low	89 Å²	89	79.6 Å²	79.6	54%	0.539	41%	0.411	S	S	.	.			trans	-69.1	110.9	164.2	-172.9	0	0	0	0	109.3	H12 D19	V10-H12 PolarHBondContact O-N 3.32Å; V10-D19 HydrophobicContact CG2-CB 4.33Å; V10-D19 VanDerWaalsContact CG2-CG 3.48Å; V10-D19 WeakPolarHBondContact CG2-OD2 3.43Å
11	L	36.8	Very low	50	Low	86 Å²	86	81.4 Å²	81.4	45%	0.45	41%	0.413	S	S	.	.			trans	-39.5	121	-179.6	-85.7	142.6	0	0	0	114.4	N9 H13 Q58	N9-L11 PolarHBondContact O-N 3.48Å; L11-H13 PolarHBondContact O-N 2.95Å; L11-Q58 HydrophobicContact CD1-CB 3.75Å; L11-Q58 HydrophobicContact CD1-CG 3.46Å; L11-Q58 VanDerWaalsContact CD1-CG 3.46Å
12	H	37.6	Very low	50.8	Low	184 Å²	184	84.1 Å²	84.1	85%	0.852	42%	0.423	S	S	*	.	S	Bend	trans	47.8	-5	147.2	-90.4	-74.9	0	0	0	122.2	V10	V10-H12 PolarHBondContact O-N 3.32Å
13	H	37.8	Very low	51.7	Low	177 Å²	177	85 Å²	85	82%	0.819	43%	0.429	S	S	*	.			trans	-105.6	96.3	170.8	-102.3	-78.1	0	0	0	110.1	L11 D15	L11-H13 PolarHBondContact O-N 2.95Å; H13-D15 PolarHBondContact O-N 3.4Å
14	K	31.6	Very low	52.5	Low	200 Å²	200	87.2 Å²	87.2	87%	0.87	44%	0.443	S	S	*	.			trans	-35.6	98.4	161.9	-89	172.3	164.8	169.9	0	111.3
15	D	34	Very low	53.1	Low	115 Å²	115	87.8 Å²	87.8	62%	0.615	45%	0.447	S	S	*	.			trans	-149.5	86.8	146	-85.3	-33.9	0	0	0	105.9	H13 N17 S18	H13-D15 PolarHBondContact O-N 3.4Å; D15-N17 PolarHBondContact O-N 3.1Å; D15-S18 PolarHBondContact O-N 3.37Å
16	I	36.7	Very low	53.6	Low	164 Å²	164	89 Å²	89	84%	0.841	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	10.6	-160.1	-147.6	156.2	0	0	0	115.7
17	N	40.8	Very low	53.9	Low	155 Å²	155	89.3 Å²	89.3	83%	0.829	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.7	22.8	-172.8	-71	-22	0	0	0	114.2	D15	D15-N17 PolarHBondContact O-N 3.1Å
18	S	49.1	Very low	54.2	Low	55 Å²	55	94.1 Å²	94.1	39%	0.385	50%	0.497	S	S	.	.			trans	-109.9	8.2	-170.8	-164.5	0	0	0	0	117.1	D15	D15-S18 PolarHBondContact O-N 3.37Å
19	D	58.6	Low	54.9	Low	44 Å²	44	98.7 Å²	98.7	24%	0.235	52%	0.518	C	S	.	.			trans	-119.8	13.6	-166.4	-53.1	-33.8	0	0	0	114.7	G7 V10	G7-D19 PolarHBondContact N-O 2.86Å; V10-D19 HydrophobicContact CG2-CB 4.33Å; V10-D19 VanDerWaalsContact CG2-CG 3.48Å; V10-D19 WeakPolarHBondContact CG2-OD2 3.43Å
20	C	64	Low	56	Low	63 Å²	63	99.7 Å²	99.7	43%	0.426	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.9	176.8	-171.8	0	0	0	0	110.9	I4	I4-C20 WeakPolarHBondContact CG2-SG 3.24Å
21	Y	70.8	Confident	57.5	Low	118 Å²	118	99.7 Å²	99.7	46%	0.463	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.5	174.7	-67.9	-88.2	0	0	0	109.4	I4 F5	I4-Y21 CarbonylContact C-O 3.16Å; I4-Y21 WeakPolarHBondContact CA-O 3.5Å; F5-Y21 PolarHBondContact N-O 3.18Å; F5-Y21 PolarHBondContact O-N 2.77Å
22	Y	73.6	Confident	59.5	Low	73 Å²	73	100.3 Å²	100.3	29%	0.286	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.6	172.9	65.7	-89.3	0	0	0	111.4	I3 V24 M157	I3-Y22 CarbonylContact O-C 3.5Å; I3-Y22 WeakPolarHBondContact O-CA 3.39Å; I3-Y22 WeakPolarHBondContact O-CB 3.4Å; Y22-V24 HydrophobicContact CD2-CG2 4.49Å; Y22-M157 VanDerWaalsContact OH-CE 3.24Å; Y22-M157 WeakPolarHBondContact OH-CE 3.48Å; Y22-M157 PolarHBondContact OH-SD 3.24Å
23	C	74.6	Confident	61.8	Low	23 Å²	23	94.4 Å²	94.4	16%	0.155	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.1	178	-72.3	0	0	0	0	108.7	I3 M41	I3-C23 WeakPolarHBondContact CA-O 3.36Å; I3-C23 HydrophobicContact CB-CB 4.13Å; I3-C23 WeakPolarHBondContact CB-O 3.31Å; I3-C23 HydrophobicContact CD1-CB 4.08Å; I3-C23 PolarHBondContact N-O 3.4Å; I3-C23 PolarHBondContact O-N 3.38Å; I3-C23 VanDerWaalsContact O-O 3.12Å; C23-M41 HydrophobicContact CB-CE 3.64Å
24	V	73.2	Confident	64	Low	49 Å²	49	87.1 Å²	87.1	30%	0.297	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.6	-179.9	-166.2	0	0	0	0	107.8	M1 L2 Y22 C27 V71 V85	M1-V24 WeakPolarHBondContact O-CG1 3.42Å; L2-V24 HydrophobicContact CD1-CB 4.28Å; L2-V24 HydrophobicContact CD1-CG1 4.11Å; L2-V24 HydrophobicContact CD1-CG2 3.35Å; L2-V24 HydrophobicContact CG-CG2 4.21Å; Y22-V24 HydrophobicContact CD2-CG2 4.49Å; V24-C27 HydrophobicContact CG1-CB 4.13Å; V24-V71 HydrophobicContact CG1-CG2 4.35Å; V24-V85 HydrophobicContact CG2-CG2 4.34Å
25	S	71.4	Confident	66.7	Low	17 Å²	17	77.6 Å²	77.6	12%	0.119	44%	0.438	C	S	.	.	S	Bend	trans	-117.2	143.1	178	175	0	0	0	0	109.2	M1 H34 C38	M1-S25 VanDerWaalsContact CB-O 3.31Å; M1-S25 WeakPolarHBondContact CB-O 3.46Å; M1-S25 PolarHBondContact O-N 3.05Å; M1-S25 VanDerWaalsContact O-N 3.11Å; M1-S25 VanDerWaalsContact O-O 3.06Å; S25-H34 WeakPolarHBondContact OG-CB 3.37Å; S25-C38 WeakPolarHBondContact CB-SG 3.42Å
26	G	66.6	Low	69.3	Low	28 Å²	28	74.1 Å²	74.1	29%	0.289	42%	0.418	S	S	.	.	S	Bend	trans	79.5	23.1	-177.6	0	0	0	0	0	114.4	E29	G26-E29 CarbonylContact C-O 3.59Å; G26-E29 WeakPolarHBondContact CA-O 3.24Å
27	C	64.8	Low	71.6	Confident	58 Å²	58	67.7 Å²	67.7	39%	0.392	39%	0.388	S	S	.	.	S	Bend	trans	-136.4	129.5	174	-156.8	0	0	0	0	110.1	V24 C73	V24-C27 HydrophobicContact CG1-CB 4.13Å; C27-C73 VanDerWaalsContact SG-SG 3.66Å
28	P	62.9	Low	73.8	Confident	113 Å²	113	60.3 Å²	60.3	73%	0.734	35%	0.349	S	S	*	.	S	Bend	cis	-77.9	-24	1.4	31.6	-34.3	0	0	0	113.8
29	E	70.1	Confident	75.7	Confident	163 Å²	163	57.7 Å²	57.7	76%	0.762	33%	0.33	S	S	*	.	S	Bend	trans	-88.2	121	180	-75.7	-167.1	144.8	0	0	111.6	G26	G26-E29 CarbonylContact C-O 3.59Å; G26-E29 WeakPolarHBondContact CA-O 3.24Å
30	P	72.8	Confident	77.1	Confident	120 Å²	120	57.9 Å²	57.9	78%	0.779	33%	0.33	S	S	*	.			trans	-68.2	137.2	175.3	27.6	-31.8	0	0	0	110.1
31	R	79.7	Confident	78.1	Confident	88 Å²	88	56.5 Å²	56.5	33%	0.332	32%	0.317	S	S	.	.			trans	-123.6	141.1	176.7	67.8	-179.9	-64.2	163.3	9.9	110.1	D33 H34 C37	R31-D33 IonicContact CZ-OD1 3.29Å; R31-D33 VanDerWaalsContact CZ-OD1 3.29Å; R31-D33 IonicContact CZ-OD2 3.72Å; R31-D33 IonicContact NE-OD1 2.72Å; R31-D33 PolarHBondContact NE-OD1 3.45Å; R31-D33 IonicContact NE-OD2 2.72Å; R31-D33 IonicContact NH2-OD1 3.02Å; R31-D33 PolarHBondContact NH2-OD1 2.81Å; R31-D33 IonicContact NH2-OD2 2.74Å; R31-D33 PolarHBondContact NH2-OD2 2.76Å; R31-H34 HydrophobicContact CG-CB 3.55Å; R31-H34 PolarHBondContact O-CD2 2.97Å; R31-C37 PolarHBondContact NH2-SG 3.43Å
32	A	79.7	Confident	78.8	Confident	99 Å²	99	50.9 Å²	50.9	82%	0.818	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-30	-175.5	0	0	0	0	0	113.4	H34	A32-H34 VanDerWaalsContact C-N 3.32Å
33	D	84.6	Confident	79.5	Confident	60 Å²	60	49.8 Å²	49.8	32%	0.321	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	20.9	-179.3	63.4	-21.7	0	0	0	112.6	R31 A35 I36 C37	R31-D33 IonicContact CZ-OD1 3.29Å; R31-D33 VanDerWaalsContact CZ-OD1 3.29Å; R31-D33 IonicContact CZ-OD2 3.72Å; R31-D33 IonicContact NE-OD1 2.72Å; R31-D33 PolarHBondContact NE-OD1 3.45Å; R31-D33 IonicContact NE-OD2 2.72Å; R31-D33 IonicContact NH2-OD1 3.02Å; R31-D33 PolarHBondContact NH2-OD1 2.81Å; R31-D33 IonicContact NH2-OD2 2.74Å; R31-D33 PolarHBondContact NH2-OD2 2.76Å; D33-A35 PolarHBondContact O-N 2.93Å; D33-A35 VanDerWaalsContact O-N 3.13Å; D33-I36 PolarHBondContact O-N 3.34Å; D33-C37 PolarHBondContact O-N 3.02Å; D33-C37 VanDerWaalsContact O-N 3.14Å
34	H	84.2	Confident	80	Confident	25 Å²	25	51.4 Å²	51.4	12%	0.116	31%	0.306	C	S	.	.	H	α-helix	trans	-54.6	-37.8	-176.3	58.6	60.5	0	0	0	111.9	M1 S25 R31 A32 C38 F114	M1-H34 HydrophobicContact CB-CB 4.36Å; M1-H34 WeakPolarHBondContact CE-ND1 3.42Å; M1-H34 HydrophobicContact CG-CB 4.12Å; S25-H34 WeakPolarHBondContact OG-CB 3.37Å; R31-H34 HydrophobicContact CG-CB 3.55Å; R31-H34 PolarHBondContact O-CD2 2.97Å; A32-H34 VanDerWaalsContact C-N 3.32Å; H34-C38 WeakPolarHBondContact O-CB 2.89Å; H34-C38 PolarHBondContact O-N 3.3Å; H34-C38 PolarHBondContact O-SG 3.03Å; H34-F114 AromaticContact CE1-CD1 3.89Å; H34-F114 AromaticContact CE1-CG 3.75Å
35	A	87.7	Confident	80.5	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-67.7	-47.3	-176.4	0	0	0	0	0	112.8	M1 D33 C38 V39 T111 F114 L115	M1-A35 HydrophobicContact CE-CB 3.87Å; D33-A35 PolarHBondContact O-N 2.93Å; D33-A35 VanDerWaalsContact O-N 3.13Å; A35-C38 PolarHBondContact O-N 3.35Å; A35-V39 WeakPolarHBondContact O-CG2 3.33Å; A35-V39 PolarHBondContact O-N 3.28Å; A35-T111 HydrophobicContact CB-CG2 4.33Å; A35-F114 HydrophobicContact CB-CB 3.47Å; A35-F114 VanDerWaalsContact CB-CB 3.47Å; A35-L115 HydrophobicContact CB-CD2 3.77Å; A35-L115 HydrophobicContact CB-CG 4.28Å
36	I	88.6	Confident	81.2	Confident	41 Å²	41	51.5 Å²	51.5	21%	0.21	30%	0.302	C	S	.	.	H	α-helix	trans	-59.7	-50.6	177.5	-62.6	172.3	0	0	0	109	D33 C38 V39 E40 L115 Y119	D33-I36 PolarHBondContact O-N 3.34Å; I36-C38 VanDerWaalsContact C-N 3.32Å; I36-C38 PolarHBondContact O-N 2.97Å; I36-V39 PolarHBondContact O-N 3.47Å; I36-V39 VanDerWaalsContact O-N 3.16Å; I36-E40 HydrophobicContact CG2-CG 4.29Å; I36-E40 WeakPolarHBondContact O-CB 3.17Å; I36-E40 WeakPolarHBondContact O-CG 3.33Å; I36-E40 PolarHBondContact O-N 2.89Å; I36-L115 HydrophobicContact CG1-CD2 4.21Å; I36-Y119 HydrophobicContact CG1-CE2 4.44Å
37	C	85.5	Confident	82.2	Confident	29 Å²	29	57 Å²	57	20%	0.196	32%	0.32	C	S	.	.	H	α-helix	trans	-60.9	-39.1	179.8	-67.2	0	0	0	0	113.5	R31 D33 M41	R31-C37 PolarHBondContact NH2-SG 3.43Å; D33-C37 PolarHBondContact O-N 3.02Å; D33-C37 VanDerWaalsContact O-N 3.14Å; C37-M41 VanDerWaalsContact O-CB 3.29Å; C37-M41 WeakPolarHBondContact O-CB 3.5Å; C37-M41 PolarHBondContact O-N 2.96Å
38	C	86.4	Confident	83.2	Confident	1 Å²	1	57 Å²	57	1%	0.007	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-43	176.3	-70.9	0	0	0	0	112.1	M1 I3 S25 H34 A35 I36 M41 G42 I66	M1-C38 HydrophobicContact CE-CB 3.62Å; M1-C38 WeakPolarHBondContact CE-SG 3.24Å; M1-C38 WeakPolarHBondContact CG-SG 3.44Å; M1-C38 HydrophobicContact SD-CB 4.37Å; I3-C38 HydrophobicContact CD1-CB 3.59Å; I3-C38 WeakPolarHBondContact CD1-SG 3.29Å; I3-C38 HydrophobicContact CG1-CB 3.74Å; I3-C38 WeakPolarHBondContact CG1-SG 3.22Å; S25-C38 WeakPolarHBondContact CB-SG 3.42Å; H34-C38 WeakPolarHBondContact O-CB 2.89Å; H34-C38 PolarHBondContact O-N 3.3Å; H34-C38 PolarHBondContact O-SG 3.03Å; A35-C38 PolarHBondContact O-N 3.35Å; I36-C38 VanDerWaalsContact C-N 3.32Å; I36-C38 PolarHBondContact O-N 2.97Å; C38-M41 PolarHBondContact O-N 3.31Å; C38-G42 PolarHBondContact O-N 3.38Å; C38-I66 HydrophobicContact CB-CD1 4.29Å; C38-I66 HydrophobicContact CB-CG2 3.99Å; C38-I66 WeakPolarHBondContact O-CD1 3.49Å
39	V	89.5	Confident	84	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.3	-45.9	178.3	168.6	0	0	0	0	111	A35 I36 M41 G42 L43 I66 I107 L115 Y119 I136	A35-V39 WeakPolarHBondContact O-CG2 3.33Å; A35-V39 PolarHBondContact O-N 3.28Å; I36-V39 PolarHBondContact O-N 3.47Å; I36-V39 VanDerWaalsContact O-N 3.16Å; V39-M41 VanDerWaalsContact C-N 3.28Å; V39-M41 PolarHBondContact O-N 2.58Å; V39-G42 CarbonylContact O-C 3.58Å; V39-G42 VanDerWaalsContact O-CA 3.29Å; V39-G42 WeakPolarHBondContact O-CA 3.29Å; V39-G42 PolarHBondContact O-N 2.67Å; V39-L43 HydrophobicContact CG1-CD1 3.97Å; V39-L43 HydrophobicContact CG1-CG 4.36Å; V39-L43 WeakPolarHBondContact O-CG 3.42Å; V39-L43 PolarHBondContact O-N 2.75Å; V39-I66 HydrophobicContact CB-CD1 4.49Å; V39-I66 HydrophobicContact CG2-CD1 3.92Å; V39-I107 HydrophobicContact CG2-CG2 4.36Å; V39-L115 HydrophobicContact CB-CD2 4.34Å; V39-L115 HydrophobicContact CG2-CD1 3.96Å; V39-L115 HydrophobicContact CG2-CD2 3.78Å; V39-L115 HydrophobicContact CG2-CG 4.49Å; V39-Y119 HydrophobicContact CG1-CD1 4.21Å; V39-Y119 HydrophobicContact CG1-CE1 3.78Å; V39-Y119 HydrophobicContact CG1-CE2 4.46Å; V39-I136 HydrophobicContact CG1-CD1 4.07Å; V39-I136 HydrophobicContact CG1-CG1 3.88Å; V39-I136 HydrophobicContact CG1-CG2 4.3Å; V39-I136 HydrophobicContact CG2-CD1 4.26Å; V39-I136 HydrophobicContact CG2-CG1 4.43Å
40	E	88.8	Confident	84.7	Confident	47 Å²	47	50.6 Å²	50.6	22%	0.22	29%	0.286	C	S	.	.	H	α-helix	trans	-57.2	-42.7	175.8	-72.7	-59.6	141	0	0	112.2	I36 L43 S44 Y119 K139	I36-E40 HydrophobicContact CG2-CG 4.29Å; I36-E40 WeakPolarHBondContact O-CB 3.17Å; I36-E40 WeakPolarHBondContact O-CG 3.33Å; I36-E40 PolarHBondContact O-N 2.89Å; E40-L43 PolarHBondContact O-N 2.79Å; E40-S44 WeakPolarHBondContact O-CB 3.39Å; E40-S44 PolarHBondContact O-N 2.89Å; E40-S44 PolarHBondContact O-OG 2.8Å; E40-Y119 PolarHBondContact OE1-OH 2.77Å; E40-K139 WeakPolarHBondContact OE1-CE 3.28Å; E40-K139 IonicContact OE1-NZ 2.75Å; E40-K139 PolarHBondContact OE1-NZ 3.05Å; E40-K139 IonicContact OE2-NZ 2.67Å; E40-K139 PolarHBondContact OE2-NZ 2.98Å
41	M	84.2	Confident	85.2	Confident	34 Å²	34	49.4 Å²	49.4	17%	0.167	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-42	175.2	-165.6	-175.9	94.6	0	0	111.4	I3 F5 C23 C37 C38 V39 S44 M45 P152	I3-M41 HydrophobicContact CD1-CE 3.36Å; I3-M41 HydrophobicContact CD1-SD 4.14Å; I3-M41 HydrophobicContact CG2-CE 4.12Å; F5-M41 HydrophobicContact CE2-CE 3.63Å; F5-M41 HydrophobicContact CZ-CE 4.3Å; C23-M41 HydrophobicContact CB-CE 3.64Å; C37-M41 VanDerWaalsContact O-CB 3.29Å; C37-M41 WeakPolarHBondContact O-CB 3.5Å; C37-M41 PolarHBondContact O-N 2.96Å; C38-M41 PolarHBondContact O-N 3.31Å; V39-M41 VanDerWaalsContact C-N 3.28Å; V39-M41 PolarHBondContact O-N 2.58Å; M41-S44 PolarHBondContact O-N 2.93Å; M41-M45 WeakPolarHBondContact O-CB 3.47Å; M41-M45 PolarHBondContact O-N 3.05Å; M41-P152 HydrophobicContact CG-CG 3.84Å; M41-P152 HydrophobicContact SD-CB 3.73Å; M41-P152 HydrophobicContact SD-CG 3.24Å; M41-P152 WeakPolarHBondContact SD-CG 3.48Å
42	G	85.1	Confident	85.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-44.6	-60.8	167.9	0	0	0	0	0	113.3	F5 C38 V39 M45 I46	F5-G42 VanDerWaalsContact CZ-CA 3.41Å; C38-G42 PolarHBondContact O-N 3.38Å; V39-G42 CarbonylContact O-C 3.58Å; V39-G42 VanDerWaalsContact O-CA 3.29Å; V39-G42 WeakPolarHBondContact O-CA 3.29Å; V39-G42 PolarHBondContact O-N 2.67Å; G42-M45 PolarHBondContact O-N 3.31Å; G42-I46 WeakPolarHBondContact O-CG1 3.45Å; G42-I46 PolarHBondContact O-N 3.02Å
43	L	88.8	Confident	85.6	Confident	51 Å²	51	46.3 Å²	46.3	27%	0.267	24%	0.242	S	C	.	.	H	α-helix	trans	-63.8	-44.7	-177.3	-65.2	169.9	0	0	0	111.7	V39 E40 M45 I46 E47 V105 Y119 I136	V39-L43 HydrophobicContact CG1-CD1 3.97Å; V39-L43 HydrophobicContact CG1-CG 4.36Å; V39-L43 WeakPolarHBondContact O-CG 3.42Å; V39-L43 PolarHBondContact O-N 2.75Å; E40-L43 PolarHBondContact O-N 2.79Å; L43-M45 PolarHBondContact O-N 2.7Å; L43-I46 PolarHBondContact O-N 3.32Å; L43-E47 PolarHBondContact O-N 2.74Å; L43-V105 HydrophobicContact CD2-CG2 3.8Å; L43-V105 HydrophobicContact CG-CG2 4.11Å; L43-Y119 HydrophobicContact CD1-CE1 4.3Å; L43-I136 HydrophobicContact CD1-CG2 4.35Å; L43-I136 HydrophobicContact CD2-CG2 4.31Å
44	S	86.4	Confident	85.6	Confident	57 Å²	57	47.6 Å²	47.6	40%	0.399	25%	0.248	S	C	.	.	H	α-helix	trans	-61.4	-35.1	179.5	-57	0	0	0	0	112.1	E40 M41 A48	E40-S44 WeakPolarHBondContact O-CB 3.39Å; E40-S44 PolarHBondContact O-N 2.89Å; E40-S44 PolarHBondContact O-OG 2.8Å; M41-S44 PolarHBondContact O-N 2.93Å; S44-A48 WeakPolarHBondContact O-CB 3.43Å; S44-A48 PolarHBondContact O-N 3.01Å
45	M	83.6	Confident	85.7	Confident	41 Å²	41	51.7 Å²	51.7	20%	0.202	27%	0.271	C	S	.	.	H	α-helix	trans	-76	-37.1	-179.7	-162.1	162.9	-146.3	0	0	112.3	F5 M41 G42 L43 E47 A48 I49 M62 F154	F5-M45 HydrophobicContact CD1-CB 4.35Å; F5-M45 HydrophobicContact CD1-CG 4.3Å; F5-M45 HydrophobicContact CD1-SD 3.83Å; F5-M45 HydrophobicContact CD2-SD 3.97Å; F5-M45 HydrophobicContact CE1-CB 3.57Å; F5-M45 HydrophobicContact CE1-CG 3.98Å; F5-M45 HydrophobicContact CE1-SD 3.76Å; F5-M45 HydrophobicContact CE2-SD 3.88Å; F5-M45 HydrophobicContact CG-SD 3.92Å; F5-M45 HydrophobicContact CZ-CB 3.79Å; F5-M45 HydrophobicContact CZ-CG 4.3Å; F5-M45 HydrophobicContact CZ-SD 3.73Å; M41-M45 WeakPolarHBondContact O-CB 3.47Å; M41-M45 PolarHBondContact O-N 3.05Å; G42-M45 PolarHBondContact O-N 3.31Å; L43-M45 PolarHBondContact O-N 2.7Å; M45-E47 VanDerWaalsContact C-N 3.32Å; M45-A48 PolarHBondContact O-N 3.14Å; M45-I49 WeakPolarHBondContact O-CG1 3.2Å; M45-I49 PolarHBondContact O-N 3.08Å; M45-M62 HydrophobicContact CG-CE 4.47Å; M45-M62 HydrophobicContact CG-SD 3.73Å; M45-M62 HydrophobicContact SD-SD 4.1Å; M45-F154 HydrophobicContact CE-CE1 4.17Å; M45-F154 HydrophobicContact CE-CZ 4.26Å
46	I	85.7	Confident	85.6	Confident	27 Å²	27	59.7 Å²	59.7	14%	0.138	30%	0.301	C	S	.	.	H	α-helix	trans	-59	-46.9	170.4	-68.3	162.3	0	0	0	110	G42 L43 A48 I49 H50 V64 V105	G42-I46 WeakPolarHBondContact O-CG1 3.45Å; G42-I46 PolarHBondContact O-N 3.02Å; L43-I46 PolarHBondContact O-N 3.32Å; I46-A48 VanDerWaalsContact C-N 3.35Å; I46-A48 PolarHBondContact O-N 3.16Å; I46-I49 PolarHBondContact O-N 2.9Å; I46-H50 WeakPolarHBondContact O-CB 3.16Å; I46-H50 PolarHBondContact O-N 3.06Å; I46-V64 HydrophobicContact CD1-CG2 3.62Å; I46-V64 HydrophobicContact CG1-CG2 3.63Å; I46-V105 HydrophobicContact CD1-CG2 3.52Å
47	E	87	Confident	85.3	Confident	142 Å²	142	66.3 Å²	66.3	66%	0.664	33%	0.331	S	S	*	.	H	α-helix	trans	-60.8	-43.5	177.9	-174.2	175.1	-161.9	0	0	111.6	L43 M45 I49 H50 Q51	L43-E47 PolarHBondContact O-N 2.74Å; M45-E47 VanDerWaalsContact C-N 3.32Å; E47-I49 PolarHBondContact O-N 3.01Å; E47-H50 PolarHBondContact O-N 2.88Å; E47-Q51 PolarHBondContact O-N 2.93Å
48	A	85.1	Confident	84.8	Confident	59 Å²	59	68.2 Å²	68.2	49%	0.488	34%	0.337	S	S	.	.	H	α-helix	trans	-62.8	-41.3	177.2	0	0	0	0	0	112.9	S44 M45 I46 Q51 F52	S44-A48 WeakPolarHBondContact O-CB 3.43Å; S44-A48 PolarHBondContact O-N 3.01Å; M45-A48 PolarHBondContact O-N 3.14Å; I46-A48 VanDerWaalsContact C-N 3.35Å; I46-A48 PolarHBondContact O-N 3.16Å; A48-Q51 PolarHBondContact O-N 3.31Å; A48-F52 WeakPolarHBondContact O-CB 3.34Å; A48-F52 PolarHBondContact O-N 3.44Å
49	I	81.6	Confident	84.6	Confident	41 Å²	41	75.9 Å²	75.9	21%	0.21	37%	0.373	C	S	.	.	H	α-helix	trans	-68.5	-40.5	176.5	-69.3	-70.2	0	0	0	110.9	M45 I46 E47 Q51 F52 D53 V60 M62	M45-I49 WeakPolarHBondContact O-CG1 3.2Å; M45-I49 PolarHBondContact O-N 3.08Å; I46-I49 PolarHBondContact O-N 2.9Å; E47-I49 PolarHBondContact O-N 3.01Å; I49-Q51 VanDerWaalsContact C-N 3.29Å; I49-Q51 PolarHBondContact O-N 3.36Å; I49-F52 WeakPolarHBondContact O-CB 3.49Å; I49-F52 PolarHBondContact O-N 3.18Å; I49-D53 PolarHBondContact O-N 2.85Å; I49-V60 HydrophobicContact CG2-CG2 3.95Å; I49-M62 HydrophobicContact CD1-CE 3.77Å; I49-M62 HydrophobicContact CG1-CB 4.3Å; I49-M62 HydrophobicContact CG1-CE 3.64Å; I49-M62 HydrophobicContact CG1-SD 3.98Å; I49-M62 HydrophobicContact CG2-CB 4.31Å
50	H	83.5	Confident	84.2	Confident	100 Å²	100	76.6 Å²	76.6	46%	0.463	38%	0.377	S	S	.	.	H	α-helix	trans	-61.8	-40.7	176	-173.2	51.4	0	0	0	111.6	I46 E47 F52 D53 I54	I46-H50 WeakPolarHBondContact O-CB 3.16Å; I46-H50 PolarHBondContact O-N 3.06Å; E47-H50 PolarHBondContact O-N 2.88Å; H50-F52 VanDerWaalsContact C-N 3.34Å; H50-D53 WeakPolarHBondContact O-CB 3.44Å; H50-D53 PolarHBondContact O-N 2.54Å; H50-I54 WeakPolarHBondContact O-CG1 3.47Å; H50-I54 PolarHBondContact O-N 3.46Å; H50-I54 VanDerWaalsContact O-N 3.1Å
51	Q	84.6	Confident	83.7	Confident	96 Å²	96	77.4 Å²	77.4	45%	0.449	38%	0.383	S	S	.	.	H	α-helix	trans	-67.2	-37.6	175.4	-164.7	58.4	25.8	0	0	112.1	E47 A48 I49 I54 D55	E47-Q51 PolarHBondContact O-N 2.93Å; A48-Q51 PolarHBondContact O-N 3.31Å; I49-Q51 VanDerWaalsContact C-N 3.29Å; I49-Q51 PolarHBondContact O-N 3.36Å; Q51-I54 PolarHBondContact O-N 3.09Å; Q51-D55 PolarHBondContact NE2-OD1 3.5Å; Q51-D55 WeakPolarHBondContact O-CB 3.46Å; Q51-D55 VanDerWaalsContact O-CG 3.23Å; Q51-D55 PolarHBondContact O-N 3.47Å
52	F	84.2	Confident	83.7	Confident	85 Å²	85	76.3 Å²	76.3	37%	0.373	38%	0.378	S	S	.	.	H	α-helix	trans	-63.6	-41.5	174.1	179.6	-88.2	0	0	0	112.5	A48 I49 H50 D55 R56 V60	A48-F52 WeakPolarHBondContact O-CB 3.34Å; A48-F52 PolarHBondContact O-N 3.44Å; I49-F52 WeakPolarHBondContact O-CB 3.49Å; I49-F52 PolarHBondContact O-N 3.18Å; H50-F52 VanDerWaalsContact C-N 3.34Å; F52-D55 PolarHBondContact O-N 2.81Å; F52-R56 HydrophobicContact CD1-CG 4.37Å; F52-R56 HydrophobicContact CD2-CG 4.02Å; F52-R56 HydrophobicContact CE1-CB 4.29Å; F52-R56 HydrophobicContact CE1-CG 4.1Å; F52-R56 HydrophobicContact CE2-CG 3.73Å; F52-R56 HydrophobicContact CG-CG 4.34Å; F52-R56 HydrophobicContact CZ-CB 4.37Å; F52-R56 HydrophobicContact CZ-CG 3.78Å; F52-R56 VanDerWaalsContact O-CB 3.27Å; F52-R56 WeakPolarHBondContact O-CB 3.43Å; F52-R56 WeakPolarHBondContact O-CG 3.42Å; F52-R56 PolarHBondContact O-N 2.72Å; F52-V60 HydrophobicContact CD1-CG2 3.87Å; F52-V60 HydrophobicContact CE1-CG2 4.37Å
53	D	81.6	Confident	83.7	Confident	36 Å²	36	78.5 Å²	78.5	19%	0.193	39%	0.386	C	S	.	.	H	α-helix	trans	-58	-48.1	174.5	173.8	39.4	0	0	0	110.8	I49 H50 R56 E57 Q58 E59 V60	I49-D53 PolarHBondContact O-N 2.85Å; H50-D53 WeakPolarHBondContact O-CB 3.44Å; H50-D53 PolarHBondContact O-N 2.54Å; D53-R56 PolarHBondContact O-N 2.93Å; D53-E57 VanDerWaalsContact O-CA 3.24Å; D53-E57 WeakPolarHBondContact O-CA 3.32Å; D53-E57 PolarHBondContact O-N 2.58Å; D53-Q58 PolarHBondContact O-N 2.97Å; D53-E59 WeakPolarHBondContact OD1-CA 3.41Å; D53-E59 PolarHBondContact OD1-N 2.98Å; D53-V60 HydrophobicContact CB-CG2 3.97Å
54	I	86.4	Confident	83.8	Confident	88 Å²	88	76 Å²	76	45%	0.451	37%	0.373	S	S	.	.	H	α-helix	trans	-61.4	-47.5	176.4	-66.4	166.8	0	0	0	111.8	H50 Q51 R56	H50-I54 WeakPolarHBondContact O-CG1 3.47Å; H50-I54 PolarHBondContact O-N 3.46Å; H50-I54 VanDerWaalsContact O-N 3.1Å; Q51-I54 PolarHBondContact O-N 3.09Å; I54-R56 VanDerWaalsContact C-N 3.31Å; I54-R56 PolarHBondContact O-N 2.81Å
55	D	85.7	Confident	84	Confident	110 Å²	110	73.3 Å²	73.3	59%	0.588	35%	0.354	S	S	*	.	H	α-helix	trans	-71.9	-26.2	-174.2	-71.3	-11.2	0	0	0	112.9	Q51 F52	Q51-D55 PolarHBondContact NE2-OD1 3.5Å; Q51-D55 WeakPolarHBondContact O-CB 3.46Å; Q51-D55 VanDerWaalsContact O-CG 3.23Å; Q51-D55 PolarHBondContact O-N 3.47Å; F52-D55 PolarHBondContact O-N 2.81Å
56	R	85.2	Confident	84.3	Confident	169 Å²	169	71.4 Å²	71.4	64%	0.638	34%	0.344	S	S	*	.	H	α-helix	trans	-110.5	-9.7	-174.7	-61	-66	-172.2	141.6	-1	113.9	F52 D53 I54 Q58	F52-R56 HydrophobicContact CD1-CG 4.37Å; F52-R56 HydrophobicContact CD2-CG 4.02Å; F52-R56 HydrophobicContact CE1-CB 4.29Å; F52-R56 HydrophobicContact CE1-CG 4.1Å; F52-R56 HydrophobicContact CE2-CG 3.73Å; F52-R56 HydrophobicContact CG-CG 4.34Å; F52-R56 HydrophobicContact CZ-CB 4.37Å; F52-R56 HydrophobicContact CZ-CG 3.78Å; F52-R56 VanDerWaalsContact O-CB 3.27Å; F52-R56 WeakPolarHBondContact O-CB 3.43Å; F52-R56 WeakPolarHBondContact O-CG 3.42Å; F52-R56 PolarHBondContact O-N 2.72Å; D53-R56 PolarHBondContact O-N 2.93Å; I54-R56 VanDerWaalsContact C-N 3.31Å; I54-R56 PolarHBondContact O-N 2.81Å; R56-Q58 HydrophobicContact CB-CB 4.31Å; R56-Q58 HydrophobicContact CB-CG 3.79Å; R56-Q58 WeakPolarHBondContact O-CG 3.33Å; R56-Q58 PolarHBondContact O-N 3.12Å
57	E	83.5	Confident	84.6	Confident	179 Å²	179	70.7 Å²	70.7	84%	0.836	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	43.4	-172.2	-61.1	178.2	-176.4	0	0	111.4	D53	D53-E57 VanDerWaalsContact O-CA 3.24Å; D53-E57 WeakPolarHBondContact O-CA 3.32Å; D53-E57 PolarHBondContact O-N 2.58Å
58	Q	73.8	Confident	84.7	Confident	70 Å²	70	64.6 Å²	64.6	33%	0.327	31%	0.313	S	S	.	.			trans	-114.6	104.1	179	-64.5	-165.6	-24.1	0	0	106.4	L11 D53 R56 V60	L11-Q58 HydrophobicContact CD1-CB 3.75Å; L11-Q58 HydrophobicContact CD1-CG 3.46Å; L11-Q58 VanDerWaalsContact CD1-CG 3.46Å; D53-Q58 PolarHBondContact O-N 2.97Å; R56-Q58 HydrophobicContact CB-CB 4.31Å; R56-Q58 HydrophobicContact CB-CG 3.79Å; R56-Q58 WeakPolarHBondContact O-CG 3.33Å; R56-Q58 PolarHBondContact O-N 3.12Å; Q58-V60 HydrophobicContact CB-CG1 4.13Å; Q58-V60 WeakPolarHBondContact O-CG1 3.36Å; Q58-V60 VanDerWaalsContact O-CG2 3.31Å; Q58-V60 WeakPolarHBondContact O-CG2 3.41Å; Q58-V60 PolarHBondContact O-N 3.49Å
59	E	82.4	Confident	84.8	Confident	162 Å²	162	62.8 Å²	62.8	76%	0.757	30%	0.3	S	S	*	.			trans	-56.6	59	-174.8	-62.1	-179.7	160.3	0	0	114.1	N9 D53	N9-E59 WeakPolarHBondContact CB-O 3.27Å; N9-E59 PolarHBondContact ND2-O 2.88Å; D53-E59 WeakPolarHBondContact OD1-CA 3.41Å; D53-E59 PolarHBondContact OD1-N 2.98Å
60	V	80.2	Confident	84.8	Confident	15 Å²	15	66 Å²	66	9%	0.091	32%	0.322	C	S	.	.			trans	-98.8	140	-173.3	-62.9	0	0	0	0	109.4	N9 I49 F52 D53 Q58	N9-V60 WeakPolarHBondContact O-CG1 3.23Å; I49-V60 HydrophobicContact CG2-CG2 3.95Å; F52-V60 HydrophobicContact CD1-CG2 3.87Å; F52-V60 HydrophobicContact CE1-CG2 4.37Å; D53-V60 HydrophobicContact CB-CG2 3.97Å; Q58-V60 HydrophobicContact CB-CG1 4.13Å; Q58-V60 WeakPolarHBondContact O-CG1 3.36Å; Q58-V60 VanDerWaalsContact O-CG2 3.31Å; Q58-V60 WeakPolarHBondContact O-CG2 3.41Å; Q58-V60 PolarHBondContact O-N 3.49Å
61	N	80.2	Confident	84.4	Confident	64 Å²	64	63.1 Å²	63.1	34%	0.342	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	168.2	176.9	-87.7	-58.4	0	0	0	110.4	G7 E8	G7-N61 CarbonylContact C-O 3.57Å; G7-N61 WeakPolarHBondContact CA-O 3.4Å; E8-N61 PolarHBondContact N-O 3.47Å; E8-N61 PolarHBondContact O-N 2.8Å
62	M	82.8	Confident	83.9	Confident	11 Å²	11	64.7 Å²	64.7	5%	0.054	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	138	-179.9	-174.6	171.1	-80.1	0	0	111.4	F5 M45 I49 G103	F5-M62 HydrophobicContact CB-CG 4.47Å; F5-M62 HydrophobicContact CB-SD 4.06Å; F5-M62 HydrophobicContact CD1-CG 4.02Å; F5-M62 HydrophobicContact CD1-SD 3.42Å; F5-M62 WeakPolarHBondContact CD1-SD 3.45Å; F5-M62 HydrophobicContact CE1-SD 4.16Å; F5-M62 HydrophobicContact CG-SD 4.12Å; M45-M62 HydrophobicContact CG-CE 4.47Å; M45-M62 HydrophobicContact CG-SD 3.73Å; M45-M62 HydrophobicContact SD-SD 4.1Å; I49-M62 HydrophobicContact CD1-CE 3.77Å; I49-M62 HydrophobicContact CG1-CB 4.3Å; I49-M62 HydrophobicContact CG1-CE 3.64Å; I49-M62 HydrophobicContact CG1-SD 3.98Å; I49-M62 HydrophobicContact CG2-CB 4.31Å; M62-G103 PolarHBondContact O-N 2.79Å
63	R	86.6	Confident	83.5	Confident	45 Å²	45	62.4 Å²	62.4	17%	0.17	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	145.5	167.3	-70.3	-175	-71.3	-102.2	-8.5	109.9	F5 H6 E8 E97 G100	F5-R63 WeakPolarHBondContact CA-O 3.45Å; H6-R63 PolarHBondContact N-O 3.39Å; H6-R63 PolarHBondContact O-N 3.32Å; E8-R63 IonicContact OE1-CZ 3.7Å; E8-R63 IonicContact OE1-NH1 2.85Å; E8-R63 PolarHBondContact OE1-NH1 3.33Å; E8-R63 IonicContact OE1-NH2 3.73Å; E8-R63 PolarHBondContact OE1-NH2 3.18Å; E8-R63 IonicContact OE2-NH1 3.97Å; E8-R63 PolarHBondContact OE2-NH1 2.93Å; R63-E97 HydrophobicContact CB-CG 4.39Å; R63-E97 IonicContact CZ-OE1 2.69Å; R63-E97 IonicContact NE-OE1 3.98Å; R63-E97 PolarHBondContact NE-OE1 2.86Å; R63-E97 IonicContact NH2-OE1 3.58Å; R63-G100 VanDerWaalsContact CD-O 3.31Å; R63-G100 WeakPolarHBondContact CD-O 3.48Å
64	V	89	Confident	83	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.4	179.3	-167.4	0	0	0	0	109.6	F5 I46 I66 V105 H106	F5-V64 HydrophobicContact CD1-CB 3.85Å; F5-V64 HydrophobicContact CD1-CG1 3.59Å; F5-V64 HydrophobicContact CD1-CG2 3.33Å; F5-V64 HydrophobicContact CD2-CG1 4.37Å; F5-V64 HydrophobicContact CE1-CB 3.81Å; F5-V64 HydrophobicContact CE1-CG1 3.3Å; F5-V64 HydrophobicContact CE1-CG2 3.24Å; F5-V64 HydrophobicContact CE2-CG1 4.14Å; F5-V64 HydrophobicContact CG-CG1 4.14Å; F5-V64 HydrophobicContact CG-CG2 4.47Å; F5-V64 HydrophobicContact CZ-CG1 3.65Å; F5-V64 HydrophobicContact CZ-CG2 4.37Å; I46-V64 HydrophobicContact CD1-CG2 3.62Å; I46-V64 HydrophobicContact CG1-CG2 3.63Å; V64-I66 HydrophobicContact CG1-CD1 4.4Å; V64-I66 HydrophobicContact CG1-CG1 4.14Å; V64-V105 HydrophobicContact CB-CB 4.45Å; V64-V105 HydrophobicContact CB-CG1 4.41Å; V64-V105 HydrophobicContact CB-CG2 4.16Å; V64-V105 HydrophobicContact CG1-CG1 4.22Å; V64-V105 HydrophobicContact CG1-CG2 4.37Å; V64-V105 HydrophobicContact CG2-CG2 4.26Å; V64-H106 WeakPolarHBondContact O-CB 3.48Å; V64-H106 PolarHBondContact O-N 2.89Å
65	G	91.2	Very high	82.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.2	172.7	0	0	0	0	0	111.7	I4 H106	I4-G65 PolarHBondContact N-O 3.48Å; I4-G65 PolarHBondContact O-N 3.43Å; G65-H106 CarbonylContact C-O 3.45Å; G65-H106 WeakPolarHBondContact CA-O 3.38Å
66	I	91.3	Very high	81.9	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.9	179.3	-49.1	-179.3	0	0	0	111	M1 I3 C38 V39 V64 V105 H106 I107 S108 T111	M1-I66 HydrophobicContact CE-CG2 3.98Å; M1-I66 HydrophobicContact SD-CG2 3.97Å; I3-I66 HydrophobicContact CG2-CG1 4.37Å; C38-I66 HydrophobicContact CB-CD1 4.29Å; C38-I66 HydrophobicContact CB-CG2 3.99Å; C38-I66 WeakPolarHBondContact O-CD1 3.49Å; V39-I66 HydrophobicContact CB-CD1 4.49Å; V39-I66 HydrophobicContact CG2-CD1 3.92Å; V64-I66 HydrophobicContact CG1-CD1 4.4Å; V64-I66 HydrophobicContact CG1-CG1 4.14Å; I66-V105 HydrophobicContact CD1-CG1 3.42Å; I66-V105 VanDerWaalsContact CD1-CG1 3.42Å; I66-V105 HydrophobicContact CG1-CG1 3.98Å; I66-H106 PolarHBondContact N-O 2.8Å; I66-I107 HydrophobicContact CB-CG2 4.07Å; I66-I107 HydrophobicContact CD1-CG2 4.4Å; I66-I107 HydrophobicContact CG1-CG2 4.49Å; I66-I107 WeakPolarHBondContact O-CA 3.47Å; I66-S108 PolarHBondContact O-N 2.76Å; I66-T111 HydrophobicContact CG2-CG2 3.95Å; I66-T111 PolarHBondContact O-OG1 3.18Å
67	H	91.1	Very high	81	Confident	12 Å²	12	54.2 Å²	54.2	6%	0.056	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.8	175.9	-175.5	67.3	0	0	0	112.4	L2 D89 A93 S108 S110 T111	L2-H67 PolarHBondContact N-O 3.04Å; L2-H67 VanDerWaalsContact N-O 3.08Å; L2-H67 PolarHBondContact O-N 2.97Å; L2-H67 VanDerWaalsContact O-O 3.13Å; H67-D89 PolarHBondContact CD2-O 3.41Å; H67-D89 VanDerWaalsContact CD2-O 3.25Å; H67-D89 IonicContact NE2-OD1 3.28Å; H67-D89 PolarHBondContact NE2-OD1 2.72Å; H67-A93 HydrophobicContact CB-CB 3.82Å; H67-S108 VanDerWaalsContact ND1-CB 3.26Å; H67-S108 WeakPolarHBondContact ND1-CB 3.48Å; H67-S108 PolarHBondContact ND1-OG 2.91Å; H67-S110 PolarHBondContact CE1-OG 3.03Å; H67-S110 PolarHBondContact ND1-OG 3.48Å; H67-T111 WeakPolarHBondContact CA-OG1 3.44Å
68	T	89.2	Confident	80.2	Confident	15 Å²	15	56.2 Å²	56.2	9%	0.092	30%	0.303	C	S	.	.			trans	-90.3	113.4	170.4	-56.9	0	0	0	0	109.3	M1 S110 T111 F114	M1-T68 WeakPolarHBondContact CE-OG1 3.4Å; M1-T68 PolarHBondContact SD-OG1 3.11Å; M1-T68 VanDerWaalsContact SD-OG1 3.41Å; T68-S110 VanDerWaalsContact O-CB 3.32Å; T68-S110 WeakPolarHBondContact O-CB 3.11Å; T68-S110 PolarHBondContact O-OG 3.03Å; T68-T111 PolarHBondContact N-OG1 3.49Å; T68-T111 WeakPolarHBondContact OG1-CA 2.99Å; T68-T111 PolarHBondContact OG1-OG1 3.34Å; T68-T111 VanDerWaalsContact OG1-OG1 3.07Å; T68-F114 HydrophobicContact CG2-CD2 3.78Å; T68-F114 HydrophobicContact CG2-CE2 3.65Å; T68-F114 HydrophobicContact CG2-CZ 4.42Å
69	G	86.3	Confident	80.1	Confident	21 Å²	21	58.5 Å²	58.5	22%	0.216	31%	0.313	C	S	.	.			trans	-158	-174.6	174.8	0	0	0	0	0	112	M1	M1-G69 PolarHBondContact N-O 3.3Å
70	T	82.1	Confident	79.2	Confident	109 Å²	109	55.4 Å²	55.4	67%	0.669	30%	0.295	S	S	*	.			trans	-88.1	138.7	176.5	54	0	0	0	0	110.9	S87 D89	T70-S87 WeakPolarHBondContact O-CB 3.4Å; T70-S87 PolarHBondContact O-OG 2.71Å; T70-D89 WeakPolarHBondContact CA-OD2 3.45Å; T70-D89 PolarHBondContact N-OD2 2.71Å; T70-D89 WeakPolarHBondContact O-CB 3.45Å; T70-D89 PolarHBondContact OG1-OD2 2.91Å
71	V	76.2	Confident	78.7	Confident	39 Å²	39	60.1 Å²	60.1	24%	0.236	31%	0.314	C	S	.	.			trans	-131.7	138.1	179.8	-65.9	0	0	0	0	110.7	L2 V24 V85 V90	L2-V71 HydrophobicContact CB-CG1 4.4Å; L2-V71 HydrophobicContact CD1-CG1 4.17Å; V24-V71 HydrophobicContact CG1-CG2 4.35Å; V71-V85 HydrophobicContact CB-CG1 3.53Å; V71-V85 HydrophobicContact CG1-CG1 3.92Å; V71-V85 HydrophobicContact CG2-CG1 4.01Å; V71-V90 HydrophobicContact CG1-CG2 4.35Å
72	L	74.2	Confident	78.3	Confident	128 Å²	128	61.7 Å²	61.7	67%	0.67	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	108.8	167.4	-174.6	75.7	0	0	0	107.5	F86	L72-F86 VanDerWaalsContact CB-O 3.31Å; L72-F86 WeakPolarHBondContact CB-O 3.24Å; L72-F86 PolarHBondContact N-O 3.03Å; L72-F86 PolarHBondContact O-N 2.87Å
73	C	75.1	Confident	77.6	Confident	37 Å²	37	66.4 Å²	66.4	25%	0.25	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	140	172.2	56.5	0	0	0	0	110.7	C27 F83 D84	C27-C73 VanDerWaalsContact SG-SG 3.66Å; C73-F83 HydrophobicContact CB-CE1 3.84Å; C73-F83 HydrophobicContact CB-CE2 3.84Å; C73-F83 HydrophobicContact CB-CZ 3.27Å; C73-D84 WeakPolarHBondContact CA-O 3.12Å
74	G	70.7	Confident	77	Confident	28 Å²	28	66.9 Å²	66.9	29%	0.289	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	165.9	179.3	0	0	0	0	0	112	F83 D84	G74-F83 CarbonylContact O-C 3.58Å; G74-F83 WeakPolarHBondContact O-CA 3.5Å; G74-D84 PolarHBondContact N-O 3Å; G74-D84 PolarHBondContact O-N 2.75Å
75	I	73.8	Confident	76.1	Confident	99 Å²	99	67.4 Å²	67.4	51%	0.508	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	120.9	171.6	-54.3	178.1	0	0	0	107.6	F81 K82 A189	I75-F81 HydrophobicContact CG2-CB 3.53Å; I75-F81 HydrophobicContact CG2-CD1 3.54Å; I75-F81 HydrophobicContact CG2-CG 3.92Å; I75-K82 CarbonylContact C-O 3.46Å; I75-K82 WeakPolarHBondContact CA-O 3.37Å; I75-A189 HydrophobicContact CD1-CB 4.16Å
76	V	74.7	Confident	75.2	Confident	66 Å²	66	72.3 Å²	72.3	40%	0.4	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.8	179	-174.2	0	0	0	0	109.7	F81 K82 D84 F86	V76-F81 CarbonylContact O-C 3.6Å; V76-F81 WeakPolarHBondContact O-CA 3.36Å; V76-K82 PolarHBondContact N-O 3Å; V76-K82 PolarHBondContact O-N 3.28Å; V76-D84 HydrophobicContact CB-CB 4.42Å; V76-D84 HydrophobicContact CG2-CB 3.8Å; V76-F86 HydrophobicContact CG2-CE2 3.53Å; V76-F86 HydrophobicContact CG2-CZ 3.85Å
77	G	67.9	Low	74.6	Confident	38 Å²	38	73.9 Å²	73.9	39%	0.392	38%	0.38	S	S	.	.			trans	114	150.3	177.2	0	0	0	0	0	112.1	F81	G77-F81 WeakPolarHBondContact O-CD1 3.31Å; G77-F81 WeakPolarHBondContact O-CE1 3Å
78	R	65.9	Low	74.1	Confident	221 Å²	221	79.6 Å²	79.6	83%	0.834	41%	0.411	S	S	*	.	S	Bend	trans	-102.6	-30.9	174.9	-76.6	-175.6	175.6	168.7	-1.5	113.3
79	Q	72.1	Confident	73.9	Confident	118 Å²	118	80.3 Å²	80.3	55%	0.551	41%	0.414	S	S	*	.	S	Bend	trans	-110.7	-39.2	177.8	-80.8	179.9	0.5	0	0	112.4	I169	Q79-I169 HydrophobicContact CG-CB 4.38Å; Q79-I169 WeakPolarHBondContact O-CD1 3.46Å
80	R	62.5	Low	73.6	Confident	98 Å²	98	80.4 Å²	80.4	37%	0.37	41%	0.411	S	S	.	.	S	Bend	trans	-116.6	96.3	173.2	-77.6	-176.4	145.2	136.1	3.1	108.2	K82 L166	R80-K82 PolarHBondContact O-N 3.13Å; R80-L166 HydrophobicContact CG-CD1 3.64Å; R80-L166 VanDerWaalsContact NH2-CD1 3.34Å
81	F	70.7	Confident	73.6	Confident	114 Å²	114	79.9 Å²	79.9	50%	0.5	40%	0.404	S	S	.	.			trans	-67.2	124.2	174.4	-66.1	-71.2	0	0	0	109.3	I75 V76 G77 I174	I75-F81 HydrophobicContact CG2-CB 3.53Å; I75-F81 HydrophobicContact CG2-CD1 3.54Å; I75-F81 HydrophobicContact CG2-CG 3.92Å; V76-F81 CarbonylContact O-C 3.6Å; V76-F81 WeakPolarHBondContact O-CA 3.36Å; G77-F81 WeakPolarHBondContact O-CD1 3.31Å; G77-F81 WeakPolarHBondContact O-CE1 3Å; F81-I174 HydrophobicContact CE2-CD1 4.43Å; F81-I174 HydrophobicContact CE2-CG1 4.16Å; F81-I174 HydrophobicContact CZ-CD1 3.97Å; F81-I174 HydrophobicContact CZ-CG1 4.01Å; F81-I174 HydrophobicContact CZ-CG2 4.17Å
82	K	71.4	Confident	74.1	Confident	96 Å²	96	79.9 Å²	79.9	42%	0.417	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.5	171.8	-66.1	-173.5	178.3	-172.5	0	107.8	I75 V76 R80 D84 M157	I75-K82 CarbonylContact C-O 3.46Å; I75-K82 WeakPolarHBondContact CA-O 3.37Å; V76-K82 PolarHBondContact N-O 3Å; V76-K82 PolarHBondContact O-N 3.28Å; R80-K82 PolarHBondContact O-N 3.13Å; K82-D84 PolarHBondContact O-N 3.3Å; K82-M157 HydrophobicContact CB-CE 4.35Å
83	F	68.4	Low	74.6	Confident	111 Å²	111	73.8 Å²	73.8	49%	0.487	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	123.3	165.3	-173.2	-95.6	0	0	0	107.6	C73 G74 V85 M157	C73-F83 HydrophobicContact CB-CE1 3.84Å; C73-F83 HydrophobicContact CB-CE2 3.84Å; C73-F83 HydrophobicContact CB-CZ 3.27Å; G74-F83 CarbonylContact O-C 3.58Å; G74-F83 WeakPolarHBondContact O-CA 3.5Å; F83-V85 HydrophobicContact CD1-CG2 4.33Å; F83-V85 HydrophobicContact CE1-CG2 3.97Å; F83-M157 WeakPolarHBondContact O-CE 3.47Å
84	D	72.5	Confident	75	Confident	54 Å²	54	75 Å²	75	29%	0.289	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.3	-177.4	-155.2	-7.5	0	0	0	109.6	C73 G74 V76 K82 F86	C73-D84 WeakPolarHBondContact CA-O 3.12Å; G74-D84 PolarHBondContact N-O 3Å; G74-D84 PolarHBondContact O-N 2.75Å; V76-D84 HydrophobicContact CB-CB 4.42Å; V76-D84 HydrophobicContact CG2-CB 3.8Å; K82-D84 PolarHBondContact O-N 3.3Å; D84-F86 HydrophobicContact CB-CE2 3.62Å; D84-F86 HydrophobicContact CB-CZ 3.75Å; D84-F86 WeakPolarHBondContact OD2-CZ 3.32Å
85	V	70.2	Confident	75.8	Confident	12 Å²	12	76 Å²	76	7%	0.073	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.4	-172	-166.4	0	0	0	0	108.4	L2 V24 V71 F83 V90	L2-V85 HydrophobicContact CD1-CB 4.27Å; L2-V85 HydrophobicContact CD1-CG1 3.76Å; V24-V85 HydrophobicContact CG2-CG2 4.34Å; V71-V85 HydrophobicContact CB-CG1 3.53Å; V71-V85 HydrophobicContact CG1-CG1 3.92Å; V71-V85 HydrophobicContact CG2-CG1 4.01Å; F83-V85 HydrophobicContact CD1-CG2 4.33Å; F83-V85 HydrophobicContact CE1-CG2 3.97Å; V85-V90 HydrophobicContact CG1-CG2 4.27Å
86	F	73.6	Confident	76.6	Confident	103 Å²	103	71.5 Å²	71.5	45%	0.452	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.8	-179.6	-55.9	-81.9	0	0	0	110	L72 V76 D84	L72-F86 VanDerWaalsContact CB-O 3.31Å; L72-F86 WeakPolarHBondContact CB-O 3.24Å; L72-F86 PolarHBondContact N-O 3.03Å; L72-F86 PolarHBondContact O-N 2.87Å; V76-F86 HydrophobicContact CG2-CE2 3.53Å; V76-F86 HydrophobicContact CG2-CZ 3.85Å; D84-F86 HydrophobicContact CB-CE2 3.62Å; D84-F86 HydrophobicContact CB-CZ 3.75Å; D84-F86 WeakPolarHBondContact OD2-CZ 3.32Å
87	S	77.8	Confident	77.1	Confident	33 Å²	33	69.3 Å²	69.3	23%	0.231	33%	0.334	C	S	.	.			trans	-169.7	156.4	166.6	-175.7	0	0	0	0	109.8	T70 D89 V90	T70-S87 WeakPolarHBondContact O-CB 3.4Å; T70-S87 PolarHBondContact O-OG 2.71Å; S87-D89 PolarHBondContact O-N 2.83Å; S87-D89 PolarHBondContact OG-N 3.49Å; S87-D89 VanDerWaalsContact OG-N 3.11Å; S87-V90 VanDerWaalsContact O-CB 3.31Å; S87-V90 WeakPolarHBondContact O-CB 3.48Å; S87-V90 PolarHBondContact O-N 3.28Å
88	N	81	Confident	78	Confident	131 Å²	131	70.7 Å²	70.7	70%	0.701	34%	0.338	S	S	*	.	H	α-helix	trans	-59	-25.2	165.4	-60.8	-22.2	0	0	0	111.3	V90 D91 L92	N88-V90 VanDerWaalsContact C-N 3.29Å; N88-V90 PolarHBondContact O-N 2.88Å; N88-D91 PolarHBondContact O-N 2.63Å; N88-L92 PolarHBondContact O-N 2.98Å
89	D	85	Confident	79.1	Confident	31 Å²	31	62.6 Å²	62.6	17%	0.166	31%	0.313	C	S	.	.	H	α-helix	trans	-71.8	-22.6	176.2	-64.6	-37.6	0	0	0	112.3	H67 T70 S87 L92 A93	H67-D89 PolarHBondContact CD2-O 3.41Å; H67-D89 VanDerWaalsContact CD2-O 3.25Å; H67-D89 IonicContact NE2-OD1 3.28Å; H67-D89 PolarHBondContact NE2-OD1 2.72Å; T70-D89 WeakPolarHBondContact CA-OD2 3.45Å; T70-D89 PolarHBondContact N-OD2 2.71Å; T70-D89 WeakPolarHBondContact O-CB 3.45Å; T70-D89 PolarHBondContact OG1-OD2 2.91Å; S87-D89 PolarHBondContact O-N 2.83Å; S87-D89 PolarHBondContact OG-N 3.49Å; S87-D89 VanDerWaalsContact OG-N 3.11Å; D89-L92 PolarHBondContact O-N 3.43Å; D89-A93 PolarHBondContact O-N 3.34Å
90	V	79.5	Confident	79.9	Confident	23 Å²	23	57.6 Å²	57.6	14%	0.139	29%	0.293	C	S	.	.	H	α-helix	trans	-69.2	-41.1	171.8	-179.7	0	0	0	0	109.9	L2 I4 V71 V85 S87 N88 L92 A93 N94	L2-V90 HydrophobicContact CD1-CG2 4.48Å; L2-V90 HydrophobicContact CD2-CB 4.23Å; L2-V90 HydrophobicContact CD2-CG1 3.98Å; L2-V90 HydrophobicContact CD2-CG2 3.99Å; I4-V90 HydrophobicContact CD1-CG1 4.47Å; V71-V90 HydrophobicContact CG1-CG2 4.35Å; V85-V90 HydrophobicContact CG1-CG2 4.27Å; S87-V90 VanDerWaalsContact O-CB 3.31Å; S87-V90 WeakPolarHBondContact O-CB 3.48Å; S87-V90 PolarHBondContact O-N 3.28Å; N88-V90 VanDerWaalsContact C-N 3.29Å; N88-V90 PolarHBondContact O-N 2.88Å; V90-L92 VanDerWaalsContact C-N 3.29Å; V90-L92 PolarHBondContact O-N 2.84Å; V90-A93 WeakPolarHBondContact O-CB 3.31Å; V90-A93 PolarHBondContact O-N 2.77Å; V90-A93 VanDerWaalsContact O-N 3.11Å; V90-N94 PolarHBondContact O-N 3.43Å
91	D	82.7	Confident	81.2	Confident	98 Å²	98	57.4 Å²	57.4	52%	0.524	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-38.8	175.8	-63.7	-32.7	0	0	0	111.3	N88 A93 N94 M95	N88-D91 PolarHBondContact O-N 2.63Å; D91-A93 VanDerWaalsContact C-N 3.35Å; D91-N94 PolarHBondContact O-N 2.9Å; D91-M95 WeakPolarHBondContact O-CB 3.43Å; D91-M95 VanDerWaalsContact O-CG 3.27Å; D91-M95 WeakPolarHBondContact O-CG 3.41Å; D91-M95 PolarHBondContact O-N 2.82Å
92	L	86.4	Confident	82	Confident	39 Å²	39	54.1 Å²	54.1	20%	0.204	29%	0.287	C	S	.	.	H	α-helix	trans	-64.1	-38.5	173.1	-70.2	175.9	0	0	0	112.1	N88 D89 V90 M95 M96 Y127 L131	N88-L92 PolarHBondContact O-N 2.98Å; D89-L92 PolarHBondContact O-N 3.43Å; V90-L92 VanDerWaalsContact C-N 3.29Å; V90-L92 PolarHBondContact O-N 2.84Å; L92-M95 WeakPolarHBondContact O-CB 3.47Å; L92-M95 PolarHBondContact O-N 3.43Å; L92-M96 WeakPolarHBondContact O-CG 3.48Å; L92-M96 PolarHBondContact O-N 3.2Å; L92-Y127 HydrophobicContact CD2-CD1 4.26Å; L92-Y127 HydrophobicContact CD2-CE1 3.98Å; L92-L131 HydrophobicContact CD2-CD1 3.87Å
93	A	85.3	Confident	82.9	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-46.7	174.6	0	0	0	0	0	112.1	L2 I4 H67 D89 V90 D91 M95 M96 E97	L2-A93 HydrophobicContact CD2-CB 3.91Å; I4-A93 HydrophobicContact CD1-CB 4.08Å; I4-A93 HydrophobicContact CG1-CB 4.25Å; H67-A93 HydrophobicContact CB-CB 3.82Å; D89-A93 PolarHBondContact O-N 3.34Å; V90-A93 WeakPolarHBondContact O-CB 3.31Å; V90-A93 PolarHBondContact O-N 2.77Å; V90-A93 VanDerWaalsContact O-N 3.11Å; D91-A93 VanDerWaalsContact C-N 3.35Å; A93-M95 PolarHBondContact O-N 3.08Å; A93-M96 WeakPolarHBondContact O-CB 3.37Å; A93-M96 PolarHBondContact O-N 2.87Å; A93-E97 PolarHBondContact O-N 2.9Å; A93-E97 VanDerWaalsContact O-N 3.08Å
94	N	83.4	Confident	84	Confident	63 Å²	63	50.1 Å²	50.1	34%	0.337	28%	0.276	S	S	.	.	H	α-helix	trans	-58.6	-37.7	173.6	-75	-29.1	0	0	0	111.5	I4 V90 D91 E97 S98	I4-N94 WeakPolarHBondContact CD1-OD1 3.41Å; V90-N94 PolarHBondContact O-N 3.43Å; D91-N94 PolarHBondContact O-N 2.9Å; N94-E97 PolarHBondContact O-N 3.19Å; N94-S98 WeakPolarHBondContact O-CB 3.44Å; N94-S98 PolarHBondContact O-N 3.08Å; N94-S98 PolarHBondContact O-OG 3.48Å
95	M	87.1	Confident	85	Confident	48 Å²	48	47.6 Å²	47.6	24%	0.236	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-40	173.9	-76.7	-66.1	-24.8	0	0	112.3	D91 L92 A93 E97 S98 T99 Y127	D91-M95 WeakPolarHBondContact O-CB 3.43Å; D91-M95 VanDerWaalsContact O-CG 3.27Å; D91-M95 WeakPolarHBondContact O-CG 3.41Å; D91-M95 PolarHBondContact O-N 2.82Å; L92-M95 WeakPolarHBondContact O-CB 3.47Å; L92-M95 PolarHBondContact O-N 3.43Å; A93-M95 PolarHBondContact O-N 3.08Å; M95-E97 VanDerWaalsContact C-N 3.32Å; M95-E97 PolarHBondContact O-N 3.27Å; M95-S98 WeakPolarHBondContact CA-OG 3.14Å; M95-S98 PolarHBondContact O-OG 3.39Å; M95-T99 HydrophobicContact CE-CG2 3.6Å; M95-T99 WeakPolarHBondContact O-CB 3.31Å; M95-T99 PolarHBondContact O-N 2.76Å; M95-T99 PolarHBondContact O-OG1 2.89Å; M95-Y127 HydrophobicContact CB-CE2 4.43Å; M95-Y127 HydrophobicContact CE-CD2 3.72Å; M95-Y127 HydrophobicContact CE-CE2 3.33Å; M95-Y127 HydrophobicContact CG-CE2 3.88Å; M95-Y127 HydrophobicContact SD-CD2 4.49Å; M95-Y127 HydrophobicContact SD-CE2 3.59Å; M95-Y127 VanDerWaalsContact SD-CE2 3.59Å
96	M	90.2	Very high	86.1	Confident	5 Å²	5	47 Å²	47	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-38.5	176.2	-62.9	-55.6	85.1	0	0	111.6	L92 A93 G100 H106 T133	L92-M96 WeakPolarHBondContact O-CG 3.48Å; L92-M96 PolarHBondContact O-N 3.2Å; A93-M96 WeakPolarHBondContact O-CB 3.37Å; A93-M96 PolarHBondContact O-N 2.87Å; M96-G100 PolarHBondContact O-N 2.96Å; M96-G100 VanDerWaalsContact O-N 3.12Å; M96-H106 PolarHBondContact O-ND1 3.07Å; M96-T133 HydrophobicContact CE-CG2 3.67Å; M96-T133 HydrophobicContact SD-CG2 3.56Å; M96-T133 VanDerWaalsContact SD-CG2 3.56Å
97	E	86.1	Confident	87.1	Confident	20 Å²	20	42.1 Å²	42.1	9%	0.093	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-54.4	175.3	-177.8	-75.2	129.3	0	0	110.9	H6 R63 A93 N94 M95 T99 G100	H6-E97 HydrophobicContact CB-CG 3.75Å; H6-E97 VanDerWaalsContact CB-OE1 3.23Å; H6-E97 WeakPolarHBondContact CB-OE1 3.45Å; H6-E97 IonicContact CG-OE1 3.9Å; R63-E97 HydrophobicContact CB-CG 4.39Å; R63-E97 IonicContact CZ-OE1 2.69Å; R63-E97 IonicContact NE-OE1 3.98Å; R63-E97 PolarHBondContact NE-OE1 2.86Å; R63-E97 IonicContact NH2-OE1 3.58Å; A93-E97 PolarHBondContact O-N 2.9Å; A93-E97 VanDerWaalsContact O-N 3.08Å; N94-E97 PolarHBondContact O-N 3.19Å; M95-E97 VanDerWaalsContact C-N 3.32Å; M95-E97 PolarHBondContact O-N 3.27Å; E97-T99 PolarHBondContact O-N 3.41Å; E97-G100 WeakPolarHBondContact O-CA 3.2Å; E97-G100 PolarHBondContact O-N 3.21Å
98	S	85.4	Confident	87.8	Confident	67 Å²	67	40.9 Å²	40.9	47%	0.469	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-26.8	-174.7	56.8	0	0	0	0	114.5	N94 M95	N94-S98 WeakPolarHBondContact O-CB 3.44Å; N94-S98 PolarHBondContact O-N 3.08Å; N94-S98 PolarHBondContact O-OG 3.48Å; M95-S98 WeakPolarHBondContact CA-OG 3.14Å; M95-S98 PolarHBondContact O-OG 3.39Å
99	T	89.4	Confident	88.4	Confident	50 Å²	50	37.4 Å²	37.4	31%	0.307	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	4.4	174.1	58	0	0	0	0	112.9	M95 E97 H106	M95-T99 HydrophobicContact CE-CG2 3.6Å; M95-T99 WeakPolarHBondContact O-CB 3.31Å; M95-T99 PolarHBondContact O-N 2.76Å; M95-T99 PolarHBondContact O-OG1 2.89Å; E97-T99 PolarHBondContact O-N 3.41Å; T99-H106 PolarHBondContact OG1-CE1 3.38Å; T99-H106 PolarHBondContact OG1-ND1 3.08Å
100	G	88.4	Confident	88.7	Confident	13 Å²	13	37.5 Å²	37.5	13%	0.134	21%	0.212	C	C	.	.			trans	-74.2	164.2	177.6	0	0	0	0	0	112.8	R63 M96 E97	R63-G100 VanDerWaalsContact CD-O 3.31Å; R63-G100 WeakPolarHBondContact CD-O 3.48Å; M96-G100 PolarHBondContact O-N 2.96Å; M96-G100 VanDerWaalsContact O-N 3.12Å; E97-G100 WeakPolarHBondContact O-CA 3.2Å; E97-G100 PolarHBondContact O-N 3.21Å
101	Q	90.5	Very high	89.3	Confident	94 Å²	94	36.4 Å²	36.4	44%	0.439	21%	0.205	S	C	.	.			trans	-104.8	141.5	174.2	-66.9	178.2	35.7	0	0	109.4	G103 R104 F135	Q101-G103 PolarHBondContact O-N 3.12Å; Q101-R104 HydrophobicContact CB-CB 4.15Å; Q101-R104 HydrophobicContact CB-CG 4.13Å; Q101-R104 WeakPolarHBondContact O-CB 3.14Å; Q101-R104 PolarHBondContact O-N 2.96Å; Q101-R104 VanDerWaalsContact O-N 3.09Å; Q101-F135 HydrophobicContact CB-CE1 4.14Å; Q101-F135 HydrophobicContact CB-CZ 4.41Å; Q101-F135 HydrophobicContact CG-CE1 4.04Å; Q101-F135 HydrophobicContact CG-CE2 4.48Å; Q101-F135 HydrophobicContact CG-CZ 3.79Å
102	S	88.6	Confident	89.8	Confident	45 Å²	45	32.3 Å²	32.3	32%	0.315	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	133.9	179.5	-62.2	0	0	0	0	110.5	E8 R104	E8-S102 PolarHBondContact OE2-OG 3.43Å; S102-R104 VanDerWaalsContact C-N 3.29Å; S102-R104 PolarHBondContact O-N 2.85Å
103	G	89.3	Confident	90	Very high	31 Å²	31	37.6 Å²	37.6	32%	0.32	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	9.7	-174.2	0	0	0	0	0	114.8	M62 Q101	M62-G103 PolarHBondContact O-N 2.79Å; Q101-G103 PolarHBondContact O-N 3.12Å
104	R	92.1	Very high	90.2	Very high	92 Å²	92	42.8 Å²	42.8	35%	0.347	23%	0.229	S	C	.	.	S	Bend	trans	-125.9	150.1	-179.9	-62.8	-83.8	-113.8	-96.9	1.3	111	Q101 S102 E122 F135	Q101-R104 HydrophobicContact CB-CB 4.15Å; Q101-R104 HydrophobicContact CB-CG 4.13Å; Q101-R104 WeakPolarHBondContact O-CB 3.14Å; Q101-R104 PolarHBondContact O-N 2.96Å; Q101-R104 VanDerWaalsContact O-N 3.09Å; S102-R104 VanDerWaalsContact C-N 3.29Å; S102-R104 PolarHBondContact O-N 2.85Å; R104-E122 IonicContact CZ-OE2 3.97Å; R104-E122 IonicContact NH2-OE1 3.53Å; R104-E122 IonicContact NH2-OE2 3.46Å; R104-E122 PolarHBondContact NH2-OE2 2.93Å; R104-F135 HydrophobicContact CB-CD1 4.02Å
105	V	92.7	Very high	90.5	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	115.8	171.2	-177.8	0	0	0	0	109.7	L43 I46 V64 I66 I107 F135 I136	L43-V105 HydrophobicContact CD2-CG2 3.8Å; L43-V105 HydrophobicContact CG-CG2 4.11Å; I46-V105 HydrophobicContact CD1-CG2 3.52Å; V64-V105 HydrophobicContact CB-CB 4.45Å; V64-V105 HydrophobicContact CB-CG1 4.41Å; V64-V105 HydrophobicContact CB-CG2 4.16Å; V64-V105 HydrophobicContact CG1-CG1 4.22Å; V64-V105 HydrophobicContact CG1-CG2 4.37Å; V64-V105 HydrophobicContact CG2-CG2 4.26Å; I66-V105 HydrophobicContact CD1-CG1 3.42Å; I66-V105 VanDerWaalsContact CD1-CG1 3.42Å; I66-V105 HydrophobicContact CG1-CG1 3.98Å; V105-I107 HydrophobicContact CG1-CG2 3.93Å; V105-F135 WeakPolarHBondContact O-CA 3.44Å; V105-I136 HydrophobicContact CB-CB 4.19Å; V105-I136 HydrophobicContact CB-CG1 3.91Å; V105-I136 HydrophobicContact CG1-CG1 3.99Å; V105-I136 PolarHBondContact O-N 3.19Å
106	H	94	Very high	90.4	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.4	177.7	-167.3	-159.8	0	0	0	110.5	V64 G65 I66 M96 T99 T133 F134 F135	V64-H106 WeakPolarHBondContact O-CB 3.48Å; V64-H106 PolarHBondContact O-N 2.89Å; G65-H106 CarbonylContact C-O 3.45Å; G65-H106 WeakPolarHBondContact CA-O 3.38Å; I66-H106 PolarHBondContact N-O 2.8Å; M96-H106 PolarHBondContact O-ND1 3.07Å; T99-H106 PolarHBondContact OG1-CE1 3.38Å; T99-H106 PolarHBondContact OG1-ND1 3.08Å; H106-T133 WeakPolarHBondContact NE2-CB 3.47Å; H106-T133 PolarHBondContact NE2-OG1 3.18Å; H106-F134 PolarHBondContact CD2-O 2.86Å; H106-F135 HydrophobicContact CB-CD1 3.91Å; H106-F135 HydrophobicContact CB-CE1 3.63Å; H106-F135 AromaticContact CD2-CD1 3.92Å; H106-F135 AromaticContact CD2-CE1 3.6Å; H106-F135 AromaticContact CD2-CZ 3.81Å; H106-F135 AromaticContact CG-CE1 3.58Å
107	I	94	Very high	90.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.2	-174.9	70.4	166.4	0	0	0	111.9	V39 I66 V105 T111 A112 L115 L121 T133 F134 I136	V39-I107 HydrophobicContact CG2-CG2 4.36Å; I66-I107 HydrophobicContact CB-CG2 4.07Å; I66-I107 HydrophobicContact CD1-CG2 4.4Å; I66-I107 HydrophobicContact CG1-CG2 4.49Å; I66-I107 WeakPolarHBondContact O-CA 3.47Å; V105-I107 HydrophobicContact CG1-CG2 3.93Å; I107-T111 HydrophobicContact CB-CG2 4.21Å; I107-T111 HydrophobicContact CG2-CG2 4.36Å; I107-A112 HydrophobicContact CD1-CB 3.92Å; I107-L115 HydrophobicContact CD1-CD1 3.47Å; I107-L115 VanDerWaalsContact CD1-CD1 3.47Å; I107-L121 HydrophobicContact CD1-CD1 4.47Å; I107-L121 HydrophobicContact CD1-CD2 3.9Å; I107-T133 WeakPolarHBondContact O-CA 3.06Å; I107-T133 WeakPolarHBondContact O-CB 3.16Å; I107-F134 HydrophobicContact CD1-CB 4.25Å; I107-F134 HydrophobicContact CG1-CB 3.83Å; I107-F134 VanDerWaalsContact CG1-O 3.31Å; I107-F134 WeakPolarHBondContact CG1-O 3.38Å; I107-F134 PolarHBondContact N-O 2.97Å; I107-F134 PolarHBondContact O-N 3.32Å; I107-I136 HydrophobicContact CD1-CD1 3.77Å; I107-I136 HydrophobicContact CG1-CD1 4.42Å; I107-I136 HydrophobicContact CG2-CD1 4.19Å; I107-I136 HydrophobicContact CG2-CG1 4.16Å
108	S	93.3	Very high	90.3	Very high	7 Å²	7	48.9 Å²	48.9	5%	0.049	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	158.8	169.2	61.1	0	0	0	0	112.4	I66 H67 S110 T111 A112	I66-S108 PolarHBondContact O-N 2.76Å; H67-S108 VanDerWaalsContact ND1-CB 3.26Å; H67-S108 WeakPolarHBondContact ND1-CB 3.48Å; H67-S108 PolarHBondContact ND1-OG 2.91Å; S108-S110 PolarHBondContact O-N 3.01Å; S108-S110 PolarHBondContact OG-OG 3.02Å; S108-T111 WeakPolarHBondContact O-CB 3.31Å; S108-T111 PolarHBondContact O-N 3.2Å; S108-T111 PolarHBondContact OG-N 2.9Å; S108-T111 PolarHBondContact OG-OG1 2.82Å; S108-A112 PolarHBondContact O-N 3.38Å
109	E	93.5	Very high	90.6	Very high	59 Å²	59	46.3 Å²	46.3	28%	0.276	25%	0.252	S	S	.	.	H	α-helix	trans	-54.1	-35.1	169.8	179.9	-176.9	-138	0	0	112.8	T111 A112 K113 R132 F134	E109-T111 VanDerWaalsContact C-N 3.34Å; E109-T111 PolarHBondContact O-N 2.81Å; E109-A112 PolarHBondContact O-N 2.86Å; E109-K113 WeakPolarHBondContact O-CG 3.09Å; E109-K113 PolarHBondContact O-N 3.47Å; E109-K113 IonicContact OE2-NZ 3.82Å; E109-R132 HydrophobicContact CB-CB 4.42Å; E109-R132 VanDerWaalsContact CB-O 3.28Å; E109-R132 WeakPolarHBondContact CB-O 3.42Å; E109-R132 PolarHBondContact N-O 3.24Å; E109-R132 VanDerWaalsContact N-O 3.09Å; E109-F134 HydrophobicContact CB-CE2 4.06Å; E109-F134 HydrophobicContact CG-CE2 4.37Å
110	S	91.4	Very high	90.8	Very high	32 Å²	32	47.9 Å²	47.9	22%	0.224	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-45.3	175.3	58.9	0	0	0	0	111.5	H67 T68 S108 K113 F114	H67-S110 PolarHBondContact CE1-OG 3.03Å; H67-S110 PolarHBondContact ND1-OG 3.48Å; T68-S110 VanDerWaalsContact O-CB 3.32Å; T68-S110 WeakPolarHBondContact O-CB 3.11Å; T68-S110 PolarHBondContact O-OG 3.03Å; S108-S110 PolarHBondContact O-N 3.01Å; S108-S110 PolarHBondContact OG-OG 3.02Å; S110-K113 PolarHBondContact O-N 3.38Å; S110-F114 WeakPolarHBondContact O-CD2 3.39Å
111	T	91.5	Very high	91	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.4	-42.3	176.5	-55.8	0	0	0	0	111.4	M1 A35 I66 H67 T68 I107 S108 E109 K113 F114 L115	M1-T111 HydrophobicContact CE-CG2 4.26Å; A35-T111 HydrophobicContact CB-CG2 4.33Å; I66-T111 HydrophobicContact CG2-CG2 3.95Å; I66-T111 PolarHBondContact O-OG1 3.18Å; H67-T111 WeakPolarHBondContact CA-OG1 3.44Å; T68-T111 PolarHBondContact N-OG1 3.49Å; T68-T111 WeakPolarHBondContact OG1-CA 2.99Å; T68-T111 PolarHBondContact OG1-OG1 3.34Å; T68-T111 VanDerWaalsContact OG1-OG1 3.07Å; I107-T111 HydrophobicContact CB-CG2 4.21Å; I107-T111 HydrophobicContact CG2-CG2 4.36Å; S108-T111 WeakPolarHBondContact O-CB 3.31Å; S108-T111 PolarHBondContact O-N 3.2Å; S108-T111 PolarHBondContact OG-N 2.9Å; S108-T111 PolarHBondContact OG-OG1 2.82Å; E109-T111 VanDerWaalsContact C-N 3.34Å; E109-T111 PolarHBondContact O-N 2.81Å; T111-K113 VanDerWaalsContact C-N 3.25Å; T111-K113 PolarHBondContact O-N 3Å; T111-F114 PolarHBondContact O-N 3.41Å; T111-L115 HydrophobicContact CG2-CD1 4.49Å; T111-L115 PolarHBondContact O-N 3.42Å
112	A	92.7	Very high	91.3	Very high	13 Å²	13	49.5 Å²	49.5	11%	0.107	26%	0.264	C	S	.	.	H	α-helix	trans	-56.2	-38.5	179.4	0	0	0	0	0	112.7	I107 S108 E109 F114 L115 L121 F134	I107-A112 HydrophobicContact CD1-CB 3.92Å; S108-A112 PolarHBondContact O-N 3.38Å; E109-A112 PolarHBondContact O-N 2.86Å; A112-F114 PolarHBondContact O-N 3.05Å; A112-L115 PolarHBondContact O-N 3.43Å; A112-L115 VanDerWaalsContact O-N 3.08Å; A112-L121 HydrophobicContact CB-CD1 3.78Å; A112-F134 HydrophobicContact CB-CD2 3.85Å; A112-F134 HydrophobicContact CB-CE2 4.1Å
113	K	91.6	Very high	91.5	Very high	150 Å²	150	53.7 Å²	53.7	65%	0.652	28%	0.279	S	S	*	.	H	α-helix	trans	-60.2	-26	176.6	-71	170	-177.6	168.6	0	113.7	E109 S110 T111	E109-K113 WeakPolarHBondContact O-CG 3.09Å; E109-K113 PolarHBondContact O-N 3.47Å; E109-K113 IonicContact OE2-NZ 3.82Å; S110-K113 PolarHBondContact O-N 3.38Å; T111-K113 VanDerWaalsContact C-N 3.25Å; T111-K113 PolarHBondContact O-N 3Å
114	F	89.8	Confident	91.6	Very high	109 Å²	109	52.9 Å²	52.9	48%	0.478	27%	0.27	S	S	.	.	H	α-helix	trans	-93.8	-7.8	178.4	-68.5	-83.6	0	0	0	113.7	H34 A35 T68 S110 T111 A112	H34-F114 AromaticContact CE1-CD1 3.89Å; H34-F114 AromaticContact CE1-CG 3.75Å; A35-F114 HydrophobicContact CB-CB 3.47Å; A35-F114 VanDerWaalsContact CB-CB 3.47Å; T68-F114 HydrophobicContact CG2-CD2 3.78Å; T68-F114 HydrophobicContact CG2-CE2 3.65Å; T68-F114 HydrophobicContact CG2-CZ 4.42Å; S110-F114 WeakPolarHBondContact O-CD2 3.39Å; T111-F114 PolarHBondContact O-N 3.41Å; A112-F114 PolarHBondContact O-N 3.05Å
115	L	89.5	Confident	91.6	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-85.8	-17.3	176.8	-65.8	175.4	0	0	0	112.8	A35 I36 V39 I107 T111 A112 N117 E118 Y119 L121 I136	A35-L115 HydrophobicContact CB-CD2 3.77Å; A35-L115 HydrophobicContact CB-CG 4.28Å; I36-L115 HydrophobicContact CG1-CD2 4.21Å; V39-L115 HydrophobicContact CB-CD2 4.34Å; V39-L115 HydrophobicContact CG2-CD1 3.96Å; V39-L115 HydrophobicContact CG2-CD2 3.78Å; V39-L115 HydrophobicContact CG2-CG 4.49Å; I107-L115 HydrophobicContact CD1-CD1 3.47Å; I107-L115 VanDerWaalsContact CD1-CD1 3.47Å; T111-L115 HydrophobicContact CG2-CD1 4.49Å; T111-L115 PolarHBondContact O-N 3.42Å; A112-L115 PolarHBondContact O-N 3.43Å; A112-L115 VanDerWaalsContact O-N 3.08Å; L115-N117 PolarHBondContact O-N 3.46Å; L115-E118 PolarHBondContact O-N 2.82Å; L115-Y119 HydrophobicContact CB-CD2 4.17Å; L115-Y119 HydrophobicContact CD1-CD2 4.39Å; L115-Y119 HydrophobicContact CD2-CD2 4.04Å; L115-Y119 HydrophobicContact CD2-CE2 3.92Å; L115-Y119 HydrophobicContact CG-CD2 4.43Å; L115-L121 HydrophobicContact CD1-CD2 4.41Å; L115-I136 HydrophobicContact CD1-CD1 3.82Å
116	G	85.2	Confident	91.3	Very high	48 Å²	48	55.2 Å²	55.2	50%	0.495	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	-131.2	-176.8	0	0	0	0	0	111.5
117	N	85.5	Confident	90.7	Very high	141 Å²	141	57.3 Å²	57.3	75%	0.754	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	43.4	178.2	-59.6	2.8	0	0	0	110	L115	L115-N117 PolarHBondContact O-N 3.46Å
118	E	87.3	Confident	90.2	Very high	71 Å²	71	64.4 Å²	64.4	33%	0.332	33%	0.334	S	S	.	.	S	Bend	trans	-96.3	-16.2	175.8	-61.5	-155.6	178.3	0	0	112.3	L115 E140 R145	L115-E118 PolarHBondContact O-N 2.82Å; E118-E140 PolarHBondContact O-N 3.4Å; E118-R145 IonicContact OE1-CZ 3.85Å; E118-R145 IonicContact OE1-NH2 3.84Å; E118-R145 PolarHBondContact OE1-NH2 3.15Å; E118-R145 IonicContact OE2-NH2 2.84Å
119	Y	92.2	Very high	89.4	Confident	12 Å²	12	71.3 Å²	71.3	5%	0.047	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144	-176.2	-59.5	-90.2	0	0	0	111.2	I36 V39 E40 L43 L115 I136 D138 K139	I36-Y119 HydrophobicContact CG1-CE2 4.44Å; V39-Y119 HydrophobicContact CG1-CD1 4.21Å; V39-Y119 HydrophobicContact CG1-CE1 3.78Å; V39-Y119 HydrophobicContact CG1-CE2 4.46Å; E40-Y119 PolarHBondContact OE1-OH 2.77Å; L43-Y119 HydrophobicContact CD1-CE1 4.3Å; L115-Y119 HydrophobicContact CB-CD2 4.17Å; L115-Y119 HydrophobicContact CD1-CD2 4.39Å; L115-Y119 HydrophobicContact CD2-CD2 4.04Å; L115-Y119 HydrophobicContact CD2-CE2 3.92Å; L115-Y119 HydrophobicContact CG-CD2 4.43Å; Y119-I136 HydrophobicContact CD1-CG2 3.96Å; Y119-D138 WeakPolarHBondContact CA-O 3.27Å; Y119-K139 HydrophobicContact CD1-CG 3.89Å; Y119-K139 HydrophobicContact CE1-CD 4.36Å; Y119-K139 HydrophobicContact CE1-CG 3.72Å
120	I	93	Very high	89	Confident	83 Å²	83	77 Å²	77	43%	0.426	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	121.3	168.6	-55.9	-176.9	0	0	0	107.5	A137 D138 E140	I120-A137 HydrophobicContact CB-CB 4.44Å; I120-A137 HydrophobicContact CG2-CB 4.2Å; I120-A137 WeakPolarHBondContact O-CB 3.45Å; I120-A137 PolarHBondContact O-N 3.15Å; I120-D138 HydrophobicContact CB-CB 4.42Å; I120-D138 HydrophobicContact CD1-CB 4.22Å; I120-D138 PolarHBondContact N-O 3.3Å; I120-E140 HydrophobicContact CG1-CB 4.28Å; I120-E140 HydrophobicContact CG1-CG 4.27Å
121	L	94.3	Very high	88.8	Confident	59 Å²	59	78.7 Å²	78.7	31%	0.309	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.3	-178.7	-56.9	-175.6	0	0	0	110.1	I107 A112 L115 F134 F135 I136	I107-L121 HydrophobicContact CD1-CD1 4.47Å; I107-L121 HydrophobicContact CD1-CD2 3.9Å; A112-L121 HydrophobicContact CB-CD1 3.78Å; L115-L121 HydrophobicContact CD1-CD2 4.41Å; L121-F134 HydrophobicContact CB-CB 4.18Å; L121-F134 HydrophobicContact CB-CD1 4.18Å; L121-F134 HydrophobicContact CB-CG 4.37Å; L121-F134 HydrophobicContact CD1-CG 4.36Å; L121-F135 WeakPolarHBondContact CA-O 3.45Å; L121-I136 HydrophobicContact CD2-CD1 3.48Å; L121-I136 VanDerWaalsContact CD2-CD1 3.48Å
122	E	95.1	Very high	88.8	Confident	83 Å²	83	84 Å²	84	39%	0.388	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	141.5	169.8	-178.1	-179.6	-171.6	0	0	109	R104 G124 F134 F135 A137	R104-E122 IonicContact CZ-OE2 3.97Å; R104-E122 IonicContact NH2-OE1 3.53Å; R104-E122 IonicContact NH2-OE2 3.46Å; R104-E122 PolarHBondContact NH2-OE2 2.93Å; E122-G124 PolarHBondContact O-N 2.83Å; E122-F134 CarbonylContact O-C 3.54Å; E122-F134 WeakPolarHBondContact O-CA 3.46Å; E122-F134 WeakPolarHBondContact O-CB 3.47Å; E122-F135 HydrophobicContact CB-CB 4.33Å; E122-F135 PolarHBondContact N-O 3.46Å; E122-F135 PolarHBondContact O-N 2.82Å; E122-A137 HydrophobicContact CB-CB 4.27Å
123	E	94	Very high	88.9	Confident	133 Å²	133	83.5 Å²	83.5	62%	0.621	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	130.4	177	-83	-157	146.7	0	0	111.7	R132 F134	E123-R132 IonicContact OE1-CZ 3.45Å; E123-R132 IonicContact OE1-NE 2.63Å; E123-R132 IonicContact OE1-NH2 3.49Å; E123-R132 PolarHBondContact OE1-NH2 3.42Å; E123-F134 HydrophobicContact CG-CE1 4.31Å
124	G	91.7	Very high	89.1	Confident	13 Å²	13	77.5 Å²	77.5	13%	0.134	39%	0.39	C	S	.	.			trans	-98.9	176.8	174.3	0	0	0	0	0	113.2	E122 V126 T133	E122-G124 PolarHBondContact O-N 2.83Å; G124-V126 PolarHBondContact O-N 3.25Å; G124-T133 VanDerWaalsContact C-OG1 3.23Å; G124-T133 WeakPolarHBondContact CA-O 3.32Å; G124-T133 WeakPolarHBondContact CA-OG1 3.26Å; G124-T133 PolarHBondContact N-O 2.71Å
125	P	91.1	Very high	89.4	Confident	63 Å²	63	72.5 Å²	72.5	41%	0.409	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-65.5	126.9	178.7	26.3	-33.9	0	0	0	112.1	Y127 T133	P125-Y127 PolarHBondContact O-N 3.49Å; P125-T133 PolarHBondContact O-OG1 3.11Å
126	V	86.4	Confident	89.6	Confident	80 Å²	80	72.6 Å²	72.6	49%	0.485	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-67.3	120.9	179.1	-174.7	0	0	0	0	110.7	G124 L131	G124-V126 PolarHBondContact O-N 3.25Å; V126-L131 WeakPolarHBondContact CA-O 3.42Å; V126-L131 WeakPolarHBondContact CG1-O 3.4Å
127	Y	81.8	Confident	89.8	Confident	44 Å²	44	73 Å²	73	17%	0.173	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-82.5	128	176.8	-179	-111.6	0	0	0	111.4	L92 M95 P125 N129 K130 L131	L92-Y127 HydrophobicContact CD2-CD1 4.26Å; L92-Y127 HydrophobicContact CD2-CE1 3.98Å; M95-Y127 HydrophobicContact CB-CE2 4.43Å; M95-Y127 HydrophobicContact CE-CD2 3.72Å; M95-Y127 HydrophobicContact CE-CE2 3.33Å; M95-Y127 HydrophobicContact CG-CE2 3.88Å; M95-Y127 HydrophobicContact SD-CD2 4.49Å; M95-Y127 HydrophobicContact SD-CE2 3.59Å; M95-Y127 VanDerWaalsContact SD-CE2 3.59Å; P125-Y127 PolarHBondContact O-N 3.49Å; Y127-N129 PolarHBondContact O-N 3.49Å; Y127-K130 PolarHBondContact O-N 3.04Å; Y127-L131 HydrophobicContact CD1-CB 4.43Å; Y127-L131 HydrophobicContact CD1-CD1 3.86Å; Y127-L131 HydrophobicContact CE1-CD1 4.5Å; Y127-L131 PolarHBondContact N-O 2.9Å; Y127-L131 PolarHBondContact O-N 3.44Å
128	K	82.5	Confident	89.7	Confident	148 Å²	148	71.2 Å²	71.2	64%	0.643	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	30.4	179.8	-71.2	179.1	171.6	158.8	0	114.1	K130	K128-K130 WeakPolarHBondContact O-CG 3.37Å; K128-K130 PolarHBondContact O-N 2.9Å
129	N	78.3	Confident	89.4	Confident	152 Å²	152	72.4 Å²	72.4	81%	0.813	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	25	-174.9	-67.4	-2.6	0	0	0	114.3	Y127	Y127-N129 PolarHBondContact O-N 3.49Å
130	K	84	Confident	88.6	Confident	180 Å²	180	76.4 Å²	76.4	78%	0.783	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.6	-34.4	-175.3	-73.5	-176.5	-178.5	-175.3	0	113.3	Y127 K128	Y127-K130 PolarHBondContact O-N 3.04Å; K128-K130 WeakPolarHBondContact O-CG 3.37Å; K128-K130 PolarHBondContact O-N 2.9Å
131	L	86.7	Confident	86.3	Confident	66 Å²	66	78.1 Å²	78.1	35%	0.346	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-106.5	113.6	-175.4	-80.8	159.9	0	0	0	109.4	L92 V126 Y127	L92-L131 HydrophobicContact CD2-CD1 3.87Å; V126-L131 WeakPolarHBondContact CA-O 3.42Å; V126-L131 WeakPolarHBondContact CG1-O 3.4Å; Y127-L131 HydrophobicContact CD1-CB 4.43Å; Y127-L131 HydrophobicContact CD1-CD1 3.86Å; Y127-L131 HydrophobicContact CE1-CD1 4.5Å; Y127-L131 PolarHBondContact N-O 2.9Å; Y127-L131 PolarHBondContact O-N 3.44Å
132	R	93.2	Very high	84.2	Confident	112 Å²	112	86.2 Å²	86.2	42%	0.423	43%	0.427	S	S	.	.			trans	-72.7	143.5	170.5	-65.8	179.4	70	-158.9	3.3	109.2	E109 E123 F134	E109-R132 HydrophobicContact CB-CB 4.42Å; E109-R132 VanDerWaalsContact CB-O 3.28Å; E109-R132 WeakPolarHBondContact CB-O 3.42Å; E109-R132 PolarHBondContact N-O 3.24Å; E109-R132 VanDerWaalsContact N-O 3.09Å; E123-R132 IonicContact OE1-CZ 3.45Å; E123-R132 IonicContact OE1-NE 2.63Å; E123-R132 IonicContact OE1-NH2 3.49Å; E123-R132 PolarHBondContact OE1-NH2 3.42Å; R132-F134 HydrophobicContact CB-CE2 4.28Å; R132-F134 HydrophobicContact CB-CZ 4.21Å
133	T	94.4	Very high	81.5	Confident	3 Å²	3	87.7 Å²	87.7	2%	0.018	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	163.9	178.3	66.2	0	0	0	0	108.5	M96 H106 I107 G124 P125	M96-T133 HydrophobicContact CE-CG2 3.67Å; M96-T133 HydrophobicContact SD-CG2 3.56Å; M96-T133 VanDerWaalsContact SD-CG2 3.56Å; H106-T133 WeakPolarHBondContact NE2-CB 3.47Å; H106-T133 PolarHBondContact NE2-OG1 3.18Å; I107-T133 WeakPolarHBondContact O-CA 3.06Å; I107-T133 WeakPolarHBondContact O-CB 3.16Å; G124-T133 VanDerWaalsContact C-OG1 3.23Å; G124-T133 WeakPolarHBondContact CA-O 3.32Å; G124-T133 WeakPolarHBondContact CA-OG1 3.26Å; G124-T133 PolarHBondContact N-O 2.71Å; P125-T133 PolarHBondContact O-OG1 3.11Å
134	F	95.3	Very high	78.9	Confident	23 Å²	23	91.5 Å²	91.5	10%	0.101	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	148.6	-174.9	-55.2	-85.9	0	0	0	110.7	H106 I107 E109 A112 L121 E122 E123 R132	H106-F134 PolarHBondContact CD2-O 2.86Å; I107-F134 HydrophobicContact CD1-CB 4.25Å; I107-F134 HydrophobicContact CG1-CB 3.83Å; I107-F134 VanDerWaalsContact CG1-O 3.31Å; I107-F134 WeakPolarHBondContact CG1-O 3.38Å; I107-F134 PolarHBondContact N-O 2.97Å; I107-F134 PolarHBondContact O-N 3.32Å; E109-F134 HydrophobicContact CB-CE2 4.06Å; E109-F134 HydrophobicContact CG-CE2 4.37Å; A112-F134 HydrophobicContact CB-CD2 3.85Å; A112-F134 HydrophobicContact CB-CE2 4.1Å; L121-F134 HydrophobicContact CB-CB 4.18Å; L121-F134 HydrophobicContact CB-CD1 4.18Å; L121-F134 HydrophobicContact CB-CG 4.37Å; L121-F134 HydrophobicContact CD1-CG 4.36Å; E122-F134 CarbonylContact O-C 3.54Å; E122-F134 WeakPolarHBondContact O-CA 3.46Å; E122-F134 WeakPolarHBondContact O-CB 3.47Å; E123-F134 HydrophobicContact CG-CE1 4.31Å; R132-F134 HydrophobicContact CB-CE2 4.28Å; R132-F134 HydrophobicContact CB-CZ 4.21Å
135	F	95.4	Very high	76.3	Confident	4 Å²	4	99.7 Å²	99.7	2%	0.018	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	142	164.5	-64.8	-75.8	0	0	0	109.7	Q101 R104 V105 H106 L121 E122 A137	Q101-F135 HydrophobicContact CB-CE1 4.14Å; Q101-F135 HydrophobicContact CB-CZ 4.41Å; Q101-F135 HydrophobicContact CG-CE1 4.04Å; Q101-F135 HydrophobicContact CG-CE2 4.48Å; Q101-F135 HydrophobicContact CG-CZ 3.79Å; R104-F135 HydrophobicContact CB-CD1 4.02Å; V105-F135 WeakPolarHBondContact O-CA 3.44Å; H106-F135 HydrophobicContact CB-CD1 3.91Å; H106-F135 HydrophobicContact CB-CE1 3.63Å; H106-F135 AromaticContact CD2-CD1 3.92Å; H106-F135 AromaticContact CD2-CE1 3.6Å; H106-F135 AromaticContact CD2-CZ 3.81Å; H106-F135 AromaticContact CG-CE1 3.58Å; L121-F135 WeakPolarHBondContact CA-O 3.45Å; E122-F135 HydrophobicContact CB-CB 4.33Å; E122-F135 PolarHBondContact N-O 3.46Å; E122-F135 PolarHBondContact O-N 2.82Å; F135-A137 PolarHBondContact O-N 2.84Å
136	I	93.7	Very high	73.8	Confident	7 Å²	7	100.6 Å²	100.6	4%	0.036	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	115.1	168.4	-55.2	-62.1	0	0	0	107.7	V39 L43 V105 I107 L115 Y119 L121	V39-I136 HydrophobicContact CG1-CD1 4.07Å; V39-I136 HydrophobicContact CG1-CG1 3.88Å; V39-I136 HydrophobicContact CG1-CG2 4.3Å; V39-I136 HydrophobicContact CG2-CD1 4.26Å; V39-I136 HydrophobicContact CG2-CG1 4.43Å; L43-I136 HydrophobicContact CD1-CG2 4.35Å; L43-I136 HydrophobicContact CD2-CG2 4.31Å; V105-I136 HydrophobicContact CB-CB 4.19Å; V105-I136 HydrophobicContact CB-CG1 3.91Å; V105-I136 HydrophobicContact CG1-CG1 3.99Å; V105-I136 PolarHBondContact O-N 3.19Å; I107-I136 HydrophobicContact CD1-CD1 3.77Å; I107-I136 HydrophobicContact CG1-CD1 4.42Å; I107-I136 HydrophobicContact CG2-CD1 4.19Å; I107-I136 HydrophobicContact CG2-CG1 4.16Å; L115-I136 HydrophobicContact CD1-CD1 3.82Å; Y119-I136 HydrophobicContact CD1-CG2 3.96Å; L121-I136 HydrophobicContact CD2-CD1 3.48Å; L121-I136 VanDerWaalsContact CD2-CD1 3.48Å
137	A	90.1	Very high	71.7	Confident	55 Å²	55	101.6 Å²	101.6	46%	0.455	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-48	-178.9	0	0	0	0	0	111.9	I120 E122 F135	I120-A137 HydrophobicContact CB-CB 4.44Å; I120-A137 HydrophobicContact CG2-CB 4.2Å; I120-A137 WeakPolarHBondContact O-CB 3.45Å; I120-A137 PolarHBondContact O-N 3.15Å; E122-A137 HydrophobicContact CB-CB 4.27Å; F135-A137 PolarHBondContact O-N 2.84Å
138	D	83.5	Confident	69.6	Low	104 Å²	104	105.4 Å²	105.4	56%	0.556	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.7	169	179.6	-157.7	-3.4	0	0	0	110.6	Y119 I120	Y119-D138 WeakPolarHBondContact CA-O 3.27Å; I120-D138 HydrophobicContact CB-CB 4.42Å; I120-D138 HydrophobicContact CD1-CB 4.22Å; I120-D138 PolarHBondContact N-O 3.3Å
139	K	80.9	Confident	67.4	Low	97 Å²	97	103.1 Å²	103.1	42%	0.422	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	130.9	166.6	-69.1	-177.1	-175.1	-173.3	0	109.4	E40 Y119 S141	E40-K139 WeakPolarHBondContact OE1-CE 3.28Å; E40-K139 IonicContact OE1-NZ 2.75Å; E40-K139 PolarHBondContact OE1-NZ 3.05Å; E40-K139 IonicContact OE2-NZ 2.67Å; E40-K139 PolarHBondContact OE2-NZ 2.98Å; Y119-K139 HydrophobicContact CD1-CG 3.89Å; Y119-K139 HydrophobicContact CE1-CD 4.36Å; Y119-K139 HydrophobicContact CE1-CG 3.72Å; K139-S141 PolarHBondContact O-N 3.34Å
140	E	74.7	Confident	65.1	Low	96 Å²	96	100 Å²	100	45%	0.449	53%	0.528	S	S	.	.			trans	-67.9	126.9	174.9	-151.1	176.6	179.7	0	0	108.1	E118 I120 R142	E118-E140 PolarHBondContact O-N 3.4Å; I120-E140 HydrophobicContact CG1-CB 4.28Å; I120-E140 HydrophobicContact CG1-CG 4.27Å; E140-R142 PolarHBondContact O-N 3.29Å
141	S	45.4	Very low	62.6	Low	119 Å²	119	96.7 Å²	96.7	83%	0.832	53%	0.525	S	S	*	.	S	Bend	trans	-58.4	95.5	-165.6	63.3	0	0	0	0	112.5	K139	K139-S141 PolarHBondContact O-N 3.34Å
142	R	50.9	Low	60.2	Low	228 Å²	228	95.8 Å²	95.8	86%	0.86	52%	0.523	S	S	*	.			trans	-152.8	114.6	169.8	-137.7	170.6	179.5	177.6	0.1	114.8	E140	E140-R142 PolarHBondContact O-N 3.29Å
143	T	38.5	Very low	57.5	Low	114 Å²	114	96.9 Å²	96.9	70%	0.699	54%	0.542	S	S	*	.			trans	43	106.5	141.6	-51.2	0	0	0	0	117.2	R145	T143-R145 PolarHBondContact O-N 3.04Å
144	K	37.3	Very low	54.6	Low	214 Å²	214	102.4 Å²	102.4	93%	0.93	57%	0.566	S	S	*	*			trans	-26.6	88.7	163.7	-62.7	-174.8	179.5	-175.4	0	113.3
145	R	38.7	Very low	51.7	Low	185 Å²	185	104.2 Å²	104.2	70%	0.698	59%	0.591	S	S	*	*			trans	-98.5	110.1	156.4	-80.2	-172.1	-68.9	170.7	4.3	105.5	E118 T143 V147	E118-R145 IonicContact OE1-CZ 3.85Å; E118-R145 IonicContact OE1-NH2 3.84Å; E118-R145 PolarHBondContact OE1-NH2 3.15Å; E118-R145 IonicContact OE2-NH2 2.84Å; T143-R145 PolarHBondContact O-N 3.04Å; R145-V147 PolarHBondContact O-N 2.63Å
146	G	37.5	Very low	48.7	Very low	81 Å²	81	107.6 Å²	107.6	84%	0.835	62%	0.62	S	S	*	*			trans	-69.4	71.2	-178.8	0	0	0	0	0	111.7	T148	G146-T148 PolarHBondContact O-N 2.96Å
147	V	43.9	Very low	45.8	Very low	101 Å²	101	111.2 Å²	111.2	61%	0.612	64%	0.638	S	S	*	*			trans	-84.7	93.1	160.8	-175.1	0	0	0	0	105.5	R145 P149	R145-V147 PolarHBondContact O-N 2.63Å; V147-P149 VanDerWaalsContact O-CD 3.24Å; V147-P149 WeakPolarHBondContact O-CD 3.31Å
148	T	35.7	Very low	42.7	Very low	124 Å²	124	113.7 Å²	113.7	76%	0.761	65%	0.649	S	S	*	*			trans	-63.9	114.9	163.3	47.5	0	0	0	0	106.5	G146 S150	G146-T148 PolarHBondContact O-N 2.96Å; T148-S150 PolarHBondContact O-N 2.73Å
149	P	37.5	Very low	40	Very low	100 Å²	100	112.6 Å²	112.6	65%	0.649	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-62.5	117.7	175.6	24.6	-29.9	0	0	0	107.3	V147	V147-P149 VanDerWaalsContact O-CD 3.24Å; V147-P149 WeakPolarHBondContact O-CD 3.31Å
150	S	30.7	Very low	37.6	Very low	86 Å²	86	113.6 Å²	113.6	60%	0.601	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-58.3	131	163.9	53.1	0	0	0	0	106.9	T148	T148-S150 PolarHBondContact O-N 2.73Å
151	P	30.2	Very low	35.3	Very low	111 Å²	111	116.8 Å²	116.8	72%	0.721	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-52.8	135.9	179.9	21.1	-31.8	0	0	0	108.8	V153	P151-V153 PolarHBondContact O-N 3.47Å
152	P	37	Very low	34.2	Very low	47 Å²	47	120.5 Å²	120.5	31%	0.305	67%	0.674	S	S	.	*	P	Polyproline II helix	trans	-56.5	140.1	176.2	-15.6	28.4	0	0	0	107.9	M41 F154	M41-P152 HydrophobicContact CG-CG 3.84Å; M41-P152 HydrophobicContact SD-CB 3.73Å; M41-P152 HydrophobicContact SD-CG 3.24Å; M41-P152 WeakPolarHBondContact SD-CG 3.48Å; P152-F154 HydrophobicContact CB-CD2 4.18Å; P152-F154 HydrophobicContact CB-CE2 4.19Å; P152-F154 HydrophobicContact CG-CD2 4.4Å; P152-F154 HydrophobicContact CG-CE2 3.94Å; P152-F154 WeakPolarHBondContact O-CD2 3.17Å; P152-F154 PolarHBondContact O-N 3.09Å
153	V	35.5	Very low	32.9	Very low	136 Å²	136	115.3 Å²	115.3	82%	0.824	66%	0.663	S	S	*	*			trans	-67.6	91.8	163.7	-178.9	0	0	0	0	105.5	P151 G155	P151-V153 PolarHBondContact O-N 3.47Å; V153-G155 VanDerWaalsContact C-N 3.32Å; V153-G155 PolarHBondContact O-N 3.18Å
154	F	34.6	Very low	32.3	Very low	118 Å²	118	115.1 Å²	115.1	52%	0.518	66%	0.661	S	S	.	*			trans	-63.8	95.9	174.6	-88.5	-90.1	0	0	0	107.6	M45 P152 A156	M45-F154 HydrophobicContact CE-CE1 4.17Å; M45-F154 HydrophobicContact CE-CZ 4.26Å; P152-F154 HydrophobicContact CB-CD2 4.18Å; P152-F154 HydrophobicContact CB-CE2 4.19Å; P152-F154 HydrophobicContact CG-CD2 4.4Å; P152-F154 HydrophobicContact CG-CE2 3.94Å; P152-F154 WeakPolarHBondContact O-CD2 3.17Å; P152-F154 PolarHBondContact O-N 3.09Å; F154-A156 PolarHBondContact O-N 3.41Å
155	G	33	Very low	31.8	Very low	61 Å²	61	110.3 Å²	110.3	63%	0.629	65%	0.646	S	S	*	*			trans	-68.2	82.5	154.5	0	0	0	0	0	107.4	V153 M157	V153-G155 VanDerWaalsContact C-N 3.32Å; V153-G155 PolarHBondContact O-N 3.18Å; G155-M157 PolarHBondContact O-N 2.84Å
156	A	33.8	Very low	31.4	Very low	76 Å²	76	105 Å²	105	63%	0.628	63%	0.631	S	S	*	*			trans	-60.9	98.4	158.2	0	0	0	0	0	105.6	F154 P158	F154-A156 PolarHBondContact O-N 3.41Å; A156-P158 WeakPolarHBondContact O-CD 3.48Å
157	M	32.6	Very low	30.7	Very low	82 Å²	82	111.2 Å²	111.2	40%	0.404	63%	0.629	S	S	.	*			trans	-55.5	123.4	155.9	-82.9	-133.6	152	0	0	104.8	Y22 K82 F83 G155 S159	Y22-M157 VanDerWaalsContact OH-CE 3.24Å; Y22-M157 WeakPolarHBondContact OH-CE 3.48Å; Y22-M157 PolarHBondContact OH-SD 3.24Å; K82-M157 HydrophobicContact CB-CE 4.35Å; F83-M157 WeakPolarHBondContact O-CE 3.47Å; G155-M157 PolarHBondContact O-N 2.84Å; M157-S159 PolarHBondContact O-N 2.69Å
158	P	25	Very low	29.9	Very low	107 Å²	107	114.7 Å²	114.7	70%	0.695	64%	0.638	S	S	*	*			trans	-56	123	172	-2.1	10	0	0	0	105	A156 V160	A156-P158 WeakPolarHBondContact O-CD 3.48Å; P158-V160 PolarHBondContact O-N 3.33Å; P158-V160 VanDerWaalsContact O-N 3.12Å
159	S	27.1	Very low	29.8	Very low	81 Å²	81	111.7 Å²	111.7	57%	0.566	62%	0.617	S	S	*	*			trans	-33.3	126.1	160.6	-56.5	0	0	0	0	106.1	M157 H161	M157-S159 PolarHBondContact O-N 2.69Å; S159-H161 PolarHBondContact O-N 2.97Å
160	V	30.7	Very low	29.3	Very low	118 Å²	118	112.3 Å²	112.3	72%	0.715	62%	0.615	S	S	*	*			trans	-45.2	93.8	-178.2	-176.5	0	0	0	0	107.6	P158 R162	P158-V160 PolarHBondContact O-N 3.33Å; P158-V160 VanDerWaalsContact O-N 3.12Å; V160-R162 PolarHBondContact O-N 3.2Å
161	H	25.2	Very low	29.4	Very low	163 Å²	163	113.3 Å²	113.3	76%	0.755	62%	0.622	S	S	*	*			trans	-63.3	115.4	169.2	-114	-53.4	0	0	0	101.5	S159 L163	S159-H161 PolarHBondContact O-N 2.97Å; H161-L163 PolarHBondContact O-N 2.99Å
162	R	22.9	Very low	29.5	Very low	197 Å²	197	112.6 Å²	112.6	74%	0.743	62%	0.619	S	S	*	*			trans	-34.5	114.9	171.5	-76.1	-175	-163.1	-162	3	107.1	V160 T164	V160-R162 PolarHBondContact O-N 3.2Å; R162-T164 PolarHBondContact O-N 2.89Å
163	L	24.4	Very low	29.2	Very low	120 Å²	120	116.3 Å²	116.3	63%	0.628	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	68.5	-171.2	-151.9	121.5	0	0	0	107.1	H161	H161-L163 PolarHBondContact O-N 2.99Å
164	T	26.2	Very low	29.1	Very low	109 Å²	109	113.1 Å²	113.1	67%	0.669	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	-15.7	175.9	44.9	0	0	0	0	114	R162	R162-T164 PolarHBondContact O-N 2.89Å
165	D	25.7	Very low	28.6	Very low	113 Å²	113	115.4 Å²	115.4	60%	0.604	63%	0.632	S	S	*	*			trans	-130.7	94.8	178.6	-70.9	-53.7	0	0	0	112.2
166	L	30.2	Very low	28.6	Very low	73 Å²	73	118.1 Å²	118.1	38%	0.382	63%	0.631	S	S	.	*			trans	-152.8	87.4	147.8	-93.5	-177	0	0	0	107.7	R80 I169	R80-L166 HydrophobicContact CG-CD1 3.64Å; R80-L166 VanDerWaalsContact NH2-CD1 3.34Å; L166-I169 HydrophobicContact CD1-CD1 3.7Å; L166-I169 HydrophobicContact CD1-CG1 4.42Å; L166-I169 HydrophobicContact CD2-CD1 4.35Å; L166-I169 HydrophobicContact CD2-CG1 4.34Å
167	R	23	Very low	28.2	Very low	213 Å²	213	119.1 Å²	119.1	80%	0.804	63%	0.633	S	S	*	*			trans	-89.8	5	171	-96.2	-179	-90.2	175.2	-4.6	113.7
168	H	27.9	Very low	27.9	Very low	174 Å²	174	117.8 Å²	117.8	81%	0.806	64%	0.635	S	S	*	*			trans	-146.1	90.8	-178.6	-70.1	-57.4	0	0	0	111.8
169	I	33.6	Very low	27.9	Very low	61 Å²	61	121.9 Å²	121.9	31%	0.313	64%	0.642	S	S	.	*			trans	-134	110.3	152	-62.8	-178.8	0	0	0	105.7	Q79 L166	Q79-I169 HydrophobicContact CG-CB 4.38Å; Q79-I169 WeakPolarHBondContact O-CD1 3.46Å; L166-I169 HydrophobicContact CD1-CD1 3.7Å; L166-I169 HydrophobicContact CD1-CG1 4.42Å; L166-I169 HydrophobicContact CD2-CD1 4.35Å; L166-I169 HydrophobicContact CD2-CG1 4.34Å
170	D	26.5	Very low	27.7	Very low	113 Å²	113	125.4 Å²	125.4	60%	0.604	65%	0.654	S	S	*	*			trans	-87.1	156.2	179.8	-160.3	-3.6	0	0	0	110.5	S172 D173	D170-S172 PolarHBondContact O-N 2.69Å; D170-D173 PolarHBondContact O-N 3.25Å
171	S	32	Very low	27.5	Very low	107 Å²	107	124.4 Å²	124.4	75%	0.748	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-8.4	-168.5	-43	0	0	0	0	114.1
172	S	32.4	Very low	27.5	Very low	95 Å²	95	122.1 Å²	122.1	66%	0.664	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-12.1	-178.6	52.2	0	0	0	0	115.1	D170 I174	D170-S172 PolarHBondContact O-N 2.69Å; S172-I174 VanDerWaalsContact C-N 3.3Å; S172-I174 PolarHBondContact O-N 3.11Å
173	D	30.5	Very low	27.7	Very low	125 Å²	125	122.3 Å²	122.3	67%	0.668	66%	0.657	S	S	*	*	S	Bend	trans	-88.4	7.1	-174.7	-64.6	-25.3	0	0	0	113.9	D170	D170-D173 PolarHBondContact O-N 3.25Å
174	I	33.9	Very low	27.7	Very low	70 Å²	70	125.4 Å²	125.4	36%	0.359	67%	0.665	S	S	.	*			trans	-106.4	94.8	-177.7	-55.4	172.5	0	0	0	109.6	F81 S172 I176	F81-I174 HydrophobicContact CE2-CD1 4.43Å; F81-I174 HydrophobicContact CE2-CG1 4.16Å; F81-I174 HydrophobicContact CZ-CD1 3.97Å; F81-I174 HydrophobicContact CZ-CG1 4.01Å; F81-I174 HydrophobicContact CZ-CG2 4.17Å; S172-I174 VanDerWaalsContact C-N 3.3Å; S172-I174 PolarHBondContact O-N 3.11Å; I174-I176 HydrophobicContact CG2-CD1 3.89Å; I174-I176 HydrophobicContact CG2-CG1 3.85Å
175	N	25	Very low	27.5	Very low	165 Å²	165	125.9 Å²	125.9	88%	0.882	67%	0.669	S	S	*	*			trans	-102.3	101.6	174.5	-148.6	-10.7	0	0	0	110.5
176	I	31.7	Very low	27.4	Very low	119 Å²	119	125.1 Å²	125.1	61%	0.61	67%	0.672	S	S	*	*			trans	-97	103.3	-179.9	-60.7	165.4	0	0	0	108.3	I174 A178	I174-I176 HydrophobicContact CG2-CD1 3.89Å; I174-I176 HydrophobicContact CG2-CG1 3.85Å; I176-A178 PolarHBondContact O-N 3.33Å
177	S	26.4	Very low	27	Very low	97 Å²	97	124.3 Å²	124.3	68%	0.678	67%	0.673	S	S	*	*			trans	-89.7	96.9	168.9	175.2	0	0	0	0	110.2
178	A	24.8	Very low	27	Very low	53 Å²	53	123 Å²	123	44%	0.438	67%	0.673	S	S	.	*			trans	-77.7	123	167.9	0	0	0	0	0	110.7	I176	I176-A178 PolarHBondContact O-N 3.33Å
179	K	25.9	Very low	26.8	Very low	194 Å²	194	118.1 Å²	118.1	84%	0.843	66%	0.663	S	S	*	*			trans	-110.8	108.2	162.1	-92.4	-174.2	176	178.9	0	110.2
180	D	23	Very low	26.3	Very low	155 Å²	155	124.1 Å²	124.1	83%	0.829	69%	0.69	S	S	*	*			trans	2.3	105.4	160.9	-105.7	-36.5	0	0	0	118.4
181	T	25.9	Very low	26.2	Very low	97 Å²	97	124.4 Å²	124.4	60%	0.595	70%	0.695	S	S	*	*			trans	-113.8	123.8	138.5	46.1	0	0	0	0	106.5	K183 K184	T181-K183 PolarHBondContact O-N 3.06Å; T181-K184 PolarHBondContact O-N 3.03Å
182	S	26.3	Very low	25.7	Very low	114 Å²	114	124.2 Å²	124.2	80%	0.797	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-40.7	105.6	179.8	56.2	0	0	0	0	111.3
183	K	26.6	Very low	25.2	Very low	202 Å²	202	129.1 Å²	129.1	88%	0.878	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.5	63.3	175	-58.5	-177.7	179.5	179.6	0	116.3	T181	T181-K183 PolarHBondContact O-N 3.06Å
184	K	24.2	Very low	25	Very low	184 Å²	184	128.1 Å²	128.1	80%	0.8	70%	0.702	S	S	*	*			trans	172.5	102.5	132.6	-99.8	173.8	-178.2	-179.4	0	107.5	T181 S186	T181-K184 PolarHBondContact O-N 3.03Å; K184-S186 PolarHBondContact O-N 2.96Å
185	T	22	Very low	24.4	Very low	120 Å²	120	132.3 Å²	132.3	74%	0.736	73%	0.725	S	S	*	*			trans	-62.1	116.9	-179.6	52.9	0	0	0	0	111.4
186	S	23.5	Very low	24.7	Very low	96 Å²	96	133 Å²	133	67%	0.671	72%	0.723	S	S	*	*			trans	-147.2	100	150	61.2	0	0	0	0	108.6	K184 F188	K184-S186 PolarHBondContact O-N 2.96Å; S186-F188 PolarHBondContact O-N 2.88Å
187	S	22.3	Very low	24.4	Very low	57 Å²	57	132.6 Å²	132.6	40%	0.399	73%	0.731	S	S	.	*	P	Polyproline II helix	trans	-60.3	122.3	174.7	38.7	0	0	0	0	111.6
188	F	23.4	Very low	24.3	Very low	184 Å²	184	132.1 Å²	132.1	81%	0.807	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-70.8	126.4	163.8	-82.9	-99.5	0	0	0	109.5	S186	S186-F188 PolarHBondContact O-N 2.88Å
189	A	23.3	Very low	24.3	Very low	73 Å²	73	137.2 Å²	137.2	60%	0.603	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-99.1	116.9	169	0	0	0	0	0	109.1	I75	I75-A189 HydrophobicContact CD1-CB 4.16Å
190	Q	22.2	Very low	24.6	Very low	187 Å²	187	139.4 Å²	139.4	87%	0.874	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-80.6	116.9	170.1	-150.3	-180	-37.8	0	0	107.3
191	V	24	Very low	24.6	Very low	119 Å²	119	138.6 Å²	138.6	72%	0.721	77%	0.767	S	S	*	*			trans	-90.4	107.5	170.5	-179.2	0	0	0	0	107.6	Y193	V191-Y193 HydrophobicContact CG1-CE2 4.32Å
192	S	21.5	Very low	24.6	Very low	102 Å²	102	140.8 Å²	140.8	71%	0.713	78%	0.776	S	S	*	*			trans	-102.4	124.7	171.6	-159.3	0	0	0	0	108.2	S194	S192-S194 PolarHBondContact O-N 2.87Å
193	Y	22.6	Very low	24.5	Very low	199 Å²	199	142.3 Å²	142.3	78%	0.78	78%	0.775	S	S	*	*			trans	-82.5	104.1	169.8	-77.7	-86.9	0	0	0	108.4	V191 N195	V191-Y193 HydrophobicContact CG1-CE2 4.32Å; Y193-N195 PolarHBondContact O-N 3.41Å
194	S	25.6	Very low	24.4	Very low	104 Å²	104	138.8 Å²	138.8	73%	0.727	77%	0.769	S	S	*	*			trans	-73.8	102	163.8	53.7	0	0	0	0	108.3	S192 H196	S192-S194 PolarHBondContact O-N 2.87Å; S194-H196 PolarHBondContact O-N 3.03Å
195	N	23	Very low	24.4	Very low	157 Å²	157	135.9 Å²	135.9	84%	0.84	77%	0.767	S	S	*	*			trans	-58.9	103.4	156.4	-86.6	-23.7	0	0	0	108.2	Y193	Y193-N195 PolarHBondContact O-N 3.41Å
196	H	31	Very low	24.5	Very low	180 Å²	180	137 Å²	137	83%	0.833	77%	0.769	S	S	*	*			trans	-124	103.7	153.9	-102.8	-45.2	0	0	0	110	S194	S194-H196 PolarHBondContact O-N 3.03Å
197	S	24	Very low	24.6	Very low	111 Å²	111	139.9 Å²	139.9	78%	0.776	78%	0.776	S	S	*	*			trans	-54.8	129.6	150.5	-41.8	0	0	0	0	110.1
198	A	24.6	Very low	24.8	Very low	87 Å²	87	146.3 Å²	146.3	72%	0.719	81%	0.805	S	S	*	*			trans	179.1	98	149.4	0	0	0	0	0	106.4
199	I	25.9	Very low	24.9	Very low	159 Å²	159	143.2 Å²	143.2	82%	0.815	81%	0.805	S	S	*	*				49.5	96.7	88.6	-49.6	176.5	0	0	0	112.5
200	L	31	Very low	25	Very low	240 Å²	240	149.5 Å²	149.5	100%	1.257	82%	0.823	S	S	*	*				-179.3	0	115.5	-93	173.8	0	0	0	109.7

Retrieved 200 of 200 residues in 95.6 ms (Link to these results)

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