A0A077ZL84_TRITR Loading...

Sigma non-opioid intracellular receptor 1

AlphaFold DB , UniProt , Accession A0A077ZL84, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 135 aa.

						>A0A077ZL84_TRITR|A0A077ZL84
MSEYVAIIGSPVKTVGNTARLWMNHSCTVLSGSLERSDGFQKDNFQPGKHARFAQLDSSIVELNEEKWLLCYGRGLTPMAMPYMTFCMLGQADIIPTIDLVTVGAKFCIDYFTVDSRERNIMLDAGVQSSVFRDK
					

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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	70.9	Confident	84.5	Confident	209 Å²	209	78.3 Å²	78.3	100%	1.03	44%	0.443	S	S	*	.				0	144.7	0	-73.1	-179.2	178.6	0	0	108.2
2	S	83.2	Confident	84.5	Confident	33 Å²	33	79.3 Å²	79.3	23%	0.231	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	155.8	-179	54.6	0	0	0	0	111.3	R74 G75 T77	S2-R74 WeakPolarHBondContact O-CA 3.45Å; S2-G75 PolarHBondContact N-O 3.08Å; S2-G75 PolarHBondContact O-N 3.39Å; S2-G75 PolarHBondContact OG-O 2.72Å; S2-T77 WeakPolarHBondContact CB-OG1 2.99Å; S2-T77 WeakPolarHBondContact OG-CB 3.11Å; S2-T77 PolarHBondContact OG-N 3.46Å; S2-T77 PolarHBondContact OG-OG1 3.32Å
3	E	87.4	Confident	84.6	Confident	112 Å²	112	81.2 Å²	81.2	52%	0.523	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.4	175.8	57.5	-163.2	-178.5	0	0	109.5	Y72 G73 R74	E3-Y72 HydrophobicContact CB-CE2 4.13Å; E3-Y72 PolarHBondContact OE2-OH 2.88Å; E3-G73 CarbonylContact C-O 3.51Å; E3-G73 VanDerWaalsContact CA-O 3.23Å; E3-G73 WeakPolarHBondContact CA-O 3.5Å; E3-R74 IonicContact OE2-CZ 3.67Å; E3-R74 IonicContact OE2-NE 3.64Å; E3-R74 IonicContact OE2-NH2 2.82Å; E3-R74 PolarHBondContact OE2-NH2 3.34Å
4	Y	85.1	Confident	84.5	Confident	47 Å²	47	77.9 Å²	77.9	18%	0.184	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153.2	176.7	78.2	-80.7	0	0	0	110.5	A6 M23 H25 Y72 G73	Y4-A6 HydrophobicContact CD2-CB 4.21Å; Y4-A6 HydrophobicContact CE2-CB 4.22Å; Y4-M23 HydrophobicContact CD1-CE 4.17Å; Y4-M23 HydrophobicContact CD1-SD 4.19Å; Y4-M23 HydrophobicContact CE1-CE 3.89Å; Y4-M23 HydrophobicContact CE1-SD 3.33Å; Y4-M23 WeakPolarHBondContact CE1-SD 3.18Å; Y4-H25 WeakPolarHBondContact OH-CB 3.33Å; Y4-Y72 WeakPolarHBondContact O-CA 3.26Å; Y4-Y72 VanDerWaalsContact O-CD2 3.31Å; Y4-Y72 WeakPolarHBondContact O-CD2 3.38Å; Y4-G73 WeakPolarHBondContact CD1-O 3.42Å; Y4-G73 PolarHBondContact N-O 3.5Å; Y4-G73 PolarHBondContact O-N 3.15Å
5	V	90.2	Very high	84.6	Confident	101 Å²	101	78.3 Å²	78.3	61%	0.612	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.8	170.2	178.8	0	0	0	0	106.9	L70 C71 Y72	V5-L70 HydrophobicContact CG1-CD1 3.62Å; V5-C71 CarbonylContact C-O 3.6Å; V5-C71 WeakPolarHBondContact CA-O 3.33Å; V5-Y72 HydrophobicContact CG2-CD2 3.8Å
6	A	86.2	Confident	84.5	Confident	32 Å²	32	75 Å²	75	26%	0.264	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140	176.9	0	0	0	0	0	109.8	Y4 C71	Y4-A6 HydrophobicContact CD2-CB 4.21Å; Y4-A6 HydrophobicContact CE2-CB 4.22Å; A6-C71 PolarHBondContact N-O 2.82Å; A6-C71 PolarHBondContact O-N 3.32Å
7	I	89.1	Confident	84.4	Confident	108 Å²	108	75.2 Å²	75.2	55%	0.554	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.6	169.8	-62.3	173.2	0	0	0	106.6	W68 L69 L70	I7-W68 HydrophobicContact CG2-CE3 3.65Å; I7-W68 HydrophobicContact CG2-CZ3 3.93Å; I7-L69 CarbonylContact C-O 3.54Å; I7-L69 WeakPolarHBondContact CA-O 3.44Å; I7-L70 HydrophobicContact CD1-CD1 4.48Å; I7-L70 HydrophobicContact CG1-CD1 3.74Å
8	I	86	Confident	84.2	Confident	70 Å²	70	72.1 Å²	72.1	36%	0.359	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.7	-177.4	-56.2	173.5	0	0	0	107.6	W68 L69	I8-W68 CarbonylContact O-C 3.56Å; I8-W68 WeakPolarHBondContact O-CA 3.38Å; I8-L69 HydrophobicContact CB-CB 4.42Å; I8-L69 PolarHBondContact N-O 3.25Å; I8-L69 PolarHBondContact O-N 3.48Å
9	G	85.7	Confident	83.8	Confident	38 Å²	38	68.7 Å²	68.7	39%	0.392	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131	175.8	0	0	0	0	0	110.1	K67	G9-K67 VanDerWaalsContact CA-O 3.28Å; G9-K67 WeakPolarHBondContact CA-O 2.99Å
10	S	82.5	Confident	83.6	Confident	13 Å²	13	73.4 Å²	73.4	9%	0.091	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.4	173.7	-171.9	0	0	0	0	109.9	V12 T14 E66 K67	S10-V12 PolarHBondContact OG-O 3.09Å; S10-T14 WeakPolarHBondContact CB-OG1 3.45Å; S10-T14 WeakPolarHBondContact OG-CG2 3.43Å; S10-T14 PolarHBondContact OG-OG1 3.39Å; S10-E66 WeakPolarHBondContact O-CA 3.48Å; S10-E66 PolarHBondContact O-N 3.34Å; S10-K67 PolarHBondContact N-O 3.13Å; S10-K67 PolarHBondContact O-N 2.64Å; S10-K67 VanDerWaalsContact O-N 3.15Å
11	P	83.2	Confident	83.6	Confident	98 Å²	98	70.4 Å²	70.4	64%	0.636	39%	0.387	S	S	*	.	S	Bend	trans	-74	-34.8	175.5	28.3	-32.1	0	0	0	111.5	E65 E66	P11-E65 WeakPolarHBondContact O-CA 3.37Å; P11-E66 PolarHBondContact O-N 3.36Å; P11-E66 VanDerWaalsContact O-N 3.09Å
12	V	85	Confident	84.2	Confident	90 Å²	90	66.1 Å²	66.1	55%	0.545	36%	0.359	S	S	.	.	S	Bend	trans	-102.1	162	180	-64.4	0	0	0	0	111.1	S10 T14	S10-V12 PolarHBondContact OG-O 3.09Å; V12-T14 HydrophobicContact CG2-CG2 4.21Å; V12-T14 PolarHBondContact O-N 3.18Å
13	K	85.5	Confident	84.3	Confident	104 Å²	104	64.6 Å²	64.6	45%	0.452	35%	0.349	S	S	.	.			trans	-58.8	120.9	170.3	-173.7	179.9	-178.1	-178	0	109.4	E62 L63 E65	K13-E62 VanDerWaalsContact CE-OE2 3.28Å; K13-E62 WeakPolarHBondContact CE-OE2 3.18Å; K13-E62 IonicContact NZ-OE2 3.5Å; K13-E62 PolarHBondContact NZ-OE2 3.43Å; K13-L63 CarbonylContact C-O 3.56Å; K13-L63 VanDerWaalsContact CA-O 3.29Å; K13-L63 WeakPolarHBondContact CA-O 3.46Å; K13-L63 WeakPolarHBondContact CG-O 3.1Å; K13-E65 HydrophobicContact CB-CG 4.41Å
14	T	83.4	Confident	84.3	Confident	36 Å²	36	63.2 Å²	63.2	22%	0.221	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.8	177.5	44	0	0	0	0	110.5	S10 V12 L63	S10-T14 WeakPolarHBondContact CB-OG1 3.45Å; S10-T14 WeakPolarHBondContact OG-CG2 3.43Å; S10-T14 PolarHBondContact OG-OG1 3.39Å; V12-T14 HydrophobicContact CG2-CG2 4.21Å; V12-T14 PolarHBondContact O-N 3.18Å; T14-L63 PolarHBondContact N-O 3.34Å; T14-L63 PolarHBondContact O-N 3.04Å
15	V	85.8	Confident	84.5	Confident	84 Å²	84	61.8 Å²	61.8	51%	0.509	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.3	175.4	-177.7	0	0	0	0	107.3	I60 E62	V15-I60 HydrophobicContact CG1-CG2 3.9Å; V15-E62 HydrophobicContact CB-CG 4.44Å; V15-E62 HydrophobicContact CG1-CG 4.02Å; V15-E62 HydrophobicContact CG2-CB 4.32Å; V15-E62 HydrophobicContact CG2-CG 3.85Å
16	G	82.1	Confident	84.5	Confident	25 Å²	25	58 Å²	58	26%	0.258	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	168.3	-179	0	0	0	0	0	111.5	V61	G16-V61 PolarHBondContact N-O 3.16Å; G16-V61 PolarHBondContact O-N 2.86Å
17	N	84.3	Confident	84.8	Confident	79 Å²	79	57 Å²	57	42%	0.422	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.1	172.4	-172.3	-39	0	0	0	108.5	A19 S59	N17-A19 PolarHBondContact O-N 3.44Å; N17-S59 WeakPolarHBondContact CA-O 3.11Å; N17-S59 PolarHBondContact OD1-O 3.15Å
18	T	79.8	Confident	84.9	Confident	19 Å²	19	53 Å²	53	12%	0.117	29%	0.29	C	S	.	.			trans	-70.8	87.9	165.2	63.4	0	0	0	0	107.5	F53 S58 S59 V61	T18-F53 HydrophobicContact CG2-CD1 3.87Å; T18-F53 HydrophobicContact CG2-CD2 4.38Å; T18-F53 HydrophobicContact CG2-CE1 3.68Å; T18-F53 HydrophobicContact CG2-CE2 4.21Å; T18-F53 HydrophobicContact CG2-CG 4.22Å; T18-F53 HydrophobicContact CG2-CZ 3.85Å; T18-S58 VanDerWaalsContact O-CA 3.22Å; T18-S58 WeakPolarHBondContact O-CA 3.3Å; T18-S59 PolarHBondContact N-O 2.83Å; T18-S59 PolarHBondContact OG1-N 3.07Å; T18-S59 PolarHBondContact OG1-O 3.4Å; T18-S59 PolarHBondContact OG1-OG 2.86Å; T18-V61 HydrophobicContact CG2-CG2 3.58Å
19	A	77.3	Confident	85.2	Confident	7 Å²	7	49.8 Å²	49.8	6%	0.058	27%	0.273	C	S	.	.			trans	-22.4	142.7	162.7	0	0	0	0	0	115.6	N17 L21 Y83	N17-A19 PolarHBondContact O-N 3.44Å; A19-L21 VanDerWaalsContact C-N 3.28Å; A19-L21 HydrophobicContact CB-CD1 4.16Å; A19-L21 HydrophobicContact CB-CD2 3.52Å; A19-L21 HydrophobicContact CB-CG 3.58Å; A19-L21 PolarHBondContact O-N 3.01Å; A19-Y83 HydrophobicContact CB-CD1 3.13Å; A19-Y83 HydrophobicContact CB-CE1 2.92Å; A19-Y83 HydrophobicContact CB-CE2 4.35Å; A19-Y83 HydrophobicContact CB-CG 4Å
20	R	80.1	Confident	85.4	Confident	162 Å²	162	52.4 Å²	52.4	61%	0.611	28%	0.278	S	S	*	.			trans	-73.9	83.8	166.4	-64.9	-171.2	-174.2	165.2	-0	110.1	L56	R20-L56 HydrophobicContact CB-CD2 4.25Å; R20-L56 WeakPolarHBondContact CG-O 3.31Å
21	L	83.2	Confident	85.7	Confident	11 Å²	11	54.5 Å²	54.5	6%	0.058	29%	0.292	C	S	.	.			trans	-91.8	148.5	179.5	-53.9	175.3	0	0	0	110.8	A19 M23 L56 A80 Y83 M84	A19-L21 VanDerWaalsContact C-N 3.28Å; A19-L21 HydrophobicContact CB-CD1 4.16Å; A19-L21 HydrophobicContact CB-CD2 3.52Å; A19-L21 HydrophobicContact CB-CG 3.58Å; A19-L21 PolarHBondContact O-N 3.01Å; L21-M23 HydrophobicContact CB-CG 3.44Å; L21-M23 VanDerWaalsContact CB-CG 3.44Å; L21-M23 HydrophobicContact CB-SD 4.29Å; L21-M23 HydrophobicContact CD1-CG 4Å; L21-M23 HydrophobicContact CD1-SD 3.74Å; L21-M23 HydrophobicContact CG-CG 4.35Å; L21-M23 PolarHBondContact O-N 2.8Å; L21-L56 PolarHBondContact O-N 3.31Å; L21-A80 HydrophobicContact CB-CB 4.12Å; L21-A80 HydrophobicContact CD1-CB 4.3Å; L21-A80 HydrophobicContact CD2-CB 3.8Å; L21-A80 HydrophobicContact CG-CB 4.28Å; L21-Y83 HydrophobicContact CD2-CD1 4.05Å; L21-Y83 HydrophobicContact CD2-CG 3.99Å; L21-M84 HydrophobicContact CD1-CG 4.39Å
22	W	83.4	Confident	85.8	Confident	119 Å²	119	50.9 Å²	50.9	45%	0.451	27%	0.272	S	S	.	.	S	Bend	trans	-75.7	43.1	167.4	-72.7	-78	0	0	0	112.2	L56 L76 M79	W22-L56 HydrophobicContact CG-CD2 4.46Å; W22-L76 HydrophobicContact CB-CB 4.33Å; W22-L76 HydrophobicContact CB-CD1 4.44Å; W22-L76 PolarHBondContact O-N 2.86Å; W22-M79 HydrophobicContact CE3-CB 4.12Å; W22-M79 HydrophobicContact CE3-CE 4.37Å; W22-M79 HydrophobicContact CZ3-CE 3.96Å
23	M	84.6	Confident	85.8	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	145.9	176.7	53	165.8	67.7	0	0	110	Y4 L21 R74 T77 A80	Y4-M23 HydrophobicContact CD1-CE 4.17Å; Y4-M23 HydrophobicContact CD1-SD 4.19Å; Y4-M23 HydrophobicContact CE1-CE 3.89Å; Y4-M23 HydrophobicContact CE1-SD 3.33Å; Y4-M23 WeakPolarHBondContact CE1-SD 3.18Å; L21-M23 HydrophobicContact CB-CG 3.44Å; L21-M23 VanDerWaalsContact CB-CG 3.44Å; L21-M23 HydrophobicContact CB-SD 4.29Å; L21-M23 HydrophobicContact CD1-CG 4Å; L21-M23 HydrophobicContact CD1-SD 3.74Å; L21-M23 HydrophobicContact CG-CG 4.35Å; L21-M23 PolarHBondContact O-N 2.8Å; M23-R74 WeakPolarHBondContact CA-O 3.16Å; M23-R74 WeakPolarHBondContact CB-O 3.39Å; M23-T77 HydrophobicContact CE-CG2 4Å; M23-A80 HydrophobicContact CE-CB 3.26Å; M23-A80 HydrophobicContact CG-CB 4.32Å; M23-A80 HydrophobicContact SD-CB 4.15Å
24	N	88.8	Confident	85.9	Confident	83 Å²	83	42.9 Å²	42.9	44%	0.444	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	132.7	166.3	-63.4	-65.6	0	0	0	107.5	Q55 G73 R74	N24-Q55 WeakPolarHBondContact OD1-CB 3.22Å; N24-Q55 PolarHBondContact OD1-N 2.65Å; N24-G73 CarbonylContact O-C 3.48Å; N24-G73 WeakPolarHBondContact O-CA 3.22Å; N24-R74 PolarHBondContact N-O 2.75Å; N24-R74 PolarHBondContact O-N 2.82Å
25	H	88.9	Confident	86.1	Confident	18 Å²	18	42.8 Å²	42.8	8%	0.083	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	151.9	176.9	61	-75.6	0	0	0	111	Y4 F53 Y72	Y4-H25 WeakPolarHBondContact OH-CB 3.33Å; H25-F53 AromaticContact CD2-CD2 3.4Å; H25-F53 VanDerWaalsContact CD2-CD2 3.4Å; H25-F53 WeakPolarHBondContact CD2-CD2 3.45Å; H25-F53 AromaticContact CD2-CG 3.96Å; H25-F53 WeakPolarHBondContact CE1-CB 3.5Å; H25-F53 AromaticContact CE1-CG 3.97Å; H25-F53 PolarHBondContact N-O 2.06Å; H25-F53 VanDerWaalsContact N-O 3.09Å; H25-F53 WeakPolarHBondContact NE2-CB 3.36Å; H25-F53 AromaticContact NE2-CD2 3.37Å; H25-F53 WeakPolarHBondContact NE2-CD2 3.36Å; H25-F53 AromaticContact NE2-CG 3.51Å; H25-F53 PolarHBondContact O-N 2.86Å; H25-F53 VanDerWaalsContact O-O 3.1Å; H25-Y72 CarbonylContact C-O 3.53Å; H25-Y72 VanDerWaalsContact CA-O 3.31Å; H25-Y72 WeakPolarHBondContact CA-O 3.44Å
26	S	90.7	Very high	86.2	Confident	22 Å²	22	40.2 Å²	40.2	15%	0.154	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.1	178.7	-174.7	0	0	0	0	108.8	A51 R52 C71 Y72	S26-A51 CarbonylContact C-O 3.44Å; S26-A51 WeakPolarHBondContact CA-O 3.32Å; S26-A51 WeakPolarHBondContact CB-O 3.49Å; S26-A51 PolarHBondContact OG-O 2.81Å; S26-R52 WeakPolarHBondContact OG-CG 3.34Å; S26-C71 CarbonylContact O-C 3.49Å; S26-C71 VanDerWaalsContact O-CA 3.31Å; S26-C71 WeakPolarHBondContact O-CA 3.13Å; S26-Y72 PolarHBondContact N-O 2.9Å; S26-Y72 PolarHBondContact O-N 2.88Å
27	C	91	Very high	86.4	Confident	10 Å²	10	40.1 Å²	40.1	7%	0.068	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.2	177.9	-64.4	0	0	0	0	109.9	A51 F53 L70 C71	C27-A51 PolarHBondContact N-O 2.76Å; C27-A51 PolarHBondContact O-N 2.85Å; C27-F53 HydrophobicContact CB-CE2 4.26Å; C27-L70 CarbonylContact C-O 3.52Å; C27-L70 WeakPolarHBondContact CA-O 3.42Å; C27-C71 HydrophobicContact CB-CB 4.23Å; C27-C71 WeakPolarHBondContact CB-SG 3.4Å; C27-C71 WeakPolarHBondContact SG-CB 3.35Å; C27-C71 CovalentContact SG-SG 2.06Å; C27-C71 PolarHBondContact SG-SG 3.09Å
28	T	92.6	Very high	86.2	Confident	25 Å²	25	39.4 Å²	39.4	15%	0.153	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.7	178.3	-49.5	0	0	0	0	108.8	L30 H50 L69 L70	T28-L30 PolarHBondContact O-N 2.86Å; T28-H50 WeakPolarHBondContact CB-ND1 3.33Å; T28-H50 WeakPolarHBondContact CG2-CE1 3.34Å; T28-H50 WeakPolarHBondContact CG2-ND1 2.88Å; T28-H50 PolarHBondContact OG1-CE1 2.74Å; T28-H50 PolarHBondContact OG1-ND1 2.8Å; T28-L69 CarbonylContact O-C 3.56Å; T28-L69 WeakPolarHBondContact O-CA 3.34Å; T28-L70 PolarHBondContact N-O 3.04Å; T28-L70 PolarHBondContact O-N 3.43Å
29	V	91.4	Very high	85.7	Confident	1 Å²	1	42 Å²	42	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	112.6	175.6	-170	0	0	0	0	108.9	G32 L34 F45 P47 G48 K49 L69	V29-G32 VanDerWaalsContact CG1-O 3.26Å; V29-G32 WeakPolarHBondContact CG1-O 3.28Å; V29-L34 HydrophobicContact CG2-CB 3.5Å; V29-L34 HydrophobicContact CG2-CD2 4.25Å; V29-F45 HydrophobicContact CG2-CB 4.05Å; V29-P47 WeakPolarHBondContact O-CA 3.48Å; V29-G48 PolarHBondContact O-N 2.79Å; V29-K49 PolarHBondContact N-O 2.82Å; V29-K49 VanDerWaalsContact N-O 3.16Å; V29-L69 HydrophobicContact CB-CD2 4.14Å; V29-L69 HydrophobicContact CG1-CD2 4.2Å; V29-L69 HydrophobicContact CG2-CD2 3.8Å
30	L	90.2	Very high	85.5	Confident	94 Å²	94	51.6 Å²	51.6	49%	0.492	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-43.2	176.2	-64.9	174.8	0	0	0	110.7	T28 W68 L70	T28-L30 PolarHBondContact O-N 2.86Å; L30-W68 HydrophobicContact CB-CB 4.07Å; L30-W68 WeakPolarHBondContact CB-O 3.37Å; L30-W68 HydrophobicContact CD1-CB 4.38Å; L30-W68 PolarHBondContact N-O 3.01Å; L30-L70 HydrophobicContact CD1-CB 4.05Å; L30-L70 HydrophobicContact CD2-CB 4.29Å; L30-L70 HydrophobicContact CG-CB 4.09Å
31	S	88.3	Confident	85.6	Confident	57 Å²	57	50 Å²	50	40%	0.399	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	134.2	178.6	-172.5	0	0	0	0	111.7	K67 W68	S31-K67 WeakPolarHBondContact O-CD 3.37Å; S31-W68 PolarHBondContact N-O 2.89Å; S31-W68 PolarHBondContact O-N 3.37Å
32	G	85.6	Confident	85.7	Confident	21 Å²	21	55.3 Å²	55.3	22%	0.216	30%	0.298	C	S	.	.	S	Bend	trans	71.7	-137.4	-179.4	0	0	0	0	0	116.1	V29 P47	V29-G32 VanDerWaalsContact CG1-O 3.26Å; V29-G32 WeakPolarHBondContact CG1-O 3.28Å; G32-P47 WeakPolarHBondContact O-CD 3.38Å; G32-P47 WeakPolarHBondContact O-CG 3.36Å
33	S	84.8	Confident	85.9	Confident	26 Å²	26	52.1 Å²	52.1	18%	0.182	29%	0.289	C	S	.	.			trans	-129.6	148.4	-172	65	0	0	0	0	113.6	N44 F45 N64	S33-N44 WeakPolarHBondContact CB-OD1 3.35Å; S33-F45 VanDerWaalsContact CA-O 3.32Å; S33-F45 WeakPolarHBondContact CA-O 3.41Å; S33-N64 PolarHBondContact OG-ND2 2.81Å
34	L	87.2	Confident	86.1	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.2	174.4	-177.1	73.1	0	0	0	108.7	V29 F45 A51 V61 L63 L69	V29-L34 HydrophobicContact CG2-CB 3.5Å; V29-L34 HydrophobicContact CG2-CD2 4.25Å; L34-F45 HydrophobicContact CB-CB 4.21Å; L34-F45 HydrophobicContact CD2-CD2 4.42Å; L34-F45 PolarHBondContact N-O 3.06Å; L34-F45 PolarHBondContact O-N 2.71Å; L34-A51 HydrophobicContact CD2-CB 4.02Å; L34-V61 HydrophobicContact CD1-CG1 3.15Å; L34-V61 HydrophobicContact CD2-CG1 4.28Å; L34-V61 HydrophobicContact CG-CG1 3.82Å; L34-L63 HydrophobicContact CD1-CD1 3.94Å; L34-L63 HydrophobicContact CD1-CG 3.81Å; L34-L69 HydrophobicContact CB-CD2 4.39Å; L34-L69 HydrophobicContact CD1-CD1 3.75Å; L34-L69 HydrophobicContact CD1-CD2 4.17Å; L34-L69 HydrophobicContact CD2-CD2 4.37Å
35	E	89	Confident	86.1	Confident	33 Å²	33	54.3 Å²	54.3	15%	0.154	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122	175.9	-63.9	-179.4	175.7	0	0	109.3	K42 D43 N44 V61 E62	E35-K42 WeakPolarHBondContact OE2-CE 3.08Å; E35-K42 IonicContact OE2-NZ 3.08Å; E35-K42 PolarHBondContact OE2-NZ 2.64Å; E35-D43 CarbonylContact C-O 3.57Å; E35-D43 WeakPolarHBondContact CA-O 3.45Å; E35-N44 HydrophobicContact CG-CB 4.47Å; E35-V61 CarbonylContact O-C 3.57Å; E35-V61 WeakPolarHBondContact O-CA 3.39Å; E35-E62 HydrophobicContact CB-CB 4.27Å; E35-E62 PolarHBondContact N-O 2.95Å; E35-E62 PolarHBondContact O-N 3Å
36	R	87.4	Confident	86.1	Confident	30 Å²	30	60 Å²	60	11%	0.113	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.8	178.2	-175.1	-175.7	76.9	98.5	9.7	109	D38 K42 D43 F45 F53 I60 V61	R36-D38 IonicContact CZ-OD1 2.82Å; R36-D38 IonicContact CZ-OD2 2.65Å; R36-D38 IonicContact NH1-OD1 3.62Å; R36-D38 PolarHBondContact NH1-OD1 2.74Å; R36-D38 IonicContact NH1-OD2 2.71Å; R36-D38 PolarHBondContact NH1-OD2 2.84Å; R36-D38 IonicContact NH2-OD2 3.56Å; R36-D38 PolarHBondContact NH2-OD2 2.88Å; R36-K42 CarbonylContact O-C 3.56Å; R36-K42 WeakPolarHBondContact O-CA 3.4Å; R36-D43 IonicContact CZ-OD2 2.9Å; R36-D43 PolarHBondContact N-O 3.17Å; R36-D43 IonicContact NE-OD2 2.86Å; R36-D43 IonicContact NH2-OD2 2.64Å; R36-D43 PolarHBondContact NH2-OD2 2.82Å; R36-D43 PolarHBondContact O-N 2.8Å; R36-F45 HydrophobicContact CB-CD2 4.34Å; R36-F45 HydrophobicContact CB-CE2 3.72Å; R36-F53 HydrophobicContact CG-CE1 4.01Å; R36-I60 CarbonylContact C-O 3.55Å; R36-I60 WeakPolarHBondContact CA-O 3.41Å; R36-V61 HydrophobicContact CG-CG2 4.35Å
37	S	86	Confident	85.9	Confident	24 Å²	24	62.4 Å²	62.4	17%	0.168	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	114.8	179.4	-57.5	0	0	0	0	110.3	G39 Q41 I60	S37-G39 VanDerWaalsContact C-N 3.26Å; S37-G39 PolarHBondContact O-N 2.82Å; S37-Q41 WeakPolarHBondContact CA-O 3.29Å; S37-I60 PolarHBondContact N-O 2.82Å; S37-I60 PolarHBondContact O-N 2.64Å
38	D	79.1	Confident	85.7	Confident	63 Å²	63	64.4 Å²	64.4	34%	0.337	36%	0.363	S	S	.	.			trans	-93.3	26.8	175.7	-67.5	-13.5	0	0	0	111.8	R36 F40 Q41 S59	R36-D38 IonicContact CZ-OD1 2.82Å; R36-D38 IonicContact CZ-OD2 2.65Å; R36-D38 IonicContact NH1-OD1 3.62Å; R36-D38 PolarHBondContact NH1-OD1 2.74Å; R36-D38 IonicContact NH1-OD2 2.71Å; R36-D38 PolarHBondContact NH1-OD2 2.84Å; R36-D38 IonicContact NH2-OD2 3.56Å; R36-D38 PolarHBondContact NH2-OD2 2.88Å; D38-F40 PolarHBondContact O-N 2.98Å; D38-Q41 PolarHBondContact N-O 2.82Å; D38-S59 WeakPolarHBondContact OD1-CB 3.14Å
39	G	70.6	Confident	85.6	Confident	75 Å²	75	69.4 Å²	69.4	77%	0.773	38%	0.383	S	S	*	.	S	Bend	trans	81.3	-45.4	-174.3	0	0	0	0	0	114.1	S37	S37-G39 VanDerWaalsContact C-N 3.26Å; S37-G39 PolarHBondContact O-N 2.82Å
40	F	73.2	Confident	85.5	Confident	208 Å²	208	74.7 Å²	74.7	91%	0.912	41%	0.408	S	S	*	.	S	Bend	trans	-103.2	-31.1	179.2	-69.6	-79.4	0	0	0	114.3	D38	D38-F40 PolarHBondContact O-N 2.98Å
41	Q	80.9	Confident	85.4	Confident	129 Å²	129	70.3 Å²	70.3	60%	0.603	38%	0.384	S	S	*	.			trans	-119.3	136.2	-178.4	-68.3	-175.3	24.5	0	0	110	S37 D38	S37-Q41 WeakPolarHBondContact CA-O 3.29Å; D38-Q41 PolarHBondContact N-O 2.82Å
42	K	85.9	Confident	85.4	Confident	122 Å²	122	77.3 Å²	77.3	53%	0.53	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	106.6	174.1	-175.1	171.6	-179.6	173	0	108.2	E35 R36	E35-K42 WeakPolarHBondContact OE2-CE 3.08Å; E35-K42 IonicContact OE2-NZ 3.08Å; E35-K42 PolarHBondContact OE2-NZ 2.64Å; R36-K42 CarbonylContact O-C 3.56Å; R36-K42 WeakPolarHBondContact O-CA 3.4Å
43	D	87.7	Confident	85.5	Confident	51 Å²	51	76.5 Å²	76.5	27%	0.273	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.6	177.8	-66.4	-35.3	0	0	0	109.9	E35 R36 F45	E35-D43 CarbonylContact C-O 3.57Å; E35-D43 WeakPolarHBondContact CA-O 3.45Å; R36-D43 IonicContact CZ-OD2 2.9Å; R36-D43 PolarHBondContact N-O 3.17Å; R36-D43 IonicContact NE-OD2 2.86Å; R36-D43 IonicContact NH2-OD2 2.64Å; R36-D43 PolarHBondContact NH2-OD2 2.82Å; R36-D43 PolarHBondContact O-N 2.8Å; D43-F45 HydrophobicContact CB-CE2 3.84Å; D43-F45 HydrophobicContact CB-CZ 4.03Å
44	N	88.4	Confident	85.6	Confident	95 Å²	95	77.8 Å²	77.8	51%	0.508	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.2	174.2	-168.6	-1.3	0	0	0	109.9	S33 E35	S33-N44 WeakPolarHBondContact CB-OD1 3.35Å; E35-N44 HydrophobicContact CG-CB 4.47Å
45	F	88.9	Confident	85.5	Confident	36 Å²	36	82.2 Å²	82.2	16%	0.158	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	117.4	178.1	-61.3	-83.1	0	0	0	110	V29 S33 L34 R36 D43 K49 A51	V29-F45 HydrophobicContact CG2-CB 4.05Å; S33-F45 VanDerWaalsContact CA-O 3.32Å; S33-F45 WeakPolarHBondContact CA-O 3.41Å; L34-F45 HydrophobicContact CB-CB 4.21Å; L34-F45 HydrophobicContact CD2-CD2 4.42Å; L34-F45 PolarHBondContact N-O 3.06Å; L34-F45 PolarHBondContact O-N 2.71Å; R36-F45 HydrophobicContact CB-CD2 4.34Å; R36-F45 HydrophobicContact CB-CE2 3.72Å; D43-F45 HydrophobicContact CB-CE2 3.84Å; D43-F45 HydrophobicContact CB-CZ 4.03Å; F45-K49 HydrophobicContact CB-CB 4.15Å; F45-K49 HydrophobicContact CD1-CB 4.01Å; F45-A51 HydrophobicContact CD2-CB 4.08Å; F45-A51 HydrophobicContact CE1-CB 4.31Å; F45-A51 HydrophobicContact CE2-CB 3.83Å; F45-A51 HydrophobicContact CG-CB 4.42Å; F45-A51 HydrophobicContact CZ-CB 3.96Å
46	Q	88.5	Confident	85.2	Confident	136 Å²	136	84.8 Å²	84.8	64%	0.636	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-76.4	165.9	171.9	-71	-164.5	45	0	0	111.7	G48 K49	Q46-G48 PolarHBondContact O-N 2.75Å; Q46-K49 WeakPolarHBondContact O-CB 3.28Å; Q46-K49 PolarHBondContact O-N 2.99Å
47	P	88	Confident	85.1	Confident	73 Å²	73	86 Å²	86	47%	0.474	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	139.1	176.2	-18.8	29	0	0	0	111.4	V29 G32 K49	V29-P47 WeakPolarHBondContact O-CA 3.48Å; G32-P47 WeakPolarHBondContact O-CD 3.38Å; G32-P47 WeakPolarHBondContact O-CG 3.36Å; P47-K49 VanDerWaalsContact C-N 3.28Å; P47-K49 PolarHBondContact O-N 2.9Å
48	G	87.1	Confident	84.9	Confident	52 Å²	52	86.9 Å²	86.9	54%	0.536	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-2.3	-176.7	0	0	0	0	0	114.8	V29 Q46	V29-G48 PolarHBondContact O-N 2.79Å; Q46-G48 PolarHBondContact O-N 2.75Å
49	K	89.9	Confident	85.2	Confident	130 Å²	130	84 Å²	84	57%	0.565	44%	0.44	S	S	*	.			trans	-88.7	151.8	168.5	-61	-63.1	-174.7	-179.3	0	111	V29 F45 Q46 P47	V29-K49 PolarHBondContact N-O 2.82Å; V29-K49 VanDerWaalsContact N-O 3.16Å; F45-K49 HydrophobicContact CB-CB 4.15Å; F45-K49 HydrophobicContact CD1-CB 4.01Å; Q46-K49 WeakPolarHBondContact O-CB 3.28Å; Q46-K49 PolarHBondContact O-N 2.99Å; P47-K49 VanDerWaalsContact C-N 3.28Å; P47-K49 PolarHBondContact O-N 2.9Å
50	H	88.5	Confident	86	Confident	113 Å²	113	84.1 Å²	84.1	52%	0.523	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.6	179.9	-51.8	-76.5	0	0	0	109.4	T28	T28-H50 WeakPolarHBondContact CB-ND1 3.33Å; T28-H50 WeakPolarHBondContact CG2-CE1 3.34Å; T28-H50 WeakPolarHBondContact CG2-ND1 2.88Å; T28-H50 PolarHBondContact OG1-CE1 2.74Å; T28-H50 PolarHBondContact OG1-ND1 2.8Å
51	A	88.5	Confident	86.7	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.008	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	136.2	164.8	0	0	0	0	0	108.5	S26 C27 L34 F45 F53	S26-A51 CarbonylContact C-O 3.44Å; S26-A51 WeakPolarHBondContact CA-O 3.32Å; S26-A51 WeakPolarHBondContact CB-O 3.49Å; S26-A51 PolarHBondContact OG-O 2.81Å; C27-A51 PolarHBondContact N-O 2.76Å; C27-A51 PolarHBondContact O-N 2.85Å; L34-A51 HydrophobicContact CD2-CB 4.02Å; F45-A51 HydrophobicContact CD2-CB 4.08Å; F45-A51 HydrophobicContact CE1-CB 4.31Å; F45-A51 HydrophobicContact CE2-CB 3.83Å; F45-A51 HydrophobicContact CG-CB 4.42Å; F45-A51 HydrophobicContact CZ-CB 3.96Å; A51-F53 HydrophobicContact CB-CE2 3.96Å; A51-F53 HydrophobicContact CB-CZ 3.88Å
52	R	88.7	Confident	87	Confident	204 Å²	204	70.5 Å²	70.5	77%	0.77	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.7	174.9	-73.2	-171.4	175.1	179	1.1	108.8	S26	S26-R52 WeakPolarHBondContact OG-CG 3.34Å
53	F	87.7	Confident	87	Confident	5 Å²	5	65.6 Å²	65.6	2%	0.022	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.8	177.7	-54	-78.1	0	0	0	107.5	T18 H25 C27 R36 A51 S59 V61	T18-F53 HydrophobicContact CG2-CD1 3.87Å; T18-F53 HydrophobicContact CG2-CD2 4.38Å; T18-F53 HydrophobicContact CG2-CE1 3.68Å; T18-F53 HydrophobicContact CG2-CE2 4.21Å; T18-F53 HydrophobicContact CG2-CG 4.22Å; T18-F53 HydrophobicContact CG2-CZ 3.85Å; H25-F53 AromaticContact CD2-CD2 3.4Å; H25-F53 VanDerWaalsContact CD2-CD2 3.4Å; H25-F53 WeakPolarHBondContact CD2-CD2 3.45Å; H25-F53 AromaticContact CD2-CG 3.96Å; H25-F53 WeakPolarHBondContact CE1-CB 3.5Å; H25-F53 AromaticContact CE1-CG 3.97Å; H25-F53 PolarHBondContact N-O 2.06Å; H25-F53 VanDerWaalsContact N-O 3.09Å; H25-F53 WeakPolarHBondContact NE2-CB 3.36Å; H25-F53 AromaticContact NE2-CD2 3.37Å; H25-F53 WeakPolarHBondContact NE2-CD2 3.36Å; H25-F53 AromaticContact NE2-CG 3.51Å; H25-F53 PolarHBondContact O-N 2.86Å; H25-F53 VanDerWaalsContact O-O 3.1Å; C27-F53 HydrophobicContact CB-CE2 4.26Å; R36-F53 HydrophobicContact CG-CE1 4.01Å; A51-F53 HydrophobicContact CB-CE2 3.96Å; A51-F53 HydrophobicContact CB-CZ 3.88Å; F53-S59 WeakPolarHBondContact CD1-OG 3.31Å; F53-S59 WeakPolarHBondContact CE1-OG 3.31Å; F53-V61 HydrophobicContact CE1-CG2 4.03Å; F53-V61 HydrophobicContact CZ-CG2 3.91Å
54	A	86.3	Confident	86.7	Confident	53 Å²	53	65.1 Å²	65.1	44%	0.438	34%	0.339	S	S	.	.			trans	-73.4	163.5	179	0	0	0	0	0	110.7	L56 D57	A54-L56 PolarHBondContact O-N 2.9Å; A54-D57 HydrophobicContact CB-CB 4.14Å; A54-D57 WeakPolarHBondContact O-CB 3.13Å; A54-D57 PolarHBondContact O-N 2.81Å; A54-D57 VanDerWaalsContact O-N 3.08Å
55	Q	85.2	Confident	86.3	Confident	93 Å²	93	66.8 Å²	66.8	44%	0.435	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	132.8	174.4	-178.6	171.5	23.4	0	0	109.9	N24 D57	N24-Q55 WeakPolarHBondContact OD1-CB 3.22Å; N24-Q55 PolarHBondContact OD1-N 2.65Å; Q55-D57 PolarHBondContact O-N 2.82Å
56	L	83.4	Confident	86	Confident	87 Å²	87	72.3 Å²	72.3	46%	0.455	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	15.3	-175.7	-57.7	168.3	0	0	0	115	R20 L21 W22 A54	R20-L56 HydrophobicContact CB-CD2 4.25Å; R20-L56 WeakPolarHBondContact CG-O 3.31Å; L21-L56 PolarHBondContact O-N 3.31Å; W22-L56 HydrophobicContact CG-CD2 4.46Å; A54-L56 PolarHBondContact O-N 2.9Å
57	D	84.2	Confident	85.9	Confident	55 Å²	55	67.6 Å²	67.6	29%	0.294	35%	0.347	S	S	.	.			trans	-80.9	148.5	171.2	-166	17.6	0	0	0	110.9	A54 Q55	A54-D57 HydrophobicContact CB-CB 4.14Å; A54-D57 WeakPolarHBondContact O-CB 3.13Å; A54-D57 PolarHBondContact O-N 2.81Å; A54-D57 VanDerWaalsContact O-N 3.08Å; Q55-D57 PolarHBondContact O-N 2.82Å
58	S	82.3	Confident	86	Confident	44 Å²	44	70.7 Å²	70.7	31%	0.308	35%	0.349	S	S	.	.			trans	-138.3	120.5	177.8	61.5	0	0	0	0	112	T18	T18-S58 VanDerWaalsContact O-CA 3.22Å; T18-S58 WeakPolarHBondContact O-CA 3.3Å
59	S	85.8	Confident	86.2	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.014	33%	0.326	C	S	.	.			trans	-135.3	149.8	-178.6	69.2	0	0	0	0	109.6	N17 T18 D38 F53	N17-S59 WeakPolarHBondContact CA-O 3.11Å; N17-S59 PolarHBondContact OD1-O 3.15Å; T18-S59 PolarHBondContact N-O 2.83Å; T18-S59 PolarHBondContact OG1-N 3.07Å; T18-S59 PolarHBondContact OG1-O 3.4Å; T18-S59 PolarHBondContact OG1-OG 2.86Å; D38-S59 WeakPolarHBondContact OD1-CB 3.14Å; F53-S59 WeakPolarHBondContact CD1-OG 3.31Å; F53-S59 WeakPolarHBondContact CE1-OG 3.31Å
60	I	87.1	Confident	86.3	Confident	78 Å²	78	65.1 Å²	65.1	40%	0.4	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	129.5	173.7	-61.7	171.4	0	0	0	107.3	V15 R36 S37	V15-I60 HydrophobicContact CG1-CG2 3.9Å; R36-I60 CarbonylContact C-O 3.55Å; R36-I60 WeakPolarHBondContact CA-O 3.41Å; S37-I60 PolarHBondContact N-O 2.82Å; S37-I60 PolarHBondContact O-N 2.64Å
61	V	87.8	Confident	86.4	Confident	12 Å²	12	60 Å²	60	7%	0.073	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.4	-177.8	178.7	0	0	0	0	108.8	G16 T18 L34 E35 R36 F53 L63	G16-V61 PolarHBondContact N-O 3.16Å; G16-V61 PolarHBondContact O-N 2.86Å; T18-V61 HydrophobicContact CG2-CG2 3.58Å; L34-V61 HydrophobicContact CD1-CG1 3.15Å; L34-V61 HydrophobicContact CD2-CG1 4.28Å; L34-V61 HydrophobicContact CG-CG1 3.82Å; E35-V61 CarbonylContact O-C 3.57Å; E35-V61 WeakPolarHBondContact O-CA 3.39Å; R36-V61 HydrophobicContact CG-CG2 4.35Å; F53-V61 HydrophobicContact CE1-CG2 4.03Å; F53-V61 HydrophobicContact CZ-CG2 3.91Å; V61-L63 HydrophobicContact CG1-CD1 4.02Å
62	E	87.9	Confident	86.5	Confident	38 Å²	38	64.4 Å²	64.4	18%	0.178	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.4	173.4	-53.9	-169	-168.8	0	0	109.3	K13 V15 E35	K13-E62 VanDerWaalsContact CE-OE2 3.28Å; K13-E62 WeakPolarHBondContact CE-OE2 3.18Å; K13-E62 IonicContact NZ-OE2 3.5Å; K13-E62 PolarHBondContact NZ-OE2 3.43Å; V15-E62 HydrophobicContact CB-CG 4.44Å; V15-E62 HydrophobicContact CG1-CG 4.02Å; V15-E62 HydrophobicContact CG2-CB 4.32Å; V15-E62 HydrophobicContact CG2-CG 3.85Å; E35-E62 HydrophobicContact CB-CB 4.27Å; E35-E62 PolarHBondContact N-O 2.95Å; E35-E62 PolarHBondContact O-N 3Å
63	L	85	Confident	86.6	Confident	19 Å²	19	54.7 Å²	54.7	10%	0.099	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.9	167	-72.1	86.3	0	0	0	108.2	K13 T14 L34 V61 L69	K13-L63 CarbonylContact C-O 3.56Å; K13-L63 VanDerWaalsContact CA-O 3.29Å; K13-L63 WeakPolarHBondContact CA-O 3.46Å; K13-L63 WeakPolarHBondContact CG-O 3.1Å; T14-L63 PolarHBondContact N-O 3.34Å; T14-L63 PolarHBondContact O-N 3.04Å; L34-L63 HydrophobicContact CD1-CD1 3.94Å; L34-L63 HydrophobicContact CD1-CG 3.81Å; V61-L63 HydrophobicContact CG1-CD1 4.02Å; L63-L69 HydrophobicContact CD1-CD1 4.09Å; L63-L69 HydrophobicContact CD2-CD1 3.46Å; L63-L69 VanDerWaalsContact CD2-CD1 3.46Å; L63-L69 HydrophobicContact CD2-CG 3.85Å; L63-L69 HydrophobicContact CG-CD1 3.89Å
64	N	81.6	Confident	86.7	Confident	41 Å²	41	60.6 Å²	60.6	22%	0.219	29%	0.293	C	S	.	.			trans	-76.4	-179.3	171.1	-70.8	-45.9	0	0	0	111.5	S33 K67	S33-N64 PolarHBondContact OG-ND2 2.81Å; N64-K67 HydrophobicContact CB-CG 4.44Å; N64-K67 WeakPolarHBondContact O-CG 3.07Å
65	E	81	Confident	86.8	Confident	130 Å²	130	58.6 Å²	58.6	61%	0.607	28%	0.277	S	S	*	.	S	Bend	trans	-65.8	144	-177	-63.5	173.1	-179.3	0	0	112.8	P11 K13 K67	P11-E65 WeakPolarHBondContact O-CA 3.37Å; K13-E65 HydrophobicContact CB-CG 4.41Å; E65-K67 WeakPolarHBondContact O-CE 3.43Å; E65-K67 WeakPolarHBondContact O-CG 2.95Å; E65-K67 PolarHBondContact O-NZ 2.82Å
66	E	82	Confident	86.8	Confident	152 Å²	152	57.6 Å²	57.6	71%	0.71	28%	0.275	S	S	*	.	S	Bend	trans	51.8	60.4	178.6	-59.4	-176	160.6	0	0	114	S10 P11	S10-E66 WeakPolarHBondContact O-CA 3.48Å; S10-E66 PolarHBondContact O-N 3.34Å; P11-E66 PolarHBondContact O-N 3.36Å; P11-E66 VanDerWaalsContact O-N 3.09Å
67	K	85.3	Confident	86.7	Confident	38 Å²	38	53.8 Å²	53.8	17%	0.165	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	145.3	-176.2	-56.5	-66.5	170.8	-107.9	0	112.1	G9 S10 S31 N64 E65	G9-K67 VanDerWaalsContact CA-O 3.28Å; G9-K67 WeakPolarHBondContact CA-O 2.99Å; S10-K67 PolarHBondContact N-O 3.13Å; S10-K67 PolarHBondContact O-N 2.64Å; S10-K67 VanDerWaalsContact O-N 3.15Å; S31-K67 WeakPolarHBondContact O-CD 3.37Å; N64-K67 HydrophobicContact CB-CG 4.44Å; N64-K67 WeakPolarHBondContact O-CG 3.07Å; E65-K67 WeakPolarHBondContact O-CE 3.43Å; E65-K67 WeakPolarHBondContact O-CG 2.95Å; E65-K67 PolarHBondContact O-NZ 2.82Å
68	W	90.3	Very high	86.4	Confident	137 Å²	137	52.4 Å²	52.4	52%	0.519	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.7	178.2	-68.3	90	0	0	0	110	I7 I8 L30 S31	I7-W68 HydrophobicContact CG2-CE3 3.65Å; I7-W68 HydrophobicContact CG2-CZ3 3.93Å; I8-W68 CarbonylContact O-C 3.56Å; I8-W68 WeakPolarHBondContact O-CA 3.38Å; L30-W68 HydrophobicContact CB-CB 4.07Å; L30-W68 WeakPolarHBondContact CB-O 3.37Å; L30-W68 HydrophobicContact CD1-CB 4.38Å; L30-W68 PolarHBondContact N-O 3.01Å; S31-W68 PolarHBondContact N-O 2.89Å; S31-W68 PolarHBondContact O-N 3.37Å
69	L	91	Very high	86.3	Confident	8 Å²	8	55.5 Å²	55.5	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.5	176.8	-62.1	-178.3	0	0	0	110.3	I7 I8 T28 V29 L34 L63	I7-L69 CarbonylContact C-O 3.54Å; I7-L69 WeakPolarHBondContact CA-O 3.44Å; I8-L69 HydrophobicContact CB-CB 4.42Å; I8-L69 PolarHBondContact N-O 3.25Å; I8-L69 PolarHBondContact O-N 3.48Å; T28-L69 CarbonylContact O-C 3.56Å; T28-L69 WeakPolarHBondContact O-CA 3.34Å; V29-L69 HydrophobicContact CB-CD2 4.14Å; V29-L69 HydrophobicContact CG1-CD2 4.2Å; V29-L69 HydrophobicContact CG2-CD2 3.8Å; L34-L69 HydrophobicContact CB-CD2 4.39Å; L34-L69 HydrophobicContact CD1-CD1 3.75Å; L34-L69 HydrophobicContact CD1-CD2 4.17Å; L34-L69 HydrophobicContact CD2-CD2 4.37Å; L63-L69 HydrophobicContact CD1-CD1 4.09Å; L63-L69 HydrophobicContact CD2-CD1 3.46Å; L63-L69 VanDerWaalsContact CD2-CD1 3.46Å; L63-L69 HydrophobicContact CD2-CG 3.85Å; L63-L69 HydrophobicContact CG-CD1 3.89Å
70	L	92.8	Very high	86.1	Confident	57 Å²	57	55.5 Å²	55.5	30%	0.298	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	108	167.5	177.6	69.8	0	0	0	108.9	V5 I7 C27 T28 L30	V5-L70 HydrophobicContact CG1-CD1 3.62Å; I7-L70 HydrophobicContact CD1-CD1 4.48Å; I7-L70 HydrophobicContact CG1-CD1 3.74Å; C27-L70 CarbonylContact C-O 3.52Å; C27-L70 WeakPolarHBondContact CA-O 3.42Å; T28-L70 PolarHBondContact N-O 3.04Å; T28-L70 PolarHBondContact O-N 3.43Å; L30-L70 HydrophobicContact CD1-CB 4.05Å; L30-L70 HydrophobicContact CD2-CB 4.29Å; L30-L70 HydrophobicContact CG-CB 4.09Å
71	C	90.6	Very high	85.8	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.034	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127.1	178.3	-63.5	0	0	0	0	110.6	V5 A6 S26 C27	V5-C71 CarbonylContact C-O 3.6Å; V5-C71 WeakPolarHBondContact CA-O 3.33Å; A6-C71 PolarHBondContact N-O 2.82Å; A6-C71 PolarHBondContact O-N 3.32Å; S26-C71 CarbonylContact O-C 3.49Å; S26-C71 VanDerWaalsContact O-CA 3.31Å; S26-C71 WeakPolarHBondContact O-CA 3.13Å; C27-C71 HydrophobicContact CB-CB 4.23Å; C27-C71 WeakPolarHBondContact CB-SG 3.4Å; C27-C71 WeakPolarHBondContact SG-CB 3.35Å; C27-C71 CovalentContact SG-SG 2.06Å; C27-C71 PolarHBondContact SG-SG 3.09Å
72	Y	91.5	Very high	85.6	Confident	94 Å²	94	55.4 Å²	55.4	37%	0.369	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.5	171.4	168.6	-103.6	0	0	0	108.8	E3 Y4 V5 H25 S26	E3-Y72 HydrophobicContact CB-CE2 4.13Å; E3-Y72 PolarHBondContact OE2-OH 2.88Å; Y4-Y72 WeakPolarHBondContact O-CA 3.26Å; Y4-Y72 VanDerWaalsContact O-CD2 3.31Å; Y4-Y72 WeakPolarHBondContact O-CD2 3.38Å; V5-Y72 HydrophobicContact CG2-CD2 3.8Å; H25-Y72 CarbonylContact C-O 3.53Å; H25-Y72 VanDerWaalsContact CA-O 3.31Å; H25-Y72 WeakPolarHBondContact CA-O 3.44Å; S26-Y72 PolarHBondContact N-O 2.9Å; S26-Y72 PolarHBondContact O-N 2.88Å
73	G	89.7	Confident	85.3	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157.8	172.8	0	0	0	0	0	114.1	E3 Y4 N24	E3-G73 CarbonylContact C-O 3.51Å; E3-G73 VanDerWaalsContact CA-O 3.23Å; E3-G73 WeakPolarHBondContact CA-O 3.5Å; Y4-G73 WeakPolarHBondContact CD1-O 3.42Å; Y4-G73 PolarHBondContact N-O 3.5Å; Y4-G73 PolarHBondContact O-N 3.15Å; N24-G73 CarbonylContact O-C 3.48Å; N24-G73 WeakPolarHBondContact O-CA 3.22Å
74	R	89.8	Confident	85.1	Confident	129 Å²	129	59.6 Å²	59.6	49%	0.487	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.5	-177	178.3	175.9	-83	-177.5	-6.3	109.6	S2 E3 M23 N24	S2-R74 WeakPolarHBondContact O-CA 3.45Å; E3-R74 IonicContact OE2-CZ 3.67Å; E3-R74 IonicContact OE2-NE 3.64Å; E3-R74 IonicContact OE2-NH2 2.82Å; E3-R74 PolarHBondContact OE2-NH2 3.34Å; M23-R74 WeakPolarHBondContact CA-O 3.16Å; M23-R74 WeakPolarHBondContact CB-O 3.39Å; N24-R74 PolarHBondContact N-O 2.75Å; N24-R74 PolarHBondContact O-N 2.82Å
75	G	88.3	Confident	85.1	Confident	10 Å²	10	58.9 Å²	58.9	10%	0.103	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.7	-142.2	177.6	0	0	0	0	0	112.6	S2 T77	S2-G75 PolarHBondContact N-O 3.08Å; S2-G75 PolarHBondContact O-N 3.39Å; S2-G75 PolarHBondContact OG-O 2.72Å; G75-T77 PolarHBondContact O-N 2.99Å
76	L	85.2	Confident	85.2	Confident	73 Å²	73	60.1 Å²	60.1	38%	0.382	28%	0.279	S	S	.	.			trans	-93.6	75.3	174.9	-66.3	171.2	0	0	0	109.7	W22 P78 M79 A80	W22-L76 HydrophobicContact CB-CB 4.33Å; W22-L76 HydrophobicContact CB-CD1 4.44Å; W22-L76 PolarHBondContact O-N 2.86Å; L76-P78 VanDerWaalsContact C-CD 3.43Å; L76-P78 VanDerWaalsContact C-N 3.33Å; L76-M79 HydrophobicContact CB-CB 4.18Å; L76-M79 HydrophobicContact CB-CG 4.39Å; L76-M79 PolarHBondContact O-N 3.22Å; L76-M79 VanDerWaalsContact O-N 3.12Å; L76-A80 PolarHBondContact O-N 3.41Å
77	T	80.8	Confident	85	Confident	7 Å²	7	55 Å²	55	4%	0.043	26%	0.26	C	S	.	.	H	α-helix	trans	-53.2	-42.6	179.3	-48.5	0	0	0	0	113.2	S2 M23 G75 M79 A80 M81	S2-T77 WeakPolarHBondContact CB-OG1 2.99Å; S2-T77 WeakPolarHBondContact OG-CB 3.11Å; S2-T77 PolarHBondContact OG-N 3.46Å; S2-T77 PolarHBondContact OG-OG1 3.32Å; M23-T77 HydrophobicContact CE-CG2 4Å; G75-T77 PolarHBondContact O-N 2.99Å; T77-M79 VanDerWaalsContact C-N 3.27Å; T77-M79 PolarHBondContact O-N 3.19Å; T77-A80 PolarHBondContact O-N 3.32Å; T77-A80 VanDerWaalsContact O-N 3.08Å; T77-M81 HydrophobicContact CG2-CE 4.22Å; T77-M81 HydrophobicContact CG2-CG 4.41Å; T77-M81 WeakPolarHBondContact O-CG 3.37Å; T77-M81 PolarHBondContact O-N 3.46Å
78	P	78	Confident	84.6	Confident	26 Å²	26	55.5 Å²	55.5	17%	0.169	26%	0.264	C	S	.	.	H	α-helix	trans	-59.3	-35.2	178.7	-25.3	35.3	0	0	0	113.8	L76 P82 Y111	L76-P78 VanDerWaalsContact C-CD 3.43Å; L76-P78 VanDerWaalsContact C-N 3.33Å; P78-P82 WeakPolarHBondContact O-CD 3.46Å; P78-Y111 HydrophobicContact CG-CD2 4.13Å; P78-Y111 HydrophobicContact CG-CG 4.14Å
79	M	81	Confident	84.1	Confident	109 Å²	109	53.7 Å²	53.7	54%	0.537	26%	0.263	S	S	.	.	H	α-helix	trans	-76.4	-25.6	178	-73.4	-61.8	-61.5	0	0	113	W22 L76 T77	W22-M79 HydrophobicContact CE3-CB 4.12Å; W22-M79 HydrophobicContact CE3-CE 4.37Å; W22-M79 HydrophobicContact CZ3-CE 3.96Å; L76-M79 HydrophobicContact CB-CB 4.18Å; L76-M79 HydrophobicContact CB-CG 4.39Å; L76-M79 PolarHBondContact O-N 3.22Å; L76-M79 VanDerWaalsContact O-N 3.12Å; T77-M79 VanDerWaalsContact C-N 3.27Å; T77-M79 PolarHBondContact O-N 3.19Å
80	A	81.2	Confident	83.4	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-83.3	-24.6	177.4	0	0	0	0	0	113.1	L21 M23 L76 T77 Y83 M84	L21-A80 HydrophobicContact CB-CB 4.12Å; L21-A80 HydrophobicContact CD1-CB 4.3Å; L21-A80 HydrophobicContact CD2-CB 3.8Å; L21-A80 HydrophobicContact CG-CB 4.28Å; M23-A80 HydrophobicContact CE-CB 3.26Å; M23-A80 HydrophobicContact CG-CB 4.32Å; M23-A80 HydrophobicContact SD-CB 4.15Å; L76-A80 PolarHBondContact O-N 3.41Å; T77-A80 PolarHBondContact O-N 3.32Å; T77-A80 VanDerWaalsContact O-N 3.08Å; A80-Y83 WeakPolarHBondContact O-CB 3.34Å; A80-Y83 PolarHBondContact O-N 3.48Å; A80-Y83 VanDerWaalsContact O-N 3.16Å; A80-M84 HydrophobicContact CB-CE 4.37Å; A80-M84 PolarHBondContact O-N 2.81Å
81	M	81.7	Confident	82.5	Confident	19 Å²	19	58.2 Å²	58.2	9%	0.094	30%	0.301	C	S	.	.	H	α-helix	trans	-53.6	-49.4	-177.6	-84.6	-70.7	-169.1	0	0	113.8	T77 Y83 M84 T85 L100 F107	T77-M81 HydrophobicContact CG2-CE 4.22Å; T77-M81 HydrophobicContact CG2-CG 4.41Å; T77-M81 WeakPolarHBondContact O-CG 3.37Å; T77-M81 PolarHBondContact O-N 3.46Å; M81-Y83 PolarHBondContact O-N 2.92Å; M81-M84 HydrophobicContact CE-CE 4.38Å; M81-M84 HydrophobicContact CG-CE 4.04Å; M81-M84 PolarHBondContact O-N 3.03Å; M81-M84 VanDerWaalsContact O-N 3.12Å; M81-M84 HydrophobicContact SD-CE 3.62Å; M81-T85 PolarHBondContact O-N 2.91Å; M81-T85 PolarHBondContact O-OG1 3.37Å; M81-T85 VanDerWaalsContact O-OG1 3.1Å; M81-L100 HydrophobicContact CE-CD1 4.18Å; M81-L100 HydrophobicContact SD-CD1 3.89Å; M81-L100 HydrophobicContact SD-CG 4.37Å; M81-F107 HydrophobicContact CE-CD2 4.48Å
82	P	82.3	Confident	81.7	Confident	69 Å²	69	62 Å²	62	45%	0.448	33%	0.333	S	S	.	.	H	α-helix	trans	-55.8	-42.7	178.6	-25.4	33.9	0	0	0	112.1	P78 T85 F86	P78-P82 WeakPolarHBondContact O-CD 3.46Å; P82-T85 PolarHBondContact O-N 2.99Å; P82-F86 WeakPolarHBondContact O-CD2 3.24Å; P82-F86 PolarHBondContact O-N 2.91Å
83	Y	82.6	Confident	80.8	Confident	112 Å²	112	61.5 Å²	61.5	44%	0.439	34%	0.337	S	S	.	.	H	α-helix	trans	-64.4	-45.6	178.9	-164.8	-70.7	0	0	0	111.5	A19 L21 A80 M81 T85 F86 C87	A19-Y83 HydrophobicContact CB-CD1 3.13Å; A19-Y83 HydrophobicContact CB-CE1 2.92Å; A19-Y83 HydrophobicContact CB-CE2 4.35Å; A19-Y83 HydrophobicContact CB-CG 4Å; L21-Y83 HydrophobicContact CD2-CD1 4.05Å; L21-Y83 HydrophobicContact CD2-CG 3.99Å; A80-Y83 WeakPolarHBondContact O-CB 3.34Å; A80-Y83 PolarHBondContact O-N 3.48Å; A80-Y83 VanDerWaalsContact O-N 3.16Å; M81-Y83 PolarHBondContact O-N 2.92Å; Y83-T85 VanDerWaalsContact C-N 3.32Å; Y83-T85 PolarHBondContact O-N 3.01Å; Y83-F86 PolarHBondContact O-N 3.44Å; Y83-C87 WeakPolarHBondContact O-CB 3.22Å; Y83-C87 PolarHBondContact O-N 3.41Å
84	M	80.1	Confident	80.3	Confident	34 Å²	34	67 Å²	67	17%	0.167	36%	0.364	C	S	.	.	H	α-helix	trans	-60.8	-42.4	177.5	-69.1	-172.8	-66.6	0	0	111.5	L21 A80 M81 C87 M88 L100	L21-M84 HydrophobicContact CD1-CG 4.39Å; A80-M84 HydrophobicContact CB-CE 4.37Å; A80-M84 PolarHBondContact O-N 2.81Å; M81-M84 HydrophobicContact CE-CE 4.38Å; M81-M84 HydrophobicContact CG-CE 4.04Å; M81-M84 PolarHBondContact O-N 3.03Å; M81-M84 VanDerWaalsContact O-N 3.12Å; M81-M84 HydrophobicContact SD-CE 3.62Å; M84-C87 WeakPolarHBondContact O-CB 3.27Å; M84-C87 PolarHBondContact O-N 2.92Å; M84-M88 WeakPolarHBondContact O-CG 3.44Å; M84-M88 PolarHBondContact O-N 3.43Å; M84-L100 HydrophobicContact CB-CD2 3.97Å
85	T	81.4	Confident	80	Confident	26 Å²	26	67.1 Å²	67.1	16%	0.16	37%	0.374	C	S	.	.	H	α-helix	trans	-61.5	-45.9	176.4	-57.7	0	0	0	0	111.9	M81 P82 Y83 C87 M88 L89 T97 V101	M81-T85 PolarHBondContact O-N 2.91Å; M81-T85 PolarHBondContact O-OG1 3.37Å; M81-T85 VanDerWaalsContact O-OG1 3.1Å; P82-T85 PolarHBondContact O-N 2.99Å; Y83-T85 VanDerWaalsContact C-N 3.32Å; Y83-T85 PolarHBondContact O-N 3.01Å; T85-C87 VanDerWaalsContact C-N 3.28Å; T85-C87 PolarHBondContact O-N 2.71Å; T85-M88 PolarHBondContact O-N 2.93Å; T85-L89 HydrophobicContact CG2-CD1 4.06Å; T85-L89 HydrophobicContact CG2-CG 4.48Å; T85-L89 WeakPolarHBondContact O-CB 3.42Å; T85-L89 VanDerWaalsContact O-CG 3.29Å; T85-L89 WeakPolarHBondContact O-CG 3.23Å; T85-L89 PolarHBondContact O-N 3.34Å; T85-T97 HydrophobicContact CG2-CG2 4.47Å; T85-V101 HydrophobicContact CG2-CG2 3.45Å; T85-V101 VanDerWaalsContact CG2-CG2 3.45Å
86	F	83.1	Confident	79.7	Confident	155 Å²	155	69 Å²	69	68%	0.68	38%	0.384	S	S	*	.	H	α-helix	trans	-62.9	-35.7	176.5	-78.4	-63.6	0	0	0	112.5	P82 Y83 L89 G90	P82-F86 WeakPolarHBondContact O-CD2 3.24Å; P82-F86 PolarHBondContact O-N 2.91Å; Y83-F86 PolarHBondContact O-N 3.44Å; F86-L89 HydrophobicContact CD1-CD1 4.46Å; F86-G90 PolarHBondContact O-N 3.24Å; F86-G90 VanDerWaalsContact O-N 3.15Å
87	C	78.5	Confident	79.6	Confident	45 Å²	45	66 Å²	66	30%	0.304	37%	0.368	S	S	.	.	H	α-helix	trans	-66.7	-45.9	176.5	-170.5	0	0	0	0	111.8	Y83 M84 T85 G90 Q91	Y83-C87 WeakPolarHBondContact O-CB 3.22Å; Y83-C87 PolarHBondContact O-N 3.41Å; M84-C87 WeakPolarHBondContact O-CB 3.27Å; M84-C87 PolarHBondContact O-N 2.92Å; T85-C87 VanDerWaalsContact C-N 3.28Å; T85-C87 PolarHBondContact O-N 2.71Å; C87-G90 PolarHBondContact O-N 2.95Å; C87-G90 VanDerWaalsContact O-N 3.13Å; C87-Q91 PolarHBondContact O-N 3.13Å
88	M	76.8	Confident	79.9	Confident	49 Å²	49	70.3 Å²	70.3	24%	0.241	39%	0.39	C	S	.	.	H	α-helix	trans	-64.1	-40.6	177.4	-69.9	-81.9	139	0	0	112	M84 T85 G90 Q91 T97 L100	M84-M88 WeakPolarHBondContact O-CG 3.44Å; M84-M88 PolarHBondContact O-N 3.43Å; T85-M88 PolarHBondContact O-N 2.93Å; M88-G90 PolarHBondContact O-N 3.3Å; M88-Q91 PolarHBondContact O-N 3.15Å; M88-T97 WeakPolarHBondContact CB-OG1 3.48Å; M88-L100 HydrophobicContact CG-CD2 3.85Å
89	L	80.4	Confident	80.3	Confident	98 Å²	98	74.2 Å²	74.2	51%	0.513	41%	0.41	S	S	.	.	H	α-helix	trans	-58.5	-36.5	172.8	-76.3	168.9	0	0	0	112.2	T85 F86 Q91 A92 T97	T85-L89 HydrophobicContact CG2-CD1 4.06Å; T85-L89 HydrophobicContact CG2-CG 4.48Å; T85-L89 WeakPolarHBondContact O-CB 3.42Å; T85-L89 VanDerWaalsContact O-CG 3.29Å; T85-L89 WeakPolarHBondContact O-CG 3.23Å; T85-L89 PolarHBondContact O-N 3.34Å; F86-L89 HydrophobicContact CD1-CD1 4.46Å; L89-Q91 VanDerWaalsContact C-N 3.28Å; L89-Q91 PolarHBondContact O-N 3.39Å; L89-A92 PolarHBondContact O-N 3.06Å; L89-T97 HydrophobicContact CD2-CG2 3.68Å; L89-T97 HydrophobicContact CG-CG2 3.82Å
90	G	76.6	Confident	80.4	Confident	69 Å²	69	71 Å²	71	71%	0.711	39%	0.394	S	S	*	.	H	α-helix	trans	-68.3	-23.9	176.2	0	0	0	0	0	114.2	F86 C87 M88 A92	F86-G90 PolarHBondContact O-N 3.24Å; F86-G90 VanDerWaalsContact O-N 3.15Å; C87-G90 PolarHBondContact O-N 2.95Å; C87-G90 VanDerWaalsContact O-N 3.13Å; M88-G90 PolarHBondContact O-N 3.3Å; G90-A92 PolarHBondContact O-N 3.39Å
91	Q	73	Confident	80.6	Confident	92 Å²	92	74 Å²	74	43%	0.43	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.1	176	-65.4	-176.5	-14.5	0	0	113	C87 M88 L89 D93	C87-Q91 PolarHBondContact O-N 3.13Å; M88-Q91 PolarHBondContact O-N 3.15Å; L89-Q91 VanDerWaalsContact C-N 3.28Å; L89-Q91 PolarHBondContact O-N 3.39Å; Q91-D93 PolarHBondContact O-N 2.96Å; Q91-D93 VanDerWaalsContact O-N 3.13Å
92	A	73.3	Confident	80.9	Confident	84 Å²	84	76.9 Å²	76.9	69%	0.694	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	18.8	-178.3	0	0	0	0	0	114.9	L89 G90	L89-A92 PolarHBondContact O-N 3.06Å; G90-A92 PolarHBondContact O-N 3.39Å
93	D	74	Confident	80.9	Confident	84 Å²	84	76.5 Å²	76.5	45%	0.449	43%	0.427	S	S	.	.			trans	-94.8	98.3	174.3	-162.5	-9.1	0	0	0	110.8	Q91 P96 T97	Q91-D93 PolarHBondContact O-N 2.96Å; Q91-D93 VanDerWaalsContact O-N 3.13Å; D93-P96 HydrophobicContact CB-CG 3.84Å; D93-P96 WeakPolarHBondContact OD1-CD 3.29Å; D93-P96 WeakPolarHBondContact OD2-CD 3.49Å; D93-P96 WeakPolarHBondContact OD2-CG 3.5Å; D93-T97 WeakPolarHBondContact O-CB 3.1Å; D93-T97 PolarHBondContact O-OG1 2.93Å
94	I	77.7	Confident	80.9	Confident	115 Å²	115	71.5 Å²	71.5	59%	0.59	41%	0.411	S	S	*	.	H	α-helix	trans	-73.8	-32.5	-171	-62.9	169.3	0	0	0	111.5	T97 I98	I94-T97 PolarHBondContact O-N 3.04Å; I94-I98 HydrophobicContact CG2-CD1 3.74Å; I94-I98 HydrophobicContact CG2-CG1 4.27Å; I94-I98 WeakPolarHBondContact O-CG1 3.49Å; I94-I98 PolarHBondContact O-N 2.87Å
95	I	84.9	Confident	81.1	Confident	133 Å²	133	72.1 Å²	72.1	68%	0.682	42%	0.421	S	S	*	.	H	α-helix	trans	-66.7	-56.1	-173.5	-53.4	-56.9	0	0	0	112.5	T97 I98 D99	I95-T97 PolarHBondContact O-N 2.98Å; I95-I98 PolarHBondContact O-N 2.89Å; I95-D99 PolarHBondContact O-N 3Å
96	P	81.5	Confident	81.3	Confident	49 Å²	49	77 Å²	77	32%	0.318	44%	0.44	S	S	.	.	H	α-helix	trans	-68.2	-25.5	176.3	30.2	-34.3	0	0	0	111.7	D93 D99 L100	D93-P96 HydrophobicContact CB-CG 3.84Å; D93-P96 WeakPolarHBondContact OD1-CD 3.29Å; D93-P96 WeakPolarHBondContact OD2-CD 3.49Å; D93-P96 WeakPolarHBondContact OD2-CG 3.5Å; P96-D99 PolarHBondContact O-N 3.31Å; P96-L100 VanDerWaalsContact O-CB 3.27Å; P96-L100 WeakPolarHBondContact O-CB 3.46Å; P96-L100 PolarHBondContact O-N 3.31Å
97	T	82.5	Confident	81.2	Confident	9 Å²	9	74.6 Å²	74.6	6%	0.055	43%	0.429	C	S	.	.	H	α-helix	trans	-63.3	-45.7	175	-62.1	0	0	0	0	111.4	T85 M88 L89 D93 I94 I95 L100 V101	T85-T97 HydrophobicContact CG2-CG2 4.47Å; M88-T97 WeakPolarHBondContact CB-OG1 3.48Å; L89-T97 HydrophobicContact CD2-CG2 3.68Å; L89-T97 HydrophobicContact CG-CG2 3.82Å; D93-T97 WeakPolarHBondContact O-CB 3.1Å; D93-T97 PolarHBondContact O-OG1 2.93Å; I94-T97 PolarHBondContact O-N 3.04Å; I95-T97 PolarHBondContact O-N 2.98Å; T97-L100 PolarHBondContact O-N 2.98Å; T97-V101 HydrophobicContact CG2-CG2 4.36Å; T97-V101 WeakPolarHBondContact O-CB 3.43Å; T97-V101 VanDerWaalsContact O-CG2 3.22Å; T97-V101 WeakPolarHBondContact O-CG2 3.45Å; T97-V101 PolarHBondContact O-N 3.37Å
98	I	87	Confident	81.4	Confident	99 Å²	99	74.8 Å²	74.8	51%	0.508	43%	0.43	S	S	.	.	H	α-helix	trans	-62.8	-45.4	178.4	-68.4	166.4	0	0	0	110.2	I94 I95 L100 V101 T102	I94-I98 HydrophobicContact CG2-CD1 3.74Å; I94-I98 HydrophobicContact CG2-CG1 4.27Å; I94-I98 WeakPolarHBondContact O-CG1 3.49Å; I94-I98 PolarHBondContact O-N 2.87Å; I95-I98 PolarHBondContact O-N 2.89Å; I98-L100 PolarHBondContact O-N 3.22Å; I98-V101 PolarHBondContact O-N 2.72Å; I98-T102 HydrophobicContact CG2-CG2 4.37Å; I98-T102 WeakPolarHBondContact O-CG2 3.47Å; I98-T102 PolarHBondContact O-N 3.47Å; I98-T102 PolarHBondContact O-OG1 2.86Å
99	D	86.3	Confident	81.7	Confident	107 Å²	107	77.4 Å²	77.4	57%	0.572	44%	0.444	S	S	*	.	H	α-helix	trans	-60.4	-47.8	178.9	-167.5	36.5	0	0	0	111	I95 P96 V101 T102 V103	I95-D99 PolarHBondContact O-N 3Å; P96-D99 PolarHBondContact O-N 3.31Å; D99-V101 VanDerWaalsContact C-N 3.32Å; D99-V101 PolarHBondContact O-N 3.07Å; D99-T102 PolarHBondContact O-N 3.49Å; D99-T102 PolarHBondContact O-OG1 2.79Å; D99-V103 WeakPolarHBondContact O-CG2 3.39Å; D99-V103 PolarHBondContact O-N 3.43Å
100	L	83.3	Confident	81.7	Confident	41 Å²	41	76.1 Å²	76.1	22%	0.215	44%	0.438	C	S	.	.	H	α-helix	trans	-58.4	-41.8	175.7	-176.9	67.2	0	0	0	112.4	M81 M84 M88 P96 T97 I98 G104	M81-L100 HydrophobicContact CE-CD1 4.18Å; M81-L100 HydrophobicContact SD-CD1 3.89Å; M81-L100 HydrophobicContact SD-CG 4.37Å; M84-L100 HydrophobicContact CB-CD2 3.97Å; M88-L100 HydrophobicContact CG-CD2 3.85Å; P96-L100 VanDerWaalsContact O-CB 3.27Å; P96-L100 WeakPolarHBondContact O-CB 3.46Å; P96-L100 PolarHBondContact O-N 3.31Å; T97-L100 PolarHBondContact O-N 2.98Å; I98-L100 PolarHBondContact O-N 3.22Å; L100-G104 WeakPolarHBondContact O-CA 3.26Å; L100-G104 PolarHBondContact O-N 3.34Å
101	V	85.8	Confident	81.9	Confident	64 Å²	64	78.7 Å²	78.7	39%	0.388	43%	0.427	S	S	.	.	H	α-helix	trans	-66.2	-42.5	178.2	169.2	0	0	0	0	111.3	T85 T97 I98 D99 G104 A105	T85-V101 HydrophobicContact CG2-CG2 3.45Å; T85-V101 VanDerWaalsContact CG2-CG2 3.45Å; T97-V101 HydrophobicContact CG2-CG2 4.36Å; T97-V101 WeakPolarHBondContact O-CB 3.43Å; T97-V101 VanDerWaalsContact O-CG2 3.22Å; T97-V101 WeakPolarHBondContact O-CG2 3.45Å; T97-V101 PolarHBondContact O-N 3.37Å; I98-V101 PolarHBondContact O-N 2.72Å; D99-V101 VanDerWaalsContact C-N 3.32Å; D99-V101 PolarHBondContact O-N 3.07Å; V101-G104 PolarHBondContact O-N 3.25Å; V101-A105 WeakPolarHBondContact O-CB 3.02Å; V101-A105 PolarHBondContact O-N 2.99Å
102	T	87.3	Confident	82.2	Confident	81 Å²	81	80 Å²	80	50%	0.497	43%	0.431	S	S	.	.	H	α-helix	trans	-67	-43.9	179.8	60.7	0	0	0	0	111.9	I98 D99 A105 K106	I98-T102 HydrophobicContact CG2-CG2 4.37Å; I98-T102 WeakPolarHBondContact O-CG2 3.47Å; I98-T102 PolarHBondContact O-N 3.47Å; I98-T102 PolarHBondContact O-OG1 2.86Å; D99-T102 PolarHBondContact O-N 3.49Å; D99-T102 PolarHBondContact O-OG1 2.79Å; T102-A105 PolarHBondContact O-N 2.94Å; T102-K106 PolarHBondContact O-N 2.99Å
103	V	83.6	Confident	82.6	Confident	60 Å²	60	80 Å²	80	36%	0.364	42%	0.424	S	S	.	.	H	α-helix	trans	-64.2	-44.7	175	173.9	0	0	0	0	110.4	D99 K106 F107	D99-V103 WeakPolarHBondContact O-CG2 3.39Å; D99-V103 PolarHBondContact O-N 3.43Å; V103-K106 PolarHBondContact O-N 3.31Å; V103-F107 HydrophobicContact CG1-CD2 3.69Å; V103-F107 HydrophobicContact CG1-CE2 3.6Å; V103-F107 VanDerWaalsContact O-CD2 3.24Å; V103-F107 WeakPolarHBondContact O-CD2 3.21Å; V103-F107 PolarHBondContact O-N 3.12Å
104	G	81.7	Confident	82.9	Confident	8 Å²	8	80.1 Å²	80.1	8%	0.082	43%	0.427	C	S	.	.	H	α-helix	trans	-62.7	-43.5	177.5	0	0	0	0	0	113.4	L100 V101 K106 F107 C108	L100-G104 WeakPolarHBondContact O-CA 3.26Å; L100-G104 PolarHBondContact O-N 3.34Å; V101-G104 PolarHBondContact O-N 3.25Å; G104-K106 VanDerWaalsContact C-N 3.33Å; G104-K106 PolarHBondContact O-N 3.1Å; G104-F107 PolarHBondContact O-N 3.26Å; G104-C108 VanDerWaalsContact O-CB 3.26Å; G104-C108 WeakPolarHBondContact O-CB 3.36Å; G104-C108 PolarHBondContact O-N 3.08Å
105	A	84	Confident	82.9	Confident	46 Å²	46	77.1 Å²	77.1	38%	0.38	41%	0.412	S	S	.	.	H	α-helix	trans	-61.4	-42.9	175.8	0	0	0	0	0	111	V101 T102 C108 I109	V101-A105 WeakPolarHBondContact O-CB 3.02Å; V101-A105 PolarHBondContact O-N 2.99Å; T102-A105 PolarHBondContact O-N 2.94Å; A105-C108 WeakPolarHBondContact O-CB 3.29Å; A105-C108 PolarHBondContact O-N 3.16Å; A105-I109 VanDerWaalsContact O-CG1 3.31Å; A105-I109 WeakPolarHBondContact O-CG1 3.29Å; A105-I109 PolarHBondContact O-N 3.32Å
106	K	85.5	Confident	82.6	Confident	130 Å²	130	73.2 Å²	73.2	57%	0.565	40%	0.397	S	S	*	.	H	α-helix	trans	-60.4	-49.1	175.3	-171.8	-175.2	-179.4	-60.1	0	111.6	T102 V103 G104 C108 I109 D110	T102-K106 PolarHBondContact O-N 2.99Å; V103-K106 PolarHBondContact O-N 3.31Å; G104-K106 VanDerWaalsContact C-N 3.33Å; G104-K106 PolarHBondContact O-N 3.1Å; K106-C108 VanDerWaalsContact C-N 3.28Å; K106-C108 PolarHBondContact O-N 3.24Å; K106-I109 PolarHBondContact O-N 3.12Å; K106-D110 IonicContact NZ-OD2 2.72Å; K106-D110 PolarHBondContact NZ-OD2 2.95Å; K106-D110 WeakPolarHBondContact O-CB 3.47Å; K106-D110 VanDerWaalsContact O-CG 3.29Å; K106-D110 PolarHBondContact O-N 3.02Å
107	F	82.1	Confident	82.4	Confident	103 Å²	103	79.5 Å²	79.5	45%	0.452	41%	0.414	S	S	.	.	H	α-helix	trans	-61.4	-36.9	177	-86.3	-67.7	0	0	0	112.8	M81 V103 G104 Y111	M81-F107 HydrophobicContact CE-CD2 4.48Å; V103-F107 HydrophobicContact CG1-CD2 3.69Å; V103-F107 HydrophobicContact CG1-CE2 3.6Å; V103-F107 VanDerWaalsContact O-CD2 3.24Å; V103-F107 WeakPolarHBondContact O-CD2 3.21Å; V103-F107 PolarHBondContact O-N 3.12Å; G104-F107 PolarHBondContact O-N 3.26Å; F107-Y111 VanDerWaalsContact O-CB 3.29Å; F107-Y111 WeakPolarHBondContact O-CB 3.31Å; F107-Y111 PolarHBondContact O-N 3.45Å
108	C	81.4	Confident	82	Confident	49 Å²	49	84.5 Å²	84.5	33%	0.331	44%	0.437	S	S	.	.	H	α-helix	trans	-66.2	-46.5	178.3	-163.6	0	0	0	0	111.3	G104 A105 K106 Y111 F112	G104-C108 VanDerWaalsContact O-CB 3.26Å; G104-C108 WeakPolarHBondContact O-CB 3.36Å; G104-C108 PolarHBondContact O-N 3.08Å; A105-C108 WeakPolarHBondContact O-CB 3.29Å; A105-C108 PolarHBondContact O-N 3.16Å; K106-C108 VanDerWaalsContact C-N 3.28Å; K106-C108 PolarHBondContact O-N 3.24Å; C108-Y111 PolarHBondContact O-N 3.06Å; C108-F112 WeakPolarHBondContact O-CD2 3.34Å; C108-F112 PolarHBondContact O-N 3.28Å; C108-F112 WeakPolarHBondContact SG-CE2 3.2Å
109	I	83.4	Confident	81.3	Confident	104 Å²	104	86.3 Å²	86.3	53%	0.533	44%	0.437	S	S	.	.	H	α-helix	trans	-62.5	-46.2	176.3	-67.5	163.4	0	0	0	110.8	A105 K106 Y111 F112 T113	A105-I109 VanDerWaalsContact O-CG1 3.31Å; A105-I109 WeakPolarHBondContact O-CG1 3.29Å; A105-I109 PolarHBondContact O-N 3.32Å; K106-I109 PolarHBondContact O-N 3.12Å; I109-Y111 VanDerWaalsContact C-N 3.29Å; I109-Y111 PolarHBondContact O-N 2.86Å; I109-F112 PolarHBondContact O-N 2.98Å; I109-T113 WeakPolarHBondContact O-CB 3.5Å; I109-T113 PolarHBondContact O-N 2.94Å; I109-T113 PolarHBondContact O-OG1 3.02Å
110	D	82.1	Confident	80.9	Confident	72 Å²	72	85.8 Å²	85.8	39%	0.385	43%	0.434	S	S	.	.	H	α-helix	trans	-60.2	-41.5	178.2	-71.2	-23.5	0	0	0	110.6	K106 T113 V114	K106-D110 IonicContact NZ-OD2 2.72Å; K106-D110 PolarHBondContact NZ-OD2 2.95Å; K106-D110 WeakPolarHBondContact O-CB 3.47Å; K106-D110 VanDerWaalsContact O-CG 3.29Å; K106-D110 PolarHBondContact O-N 3.02Å; D110-T113 PolarHBondContact O-N 3.4Å; D110-V114 VanDerWaalsContact O-CG2 3.29Å; D110-V114 WeakPolarHBondContact O-CG2 3.4Å; D110-V114 PolarHBondContact O-N 3.31Å
111	Y	79.7	Confident	80.7	Confident	122 Å²	122	88.7 Å²	88.7	48%	0.478	45%	0.449	S	S	.	.	H	α-helix	trans	-63.5	-49.1	176.1	-173.5	-94.8	0	0	0	112.5	P78 F107 C108 I109 T113 V114 D115	P78-Y111 HydrophobicContact CG-CD2 4.13Å; P78-Y111 HydrophobicContact CG-CG 4.14Å; F107-Y111 VanDerWaalsContact O-CB 3.29Å; F107-Y111 WeakPolarHBondContact O-CB 3.31Å; F107-Y111 PolarHBondContact O-N 3.45Å; C108-Y111 PolarHBondContact O-N 3.06Å; I109-Y111 VanDerWaalsContact C-N 3.29Å; I109-Y111 PolarHBondContact O-N 2.86Å; Y111-T113 VanDerWaalsContact C-N 3.31Å; Y111-T113 PolarHBondContact O-N 3.05Å; Y111-V114 PolarHBondContact O-N 3.4Å; Y111-D115 WeakPolarHBondContact O-CB 3.49Å; Y111-D115 PolarHBondContact O-N 2.94Å
112	F	79.7	Confident	80.1	Confident	119 Å²	119	92.2 Å²	92.2	52%	0.522	46%	0.463	S	S	.	.	H	α-helix	trans	-65.6	-32.4	178.3	-81.4	-63	0	0	0	113.2	C108 I109 S116	C108-F112 WeakPolarHBondContact O-CD2 3.34Å; C108-F112 PolarHBondContact O-N 3.28Å; C108-F112 WeakPolarHBondContact SG-CE2 3.2Å; I109-F112 PolarHBondContact O-N 2.98Å; F112-S116 WeakPolarHBondContact O-CB 3.44Å; F112-S116 PolarHBondContact O-N 2.74Å; F112-S116 PolarHBondContact O-OG 3.08Å
113	T	81.5	Confident	79.4	Confident	86 Å²	86	93.7 Å²	93.7	53%	0.528	47%	0.467	S	S	.	.	H	α-helix	trans	-69.6	-41.7	177.2	-56	0	0	0	0	110.8	I109 D110 Y111 S116 R117	I109-T113 WeakPolarHBondContact O-CB 3.5Å; I109-T113 PolarHBondContact O-N 2.94Å; I109-T113 PolarHBondContact O-OG1 3.02Å; D110-T113 PolarHBondContact O-N 3.4Å; Y111-T113 VanDerWaalsContact C-N 3.31Å; Y111-T113 PolarHBondContact O-N 3.05Å; T113-S116 PolarHBondContact O-N 3.42Å; T113-R117 WeakPolarHBondContact O-CB 3.47Å; T113-R117 PolarHBondContact O-N 3.15Å
114	V	79.9	Confident	79.1	Confident	86 Å²	86	96.1 Å²	96.1	52%	0.521	48%	0.478	S	S	.	.	H	α-helix	trans	-64.8	-46.6	175.3	172.5	0	0	0	0	111	D110 Y111 S116 R117 E118	D110-V114 VanDerWaalsContact O-CG2 3.29Å; D110-V114 WeakPolarHBondContact O-CG2 3.4Å; D110-V114 PolarHBondContact O-N 3.31Å; Y111-V114 PolarHBondContact O-N 3.4Å; V114-S116 VanDerWaalsContact C-N 3.33Å; V114-S116 PolarHBondContact O-N 3.34Å; V114-R117 WeakPolarHBondContact O-CB 3.35Å; V114-R117 PolarHBondContact O-N 2.74Å; V114-R117 VanDerWaalsContact O-N 3.08Å; V114-E118 PolarHBondContact O-N 3.49Å
115	D	78.8	Confident	78.5	Confident	52 Å²	52	98.3 Å²	98.3	28%	0.278	50%	0.496	S	S	.	.	H	α-helix	trans	-60.1	-41.1	177.1	178.1	77.9	0	0	0	112.5	Y111 R117 E118 R119	Y111-D115 WeakPolarHBondContact O-CB 3.49Å; Y111-D115 PolarHBondContact O-N 2.94Å; D115-R117 VanDerWaalsContact C-N 3.29Å; D115-R117 PolarHBondContact O-N 3.12Å; D115-E118 PolarHBondContact O-N 3.33Å; D115-R119 PolarHBondContact O-N 3.41Å; D115-R119 VanDerWaalsContact O-N 3.15Å; D115-R119 IonicContact OD2-CZ 3.28Å; D115-R119 VanDerWaalsContact OD2-CZ 3.28Å; D115-R119 IonicContact OD2-NE 3.12Å; D115-R119 PolarHBondContact OD2-NE 2.75Å; D115-R119 VanDerWaalsContact OD2-NE 3.12Å; D115-R119 IonicContact OD2-NH2 2.74Å; D115-R119 PolarHBondContact OD2-NH2 2.96Å
116	S	77.9	Confident	77.9	Confident	51 Å²	51	97.9 Å²	97.9	36%	0.357	50%	0.495	S	S	.	.	H	α-helix	trans	-65.1	-34.9	175.6	-58.1	0	0	0	0	112	F112 T113 V114 N120	F112-S116 WeakPolarHBondContact O-CB 3.44Å; F112-S116 PolarHBondContact O-N 2.74Å; F112-S116 PolarHBondContact O-OG 3.08Å; T113-S116 PolarHBondContact O-N 3.42Å; V114-S116 VanDerWaalsContact C-N 3.33Å; V114-S116 PolarHBondContact O-N 3.34Å; S116-N120 PolarHBondContact O-N 3.43Å; S116-N120 VanDerWaalsContact O-N 3.09Å; S116-N120 PolarHBondContact O-ND2 3.39Å
117	R	76.6	Confident	77	Confident	181 Å²	181	95.8 Å²	95.8	68%	0.683	49%	0.493	S	S	*	.	H	α-helix	trans	-69.2	-41.8	178.1	-170	178	-175	-177.8	1.6	112	T113 V114 D115 R119 N120 I121	T113-R117 WeakPolarHBondContact O-CB 3.47Å; T113-R117 PolarHBondContact O-N 3.15Å; V114-R117 WeakPolarHBondContact O-CB 3.35Å; V114-R117 PolarHBondContact O-N 2.74Å; V114-R117 VanDerWaalsContact O-N 3.08Å; D115-R117 VanDerWaalsContact C-N 3.29Å; D115-R117 PolarHBondContact O-N 3.12Å; R117-R119 VanDerWaalsContact C-N 3.34Å; R117-N120 PolarHBondContact O-N 3.07Å; R117-I121 HydrophobicContact CG-CD1 4.21Å; R117-I121 WeakPolarHBondContact O-CG1 3.42Å; R117-I121 PolarHBondContact O-N 3.02Å; R117-I121 VanDerWaalsContact O-N 3.07Å
118	E	74.8	Confident	75.9	Confident	113 Å²	113	98.1 Å²	98.1	53%	0.528	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-40.8	176.4	-69.4	-167.4	154.1	0	0	111.5	V114 D115 N120 I121 M122	V114-E118 PolarHBondContact O-N 3.49Å; D115-E118 PolarHBondContact O-N 3.33Å; E118-N120 PolarHBondContact O-N 3.33Å; E118-I121 PolarHBondContact O-N 3.01Å; E118-M122 WeakPolarHBondContact O-CG 3.37Å; E118-M122 PolarHBondContact O-N 3.26Å
119	R	72.4	Confident	74.9	Confident	138 Å²	138	99.6 Å²	99.6	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-62.7	-40.3	174.8	-74.9	-169.7	-80.9	166.9	-5.2	113	D115 R117 M122 L123	D115-R119 PolarHBondContact O-N 3.41Å; D115-R119 VanDerWaalsContact O-N 3.15Å; D115-R119 IonicContact OD2-CZ 3.28Å; D115-R119 VanDerWaalsContact OD2-CZ 3.28Å; D115-R119 IonicContact OD2-NE 3.12Å; D115-R119 PolarHBondContact OD2-NE 2.75Å; D115-R119 VanDerWaalsContact OD2-NE 3.12Å; D115-R119 IonicContact OD2-NH2 2.74Å; D115-R119 PolarHBondContact OD2-NH2 2.96Å; R117-R119 VanDerWaalsContact C-N 3.34Å; R119-M122 PolarHBondContact O-N 3.46Å; R119-L123 VanDerWaalsContact O-CG 3.32Å; R119-L123 WeakPolarHBondContact O-CG 3.35Å; R119-L123 PolarHBondContact O-N 3.38Å
120	N	77.3	Confident	73.7	Confident	95 Å²	95	97.6 Å²	97.6	51%	0.508	51%	0.511	S	S	.	.	H	α-helix	trans	-65.4	-41.3	176.6	-72.7	-20.5	0	0	0	112.1	S116 R117 E118 M122 L123 D124	S116-N120 PolarHBondContact O-N 3.43Å; S116-N120 VanDerWaalsContact O-N 3.09Å; S116-N120 PolarHBondContact O-ND2 3.39Å; R117-N120 PolarHBondContact O-N 3.07Å; E118-N120 PolarHBondContact O-N 3.33Å; N120-M122 VanDerWaalsContact C-N 3.35Å; N120-M122 PolarHBondContact O-N 3.09Å; N120-L123 PolarHBondContact O-N 2.94Å; N120-D124 PolarHBondContact O-N 3.44Å
121	I	78.7	Confident	73	Confident	103 Å²	103	98.8 Å²	98.8	53%	0.528	52%	0.521	S	S	.	.	H	α-helix	trans	-65	-39.2	177.2	-65.9	166.1	0	0	0	111.2	R117 E118 D124 A125	R117-I121 HydrophobicContact CG-CD1 4.21Å; R117-I121 WeakPolarHBondContact O-CG1 3.42Å; R117-I121 PolarHBondContact O-N 3.02Å; R117-I121 VanDerWaalsContact O-N 3.07Å; E118-I121 PolarHBondContact O-N 3.01Å; I121-D124 PolarHBondContact O-N 3.47Å; I121-A125 WeakPolarHBondContact O-CB 3.32Å; I121-A125 PolarHBondContact O-N 2.92Å
122	M	73.6	Confident	72	Confident	137 Å²	137	101.4 Å²	101.4	68%	0.675	54%	0.535	S	S	*	.	H	α-helix	trans	-66.6	-37	175.7	-70.7	-174.6	-164.6	0	0	112.4	E118 R119 N120 G126	E118-M122 WeakPolarHBondContact O-CG 3.37Å; E118-M122 PolarHBondContact O-N 3.26Å; R119-M122 PolarHBondContact O-N 3.46Å; N120-M122 VanDerWaalsContact C-N 3.35Å; N120-M122 PolarHBondContact O-N 3.09Å; M122-G126 PolarHBondContact O-N 3.39Å
123	L	73.7	Confident	71.2	Confident	113 Å²	113	106.4 Å²	106.4	59%	0.592	55%	0.551	S	S	*	*	H	α-helix	trans	-66.4	-44.4	174.7	-72.1	169.8	0	0	0	111.3	R119 N120 A125 G126 V127	R119-L123 VanDerWaalsContact O-CG 3.32Å; R119-L123 WeakPolarHBondContact O-CG 3.35Å; R119-L123 PolarHBondContact O-N 3.38Å; N120-L123 PolarHBondContact O-N 2.94Å; L123-A125 PolarHBondContact O-N 3.06Å; L123-G126 PolarHBondContact O-N 2.85Å; L123-V127 VanDerWaalsContact O-CG2 3.28Å; L123-V127 WeakPolarHBondContact O-CG2 3.28Å; L123-V127 PolarHBondContact O-N 3.2Å
124	D	76.7	Confident	70.4	Confident	110 Å²	110	109.4 Å²	109.4	59%	0.588	56%	0.564	S	S	*	*	H	α-helix	trans	-63.5	-40.4	176.8	-73.6	-25.8	0	0	0	111.9	N120 I121 V127 Q128	N120-D124 PolarHBondContact O-N 3.44Å; I121-D124 PolarHBondContact O-N 3.47Å; D124-V127 PolarHBondContact O-N 2.88Å; D124-Q128 PolarHBondContact O-N 3.45Å
125	A	69.4	Low	69.2	Low	55 Å²	55	117 Å²	117	46%	0.455	59%	0.59	S	S	.	*	H	α-helix	trans	-65.9	-39	173.9	0	0	0	0	0	112	I121 L123 Q128 S129	I121-A125 WeakPolarHBondContact O-CB 3.32Å; I121-A125 PolarHBondContact O-N 2.92Å; L123-A125 PolarHBondContact O-N 3.06Å; A125-Q128 PolarHBondContact O-N 3.47Å; A125-S129 PolarHBondContact O-N 2.91Å
126	G	71	Confident	68.8	Low	36 Å²	36	120.3 Å²	120.3	37%	0.371	61%	0.605	S	S	.	*	H	α-helix	trans	-61.1	-46.1	173.2	0	0	0	0	0	112	M122 L123 S129 S130	M122-G126 PolarHBondContact O-N 3.39Å; L123-G126 PolarHBondContact O-N 2.85Å; G126-S129 PolarHBondContact O-N 3.35Å; G126-S129 PolarHBondContact O-OG 3.22Å; G126-S130 PolarHBondContact O-N 3.27Å
127	V	66.5	Low	68.3	Low	87 Å²	87	123.9 Å²	123.9	53%	0.527	62%	0.618	S	S	.	*	H	α-helix	trans	-65.1	-40.1	177.3	172.2	0	0	0	0	111.8	L123 D124 S129 S130 V131	L123-V127 VanDerWaalsContact O-CG2 3.28Å; L123-V127 WeakPolarHBondContact O-CG2 3.28Å; L123-V127 PolarHBondContact O-N 3.2Å; D124-V127 PolarHBondContact O-N 2.88Å; V127-S129 VanDerWaalsContact C-N 3.32Å; V127-S129 PolarHBondContact O-N 3.47Å; V127-S130 PolarHBondContact O-N 3.17Å; V127-S130 PolarHBondContact O-OG 3.46Å; V127-V131 WeakPolarHBondContact O-CG2 3.34Å; V127-V131 PolarHBondContact O-N 2.94Å
128	Q	59.4	Low	67.8	Low	152 Å²	152	120.7 Å²	120.7	71%	0.71	62%	0.615	S	S	*	*	H	α-helix	trans	-64.9	-37	174.7	-80.2	-165.9	-23	0	0	112.5	D124 A125 V131 F132	D124-Q128 PolarHBondContact O-N 3.45Å; A125-Q128 PolarHBondContact O-N 3.47Å; Q128-V131 PolarHBondContact O-N 3.46Å; Q128-F132 PolarHBondContact O-N 2.75Å
129	S	59.4	Low	67.4	Low	79 Å²	79	121.2 Å²	121.2	55%	0.552	62%	0.62	S	S	*	*	H	α-helix	trans	-69.7	-31.2	179.9	76.5	0	0	0	0	113.7	A125 G126 V127	A125-S129 PolarHBondContact O-N 2.91Å; G126-S129 PolarHBondContact O-N 3.35Å; G126-S129 PolarHBondContact O-OG 3.22Å; V127-S129 VanDerWaalsContact C-N 3.32Å; V127-S129 PolarHBondContact O-N 3.47Å
130	S	59.1	Low	67.1	Low	62 Å²	62	120.1 Å²	120.1	43%	0.434	63%	0.626	S	S	.	*	H	α-helix	trans	-74.1	-40.6	174.4	56.6	0	0	0	0	111.7	G126 V127 F132 R133	G126-S130 PolarHBondContact O-N 3.27Å; V127-S130 PolarHBondContact O-N 3.17Å; V127-S130 PolarHBondContact O-OG 3.46Å; S130-F132 VanDerWaalsContact C-N 3.29Å; S130-F132 PolarHBondContact O-N 3.47Å; S130-R133 PolarHBondContact O-N 3.12Å; S130-R133 VanDerWaalsContact O-N 3.12Å
131	V	66	Low	66.4	Low	97 Å²	97	121.8 Å²	121.8	59%	0.588	63%	0.634	S	S	*	*	H	α-helix	trans	-62.9	-34.2	177	174	0	0	0	0	112.3	V127 Q128 R133	V127-V131 WeakPolarHBondContact O-CG2 3.34Å; V127-V131 PolarHBondContact O-N 2.94Å; Q128-V131 PolarHBondContact O-N 3.46Å; V131-R133 VanDerWaalsContact C-N 3.29Å; V131-R133 PolarHBondContact O-N 3.18Å
132	F	59.5	Low	65.5	Low	177 Å²	177	123.1 Å²	123.1	78%	0.776	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-17.1	177.9	-146.1	-88.6	0	0	0	113.4	Q128 S130	Q128-F132 PolarHBondContact O-N 2.75Å; S130-F132 VanDerWaalsContact C-N 3.29Å; S130-F132 PolarHBondContact O-N 3.47Å
133	R	62.1	Low	64.9	Low	225 Å²	225	122.1 Å²	122.1	85%	0.849	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-17.8	179	-124.8	-178.3	-174.4	-175	1.7	113.7	S130 V131	S130-R133 PolarHBondContact O-N 3.12Å; S130-R133 VanDerWaalsContact O-N 3.12Å; V131-R133 VanDerWaalsContact C-N 3.29Å; V131-R133 PolarHBondContact O-N 3.18Å
134	D	66	Low	64.2	Low	149 Å²	149	122.8 Å²	122.8	80%	0.797	64%	0.643	S	S	*	*			trans	-94.1	5.7	-178.8	-73.8	-26.1	0	0	0	113.7
135	K	54.9	Low	63	Low	245 Å²	245	124 Å²	124	100%	1.065	65%	0.648	S	S	*	*			trans	-110	0	171.3	-87.2	-172	175.4	-178.7	0	111.4

Retrieved 135 of 135 residues in 82.1 ms (Link to these results)

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