A0A077Z4J9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z4J9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 231 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	70.6	Confident	83.9	Confident	133 Å²	133	63.2 Å²	63.2	66%	0.655	37%	0.367	S	S	*	.				0	132.6	0	-99	157.8	161.8	0	0	106.8	A22 A24	M1-A22 HydrophobicContact CB-CB 3.94Å; M1-A22 HydrophobicContact CG-CB 4.41Å; M1-A24 HydrophobicContact CE-CB 3.02Å
2	V	81.3	Confident	83.7	Confident	101 Å²	101	68.3 Å²	68.3	61%	0.612	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-95.6	132.4	178.1	-175.7	0	0	0	0	107.8	P54	V2-P54 HydrophobicContact CG1-CB 4.43Å; V2-P54 HydrophobicContact CG1-CG 4.01Å
3	T	85.7	Confident	83.6	Confident	88 Å²	88	66.7 Å²	66.7	54%	0.54	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-74.2	129	175.6	-51	0	0	0	0	108.9	Q20	T3-Q20 HydrophobicContact CG2-CG 4.33Å
4	G	86.7	Confident	83.2	Confident	3 Å²	3	69.6 Å²	69.6	3%	0.031	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	164	170.9	0	0	0	0	0	111.8	G21	G4-G21 PolarHBondContact N-O 3.01Å; G4-G21 PolarHBondContact O-N 2.62Å
5	H	89.8	Confident	82.8	Confident	107 Å²	107	67.5 Å²	67.5	50%	0.495	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	117.3	174	-140.2	-66.4	0	0	0	107.4	Q20	H5-Q20 VanDerWaalsContact CD2-CG 3.5Å; H5-Q20 WeakPolarHBondContact CD2-CG 3.23Å; H5-Q20 PolarHBondContact NE2-OE1 3.15Å
6	W	88.2	Confident	82.6	Confident	5 Å²	5	63.8 Å²	63.8	2%	0.019	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.4	-177.5	-53.3	-81.5	0	0	0	108	L19 G21 I23 L52 V58 M66 I68	W6-L19 HydrophobicContact CB-CB 4.37Å; W6-L19 HydrophobicContact CE3-CB 4.24Å; W6-L19 HydrophobicContact CE3-CD2 3.59Å; W6-L19 HydrophobicContact CE3-CG 4.42Å; W6-L19 HydrophobicContact CZ3-CD2 3.92Å; W6-L19 PolarHBondContact N-O 3.28Å; W6-L19 PolarHBondContact O-N 2.85Å; W6-G21 WeakPolarHBondContact CH2-O 3.16Å; W6-G21 WeakPolarHBondContact CZ3-O 3.33Å; W6-I23 HydrophobicContact CH2-CD1 4.45Å; W6-I23 HydrophobicContact CZ3-CD1 4.21Å; W6-L52 HydrophobicContact CH2-CD2 3.8Å; W6-L52 HydrophobicContact CH2-CG 4.4Å; W6-L52 HydrophobicContact CZ2-CB 4.48Å; W6-L52 HydrophobicContact CZ2-CD2 3.56Å; W6-L52 HydrophobicContact CZ2-CG 3.88Å; W6-L52 HydrophobicContact CZ3-CD2 4.44Å; W6-V58 HydrophobicContact CB-CG2 4.05Å; W6-M66 HydrophobicContact CB-CE 3.44Å; W6-M66 VanDerWaalsContact CB-CE 3.44Å; W6-I68 HydrophobicContact CB-CD1 4.18Å; W6-I68 HydrophobicContact CD2-CD1 4.13Å; W6-I68 HydrophobicContact CG-CD1 3.98Å
7	S	87.7	Confident	82.6	Confident	51 Å²	51	60.2 Å²	60.2	36%	0.357	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136	178.3	61.7	0	0	0	0	110.5	N9 I17	S7-N9 PolarHBondContact OG-OD1 3.45Å; S7-I17 CarbonylContact C-O 3.5Å; S7-I17 VanDerWaalsContact CA-O 3.28Å; S7-I17 WeakPolarHBondContact CA-O 3.22Å
8	L	84.7	Confident	82.6	Confident	7 Å²	7	64.8 Å²	64.8	4%	0.037	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.2	164.6	-167.5	69.5	0	0	0	109.2	P15 C16 I17 V58 T60 E61	L8-P15 CarbonylContact O-C 3.54Å; L8-P15 WeakPolarHBondContact O-CA 3.44Å; L8-C16 PolarHBondContact O-N 3.41Å; L8-I17 HydrophobicContact CB-CB 4.01Å; L8-I17 HydrophobicContact CD2-CD1 4.06Å; L8-I17 PolarHBondContact N-O 3.26Å; L8-I17 PolarHBondContact O-N 2.83Å; L8-V58 HydrophobicContact CB-CG1 4.48Å; L8-V58 HydrophobicContact CD1-CG1 3.43Å; L8-V58 VanDerWaalsContact CD1-CG1 3.43Å; L8-T60 WeakPolarHBondContact CD1-O 3.35Å; L8-E61 HydrophobicContact CD1-CB 4.48Å; L8-E61 HydrophobicContact CD1-CG 4.07Å
9	N	84.7	Confident	82.6	Confident	64 Å²	64	61.6 Å²	61.6	34%	0.342	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	144.3	-179.2	-59.5	-7.7	0	0	0	109.7	S7 I14 P15	S7-N9 PolarHBondContact OG-OD1 3.45Å; N9-I14 CarbonylContact C-O 3.53Å; N9-I14 WeakPolarHBondContact CA-O 3.34Å; N9-P15 WeakPolarHBondContact OD1-CA 3.28Å; N9-P15 WeakPolarHBondContact OD1-CB 3.44Å
10	S	80.8	Confident	82.6	Confident	26 Å²	26	62.9 Å²	62.9	18%	0.182	35%	0.351	C	S	.	.			trans	-64.4	167.1	166.3	-173.7	0	0	0	0	110.5	D12 G13 I14	S10-D12 PolarHBondContact O-N 2.85Å; S10-D12 VanDerWaalsContact O-N 3.08Å; S10-G13 PolarHBondContact O-N 3.24Å; S10-I14 PolarHBondContact N-O 3.09Å
11	S	82.6	Confident	82.6	Confident	110 Å²	110	60.3 Å²	60.3	77%	0.769	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-28.7	170	53	0	0	0	0	113.1	G13	S11-G13 PolarHBondContact O-N 2.81Å
12	D	82.2	Confident	83.2	Confident	124 Å²	124	54.6 Å²	54.6	66%	0.663	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	4.7	179.5	-49.4	-40	0	0	0	113	S10 I14	S10-D12 PolarHBondContact O-N 2.85Å; S10-D12 VanDerWaalsContact O-N 3.08Å; D12-I14 HydrophobicContact CB-CD1 4.41Å; D12-I14 HydrophobicContact CB-CG1 4.35Å; D12-I14 PolarHBondContact O-N 3.39Å
13	G	82.2	Confident	83.4	Confident	48 Å²	48	50 Å²	50	50%	0.495	29%	0.285	S	S	.	.	S	Bend	trans	77.4	2.3	-177.5	0	0	0	0	0	114.6	S10 S11	S10-G13 PolarHBondContact O-N 3.24Å; S11-G13 PolarHBondContact O-N 2.81Å
14	I	78.1	Confident	83.4	Confident	108 Å²	108	46.2 Å²	46.2	55%	0.554	26%	0.263	S	S	*	.			trans	-78.5	124.4	178.9	-57.6	174.9	0	0	0	109.3	N9 S10 D12 C16	N9-I14 CarbonylContact C-O 3.53Å; N9-I14 WeakPolarHBondContact CA-O 3.34Å; S10-I14 PolarHBondContact N-O 3.09Å; D12-I14 HydrophobicContact CB-CD1 4.41Å; D12-I14 HydrophobicContact CB-CG1 4.35Å; D12-I14 PolarHBondContact O-N 3.39Å; I14-C16 PolarHBondContact O-N 3.4Å
15	P	76.3	Confident	83.3	Confident	38 Å²	38	46.2 Å²	46.2	25%	0.247	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	120.1	178.6	25.3	-29	0	0	0	111.1	L8 N9 R18	L8-P15 CarbonylContact O-C 3.54Å; L8-P15 WeakPolarHBondContact O-CA 3.44Å; N9-P15 WeakPolarHBondContact OD1-CA 3.28Å; N9-P15 WeakPolarHBondContact OD1-CB 3.44Å; P15-R18 HydrophobicContact CB-CG 4.17Å; P15-R18 VanDerWaalsContact CG-CZ 3.45Å
16	C	80.5	Confident	83.1	Confident	7 Å²	7	44.4 Å²	44.4	5%	0.047	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-45.8	178.3	-61.2	0	0	0	0	113.4	L8 I14 C161	L8-C16 PolarHBondContact O-N 3.41Å; I14-C16 PolarHBondContact O-N 3.4Å; C16-C161 HydrophobicContact CB-CB 3.99Å; C16-C161 WeakPolarHBondContact CB-SG 3.47Å; C16-C161 VanDerWaalsContact SG-CA 3.6Å; C16-C161 WeakPolarHBondContact SG-CB 3.43Å; C16-C161 CovalentContact SG-SG 2.01Å; C16-C161 PolarHBondContact SG-SG 3.33Å
17	I	81.8	Confident	82.9	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.015	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.6	179.7	-59.2	172.2	0	0	0	106.6	S7 L8 M66 F80 V158	S7-I17 CarbonylContact C-O 3.5Å; S7-I17 VanDerWaalsContact CA-O 3.28Å; S7-I17 WeakPolarHBondContact CA-O 3.22Å; L8-I17 HydrophobicContact CB-CB 4.01Å; L8-I17 HydrophobicContact CD2-CD1 4.06Å; L8-I17 PolarHBondContact N-O 3.26Å; L8-I17 PolarHBondContact O-N 2.83Å; I17-M66 HydrophobicContact CD1-CB 4.36Å; I17-M66 HydrophobicContact CG2-CB 4.5Å; I17-M66 HydrophobicContact CG2-SD 3.7Å; I17-F80 HydrophobicContact CD1-CD2 3.82Å; I17-F80 HydrophobicContact CD1-CE2 3.82Å; I17-F80 HydrophobicContact CG2-CE2 3.97Å; I17-F80 HydrophobicContact CG2-CZ 3.83Å; I17-V158 HydrophobicContact CG1-CG1 4.39Å
18	R	82.3	Confident	82.8	Confident	144 Å²	144	43.7 Å²	43.7	54%	0.543	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.4	173.9	-71.9	176.5	171.1	158.9	-7.4	108.7	P15	P15-R18 HydrophobicContact CB-CG 4.17Å; P15-R18 VanDerWaalsContact CG-CZ 3.45Å
19	L	83.2	Confident	82.8	Confident	4 Å²	4	44 Å²	44	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	112.8	174.9	-154.2	107.3	0	0	0	108	W6 I23 M66 I68 F78 L154	W6-L19 HydrophobicContact CB-CB 4.37Å; W6-L19 HydrophobicContact CE3-CB 4.24Å; W6-L19 HydrophobicContact CE3-CD2 3.59Å; W6-L19 HydrophobicContact CE3-CG 4.42Å; W6-L19 HydrophobicContact CZ3-CD2 3.92Å; W6-L19 PolarHBondContact N-O 3.28Å; W6-L19 PolarHBondContact O-N 2.85Å; L19-I23 HydrophobicContact CD2-CD1 3.57Å; L19-M66 HydrophobicContact CB-CE 4.12Å; L19-M66 HydrophobicContact CB-SD 4.16Å; L19-I68 HydrophobicContact CD2-CD1 4.19Å; L19-F78 HydrophobicContact CD1-CE2 4.49Å; L19-F78 HydrophobicContact CD1-CZ 4.41Å; L19-F78 HydrophobicContact CD2-CE2 4.33Å; L19-F78 HydrophobicContact CD2-CZ 4.28Å; L19-L154 HydrophobicContact CD1-CD2 3.68Å; L19-L154 HydrophobicContact CG-CD2 3.71Å
20	Q	82.6	Confident	82.8	Confident	86 Å²	86	42.3 Å²	42.3	40%	0.402	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.8	173.8	-175.4	173.4	4.3	0	0	108.8	T3 H5	T3-Q20 HydrophobicContact CG2-CG 4.33Å; H5-Q20 VanDerWaalsContact CD2-CG 3.5Å; H5-Q20 WeakPolarHBondContact CD2-CG 3.23Å; H5-Q20 PolarHBondContact NE2-OE1 3.15Å
21	G	82.4	Confident	83	Confident	9 Å²	9	41.9 Å²	41.9	9%	0.093	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.2	179.9	-179	0	0	0	0	0	113.3	G4 W6	G4-G21 PolarHBondContact N-O 3.01Å; G4-G21 PolarHBondContact O-N 2.62Å; W6-G21 WeakPolarHBondContact CH2-O 3.16Å; W6-G21 WeakPolarHBondContact CZ3-O 3.33Å
22	A	82.9	Confident	83	Confident	14 Å²	14	37.6 Å²	37.6	12%	0.116	21%	0.206	C	C	.	.			trans	-111.4	124.8	168.7	0	0	0	0	0	108.6	M1	M1-A22 HydrophobicContact CB-CB 3.94Å; M1-A22 HydrophobicContact CG-CB 4.41Å
23	I	85.8	Confident	82.9	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.026	20%	0.203	C	C	.	.			trans	-112.1	131.1	179.1	-61.2	165.3	0	0	0	108.3	W6 L19 F25 L52 L76 F78 V150 F152	W6-I23 HydrophobicContact CH2-CD1 4.45Å; W6-I23 HydrophobicContact CZ3-CD1 4.21Å; L19-I23 HydrophobicContact CD2-CD1 3.57Å; I23-F25 HydrophobicContact CG2-CE1 3.83Å; I23-F25 HydrophobicContact CG2-CE2 3.97Å; I23-F25 HydrophobicContact CG2-CZ 3.44Å; I23-F25 VanDerWaalsContact CG2-CZ 3.44Å; I23-L52 HydrophobicContact CB-CB 3.95Å; I23-L52 HydrophobicContact CB-CD2 4.1Å; I23-L52 HydrophobicContact CD1-CD2 3.63Å; I23-L52 HydrophobicContact CG1-CD2 4.39Å; I23-L52 HydrophobicContact CG2-CB 4.4Å; I23-L52 PolarHBondContact O-N 2.86Å; I23-L76 HydrophobicContact CD1-CD2 4.04Å; I23-L76 HydrophobicContact CG2-CD2 4.31Å; I23-F78 HydrophobicContact CD1-CZ 4.05Å; I23-V150 HydrophobicContact CG2-CG1 4.28Å; I23-F152 HydrophobicContact CD1-CD1 4.41Å; I23-F152 HydrophobicContact CD1-CE1 4.03Å; I23-F152 HydrophobicContact CG1-CD1 4.18Å; I23-F152 HydrophobicContact CG1-CE1 4.1Å
24	A	86.4	Confident	82.3	Confident	8 Å²	8	40.7 Å²	40.7	7%	0.066	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	158.6	161.7	0	0	0	0	0	111.8	M1 I50 N51	M1-A24 HydrophobicContact CE-CB 3.02Å; A24-I50 CarbonylContact C-O 3.56Å; A24-I50 WeakPolarHBondContact CA-O 3.33Å; A24-I50 VanDerWaalsContact CB-O 3.27Å; A24-I50 WeakPolarHBondContact CB-O 3.43Å; A24-N51 VanDerWaalsContact CB-OD1 3.25Å; A24-N51 WeakPolarHBondContact CB-OD1 3.26Å
25	F	84.4	Confident	82	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.009	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.9	179.7	-46.3	-77.8	0	0	0	108.1	I23 V27 K49 I50 F70 L76 L102 V148 V150	I23-F25 HydrophobicContact CG2-CE1 3.83Å; I23-F25 HydrophobicContact CG2-CE2 3.97Å; I23-F25 HydrophobicContact CG2-CZ 3.44Å; I23-F25 VanDerWaalsContact CG2-CZ 3.44Å; F25-V27 HydrophobicContact CB-CG2 4.17Å; F25-K49 WeakPolarHBondContact O-CA 3.38Å; F25-I50 HydrophobicContact CB-CB 4.36Å; F25-I50 HydrophobicContact CD2-CB 4.13Å; F25-I50 HydrophobicContact CD2-CG2 4.05Å; F25-I50 PolarHBondContact N-O 2.72Å; F25-I50 PolarHBondContact O-N 2.88Å; F25-F70 HydrophobicContact CE2-CZ 4.12Å; F25-L76 HydrophobicContact CE1-CD1 3.84Å; F25-L76 HydrophobicContact CE1-CD2 4.43Å; F25-L76 HydrophobicContact CZ-CD1 3.75Å; F25-L76 HydrophobicContact CZ-CD2 3.76Å; F25-L76 HydrophobicContact CZ-CG 4.26Å; F25-L102 HydrophobicContact CB-CD2 4.37Å; F25-L102 HydrophobicContact CD1-CD2 3.73Å; F25-L102 HydrophobicContact CD2-CD2 4.31Å; F25-L102 HydrophobicContact CE1-CD1 4.38Å; F25-L102 HydrophobicContact CE1-CD2 4.07Å; F25-L102 HydrophobicContact CE2-CD1 4.25Å; F25-L102 HydrophobicContact CG-CD2 3.85Å; F25-L102 HydrophobicContact CZ-CD1 4.11Å; F25-L102 HydrophobicContact CZ-CD2 4.49Å; F25-V148 HydrophobicContact CB-CG1 4.39Å; F25-V148 HydrophobicContact CD1-CG1 4.38Å; F25-V150 HydrophobicContact CD1-CG1 4.42Å; F25-V150 HydrophobicContact CD1-CG2 4.06Å; F25-V150 HydrophobicContact CE1-CG1 4.11Å; F25-V150 HydrophobicContact CE1-CG2 4.25Å
26	N	84.5	Confident	81.7	Confident	70 Å²	70	47.8 Å²	47.8	37%	0.374	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	110.6	163.9	-168.2	2	0	0	0	107.6	V148	N26-V148 WeakPolarHBondContact O-CA 2.77Å
27	V	85.3	Confident	81.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.1	-176.1	180	0	0	0	0	108.4	F25 S47 A48 I50 F104 F111 V148	F25-V27 HydrophobicContact CB-CG2 4.17Å; V27-S47 CarbonylContact O-C 3.51Å; V27-S47 WeakPolarHBondContact O-CA 3.15Å; V27-A48 PolarHBondContact N-O 3.3Å; V27-A48 PolarHBondContact O-N 3.23Å; V27-I50 HydrophobicContact CG2-CD1 4.07Å; V27-F104 HydrophobicContact CG1-CE1 4.43Å; V27-F104 HydrophobicContact CG1-CE2 4.27Å; V27-F104 HydrophobicContact CG1-CZ 3.66Å; V27-F104 HydrophobicContact CG2-CE1 4.42Å; V27-F104 HydrophobicContact CG2-CZ 4.34Å; V27-F111 HydrophobicContact CB-CE1 4.2Å; V27-F111 HydrophobicContact CG1-CE1 3.96Å; V27-F111 HydrophobicContact CG1-CZ 4.46Å; V27-V148 HydrophobicContact CG2-CG2 4.34Å
28	T	84.9	Confident	79.8	Confident	41 Å²	41	64.6 Å²	64.6	25%	0.252	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.3	169.9	54.8	0	0	0	0	110.5	A46 R145 S146	T28-A46 CarbonylContact C-O 3.55Å; T28-A46 VanDerWaalsContact CA-O 3.22Å; T28-A46 WeakPolarHBondContact CA-O 3.49Å; T28-R145 PolarHBondContact OG1-O 3.04Å; T28-S146 PolarHBondContact N-OG 2.01Å; T28-S146 WeakPolarHBondContact O-CB 3.09Å; T28-S146 PolarHBondContact O-OG 3.33Å; T28-S146 VanDerWaalsContact OG1-CA 3.28Å; T28-S146 WeakPolarHBondContact OG1-CA 3.45Å; T28-S146 PolarHBondContact OG1-OG 2.75Å; T28-S146 VanDerWaalsContact OG1-OG 3.05Å
29	Y	84.6	Confident	79.1	Confident	13 Å²	13	67.7 Å²	67.7	5%	0.051	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	158.4	-177.1	64.6	-78	0	0	0	110.8	T31 A46 A48 Y106 F111 P112 A114	Y29-T31 HydrophobicContact CD2-CG2 3.94Å; Y29-T31 HydrophobicContact CE2-CG2 3.44Å; Y29-T31 VanDerWaalsContact CE2-CG2 3.44Å; Y29-A46 HydrophobicContact CD1-CB 4.29Å; Y29-A46 HydrophobicContact CD2-CB 4.49Å; Y29-A46 HydrophobicContact CE1-CB 3.75Å; Y29-A46 HydrophobicContact CE2-CB 4Å; Y29-A46 PolarHBondContact N-O 2.71Å; Y29-A46 PolarHBondContact O-N 3.28Å; Y29-A48 HydrophobicContact CD1-CB 4.41Å; Y29-A48 HydrophobicContact CE1-CB 3.78Å; Y29-Y106 HydrophobicContact CG-CE1 4.35Å; Y29-F111 AromaticContact CD1-CD1 3.6Å; Y29-F111 HydrophobicContact CD1-CD1 3.6Å; Y29-F111 HydrophobicContact CD1-CE1 4.07Å; Y29-F111 HydrophobicContact CD2-CB 4.47Å; Y29-F111 HydrophobicContact CD2-CD1 4.25Å; Y29-F111 AromaticContact CE1-CD1 3.61Å; Y29-F111 HydrophobicContact CE1-CD1 3.61Å; Y29-F111 HydrophobicContact CE1-CE1 4.3Å; Y29-F111 HydrophobicContact CE2-CB 4.03Å; Y29-F111 HydrophobicContact CE2-CD1 4.22Å; Y29-F111 AromaticContact CG-CD1 3.94Å; Y29-F111 HydrophobicContact CG-CD1 3.94Å; Y29-F111 AromaticContact CZ-CD1 3.93Å; Y29-P112 WeakPolarHBondContact OH-CD 3.36Å; Y29-A114 HydrophobicContact CD2-CB 4.04Å; Y29-A114 HydrophobicContact CE2-CB 4.24Å
30	E	84.5	Confident	77.9	Confident	28 Å²	28	76.1 Å²	76.1	13%	0.131	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132	176	-64.9	-178.6	171.8	0	0	110.5	H44 R115 F144	E30-H44 WeakPolarHBondContact CA-O 3.48Å; E30-R115 HydrophobicContact CB-CB 4.44Å; E30-R115 PolarHBondContact O-N 2.76Å; E30-R115 IonicContact OE2-CZ 3.99Å; E30-R115 IonicContact OE2-NH1 3.17Å; E30-R115 PolarHBondContact OE2-NH1 2.93Å; E30-F144 HydrophobicContact CB-CE1 3.64Å; E30-F144 HydrophobicContact CB-CZ 4.18Å; E30-F144 HydrophobicContact CG-CD1 4.02Å; E30-F144 HydrophobicContact CG-CE1 3.55Å; E30-F144 HydrophobicContact CG-CZ 4.21Å
31	T	86	Confident	77.2	Confident	18 Å²	18	80.5 Å²	80.5	11%	0.11	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	146.8	170.5	58.9	0	0	0	0	110.6	Y29 H44 A46 S113	Y29-T31 HydrophobicContact CD2-CG2 3.94Å; Y29-T31 HydrophobicContact CE2-CG2 3.44Å; Y29-T31 VanDerWaalsContact CE2-CG2 3.44Å; T31-H44 PolarHBondContact N-O 3.49Å; T31-H44 PolarHBondContact O-N 2.99Å; T31-H44 PolarHBondContact OG1-O 2.92Å; T31-A46 HydrophobicContact CG2-CB 3.62Å; T31-S113 VanDerWaalsContact CA-O 3.23Å; T31-S113 WeakPolarHBondContact CA-O 3.43Å
32	V	82.9	Confident	76.7	Confident	20 Å²	20	84 Å²	84	12%	0.121	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	107.9	168	-173	0	0	0	0	107.1	R41 M43 S113 R115	V32-R41 HydrophobicContact CG1-CB 3.99Å; V32-R41 HydrophobicContact CG1-CG 3.79Å; V32-M43 HydrophobicContact CG2-CE 4.2Å; V32-M43 HydrophobicContact CG2-SD 3.93Å; V32-S113 PolarHBondContact N-O 3.08Å; V32-R115 HydrophobicContact CG2-CB 3.6Å; V32-R115 HydrophobicContact CG2-CG 3.51Å
33	E	80	Confident	76.4	Confident	125 Å²	125	87.1 Å²	87.1	58%	0.584	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.1	167.7	-162.3	167.1	-176.7	0	0	108.3	S35 I42	E33-S35 PolarHBondContact O-N 3.02Å; E33-I42 PolarHBondContact N-O 2.84Å
34	V	68.6	Low	76.3	Confident	111 Å²	111	91.1 Å²	91.1	67%	0.673	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	106.1	174	-175.6	0	0	0	0	106.4	R36	V34-R36 PolarHBondContact O-N 3.05Å
35	S	71.5	Confident	76.2	Confident	39 Å²	39	96.8 Å²	96.8	27%	0.273	44%	0.439	S	S	.	.			trans	-61.4	133.2	173	57.7	0	0	0	0	109	E33 F37 W38	E33-S35 PolarHBondContact O-N 3.02Å; S35-F37 WeakPolarHBondContact CB-O 3.15Å; S35-F37 PolarHBondContact O-N 3.31Å; S35-F37 VanDerWaalsContact O-N 3.09Å; S35-F37 PolarHBondContact OG-O 2.71Å; S35-W38 PolarHBondContact OG-O 3.18Å
36	R	69.8	Low	76.4	Confident	256 Å²	256	98 Å²	98	97%	0.966	45%	0.45	S	S	*	.	S	Bend	trans	-63.2	-13.7	175.7	-78.5	-172.8	-178.6	178.8	1.4	113.3	V34	V34-R36 PolarHBondContact O-N 3.05Å
37	F	68.1	Low	76.5	Confident	170 Å²	170	98.5 Å²	98.5	75%	0.746	46%	0.459	S	S	*	.	S	Bend	trans	-121.1	117.4	177.3	-115.6	-108.4	0	0	0	106.9	S35	S35-F37 WeakPolarHBondContact CB-O 3.15Å; S35-F37 PolarHBondContact O-N 3.31Å; S35-F37 VanDerWaalsContact O-N 3.09Å; S35-F37 PolarHBondContact OG-O 2.71Å
38	W	55.7	Low	76.6	Confident	193 Å²	193	99 Å²	99	73%	0.731	46%	0.463	S	S	*	.	S	Bend	trans	81.2	138.9	174	-64.3	88.8	0	0	0	119.5	S35 Y40	S35-W38 PolarHBondContact OG-O 3.18Å; W38-Y40 PolarHBondContact O-N 2.87Å
39	F	66.6	Low	76.8	Confident	210 Å²	210	103.7 Å²	103.7	92%	0.921	48%	0.48	S	S	*	.	S	Bend	trans	-61.7	17.2	-177.7	-78.2	-90.5	0	0	0	116.4
40	Y	59.4	Low	76.9	Confident	181 Å²	181	103.4 Å²	103.4	71%	0.71	48%	0.479	S	S	*	.			trans	-102.6	121.3	-179.2	-80.7	-87.2	0	0	0	110.6	W38 I42	W38-Y40 PolarHBondContact O-N 2.87Å; Y40-I42 PolarHBondContact O-N 3.03Å
41	R	66.5	Low	77.2	Confident	178 Å²	178	105.9 Å²	105.9	67%	0.672	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	115.9	170	-73.4	-179.3	-178.8	-146.1	2.6	108.2	V32	V32-R41 HydrophobicContact CG1-CB 3.99Å; V32-R41 HydrophobicContact CG1-CG 3.79Å
42	I	72	Confident	77.4	Confident	83 Å²	83	105.2 Å²	105.2	43%	0.426	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124	172.5	-46.6	178	0	0	0	107.4	E33 Y40 H44	E33-I42 PolarHBondContact N-O 2.84Å; Y40-I42 PolarHBondContact O-N 3.03Å; I42-H44 WeakPolarHBondContact CG2-CE1 3.36Å; I42-H44 WeakPolarHBondContact CG2-NE2 3.4Å
43	M	76.6	Confident	77.8	Confident	78 Å²	78	106 Å²	106	38%	0.384	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.2	175.4	-63	-68.2	179.3	0	0	108.2	V32 R115	V32-M43 HydrophobicContact CG2-CE 4.2Å; V32-M43 HydrophobicContact CG2-SD 3.93Å; M43-R115 VanDerWaalsContact CE-NE 3.31Å
44	H	83	Confident	78.3	Confident	89 Å²	89	103.1 Å²	103.1	41%	0.412	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.1	172.7	-64	-62.7	0	0	0	110	E30 T31 I42	E30-H44 WeakPolarHBondContact CA-O 3.48Å; T31-H44 PolarHBondContact N-O 3.49Å; T31-H44 PolarHBondContact O-N 2.99Å; T31-H44 PolarHBondContact OG1-O 2.92Å; I42-H44 WeakPolarHBondContact CG2-CE1 3.36Å; I42-H44 WeakPolarHBondContact CG2-NE2 3.4Å
45	N	85.7	Confident	79.4	Confident	128 Å²	128	103.4 Å²	103.4	68%	0.684	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.5	171.4	-69.7	-21.7	0	0	0	108.6
46	A	87.3	Confident	80.4	Confident	27 Å²	27	102 Å²	102	22%	0.223	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	160.7	169.4	0	0	0	0	0	109.9	T28 Y29 T31	T28-A46 CarbonylContact C-O 3.55Å; T28-A46 VanDerWaalsContact CA-O 3.22Å; T28-A46 WeakPolarHBondContact CA-O 3.49Å; Y29-A46 HydrophobicContact CD1-CB 4.29Å; Y29-A46 HydrophobicContact CD2-CB 4.49Å; Y29-A46 HydrophobicContact CE1-CB 3.75Å; Y29-A46 HydrophobicContact CE2-CB 4Å; Y29-A46 PolarHBondContact N-O 2.71Å; Y29-A46 PolarHBondContact O-N 3.28Å; T31-A46 HydrophobicContact CG2-CB 3.62Å
47	S	87.2	Confident	81.5	Confident	81 Å²	81	94.2 Å²	94.2	57%	0.566	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.3	174	58.9	0	0	0	0	110.1	V27	V27-S47 CarbonylContact O-C 3.51Å; V27-S47 WeakPolarHBondContact O-CA 3.15Å
48	A	87.7	Confident	82.6	Confident	11 Å²	11	88 Å²	88	9%	0.091	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.9	172.2	0	0	0	0	0	109.8	V27 Y29 F111	V27-A48 PolarHBondContact N-O 3.3Å; V27-A48 PolarHBondContact O-N 3.23Å; Y29-A48 HydrophobicContact CD1-CB 4.41Å; Y29-A48 HydrophobicContact CE1-CB 3.78Å; A48-F111 HydrophobicContact CB-CD1 3.93Å; A48-F111 HydrophobicContact CB-CE1 3.72Å; A48-F111 HydrophobicContact CB-CZ 4.48Å
49	K	88.5	Confident	84.2	Confident	139 Å²	139	83.9 Å²	83.9	60%	0.604	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.2	172.4	-172.1	174.6	-178.2	174.1	0	109.3	F25	F25-K49 WeakPolarHBondContact O-CA 3.38Å
50	I	88.4	Confident	84.9	Confident	6 Å²	6	75.7 Å²	75.7	3%	0.031	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122	178.5	-61.5	163.7	0	0	0	107.6	A24 F25 V27 F70 W74 F111	A24-I50 CarbonylContact C-O 3.56Å; A24-I50 WeakPolarHBondContact CA-O 3.33Å; A24-I50 VanDerWaalsContact CB-O 3.27Å; A24-I50 WeakPolarHBondContact CB-O 3.43Å; F25-I50 HydrophobicContact CB-CB 4.36Å; F25-I50 HydrophobicContact CD2-CB 4.13Å; F25-I50 HydrophobicContact CD2-CG2 4.05Å; F25-I50 PolarHBondContact N-O 2.72Å; F25-I50 PolarHBondContact O-N 2.88Å; V27-I50 HydrophobicContact CG2-CD1 4.07Å; I50-F70 HydrophobicContact CG2-CE2 4.03Å; I50-W74 HydrophobicContact CD1-CH2 4.07Å; I50-W74 HydrophobicContact CD1-CZ3 3.67Å; I50-W74 HydrophobicContact CG1-CH2 4.48Å; I50-W74 HydrophobicContact CG1-CZ3 4.02Å; I50-W74 HydrophobicContact CG2-CE3 4.24Å; I50-W74 HydrophobicContact CG2-CZ3 3.68Å; I50-F111 HydrophobicContact CD1-CE1 4.41Å; I50-F111 HydrophobicContact CD1-CE2 4.12Å; I50-F111 HydrophobicContact CD1-CZ 3.5Å; I50-F111 HydrophobicContact CG1-CZ 4.46Å
51	N	89.4	Confident	85.3	Confident	80 Å²	80	74.5 Å²	74.5	43%	0.428	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.6	173.3	-54.4	-62	0	0	0	108.8	A24 P53	A24-N51 VanDerWaalsContact CB-OD1 3.25Å; A24-N51 WeakPolarHBondContact CB-OD1 3.26Å; N51-P53 WeakPolarHBondContact O-CD 3.17Å
52	L	89.9	Confident	85.8	Confident	4 Å²	4	71.9 Å²	71.9	2%	0.021	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-70.7	119.1	171.5	-169.2	68.2	0	0	0	108.2	W6 I23 A56 I68 F70 L76	W6-L52 HydrophobicContact CH2-CD2 3.8Å; W6-L52 HydrophobicContact CH2-CG 4.4Å; W6-L52 HydrophobicContact CZ2-CB 4.48Å; W6-L52 HydrophobicContact CZ2-CD2 3.56Å; W6-L52 HydrophobicContact CZ2-CG 3.88Å; W6-L52 HydrophobicContact CZ3-CD2 4.44Å; I23-L52 HydrophobicContact CB-CB 3.95Å; I23-L52 HydrophobicContact CB-CD2 4.1Å; I23-L52 HydrophobicContact CD1-CD2 3.63Å; I23-L52 HydrophobicContact CG1-CD2 4.39Å; I23-L52 HydrophobicContact CG2-CB 4.4Å; I23-L52 PolarHBondContact O-N 2.86Å; L52-A56 HydrophobicContact CD1-CB 4.1Å; L52-A56 HydrophobicContact CG-CB 4.26Å; L52-I68 HydrophobicContact CD1-CG2 4.18Å; L52-I68 HydrophobicContact CD2-CD1 4.2Å; L52-I68 HydrophobicContact CD2-CG2 4.2Å; L52-F70 HydrophobicContact CD1-CB 4.16Å; L52-F70 HydrophobicContact CD1-CD1 3.3Å; L52-F70 HydrophobicContact CD1-CD2 3.98Å; L52-F70 HydrophobicContact CD1-CE1 3.51Å; L52-F70 HydrophobicContact CD1-CE2 4.1Å; L52-F70 HydrophobicContact CD1-CG 3.58Å; L52-F70 HydrophobicContact CD1-CZ 3.91Å; L52-L76 HydrophobicContact CD2-CD2 4.16Å
53	P	92.2	Very high	85.7	Confident	37 Å²	37	69.3 Å²	69.3	24%	0.24	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-70	148.2	-178.8	28.5	-33	0	0	0	110.2	N51 T55 A56 F70	N51-P53 WeakPolarHBondContact O-CD 3.17Å; P53-T55 PolarHBondContact O-N 3.17Å; P53-T55 VanDerWaalsContact O-N 3.16Å; P53-A56 HydrophobicContact CG-CB 4.28Å; P53-A56 VanDerWaalsContact O-CB 3.28Å; P53-A56 WeakPolarHBondContact O-CB 3.45Å; P53-A56 PolarHBondContact O-N 3.35Å; P53-A56 VanDerWaalsContact O-N 3.08Å; P53-F70 HydrophobicContact CG-CB 3.98Å
54	P	89.9	Confident	86	Confident	64 Å²	64	69 Å²	69	42%	0.416	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.3	175.4	28.5	-35.8	0	0	0	112.3	V2 A56	V2-P54 HydrophobicContact CG1-CB 4.43Å; V2-P54 HydrophobicContact CG1-CG 4.01Å; P54-A56 VanDerWaalsContact C-N 3.27Å; P54-A56 PolarHBondContact O-N 2.88Å
55	T	91.7	Very high	86.3	Confident	117 Å²	117	66.1 Å²	66.1	72%	0.718	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	5	176	59.2	0	0	0	0	113.7	P53	P53-T55 PolarHBondContact O-N 3.17Å; P53-T55 VanDerWaalsContact O-N 3.16Å
56	A	92.4	Very high	86.4	Confident	11 Å²	11	60 Å²	60	9%	0.091	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-63.5	140.5	177.2	0	0	0	0	0	110.9	L52 P53 P54 I68 G69 F70	L52-A56 HydrophobicContact CD1-CB 4.1Å; L52-A56 HydrophobicContact CG-CB 4.26Å; P53-A56 HydrophobicContact CG-CB 4.28Å; P53-A56 VanDerWaalsContact O-CB 3.28Å; P53-A56 WeakPolarHBondContact O-CB 3.45Å; P53-A56 PolarHBondContact O-N 3.35Å; P53-A56 VanDerWaalsContact O-N 3.08Å; P54-A56 VanDerWaalsContact C-N 3.27Å; P54-A56 PolarHBondContact O-N 2.88Å; A56-I68 HydrophobicContact CB-CG2 3.43Å; A56-I68 VanDerWaalsContact CB-CG2 3.43Å; A56-G69 CarbonylContact C-O 3.54Å; A56-G69 WeakPolarHBondContact CA-O 3.27Å; A56-G69 WeakPolarHBondContact CB-O 3.25Å; A56-F70 HydrophobicContact CB-CB 3.93Å
57	V	93	Very high	86.7	Confident	92 Å²	92	59 Å²	59	56%	0.558	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	139.6	-171.4	-176.7	0	0	0	0	109.6	I68 G69	V57-I68 CarbonylContact O-C 3.52Å; V57-I68 WeakPolarHBondContact O-CA 3.26Å; V57-G69 PolarHBondContact N-O 3.08Å; V57-G69 PolarHBondContact O-N 2.81Å
58	V	91.8	Very high	87.1	Confident	40 Å²	40	55.2 Å²	55.2	24%	0.242	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	125.9	173.3	-173.5	0	0	0	0	108.8	W6 L8 M66 T67	W6-V58 HydrophobicContact CB-CG2 4.05Å; L8-V58 HydrophobicContact CB-CG1 4.48Å; L8-V58 HydrophobicContact CD1-CG1 3.43Å; L8-V58 VanDerWaalsContact CD1-CG1 3.43Å; V58-M66 HydrophobicContact CG1-CE 4.35Å; V58-M66 HydrophobicContact CG1-CG 4.23Å; V58-M66 HydrophobicContact CG2-CE 3.74Å; V58-T67 CarbonylContact C-O 3.56Å; V58-T67 WeakPolarHBondContact CA-O 3.2Å
59	L	90.1	Very high	87.4	Confident	106 Å²	106	55.2 Å²	55.2	56%	0.555	30%	0.299	S	S	*	.			trans	-104.2	-26.1	-170	-63.7	177.7	0	0	0	114.8	T67	L59-T67 HydrophobicContact CB-CG2 4.36Å; L59-T67 HydrophobicContact CD1-CG2 4.23Å; L59-T67 PolarHBondContact N-O 2.8Å
60	T	80.7	Confident	87.7	Confident	38 Å²	38	49.2 Å²	49.2	23%	0.233	27%	0.273	C	S	.	.			trans	-126.4	134.1	-171	62.3	0	0	0	0	112.2	L8 L65 T67	L8-T60 WeakPolarHBondContact CD1-O 3.35Å; T60-L65 PolarHBondContact OG1-O 3.16Å; T60-T67 HydrophobicContact CG2-CG2 4.47Å; T60-T67 WeakPolarHBondContact CG2-OG1 3.28Å; T60-T67 WeakPolarHBondContact OG1-CB 3.41Å; T60-T67 PolarHBondContact OG1-N 2.86Å; T60-T67 PolarHBondContact OG1-OG1 2.9Å
61	E	66.8	Low	87.6	Confident	156 Å²	156	52.6 Å²	52.6	73%	0.729	29%	0.289	S	S	*	.			trans	-105.2	16.2	-174.7	-65.5	-178.4	175.5	0	0	115.1	L8	L8-E61 HydrophobicContact CD1-CB 4.48Å; L8-E61 HydrophobicContact CD1-CG 4.07Å
62	E	76.8	Confident	87.2	Confident	123 Å²	123	56.7 Å²	56.7	58%	0.575	31%	0.311	S	S	*	.			trans	-72.6	135	172.1	-72.2	176.8	-160.7	0	0	110.1	H64 L65	E62-H64 PolarHBondContact O-N 2.89Å; E62-L65 HydrophobicContact CB-CB 4Å; E62-L65 PolarHBondContact O-N 3.02Å; E62-L65 WeakPolarHBondContact OE2-CD1 3.35Å
63	S	71	Confident	87.2	Confident	28 Å²	28	62.3 Å²	62.3	20%	0.196	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-15.3	-174.3	31.1	0	0	0	0	114.9	D164	S63-D164 WeakPolarHBondContact CB-OD2 3.43Å; S63-D164 PolarHBondContact OG-OD2 3.36Å
64	H	82.3	Confident	87.2	Confident	71 Å²	71	60.9 Å²	60.9	33%	0.329	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-5.1	-173.4	-44.5	-125.8	0	0	0	111.4	E62 F80 W95 D164	E62-H64 PolarHBondContact O-N 2.89Å; H64-F80 PolarHBondContact O-N 3.02Å; H64-W95 AromaticContact CE1-CH2 3.93Å; H64-W95 AromaticContact ND1-CH2 3.8Å; H64-W95 AromaticContact ND1-CZ3 3.73Å; H64-D164 IonicContact CD2-OD2 2.76Å; H64-D164 IonicContact CE1-OD2 3.25Å; H64-D164 IonicContact NE2-OD2 3.92Å; H64-D164 PolarHBondContact NE2-OD2 2.84Å
65	L	88.7	Confident	87.5	Confident	30 Å²	30	60.3 Å²	60.3	16%	0.157	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	107.3	-165.2	-86.8	155.7	0	0	0	110.9	T60 E62 K77 F78 H79	T60-L65 PolarHBondContact OG1-O 3.16Å; E62-L65 HydrophobicContact CB-CB 4Å; E62-L65 PolarHBondContact O-N 3.02Å; E62-L65 WeakPolarHBondContact OE2-CD1 3.35Å; L65-K77 HydrophobicContact CD2-CD 3.68Å; L65-K77 HydrophobicContact CD2-CG 3.83Å; L65-F78 WeakPolarHBondContact CA-O 3.26Å; L65-H79 HydrophobicContact CD2-CB 4.4Å
66	M	89.4	Confident	87.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.3	174.1	-172.8	-174.6	-171	0	0	109.9	W6 I17 L19 V58 I68 K77 F78 F80	W6-M66 HydrophobicContact CB-CE 3.44Å; W6-M66 VanDerWaalsContact CB-CE 3.44Å; I17-M66 HydrophobicContact CD1-CB 4.36Å; I17-M66 HydrophobicContact CG2-CB 4.5Å; I17-M66 HydrophobicContact CG2-SD 3.7Å; L19-M66 HydrophobicContact CB-CE 4.12Å; L19-M66 HydrophobicContact CB-SD 4.16Å; V58-M66 HydrophobicContact CG1-CE 4.35Å; V58-M66 HydrophobicContact CG1-CG 4.23Å; V58-M66 HydrophobicContact CG2-CE 3.74Å; M66-I68 HydrophobicContact CE-CD1 4.04Å; M66-I68 HydrophobicContact CE-CG1 4.1Å; M66-I68 HydrophobicContact CG-CG1 4.37Å; M66-I68 HydrophobicContact SD-CD1 4.45Å; M66-K77 CarbonylContact O-C 3.55Å; M66-K77 WeakPolarHBondContact O-CA 3.11Å; M66-F78 HydrophobicContact CB-CB 4.36Å; M66-F78 HydrophobicContact CB-CD2 4.49Å; M66-F78 PolarHBondContact N-O 3.25Å; M66-F78 PolarHBondContact O-N 3.11Å; M66-F80 HydrophobicContact CB-CE2 3.84Å
67	T	93.7	Very high	87.5	Confident	6 Å²	6	57.2 Å²	57.2	4%	0.037	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123	173.7	-49.9	0	0	0	0	109.8	V58 L59 T60 W75 L76 K77	V58-T67 CarbonylContact C-O 3.56Å; V58-T67 WeakPolarHBondContact CA-O 3.2Å; L59-T67 HydrophobicContact CB-CG2 4.36Å; L59-T67 HydrophobicContact CD1-CG2 4.23Å; L59-T67 PolarHBondContact N-O 2.8Å; T60-T67 HydrophobicContact CG2-CG2 4.47Å; T60-T67 WeakPolarHBondContact CG2-OG1 3.28Å; T60-T67 WeakPolarHBondContact OG1-CB 3.41Å; T60-T67 PolarHBondContact OG1-N 2.86Å; T60-T67 PolarHBondContact OG1-OG1 2.9Å; T67-W75 HydrophobicContact CG2-CB 3.98Å; T67-W75 HydrophobicContact CG2-CE3 4.46Å; T67-W75 HydrophobicContact CG2-CG 4.4Å; T67-L76 CarbonylContact C-O 3.49Å; T67-L76 WeakPolarHBondContact CA-O 3.18Å; T67-K77 HydrophobicContact CG2-CB 4.31Å; T67-K77 WeakPolarHBondContact OG1-CE 3.4Å
68	I	94	Very high	87.3	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	112.2	176	-54.5	-179.9	0	0	0	108.2	W6 L19 L52 A56 V57 M66 W75 L76 F78	W6-I68 HydrophobicContact CB-CD1 4.18Å; W6-I68 HydrophobicContact CD2-CD1 4.13Å; W6-I68 HydrophobicContact CG-CD1 3.98Å; L19-I68 HydrophobicContact CD2-CD1 4.19Å; L52-I68 HydrophobicContact CD1-CG2 4.18Å; L52-I68 HydrophobicContact CD2-CD1 4.2Å; L52-I68 HydrophobicContact CD2-CG2 4.2Å; A56-I68 HydrophobicContact CB-CG2 3.43Å; A56-I68 VanDerWaalsContact CB-CG2 3.43Å; V57-I68 CarbonylContact O-C 3.52Å; V57-I68 WeakPolarHBondContact O-CA 3.26Å; M66-I68 HydrophobicContact CE-CD1 4.04Å; M66-I68 HydrophobicContact CE-CG1 4.1Å; M66-I68 HydrophobicContact CG-CG1 4.37Å; M66-I68 HydrophobicContact SD-CD1 4.45Å; I68-W75 CarbonylContact O-C 3.53Å; I68-W75 WeakPolarHBondContact O-CA 3.07Å; I68-L76 HydrophobicContact CB-CB 4.49Å; I68-L76 PolarHBondContact N-O 2.81Å; I68-L76 PolarHBondContact O-N 3.19Å; I68-F78 HydrophobicContact CD1-CE2 3.84Å; I68-F78 HydrophobicContact CG1-CE2 4.42Å
69	G	94.6	Very high	87.1	Confident	12 Å²	12	53.7 Å²	53.7	12%	0.124	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.5	173.6	0	0	0	0	0	112	A56 V57 W74	A56-G69 CarbonylContact C-O 3.54Å; A56-G69 WeakPolarHBondContact CA-O 3.27Å; A56-G69 WeakPolarHBondContact CB-O 3.25Å; V57-G69 PolarHBondContact N-O 3.08Å; V57-G69 PolarHBondContact O-N 2.81Å; G69-W74 WeakPolarHBondContact CA-O 3.15Å
70	F	94	Very high	86.7	Confident	12 Å²	12	48.9 Å²	48.9	5%	0.053	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	156.1	175	59.6	-72.1	0	0	0	109.5	F25 I50 L52 P53 A56 W74 L76 L102	F25-F70 HydrophobicContact CE2-CZ 4.12Å; I50-F70 HydrophobicContact CG2-CE2 4.03Å; L52-F70 HydrophobicContact CD1-CB 4.16Å; L52-F70 HydrophobicContact CD1-CD1 3.3Å; L52-F70 HydrophobicContact CD1-CD2 3.98Å; L52-F70 HydrophobicContact CD1-CE1 3.51Å; L52-F70 HydrophobicContact CD1-CE2 4.1Å; L52-F70 HydrophobicContact CD1-CG 3.58Å; L52-F70 HydrophobicContact CD1-CZ 3.91Å; P53-F70 HydrophobicContact CG-CB 3.98Å; A56-F70 HydrophobicContact CB-CB 3.93Å; F70-W74 HydrophobicContact CD1-CB 4.31Å; F70-W74 HydrophobicContact CD2-CB 4.18Å; F70-W74 HydrophobicContact CD2-CE3 4.09Å; F70-W74 HydrophobicContact CE1-CB 4.17Å; F70-W74 HydrophobicContact CE2-CB 4.09Å; F70-W74 HydrophobicContact CE2-CD2 4.42Å; F70-W74 AromaticContact CE2-CE3 3.54Å; F70-W74 HydrophobicContact CE2-CE3 3.54Å; F70-W74 HydrophobicContact CE2-CZ3 4.35Å; F70-W74 HydrophobicContact CG-CB 4.3Å; F70-W74 HydrophobicContact CZ-CB 4.06Å; F70-W74 HydrophobicContact CZ-CE3 4.21Å; F70-W74 PolarHBondContact N-O 2.85Å; F70-W74 CarbonylContact O-C 3.51Å; F70-W74 VanDerWaalsContact O-CA 3.31Å; F70-W74 WeakPolarHBondContact O-CA 3.27Å; F70-W74 WeakPolarHBondContact O-CB 3.16Å; F70-W74 PolarHBondContact O-N 2.82Å; F70-L76 HydrophobicContact CE1-CB 4.11Å; F70-L102 HydrophobicContact CE1-CD1 4.27Å; F70-L102 HydrophobicContact CZ-CD1 3.89Å
71	Q	87	Confident	86.7	Confident	78 Å²	78	49.8 Å²	49.8	36%	0.364	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.9	86.4	179.2	-67.4	-165.7	0.8	0	0	114.6	N73 W74 H110	Q71-N73 PolarHBondContact O-N 2.8Å; Q71-W74 HydrophobicContact CB-CD2 4.25Å; Q71-W74 HydrophobicContact CB-CG 4.32Å; Q71-W74 PolarHBondContact O-N 3.15Å; Q71-W74 VanDerWaalsContact O-N 3.08Å; Q71-H110 PolarHBondContact NE2-CE1 3.03Å; Q71-H110 PolarHBondContact NE2-NE2 2.75Å; Q71-H110 PolarHBondContact OE1-CE1 2.8Å
72	D	81.7	Confident	87	Confident	166 Å²	166	47.5 Å²	47.5	89%	0.888	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	43.6	-34.5	173.3	-65.2	-14.8	0	0	0	120
73	N	88.9	Confident	86.7	Confident	121 Å²	121	44.3 Å²	44.3	65%	0.647	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-154.6	8.2	178.7	-76.9	-56.7	0	0	0	114.3	Q71	Q71-N73 PolarHBondContact O-N 2.8Å
74	W	93.6	Very high	86.3	Confident	8 Å²	8	47.1 Å²	47.1	3%	0.03	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	147.7	177.3	-56.3	6.9	0	0	0	110	I50 G69 F70 Q71 R103 F104 T105 H110 F111	I50-W74 HydrophobicContact CD1-CH2 4.07Å; I50-W74 HydrophobicContact CD1-CZ3 3.67Å; I50-W74 HydrophobicContact CG1-CH2 4.48Å; I50-W74 HydrophobicContact CG1-CZ3 4.02Å; I50-W74 HydrophobicContact CG2-CE3 4.24Å; I50-W74 HydrophobicContact CG2-CZ3 3.68Å; G69-W74 WeakPolarHBondContact CA-O 3.15Å; F70-W74 HydrophobicContact CD1-CB 4.31Å; F70-W74 HydrophobicContact CD2-CB 4.18Å; F70-W74 HydrophobicContact CD2-CE3 4.09Å; F70-W74 HydrophobicContact CE1-CB 4.17Å; F70-W74 HydrophobicContact CE2-CB 4.09Å; F70-W74 HydrophobicContact CE2-CD2 4.42Å; F70-W74 AromaticContact CE2-CE3 3.54Å; F70-W74 HydrophobicContact CE2-CE3 3.54Å; F70-W74 HydrophobicContact CE2-CZ3 4.35Å; F70-W74 HydrophobicContact CG-CB 4.3Å; F70-W74 HydrophobicContact CZ-CB 4.06Å; F70-W74 HydrophobicContact CZ-CE3 4.21Å; F70-W74 PolarHBondContact N-O 2.85Å; F70-W74 CarbonylContact O-C 3.51Å; F70-W74 VanDerWaalsContact O-CA 3.31Å; F70-W74 WeakPolarHBondContact O-CA 3.27Å; F70-W74 WeakPolarHBondContact O-CB 3.16Å; F70-W74 PolarHBondContact O-N 2.82Å; Q71-W74 HydrophobicContact CB-CD2 4.25Å; Q71-W74 HydrophobicContact CB-CG 4.32Å; Q71-W74 PolarHBondContact O-N 3.15Å; Q71-W74 VanDerWaalsContact O-N 3.08Å; W74-R103 WeakPolarHBondContact CA-O 3.44Å; W74-R103 WeakPolarHBondContact CB-O 3.39Å; W74-F104 HydrophobicContact CB-CB 4.47Å; W74-F104 HydrophobicContact CD2-CB 3.58Å; W74-F104 HydrophobicContact CE3-CB 3.92Å; W74-F104 HydrophobicContact CG-CB 3.82Å; W74-F104 HydrophobicContact CZ2-CB 4.32Å; W74-F104 HydrophobicContact CZ3-CB 4.45Å; W74-T105 WeakPolarHBondContact CZ2-O 3.07Å; W74-T105 PolarHBondContact NE1-OG1 2.83Å; W74-H110 HydrophobicContact CH2-CB 4.04Å; W74-H110 AromaticContact CH2-CG 3.76Å; W74-H110 AromaticContact CH2-ND1 3.78Å; W74-F111 AromaticContact CH2-CE2 3.83Å; W74-F111 HydrophobicContact CH2-CE2 3.83Å; W74-F111 HydrophobicContact CZ2-CE2 4.08Å
75	W	94.3	Very high	85.4	Confident	52 Å²	52	49.7 Å²	49.7	20%	0.197	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	151.6	175.6	53.5	-101.4	0	0	0	112.6	T67 I68 K77 H101 R103 F121	T67-W75 HydrophobicContact CG2-CB 3.98Å; T67-W75 HydrophobicContact CG2-CE3 4.46Å; T67-W75 HydrophobicContact CG2-CG 4.4Å; I68-W75 CarbonylContact O-C 3.53Å; I68-W75 WeakPolarHBondContact O-CA 3.07Å; W75-K77 HydrophobicContact CE3-CB 3.81Å; W75-K77 HydrophobicContact CZ3-CB 3.63Å; W75-K77 HydrophobicContact CZ3-CD 4.47Å; W75-H101 HydrophobicContact CH2-CB 4.47Å; W75-H101 HydrophobicContact CZ3-CB 3.86Å; W75-R103 HydrophobicContact CD2-CB 3.68Å; W75-R103 VanDerWaalsContact CE2-CD 3.47Å; W75-R103 HydrophobicContact CE3-CB 4.15Å; W75-R103 HydrophobicContact CG-CB 4.19Å; W75-R103 HydrophobicContact CH2-CB 4.18Å; W75-R103 HydrophobicContact CZ2-CB 3.66Å; W75-R103 HydrophobicContact CZ2-CG 4.25Å; W75-R103 HydrophobicContact CZ3-CB 4.37Å; W75-R103 PolarHBondContact N-O 3.34Å; W75-R103 PolarHBondContact O-N 3.15Å; W75-F121 HydrophobicContact CH2-CD2 4.08Å; W75-F121 AromaticContact CH2-CE2 3.58Å; W75-F121 HydrophobicContact CH2-CE2 3.58Å; W75-F121 HydrophobicContact CZ2-CE2 4.4Å; W75-F121 HydrophobicContact CZ3-CE2 4.16Å
76	L	92.5	Very high	84	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.4	175.6	-179.3	69.6	0	0	0	107.9	I23 F25 L52 T67 I68 F70 F78 V100 H101 L102	I23-L76 HydrophobicContact CD1-CD2 4.04Å; I23-L76 HydrophobicContact CG2-CD2 4.31Å; F25-L76 HydrophobicContact CE1-CD1 3.84Å; F25-L76 HydrophobicContact CE1-CD2 4.43Å; F25-L76 HydrophobicContact CZ-CD1 3.75Å; F25-L76 HydrophobicContact CZ-CD2 3.76Å; F25-L76 HydrophobicContact CZ-CG 4.26Å; L52-L76 HydrophobicContact CD2-CD2 4.16Å; T67-L76 CarbonylContact C-O 3.49Å; T67-L76 WeakPolarHBondContact CA-O 3.18Å; I68-L76 HydrophobicContact CB-CB 4.49Å; I68-L76 PolarHBondContact N-O 2.81Å; I68-L76 PolarHBondContact O-N 3.19Å; F70-L76 HydrophobicContact CE1-CB 4.11Å; L76-F78 HydrophobicContact CD2-CE1 4.43Å; L76-F78 HydrophobicContact CD2-CE2 3.46Å; L76-F78 VanDerWaalsContact CD2-CE2 3.46Å; L76-F78 HydrophobicContact CD2-CZ 3.36Å; L76-F78 HydrophobicContact CG-CD2 4.45Å; L76-F78 HydrophobicContact CG-CE2 3.72Å; L76-F78 HydrophobicContact CG-CZ 3.86Å; L76-V100 HydrophobicContact CD1-CG1 3.51Å; L76-V100 HydrophobicContact CG-CG1 4.39Å; L76-H101 CarbonylContact C-O 3.59Å; L76-H101 WeakPolarHBondContact CA-O 3.31Å; L76-L102 HydrophobicContact CD1-CB 4.15Å; L76-L102 HydrophobicContact CD1-CD1 4.2Å
77	K	92.4	Very high	81.8	Confident	63 Å²	63	55.5 Å²	55.5	27%	0.274	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.4	179.9	173.1	177	-81.3	-163.9	0	109.7	L65 M66 T67 W75 V100 H101	L65-K77 HydrophobicContact CD2-CD 3.68Å; L65-K77 HydrophobicContact CD2-CG 3.83Å; M66-K77 CarbonylContact O-C 3.55Å; M66-K77 WeakPolarHBondContact O-CA 3.11Å; T67-K77 HydrophobicContact CG2-CB 4.31Å; T67-K77 WeakPolarHBondContact OG1-CE 3.4Å; W75-K77 HydrophobicContact CE3-CB 3.81Å; W75-K77 HydrophobicContact CZ3-CB 3.63Å; W75-K77 HydrophobicContact CZ3-CD 4.47Å; K77-V100 CarbonylContact O-C 3.39Å; K77-V100 WeakPolarHBondContact O-CA 3.32Å; K77-H101 HydrophobicContact CB-CB 4.23Å; K77-H101 PolarHBondContact N-O 2.84Å; K77-H101 PolarHBondContact O-N 2.82Å
78	F	88.7	Confident	79.9	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.009	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.9	170.6	-61.4	-88.3	0	0	0	108.7	L19 I23 L65 M66 I68 L76 F80 V97 V100 F152	L19-F78 HydrophobicContact CD1-CE2 4.49Å; L19-F78 HydrophobicContact CD1-CZ 4.41Å; L19-F78 HydrophobicContact CD2-CE2 4.33Å; L19-F78 HydrophobicContact CD2-CZ 4.28Å; I23-F78 HydrophobicContact CD1-CZ 4.05Å; L65-F78 WeakPolarHBondContact CA-O 3.26Å; M66-F78 HydrophobicContact CB-CB 4.36Å; M66-F78 HydrophobicContact CB-CD2 4.49Å; M66-F78 PolarHBondContact N-O 3.25Å; M66-F78 PolarHBondContact O-N 3.11Å; I68-F78 HydrophobicContact CD1-CE2 3.84Å; I68-F78 HydrophobicContact CG1-CE2 4.42Å; L76-F78 HydrophobicContact CD2-CE1 4.43Å; L76-F78 HydrophobicContact CD2-CE2 3.46Å; L76-F78 VanDerWaalsContact CD2-CE2 3.46Å; L76-F78 HydrophobicContact CD2-CZ 3.36Å; L76-F78 HydrophobicContact CG-CD2 4.45Å; L76-F78 HydrophobicContact CG-CE2 3.72Å; L76-F78 HydrophobicContact CG-CZ 3.86Å; F78-F80 HydrophobicContact CB-CD2 4.26Å; F78-F80 HydrophobicContact CB-CE2 3.52Å; F78-F80 HydrophobicContact CB-CZ 3.81Å; F78-F80 HydrophobicContact CG-CE2 4.48Å; F78-F80 HydrophobicContact CG-CZ 4.39Å; F78-V97 HydrophobicContact CD1-CG1 4.2Å; F78-V100 HydrophobicContact CD1-CG1 4.37Å; F78-V100 HydrophobicContact CD1-CG2 3.85Å; F78-V100 HydrophobicContact CE1-CG1 4.21Å; F78-V100 HydrophobicContact CE1-CG2 4.07Å; F78-F152 HydrophobicContact CE1-CD1 4.44Å; F78-F152 AromaticContact CE1-CE1 3.4Å; F78-F152 HydrophobicContact CE1-CE1 3.4Å; F78-F152 AromaticContact CE1-CZ 3.48Å; F78-F152 HydrophobicContact CE1-CZ 3.48Å; F78-F152 VanDerWaalsContact CE1-CZ 3.48Å; F78-F152 AromaticContact CZ-CE1 3.66Å; F78-F152 HydrophobicContact CZ-CE1 3.66Å; F78-F152 HydrophobicContact CZ-CZ 4.07Å
79	H	87.5	Confident	78	Confident	55 Å²	55	68.7 Å²	68.7	26%	0.255	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.9	167.6	-171	-116.9	0	0	0	107.9	L65 T81 V97 D98 S99	L65-H79 HydrophobicContact CD2-CB 4.4Å; H79-T81 PolarHBondContact CE1-OG1 2.77Å; H79-T81 PolarHBondContact ND1-OG1 3.37Å; H79-V97 CarbonylContact O-C 3.48Å; H79-V97 WeakPolarHBondContact O-CA 3.21Å; H79-D98 IonicContact CE1-OD2 3.79Å; H79-D98 IonicContact ND1-OD2 3.75Å; H79-D98 PolarHBondContact ND1-OD2 2.76Å; H79-D98 PolarHBondContact O-N 2.79Å; H79-S99 WeakPolarHBondContact CB-OG 3.47Å; H79-S99 PolarHBondContact N-O 2.88Å; H79-S99 PolarHBondContact O-N 3Å
80	F	82.9	Confident	76.2	Confident	6 Å²	6	76.1 Å²	76.1	3%	0.026	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.9	174.2	-60	-90.8	0	0	0	108.5	I17 H64 M66 F78 W95 L96 V97 V158	I17-F80 HydrophobicContact CD1-CD2 3.82Å; I17-F80 HydrophobicContact CD1-CE2 3.82Å; I17-F80 HydrophobicContact CG2-CE2 3.97Å; I17-F80 HydrophobicContact CG2-CZ 3.83Å; H64-F80 PolarHBondContact O-N 3.02Å; M66-F80 HydrophobicContact CB-CE2 3.84Å; F78-F80 HydrophobicContact CB-CD2 4.26Å; F78-F80 HydrophobicContact CB-CE2 3.52Å; F78-F80 HydrophobicContact CB-CZ 3.81Å; F78-F80 HydrophobicContact CG-CE2 4.48Å; F78-F80 HydrophobicContact CG-CZ 4.39Å; F80-W95 HydrophobicContact CB-CE3 4.06Å; F80-L96 CarbonylContact C-O 3.59Å; F80-L96 VanDerWaalsContact CA-O 3.23Å; F80-L96 WeakPolarHBondContact CA-O 3.37Å; F80-V97 HydrophobicContact CD1-CG2 3.91Å; F80-V97 HydrophobicContact CE1-CG2 3.55Å; F80-V97 HydrophobicContact CZ-CG2 4.34Å; F80-V158 HydrophobicContact CD1-CG2 4.42Å; F80-V158 HydrophobicContact CE1-CG2 4.1Å
81	T	80.9	Confident	74.6	Confident	56 Å²	56	82.6 Å²	82.6	34%	0.344	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.3	175	-64.5	0	0	0	0	108.2	H79 D83 L96 D98	H79-T81 PolarHBondContact CE1-OG1 2.77Å; H79-T81 PolarHBondContact ND1-OG1 3.37Å; T81-D83 PolarHBondContact O-N 3.29Å; T81-L96 PolarHBondContact N-O 3.36Å; T81-L96 PolarHBondContact O-N 3.37Å; T81-D98 WeakPolarHBondContact OG1-CB 3.41Å
82	R	73.2	Confident	73.1	Confident	108 Å²	108	82.8 Å²	82.8	41%	0.408	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	116.6	173.8	-163.9	178.2	-159.7	175.2	8.2	108.2	S84 N92 D93 W95	R82-S84 PolarHBondContact O-N 3.25Å; R82-N92 PolarHBondContact NE-O 3.23Å; R82-N92 PolarHBondContact NH2-O 2.93Å; R82-D93 IonicContact CZ-OD1 3.44Å; R82-D93 IonicContact NH2-OD1 3.29Å; R82-D93 PolarHBondContact NH2-OD1 2.96Å; R82-W95 HydrophobicContact CB-CD2 4.37Å; R82-W95 HydrophobicContact CB-CE3 4.37Å; R82-W95 HydrophobicContact CB-CH2 4.49Å; R82-W95 HydrophobicContact CB-CZ2 4.45Å; R82-W95 HydrophobicContact CB-CZ3 4.44Å
83	D	69	Low	72.1	Confident	56 Å²	56	78.5 Å²	78.5	30%	0.299	40%	0.402	S	S	.	.			trans	-92.8	98.5	176.1	-167.5	-7	0	0	0	109.4	T81 N85 V86 H94 L96	T81-D83 PolarHBondContact O-N 3.29Å; D83-N85 PolarHBondContact O-N 2.98Å; D83-N85 VanDerWaalsContact O-N 3.14Å; D83-N85 WeakPolarHBondContact OD1-CA 3.49Å; D83-N85 WeakPolarHBondContact OD1-CB 3.19Å; D83-N85 PolarHBondContact OD1-N 3.01Å; D83-V86 HydrophobicContact CB-CG2 4.07Å; D83-V86 PolarHBondContact O-N 2.76Å; D83-V86 WeakPolarHBondContact OD2-CG2 3.42Å; D83-H94 PolarHBondContact N-O 3.44Å; D83-H94 VanDerWaalsContact N-O 3.15Å; D83-L96 HydrophobicContact CB-CD1 3.36Å; D83-L96 HydrophobicContact CB-CG 3.86Å; D83-L96 WeakPolarHBondContact OD2-CD1 3.35Å
84	S	64.1	Low	71	Confident	88 Å²	88	75.8 Å²	75.8	62%	0.615	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.3	173.3	60	0	0	0	0	113.5	R82 T87	R82-S84 PolarHBondContact O-N 3.25Å; S84-T87 WeakPolarHBondContact O-CG2 3.23Å
85	N	63.1	Low	70.1	Confident	125 Å²	125	77.5 Å²	77.5	67%	0.668	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-12.6	-174.6	-154.8	25.7	0	0	0	113.4	D83 T87	D83-N85 PolarHBondContact O-N 2.98Å; D83-N85 VanDerWaalsContact O-N 3.14Å; D83-N85 WeakPolarHBondContact OD1-CA 3.49Å; D83-N85 WeakPolarHBondContact OD1-CB 3.19Å; D83-N85 PolarHBondContact OD1-N 3.01Å; N85-T87 PolarHBondContact O-N 3.43Å; N85-T87 PolarHBondContact O-OG1 3.14Å
86	V	58.7	Low	69.4	Low	65 Å²	65	78.6 Å²	78.6	39%	0.394	40%	0.401	S	S	.	.	S	Bend	trans	-74.6	67.8	163.4	-175.6	0	0	0	0	107.4	D83 H94 L96	D83-V86 HydrophobicContact CB-CG2 4.07Å; D83-V86 PolarHBondContact O-N 2.76Å; D83-V86 WeakPolarHBondContact OD2-CG2 3.42Å; V86-H94 HydrophobicContact CB-CB 4.45Å; V86-L96 HydrophobicContact CG2-CD1 3.97Å
87	T	44	Very low	68.9	Low	87 Å²	87	80.2 Å²	80.2	53%	0.534	41%	0.411	S	S	.	.			trans	-91.3	114.4	-175.1	41.5	0	0	0	0	108.3	S84 N85	S84-T87 WeakPolarHBondContact O-CG2 3.23Å; N85-T87 PolarHBondContact O-N 3.43Å; N85-T87 PolarHBondContact O-OG1 3.14Å
88	K	53.1	Low	68.4	Low	198 Å²	198	78.9 Å²	78.9	86%	0.861	41%	0.407	S	S	*	.	S	Bend	trans	-170.9	-11.6	148.4	-106.3	177.9	-167.4	-170	0	112.3
89	D	54.5	Low	68.3	Low	85 Å²	85	79.2 Å²	79.2	46%	0.455	41%	0.41	S	S	.	.	S	Bend	trans	-102.2	117.9	175.5	-50.3	-11.3	0	0	0	107.2	H91 N92 H94	D89-H91 PolarHBondContact O-N 2.82Å; D89-N92 PolarHBondContact O-N 3.4Å; D89-H94 IonicContact OD2-CE1 3.02Å; D89-H94 PolarHBondContact OD2-CE1 2.94Å; D89-H94 VanDerWaalsContact OD2-CE1 3.29Å; D89-H94 IonicContact OD2-NE2 2.77Å; D89-H94 PolarHBondContact OD2-NE2 3.41Å
90	D	56.3	Low	68.3	Low	167 Å²	167	77 Å²	77	89%	0.893	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-7.4	-175.8	-72.2	-32.7	0	0	0	114.1
91	H	59.7	Low	68.7	Low	148 Å²	148	78.6 Å²	78.6	69%	0.685	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.8	-179.4	-65.3	-53.5	0	0	0	114.9	D89 D93	D89-H91 PolarHBondContact O-N 2.82Å; H91-D93 PolarHBondContact O-N 2.81Å; H91-D93 VanDerWaalsContact O-OD1 3.11Å
92	N	55.6	Low	69.1	Low	83 Å²	83	76.4 Å²	76.4	44%	0.444	39%	0.393	S	S	.	.			trans	51.6	20.9	177	-91.2	-8.4	0	0	0	115.2	R82 D89 H94	R82-N92 PolarHBondContact NE-O 3.23Å; R82-N92 PolarHBondContact NH2-O 2.93Å; D89-N92 PolarHBondContact O-N 3.4Å; N92-H94 PolarHBondContact O-N 3.28Å
93	D	62	Low	70	Confident	75 Å²	75	75.6 Å²	75.6	40%	0.401	39%	0.39	S	S	.	.			trans	-100.3	26.3	-169.8	-72.1	-24.7	0	0	0	113.4	R82 H91	R82-D93 IonicContact CZ-OD1 3.44Å; R82-D93 IonicContact NH2-OD1 3.29Å; R82-D93 PolarHBondContact NH2-OD1 2.96Å; H91-D93 PolarHBondContact O-N 2.81Å; H91-D93 VanDerWaalsContact O-OD1 3.11Å
94	H	65.9	Low	71	Confident	65 Å²	65	73 Å²	73	30%	0.301	38%	0.376	S	S	.	.			trans	-88.2	116.1	178.3	-67.4	-62.9	0	0	0	111.4	D83 V86 D89 N92	D83-H94 PolarHBondContact N-O 3.44Å; D83-H94 VanDerWaalsContact N-O 3.15Å; V86-H94 HydrophobicContact CB-CB 4.45Å; D89-H94 IonicContact OD2-CE1 3.02Å; D89-H94 PolarHBondContact OD2-CE1 2.94Å; D89-H94 VanDerWaalsContact OD2-CE1 3.29Å; D89-H94 IonicContact OD2-NE2 2.77Å; D89-H94 PolarHBondContact OD2-NE2 3.41Å; N92-H94 PolarHBondContact O-N 3.28Å
95	W	73.4	Confident	72.3	Confident	43 Å²	43	71.1 Å²	71.1	16%	0.163	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.1	172.6	-67.9	79.2	0	0	0	109.8	H64 F80 R82 V158 S160	H64-W95 AromaticContact CE1-CH2 3.93Å; H64-W95 AromaticContact ND1-CH2 3.8Å; H64-W95 AromaticContact ND1-CZ3 3.73Å; F80-W95 HydrophobicContact CB-CE3 4.06Å; R82-W95 HydrophobicContact CB-CD2 4.37Å; R82-W95 HydrophobicContact CB-CE3 4.37Å; R82-W95 HydrophobicContact CB-CH2 4.49Å; R82-W95 HydrophobicContact CB-CZ2 4.45Å; R82-W95 HydrophobicContact CB-CZ3 4.44Å; W95-V158 HydrophobicContact CB-CB 4.38Å; W95-V158 HydrophobicContact CB-CG1 4.29Å; W95-S160 VanDerWaalsContact CE2-CB 3.42Å; W95-S160 PolarHBondContact NE1-OG 2.78Å
96	L	79	Confident	73.4	Confident	75 Å²	75	66.9 Å²	66.9	39%	0.393	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	152.7	175.6	-58.8	-179.9	0	0	0	109.5	F80 T81 D83 V86 D98	F80-L96 CarbonylContact C-O 3.59Å; F80-L96 VanDerWaalsContact CA-O 3.23Å; F80-L96 WeakPolarHBondContact CA-O 3.37Å; T81-L96 PolarHBondContact N-O 3.36Å; T81-L96 PolarHBondContact O-N 3.37Å; D83-L96 HydrophobicContact CB-CD1 3.36Å; D83-L96 HydrophobicContact CB-CG 3.86Å; D83-L96 WeakPolarHBondContact OD2-CD1 3.35Å; V86-L96 HydrophobicContact CG2-CD1 3.97Å; L96-D98 PolarHBondContact O-N 2.85Å
97	V	82.5	Confident	74.8	Confident	34 Å²	34	65.9 Å²	65.9	21%	0.206	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	109.7	165.1	179.5	0	0	0	0	107.1	F78 H79 F80 V100 A126	F78-V97 HydrophobicContact CD1-CG1 4.2Å; H79-V97 CarbonylContact O-C 3.48Å; H79-V97 WeakPolarHBondContact O-CA 3.21Å; F80-V97 HydrophobicContact CD1-CG2 3.91Å; F80-V97 HydrophobicContact CE1-CG2 3.55Å; F80-V97 HydrophobicContact CZ-CG2 4.34Å; V97-V100 HydrophobicContact CG1-CG2 3.6Å; V97-A126 WeakPolarHBondContact O-CB 3.41Å
98	D	82.2	Confident	76.9	Confident	35 Å²	35	71 Å²	71	19%	0.187	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-51.5	175.7	170	43.2	0	0	0	110.3	H79 T81 L96 R125 A126	H79-D98 IonicContact CE1-OD2 3.79Å; H79-D98 IonicContact ND1-OD2 3.75Å; H79-D98 PolarHBondContact ND1-OD2 2.76Å; H79-D98 PolarHBondContact O-N 2.79Å; T81-D98 WeakPolarHBondContact OG1-CB 3.41Å; L96-D98 PolarHBondContact O-N 2.85Å; D98-R125 CarbonylContact O-C 3.51Å; D98-R125 WeakPolarHBondContact O-CA 3.33Å; D98-R125 WeakPolarHBondContact O-CG 2.91Å; D98-R125 IonicContact OD1-CZ 2.86Å; D98-R125 IonicContact OD1-NE 3.92Å; D98-R125 PolarHBondContact OD1-NE 2.82Å; D98-R125 IonicContact OD1-NH2 3.57Å; D98-R125 PolarHBondContact OD1-NH2 2.84Å; D98-R125 IonicContact OD2-NE 2.72Å; D98-R125 IonicContact OD2-NH2 3.49Å; D98-R125 PolarHBondContact OD2-NH2 3.03Å; D98-A126 PolarHBondContact O-N 2.93Å
99	S	86.2	Confident	78.6	Confident	10 Å²	10	69.4 Å²	69.4	7%	0.07	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.2	-178.7	73.2	0	0	0	0	113.2	H79 H101 A124	H79-S99 WeakPolarHBondContact CB-OG 3.47Å; H79-S99 PolarHBondContact N-O 2.88Å; H79-S99 PolarHBondContact O-N 3Å; S99-H101 PolarHBondContact OG-CD2 3.21Å; S99-H101 PolarHBondContact OG-NE2 3.41Å; S99-A124 CarbonylContact C-O 3.55Å; S99-A124 WeakPolarHBondContact CA-O 3.42Å; S99-A124 WeakPolarHBondContact CB-O 3.22Å
100	V	87.7	Confident	80.3	Confident	9 Å²	9	67.7 Å²	67.7	6%	0.055	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	124.4	173.4	-175.8	0	0	0	0	108	L76 K77 F78 V97 S123 A124 F152	L76-V100 HydrophobicContact CD1-CG1 3.51Å; L76-V100 HydrophobicContact CG-CG1 4.39Å; K77-V100 CarbonylContact O-C 3.39Å; K77-V100 WeakPolarHBondContact O-CA 3.32Å; F78-V100 HydrophobicContact CD1-CG1 4.37Å; F78-V100 HydrophobicContact CD1-CG2 3.85Å; F78-V100 HydrophobicContact CE1-CG1 4.21Å; F78-V100 HydrophobicContact CE1-CG2 4.07Å; V97-V100 HydrophobicContact CG1-CG2 3.6Å; V100-S123 CarbonylContact O-C 3.51Å; V100-S123 WeakPolarHBondContact O-CA 3.21Å; V100-A124 HydrophobicContact CB-CB 4.43Å; V100-A124 PolarHBondContact N-O 3.34Å; V100-A124 PolarHBondContact O-N 2.68Å; V100-F152 HydrophobicContact CG1-CZ 4.44Å; V100-F152 HydrophobicContact CG2-CE2 4.36Å; V100-F152 HydrophobicContact CG2-CZ 4.2Å
101	H	90.8	Very high	81.9	Confident	39 Å²	39	59.9 Å²	59.9	18%	0.181	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.1	179.1	-60.9	-88.8	0	0	0	109.5	W75 L76 K77 S99 F121 L122 S123	W75-H101 HydrophobicContact CH2-CB 4.47Å; W75-H101 HydrophobicContact CZ3-CB 3.86Å; L76-H101 CarbonylContact C-O 3.59Å; L76-H101 WeakPolarHBondContact CA-O 3.31Å; K77-H101 HydrophobicContact CB-CB 4.23Å; K77-H101 PolarHBondContact N-O 2.84Å; K77-H101 PolarHBondContact O-N 2.82Å; S99-H101 PolarHBondContact OG-CD2 3.21Å; S99-H101 PolarHBondContact OG-NE2 3.41Å; H101-F121 HydrophobicContact CB-CE2 3.8Å; H101-F121 HydrophobicContact CB-CZ 3.94Å; H101-F121 AromaticContact CG-CZ 3.84Å; H101-F121 AromaticContact ND1-CE1 3.82Å; H101-F121 AromaticContact ND1-CE2 3.94Å; H101-F121 AromaticContact ND1-CZ 3.15Å; H101-F121 WeakPolarHBondContact ND1-CZ 3.28Å; H101-L122 CarbonylContact C-O 3.49Å; H101-L122 VanDerWaalsContact CA-O 3.28Å; H101-L122 WeakPolarHBondContact CA-O 3.5Å; H101-S123 PolarHBondContact CE1-OG 3.35Å; H101-S123 WeakPolarHBondContact ND1-CB 3.11Å; H101-S123 PolarHBondContact ND1-OG 2.98Å; H101-S123 VanDerWaalsContact ND1-OG 3.08Å
102	L	90.6	Very high	83.2	Confident	9 Å²	9	56.1 Å²	56.1	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.1	176.6	174.3	68	0	0	0	109	F25 F70 L76 F104 L122	F25-L102 HydrophobicContact CB-CD2 4.37Å; F25-L102 HydrophobicContact CD1-CD2 3.73Å; F25-L102 HydrophobicContact CD2-CD2 4.31Å; F25-L102 HydrophobicContact CE1-CD1 4.38Å; F25-L102 HydrophobicContact CE1-CD2 4.07Å; F25-L102 HydrophobicContact CE2-CD1 4.25Å; F25-L102 HydrophobicContact CG-CD2 3.85Å; F25-L102 HydrophobicContact CZ-CD1 4.11Å; F25-L102 HydrophobicContact CZ-CD2 4.49Å; F70-L102 HydrophobicContact CE1-CD1 4.27Å; F70-L102 HydrophobicContact CZ-CD1 3.89Å; L76-L102 HydrophobicContact CD1-CB 4.15Å; L76-L102 HydrophobicContact CD1-CD1 4.2Å; L102-F104 HydrophobicContact CD2-CD1 4.02Å; L102-F104 HydrophobicContact CD2-CE1 4.27Å; L102-F104 HydrophobicContact CG-CD1 4.02Å; L102-L122 HydrophobicContact CB-CB 4.36Å; L102-L122 HydrophobicContact CD2-CD1 4.35Å; L102-L122 PolarHBondContact N-O 3.16Å; L102-L122 PolarHBondContact O-N 3.48Å
103	R	91.8	Very high	84.6	Confident	91 Å²	91	56 Å²	56	34%	0.343	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.1	169.5	-168.4	-173.8	-176.4	176.9	-7.8	109.7	W74 W75 L120 F121	W74-R103 WeakPolarHBondContact CA-O 3.44Å; W74-R103 WeakPolarHBondContact CB-O 3.39Å; W75-R103 HydrophobicContact CD2-CB 3.68Å; W75-R103 VanDerWaalsContact CE2-CD 3.47Å; W75-R103 HydrophobicContact CE3-CB 4.15Å; W75-R103 HydrophobicContact CG-CB 4.19Å; W75-R103 HydrophobicContact CH2-CB 4.18Å; W75-R103 HydrophobicContact CZ2-CB 3.66Å; W75-R103 HydrophobicContact CZ2-CG 4.25Å; W75-R103 HydrophobicContact CZ3-CB 4.37Å; W75-R103 PolarHBondContact N-O 3.34Å; W75-R103 PolarHBondContact O-N 3.15Å; R103-L120 WeakPolarHBondContact CA-O 3.33Å; R103-F121 HydrophobicContact CB-CD2 4.42Å
104	F	90.8	Very high	85.8	Confident	1 Å²	1	53.4 Å²	53.4	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	163.9	174.2	63.1	-87.7	0	0	0	110.9	V27 W74 L102 Y106 F111 W119 L120 L122	V27-F104 HydrophobicContact CG1-CE1 4.43Å; V27-F104 HydrophobicContact CG1-CE2 4.27Å; V27-F104 HydrophobicContact CG1-CZ 3.66Å; V27-F104 HydrophobicContact CG2-CE1 4.42Å; V27-F104 HydrophobicContact CG2-CZ 4.34Å; W74-F104 HydrophobicContact CB-CB 4.47Å; W74-F104 HydrophobicContact CD2-CB 3.58Å; W74-F104 HydrophobicContact CE3-CB 3.92Å; W74-F104 HydrophobicContact CG-CB 3.82Å; W74-F104 HydrophobicContact CZ2-CB 4.32Å; W74-F104 HydrophobicContact CZ3-CB 4.45Å; L102-F104 HydrophobicContact CD2-CD1 4.02Å; L102-F104 HydrophobicContact CD2-CE1 4.27Å; L102-F104 HydrophobicContact CG-CD1 4.02Å; F104-Y106 HydrophobicContact CE2-CD1 4.37Å; F104-Y106 AromaticContact CE2-CE1 3.93Å; F104-Y106 HydrophobicContact CE2-CE1 3.93Å; F104-Y106 HydrophobicContact CE2-CE2 4.38Å; F104-Y106 AromaticContact CE2-CZ 3.94Å; F104-F111 AromaticContact CD2-CE2 3.73Å; F104-F111 HydrophobicContact CD2-CE2 3.73Å; F104-F111 AromaticContact CD2-CZ 3.62Å; F104-F111 HydrophobicContact CD2-CZ 3.62Å; F104-F111 HydrophobicContact CE2-CE1 4.06Å; F104-F111 AromaticContact CE2-CE2 3.95Å; F104-F111 HydrophobicContact CE2-CE2 3.95Å; F104-F111 AromaticContact CE2-CZ 3.45Å; F104-F111 HydrophobicContact CE2-CZ 3.45Å; F104-F111 VanDerWaalsContact CE2-CZ 3.45Å; F104-F111 HydrophobicContact CZ-CZ 4.32Å; F104-W119 CarbonylContact O-C 3.55Å; F104-W119 VanDerWaalsContact O-CA 3.26Å; F104-W119 WeakPolarHBondContact O-CA 3.41Å; F104-L120 HydrophobicContact CD1-CB 4.42Å; F104-L120 HydrophobicContact CD2-CB 4.45Å; F104-L120 HydrophobicContact CE1-CB 3.92Å; F104-L120 HydrophobicContact CE1-CD2 3.69Å; F104-L120 HydrophobicContact CE1-CG 4.35Å; F104-L120 HydrophobicContact CE2-CB 3.93Å; F104-L120 HydrophobicContact CE2-CD2 4.26Å; F104-L120 HydrophobicContact CZ-CB 3.66Å; F104-L120 HydrophobicContact CZ-CD2 3.32Å; F104-L120 HydrophobicContact CZ-CG 4.1Å; F104-L120 PolarHBondContact N-O 3.08Å; F104-L120 VanDerWaalsContact N-O 3.15Å; F104-L120 PolarHBondContact O-N 2.9Å; F104-L122 HydrophobicContact CE1-CD1 3.79Å; F104-L122 HydrophobicContact CE1-CG 4.23Å
105	T	90.1	Very high	86.5	Confident	50 Å²	50	53.5 Å²	53.5	31%	0.307	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142.3	173.5	50.2	0	0	0	0	110.5	W74 D107 G118 W119	W74-T105 WeakPolarHBondContact CZ2-O 3.07Å; W74-T105 PolarHBondContact NE1-OG1 2.83Å; T105-D107 PolarHBondContact O-N 3.44Å; T105-G118 CarbonylContact C-O 3.56Å; T105-G118 WeakPolarHBondContact CA-O 3.43Å; T105-W119 HydrophobicContact CG2-CB 3.92Å
106	Y	85.6	Confident	86.5	Confident	35 Å²	35	54.9 Å²	54.9	14%	0.137	28%	0.276	C	S	.	.			trans	-74.8	104.1	169.9	-70.1	-74.8	0	0	0	109	Y29 F104 F111 A114 H116 G118 L120	Y29-Y106 HydrophobicContact CG-CE1 4.35Å; F104-Y106 HydrophobicContact CE2-CD1 4.37Å; F104-Y106 AromaticContact CE2-CE1 3.93Å; F104-Y106 HydrophobicContact CE2-CE1 3.93Å; F104-Y106 HydrophobicContact CE2-CE2 4.38Å; F104-Y106 AromaticContact CE2-CZ 3.94Å; Y106-F111 HydrophobicContact CD1-CB 3.72Å; Y106-F111 AromaticContact CD1-CD1 3.77Å; Y106-F111 HydrophobicContact CD1-CD1 3.77Å; Y106-F111 AromaticContact CD1-CD2 3.88Å; Y106-F111 HydrophobicContact CD1-CD2 3.88Å; Y106-F111 HydrophobicContact CD1-CE1 4.28Å; Y106-F111 HydrophobicContact CD1-CE2 4.37Å; Y106-F111 AromaticContact CD1-CG 3.53Å; Y106-F111 HydrophobicContact CD1-CG 3.53Å; Y106-F111 AromaticContact CE1-CD1 3.84Å; Y106-F111 HydrophobicContact CE1-CD1 3.84Å; Y106-F111 HydrophobicContact CE1-CE1 4.09Å; Y106-F111 HydrophobicContact CE1-CG 4.1Å; Y106-A114 HydrophobicContact CD1-CB 3.84Å; Y106-A114 HydrophobicContact CG-CB 4.23Å; Y106-H116 WeakPolarHBondContact CD2-O 3.44Å; Y106-G118 PolarHBondContact N-O 2.8Å; Y106-L120 HydrophobicContact CE2-CB 4.02Å; Y106-L120 HydrophobicContact CE2-CD1 4.28Å
107	D	89.2	Confident	86.2	Confident	44 Å²	44	56.7 Å²	56.7	24%	0.235	29%	0.292	C	S	.	.			trans	-108.4	156.4	173.2	73.7	-48.2	0	0	0	110.5	T105 Q109 H110 F111	T105-D107 PolarHBondContact O-N 3.44Å; D107-Q109 PolarHBondContact O-N 2.93Å; D107-Q109 VanDerWaalsContact OD2-CB 3.27Å; D107-Q109 WeakPolarHBondContact OD2-CB 3.36Å; D107-Q109 PolarHBondContact OD2-N 2.84Å; D107-H110 VanDerWaalsContact OD1-CB 3.26Å; D107-H110 WeakPolarHBondContact OD1-CB 3.46Å; D107-H110 IonicContact OD1-CG 3.58Å; D107-H110 PolarHBondContact OD1-N 2.83Å; D107-H110 IonicContact OD1-ND1 3.8Å; D107-H110 PolarHBondContact OD1-ND1 3.21Å; D107-H110 IonicContact OD2-CE1 3.85Å; D107-H110 IonicContact OD2-CG 2.88Å; D107-H110 PolarHBondContact OD2-N 2.82Å; D107-H110 IonicContact OD2-ND1 2.84Å; D107-H110 PolarHBondContact OD2-ND1 3.46Å; D107-F111 CarbonylContact O-C 3.54Å; D107-F111 WeakPolarHBondContact O-CA 3.19Å; D107-F111 PolarHBondContact O-N 2.82Å
108	K	87.7	Confident	86.2	Confident	196 Å²	196	56.9 Å²	56.9	85%	0.852	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.3	-177.2	-68.9	-175.8	-179.7	179.2	0	113.2
109	Q	89.9	Confident	86.2	Confident	163 Å²	163	61.6 Å²	61.6	76%	0.762	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-42.2	-177.9	-174.6	-178.6	-2.4	0	0	111.5	D107	D107-Q109 PolarHBondContact O-N 2.93Å; D107-Q109 VanDerWaalsContact OD2-CB 3.27Å; D107-Q109 WeakPolarHBondContact OD2-CB 3.36Å; D107-Q109 PolarHBondContact OD2-N 2.84Å
110	H	89.1	Confident	86	Confident	50 Å²	50	63 Å²	63	23%	0.231	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-27.2	179.9	-53.3	86.6	0	0	0	113.5	Q71 W74 D107 P112	Q71-H110 PolarHBondContact NE2-CE1 3.03Å; Q71-H110 PolarHBondContact NE2-NE2 2.75Å; Q71-H110 PolarHBondContact OE1-CE1 2.8Å; W74-H110 HydrophobicContact CH2-CB 4.04Å; W74-H110 AromaticContact CH2-CG 3.76Å; W74-H110 AromaticContact CH2-ND1 3.78Å; D107-H110 VanDerWaalsContact OD1-CB 3.26Å; D107-H110 WeakPolarHBondContact OD1-CB 3.46Å; D107-H110 IonicContact OD1-CG 3.58Å; D107-H110 PolarHBondContact OD1-N 2.83Å; D107-H110 IonicContact OD1-ND1 3.8Å; D107-H110 PolarHBondContact OD1-ND1 3.21Å; D107-H110 IonicContact OD2-CE1 3.85Å; D107-H110 IonicContact OD2-CG 2.88Å; D107-H110 PolarHBondContact OD2-N 2.82Å; D107-H110 IonicContact OD2-ND1 2.84Å; D107-H110 PolarHBondContact OD2-ND1 3.46Å; H110-P112 VanDerWaalsContact C-CD 3.49Å; H110-P112 WeakPolarHBondContact O-CD 3.43Å
111	F	89.8	Confident	85.9	Confident	2 Å²	2	65 Å²	65	1%	0.009	33%	0.331	C	S	.	.	S	Bend	trans	-128.3	67.4	-176.5	-55.5	-86.5	0	0	0	111.8	V27 Y29 A48 I50 W74 F104 Y106 D107 S113 A114	V27-F111 HydrophobicContact CB-CE1 4.2Å; V27-F111 HydrophobicContact CG1-CE1 3.96Å; V27-F111 HydrophobicContact CG1-CZ 4.46Å; Y29-F111 AromaticContact CD1-CD1 3.6Å; Y29-F111 HydrophobicContact CD1-CD1 3.6Å; Y29-F111 HydrophobicContact CD1-CE1 4.07Å; Y29-F111 HydrophobicContact CD2-CB 4.47Å; Y29-F111 HydrophobicContact CD2-CD1 4.25Å; Y29-F111 AromaticContact CE1-CD1 3.61Å; Y29-F111 HydrophobicContact CE1-CD1 3.61Å; Y29-F111 HydrophobicContact CE1-CE1 4.3Å; Y29-F111 HydrophobicContact CE2-CB 4.03Å; Y29-F111 HydrophobicContact CE2-CD1 4.22Å; Y29-F111 AromaticContact CG-CD1 3.94Å; Y29-F111 HydrophobicContact CG-CD1 3.94Å; Y29-F111 AromaticContact CZ-CD1 3.93Å; A48-F111 HydrophobicContact CB-CD1 3.93Å; A48-F111 HydrophobicContact CB-CE1 3.72Å; A48-F111 HydrophobicContact CB-CZ 4.48Å; I50-F111 HydrophobicContact CD1-CE1 4.41Å; I50-F111 HydrophobicContact CD1-CE2 4.12Å; I50-F111 HydrophobicContact CD1-CZ 3.5Å; I50-F111 HydrophobicContact CG1-CZ 4.46Å; W74-F111 AromaticContact CH2-CE2 3.83Å; W74-F111 HydrophobicContact CH2-CE2 3.83Å; W74-F111 HydrophobicContact CZ2-CE2 4.08Å; F104-F111 AromaticContact CD2-CE2 3.73Å; F104-F111 HydrophobicContact CD2-CE2 3.73Å; F104-F111 AromaticContact CD2-CZ 3.62Å; F104-F111 HydrophobicContact CD2-CZ 3.62Å; F104-F111 HydrophobicContact CE2-CE1 4.06Å; F104-F111 AromaticContact CE2-CE2 3.95Å; F104-F111 HydrophobicContact CE2-CE2 3.95Å; F104-F111 AromaticContact CE2-CZ 3.45Å; F104-F111 HydrophobicContact CE2-CZ 3.45Å; F104-F111 VanDerWaalsContact CE2-CZ 3.45Å; F104-F111 HydrophobicContact CZ-CZ 4.32Å; Y106-F111 HydrophobicContact CD1-CB 3.72Å; Y106-F111 AromaticContact CD1-CD1 3.77Å; Y106-F111 HydrophobicContact CD1-CD1 3.77Å; Y106-F111 AromaticContact CD1-CD2 3.88Å; Y106-F111 HydrophobicContact CD1-CD2 3.88Å; Y106-F111 HydrophobicContact CD1-CE1 4.28Å; Y106-F111 HydrophobicContact CD1-CE2 4.37Å; Y106-F111 AromaticContact CD1-CG 3.53Å; Y106-F111 HydrophobicContact CD1-CG 3.53Å; Y106-F111 AromaticContact CE1-CD1 3.84Å; Y106-F111 HydrophobicContact CE1-CD1 3.84Å; Y106-F111 HydrophobicContact CE1-CE1 4.09Å; Y106-F111 HydrophobicContact CE1-CG 4.1Å; D107-F111 CarbonylContact O-C 3.54Å; D107-F111 WeakPolarHBondContact O-CA 3.19Å; D107-F111 PolarHBondContact O-N 2.82Å; F111-S113 PolarHBondContact O-N 2.91Å; F111-A114 HydrophobicContact CB-CB 4.02Å; F111-A114 PolarHBondContact O-N 3.03Å
112	P	87.1	Confident	85.4	Confident	69 Å²	69	64.7 Å²	64.7	45%	0.448	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	134.3	177.6	24.8	-34.4	0	0	0	110.6	Y29 H110 A114	Y29-P112 WeakPolarHBondContact OH-CD 3.36Å; H110-P112 VanDerWaalsContact C-CD 3.49Å; H110-P112 WeakPolarHBondContact O-CD 3.43Å; P112-A114 PolarHBondContact O-N 2.6Å; P112-A114 VanDerWaalsContact O-N 3.17Å
113	S	86.1	Confident	85	Confident	80 Å²	80	64.8 Å²	64.8	56%	0.559	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	21	176.9	-50.7	0	0	0	0	115.5	T31 V32 F111 R115	T31-S113 VanDerWaalsContact CA-O 3.23Å; T31-S113 WeakPolarHBondContact CA-O 3.43Å; V32-S113 PolarHBondContact N-O 3.08Å; F111-S113 PolarHBondContact O-N 2.91Å; S113-R115 PolarHBondContact O-N 3.29Å
114	A	85.8	Confident	84.2	Confident	22 Å²	22	60.7 Å²	60.7	18%	0.182	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-55.5	129.6	173.4	0	0	0	0	0	111.1	Y29 Y106 F111 P112 H116	Y29-A114 HydrophobicContact CD2-CB 4.04Å; Y29-A114 HydrophobicContact CE2-CB 4.24Å; Y106-A114 HydrophobicContact CD1-CB 3.84Å; Y106-A114 HydrophobicContact CG-CB 4.23Å; F111-A114 HydrophobicContact CB-CB 4.02Å; F111-A114 PolarHBondContact O-N 3.03Å; P112-A114 PolarHBondContact O-N 2.6Å; P112-A114 VanDerWaalsContact O-N 3.17Å; A114-H116 VanDerWaalsContact C-N 3.28Å; A114-H116 PolarHBondContact O-N 2.76Å
115	R	81.5	Confident	83.4	Confident	66 Å²	66	67 Å²	67	25%	0.249	34%	0.341	C	S	.	.	S	Bend	trans	-57	-40.4	-175.7	-178.5	176.2	176.4	-161	-9.2	113.3	E30 V32 M43 S113 E143	E30-R115 HydrophobicContact CB-CB 4.44Å; E30-R115 PolarHBondContact O-N 2.76Å; E30-R115 IonicContact OE2-CZ 3.99Å; E30-R115 IonicContact OE2-NH1 3.17Å; E30-R115 PolarHBondContact OE2-NH1 2.93Å; V32-R115 HydrophobicContact CG2-CB 3.6Å; V32-R115 HydrophobicContact CG2-CG 3.51Å; M43-R115 VanDerWaalsContact CE-NE 3.31Å; S113-R115 PolarHBondContact O-N 3.29Å; R115-E143 IonicContact CZ-OE2 2.68Å; R115-E143 IonicContact NH1-OE2 2.84Å; R115-E143 PolarHBondContact NH1-OE2 3.3Å; R115-E143 IonicContact NH2-OE1 3.29Å; R115-E143 IonicContact NH2-OE2 3.8Å; R115-E143 PolarHBondContact NH2-OE2 3.12Å
116	H	74.3	Confident	82	Confident	73 Å²	73	66.2 Å²	66.2	34%	0.338	34%	0.339	S	S	.	.	S	Bend	trans	-120.2	104.1	-175.7	-64	-58.5	0	0	0	110.3	Y106 A114 F144	Y106-H116 WeakPolarHBondContact CD2-O 3.44Å; A114-H116 VanDerWaalsContact C-N 3.28Å; A114-H116 PolarHBondContact O-N 2.76Å; H116-F144 AromaticContact CD2-CE2 3.67Å; H116-F144 AromaticContact CD2-CZ 3.61Å
117	P	71.1	Confident	80.4	Confident	113 Å²	113	70.5 Å²	70.5	73%	0.734	36%	0.364	S	S	*	.			trans	-65.6	136.9	167.5	27.9	-32.1	0	0	0	108.8
118	G	82.7	Confident	77.9	Confident	37 Å²	37	73.4 Å²	73.4	38%	0.381	40%	0.395	S	S	.	.	S	Bend	trans	156.5	-165.9	-177	0	0	0	0	0	112.1	T105 Y106	T105-G118 CarbonylContact C-O 3.56Å; T105-G118 WeakPolarHBondContact CA-O 3.43Å; Y106-G118 PolarHBondContact N-O 2.8Å
119	W	81.6	Confident	75.4	Confident	134 Å²	134	67 Å²	67	51%	0.508	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	146.7	172.3	58	-89.4	0	0	0	110.7	F104 T105 F121	F104-W119 CarbonylContact O-C 3.55Å; F104-W119 VanDerWaalsContact O-CA 3.26Å; F104-W119 WeakPolarHBondContact O-CA 3.41Å; T105-W119 HydrophobicContact CG2-CB 3.92Å; W119-F121 HydrophobicContact CE3-CB 4.23Å; W119-F121 HydrophobicContact CZ3-CB 3.82Å
120	L	83.4	Confident	72.8	Confident	39 Å²	39	61 Å²	61	20%	0.204	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.2	170.3	-159.8	81.9	0	0	0	108.8	R103 F104 Y106 L122	R103-L120 WeakPolarHBondContact CA-O 3.33Å; F104-L120 HydrophobicContact CD1-CB 4.42Å; F104-L120 HydrophobicContact CD2-CB 4.45Å; F104-L120 HydrophobicContact CE1-CB 3.92Å; F104-L120 HydrophobicContact CE1-CD2 3.69Å; F104-L120 HydrophobicContact CE1-CG 4.35Å; F104-L120 HydrophobicContact CE2-CB 3.93Å; F104-L120 HydrophobicContact CE2-CD2 4.26Å; F104-L120 HydrophobicContact CZ-CB 3.66Å; F104-L120 HydrophobicContact CZ-CD2 3.32Å; F104-L120 HydrophobicContact CZ-CG 4.1Å; F104-L120 PolarHBondContact N-O 3.08Å; F104-L120 VanDerWaalsContact N-O 3.15Å; F104-L120 PolarHBondContact O-N 2.9Å; Y106-L120 HydrophobicContact CE2-CB 4.02Å; Y106-L120 HydrophobicContact CE2-CD1 4.28Å; L120-L122 HydrophobicContact CD2-CD1 4.13Å; L120-L122 HydrophobicContact CD2-CD2 3.64Å; L120-L122 HydrophobicContact CD2-CG 3.77Å; L120-L122 HydrophobicContact CG-CD2 4.36Å; L120-L122 HydrophobicContact CG-CG 4.45Å
121	F	84.1	Confident	69.8	Low	53 Å²	53	64.9 Å²	64.9	23%	0.232	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.6	169.7	178	-102	0	0	0	108.7	W75 H101 R103 W119	W75-F121 HydrophobicContact CH2-CD2 4.08Å; W75-F121 AromaticContact CH2-CE2 3.58Å; W75-F121 HydrophobicContact CH2-CE2 3.58Å; W75-F121 HydrophobicContact CZ2-CE2 4.4Å; W75-F121 HydrophobicContact CZ3-CE2 4.16Å; H101-F121 HydrophobicContact CB-CE2 3.8Å; H101-F121 HydrophobicContact CB-CZ 3.94Å; H101-F121 AromaticContact CG-CZ 3.84Å; H101-F121 AromaticContact ND1-CE1 3.82Å; H101-F121 AromaticContact ND1-CE2 3.94Å; H101-F121 AromaticContact ND1-CZ 3.15Å; H101-F121 WeakPolarHBondContact ND1-CZ 3.28Å; R103-F121 HydrophobicContact CB-CD2 4.42Å; W119-F121 HydrophobicContact CE3-CB 4.23Å; W119-F121 HydrophobicContact CZ3-CB 3.82Å
122	L	82.2	Confident	67.1	Low	31 Å²	31	66.8 Å²	66.8	16%	0.162	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.3	175.7	-63.8	177.9	0	0	0	108.2	H101 L102 F104 L120 V148	H101-L122 CarbonylContact C-O 3.49Å; H101-L122 VanDerWaalsContact CA-O 3.28Å; H101-L122 WeakPolarHBondContact CA-O 3.5Å; L102-L122 HydrophobicContact CB-CB 4.36Å; L102-L122 HydrophobicContact CD2-CD1 4.35Å; L102-L122 PolarHBondContact N-O 3.16Å; L102-L122 PolarHBondContact O-N 3.48Å; F104-L122 HydrophobicContact CE1-CD1 3.79Å; F104-L122 HydrophobicContact CE1-CG 4.23Å; L120-L122 HydrophobicContact CD2-CD1 4.13Å; L120-L122 HydrophobicContact CD2-CD2 3.64Å; L120-L122 HydrophobicContact CD2-CG 3.77Å; L120-L122 HydrophobicContact CG-CD2 4.36Å; L120-L122 HydrophobicContact CG-CG 4.45Å; L122-V148 HydrophobicContact CD1-CB 4.44Å; L122-V148 HydrophobicContact CD1-CG2 3.51Å
123	S	80.9	Confident	64.4	Low	12 Å²	12	73.8 Å²	73.8	8%	0.084	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.6	171.6	-178.6	0	0	0	0	108.9	V100 H101 V132	V100-S123 CarbonylContact O-C 3.51Å; V100-S123 WeakPolarHBondContact O-CA 3.21Å; H101-S123 PolarHBondContact CE1-OG 3.35Å; H101-S123 WeakPolarHBondContact ND1-CB 3.11Å; H101-S123 PolarHBondContact ND1-OG 2.98Å; H101-S123 VanDerWaalsContact ND1-OG 3.08Å; S123-V132 VanDerWaalsContact O-CG1 3.26Å; S123-V132 WeakPolarHBondContact O-CG1 3.28Å
124	A	75	Confident	62	Low	5 Å²	5	75.6 Å²	75.6	4%	0.041	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.3	174.1	0	0	0	0	0	108.6	S99 V100 V130 V132	S99-A124 CarbonylContact C-O 3.55Å; S99-A124 WeakPolarHBondContact CA-O 3.42Å; S99-A124 WeakPolarHBondContact CB-O 3.22Å; V100-A124 HydrophobicContact CB-CB 4.43Å; V100-A124 PolarHBondContact N-O 3.34Å; V100-A124 PolarHBondContact O-N 2.68Å; A124-V130 HydrophobicContact CB-CG1 4.12Å; A124-V132 HydrophobicContact CB-CB 3.91Å; A124-V132 HydrophobicContact CB-CG1 3.75Å; A124-V132 HydrophobicContact CB-CG2 3.55Å
125	R	73.7	Confident	59.3	Low	134 Å²	134	81.4 Å²	81.4	51%	0.506	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.2	168.2	-153.3	176.1	-149.8	150.3	14.1	109.5	D98 N127	D98-R125 CarbonylContact O-C 3.51Å; D98-R125 WeakPolarHBondContact O-CA 3.33Å; D98-R125 WeakPolarHBondContact O-CG 2.91Å; D98-R125 IonicContact OD1-CZ 2.86Å; D98-R125 IonicContact OD1-NE 3.92Å; D98-R125 PolarHBondContact OD1-NE 2.82Å; D98-R125 IonicContact OD1-NH2 3.57Å; D98-R125 PolarHBondContact OD1-NH2 2.84Å; D98-R125 IonicContact OD2-NE 2.72Å; D98-R125 IonicContact OD2-NH2 3.49Å; D98-R125 PolarHBondContact OD2-NH2 3.03Å; R125-N127 PolarHBondContact O-N 2.94Å
126	A	62.4	Low	57	Low	33 Å²	33	81.4 Å²	81.4	27%	0.273	43%	0.428	S	S	.	.			trans	-84.6	63.9	-177.5	0	0	0	0	0	111.2	V97 D98 A128 V130	V97-A126 WeakPolarHBondContact O-CB 3.41Å; D98-A126 PolarHBondContact O-N 2.93Å; A126-A128 PolarHBondContact O-N 2.91Å; A126-A128 VanDerWaalsContact O-N 3.16Å; A126-V130 HydrophobicContact CB-CG2 4.12Å
127	N	51.8	Low	54.9	Low	124 Å²	124	85.1 Å²	85.1	66%	0.663	45%	0.45	S	S	*	.	S	Bend	trans	-80.4	98.3	165.7	-74.8	1.1	0	0	0	108	R125	R125-N127 PolarHBondContact O-N 2.94Å
128	A	35.8	Very low	53.2	Low	106 Å²	106	82.6 Å²	82.6	88%	0.876	43%	0.434	S	S	*	.	S	Bend	trans	48.8	73.4	168.5	0	0	0	0	0	115.2	A126	A126-A128 PolarHBondContact O-N 2.91Å; A126-A128 VanDerWaalsContact O-N 3.16Å
129	G	34.9	Very low	50.9	Low	61 Å²	61	92.5 Å²	92.5	63%	0.629	46%	0.46	S	S	*	.	S	Bend	trans	86.6	107.7	-175.6	0	0	0	0	0	109.6	H131	G129-H131 PolarHBondContact O-N 3.04Å
130	V	35.2	Very low	48.7	Very low	37 Å²	37	94.8 Å²	94.8	22%	0.224	47%	0.47	C	S	.	.			trans	-54.5	93.2	-165.8	-177.5	0	0	0	0	111.7	A124 A126 V132	A124-V130 HydrophobicContact CB-CG1 4.12Å; A126-V130 HydrophobicContact CB-CG2 4.12Å; V130-V132 HydrophobicContact CG1-CG2 4.36Å
131	H	26.9	Very low	46.2	Very low	132 Å²	132	94.5 Å²	94.5	61%	0.611	47%	0.473	S	S	*	.			trans	-102.6	103.1	169	-133.1	-46	0	0	0	106.1	G129 R133	G129-H131 PolarHBondContact O-N 3.04Å; H131-R133 PolarHBondContact O-N 2.92Å
132	V	32.2	Very low	43.6	Very low	41 Å²	41	99.4 Å²	99.4	25%	0.248	50%	0.502	C	S	.	.			trans	-62.5	100.3	-175.3	-177.6	0	0	0	0	110	S123 A124 V130 V148	S123-V132 VanDerWaalsContact O-CG1 3.26Å; S123-V132 WeakPolarHBondContact O-CG1 3.28Å; A124-V132 HydrophobicContact CB-CB 3.91Å; A124-V132 HydrophobicContact CB-CG1 3.75Å; A124-V132 HydrophobicContact CB-CG2 3.55Å; V130-V132 HydrophobicContact CG1-CG2 4.36Å; V132-V148 WeakPolarHBondContact CG2-O 3.36Å
133	R	31.9	Very low	41.5	Very low	217 Å²	217	103.2 Å²	103.2	82%	0.819	52%	0.519	S	S	*	.			trans	-88.4	119.1	169.7	-160.3	178.2	-157.9	-170	5.6	109.4	H131 E135	H131-R133 PolarHBondContact O-N 2.92Å; R133-E135 PolarHBondContact O-N 2.88Å
134	R	35.4	Very low	39.3	Very low	118 Å²	118	104.5 Å²	104.5	45%	0.445	52%	0.523	S	S	.	.			trans	-60.1	120.7	-176.8	177.6	-176.9	-86.3	-151.3	-8.8	113.2	I136 F144	R134-I136 HydrophobicContact CG-CB 4.5Å; R134-I136 HydrophobicContact CG-CD1 3.73Å; R134-I136 HydrophobicContact CG-CG1 3.52Å; R134-I136 VanDerWaalsContact CZ-CD1 3.44Å; R134-F144 PolarHBondContact NH1-O 2.58Å; R134-F144 PolarHBondContact NH2-O 3.11Å
135	E	29.1	Very low	37.6	Very low	144 Å²	144	115.1 Å²	115.1	67%	0.673	56%	0.562	S	S	*	*			trans	-115.1	106.9	151.8	-81.1	-173.1	167.5	0	0	108.3	R133	R133-E135 PolarHBondContact O-N 2.88Å
136	I	31.5	Very low	36	Very low	66 Å²	66	110 Å²	110	34%	0.338	55%	0.547	S	S	.	.			trans	-95.8	109.1	178.2	-70.5	174.7	0	0	0	109.3	R134 S138 A141	R134-I136 HydrophobicContact CG-CB 4.5Å; R134-I136 HydrophobicContact CG-CD1 3.73Å; R134-I136 HydrophobicContact CG-CG1 3.52Å; R134-I136 VanDerWaalsContact CZ-CD1 3.44Å; I136-S138 VanDerWaalsContact CG2-N 3.28Å; I136-A141 HydrophobicContact CB-CB 4.13Å; I136-A141 HydrophobicContact CD1-CB 4.09Å; I136-A141 HydrophobicContact CG2-CB 3.54Å
137	L	30.1	Very low	34.7	Very low	151 Å²	151	113.5 Å²	113.5	79%	0.791	56%	0.56	S	S	*	*			trans	-93.2	74.9	155	-79.9	161.3	0	0	0	108.4
138	S	36.2	Very low	34.2	Very low	59 Å²	59	108 Å²	108	41%	0.413	53%	0.531	S	S	.	.	S	Bend	trans	-155	136.1	171	172.2	0	0	0	0	110.5	I136 Y140	I136-S138 VanDerWaalsContact CG2-N 3.28Å; S138-Y140 PolarHBondContact O-N 2.78Å
139	R	34.7	Very low	34.4	Very low	246 Å²	246	109.7 Å²	109.7	93%	0.928	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	0.2	-179	-86.7	-175.9	-161.8	-148.5	3.6	115.4
140	Y	35.8	Very low	34.7	Very low	181 Å²	181	107.7 Å²	107.7	71%	0.71	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	35.8	-177.1	-63.2	-80.8	0	0	0	112.7	S138 N142	S138-Y140 PolarHBondContact O-N 2.78Å; Y140-N142 VanDerWaalsContact C-N 3.27Å; Y140-N142 PolarHBondContact O-N 2.79Å; Y140-N142 VanDerWaalsContact O-N 3.15Å
141	A	29.9	Very low	34.9	Very low	33 Å²	33	110.8 Å²	110.8	27%	0.273	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-7.7	-165.5	0	0	0	0	0	116.9	I136	I136-A141 HydrophobicContact CB-CB 4.13Å; I136-A141 HydrophobicContact CD1-CB 4.09Å; I136-A141 HydrophobicContact CG2-CB 3.54Å
142	N	30.6	Very low	35.5	Very low	157 Å²	157	106.9 Å²	106.9	84%	0.84	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-11.7	-160.9	-63.6	-6	0	0	0	115.5	Y140	Y140-N142 VanDerWaalsContact C-N 3.27Å; Y140-N142 PolarHBondContact O-N 2.79Å; Y140-N142 VanDerWaalsContact O-N 3.15Å
143	E	37	Very low	35.6	Very low	111 Å²	111	111.9 Å²	111.9	52%	0.519	51%	0.505	S	S	.	.	S	Bend	trans	-113	-17.4	-169.2	-81.1	-176.8	160.9	0	0	116.5	R115	R115-E143 IonicContact CZ-OE2 2.68Å; R115-E143 IonicContact NH1-OE2 2.84Å; R115-E143 PolarHBondContact NH1-OE2 3.3Å; R115-E143 IonicContact NH2-OE1 3.29Å; R115-E143 IonicContact NH2-OE2 3.8Å; R115-E143 PolarHBondContact NH2-OE2 3.12Å
144	F	34.6	Very low	35.9	Very low	38 Å²	38	105.9 Å²	105.9	17%	0.167	49%	0.488	C	S	.	.			trans	-91.5	135.7	-173.3	-71.7	-87	0	0	0	112.7	E30 H116 R134	E30-F144 HydrophobicContact CB-CE1 3.64Å; E30-F144 HydrophobicContact CB-CZ 4.18Å; E30-F144 HydrophobicContact CG-CD1 4.02Å; E30-F144 HydrophobicContact CG-CE1 3.55Å; E30-F144 HydrophobicContact CG-CZ 4.21Å; H116-F144 AromaticContact CD2-CE2 3.67Å; H116-F144 AromaticContact CD2-CZ 3.61Å; R134-F144 PolarHBondContact NH1-O 2.58Å; R134-F144 PolarHBondContact NH2-O 3.11Å
145	R	39.7	Very low	35.8	Very low	228 Å²	228	108 Å²	108	86%	0.86	50%	0.501	S	S	*	.			trans	-107.3	110.2	157	-84.2	-174.2	177.1	-153.5	0.6	107.3	T28	T28-R145 PolarHBondContact OG1-O 3.04Å
146	S	39.6	Very low	36	Very low	27 Å²	27	107.7 Å²	107.7	19%	0.189	50%	0.503	C	S	.	.			trans	-130.4	115.1	172.4	-154.6	0	0	0	0	110.3	T28	T28-S146 PolarHBondContact N-OG 2.01Å; T28-S146 WeakPolarHBondContact O-CB 3.09Å; T28-S146 PolarHBondContact O-OG 3.33Å; T28-S146 VanDerWaalsContact OG1-CA 3.28Å; T28-S146 WeakPolarHBondContact OG1-CA 3.45Å; T28-S146 PolarHBondContact OG1-OG 2.75Å; T28-S146 VanDerWaalsContact OG1-OG 3.05Å
147	I	36	Very low	36.2	Very low	107 Å²	107	109.8 Å²	109.8	55%	0.549	52%	0.524	S	S	.	.			trans	-98.8	99.2	175.1	-60.3	170.7	0	0	0	105.3	W149	I147-W149 HydrophobicContact CG2-CD2 4.37Å; I147-W149 HydrophobicContact CG2-CZ2 3.97Å; I147-W149 VanDerWaalsContact CG2-NE1 3.35Å
148	V	41.4	Very low	37	Very low	9 Å²	9	104.5 Å²	104.5	6%	0.055	50%	0.498	C	S	.	.			trans	-90.2	112.8	173.9	177.9	0	0	0	0	108.2	F25 N26 V27 L122 V132 V150	F25-V148 HydrophobicContact CB-CG1 4.39Å; F25-V148 HydrophobicContact CD1-CG1 4.38Å; N26-V148 WeakPolarHBondContact O-CA 2.77Å; V27-V148 HydrophobicContact CG2-CG2 4.34Å; L122-V148 HydrophobicContact CD1-CB 4.44Å; L122-V148 HydrophobicContact CD1-CG2 3.51Å; V132-V148 WeakPolarHBondContact CG2-O 3.36Å; V148-V150 HydrophobicContact CG1-CG2 3.86Å
149	W	38.8	Very low	37.5	Very low	141 Å²	141	109.1 Å²	109.1	53%	0.534	51%	0.513	S	S	.	.			trans	-86.8	116.9	167.1	-61.2	96.9	0	0	0	107.9	I147	I147-W149 HydrophobicContact CG2-CD2 4.37Å; I147-W149 HydrophobicContact CG2-CZ2 3.97Å; I147-W149 VanDerWaalsContact CG2-NE1 3.35Å
150	V	42.8	Very low	38.3	Very low	18 Å²	18	98.8 Å²	98.8	11%	0.109	48%	0.478	C	S	.	.	B	Isolated β-bridge	trans	-102.9	108.4	169.8	-165.2	0	0	0	0	107.3	I23 F25 V148 F152	I23-V150 HydrophobicContact CG2-CG1 4.28Å; F25-V150 HydrophobicContact CD1-CG1 4.42Å; F25-V150 HydrophobicContact CD1-CG2 4.06Å; F25-V150 HydrophobicContact CE1-CG1 4.11Å; F25-V150 HydrophobicContact CE1-CG2 4.25Å; V148-V150 HydrophobicContact CG1-CG2 3.86Å; V150-F152 HydrophobicContact CB-CD2 4.4Å; V150-F152 HydrophobicContact CB-CE2 3.79Å; V150-F152 HydrophobicContact CB-CZ 4.15Å; V150-F152 HydrophobicContact CG1-CD1 4.42Å; V150-F152 HydrophobicContact CG1-CD2 3.96Å; V150-F152 HydrophobicContact CG1-CE1 3.81Å; V150-F152 HydrophobicContact CG1-CE2 3.31Å; V150-F152 HydrophobicContact CG1-CG 4.47Å; V150-F152 HydrophobicContact CG1-CZ 3.23Å
151	I	38.7	Very low	39	Very low	102 Å²	102	91.1 Å²	91.1	52%	0.523	45%	0.451	S	S	.	.			trans	-92.1	111.9	175.5	-57.6	174.9	0	0	0	107.1	F153	I151-F153 HydrophobicContact CG2-CD2 3.97Å; I151-F153 HydrophobicContact CG2-CE2 3.44Å; I151-F153 VanDerWaalsContact CG2-CE2 3.44Å; I151-F153 HydrophobicContact CG2-CZ 3.91Å
152	F	39.7	Very low	39.9	Very low	51 Å²	51	93 Å²	93	22%	0.224	47%	0.467	C	S	.	.			trans	-96.4	121.7	172.8	-68	-74.4	0	0	0	109.8	I23 F78 V100 V150 L154	I23-F152 HydrophobicContact CD1-CD1 4.41Å; I23-F152 HydrophobicContact CD1-CE1 4.03Å; I23-F152 HydrophobicContact CG1-CD1 4.18Å; I23-F152 HydrophobicContact CG1-CE1 4.1Å; F78-F152 HydrophobicContact CE1-CD1 4.44Å; F78-F152 AromaticContact CE1-CE1 3.4Å; F78-F152 HydrophobicContact CE1-CE1 3.4Å; F78-F152 AromaticContact CE1-CZ 3.48Å; F78-F152 HydrophobicContact CE1-CZ 3.48Å; F78-F152 VanDerWaalsContact CE1-CZ 3.48Å; F78-F152 AromaticContact CZ-CE1 3.66Å; F78-F152 HydrophobicContact CZ-CE1 3.66Å; F78-F152 HydrophobicContact CZ-CZ 4.07Å; V100-F152 HydrophobicContact CG1-CZ 4.44Å; V100-F152 HydrophobicContact CG2-CE2 4.36Å; V100-F152 HydrophobicContact CG2-CZ 4.2Å; V150-F152 HydrophobicContact CB-CD2 4.4Å; V150-F152 HydrophobicContact CB-CE2 3.79Å; V150-F152 HydrophobicContact CB-CZ 4.15Å; V150-F152 HydrophobicContact CG1-CD1 4.42Å; V150-F152 HydrophobicContact CG1-CD2 3.96Å; V150-F152 HydrophobicContact CG1-CE1 3.81Å; V150-F152 HydrophobicContact CG1-CE2 3.31Å; V150-F152 HydrophobicContact CG1-CG 4.47Å; V150-F152 HydrophobicContact CG1-CZ 3.23Å; F152-L154 HydrophobicContact CB-CD1 4.49Å; F152-L154 HydrophobicContact CB-CG 4.29Å
153	F	34.4	Very low	40.8	Very low	146 Å²	146	88.8 Å²	88.8	64%	0.64	45%	0.453	S	S	*	.			trans	-102	79	161.2	-68.3	-81.3	0	0	0	107.6	I151	I151-F153 HydrophobicContact CG2-CD2 3.97Å; I151-F153 HydrophobicContact CG2-CE2 3.44Å; I151-F153 VanDerWaalsContact CG2-CE2 3.44Å; I151-F153 HydrophobicContact CG2-CZ 3.91Å
154	L	38.2	Very low	41.3	Very low	90 Å²	90	87.4 Å²	87.4	47%	0.471	45%	0.45	S	S	.	.			trans	-83.5	118.2	172.9	-71.1	169.6	0	0	0	108.5	L19 F152	L19-L154 HydrophobicContact CD1-CD2 3.68Å; L19-L154 HydrophobicContact CG-CD2 3.71Å; F152-L154 HydrophobicContact CB-CD1 4.49Å; F152-L154 HydrophobicContact CB-CG 4.29Å
155	K	32.9	Very low	42.1	Very low	163 Å²	163	88 Å²	88	71%	0.709	45%	0.454	S	S	*	.			trans	-108.1	95.8	172.5	-157.4	176.8	-175.6	-177.4	0	106.9
156	N	33.6	Very low	42.5	Very low	137 Å²	137	84.9 Å²	84.9	73%	0.733	45%	0.451	S	S	*	.	S	Bend	trans	105.3	148.5	170.5	-53.1	-21.7	0	0	0	117.5
157	S	36.2	Very low	43.1	Very low	111 Å²	111	88.8 Å²	88.8	78%	0.776	47%	0.474	S	S	*	.			trans	-71.1	147.1	-166.9	44.5	0	0	0	0	114.3
158	V	46	Very low	44	Very low	40 Å²	40	87.6 Å²	87.6	24%	0.242	48%	0.476	C	S	.	.			trans	-73	128.8	171.9	-178.7	0	0	0	0	108.3	I17 F80 W95	I17-V158 HydrophobicContact CG1-CG1 4.39Å; F80-V158 HydrophobicContact CD1-CG2 4.42Å; F80-V158 HydrophobicContact CE1-CG2 4.1Å; W95-V158 HydrophobicContact CB-CB 4.38Å; W95-V158 HydrophobicContact CB-CG1 4.29Å
159	E	46.8	Very low	44.7	Very low	156 Å²	156	92 Å²	92	73%	0.729	50%	0.499	S	S	*	.			trans	-111.8	97.1	175.7	-153.1	169	-150.8	0	0	106.1
160	S	50.9	Low	46.2	Very low	28 Å²	28	90.2 Å²	90.2	20%	0.196	50%	0.499	C	S	.	.			trans	-59.4	145.8	-169	43.3	0	0	0	0	113.5	W95 A162	W95-S160 VanDerWaalsContact CE2-CB 3.42Å; W95-S160 PolarHBondContact NE1-OG 2.78Å; S160-A162 PolarHBondContact O-N 3.37Å; S160-A162 VanDerWaalsContact O-N 3.11Å
161	C	50.7	Low	47.8	Very low	21 Å²	21	93.6 Å²	93.6	14%	0.142	52%	0.52	C	S	.	.			trans	-54.5	119	174.5	-57.1	0	0	0	0	110.1	C16 A163 D164	C16-C161 HydrophobicContact CB-CB 3.99Å; C16-C161 WeakPolarHBondContact CB-SG 3.47Å; C16-C161 VanDerWaalsContact SG-CA 3.6Å; C16-C161 WeakPolarHBondContact SG-CB 3.43Å; C16-C161 CovalentContact SG-SG 2.01Å; C16-C161 PolarHBondContact SG-SG 3.33Å; C161-A163 HydrophobicContact CB-CB 4.43Å; C161-A163 PolarHBondContact O-N 3.44Å; C161-D164 PolarHBondContact O-N 3.05Å
162	A	50.1	Low	49.7	Very low	73 Å²	73	92.5 Å²	92.5	60%	0.603	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-61.5	-12.1	173.3	0	0	0	0	0	113.6	S160 D164 I165	S160-A162 PolarHBondContact O-N 3.37Å; S160-A162 VanDerWaalsContact O-N 3.11Å; A162-D164 PolarHBondContact O-N 3.4Å; A162-I165 PolarHBondContact O-N 3.02Å; A162-I165 VanDerWaalsContact O-N 3.12Å
163	A	48.5	Very low	51.7	Low	67 Å²	67	95.5 Å²	95.5	55%	0.554	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-60.4	-28.1	179.4	0	0	0	0	0	113.8	C161	C161-A163 HydrophobicContact CB-CB 4.43Å; C161-A163 PolarHBondContact O-N 3.44Å
164	D	47.7	Very low	54.1	Low	83 Å²	83	93.3 Å²	93.3	44%	0.444	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-91.7	-8.2	177.2	-82.7	-19.6	0	0	0	114	S63 H64 C161 A162	S63-D164 WeakPolarHBondContact CB-OD2 3.43Å; S63-D164 PolarHBondContact OG-OD2 3.36Å; H64-D164 IonicContact CD2-OD2 2.76Å; H64-D164 IonicContact CE1-OD2 3.25Å; H64-D164 IonicContact NE2-OD2 3.92Å; H64-D164 PolarHBondContact NE2-OD2 2.84Å; C161-D164 PolarHBondContact O-N 3.05Å; A162-D164 PolarHBondContact O-N 3.4Å
165	I	50.9	Low	56.4	Low	51 Å²	51	93.7 Å²	93.7	26%	0.262	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-89.7	-8.7	-175	-55.3	175.9	0	0	0	112.2	A162 T167 S168	A162-I165 PolarHBondContact O-N 3.02Å; A162-I165 VanDerWaalsContact O-N 3.12Å; I165-T167 PolarHBondContact O-N 2.85Å; I165-S168 PolarHBondContact O-N 3.48Å
166	M	47.7	Very low	59.1	Low	161 Å²	161	87.9 Å²	87.9	79%	0.793	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-61.8	-5.7	179.3	-69.2	-150.6	159.1	0	0	115.1
167	T	53.6	Low	61.8	Low	110 Å²	110	83.8 Å²	83.8	68%	0.675	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-86.4	-26.6	173	56.7	0	0	0	0	114.1	I165	I165-T167 PolarHBondContact O-N 2.85Å
168	S	54.5	Low	64.4	Low	82 Å²	82	81.3 Å²	81.3	57%	0.573	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-28.3	-171.3	-155.5	0	0	0	0	113.7	I165 P172	I165-S168 PolarHBondContact O-N 3.48Å; S168-P172 WeakPolarHBondContact O-CD 3.42Å
169	D	55.5	Low	66.6	Low	102 Å²	102	84.2 Å²	84.2	55%	0.545	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-14.8	178.1	-66.6	-25.5	0	0	0	113.1	V171 P172 I173	D169-V171 VanDerWaalsContact C-N 3.32Å; D169-V171 PolarHBondContact O-N 2.87Å; D169-P172 WeakPolarHBondContact O-CD 3.33Å; D169-P172 WeakPolarHBondContact O-CG 3.37Å; D169-I173 HydrophobicContact CB-CD1 4.44Å; D169-I173 WeakPolarHBondContact O-CD1 3.33Å; D169-I173 VanDerWaalsContact O-CG1 3.23Å; D169-I173 WeakPolarHBondContact O-CG1 3.33Å; D169-I173 PolarHBondContact O-N 3.25Å
170	L	71.2	Confident	68.8	Low	103 Å²	103	79.3 Å²	79.3	54%	0.539	49%	0.489	S	S	.	.	H	α-helix	trans	-65.2	-37.8	-178.2	-165	75.1	0	0	0	111.7	I174	L170-I174 HydrophobicContact CD1-CD1 4.47Å; L170-I174 HydrophobicContact CD2-CD1 4.13Å; L170-I174 HydrophobicContact CG-CD1 3.76Å; L170-I174 HydrophobicContact CG-CG1 4.45Å; L170-I174 WeakPolarHBondContact O-CB 3.21Å; L170-I174 WeakPolarHBondContact O-CG1 3.46Å; L170-I174 PolarHBondContact O-N 3.36Å
171	V	76.5	Confident	70.8	Confident	89 Å²	89	81.7 Å²	81.7	54%	0.539	50%	0.499	S	S	.	.	H	α-helix	trans	-65.9	-53	-177.4	-179.4	0	0	0	0	112.4	D169 I173 I174 I175	D169-V171 VanDerWaalsContact C-N 3.32Å; D169-V171 PolarHBondContact O-N 2.87Å; V171-I173 VanDerWaalsContact C-N 3.3Å; V171-I173 PolarHBondContact O-N 3.39Å; V171-I174 PolarHBondContact O-N 3.08Å; V171-I175 HydrophobicContact CG1-CD1 3.81Å; V171-I175 WeakPolarHBondContact O-CG1 3.38Å; V171-I175 PolarHBondContact O-N 3.35Å
172	P	77.6	Confident	72.8	Confident	78 Å²	78	86 Å²	86	51%	0.506	52%	0.52	S	S	.	.	H	α-helix	trans	-64.1	-32.4	177.9	21.4	-30.7	0	0	0	113	S168 D169 G176	S168-P172 WeakPolarHBondContact O-CD 3.42Å; D169-P172 WeakPolarHBondContact O-CD 3.33Å; D169-P172 WeakPolarHBondContact O-CG 3.37Å; P172-G176 PolarHBondContact O-N 3Å
173	I	82.1	Confident	74.8	Confident	115 Å²	115	87.4 Å²	87.4	59%	0.59	52%	0.516	S	S	*	.	H	α-helix	trans	-67.3	-44.2	176.3	-65.6	169.1	0	0	0	111.2	D169 V171 G176 A177	D169-I173 HydrophobicContact CB-CD1 4.44Å; D169-I173 WeakPolarHBondContact O-CD1 3.33Å; D169-I173 VanDerWaalsContact O-CG1 3.23Å; D169-I173 WeakPolarHBondContact O-CG1 3.33Å; D169-I173 PolarHBondContact O-N 3.25Å; V171-I173 VanDerWaalsContact C-N 3.3Å; V171-I173 PolarHBondContact O-N 3.39Å; I173-G176 PolarHBondContact O-N 2.89Å; I173-A177 WeakPolarHBondContact O-CB 3.23Å; I173-A177 PolarHBondContact O-N 2.9Å
174	I	84.5	Confident	76.9	Confident	100 Å²	100	88.6 Å²	88.6	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-43.9	177.7	-70.8	168.9	0	0	0	110.8	L170 V171 A177 A178	L170-I174 HydrophobicContact CD1-CD1 4.47Å; L170-I174 HydrophobicContact CD2-CD1 4.13Å; L170-I174 HydrophobicContact CG-CD1 3.76Å; L170-I174 HydrophobicContact CG-CG1 4.45Å; L170-I174 WeakPolarHBondContact O-CB 3.21Å; L170-I174 WeakPolarHBondContact O-CG1 3.46Å; L170-I174 PolarHBondContact O-N 3.36Å; V171-I174 PolarHBondContact O-N 3.08Å; I174-A177 PolarHBondContact O-N 3.4Å; I174-A178 WeakPolarHBondContact O-CB 3.45Å; I174-A178 PolarHBondContact O-N 3.07Å
175	I	87.7	Confident	78.8	Confident	98 Å²	98	88.8 Å²	88.8	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-64.4	-43.2	178.2	-65.7	169.3	0	0	0	110.5	V171 A178 L179	V171-I175 HydrophobicContact CG1-CD1 3.81Å; V171-I175 WeakPolarHBondContact O-CG1 3.38Å; V171-I175 PolarHBondContact O-N 3.35Å; I175-A178 PolarHBondContact O-N 3Å; I175-L179 HydrophobicContact CG2-CD1 4.18Å; I175-L179 PolarHBondContact O-N 3.41Å; I175-L179 VanDerWaalsContact O-N 3.07Å
176	G	88.1	Confident	80.7	Confident	40 Å²	40	89.9 Å²	89.9	41%	0.412	53%	0.529	S	S	.	.	H	α-helix	trans	-61.3	-44.6	176.2	0	0	0	0	0	112.8	P172 I173 L179 A180	P172-G176 PolarHBondContact O-N 3Å; I173-G176 PolarHBondContact O-N 2.89Å; G176-L179 PolarHBondContact O-N 3.33Å; G176-A180 WeakPolarHBondContact O-CB 3.39Å; G176-A180 PolarHBondContact O-N 3.49Å
177	A	90	Very high	82.6	Confident	51 Å²	51	86.5 Å²	86.5	42%	0.421	52%	0.517	S	S	.	.	H	α-helix	trans	-64.5	-41.3	177.7	0	0	0	0	0	112.3	I173 I174 A180 I181	I173-A177 WeakPolarHBondContact O-CB 3.23Å; I173-A177 PolarHBondContact O-N 2.9Å; I174-A177 PolarHBondContact O-N 3.4Å; A177-A180 PolarHBondContact O-N 3.13Å; A177-I181 WeakPolarHBondContact O-CG1 3.37Å; A177-I181 PolarHBondContact O-N 3.26Å; A177-I181 VanDerWaalsContact O-N 3.12Å
178	A	91.7	Very high	84.1	Confident	60 Å²	60	88 Å²	88	50%	0.496	52%	0.515	S	S	.	.	H	α-helix	trans	-63.8	-42.7	177.5	0	0	0	0	0	112.4	I174 I175 I181 L182	I174-A178 WeakPolarHBondContact O-CB 3.45Å; I174-A178 PolarHBondContact O-N 3.07Å; I175-A178 PolarHBondContact O-N 3Å; A178-I181 PolarHBondContact O-N 3.06Å; A178-L182 PolarHBondContact O-N 3.45Å; A178-L182 VanDerWaalsContact O-N 3.13Å
179	L	93.2	Very high	85.3	Confident	100 Å²	100	90.9 Å²	90.9	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-64.7	-42	176	-89.8	161.3	0	0	0	112.3	I175 G176 I181 L182 I183	I175-L179 HydrophobicContact CG2-CD1 4.18Å; I175-L179 PolarHBondContact O-N 3.41Å; I175-L179 VanDerWaalsContact O-N 3.07Å; G176-L179 PolarHBondContact O-N 3.33Å; L179-I181 PolarHBondContact O-N 3.48Å; L179-L182 PolarHBondContact O-N 3.12Å; L179-I183 WeakPolarHBondContact O-CG1 3.49Å; L179-I183 PolarHBondContact O-N 3.45Å; L179-I183 VanDerWaalsContact O-N 3.08Å
180	A	92.7	Very high	86.5	Confident	54 Å²	54	91.6 Å²	91.6	45%	0.446	52%	0.52	S	S	.	.	H	α-helix	trans	-61.3	-43	178	0	0	0	0	0	112	G176 A177 L182 I183 V184	G176-A180 WeakPolarHBondContact O-CB 3.39Å; G176-A180 PolarHBondContact O-N 3.49Å; A177-A180 PolarHBondContact O-N 3.13Å; A180-L182 PolarHBondContact O-N 3.18Å; A180-I183 PolarHBondContact O-N 2.96Å; A180-V184 WeakPolarHBondContact O-CG2 3.42Å; A180-V184 PolarHBondContact O-N 3.49Å
181	I	93	Very high	86.7	Confident	78 Å²	78	89.4 Å²	89.4	40%	0.4	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-42.7	176.8	-67	165.6	0	0	0	110.8	A177 A178 L179 I183 V184 V185 M222	A177-I181 WeakPolarHBondContact O-CG1 3.37Å; A177-I181 PolarHBondContact O-N 3.26Å; A177-I181 VanDerWaalsContact O-N 3.12Å; A178-I181 PolarHBondContact O-N 3.06Å; L179-I181 PolarHBondContact O-N 3.48Å; I181-I183 VanDerWaalsContact C-N 3.34Å; I181-I183 PolarHBondContact O-N 3.39Å; I181-V184 PolarHBondContact O-N 3.08Å; I181-V185 WeakPolarHBondContact O-CG2 3.34Å; I181-V185 PolarHBondContact O-N 2.91Å; I181-V185 VanDerWaalsContact O-N 3.08Å; I181-M222 HydrophobicContact CD1-CE 3.99Å; I181-M222 HydrophobicContact CD1-SD 3.63Å; I181-M222 HydrophobicContact CG1-CE 4.45Å
182	L	92.7	Very high	86.2	Confident	110 Å²	110	87.3 Å²	87.3	58%	0.576	51%	0.514	S	S	*	.	H	α-helix	trans	-60.5	-43.2	179.2	-168.5	115.9	0	0	0	111.8	A178 L179 A180 V184 V185 V186	A178-L182 PolarHBondContact O-N 3.45Å; A178-L182 VanDerWaalsContact O-N 3.13Å; L179-L182 PolarHBondContact O-N 3.12Å; A180-L182 PolarHBondContact O-N 3.18Å; L182-V184 PolarHBondContact O-N 3.4Å; L182-V185 PolarHBondContact O-N 3.03Å; L182-V186 WeakPolarHBondContact O-CG2 3.45Å; L182-V186 PolarHBondContact O-N 3.43Å
183	I	92.5	Very high	85.3	Confident	103 Å²	103	90 Å²	90	53%	0.528	52%	0.518	S	S	.	.	H	α-helix	trans	-61.7	-45.3	177.5	-67.4	167.6	0	0	0	111	L179 A180 I181 V185 V186 V187	L179-I183 WeakPolarHBondContact O-CG1 3.49Å; L179-I183 PolarHBondContact O-N 3.45Å; L179-I183 VanDerWaalsContact O-N 3.08Å; A180-I183 PolarHBondContact O-N 2.96Å; I181-I183 VanDerWaalsContact C-N 3.34Å; I181-I183 PolarHBondContact O-N 3.39Å; I183-V185 VanDerWaalsContact C-N 3.31Å; I183-V185 PolarHBondContact O-N 3.19Å; I183-V186 PolarHBondContact O-N 2.97Å; I183-V187 HydrophobicContact CG2-CG2 4.36Å; I183-V187 WeakPolarHBondContact O-CG2 3.35Å; I183-V187 PolarHBondContact O-N 3.27Å
184	V	91	Very high	83.9	Confident	93 Å²	93	89 Å²	89	56%	0.564	52%	0.521	S	S	*	.	H	α-helix	trans	-60.4	-42.4	179	173.5	0	0	0	0	111.1	A180 I181 L182 V187 F188	A180-V184 WeakPolarHBondContact O-CG2 3.42Å; A180-V184 PolarHBondContact O-N 3.49Å; I181-V184 PolarHBondContact O-N 3.08Å; L182-V184 PolarHBondContact O-N 3.4Å; V184-V187 PolarHBondContact O-N 3.43Å; V184-F188 WeakPolarHBondContact O-CB 3.41Å; V184-F188 PolarHBondContact O-N 3.44Å
185	V	88.2	Confident	82.3	Confident	87 Å²	87	89.9 Å²	89.9	53%	0.527	53%	0.527	S	S	.	.	H	α-helix	trans	-62.8	-44.1	177.6	173.3	0	0	0	0	111.2	I181 L182 I183 F188 F189	I181-V185 WeakPolarHBondContact O-CG2 3.34Å; I181-V185 PolarHBondContact O-N 2.91Å; I181-V185 VanDerWaalsContact O-N 3.08Å; L182-V185 PolarHBondContact O-N 3.03Å; I183-V185 VanDerWaalsContact C-N 3.31Å; I183-V185 PolarHBondContact O-N 3.19Å; V185-F188 PolarHBondContact O-N 3.42Å; V185-F189 WeakPolarHBondContact O-CB 3.37Å; V185-F189 PolarHBondContact O-N 3.23Å
186	V	89.8	Confident	80.4	Confident	73 Å²	73	90.9 Å²	90.9	44%	0.442	53%	0.533	S	S	.	.	H	α-helix	trans	-64.1	-44.8	179.1	172.9	0	0	0	0	111.4	L182 I183 F188 F189 L190	L182-V186 WeakPolarHBondContact O-CG2 3.45Å; L182-V186 PolarHBondContact O-N 3.43Å; I183-V186 PolarHBondContact O-N 2.97Å; V186-F188 VanDerWaalsContact C-N 3.32Å; V186-F188 PolarHBondContact O-N 3.37Å; V186-F189 PolarHBondContact O-N 3.39Å; V186-L190 HydrophobicContact CG1-CD1 3.86Å; V186-L190 HydrophobicContact CG1-CG 4.28Å; V186-L190 WeakPolarHBondContact O-CG 3.43Å; V186-L190 PolarHBondContact O-N 3.08Å
187	V	88.2	Confident	78.4	Confident	90 Å²	90	100.9 Å²	100.9	55%	0.545	56%	0.558	S	S	.	*	H	α-helix	trans	-61.2	-42.9	177.5	173	0	0	0	0	110.9	I183 V184 F189 L190 A191	I183-V187 HydrophobicContact CG2-CG2 4.36Å; I183-V187 WeakPolarHBondContact O-CG2 3.35Å; I183-V187 PolarHBondContact O-N 3.27Å; V184-V187 PolarHBondContact O-N 3.43Å; V187-F189 VanDerWaalsContact C-N 3.31Å; V187-F189 PolarHBondContact O-N 3.32Å; V187-L190 PolarHBondContact O-N 3.41Å; V187-A191 VanDerWaalsContact O-CB 3.27Å; V187-A191 WeakPolarHBondContact O-CB 3.47Å; V187-A191 PolarHBondContact O-N 3.24Å
188	F	85.2	Confident	76.3	Confident	143 Å²	143	102.2 Å²	102.2	63%	0.627	57%	0.569	S	S	*	*	H	α-helix	trans	-64.1	-38.1	177.5	-137.4	-87.4	0	0	0	112	V184 V185 V186 G192	V184-F188 WeakPolarHBondContact O-CB 3.41Å; V184-F188 PolarHBondContact O-N 3.44Å; V185-F188 PolarHBondContact O-N 3.42Å; V186-F188 VanDerWaalsContact C-N 3.32Å; V186-F188 PolarHBondContact O-N 3.37Å; F188-G192 PolarHBondContact O-N 3.15Å
189	F	81	Confident	73.9	Confident	142 Å²	142	104.8 Å²	104.8	62%	0.623	58%	0.583	S	S	*	*	H	α-helix	trans	-69.3	-42	178.6	-148.6	-91.6	0	0	0	112	V185 V186 V187 G192 F193	V185-F189 WeakPolarHBondContact O-CB 3.37Å; V185-F189 PolarHBondContact O-N 3.23Å; V186-F189 PolarHBondContact O-N 3.39Å; V187-F189 VanDerWaalsContact C-N 3.31Å; V187-F189 PolarHBondContact O-N 3.32Å; F189-G192 PolarHBondContact O-N 3.28Å; F189-F193 HydrophobicContact CD1-CD2 4.04Å; F189-F193 HydrophobicContact CD1-CE2 4.22Å; F189-F193 AromaticContact CE1-CD2 3.89Å; F189-F193 HydrophobicContact CE1-CD2 3.89Å; F189-F193 AromaticContact CE1-CE2 3.58Å; F189-F193 HydrophobicContact CE1-CE2 3.58Å; F189-F193 HydrophobicContact CZ-CE2 4.21Å; F189-F193 PolarHBondContact O-N 3.14Å; F189-F193 VanDerWaalsContact O-N 3.14Å
190	L	80.3	Confident	71.2	Confident	116 Å²	116	106.9 Å²	106.9	61%	0.607	59%	0.594	S	S	*	*	H	α-helix	trans	-68.7	-40.6	176.6	-68.4	175.1	0	0	0	112.3	V186 V187 G192 F193 S194	V186-L190 HydrophobicContact CG1-CD1 3.86Å; V186-L190 HydrophobicContact CG1-CG 4.28Å; V186-L190 WeakPolarHBondContact O-CG 3.43Å; V186-L190 PolarHBondContact O-N 3.08Å; V187-L190 PolarHBondContact O-N 3.41Å; L190-G192 VanDerWaalsContact C-N 3.31Å; L190-G192 PolarHBondContact O-N 3.4Å; L190-F193 PolarHBondContact O-N 3.47Å; L190-S194 PolarHBondContact O-N 3.01Å; L190-S194 VanDerWaalsContact O-N 3.15Å
191	A	75.2	Confident	68.5	Low	58 Å²	58	112.1 Å²	112.1	48%	0.479	61%	0.614	S	S	.	*	H	α-helix	trans	-65.5	-34.5	175.1	0	0	0	0	0	112.2	V187	V187-A191 VanDerWaalsContact O-CB 3.27Å; V187-A191 WeakPolarHBondContact O-CB 3.47Å; V187-A191 PolarHBondContact O-N 3.24Å
192	G	65.1	Low	65.8	Low	45 Å²	45	114.9 Å²	114.9	46%	0.464	63%	0.634	S	S	.	*	H	α-helix	trans	-65	-39.2	173	0	0	0	0	0	113.1	F188 F189 L190	F188-G192 PolarHBondContact O-N 3.15Å; F189-G192 PolarHBondContact O-N 3.28Å; L190-G192 VanDerWaalsContact C-N 3.31Å; L190-G192 PolarHBondContact O-N 3.4Å
193	F	58.2	Low	63.1	Low	135 Å²	135	117.5 Å²	117.5	59%	0.592	65%	0.649	S	S	*	*	H	α-helix	trans	-75.3	-23.4	179.5	-103.8	-88.7	0	0	0	114.2	F189 L190 N195	F189-F193 HydrophobicContact CD1-CD2 4.04Å; F189-F193 HydrophobicContact CD1-CE2 4.22Å; F189-F193 AromaticContact CE1-CD2 3.89Å; F189-F193 HydrophobicContact CE1-CD2 3.89Å; F189-F193 AromaticContact CE1-CE2 3.58Å; F189-F193 HydrophobicContact CE1-CE2 3.58Å; F189-F193 HydrophobicContact CZ-CE2 4.21Å; F189-F193 PolarHBondContact O-N 3.14Å; F189-F193 VanDerWaalsContact O-N 3.14Å; L190-F193 PolarHBondContact O-N 3.47Å; F193-N195 PolarHBondContact O-N 3.42Å
194	S	53	Low	60.6	Low	93 Å²	93	119.3 Å²	119.3	65%	0.65	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-14.1	179.7	-169.7	0	0	0	0	113.9	L190	L190-S194 PolarHBondContact O-N 3.01Å; L190-S194 VanDerWaalsContact O-N 3.15Å
195	N	50.7	Low	58.1	Low	118 Å²	118	120.6 Å²	120.6	63%	0.631	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-2.2	-177.1	-77.3	-21.3	0	0	0	114.7	F193 R197 A198	F193-N195 PolarHBondContact O-N 3.42Å; N195-R197 PolarHBondContact O-N 3.42Å; N195-A198 PolarHBondContact O-N 2.9Å
196	D	49.2	Very low	55.6	Low	119 Å²	119	122.6 Å²	122.6	64%	0.636	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	4.1	179.9	-80.9	-21.6	0	0	0	114.6
197	R	45	Very low	53.2	Low	250 Å²	250	123.1 Å²	123.1	94%	0.943	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	4.7	169.7	-65.8	-167	-166.7	-175.9	5.5	114.7	N195	N195-R197 PolarHBondContact O-N 3.42Å
198	A	45.5	Very low	51.3	Low	79 Å²	79	124.2 Å²	124.2	65%	0.653	71%	0.711	S	S	*	*			trans	-107.9	3.2	177.8	0	0	0	0	0	114.6	N195 N200	N195-A198 PolarHBondContact O-N 2.9Å; A198-N200 PolarHBondContact O-N 3.44Å; A198-N200 VanDerWaalsContact O-N 3.1Å
199	C	41.6	Very low	49.5	Very low	115 Å²	115	121 Å²	121	78%	0.777	71%	0.706	S	S	*	*			trans	-86.1	59.3	170.2	-75.8	0	0	0	0	111.7
200	N	36.8	Very low	47.9	Very low	144 Å²	144	121.1 Å²	121.1	77%	0.77	71%	0.707	S	S	*	*	S	Bend	trans	-137.1	120.3	156.8	-104.3	-19.4	0	0	0	105.9	A198	A198-N200 PolarHBondContact O-N 3.44Å; A198-N200 VanDerWaalsContact O-N 3.1Å
201	L	36.7	Very low	46.3	Very low	164 Å²	164	121 Å²	121	86%	0.859	71%	0.706	S	S	*	*	S	Bend	trans	89.4	113.8	-171.2	-63	129.9	0	0	0	115
202	V	36.6	Very low	45	Very low	135 Å²	135	128.5 Å²	128.5	82%	0.818	72%	0.722	S	S	*	*	S	Bend	trans	89.9	92.6	166.6	-161.8	0	0	0	0	116.1	V204	V202-V204 PolarHBondContact O-N 3.02Å
203	N	34.3	Very low	44.2	Very low	165 Å²	165	136.1 Å²	136.1	88%	0.882	74%	0.737	S	S	*	*			trans	-7.1	99	150.2	-79.1	-21.1	0	0	0	116.5
204	V	41.2	Very low	43.6	Very low	141 Å²	141	136.6 Å²	136.6	86%	0.855	74%	0.739	S	S	*	*			trans	-148.5	126.6	142.2	-176.6	0	0	0	0	108.9	V202	V202-V204 PolarHBondContact O-N 3.02Å
205	C	38.3	Very low	43.6	Very low	121 Å²	121	137.4 Å²	137.4	82%	0.818	73%	0.734	S	S	*	*			trans	-47.2	139.1	-175.1	-69.8	0	0	0	0	116	S207	C205-S207 PolarHBondContact O-N 3.44Å
206	C	35.5	Very low	43.5	Very low	128 Å²	128	134.6 Å²	134.6	87%	0.865	73%	0.727	S	S	*	*			trans	-41.9	122.5	149.4	-68.5	0	0	0	0	112
207	S	40.4	Very low	43.7	Very low	84 Å²	84	133.2 Å²	133.2	59%	0.587	72%	0.723	S	S	*	*			trans	-145.3	85.3	149	-165.5	0	0	0	0	109.9	C205 S209	C205-S207 PolarHBondContact O-N 3.44Å; S207-S209 PolarHBondContact O-N 3.48Å; S207-S209 PolarHBondContact OG-OG 3.32Å
208	S	46.6	Very low	44	Very low	114 Å²	114	123.8 Å²	123.8	80%	0.797	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	13.2	170.4	47.6	0	0	0	0	114.1
209	S	47.2	Very low	44.2	Very low	74 Å²	74	123.7 Å²	123.7	52%	0.517	69%	0.69	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.4	-14.5	-177.9	68.6	0	0	0	0	114.3	S207	S207-S209 PolarHBondContact O-N 3.48Å; S207-S209 PolarHBondContact OG-OG 3.32Å
210	F	48.1	Very low	44.7	Very low	145 Å²	145	123.2 Å²	123.2	64%	0.636	68%	0.684	S	S	*	*	H	α-helix	trans	-85.5	-27.6	-173.7	-148.8	-103.2	0	0	0	113.9
211	L	47.1	Very low	45.3	Very low	114 Å²	114	122.7 Å²	122.7	60%	0.597	68%	0.68	S	S	*	*	H	α-helix	trans	-78.8	-30.1	-178.3	-127	82.7	0	0	0	113.4	R213	L211-R213 VanDerWaalsContact C-N 3.33Å; L211-R213 PolarHBondContact O-N 2.91Å
212	R	47.4	Very low	46	Very low	215 Å²	215	120.6 Å²	120.6	81%	0.811	67%	0.667	S	S	*	*	H	α-helix	trans	-70.2	-26.7	179	-74.3	-170.3	-178.4	-151.4	1	113.3
213	R	47.9	Very low	46.6	Very low	205 Å²	205	122.2 Å²	122.2	77%	0.774	66%	0.664	S	S	*	*	H	α-helix	trans	-77.3	-28.9	178.4	-82.7	-174.6	176.1	-172.2	-0.7	113.8	L211 V217	L211-R213 VanDerWaalsContact C-N 3.33Å; L211-R213 PolarHBondContact O-N 2.91Å; R213-V217 WeakPolarHBondContact O-CG2 3.47Å
214	K	46.7	Very low	46.9	Very low	146 Å²	146	117.7 Å²	117.7	64%	0.635	65%	0.645	S	S	*	*	H	α-helix	trans	-77.6	-33.2	-179.8	-72.7	-167.2	174	-172.5	0	113.3	V217 A218	K214-V217 PolarHBondContact O-N 3.32Å; K214-A218 PolarHBondContact O-N 3.48Å
215	I	52	Low	46.9	Very low	109 Å²	109	116.8 Å²	116.8	56%	0.559	64%	0.642	S	S	*	*	H	α-helix	trans	-72.3	-36.1	178	-60.8	172.8	0	0	0	111.1	V217 A218 V219	I215-V217 VanDerWaalsContact C-N 3.32Å; I215-V217 PolarHBondContact O-N 3.18Å; I215-A218 PolarHBondContact O-N 3.43Å; I215-V219 WeakPolarHBondContact O-CG2 3.29Å; I215-V219 PolarHBondContact O-N 3.32Å
216	A	48.9	Very low	47	Very low	59 Å²	59	120 Å²	120	49%	0.488	64%	0.642	S	S	.	*	H	α-helix	trans	-64.9	-32.7	176.1	0	0	0	0	0	113.3	T220	A216-T220 PolarHBondContact O-N 2.75Å; A216-T220 PolarHBondContact O-OG1 3.32Å
217	V	53.6	Low	47.4	Very low	90 Å²	90	118.5 Å²	118.5	55%	0.545	64%	0.639	S	S	.	*	H	α-helix	trans	-76.1	-36.5	178.7	175.6	0	0	0	0	111.8	R213 K214 I215 L221	R213-V217 WeakPolarHBondContact O-CG2 3.47Å; K214-V217 PolarHBondContact O-N 3.32Å; I215-V217 VanDerWaalsContact C-N 3.32Å; I215-V217 PolarHBondContact O-N 3.18Å; V217-L221 HydrophobicContact CG1-CD1 4.36Å; V217-L221 PolarHBondContact O-N 2.95Å
218	A	50.8	Low	47.4	Very low	52 Å²	52	119.3 Å²	119.3	43%	0.43	65%	0.651	S	S	.	*	H	α-helix	trans	-69.3	-37	178.7	0	0	0	0	0	112.9	K214 I215	K214-A218 PolarHBondContact O-N 3.48Å; I215-A218 PolarHBondContact O-N 3.43Å
219	V	51	Low	46.8	Very low	77 Å²	77	124.7 Å²	124.7	47%	0.467	65%	0.653	S	S	.	*	H	α-helix	trans	-74.5	-32.1	178.4	177.9	0	0	0	0	111.7	I215 L221 M222 F223	I215-V219 WeakPolarHBondContact O-CG2 3.29Å; I215-V219 PolarHBondContact O-N 3.32Å; V219-L221 VanDerWaalsContact C-N 3.35Å; V219-L221 PolarHBondContact O-N 3.1Å; V219-M222 PolarHBondContact O-N 2.82Å; V219-F223 HydrophobicContact CG1-CD2 4.32Å; V219-F223 HydrophobicContact CG1-CE2 4.35Å; V219-F223 WeakPolarHBondContact O-CD2 3.4Å
220	T	51.1	Low	46.4	Very low	106 Å²	106	128.2 Å²	128.2	65%	0.65	67%	0.672	S	S	*	*	H	α-helix	trans	-72.3	-27.7	177.9	-50.2	0	0	0	0	112.7	A216	A216-T220 PolarHBondContact O-N 2.75Å; A216-T220 PolarHBondContact O-OG1 3.32Å
221	L	50.6	Low	46	Very low	133 Å²	133	129.8 Å²	129.8	70%	0.696	71%	0.711	S	S	*	*	H	α-helix	trans	-75.9	-26.1	176.2	-74.4	171	0	0	0	113.5	V217 V219	V217-L221 HydrophobicContact CG1-CD1 4.36Å; V217-L221 PolarHBondContact O-N 2.95Å; V219-L221 VanDerWaalsContact C-N 3.35Å; V219-L221 PolarHBondContact O-N 3.1Å
222	M	50.1	Low	46	Very low	119 Å²	119	130.6 Å²	130.6	59%	0.586	72%	0.717	S	S	*	*	H	α-helix	trans	-78	-18.3	176.8	-79.4	-165.9	-116.3	0	0	114.1	I181 V219	I181-M222 HydrophobicContact CD1-CE 3.99Å; I181-M222 HydrophobicContact CD1-SD 3.63Å; I181-M222 HydrophobicContact CG1-CE 4.45Å; V219-M222 PolarHBondContact O-N 2.82Å
223	F	49.6	Very low	45.9	Very low	170 Å²	170	126.1 Å²	126.1	75%	0.746	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	24.6	179.2	-70.1	-78.7	0	0	0	113.4	V219 P225	V219-F223 HydrophobicContact CG1-CD2 4.32Å; V219-F223 HydrophobicContact CG1-CE2 4.35Å; V219-F223 WeakPolarHBondContact O-CD2 3.4Å; F223-P225 VanDerWaalsContact O-CD 3.29Å; F223-P225 WeakPolarHBondContact O-CD 3.27Å
224	S	40.2	Very low	45.8	Very low	69 Å²	69	121.7 Å²	121.7	48%	0.483	71%	0.708	S	S	.	*			trans	-82.1	112.2	171.9	-172.1	0	0	0	0	110.1	K226	S224-K226 PolarHBondContact O-N 3.32Å
225	P	42.3	Very low	45.7	Very low	123 Å²	123	120.3 Å²	120.3	80%	0.799	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	33.5	-172.8	35.5	-36	0	0	0	112.8	F223	F223-P225 VanDerWaalsContact O-CD 3.29Å; F223-P225 WeakPolarHBondContact O-CD 3.27Å
226	K	40.5	Very low	45.4	Very low	188 Å²	188	121 Å²	121	82%	0.817	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	6	-174.1	-84.2	-171.6	175.4	-178.3	0	115.6	S224	S224-K226 PolarHBondContact O-N 3.32Å
227	A	42.4	Very low	45.1	Very low	97 Å²	97	125.1 Å²	125.1	80%	0.802	74%	0.738	S	S	*	*	S	Bend	trans	-102	3	177.2	0	0	0	0	0	114.9	R229	A227-R229 VanDerWaalsContact C-N 3.32Å; A227-R229 PolarHBondContact O-N 3.2Å
228	A	42.3	Very low	44.5	Very low	100 Å²	100	127.6 Å²	127.6	83%	0.826	75%	0.752	S	S	*	*	S	Bend	trans	-91.4	21.9	178.8	0	0	0	0	0	114.2
229	R	33.5	Very low	44	Very low	227 Å²	227	133.5 Å²	133.5	86%	0.857	78%	0.776	S	S	*	*	S	Bend	trans	-131.5	126.4	168.5	-78.5	-175.3	-173.3	173.3	2.1	108.1	A227	A227-R229 VanDerWaalsContact C-N 3.32Å; A227-R229 PolarHBondContact O-N 3.2Å
230	V	38.3	Very low	43.5	Very low	149 Å²	149	138.2 Å²	138.2	90%	0.903	80%	0.802	S	S	*	*			trans	87.6	74.7	-178.1	-161.8	0	0	0	0	114.1
231	A	40.6	Very low	42.8	Very low	177 Å²	177	141.1 Å²	141.1	100%	1.463	82%	0.816	S	S	*	*				-162.9	0	128.5	0	0	0	0	0	107.3

Retrieved 231 of 231 residues in 89.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).