A0A2I3T4C0_PANTR Loading...

Transmembrane p24 trafficking protein 2

AlphaFold DB , UniProt , Accession A0A2I3T4C0, Species PANTR (Pan troglodytes, Chimpanzee), Gene TMED2, Length 208 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.6	Low	73.5	Confident	233 Å²	233	117.1 Å²	117.1	100%	1.148	64%	0.642	S	S	*	*				0	93.7	0	-149.8	-177.7	-64.7	0	0	105.1	T3	M1-T3 PolarHBondContact O-N 3.33Å
2	V	54.5	Low	73.5	Confident	110 Å²	110	112.4 Å²	112.4	67%	0.667	63%	0.63	S	S	*	*			trans	-72.5	126.4	-175.1	178.9	0	0	0	0	107.6	E6	V2-E6 HydrophobicContact CG1-CB 3.82Å
3	T	80.8	Confident	73.4	Confident	76 Å²	76	108.3 Å²	108.3	47%	0.466	62%	0.619	S	S	.	*			trans	-75.7	150	-176.6	60.6	0	0	0	0	110.4	M1 A5 E6 L7	M1-T3 PolarHBondContact O-N 3.33Å; T3-A5 PolarHBondContact O-N 3.26Å; T3-A5 VanDerWaalsContact O-N 3.12Å; T3-E6 PolarHBondContact N-OE2 3.03Å; T3-E6 WeakPolarHBondContact O-CB 3.34Å; T3-E6 PolarHBondContact O-N 3.2Å; T3-E6 WeakPolarHBondContact OG1-CG 3.29Å; T3-E6 PolarHBondContact OG1-N 3.11Å; T3-E6 PolarHBondContact OG1-OE2 3.4Å; T3-L7 PolarHBondContact O-N 3.39Å
4	L	76.1	Confident	73	Confident	141 Å²	141	108.6 Å²	108.6	74%	0.738	62%	0.617	S	S	*	*	H	α-helix	trans	-59.2	-27.1	-179.8	-149.6	138.8	0	0	0	111.9	L8	L4-L8 HydrophobicContact CD2-CD1 4.43Å; L4-L8 WeakPolarHBondContact O-CB 3.46Å; L4-L8 PolarHBondContact O-N 2.89Å
5	A	74.6	Confident	72.3	Confident	66 Å²	66	110.7 Å²	110.7	55%	0.545	63%	0.625	S	S	.	*	H	α-helix	trans	-67	-42.5	172.2	0	0	0	0	0	112.9	T3 L7 L8 V9	T3-A5 PolarHBondContact O-N 3.26Å; T3-A5 VanDerWaalsContact O-N 3.12Å; A5-L7 VanDerWaalsContact C-N 3.32Å; A5-L7 PolarHBondContact O-N 2.68Å; A5-L8 PolarHBondContact O-N 3.01Å; A5-V9 WeakPolarHBondContact O-CG2 3.4Å; A5-V9 PolarHBondContact O-N 2.86Å
6	E	77.3	Confident	71.5	Confident	102 Å²	102	108.9 Å²	108.9	48%	0.477	63%	0.628	S	S	.	*	H	α-helix	trans	-64.1	-37.7	175.6	-73	168.4	147.8	0	0	111.6	V2 T3 L8 L10	V2-E6 HydrophobicContact CG1-CB 3.82Å; T3-E6 PolarHBondContact N-OE2 3.03Å; T3-E6 WeakPolarHBondContact O-CB 3.34Å; T3-E6 PolarHBondContact O-N 3.2Å; T3-E6 WeakPolarHBondContact OG1-CG 3.29Å; T3-E6 PolarHBondContact OG1-N 3.11Å; T3-E6 PolarHBondContact OG1-OE2 3.4Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3.3Å; E6-L10 WeakPolarHBondContact O-CB 3.33Å; E6-L10 PolarHBondContact O-N 3.1Å
7	L	79.3	Confident	70.4	Confident	120 Å²	120	108.7 Å²	108.7	63%	0.628	63%	0.629	S	S	*	*	H	α-helix	trans	-65.5	-37.5	176.6	-152.2	99.6	0	0	0	112.2	T3 A5 L10 L11	T3-L7 PolarHBondContact O-N 3.39Å; A5-L7 VanDerWaalsContact C-N 3.32Å; A5-L7 PolarHBondContact O-N 2.68Å; L7-L10 PolarHBondContact O-N 3.21Å; L7-L11 WeakPolarHBondContact O-CB 3.46Å; L7-L11 PolarHBondContact O-N 3.03Å
8	L	78.5	Confident	69.6	Low	112 Å²	112	110.6 Å²	110.6	59%	0.586	64%	0.642	S	S	*	*	H	α-helix	trans	-73.5	-36.4	-178.9	-136.9	141.5	0	0	0	111.9	L4 A5 E6 A12	L4-L8 HydrophobicContact CD2-CD1 4.43Å; L4-L8 WeakPolarHBondContact O-CB 3.46Å; L4-L8 PolarHBondContact O-N 2.89Å; A5-L8 PolarHBondContact O-N 3.01Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3.3Å; L8-A12 WeakPolarHBondContact O-CB 3.5Å; L8-A12 PolarHBondContact O-N 2.87Å
9	V	80.8	Confident	68.8	Low	104 Å²	104	109.8 Å²	109.8	63%	0.63	64%	0.644	S	S	*	*	H	α-helix	trans	-66	-41.6	172	172	0	0	0	0	110.9	A5 A12 A13	A5-V9 WeakPolarHBondContact O-CG2 3.4Å; A5-V9 PolarHBondContact O-N 2.86Å; V9-A12 PolarHBondContact O-N 2.78Å; V9-A13 WeakPolarHBondContact O-CB 3.37Å; V9-A13 PolarHBondContact O-N 3.27Å
10	L	76.6	Confident	68.4	Low	113 Å²	113	106 Å²	106	59%	0.592	63%	0.629	S	S	*	*	H	α-helix	trans	-63.8	-43.7	176.7	-121.6	121.1	0	0	0	112	E6 L7 A13 L14	E6-L10 WeakPolarHBondContact O-CB 3.33Å; E6-L10 PolarHBondContact O-N 3.1Å; L7-L10 PolarHBondContact O-N 3.21Å; L10-A13 PolarHBondContact O-N 2.68Å; L10-L14 HydrophobicContact CD2-CD1 4.35Å; L10-L14 WeakPolarHBondContact O-CD1 3.5Å; L10-L14 PolarHBondContact O-N 2.82Å
11	L	75.4	Confident	68.2	Low	111 Å²	111	110.4 Å²	110.4	58%	0.581	64%	0.636	S	S	*	*	H	α-helix	trans	-65.9	-38.5	178.2	-166.1	75.7	0	0	0	112	L7 A13 L14 L15	L7-L11 WeakPolarHBondContact O-CB 3.46Å; L7-L11 PolarHBondContact O-N 3.03Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-L14 PolarHBondContact O-N 3.38Å; L11-L15 PolarHBondContact O-N 3.36Å
12	A	73.6	Confident	69.5	Low	61 Å²	61	104.1 Å²	104.1	50%	0.504	60%	0.603	S	S	.	*	H	α-helix	trans	-65.9	-36	174.7	0	0	0	0	0	112.4	L8 V9	L8-A12 WeakPolarHBondContact O-CB 3.5Å; L8-A12 PolarHBondContact O-N 2.87Å; V9-A12 PolarHBondContact O-N 2.78Å
13	A	72.5	Confident	71.2	Confident	59 Å²	59	99.7 Å²	99.7	49%	0.488	58%	0.576	S	S	.	*	H	α-helix	trans	-68.4	-37	174.8	0	0	0	0	0	112.5	V9 L10 L11 A16	V9-A13 WeakPolarHBondContact O-CB 3.37Å; V9-A13 PolarHBondContact O-N 3.27Å; L10-A13 PolarHBondContact O-N 2.68Å; L11-A13 VanDerWaalsContact C-N 3.34Å; A13-A16 PolarHBondContact O-N 2.86Å
14	L	67.6	Low	71.6	Confident	112 Å²	112	99.7 Å²	99.7	59%	0.586	58%	0.579	S	S	*	*	H	α-helix	trans	-68	-30.8	177.1	-91.4	145.7	0	0	0	113.5	L10 L11 A16 T17	L10-L14 HydrophobicContact CD2-CD1 4.35Å; L10-L14 WeakPolarHBondContact O-CD1 3.5Å; L10-L14 PolarHBondContact O-N 2.82Å; L11-L14 PolarHBondContact O-N 3.38Å; L14-A16 VanDerWaalsContact C-N 3.26Å; L14-A16 PolarHBondContact O-N 3.24Å; L14-T17 PolarHBondContact O-OG1 2.82Å
15	L	61.8	Low	72.4	Confident	140 Å²	140	93 Å²	93	73%	0.733	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-9.5	176.5	-72.6	168.2	0	0	0	113.5	L11	L11-L15 PolarHBondContact O-N 3.36Å
16	A	60.1	Low	73.2	Confident	82 Å²	82	94.7 Å²	94.7	68%	0.678	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.1	-179.7	0	0	0	0	0	113.8	A13 L14	A13-A16 PolarHBondContact O-N 2.86Å; L14-A16 VanDerWaalsContact C-N 3.26Å; L14-A16 PolarHBondContact O-N 3.24Å
17	T	53.3	Low	73.7	Confident	106 Å²	106	91.9 Å²	91.9	65%	0.65	54%	0.538	S	S	*	.			trans	-107.2	43.1	-170.6	63.6	0	0	0	0	113.7	L14	L14-T17 PolarHBondContact O-OG1 2.82Å
18	V	55.2	Low	74.1	Confident	143 Å²	143	92 Å²	92	87%	0.867	54%	0.535	S	S	*	.			trans	-94.9	94.8	161	176.3	0	0	0	0	107.1
19	S	55.3	Low	74.7	Confident	95 Å²	95	88 Å²	88	66%	0.664	52%	0.519	S	S	*	.			trans	-91.5	124.8	169.8	-171	0	0	0	0	108.5	F22	S19-F22 WeakPolarHBondContact OG-CE2 3.48Å
20	G	60	Low	75.3	Confident	34 Å²	34	86.7 Å²	86.7	35%	0.351	51%	0.505	S	S	.	.			trans	-64.2	168.3	159.7	0	0	0	0	0	110.8	F22	G20-F22 VanDerWaalsContact N-CE2 3.26Å; G20-F22 WeakPolarHBondContact O-CD2 3.38Å; G20-F22 WeakPolarHBondContact O-CE2 3.21Å; G20-F22 PolarHBondContact O-N 3.49Å
21	Y	64.8	Low	76.1	Confident	199 Å²	199	85.3 Å²	85.3	78%	0.78	50%	0.496	S	S	*	.			trans	-71.4	111.4	166.5	-89.5	-87.7	0	0	0	108.4
22	F	82.5	Confident	77.1	Confident	101 Å²	101	81.7 Å²	81.7	44%	0.443	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.5	173	-48.9	-75.7	0	0	0	107.9	S19 G20 I105 V106 M107	S19-F22 WeakPolarHBondContact OG-CE2 3.48Å; G20-F22 VanDerWaalsContact N-CE2 3.26Å; G20-F22 WeakPolarHBondContact O-CD2 3.38Å; G20-F22 WeakPolarHBondContact O-CE2 3.21Å; G20-F22 PolarHBondContact O-N 3.49Å; F22-I105 HydrophobicContact CB-CG2 3.97Å; F22-I105 HydrophobicContact CD1-CG2 4.49Å; F22-V106 WeakPolarHBondContact CA-O 3.45Å; F22-M107 HydrophobicContact CD1-CB 3.86Å; F22-M107 HydrophobicContact CD1-CG 4.07Å; F22-M107 HydrophobicContact CD1-SD 4.49Å; F22-M107 HydrophobicContact CE1-CB 4.01Å; F22-M107 HydrophobicContact CE1-CG 3.9Å; F22-M107 HydrophobicContact CE1-SD 3.73Å; F22-M107 HydrophobicContact CZ-SD 4.49Å
23	V	88.6	Confident	78.1	Confident	17 Å²	17	81.7 Å²	81.7	10%	0.103	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.5	170.5	59.6	0	0	0	0	108.7	I25 E31 F33 I105 V106 F108	V23-I25 HydrophobicContact CG1-CD1 3.79Å; V23-I25 HydrophobicContact CG2-CD1 4.4Å; V23-I25 HydrophobicContact CG2-CG1 4.36Å; V23-E31 HydrophobicContact CG2-CB 3.96Å; V23-E31 HydrophobicContact CG2-CG 3.94Å; V23-F33 HydrophobicContact CB-CE2 4.41Å; V23-F33 HydrophobicContact CB-CZ 4.03Å; V23-F33 HydrophobicContact CG1-CE2 4.26Å; V23-F33 HydrophobicContact CG1-CZ 4.35Å; V23-F33 HydrophobicContact CG2-CE2 4.32Å; V23-F33 HydrophobicContact CG2-CZ 3.94Å; V23-I105 WeakPolarHBondContact O-CA 3.44Å; V23-V106 HydrophobicContact CG1-CB 4.08Å; V23-V106 PolarHBondContact N-O 2.92Å; V23-V106 PolarHBondContact O-N 2.82Å; V23-F108 HydrophobicContact CB-CE1 4Å; V23-F108 HydrophobicContact CG1-CD1 3.8Å; V23-F108 HydrophobicContact CG1-CE1 3.61Å
24	S	90.6	Very high	79.2	Confident	76 Å²	76	84.9 Å²	84.9	53%	0.531	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.3	170.6	56.2	0	0	0	0	109	K104	S24-K104 CarbonylContact C-O 3.5Å; S24-K104 WeakPolarHBondContact CA-O 3.13Å
25	I	92	Very high	80.4	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115	175.5	-52.8	94.5	0	0	0	108.8	V23 A29 E31 F94 N96 P103 K104 V106	V23-I25 HydrophobicContact CG1-CD1 3.79Å; V23-I25 HydrophobicContact CG2-CD1 4.4Å; V23-I25 HydrophobicContact CG2-CG1 4.36Å; I25-A29 HydrophobicContact CG2-CB 4.18Å; I25-A29 WeakPolarHBondContact CG2-O 3.48Å; I25-E31 HydrophobicContact CG1-CB 4.04Å; I25-E31 HydrophobicContact CG1-CG 3.98Å; I25-E31 HydrophobicContact CG2-CG 4.47Å; I25-F94 HydrophobicContact CD1-CB 4.05Å; I25-F94 HydrophobicContact CG1-CB 4.13Å; I25-N96 HydrophobicContact CB-CB 4.33Å; I25-N96 HydrophobicContact CG2-CB 3.68Å; I25-N96 PolarHBondContact O-ND2 3.15Å; I25-P103 CarbonylContact O-C 3.59Å; I25-P103 VanDerWaalsContact O-CA 3.25Å; I25-P103 WeakPolarHBondContact O-CA 3.46Å; I25-K104 PolarHBondContact N-O 3.34Å; I25-K104 PolarHBondContact O-N 2.92Å; I25-V106 HydrophobicContact CD1-CB 4.06Å; I25-V106 HydrophobicContact CD1-CG2 3.58Å
26	D	90.8	Very high	82	Confident	102 Å²	102	86.1 Å²	86.1	55%	0.545	46%	0.461	S	S	.	.			trans	-62.7	165.8	177.7	-79.6	-29.6	0	0	0	112.9	H28 A29 N96	D26-H28 PolarHBondContact O-N 3.15Å; D26-A29 HydrophobicContact CB-CB 3.86Å; D26-A29 WeakPolarHBondContact O-CB 3.32Å; D26-A29 PolarHBondContact O-N 2.8Å; D26-A29 VanDerWaalsContact O-N 3.15Å; D26-N96 WeakPolarHBondContact O-CB 3.47Å; D26-N96 PolarHBondContact O-ND2 3.14Å; D26-N96 VanDerWaalsContact O-ND2 3.11Å
27	A	88.8	Confident	83.5	Confident	43 Å²	43	82.9 Å²	82.9	36%	0.355	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	125.4	175	0	0	0	0	0	110.4	A29 S99	A27-A29 PolarHBondContact O-N 3.19Å; A27-S99 VanDerWaalsContact CB-O 3.26Å; A27-S99 WeakPolarHBondContact CB-O 3.49Å
28	H	87.7	Confident	85.4	Confident	121 Å²	121	81 Å²	81	56%	0.56	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	15.5	179.6	-53	15.9	0	0	0	113.9	D26 N96 S99	D26-H28 PolarHBondContact O-N 3.15Å; H28-N96 WeakPolarHBondContact CA-O 3.42Å; H28-N96 PolarHBondContact N-O 2.82Å; H28-S99 PolarHBondContact ND1-O 2.98Å
29	A	91.1	Very high	87	Confident	30 Å²	30	76.7 Å²	76.7	25%	0.248	40%	0.398	C	S	.	.			trans	-94.2	163.2	172.2	0	0	0	0	0	111.3	I25 D26 A27 N96	I25-A29 HydrophobicContact CG2-CB 4.18Å; I25-A29 WeakPolarHBondContact CG2-O 3.48Å; D26-A29 HydrophobicContact CB-CB 3.86Å; D26-A29 WeakPolarHBondContact O-CB 3.32Å; D26-A29 PolarHBondContact O-N 2.8Å; D26-A29 VanDerWaalsContact O-N 3.15Å; A27-A29 PolarHBondContact O-N 3.19Å; A29-N96 PolarHBondContact O-N 2.75Å
30	E	92.8	Very high	88.5	Confident	76 Å²	76	73.8 Å²	73.8	36%	0.355	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.5	171.8	176.3	174	-99.5	0	0	108.3	C93 F94 S95	E30-C93 HydrophobicContact CG-CB 3.9Å; E30-F94 VanDerWaalsContact CA-O 3.31Å; E30-F94 WeakPolarHBondContact CA-O 3.31Å; E30-S95 PolarHBondContact OE1-OG 2.84Å
31	E	94.6	Very high	89.8	Confident	84 Å²	84	72.3 Å²	72.3	39%	0.393	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.2	175.5	-71.3	-62.1	153.8	0	0	109.4	V23 I25 C93 F94	V23-E31 HydrophobicContact CG2-CB 3.96Å; V23-E31 HydrophobicContact CG2-CG 3.94Å; I25-E31 HydrophobicContact CG1-CB 4.04Å; I25-E31 HydrophobicContact CG1-CG 3.98Å; I25-E31 HydrophobicContact CG2-CG 4.47Å; E31-C93 CarbonylContact O-C 3.53Å; E31-C93 WeakPolarHBondContact O-CA 3.11Å; E31-F94 PolarHBondContact N-O 2.05Å; E31-F94 PolarHBondContact O-N 2.93Å
32	C	95.2	Very high	91	Very high	34 Å²	34	69.2 Å²	69.2	23%	0.23	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.1	-174.8	-60.3	0	0	0	0	112.5	F34 K91 F92 C93	C32-F34 HydrophobicContact CB-CE2 4.1Å; C32-F34 HydrophobicContact CB-CZ 4.1Å; C32-K91 HydrophobicContact CB-CD 4.29Å; C32-K91 HydrophobicContact CB-CG 4.07Å; C32-F92 CarbonylContact C-O 3.55Å; C32-F92 VanDerWaalsContact CA-O 3.28Å; C32-F92 WeakPolarHBondContact CA-O 3.13Å; C32-C93 HydrophobicContact CB-CB 4.19Å; C32-C93 WeakPolarHBondContact CB-SG 3.28Å; C32-C93 WeakPolarHBondContact SG-CB 3.33Å; C32-C93 CovalentContact SG-SG 2.05Å; C32-C93 PolarHBondContact SG-SG 2.97Å
33	F	95.3	Very high	91.4	Very high	62 Å²	62	64.4 Å²	64.4	27%	0.272	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.5	176.5	-59	-85.5	0	0	0	110.1	V23 K91 F92 F94 F108 I110	V23-F33 HydrophobicContact CB-CE2 4.41Å; V23-F33 HydrophobicContact CB-CZ 4.03Å; V23-F33 HydrophobicContact CG1-CE2 4.26Å; V23-F33 HydrophobicContact CG1-CZ 4.35Å; V23-F33 HydrophobicContact CG2-CE2 4.32Å; V23-F33 HydrophobicContact CG2-CZ 3.94Å; F33-K91 CarbonylContact O-C 3.53Å; F33-K91 WeakPolarHBondContact O-CA 3.42Å; F33-F92 PolarHBondContact N-O 2.83Å; F33-F92 PolarHBondContact O-N 2.8Å; F33-F94 HydrophobicContact CD2-CD2 4.18Å; F33-F94 HydrophobicContact CD2-CE2 4.11Å; F33-F94 HydrophobicContact CE2-CD2 4.04Å; F33-F94 HydrophobicContact CE2-CE2 4.19Å; F33-F108 HydrophobicContact CD1-CE2 4.26Å; F33-F108 AromaticContact CD1-CZ 3.77Å; F33-F108 HydrophobicContact CD1-CZ 3.77Å; F33-F108 HydrophobicContact CD2-CE1 4.26Å; F33-F108 AromaticContact CD2-CE2 3.94Å; F33-F108 HydrophobicContact CD2-CE2 3.94Å; F33-F108 AromaticContact CD2-CZ 3.63Å; F33-F108 HydrophobicContact CD2-CZ 3.63Å; F33-F108 HydrophobicContact CE1-CE1 4.22Å; F33-F108 HydrophobicContact CE1-CE2 4.44Å; F33-F108 AromaticContact CE1-CZ 3.52Å; F33-F108 HydrophobicContact CE1-CZ 3.52Å; F33-F108 AromaticContact CE2-CE1 3.62Å; F33-F108 HydrophobicContact CE2-CE1 3.62Å; F33-F108 HydrophobicContact CE2-CE2 4.13Å; F33-F108 AromaticContact CE2-CZ 3.37Å; F33-F108 HydrophobicContact CE2-CZ 3.37Å; F33-F108 HydrophobicContact CG-CE2 4.02Å; F33-F108 AromaticContact CG-CZ 3.83Å; F33-F108 HydrophobicContact CG-CZ 3.83Å; F33-F108 AromaticContact CZ-CE1 3.6Å; F33-F108 HydrophobicContact CZ-CE1 3.6Å; F33-F108 HydrophobicContact CZ-CE2 4.38Å; F33-F108 AromaticContact CZ-CZ 3.32Å; F33-F108 HydrophobicContact CZ-CZ 3.32Å; F33-I110 HydrophobicContact CB-CD1 3.98Å
34	F	94.9	Very high	91.5	Very high	125 Å²	125	64 Å²	64	55%	0.548	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.6	-170.2	-61.3	-90.1	0	0	0	110.7	C32 T89 Y90 K91	C32-F34 HydrophobicContact CB-CE2 4.1Å; C32-F34 HydrophobicContact CB-CZ 4.1Å; F34-T89 HydrophobicContact CB-CG2 3.77Å; F34-T89 HydrophobicContact CD1-CG2 3.9Å; F34-T89 HydrophobicContact CG-CG2 4.31Å; F34-Y90 WeakPolarHBondContact CA-O 3.16Å; F34-K91 HydrophobicContact CD1-CB 4.07Å; F34-K91 HydrophobicContact CD1-CG 3.99Å; F34-K91 HydrophobicContact CE1-CB 3.97Å; F34-K91 HydrophobicContact CE1-CD 3.69Å; F34-K91 HydrophobicContact CE1-CG 3.51Å; F34-K91 HydrophobicContact CZ-CD 4.03Å; F34-K91 HydrophobicContact CZ-CG 4Å
35	E	93.9	Very high	91.7	Very high	71 Å²	71	60.4 Å²	60.4	33%	0.332	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.9	175.7	-73.8	-60.7	166.5	0	0	111.3	T89 Y90 F92 I110 I112	E35-T89 CarbonylContact O-C 3.54Å; E35-T89 WeakPolarHBondContact O-CA 3.41Å; E35-Y90 PolarHBondContact N-O 3.39Å; E35-Y90 PolarHBondContact O-N 2.88Å; E35-F92 HydrophobicContact CB-CE2 4.32Å; E35-I110 HydrophobicContact CG-CG2 4.05Å; E35-I112 HydrophobicContact CB-CD1 4.11Å; E35-I112 HydrophobicContact CG-CD1 3.89Å; E35-I112 WeakPolarHBondContact OE2-CD1 3.4Å
36	R	94	Very high	91.8	Very high	208 Å²	208	62.9 Å²	62.9	79%	0.785	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.9	-179.9	-173.7	175.5	-179.8	154.3	0.4	109.9	G88	R36-G88 WeakPolarHBondContact CA-O 3.26Å
37	V	93.1	Very high	91.9	Very high	13 Å²	13	58.2 Å²	58.2	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	160.5	-176.4	-61.6	0	0	0	0	111.6	T41 M43 A84 G88 Y90 I112	V37-T41 HydrophobicContact CB-CG2 4.3Å; V37-T41 HydrophobicContact CG1-CG2 4.33Å; V37-M43 HydrophobicContact CB-SD 4.39Å; V37-M43 HydrophobicContact CG1-CG 4.25Å; V37-M43 HydrophobicContact CG1-SD 3.86Å; V37-M43 HydrophobicContact CG2-CE 3.74Å; V37-M43 HydrophobicContact CG2-SD 3.66Å; V37-A84 HydrophobicContact CG2-CB 3.72Å; V37-G88 PolarHBondContact N-O 3.31Å; V37-G88 PolarHBondContact O-N 3.24Å; V37-Y90 HydrophobicContact CG2-CD2 3.48Å; V37-Y90 VanDerWaalsContact CG2-CD2 3.48Å; V37-Y90 HydrophobicContact CG2-CE2 3.44Å; V37-Y90 VanDerWaalsContact CG2-CE2 3.44Å; V37-I112 HydrophobicContact CG1-CD1 4.35Å; V37-I112 HydrophobicContact CG1-CG2 3.8Å
38	T	91.4	Very high	92.1	Very high	66 Å²	66	61.4 Å²	61.4	41%	0.405	31%	0.305	S	S	.	.			trans	-89.6	157.8	171.2	53.7	0	0	0	0	110.6	T41 A84 A115	T38-T41 WeakPolarHBondContact O-CB 3.21Å; T38-T41 PolarHBondContact O-N 3Å; T38-T41 PolarHBondContact O-OG1 3.25Å; T38-T41 PolarHBondContact OG1-OG1 3.11Å; T38-A84 WeakPolarHBondContact O-CB 3.41Å; T38-A115 VanDerWaalsContact OG1-CB 3.3Å; T38-A115 WeakPolarHBondContact OG1-CB 3.32Å
39	S	90.4	Very high	92.3	Very high	54 Å²	54	56.1 Å²	56.1	38%	0.378	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	140.6	177.8	-171.7	0	0	0	0	111.1	T41 H85 D87	S39-T41 PolarHBondContact O-N 2.87Å; S39-H85 PolarHBondContact OG-O 3.48Å; S39-D87 WeakPolarHBondContact CA-OD1 3.36Å; S39-D87 WeakPolarHBondContact CB-OD1 3.25Å; S39-D87 PolarHBondContact N-OD1 3.33Å
40	G	85.7	Confident	92.1	Very high	33 Å²	33	57.6 Å²	57.6	34%	0.34	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-9.1	-176.4	0	0	0	0	0	115.2	K42 A84	G40-K42 PolarHBondContact O-N 3.45Å; G40-A84 PolarHBondContact N-O 2.82Å
41	T	88.5	Confident	91.7	Very high	4 Å²	4	60 Å²	60	3%	0.025	31%	0.305	C	S	.	.			trans	-67	127.8	176	-52.8	0	0	0	0	110.4	V37 T38 S39 A83 A84 I112 G113 A115	V37-T41 HydrophobicContact CB-CG2 4.3Å; V37-T41 HydrophobicContact CG1-CG2 4.33Å; T38-T41 WeakPolarHBondContact O-CB 3.21Å; T38-T41 PolarHBondContact O-N 3Å; T38-T41 PolarHBondContact O-OG1 3.25Å; T38-T41 PolarHBondContact OG1-OG1 3.11Å; S39-T41 PolarHBondContact O-N 2.87Å; T41-A83 WeakPolarHBondContact O-CA 3.34Å; T41-A84 PolarHBondContact O-N 2.85Å; T41-I112 HydrophobicContact CG2-CG2 3.78Å; T41-G113 VanDerWaalsContact CG2-O 3.25Å; T41-G113 WeakPolarHBondContact CG2-O 3.45Å; T41-A115 WeakPolarHBondContact OG1-CB 3.44Å
42	K	89	Confident	91.1	Very high	133 Å²	133	56.7 Å²	56.7	58%	0.578	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.7	175.4	-66.1	-174.9	-180	179.1	0	109.9	G40 F82 G113	G40-K42 PolarHBondContact O-N 3.45Å; K42-F82 CarbonylContact C-O 3.58Å; K42-F82 WeakPolarHBondContact CA-O 3.21Å; K42-G113 WeakPolarHBondContact O-CA 3.37Å; K42-G113 PolarHBondContact O-N 2.94Å
43	M	91.6	Very high	90.3	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.9	173	-67	175.6	-74.8	0	0	109.9	V37 T81 F82 A84 Y90 F92 D111	V37-M43 HydrophobicContact CB-SD 4.39Å; V37-M43 HydrophobicContact CG1-CG 4.25Å; V37-M43 HydrophobicContact CG1-SD 3.86Å; V37-M43 HydrophobicContact CG2-CE 3.74Å; V37-M43 HydrophobicContact CG2-SD 3.66Å; M43-T81 CarbonylContact O-C 3.59Å; M43-T81 VanDerWaalsContact O-CA 3.29Å; M43-T81 WeakPolarHBondContact O-CA 3.45Å; M43-F82 HydrophobicContact CB-CE1 4.17Å; M43-F82 HydrophobicContact CB-CZ 4.14Å; M43-F82 HydrophobicContact CE-CD2 4.03Å; M43-F82 HydrophobicContact CE-CE2 3.23Å; M43-F82 HydrophobicContact CE-CZ 3.58Å; M43-F82 PolarHBondContact N-O 3.46Å; M43-F82 PolarHBondContact O-N 2.82Å; M43-F82 HydrophobicContact SD-CE2 4.49Å; M43-F82 HydrophobicContact SD-CZ 4.29Å; M43-A84 HydrophobicContact CE-CB 4.02Å; M43-Y90 HydrophobicContact CE-CD1 3.71Å; M43-Y90 HydrophobicContact CE-CD2 3.78Å; M43-Y90 HydrophobicContact CE-CE1 3.89Å; M43-Y90 HydrophobicContact CE-CE2 4.01Å; M43-Y90 HydrophobicContact CE-CG 3.65Å; M43-Y90 HydrophobicContact SD-CD2 4.26Å; M43-Y90 HydrophobicContact SD-CG 4.18Å; M43-F92 HydrophobicContact SD-CZ 4.22Å; M43-D111 CarbonylContact C-O 3.54Å; M43-D111 VanDerWaalsContact CA-O 3.29Å; M43-D111 WeakPolarHBondContact CA-O 3.25Å
44	G	91.2	Very high	89.8	Confident	8 Å²	8	62.4 Å²	62.4	8%	0.082	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.8	175.2	0	0	0	0	0	110.7	Y80 I110 D111	G44-Y80 CarbonylContact C-O 3.5Å; G44-Y80 VanDerWaalsContact CA-O 3.28Å; G44-Y80 WeakPolarHBondContact CA-O 3.34Å; G44-I110 CarbonylContact O-C 3.53Å; G44-I110 VanDerWaalsContact O-CA 3.31Å; G44-I110 WeakPolarHBondContact O-CA 3.39Å; G44-D111 PolarHBondContact N-O 3.37Å; G44-D111 PolarHBondContact O-N 2.83Å
45	L	94	Very high	89.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.6	166.4	177.5	69.4	0	0	0	108.1	F47 V59 I61 K79 Y80 F92 F94 F108 I110	L45-F47 HydrophobicContact CD2-CD1 4.11Å; L45-F47 HydrophobicContact CG-CD1 4.29Å; L45-V59 HydrophobicContact CD2-CG1 3.78Å; L45-I61 HydrophobicContact CB-CD1 4.5Å; L45-I61 HydrophobicContact CD2-CD1 3.98Å; L45-I61 HydrophobicContact CD2-CG1 4.45Å; L45-K79 CarbonylContact O-C 3.49Å; L45-K79 WeakPolarHBondContact O-CA 3.31Å; L45-Y80 PolarHBondContact N-O 2.85Å; L45-Y80 PolarHBondContact O-N 3.13Å; L45-F92 HydrophobicContact CB-CD1 4.31Å; L45-F92 HydrophobicContact CB-CE1 4.18Å; L45-F92 HydrophobicContact CD1-CD1 4.22Å; L45-F92 HydrophobicContact CD2-CD1 4.15Å; L45-F92 HydrophobicContact CG-CD1 4.46Å; L45-F94 HydrophobicContact CD1-CZ 4.14Å; L45-F108 HydrophobicContact CD1-CD2 4.5Å; L45-I110 HydrophobicContact CD1-CG1 3.95Å
46	I	93.1	Very high	89.2	Confident	53 Å²	53	57.9 Å²	57.9	27%	0.272	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.4	167.9	-60.5	167.6	0	0	0	106.8	G78 K79 F108 T109	I46-G78 WeakPolarHBondContact CA-O 3.49Å; I46-K79 HydrophobicContact CD1-CD 4.34Å; I46-K79 HydrophobicContact CG1-CB 4.26Å; I46-K79 HydrophobicContact CG1-CD 4.2Å; I46-K79 HydrophobicContact CG1-CG 3.88Å; I46-F108 CarbonylContact O-C 3.53Å; I46-F108 WeakPolarHBondContact O-CA 3.15Å; I46-F108 WeakPolarHBondContact O-CB 3.31Å; I46-T109 PolarHBondContact N-O 3.4Å; I46-T109 PolarHBondContact O-N 3.38Å
47	F	93.4	Very high	89.2	Confident	4 Å²	4	48 Å²	48	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	153	175.2	72.5	-84.4	0	0	0	112.3	L45 I57 V59 E75 S77 G78 Y80 F94 V106 M107 F108	L45-F47 HydrophobicContact CD2-CD1 4.11Å; L45-F47 HydrophobicContact CG-CD1 4.29Å; F47-I57 HydrophobicContact CD2-CG2 4.08Å; F47-I57 HydrophobicContact CE2-CG2 3.88Å; F47-V59 HydrophobicContact CD1-CG2 4.33Å; F47-V59 HydrophobicContact CD2-CG2 4.23Å; F47-V59 HydrophobicContact CE1-CG1 4.48Å; F47-V59 HydrophobicContact CE1-CG2 3.87Å; F47-V59 HydrophobicContact CE2-CG2 3.77Å; F47-V59 HydrophobicContact CZ-CG2 3.58Å; F47-E75 HydrophobicContact CE2-CB 4.06Å; F47-E75 HydrophobicContact CZ-CB 3.79Å; F47-S77 VanDerWaalsContact O-CA 3.22Å; F47-S77 WeakPolarHBondContact O-CA 3.48Å; F47-S77 WeakPolarHBondContact O-CB 3.11Å; F47-G78 PolarHBondContact N-O 2.95Å; F47-G78 PolarHBondContact O-N 3.32Å; F47-Y80 HydrophobicContact CE1-CD2 4.02Å; F47-Y80 AromaticContact CE1-CE2 3.79Å; F47-Y80 HydrophobicContact CE1-CE2 3.79Å; F47-Y80 HydrophobicContact CZ-CE2 4.41Å; F47-F94 HydrophobicContact CB-CE1 3.89Å; F47-F94 HydrophobicContact CB-CZ 4.15Å; F47-F94 HydrophobicContact CD1-CE1 4.48Å; F47-F94 HydrophobicContact CD2-CE1 4.35Å; F47-F94 AromaticContact CG-CE1 3.99Å; F47-F94 HydrophobicContact CG-CE1 3.99Å; F47-V106 HydrophobicContact CB-CG1 4.14Å; F47-M107 CarbonylContact C-O 3.59Å; F47-M107 VanDerWaalsContact CA-O 3.25Å; F47-M107 WeakPolarHBondContact CA-O 3.45Å; F47-F108 HydrophobicContact CB-CB 3.94Å
48	E	93.2	Very high	89.2	Confident	109 Å²	109	48.7 Å²	48.7	51%	0.509	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	130.9	174.9	-175.2	170.5	-177	0	0	109.7	A50 M107	E48-A50 PolarHBondContact O-N 2.73Å; E48-M107 PolarHBondContact N-O 2.83Å; E48-M107 PolarHBondContact O-N 3.06Å
49	V	91.1	Very high	89.4	Confident	11 Å²	11	45.7 Å²	45.7	7%	0.067	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	112.2	176	-174.3	0	0	0	0	108.6	L55 I57 S76 V106	V49-L55 HydrophobicContact CG1-CB 4.45Å; V49-L55 HydrophobicContact CG1-CD2 4.37Å; V49-I57 HydrophobicContact CG2-CB 3.93Å; V49-I57 HydrophobicContact CG2-CG2 3.68Å; V49-S76 WeakPolarHBondContact CG2-O 3.3Å; V49-S76 PolarHBondContact N-O 3.14Å; V49-V106 HydrophobicContact CG2-CG2 4.29Å
50	A	87.6	Confident	89.6	Confident	61 Å²	61	45.9 Å²	45.9	50%	0.504	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-41.3	-178	0	0	0	0	0	112.1	E48 I105	E48-A50 PolarHBondContact O-N 2.73Å; A50-I105 HydrophobicContact CB-CB 4.48Å; A50-I105 HydrophobicContact CB-CG2 4.25Å; A50-I105 PolarHBondContact N-O 2.96Å
51	E	85.5	Confident	90.1	Very high	127 Å²	127	44.3 Å²	44.3	59%	0.593	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-153.9	152.6	-175.2	-158.8	172.2	-177.8	0	0	112.3	K104 I105	E51-K104 WeakPolarHBondContact O-CA 3.48Å; E51-I105 HydrophobicContact CB-CB 4.24Å; E51-I105 HydrophobicContact CB-CD1 4.2Å; E51-I105 HydrophobicContact CB-CG1 4.35Å; E51-I105 PolarHBondContact N-O 2.94Å; E51-I105 PolarHBondContact O-N 2.86Å
52	G	80.2	Confident	90.5	Very high	14 Å²	14	44.5 Å²	44.5	14%	0.144	24%	0.239	C	C	.	.	S	Bend	trans	111.8	135.6	170.8	0	0	0	0	0	115.1	F54 L55	G52-F54 PolarHBondContact O-N 3.35Å; G52-L55 PolarHBondContact O-N 3.18Å
53	G	80.3	Confident	90.7	Very high	49 Å²	49	38.4 Å²	38.4	51%	0.505	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-127.5	173.7	0	0	0	0	0	114.4	L55	G53-L55 VanDerWaalsContact C-N 3.33Å
54	F	83.1	Confident	90.9	Very high	167 Å²	167	40.4 Å²	40.4	73%	0.732	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	14.2	177.6	-65.3	-75.4	0	0	0	113.6	G52 D56	G52-F54 PolarHBondContact O-N 3.35Å; F54-D56 PolarHBondContact O-N 3.26Å
55	L	87.6	Confident	91	Very high	85 Å²	85	43.4 Å²	43.4	45%	0.445	24%	0.241	S	C	.	.	S	Bend	trans	57.3	35	-175.2	-54.1	173.4	0	0	0	113.2	V49 G52 G53 S76	V49-L55 HydrophobicContact CG1-CB 4.45Å; V49-L55 HydrophobicContact CG1-CD2 4.37Å; G52-L55 PolarHBondContact O-N 3.18Å; G53-L55 VanDerWaalsContact C-N 3.33Å; L55-S76 WeakPolarHBondContact O-CA 3.21Å; L55-S76 WeakPolarHBondContact O-CB 3.36Å
56	D	90.3	Very high	90.9	Very high	16 Å²	16	50 Å²	50	9%	0.086	28%	0.277	C	S	.	.			trans	-116.6	155.8	176.1	57.6	0.4	0	0	0	110.9	F54 R74 E75 K104	F54-D56 PolarHBondContact O-N 3.26Å; D56-R74 HydrophobicContact CB-CB 4.06Å; D56-R74 IonicContact OD2-CZ 2.71Å; D56-R74 IonicContact OD2-NE 3.11Å; D56-R74 PolarHBondContact OD2-NE 2.78Å; D56-R74 IonicContact OD2-NH2 2.92Å; D56-R74 PolarHBondContact OD2-NH2 3.19Å; D56-E75 CarbonylContact C-O 3.56Å; D56-K104 WeakPolarHBondContact O-CD 3.37Å; D56-K104 WeakPolarHBondContact O-CE 3.35Å; D56-K104 PolarHBondContact O-NZ 3Å; D56-K104 IonicContact OD1-NZ 3.1Å; D56-K104 PolarHBondContact OD1-NZ 3.26Å
57	I	92.3	Very high	90.8	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	150.6	171.2	-164.7	69.2	0	0	0	109.9	F47 V49 V59 R74 E75 F94 S95 N96 K104 V106	F47-I57 HydrophobicContact CD2-CG2 4.08Å; F47-I57 HydrophobicContact CE2-CG2 3.88Å; V49-I57 HydrophobicContact CG2-CB 3.93Å; V49-I57 HydrophobicContact CG2-CG2 3.68Å; I57-V59 HydrophobicContact CG2-CG2 3.87Å; I57-R74 PolarHBondContact O-N 2.94Å; I57-E75 PolarHBondContact N-O 3.26Å; I57-E75 PolarHBondContact O-N 2.68Å; I57-F94 HydrophobicContact CG1-CB 4.2Å; I57-F94 HydrophobicContact CG1-CD1 4.4Å; I57-F94 HydrophobicContact CG2-CD1 4.39Å; I57-S95 WeakPolarHBondContact CD1-O 3.24Å; I57-N96 HydrophobicContact CD1-CB 4.13Å; I57-K104 HydrophobicContact CD1-CB 4.46Å; I57-K104 HydrophobicContact CD1-CD 3.84Å; I57-V106 HydrophobicContact CB-CG2 4.41Å; I57-V106 HydrophobicContact CG1-CG2 4.19Å; I57-V106 HydrophobicContact CG2-CG2 4.43Å
58	D	94.1	Very high	90.7	Very high	27 Å²	27	56.1 Å²	56.1	14%	0.144	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	128.6	171.7	-56.1	-31.7	0	0	0	108.5	G72 R74 F94 S95	D58-G72 CarbonylContact C-O 3.48Å; D58-G72 WeakPolarHBondContact CA-O 3Å; D58-R74 PolarHBondContact OD1-N 2.93Å; D58-F94 WeakPolarHBondContact O-CA 3.35Å; D58-S95 PolarHBondContact N-O 3.34Å; D58-S95 PolarHBondContact O-N 2.75Å
59	V	95.1	Very high	90.8	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.018	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.1	-178	-175.8	0	0	0	0	109.3	L45 F47 I57 Y70 K71 G72 C93 F94	L45-V59 HydrophobicContact CD2-CG1 3.78Å; F47-V59 HydrophobicContact CD1-CG2 4.33Å; F47-V59 HydrophobicContact CD2-CG2 4.23Å; F47-V59 HydrophobicContact CE1-CG1 4.48Å; F47-V59 HydrophobicContact CE1-CG2 3.87Å; F47-V59 HydrophobicContact CE2-CG2 3.77Å; F47-V59 HydrophobicContact CZ-CG2 3.58Å; I57-V59 HydrophobicContact CG2-CG2 3.87Å; V59-Y70 HydrophobicContact CB-CE1 4.22Å; V59-Y70 HydrophobicContact CG1-CD1 4.47Å; V59-Y70 HydrophobicContact CG1-CE1 4.21Å; V59-K71 CarbonylContact O-C 3.59Å; V59-K71 WeakPolarHBondContact O-CA 3.17Å; V59-G72 PolarHBondContact N-O 3.29Å; V59-G72 PolarHBondContact O-N 3.37Å; V59-C93 WeakPolarHBondContact CA-O 3.19Å; V59-F94 HydrophobicContact CG1-CE1 4.27Å; V59-F94 HydrophobicContact CG2-CD1 3.83Å; V59-F94 HydrophobicContact CG2-CE1 3.9Å
60	E	95.8	Very high	90.9	Very high	58 Å²	58	55.2 Å²	55.2	27%	0.271	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.9	176.8	-170.2	172.8	166.8	0	0	110.6	C93	E60-C93 PolarHBondContact N-O 2.78Å; E60-C93 PolarHBondContact O-N 2.76Å
61	I	96.2	Very high	91.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120	175.6	-53.4	178.5	0	0	0	108.1	L45 I69 Y70 F82 K91 F92	L45-I61 HydrophobicContact CB-CD1 4.5Å; L45-I61 HydrophobicContact CD2-CD1 3.98Å; L45-I61 HydrophobicContact CD2-CG1 4.45Å; I61-I69 HydrophobicContact CB-CB 4.45Å; I61-I69 HydrophobicContact CG2-CB 4.26Å; I61-I69 HydrophobicContact CG2-CD1 4.33Å; I61-I69 PolarHBondContact O-N 2.96Å; I61-Y70 HydrophobicContact CD1-CD1 4.01Å; I61-Y70 HydrophobicContact CD1-CG 4.42Å; I61-Y70 HydrophobicContact CG1-CD1 4.13Å; I61-Y70 PolarHBondContact N-O 2.94Å; I61-Y70 PolarHBondContact O-N 3.15Å; I61-F82 HydrophobicContact CD1-CE1 3.92Å; I61-F82 HydrophobicContact CG2-CE1 3.94Å; I61-F82 HydrophobicContact CG2-CE2 4.31Å; I61-F82 HydrophobicContact CG2-CZ 3.58Å; I61-K91 CarbonylContact C-O 3.59Å; I61-K91 WeakPolarHBondContact CA-O 3.29Å; I61-F92 HydrophobicContact CD1-CD1 3.92Å; I61-F92 HydrophobicContact CD1-CE1 3.95Å; I61-F92 HydrophobicContact CG1-CD1 3.85Å; I61-F92 HydrophobicContact CG1-CE1 4.28Å; I61-F92 HydrophobicContact CG2-CD1 4.09Å; I61-F92 HydrophobicContact CG2-CE1 4.01Å
62	T	96.3	Very high	91.6	Very high	8 Å²	8	52.3 Å²	52.3	5%	0.049	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.7	-179.5	-34	0	0	0	0	110.7	Y90 K91	T62-Y90 WeakPolarHBondContact O-CA 3.43Å; T62-K91 PolarHBondContact N-O 3.47Å; T62-K91 PolarHBondContact O-N 3.2Å; T62-K91 WeakPolarHBondContact OG1-CE 3.12Å
63	G	94	Very high	92.2	Very high	4 Å²	4	56.4 Å²	56.4	4%	0.041	30%	0.304	C	S	.	.			trans	-76.8	171.3	171.5	0	0	0	0	0	113.7	D65 N66 K67	G63-D65 PolarHBondContact O-N 2.84Å; G63-N66 PolarHBondContact O-N 2.84Å; G63-K67 PolarHBondContact N-O 2.83Å
64	P	94.8	Very high	92.7	Very high	44 Å²	44	62 Å²	62	29%	0.286	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.4	177.9	25.9	-34.8	0	0	0	114	N66 M86 T89 Y90	P64-N66 VanDerWaalsContact C-N 3.28Å; P64-M86 HydrophobicContact CG-CE 4.29Å; P64-M86 HydrophobicContact CG-CG 3.5Å; P64-M86 VanDerWaalsContact CG-CG 3.5Å; P64-M86 HydrophobicContact CG-SD 3.83Å; P64-T89 WeakPolarHBondContact CA-O 3.25Å; P64-T89 WeakPolarHBondContact CB-O 3.16Å; P64-Y90 HydrophobicContact CG-CE2 4.29Å
65	D	93.6	Very high	93.1	Very high	70 Å²	70	56.3 Å²	56.3	37%	0.374	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	7.7	173.1	57.5	-20.1	0	0	0	113.6	G63 K67 H85 M86	G63-D65 PolarHBondContact O-N 2.84Å; D65-K67 VanDerWaalsContact CG-CB 3.48Å; D65-K67 PolarHBondContact O-N 3.41Å; D65-K67 WeakPolarHBondContact OD1-CB 3.49Å; D65-K67 PolarHBondContact OD1-N 3.08Å; D65-K67 VanDerWaalsContact OD2-CB 3.29Å; D65-K67 WeakPolarHBondContact OD2-CB 3.21Å; D65-H85 VanDerWaalsContact CG-NE2 3.32Å; D65-H85 IonicContact OD1-CE1 2.94Å; D65-H85 IonicContact OD1-NE2 3.55Å; D65-H85 PolarHBondContact OD1-NE2 2.79Å; D65-H85 VanDerWaalsContact OD1-NE2 3.11Å; D65-H85 IonicContact OD2-CD2 3.23Å; D65-H85 IonicContact OD2-NE2 3.51Å; D65-H85 PolarHBondContact OD2-NE2 3.37Å; D65-H85 VanDerWaalsContact OD2-NE2 3.1Å; D65-M86 HydrophobicContact CB-SD 3.78Å
66	N	91.3	Very high	93.3	Very high	140 Å²	140	55.5 Å²	55.5	75%	0.749	29%	0.287	S	S	*	.	S	Bend	trans	59.7	19.2	-169.7	-67.2	-59.6	0	0	0	114.1	G63 P64	G63-N66 PolarHBondContact O-N 2.84Å; P64-N66 VanDerWaalsContact C-N 3.28Å
67	K	91.4	Very high	93.4	Very high	132 Å²	132	57.9 Å²	57.9	57%	0.574	31%	0.305	S	S	*	.			trans	-82.1	127.6	173.9	-170.4	177.7	177.7	-175.7	0	109.8	G63 D65 I69	G63-K67 PolarHBondContact N-O 2.83Å; D65-K67 VanDerWaalsContact CG-CB 3.48Å; D65-K67 PolarHBondContact O-N 3.41Å; D65-K67 WeakPolarHBondContact OD1-CB 3.49Å; D65-K67 PolarHBondContact OD1-N 3.08Å; D65-K67 VanDerWaalsContact OD2-CB 3.29Å; D65-K67 WeakPolarHBondContact OD2-CB 3.21Å; K67-I69 PolarHBondContact O-N 3.16Å
68	G	91.9	Very high	93.2	Very high	52 Å²	52	58.6 Å²	58.6	54%	0.536	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	117.9	171.1	0	0	0	0	0	110.2
69	I	93.7	Very high	93.1	Very high	60 Å²	60	62.5 Å²	62.5	31%	0.308	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-42.9	177.8	-62.4	172.6	0	0	0	109.4	I61 K67 F82 Y90	I61-I69 HydrophobicContact CB-CB 4.45Å; I61-I69 HydrophobicContact CG2-CB 4.26Å; I61-I69 HydrophobicContact CG2-CD1 4.33Å; I61-I69 PolarHBondContact O-N 2.96Å; K67-I69 PolarHBondContact O-N 3.16Å; I69-F82 HydrophobicContact CD1-CD2 4.11Å; I69-F82 HydrophobicContact CD1-CE2 3.64Å; I69-F82 HydrophobicContact CD1-CZ 4.42Å; I69-F82 HydrophobicContact CG2-CB 4.44Å; I69-F82 HydrophobicContact CG2-CD2 3.85Å; I69-F82 HydrophobicContact CG2-CE2 4.2Å; I69-F82 HydrophobicContact CG2-CG 4.07Å; I69-Y90 HydrophobicContact CD1-CD1 3.48Å; I69-Y90 VanDerWaalsContact CD1-CD1 3.48Å; I69-Y90 HydrophobicContact CD1-CE1 3.39Å
70	Y	94.4	Very high	93	Very high	42 Å²	42	65.1 Å²	65.1	17%	0.165	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	143.3	-179.4	172.3	-98.3	0	0	0	109.6	V59 I61 G72 E75 Y80	V59-Y70 HydrophobicContact CB-CE1 4.22Å; V59-Y70 HydrophobicContact CG1-CD1 4.47Å; V59-Y70 HydrophobicContact CG1-CE1 4.21Å; I61-Y70 HydrophobicContact CD1-CD1 4.01Å; I61-Y70 HydrophobicContact CD1-CG 4.42Å; I61-Y70 HydrophobicContact CG1-CD1 4.13Å; I61-Y70 PolarHBondContact N-O 2.94Å; I61-Y70 PolarHBondContact O-N 3.15Å; Y70-G72 WeakPolarHBondContact OH-CA 3.37Å; Y70-E75 PolarHBondContact OH-OE1 3.23Å; Y70-E75 PolarHBondContact OH-OE2 2.89Å; Y70-Y80 HydrophobicContact CD1-CD2 4.31Å; Y70-Y80 HydrophobicContact CD1-CE2 4.45Å; Y70-Y80 HydrophobicContact CD1-CG 4.4Å; Y70-Y80 AromaticContact CD2-CD1 3.94Å; Y70-Y80 HydrophobicContact CD2-CD1 3.94Å; Y70-Y80 AromaticContact CD2-CE1 3.84Å; Y70-Y80 HydrophobicContact CD2-CE1 3.84Å; Y70-Y80 HydrophobicContact CE1-CD1 4.49Å; Y70-Y80 AromaticContact CE1-CD2 3.87Å; Y70-Y80 HydrophobicContact CE1-CD2 3.87Å; Y70-Y80 HydrophobicContact CE1-CE1 4.29Å; Y70-Y80 AromaticContact CE1-CE2 3.61Å; Y70-Y80 HydrophobicContact CE1-CE2 3.61Å; Y70-Y80 HydrophobicContact CE1-CG 4.32Å; Y70-Y80 AromaticContact CE1-CZ 3.86Å; Y70-Y80 AromaticContact CE2-CD1 3.82Å; Y70-Y80 HydrophobicContact CE2-CD1 3.82Å; Y70-Y80 AromaticContact CE2-CE1 3.25Å; Y70-Y80 HydrophobicContact CE2-CE1 3.25Å; Y70-Y80 HydrophobicContact CE2-CE2 4.03Å; Y70-Y80 HydrophobicContact CE2-CG 4.44Å; Y70-Y80 AromaticContact CE2-CZ 3.39Å; Y70-Y80 HydrophobicContact CG-CD1 4.35Å; Y70-Y80 AromaticContact CZ-CE1 3.53Å; Y70-Y80 AromaticContact CZ-CE2 3.37Å; Y70-Y80 AromaticContact CZ-CZ 3.13Å; Y70-Y80 VanDerWaalsContact OH-CE2 3.31Å; Y70-Y80 WeakPolarHBondContact OH-CE2 3.34Å; Y70-Y80 PolarHBondContact OH-OH 3.39Å
71	K	94.7	Very high	92.7	Very high	123 Å²	123	66.7 Å²	66.7	54%	0.535	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	115.2	174.6	-173.3	-179.6	177.2	-170.6	0	108.5	V59 D73	V59-K71 CarbonylContact O-C 3.59Å; V59-K71 WeakPolarHBondContact O-CA 3.17Å; K71-D73 VanDerWaalsContact CE-OD1 3.32Å; K71-D73 WeakPolarHBondContact CE-OD1 3.49Å
72	G	93.5	Very high	92.4	Very high	3 Å²	3	68.2 Å²	68.2	3%	0.031	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.6	173.8	0	0	0	0	0	109.4	D58 V59 Y70	D58-G72 CarbonylContact C-O 3.48Å; D58-G72 WeakPolarHBondContact CA-O 3Å; V59-G72 PolarHBondContact N-O 3.29Å; V59-G72 PolarHBondContact O-N 3.37Å; Y70-G72 WeakPolarHBondContact OH-CA 3.37Å
73	D	92.6	Very high	92.1	Very high	101 Å²	101	70.6 Å²	70.6	54%	0.54	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.6	173.5	-61.5	-48	0	0	0	108.1	K71	K71-D73 VanDerWaalsContact CE-OD1 3.32Å; K71-D73 WeakPolarHBondContact CE-OD1 3.49Å
74	R	89.6	Confident	92	Very high	165 Å²	165	70.5 Å²	70.5	62%	0.623	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	58.4	50.3	175.5	-51.6	-177.9	65.1	-166.2	-3.5	115.8	D56 I57 D58	D56-R74 HydrophobicContact CB-CB 4.06Å; D56-R74 IonicContact OD2-CZ 2.71Å; D56-R74 IonicContact OD2-NE 3.11Å; D56-R74 PolarHBondContact OD2-NE 2.78Å; D56-R74 IonicContact OD2-NH2 2.92Å; D56-R74 PolarHBondContact OD2-NH2 3.19Å; I57-R74 PolarHBondContact O-N 2.94Å; D58-R74 PolarHBondContact OD1-N 2.93Å
75	E	92.1	Very high	91.9	Very high	48 Å²	48	72.4 Å²	72.4	22%	0.224	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	138	174.9	-62.1	-162.5	171.9	0	0	111.5	F47 D56 I57 Y70 Y80	F47-E75 HydrophobicContact CE2-CB 4.06Å; F47-E75 HydrophobicContact CZ-CB 3.79Å; D56-E75 CarbonylContact C-O 3.56Å; I57-E75 PolarHBondContact N-O 3.26Å; I57-E75 PolarHBondContact O-N 2.68Å; Y70-E75 PolarHBondContact OH-OE1 3.23Å; Y70-E75 PolarHBondContact OH-OE2 2.89Å; E75-Y80 VanDerWaalsContact CD-OH 3.24Å; E75-Y80 PolarHBondContact OE1-OH 3.34Å; E75-Y80 WeakPolarHBondContact OE2-CE2 3.32Å; E75-Y80 PolarHBondContact OE2-OH 2.97Å
76	S	91.2	Very high	91.7	Very high	68 Å²	68	72.5 Å²	72.5	48%	0.476	38%	0.382	S	S	.	.	S	Bend	trans	-85.9	-32.5	175.6	57.7	0	0	0	0	112.8	V49 L55	V49-S76 WeakPolarHBondContact CG2-O 3.3Å; V49-S76 PolarHBondContact N-O 3.14Å; L55-S76 WeakPolarHBondContact O-CA 3.21Å; L55-S76 WeakPolarHBondContact O-CB 3.36Å
77	S	93.1	Very high	91.8	Very high	66 Å²	66	70.7 Å²	70.7	46%	0.462	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	155.4	176.5	56.7	0	0	0	0	110.1	F47	F47-S77 VanDerWaalsContact O-CA 3.22Å; F47-S77 WeakPolarHBondContact O-CA 3.48Å; F47-S77 WeakPolarHBondContact O-CB 3.11Å
78	G	88.4	Confident	92	Very high	16 Å²	16	65.1 Å²	65.1	17%	0.165	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	154.2	-178.8	0	0	0	0	0	112.9	I46 F47	I46-G78 WeakPolarHBondContact CA-O 3.49Å; F47-G78 PolarHBondContact N-O 2.95Å; F47-G78 PolarHBondContact O-N 3.32Å
79	K	92.3	Very high	92.1	Very high	109 Å²	109	65.5 Å²	65.5	47%	0.474	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.1	169.7	176.7	174.1	-179.6	-175.6	0	108.4	L45 I46	L45-K79 CarbonylContact O-C 3.49Å; L45-K79 WeakPolarHBondContact O-CA 3.31Å; I46-K79 HydrophobicContact CD1-CD 4.34Å; I46-K79 HydrophobicContact CG1-CB 4.26Å; I46-K79 HydrophobicContact CG1-CD 4.2Å; I46-K79 HydrophobicContact CG1-CG 3.88Å
80	Y	91.3	Very high	92.2	Very high	59 Å²	59	62.7 Å²	62.7	23%	0.231	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.4	-179	-67.5	-72	0	0	0	109.7	G44 L45 F47 Y70 E75	G44-Y80 CarbonylContact C-O 3.5Å; G44-Y80 VanDerWaalsContact CA-O 3.28Å; G44-Y80 WeakPolarHBondContact CA-O 3.34Å; L45-Y80 PolarHBondContact N-O 2.85Å; L45-Y80 PolarHBondContact O-N 3.13Å; F47-Y80 HydrophobicContact CE1-CD2 4.02Å; F47-Y80 AromaticContact CE1-CE2 3.79Å; F47-Y80 HydrophobicContact CE1-CE2 3.79Å; F47-Y80 HydrophobicContact CZ-CE2 4.41Å; Y70-Y80 HydrophobicContact CD1-CD2 4.31Å; Y70-Y80 HydrophobicContact CD1-CE2 4.45Å; Y70-Y80 HydrophobicContact CD1-CG 4.4Å; Y70-Y80 AromaticContact CD2-CD1 3.94Å; Y70-Y80 HydrophobicContact CD2-CD1 3.94Å; Y70-Y80 AromaticContact CD2-CE1 3.84Å; Y70-Y80 HydrophobicContact CD2-CE1 3.84Å; Y70-Y80 HydrophobicContact CE1-CD1 4.49Å; Y70-Y80 AromaticContact CE1-CD2 3.87Å; Y70-Y80 HydrophobicContact CE1-CD2 3.87Å; Y70-Y80 HydrophobicContact CE1-CE1 4.29Å; Y70-Y80 AromaticContact CE1-CE2 3.61Å; Y70-Y80 HydrophobicContact CE1-CE2 3.61Å; Y70-Y80 HydrophobicContact CE1-CG 4.32Å; Y70-Y80 AromaticContact CE1-CZ 3.86Å; Y70-Y80 AromaticContact CE2-CD1 3.82Å; Y70-Y80 HydrophobicContact CE2-CD1 3.82Å; Y70-Y80 AromaticContact CE2-CE1 3.25Å; Y70-Y80 HydrophobicContact CE2-CE1 3.25Å; Y70-Y80 HydrophobicContact CE2-CE2 4.03Å; Y70-Y80 HydrophobicContact CE2-CG 4.44Å; Y70-Y80 AromaticContact CE2-CZ 3.39Å; Y70-Y80 HydrophobicContact CG-CD1 4.35Å; Y70-Y80 AromaticContact CZ-CE1 3.53Å; Y70-Y80 AromaticContact CZ-CE2 3.37Å; Y70-Y80 AromaticContact CZ-CZ 3.13Å; Y70-Y80 VanDerWaalsContact OH-CE2 3.31Å; Y70-Y80 WeakPolarHBondContact OH-CE2 3.34Å; Y70-Y80 PolarHBondContact OH-OH 3.39Å; E75-Y80 VanDerWaalsContact CD-OH 3.24Å; E75-Y80 PolarHBondContact OE1-OH 3.34Å; E75-Y80 WeakPolarHBondContact OE2-CE2 3.32Å; E75-Y80 PolarHBondContact OE2-OH 2.97Å
81	T	90.2	Very high	92.3	Very high	91 Å²	91	63.4 Å²	63.4	56%	0.558	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.2	176.2	-54.6	0	0	0	0	108.8	M43	M43-T81 CarbonylContact O-C 3.59Å; M43-T81 VanDerWaalsContact O-CA 3.29Å; M43-T81 WeakPolarHBondContact O-CA 3.45Å
82	F	90.3	Very high	92.4	Very high	32 Å²	32	57.6 Å²	57.6	14%	0.14	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	158.9	-179.9	65.8	-80.1	0	0	0	110.4	K42 M43 I61 I69 Y90 F92	K42-F82 CarbonylContact C-O 3.58Å; K42-F82 WeakPolarHBondContact CA-O 3.21Å; M43-F82 HydrophobicContact CB-CE1 4.17Å; M43-F82 HydrophobicContact CB-CZ 4.14Å; M43-F82 HydrophobicContact CE-CD2 4.03Å; M43-F82 HydrophobicContact CE-CE2 3.23Å; M43-F82 HydrophobicContact CE-CZ 3.58Å; M43-F82 PolarHBondContact N-O 3.46Å; M43-F82 PolarHBondContact O-N 2.82Å; M43-F82 HydrophobicContact SD-CE2 4.49Å; M43-F82 HydrophobicContact SD-CZ 4.29Å; I61-F82 HydrophobicContact CD1-CE1 3.92Å; I61-F82 HydrophobicContact CG2-CE1 3.94Å; I61-F82 HydrophobicContact CG2-CE2 4.31Å; I61-F82 HydrophobicContact CG2-CZ 3.58Å; I69-F82 HydrophobicContact CD1-CD2 4.11Å; I69-F82 HydrophobicContact CD1-CE2 3.64Å; I69-F82 HydrophobicContact CD1-CZ 4.42Å; I69-F82 HydrophobicContact CG2-CB 4.44Å; I69-F82 HydrophobicContact CG2-CD2 3.85Å; I69-F82 HydrophobicContact CG2-CE2 4.2Å; I69-F82 HydrophobicContact CG2-CG 4.07Å; F82-Y90 AromaticContact CE2-CD1 3.77Å; F82-Y90 HydrophobicContact CE2-CD1 3.77Å; F82-Y90 AromaticContact CE2-CE1 3.97Å; F82-Y90 HydrophobicContact CE2-CE1 3.97Å; F82-Y90 HydrophobicContact CZ-CD1 4.29Å; F82-F92 AromaticContact CE1-CE1 3.8Å; F82-F92 HydrophobicContact CE1-CE1 3.8Å; F82-F92 HydrophobicContact CE1-CZ 4.08Å; F82-F92 AromaticContact CZ-CE1 3.92Å; F82-F92 HydrophobicContact CZ-CE1 3.92Å; F82-F92 AromaticContact CZ-CZ 3.81Å; F82-F92 HydrophobicContact CZ-CZ 3.81Å
83	A	90.4	Very high	92.5	Very high	57 Å²	57	57.5 Å²	57.5	47%	0.471	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.5	174.3	0	0	0	0	0	110	T41 H85	T41-A83 WeakPolarHBondContact O-CA 3.34Å; A83-H85 PolarHBondContact O-N 3.12Å
84	A	92.2	Very high	92.6	Very high	3 Å²	3	52.7 Å²	52.7	3%	0.025	28%	0.282	C	S	.	.			trans	-59.5	119.2	173	0	0	0	0	0	110	V37 T38 G40 T41 M43 M86 Y90	V37-A84 HydrophobicContact CG2-CB 3.72Å; T38-A84 WeakPolarHBondContact O-CB 3.41Å; G40-A84 PolarHBondContact N-O 2.82Å; T41-A84 PolarHBondContact O-N 2.85Å; M43-A84 HydrophobicContact CE-CB 4.02Å; A84-M86 VanDerWaalsContact C-N 3.33Å; A84-Y90 WeakPolarHBondContact CA-OH 3.29Å; A84-Y90 HydrophobicContact CB-CE2 3.91Å; A84-Y90 WeakPolarHBondContact CB-OH 3.28Å
85	H	90.9	Very high	92.8	Very high	83 Å²	83	45.2 Å²	45.2	38%	0.384	26%	0.255	S	S	.	.	S	Bend	trans	-77.6	-22.7	177.2	61.2	-76.8	0	0	0	112.9	S39 D65 A83 Y90	S39-H85 PolarHBondContact OG-O 3.48Å; D65-H85 VanDerWaalsContact CG-NE2 3.32Å; D65-H85 IonicContact OD1-CE1 2.94Å; D65-H85 IonicContact OD1-NE2 3.55Å; D65-H85 PolarHBondContact OD1-NE2 2.79Å; D65-H85 VanDerWaalsContact OD1-NE2 3.11Å; D65-H85 IonicContact OD2-CD2 3.23Å; D65-H85 IonicContact OD2-NE2 3.51Å; D65-H85 PolarHBondContact OD2-NE2 3.37Å; D65-H85 VanDerWaalsContact OD2-NE2 3.1Å; A83-H85 PolarHBondContact O-N 3.12Å; H85-Y90 AromaticContact CE1-CE1 3.93Å; H85-Y90 PolarHBondContact N-OH 2.82Å; H85-Y90 AromaticContact ND1-CE1 3.83Å; H85-Y90 AromaticContact ND1-CZ 3.99Å; H85-Y90 PolarHBondContact ND1-OH 3Å
86	M	91.3	Very high	92.7	Very high	73 Å²	73	43 Å²	43	36%	0.36	24%	0.244	S	C	.	.	S	Bend	trans	-153	160.2	178.1	66.1	-174.5	-67.8	0	0	111.6	P64 D65 A84 Y90	P64-M86 HydrophobicContact CG-CE 4.29Å; P64-M86 HydrophobicContact CG-CG 3.5Å; P64-M86 VanDerWaalsContact CG-CG 3.5Å; P64-M86 HydrophobicContact CG-SD 3.83Å; D65-M86 HydrophobicContact CB-SD 3.78Å; A84-M86 VanDerWaalsContact C-N 3.33Å; M86-Y90 PolarHBondContact N-OH 2.71Å; M86-Y90 WeakPolarHBondContact O-CE2 3.46Å; M86-Y90 PolarHBondContact O-OH 2.63Å
87	D	93.3	Very high	92.2	Very high	102 Å²	102	46.4 Å²	46.4	55%	0.545	25%	0.247	S	C	.	.	S	Bend	trans	-65.7	131.1	173.8	-65.9	19.9	0	0	0	110.4	S39	S39-D87 WeakPolarHBondContact CA-OD1 3.36Å; S39-D87 WeakPolarHBondContact CB-OD1 3.25Å; S39-D87 PolarHBondContact N-OD1 3.33Å
88	G	93.9	Very high	91	Very high	15 Å²	15	50.7 Å²	50.7	16%	0.155	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.1	-167	174.9	0	0	0	0	0	113.7	R36 V37	R36-G88 WeakPolarHBondContact CA-O 3.26Å; V37-G88 PolarHBondContact N-O 3.31Å; V37-G88 PolarHBondContact O-N 3.24Å
89	T	95.7	Very high	89.9	Confident	60 Å²	60	50.5 Å²	50.5	37%	0.368	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.1	178.4	-58.5	0	0	0	0	110.2	F34 E35 P64	F34-T89 HydrophobicContact CB-CG2 3.77Å; F34-T89 HydrophobicContact CD1-CG2 3.9Å; F34-T89 HydrophobicContact CG-CG2 4.31Å; E35-T89 CarbonylContact O-C 3.54Å; E35-T89 WeakPolarHBondContact O-CA 3.41Å; P64-T89 WeakPolarHBondContact CA-O 3.25Å; P64-T89 WeakPolarHBondContact CB-O 3.16Å
90	Y	95.8	Very high	88.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	143.6	172.3	-69.7	-104.5	0	0	0	109.1	F34 E35 V37 M43 T62 P64 I69 F82 A84 H85 M86	F34-Y90 WeakPolarHBondContact CA-O 3.16Å; E35-Y90 PolarHBondContact N-O 3.39Å; E35-Y90 PolarHBondContact O-N 2.88Å; V37-Y90 HydrophobicContact CG2-CD2 3.48Å; V37-Y90 VanDerWaalsContact CG2-CD2 3.48Å; V37-Y90 HydrophobicContact CG2-CE2 3.44Å; V37-Y90 VanDerWaalsContact CG2-CE2 3.44Å; M43-Y90 HydrophobicContact CE-CD1 3.71Å; M43-Y90 HydrophobicContact CE-CD2 3.78Å; M43-Y90 HydrophobicContact CE-CE1 3.89Å; M43-Y90 HydrophobicContact CE-CE2 4.01Å; M43-Y90 HydrophobicContact CE-CG 3.65Å; M43-Y90 HydrophobicContact SD-CD2 4.26Å; M43-Y90 HydrophobicContact SD-CG 4.18Å; T62-Y90 WeakPolarHBondContact O-CA 3.43Å; P64-Y90 HydrophobicContact CG-CE2 4.29Å; I69-Y90 HydrophobicContact CD1-CD1 3.48Å; I69-Y90 VanDerWaalsContact CD1-CD1 3.48Å; I69-Y90 HydrophobicContact CD1-CE1 3.39Å; F82-Y90 AromaticContact CE2-CD1 3.77Å; F82-Y90 HydrophobicContact CE2-CD1 3.77Å; F82-Y90 AromaticContact CE2-CE1 3.97Å; F82-Y90 HydrophobicContact CE2-CE1 3.97Å; F82-Y90 HydrophobicContact CZ-CD1 4.29Å; A84-Y90 WeakPolarHBondContact CA-OH 3.29Å; A84-Y90 HydrophobicContact CB-CE2 3.91Å; A84-Y90 WeakPolarHBondContact CB-OH 3.28Å; H85-Y90 AromaticContact CE1-CE1 3.93Å; H85-Y90 PolarHBondContact N-OH 2.82Å; H85-Y90 AromaticContact ND1-CE1 3.83Å; H85-Y90 AromaticContact ND1-CZ 3.99Å; H85-Y90 PolarHBondContact ND1-OH 3Å; M86-Y90 PolarHBondContact N-OH 2.71Å; M86-Y90 WeakPolarHBondContact O-CE2 3.46Å; M86-Y90 PolarHBondContact O-OH 2.63Å
91	K	95.9	Very high	87.5	Confident	58 Å²	58	55.7 Å²	55.7	25%	0.252	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.8	-176	-174.3	-175.9	66.2	156.2	0	109.7	C32 F33 F34 I61 T62 C93	C32-K91 HydrophobicContact CB-CD 4.29Å; C32-K91 HydrophobicContact CB-CG 4.07Å; F33-K91 CarbonylContact O-C 3.53Å; F33-K91 WeakPolarHBondContact O-CA 3.42Å; F34-K91 HydrophobicContact CD1-CB 4.07Å; F34-K91 HydrophobicContact CD1-CG 3.99Å; F34-K91 HydrophobicContact CE1-CB 3.97Å; F34-K91 HydrophobicContact CE1-CD 3.69Å; F34-K91 HydrophobicContact CE1-CG 3.51Å; F34-K91 HydrophobicContact CZ-CD 4.03Å; F34-K91 HydrophobicContact CZ-CG 4Å; I61-K91 CarbonylContact C-O 3.59Å; I61-K91 WeakPolarHBondContact CA-O 3.29Å; T62-K91 PolarHBondContact N-O 3.47Å; T62-K91 PolarHBondContact O-N 3.2Å; T62-K91 WeakPolarHBondContact OG1-CE 3.12Å; K91-C93 WeakPolarHBondContact CD-SG 3.46Å; K91-C93 WeakPolarHBondContact CE-SG 3.38Å; K91-C93 VanDerWaalsContact CG-SG 3.52Å
92	F	96	Very high	87.1	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	109.9	176.7	-59.9	-97.7	0	0	0	108.5	C32 F33 E35 M43 L45 I61 F82 I110	C32-F92 CarbonylContact C-O 3.55Å; C32-F92 VanDerWaalsContact CA-O 3.28Å; C32-F92 WeakPolarHBondContact CA-O 3.13Å; F33-F92 PolarHBondContact N-O 2.83Å; F33-F92 PolarHBondContact O-N 2.8Å; E35-F92 HydrophobicContact CB-CE2 4.32Å; M43-F92 HydrophobicContact SD-CZ 4.22Å; L45-F92 HydrophobicContact CB-CD1 4.31Å; L45-F92 HydrophobicContact CB-CE1 4.18Å; L45-F92 HydrophobicContact CD1-CD1 4.22Å; L45-F92 HydrophobicContact CD2-CD1 4.15Å; L45-F92 HydrophobicContact CG-CD1 4.46Å; I61-F92 HydrophobicContact CD1-CD1 3.92Å; I61-F92 HydrophobicContact CD1-CE1 3.95Å; I61-F92 HydrophobicContact CG1-CD1 3.85Å; I61-F92 HydrophobicContact CG1-CE1 4.28Å; I61-F92 HydrophobicContact CG2-CD1 4.09Å; I61-F92 HydrophobicContact CG2-CE1 4.01Å; F82-F92 AromaticContact CE1-CE1 3.8Å; F82-F92 HydrophobicContact CE1-CE1 3.8Å; F82-F92 HydrophobicContact CE1-CZ 4.08Å; F82-F92 AromaticContact CZ-CE1 3.92Å; F82-F92 HydrophobicContact CZ-CE1 3.92Å; F82-F92 AromaticContact CZ-CZ 3.81Å; F82-F92 HydrophobicContact CZ-CZ 3.81Å; F92-I110 HydrophobicContact CB-CD1 4.39Å; F92-I110 HydrophobicContact CD2-CD1 4Å; F92-I110 HydrophobicContact CE2-CD1 4.47Å; F92-I110 HydrophobicContact CE2-CG2 4.24Å; F92-I110 HydrophobicContact CG-CD1 4.14Å; F92-I110 HydrophobicContact CZ-CG2 4.19Å
93	C	95.6	Very high	86.9	Confident	1 Å²	1	56 Å²	56	1%	0.007	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.8	-176.2	-64.4	0	0	0	0	111.7	E30 E31 C32 V59 E60 K91	E30-C93 HydrophobicContact CG-CB 3.9Å; E31-C93 CarbonylContact O-C 3.53Å; E31-C93 WeakPolarHBondContact O-CA 3.11Å; C32-C93 HydrophobicContact CB-CB 4.19Å; C32-C93 WeakPolarHBondContact CB-SG 3.28Å; C32-C93 WeakPolarHBondContact SG-CB 3.33Å; C32-C93 CovalentContact SG-SG 2.05Å; C32-C93 PolarHBondContact SG-SG 2.97Å; V59-C93 WeakPolarHBondContact CA-O 3.19Å; E60-C93 PolarHBondContact N-O 2.78Å; E60-C93 PolarHBondContact O-N 2.76Å; K91-C93 WeakPolarHBondContact CD-SG 3.46Å; K91-C93 WeakPolarHBondContact CE-SG 3.38Å; K91-C93 VanDerWaalsContact CG-SG 3.52Å
94	F	95.3	Very high	86.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.3	171.5	-62.2	-79.8	0	0	0	109	I25 E30 E31 F33 L45 F47 I57 D58 V59 V106 F108	I25-F94 HydrophobicContact CD1-CB 4.05Å; I25-F94 HydrophobicContact CG1-CB 4.13Å; E30-F94 VanDerWaalsContact CA-O 3.31Å; E30-F94 WeakPolarHBondContact CA-O 3.31Å; E31-F94 PolarHBondContact N-O 2.05Å; E31-F94 PolarHBondContact O-N 2.93Å; F33-F94 HydrophobicContact CD2-CD2 4.18Å; F33-F94 HydrophobicContact CD2-CE2 4.11Å; F33-F94 HydrophobicContact CE2-CD2 4.04Å; F33-F94 HydrophobicContact CE2-CE2 4.19Å; L45-F94 HydrophobicContact CD1-CZ 4.14Å; F47-F94 HydrophobicContact CB-CE1 3.89Å; F47-F94 HydrophobicContact CB-CZ 4.15Å; F47-F94 HydrophobicContact CD1-CE1 4.48Å; F47-F94 HydrophobicContact CD2-CE1 4.35Å; F47-F94 AromaticContact CG-CE1 3.99Å; F47-F94 HydrophobicContact CG-CE1 3.99Å; I57-F94 HydrophobicContact CG1-CB 4.2Å; I57-F94 HydrophobicContact CG1-CD1 4.4Å; I57-F94 HydrophobicContact CG2-CD1 4.39Å; D58-F94 WeakPolarHBondContact O-CA 3.35Å; V59-F94 HydrophobicContact CG1-CE1 4.27Å; V59-F94 HydrophobicContact CG2-CD1 3.83Å; V59-F94 HydrophobicContact CG2-CE1 3.9Å; F94-V106 HydrophobicContact CD1-CG1 4.21Å; F94-V106 HydrophobicContact CE1-CG1 4.05Å; F94-V106 HydrophobicContact CZ-CG1 4.46Å; F94-F108 HydrophobicContact CE2-CB 4.28Å; F94-F108 HydrophobicContact CE2-CD1 4.04Å; F94-F108 HydrophobicContact CE2-CD2 4.12Å; F94-F108 HydrophobicContact CE2-CE1 4.48Å; F94-F108 AromaticContact CE2-CG 3.86Å; F94-F108 HydrophobicContact CE2-CG 3.86Å; F94-F108 HydrophobicContact CZ-CB 3.81Å; F94-F108 HydrophobicContact CZ-CD1 4.39Å; F94-F108 HydrophobicContact CZ-CD2 4.34Å; F94-F108 AromaticContact CZ-CG 3.92Å; F94-F108 HydrophobicContact CZ-CG 3.92Å
95	S	93.6	Very high	86.8	Confident	8 Å²	8	55.9 Å²	55.9	6%	0.056	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.3	-171.8	-114.7	0	0	0	0	110.2	E30 I57 D58 R97	E30-S95 PolarHBondContact OE1-OG 2.84Å; I57-S95 WeakPolarHBondContact CD1-O 3.24Å; D58-S95 PolarHBondContact N-O 3.34Å; D58-S95 PolarHBondContact O-N 2.75Å; S95-R97 PolarHBondContact OG-NE 3.38Å
96	N	91.1	Very high	86.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.272	C	S	.	.			trans	-108.9	62.3	176	-174.9	18.3	0	0	0	111.7	I25 D26 H28 A29 I57 M98 S99 K104	I25-N96 HydrophobicContact CB-CB 4.33Å; I25-N96 HydrophobicContact CG2-CB 3.68Å; I25-N96 PolarHBondContact O-ND2 3.15Å; D26-N96 WeakPolarHBondContact O-CB 3.47Å; D26-N96 PolarHBondContact O-ND2 3.14Å; D26-N96 VanDerWaalsContact O-ND2 3.11Å; H28-N96 WeakPolarHBondContact CA-O 3.42Å; H28-N96 PolarHBondContact N-O 2.82Å; A29-N96 PolarHBondContact O-N 2.75Å; I57-N96 HydrophobicContact CD1-CB 4.13Å; N96-M98 PolarHBondContact O-N 2.86Å; N96-S99 WeakPolarHBondContact OD1-CB 3.42Å; N96-S99 PolarHBondContact OD1-N 3.26Å; N96-S99 PolarHBondContact OD1-OG 3.43Å; N96-K104 WeakPolarHBondContact OD1-CD 3.47Å; N96-K104 WeakPolarHBondContact OD1-CE 3.34Å
97	R	80.3	Confident	86.9	Confident	141 Å²	141	52 Å²	52	53%	0.532	27%	0.273	S	S	.	.			trans	-72.7	-26.9	-170	-66.4	-179.5	-177.3	-172.8	4	114.7	S95	S95-R97 PolarHBondContact OG-NE 3.38Å
98	M	67.4	Low	86.8	Confident	155 Å²	155	48.2 Å²	48.2	76%	0.764	25%	0.252	S	S	*	.	S	Bend	trans	-103.7	-28.1	-171.3	-164.4	67.4	-171.9	0	0	114.3	N96 T100	N96-M98 PolarHBondContact O-N 2.86Å; M98-T100 PolarHBondContact O-N 3.39Å; M98-T100 PolarHBondContact O-OG1 2.86Å
99	S	66	Low	86.6	Confident	12 Å²	12	51 Å²	51	8%	0.084	27%	0.266	C	S	.	.			trans	-78.5	120.6	-174.8	-58.8	0	0	0	0	110.6	A27 H28 N96 K104	A27-S99 VanDerWaalsContact CB-O 3.26Å; A27-S99 WeakPolarHBondContact CB-O 3.49Å; H28-S99 PolarHBondContact ND1-O 2.98Å; N96-S99 WeakPolarHBondContact OD1-CB 3.42Å; N96-S99 PolarHBondContact OD1-N 3.26Å; N96-S99 PolarHBondContact OD1-OG 3.43Å; S99-K104 WeakPolarHBondContact OG-CE 3.22Å; S99-K104 PolarHBondContact OG-NZ 2.89Å; S99-K104 VanDerWaalsContact OG-NZ 3.15Å
100	T	60.7	Low	86.3	Confident	102 Å²	102	49.7 Å²	49.7	63%	0.626	26%	0.256	S	S	*	.	S	Bend	trans	-97.9	-7.2	-164	-16.1	0	0	0	0	113.3	M98	M98-T100 PolarHBondContact O-N 3.39Å; M98-T100 PolarHBondContact O-OG1 2.86Å
101	M	71.6	Confident	86	Confident	176 Å²	176	53.7 Å²	53.7	87%	0.867	28%	0.278	S	S	*	.	S	Bend	trans	-137	-25.5	-169.2	-76.5	-70.1	173.5	0	0	116
102	T	82.2	Confident	85.7	Confident	64 Å²	64	54.8 Å²	54.8	39%	0.393	29%	0.285	S	S	.	.	S	Bend	trans	-131.3	142.1	-176.1	58.8	0	0	0	0	111.9
103	P	86.8	Confident	85	Confident	64 Å²	64	56.5 Å²	56.5	42%	0.416	30%	0.304	S	S	.	.			trans	-63	153.4	168.7	28.9	-34.2	0	0	0	110.2	I25	I25-P103 CarbonylContact O-C 3.59Å; I25-P103 VanDerWaalsContact O-CA 3.25Å; I25-P103 WeakPolarHBondContact O-CA 3.46Å
104	K	90.1	Very high	84	Confident	5 Å²	5	63.8 Å²	63.8	2%	0.022	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	135.9	173.9	-70.8	-177	172.5	172.3	0	109.9	S24 I25 E51 D56 I57 N96 S99	S24-K104 CarbonylContact C-O 3.5Å; S24-K104 WeakPolarHBondContact CA-O 3.13Å; I25-K104 PolarHBondContact N-O 3.34Å; I25-K104 PolarHBondContact O-N 2.92Å; E51-K104 WeakPolarHBondContact O-CA 3.48Å; D56-K104 WeakPolarHBondContact O-CD 3.37Å; D56-K104 WeakPolarHBondContact O-CE 3.35Å; D56-K104 PolarHBondContact O-NZ 3Å; D56-K104 IonicContact OD1-NZ 3.1Å; D56-K104 PolarHBondContact OD1-NZ 3.26Å; I57-K104 HydrophobicContact CD1-CB 4.46Å; I57-K104 HydrophobicContact CD1-CD 3.84Å; N96-K104 WeakPolarHBondContact OD1-CD 3.47Å; N96-K104 WeakPolarHBondContact OD1-CE 3.34Å; S99-K104 WeakPolarHBondContact OG-CE 3.22Å; S99-K104 PolarHBondContact OG-NZ 2.89Å; S99-K104 VanDerWaalsContact OG-NZ 3.15Å
105	I	90.1	Very high	82.5	Confident	53 Å²	53	65.6 Å²	65.6	27%	0.272	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.8	176.8	-55.9	-179	0	0	0	107.8	F22 V23 A50 E51	F22-I105 HydrophobicContact CB-CG2 3.97Å; F22-I105 HydrophobicContact CD1-CG2 4.49Å; V23-I105 WeakPolarHBondContact O-CA 3.44Å; A50-I105 HydrophobicContact CB-CB 4.48Å; A50-I105 HydrophobicContact CB-CG2 4.25Å; A50-I105 PolarHBondContact N-O 2.96Å; E51-I105 HydrophobicContact CB-CB 4.24Å; E51-I105 HydrophobicContact CB-CD1 4.2Å; E51-I105 HydrophobicContact CB-CG1 4.35Å; E51-I105 PolarHBondContact N-O 2.94Å; E51-I105 PolarHBondContact O-N 2.86Å
106	V	92	Very high	81.1	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127	179.1	-176.4	0	0	0	0	109	F22 V23 I25 F47 V49 I57 F94	F22-V106 WeakPolarHBondContact CA-O 3.45Å; V23-V106 HydrophobicContact CG1-CB 4.08Å; V23-V106 PolarHBondContact N-O 2.92Å; V23-V106 PolarHBondContact O-N 2.82Å; I25-V106 HydrophobicContact CD1-CB 4.06Å; I25-V106 HydrophobicContact CD1-CG2 3.58Å; F47-V106 HydrophobicContact CB-CG1 4.14Å; V49-V106 HydrophobicContact CG2-CG2 4.29Å; I57-V106 HydrophobicContact CB-CG2 4.41Å; I57-V106 HydrophobicContact CG1-CG2 4.19Å; I57-V106 HydrophobicContact CG2-CG2 4.43Å; F94-V106 HydrophobicContact CD1-CG1 4.21Å; F94-V106 HydrophobicContact CE1-CG1 4.05Å; F94-V106 HydrophobicContact CZ-CG1 4.46Å
107	M	90.9	Very high	79.4	Confident	76 Å²	76	77.2 Å²	77.2	37%	0.374	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.5	168.2	-175.3	172.1	59.1	0	0	107.7	F22 F47 E48	F22-M107 HydrophobicContact CD1-CB 3.86Å; F22-M107 HydrophobicContact CD1-CG 4.07Å; F22-M107 HydrophobicContact CD1-SD 4.49Å; F22-M107 HydrophobicContact CE1-CB 4.01Å; F22-M107 HydrophobicContact CE1-CG 3.9Å; F22-M107 HydrophobicContact CE1-SD 3.73Å; F22-M107 HydrophobicContact CZ-SD 4.49Å; F47-M107 CarbonylContact C-O 3.59Å; F47-M107 VanDerWaalsContact CA-O 3.25Å; F47-M107 WeakPolarHBondContact CA-O 3.45Å; E48-M107 PolarHBondContact N-O 2.83Å; E48-M107 PolarHBondContact O-N 3.06Å
108	F	92	Very high	77.9	Confident	21 Å²	21	73.4 Å²	73.4	9%	0.092	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	155.5	179.2	73.7	-81.1	0	0	0	112.4	V23 F33 L45 I46 F47 F94 I110	V23-F108 HydrophobicContact CB-CE1 4Å; V23-F108 HydrophobicContact CG1-CD1 3.8Å; V23-F108 HydrophobicContact CG1-CE1 3.61Å; F33-F108 HydrophobicContact CD1-CE2 4.26Å; F33-F108 AromaticContact CD1-CZ 3.77Å; F33-F108 HydrophobicContact CD1-CZ 3.77Å; F33-F108 HydrophobicContact CD2-CE1 4.26Å; F33-F108 AromaticContact CD2-CE2 3.94Å; F33-F108 HydrophobicContact CD2-CE2 3.94Å; F33-F108 AromaticContact CD2-CZ 3.63Å; F33-F108 HydrophobicContact CD2-CZ 3.63Å; F33-F108 HydrophobicContact CE1-CE1 4.22Å; F33-F108 HydrophobicContact CE1-CE2 4.44Å; F33-F108 AromaticContact CE1-CZ 3.52Å; F33-F108 HydrophobicContact CE1-CZ 3.52Å; F33-F108 AromaticContact CE2-CE1 3.62Å; F33-F108 HydrophobicContact CE2-CE1 3.62Å; F33-F108 HydrophobicContact CE2-CE2 4.13Å; F33-F108 AromaticContact CE2-CZ 3.37Å; F33-F108 HydrophobicContact CE2-CZ 3.37Å; F33-F108 HydrophobicContact CG-CE2 4.02Å; F33-F108 AromaticContact CG-CZ 3.83Å; F33-F108 HydrophobicContact CG-CZ 3.83Å; F33-F108 AromaticContact CZ-CE1 3.6Å; F33-F108 HydrophobicContact CZ-CE1 3.6Å; F33-F108 HydrophobicContact CZ-CE2 4.38Å; F33-F108 AromaticContact CZ-CZ 3.32Å; F33-F108 HydrophobicContact CZ-CZ 3.32Å; L45-F108 HydrophobicContact CD1-CD2 4.5Å; I46-F108 CarbonylContact O-C 3.53Å; I46-F108 WeakPolarHBondContact O-CA 3.15Å; I46-F108 WeakPolarHBondContact O-CB 3.31Å; F47-F108 HydrophobicContact CB-CB 3.94Å; F94-F108 HydrophobicContact CE2-CB 4.28Å; F94-F108 HydrophobicContact CE2-CD1 4.04Å; F94-F108 HydrophobicContact CE2-CD2 4.12Å; F94-F108 HydrophobicContact CE2-CE1 4.48Å; F94-F108 AromaticContact CE2-CG 3.86Å; F94-F108 HydrophobicContact CE2-CG 3.86Å; F94-F108 HydrophobicContact CZ-CB 3.81Å; F94-F108 HydrophobicContact CZ-CD1 4.39Å; F94-F108 HydrophobicContact CZ-CD2 4.34Å; F94-F108 AromaticContact CZ-CG 3.92Å; F94-F108 HydrophobicContact CZ-CG 3.92Å; F108-I110 HydrophobicContact CD2-CD1 4.25Å; F108-I110 HydrophobicContact CD2-CG1 4.02Å; F108-I110 HydrophobicContact CE2-CD1 3.92Å; F108-I110 HydrophobicContact CE2-CG1 4.13Å
109	T	89.3	Confident	76.8	Confident	73 Å²	73	75.1 Å²	75.1	45%	0.448	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.3	173.9	-53.7	0	0	0	0	108.8	I46 D111	I46-T109 PolarHBondContact N-O 3.4Å; I46-T109 PolarHBondContact O-N 3.38Å; T109-D111 WeakPolarHBondContact CG2-OD1 3.49Å
110	I	90.8	Very high	75.5	Confident	34 Å²	34	81.7 Å²	81.7	17%	0.174	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113.3	172.7	-57.6	170	0	0	0	107.5	F33 E35 G44 L45 F92 F108	F33-I110 HydrophobicContact CB-CD1 3.98Å; E35-I110 HydrophobicContact CG-CG2 4.05Å; G44-I110 CarbonylContact O-C 3.53Å; G44-I110 VanDerWaalsContact O-CA 3.31Å; G44-I110 WeakPolarHBondContact O-CA 3.39Å; L45-I110 HydrophobicContact CD1-CG1 3.95Å; F92-I110 HydrophobicContact CB-CD1 4.39Å; F92-I110 HydrophobicContact CD2-CD1 4Å; F92-I110 HydrophobicContact CE2-CD1 4.47Å; F92-I110 HydrophobicContact CE2-CG2 4.24Å; F92-I110 HydrophobicContact CG-CD1 4.14Å; F92-I110 HydrophobicContact CZ-CG2 4.19Å; F108-I110 HydrophobicContact CD2-CD1 4.25Å; F108-I110 HydrophobicContact CD2-CG1 4.02Å; F108-I110 HydrophobicContact CE2-CD1 3.92Å; F108-I110 HydrophobicContact CE2-CG1 4.13Å
111	D	88.8	Confident	74.7	Confident	84 Å²	84	85.2 Å²	85.2	45%	0.449	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.2	178.8	-65.1	-43.1	0	0	0	109.6	M43 G44 T109	M43-D111 CarbonylContact C-O 3.54Å; M43-D111 VanDerWaalsContact CA-O 3.29Å; M43-D111 WeakPolarHBondContact CA-O 3.25Å; G44-D111 PolarHBondContact N-O 3.37Å; G44-D111 PolarHBondContact O-N 2.83Å; T109-D111 WeakPolarHBondContact CG2-OD1 3.49Å
112	I	89.3	Confident	73.3	Confident	80 Å²	80	85.9 Å²	85.9	41%	0.41	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.9	176.8	-53.6	175.6	0	0	0	108.2	E35 V37 T41	E35-I112 HydrophobicContact CB-CD1 4.11Å; E35-I112 HydrophobicContact CG-CD1 3.89Å; E35-I112 WeakPolarHBondContact OE2-CD1 3.4Å; V37-I112 HydrophobicContact CG1-CD1 4.35Å; V37-I112 HydrophobicContact CG1-CG2 3.8Å; T41-I112 HydrophobicContact CG2-CG2 3.78Å
113	G	80.9	Confident	71.6	Confident	38 Å²	38	88.7 Å²	88.7	39%	0.392	49%	0.485	S	S	.	.			trans	-76.1	175.5	176.6	0	0	0	0	0	113.1	T41 K42	T41-G113 VanDerWaalsContact CG2-O 3.25Å; T41-G113 WeakPolarHBondContact CG2-O 3.45Å; K42-G113 WeakPolarHBondContact O-CA 3.37Å; K42-G113 PolarHBondContact O-N 2.94Å
114	E	74.9	Confident	69.4	Low	154 Å²	154	95.3 Å²	95.3	72%	0.72	51%	0.511	S	S	*	.			trans	-75.6	133.3	175.6	-156.5	172.6	172.2	0	0	110.1	K117	E114-K117 WeakPolarHBondContact OE1-CE 3.42Å; E114-K117 IonicContact OE1-NZ 3.9Å; E114-K117 PolarHBondContact OE1-NZ 2.87Å
115	A	64.8	Low	67	Low	37 Å²	37	98.8 Å²	98.8	31%	0.306	55%	0.548	S	S	.	.			trans	-64.7	143.9	175.1	0	0	0	0	0	110.4	T38 T41 K117	T38-A115 VanDerWaalsContact OG1-CB 3.3Å; T38-A115 WeakPolarHBondContact OG1-CB 3.32Å; T41-A115 WeakPolarHBondContact OG1-CB 3.44Å; A115-K117 PolarHBondContact O-N 2.91Å
116	P	62.7	Low	64.8	Low	85 Å²	85	100.4 Å²	100.4	55%	0.552	58%	0.578	S	S	*	*			trans	-60.8	113.1	172.7	23.9	-30.2	0	0	0	108.9	G118	P116-G118 PolarHBondContact O-N 2.89Å
117	K	55	Low	62.1	Low	167 Å²	167	102.5 Å²	102.5	73%	0.726	60%	0.599	S	S	*	*			trans	-61.8	123.8	167.7	-69.9	175.3	-175.2	154.3	0	106.3	E114 A115 Q119	E114-K117 WeakPolarHBondContact OE1-CE 3.42Å; E114-K117 IonicContact OE1-NZ 3.9Å; E114-K117 PolarHBondContact OE1-NZ 2.87Å; A115-K117 PolarHBondContact O-N 2.91Å; K117-Q119 PolarHBondContact O-N 3.02Å; K117-Q119 VanDerWaalsContact O-N 3.16Å
118	G	50.2	Low	60.3	Low	62 Å²	62	106.1 Å²	106.1	64%	0.639	62%	0.62	S	S	*	*			trans	-48.3	123.2	-178.5	0	0	0	0	0	110	P116 D120	P116-G118 PolarHBondContact O-N 2.89Å; G118-D120 PolarHBondContact O-N 2.85Å
119	Q	44	Very low	58.4	Low	190 Å²	190	110.5 Å²	110.5	89%	0.888	65%	0.649	S	S	*	*			trans	-68.8	110.3	163.5	-99.2	175.2	-12.8	0	0	106.5	K117 M121	K117-Q119 PolarHBondContact O-N 3.02Å; K117-Q119 VanDerWaalsContact O-N 3.16Å; Q119-M121 PolarHBondContact O-N 2.97Å; Q119-M121 VanDerWaalsContact O-N 3.08Å
120	D	39.3	Very low	56.5	Low	151 Å²	151	117.2 Å²	117.2	81%	0.807	67%	0.666	S	S	*	*			trans	-57.5	112	166.8	-50.1	-38.9	0	0	0	107.1	G118 E122	G118-D120 PolarHBondContact O-N 2.85Å; D120-E122 VanDerWaalsContact C-N 3.31Å; D120-E122 PolarHBondContact O-N 3.04Å
121	M	44.3	Very low	54.9	Low	175 Å²	175	119.7 Å²	119.7	86%	0.862	68%	0.68	S	S	*	*			trans	-76	81.1	-177	-163.6	-179.8	-161	0	0	108.7	Q119 T123	Q119-M121 PolarHBondContact O-N 2.97Å; Q119-M121 VanDerWaalsContact O-N 3.08Å; M121-T123 PolarHBondContact O-N 2.94Å; M121-T123 PolarHBondContact O-OG1 3.29Å
122	E	41.9	Very low	53.3	Low	191 Å²	191	118.8 Å²	118.8	89%	0.893	68%	0.684	S	S	*	*			trans	-72.6	116.9	166.8	-92.6	-179	142.6	0	0	109.6	D120	D120-E122 VanDerWaalsContact C-N 3.31Å; D120-E122 PolarHBondContact O-N 3.04Å
123	T	45.6	Very low	51.9	Low	122 Å²	122	121.3 Å²	121.3	75%	0.748	69%	0.694	S	S	*	*			trans	-96.8	100.6	-175.3	-53.1	0	0	0	0	108.8	M121	M121-T123 PolarHBondContact O-N 2.94Å; M121-T123 PolarHBondContact O-OG1 3.29Å
124	E	40.9	Very low	51	Low	203 Å²	203	125.4 Å²	125.4	95%	0.949	70%	0.703	S	S	*	*			trans	-148.8	132.5	159.3	-70	-165	131.4	0	0	106
125	G	38.5	Very low	50.8	Low	79 Å²	79	122.8 Å²	122.8	81%	0.814	69%	0.693	S	S	*	*			cis	131.5	71.7	22.2	0	0	0	0	0	109.3
126	G	43.9	Very low	51.3	Low	86 Å²	86	127.1 Å²	127.1	89%	0.887	71%	0.706	S	S	*	*			trans	70.4	114.4	156.1	0	0	0	0	0	120.3
127	G	36.9	Very low	52	Low	44 Å²	44	126.9 Å²	126.9	45%	0.454	70%	0.699	S	S	.	*			trans	-178.4	106.3	166.5	0	0	0	0	0	113.2
128	D	52.4	Low	53.2	Low	153 Å²	153	124.4 Å²	124.4	82%	0.818	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	136.9	-173.1	-79.4	-46.1	0	0	0	114.1	W130	D128-W130 PolarHBondContact O-N 3.37Å; D128-W130 VanDerWaalsContact O-N 3.14Å
129	T	53.1	Low	54.8	Low	112 Å²	112	128.1 Å²	128.1	69%	0.687	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.3	-31.7	163	64.2	0	0	0	0	120.5
130	W	49.3	Very low	56.6	Low	214 Å²	214	123.8 Å²	123.8	81%	0.811	67%	0.672	S	S	*	*	H	α-helix	trans	-83.5	-35.1	175.9	-75.2	86.6	0	0	0	113.1	D128 A132 H133 Q134	D128-W130 PolarHBondContact O-N 3.37Å; D128-W130 VanDerWaalsContact O-N 3.14Å; W130-A132 VanDerWaalsContact C-N 3.34Å; W130-A132 PolarHBondContact O-N 3.36Å; W130-H133 PolarHBondContact O-N 2.89Å; W130-Q134 PolarHBondContact O-N 3.3Å
131	D	55.5	Low	58.9	Low	86 Å²	86	121.5 Å²	121.5	46%	0.46	66%	0.658	S	S	.	*	H	α-helix	trans	-68.4	-32.9	177	-64.8	-46.9	0	0	0	112.2	H133 Q134 N135	D131-H133 VanDerWaalsContact C-N 3.28Å; D131-H133 PolarHBondContact O-N 3.48Å; D131-Q134 PolarHBondContact O-N 2.88Å; D131-N135 WeakPolarHBondContact O-CB 3.48Å; D131-N135 PolarHBondContact O-N 2.71Å; D131-N135 PolarHBondContact O-ND2 2.83Å; D131-N135 VanDerWaalsContact O-ND2 3.12Å
132	A	56.8	Low	60.9	Low	65 Å²	65	117.9 Å²	117.9	54%	0.537	64%	0.643	S	S	.	*	H	α-helix	trans	-64	-32.7	176.1	0	0	0	0	0	112.8	W130 K136	W130-A132 VanDerWaalsContact C-N 3.34Å; W130-A132 PolarHBondContact O-N 3.36Å; A132-K136 WeakPolarHBondContact O-CB 3.46Å; A132-K136 PolarHBondContact O-N 2.82Å; A132-K136 VanDerWaalsContact O-N 3.13Å
133	H	58.4	Low	63.1	Low	134 Å²	134	115.5 Å²	115.5	62%	0.62	63%	0.631	S	S	*	*	H	α-helix	trans	-82.8	-30.6	179.6	-145.1	-63.6	0	0	0	112.5	W130 D131 L137	W130-H133 PolarHBondContact O-N 2.89Å; D131-H133 VanDerWaalsContact C-N 3.28Å; D131-H133 PolarHBondContact O-N 3.48Å; H133-L137 PolarHBondContact O-N 2.96Å
134	Q	62	Low	65.2	Low	124 Å²	124	115.5 Å²	115.5	58%	0.579	63%	0.626	S	S	*	*	H	α-helix	trans	-68.9	-48.4	169.2	-74.5	-73.7	-68.4	0	0	110.9	W130 D131 K136 L137 E138	W130-Q134 PolarHBondContact O-N 3.3Å; D131-Q134 PolarHBondContact O-N 2.88Å; Q134-K136 VanDerWaalsContact C-N 3.31Å; Q134-K136 PolarHBondContact O-N 3.41Å; Q134-L137 WeakPolarHBondContact O-CA 3.27Å; Q134-L137 WeakPolarHBondContact O-CB 3.22Å; Q134-L137 PolarHBondContact O-N 3.24Å; Q134-E138 WeakPolarHBondContact O-CB 3.33Å; Q134-E138 PolarHBondContact O-N 3.01Å
135	N	70.4	Confident	67.5	Low	98 Å²	98	108 Å²	108	52%	0.524	60%	0.599	S	S	.	*	H	α-helix	trans	-57.9	-41.8	176.9	-74.1	-26.1	0	0	0	112.2	D131 L137 E138 E139	D131-N135 WeakPolarHBondContact O-CB 3.48Å; D131-N135 PolarHBondContact O-N 2.71Å; D131-N135 PolarHBondContact O-ND2 2.83Å; D131-N135 VanDerWaalsContact O-ND2 3.12Å; N135-L137 VanDerWaalsContact C-N 3.33Å; N135-L137 PolarHBondContact O-N 2.93Å; N135-E138 PolarHBondContact O-N 3.27Å; N135-E139 VanDerWaalsContact O-CB 3.32Å; N135-E139 WeakPolarHBondContact O-CB 3.22Å; N135-E139 PolarHBondContact O-N 3.48Å
136	K	75.8	Confident	69.9	Low	129 Å²	129	108.7 Å²	108.7	56%	0.561	59%	0.587	S	S	*	*	H	α-helix	trans	-66	-34.9	175.6	-172.1	176.2	-178.4	-178.2	0	112.7	A132 Q134 M140	A132-K136 WeakPolarHBondContact O-CB 3.46Å; A132-K136 PolarHBondContact O-N 2.82Å; A132-K136 VanDerWaalsContact O-N 3.13Å; Q134-K136 VanDerWaalsContact C-N 3.31Å; Q134-K136 PolarHBondContact O-N 3.41Å; K136-M140 WeakPolarHBondContact O-CG 3.35Å; K136-M140 PolarHBondContact O-N 3.35Å; K136-M140 VanDerWaalsContact O-N 3.15Å
137	L	78.3	Confident	72.1	Confident	80 Å²	80	107 Å²	107	42%	0.419	57%	0.565	S	S	.	*	H	α-helix	trans	-69.7	-41.8	176.1	-150.8	84	0	0	0	110.6	H133 Q134 N135 M140 I141	H133-L137 PolarHBondContact O-N 2.96Å; Q134-L137 WeakPolarHBondContact O-CA 3.27Å; Q134-L137 WeakPolarHBondContact O-CB 3.22Å; Q134-L137 PolarHBondContact O-N 3.24Å; N135-L137 VanDerWaalsContact C-N 3.33Å; N135-L137 PolarHBondContact O-N 2.93Å; L137-M140 HydrophobicContact CD1-CE 3.98Å; L137-M140 PolarHBondContact O-N 3.01Å; L137-I141 HydrophobicContact CD2-CD1 4.45Å; L137-I141 HydrophobicContact CG-CD1 4.41Å; L137-I141 WeakPolarHBondContact O-CB 3.4Å; L137-I141 WeakPolarHBondContact O-CD1 3.24Å; L137-I141 WeakPolarHBondContact O-CG1 3.38Å; L137-I141 PolarHBondContact O-N 3.41Å
138	E	79.6	Confident	74.6	Confident	114 Å²	114	111.7 Å²	111.7	53%	0.533	58%	0.577	S	S	.	*	H	α-helix	trans	-67.5	-37	178.9	-163.5	155.2	-163.2	0	0	111.9	Q134 N135 I141 N142	Q134-E138 WeakPolarHBondContact O-CB 3.33Å; Q134-E138 PolarHBondContact O-N 3.01Å; N135-E138 PolarHBondContact O-N 3.27Å; E138-I141 PolarHBondContact O-N 3.21Å; E138-N142 WeakPolarHBondContact O-CB 3.03Å; E138-N142 PolarHBondContact O-N 3.09Å
139	E	83.3	Confident	76.3	Confident	141 Å²	141	108.9 Å²	108.9	66%	0.659	57%	0.565	S	S	*	*	H	α-helix	trans	-64	-46.5	171.9	-171.7	170.5	-166.8	0	0	111.9	N135 I141 N142 E143	N135-E139 VanDerWaalsContact O-CB 3.32Å; N135-E139 WeakPolarHBondContact O-CB 3.22Å; N135-E139 PolarHBondContact O-N 3.48Å; E139-I141 VanDerWaalsContact C-N 3.33Å; E139-I141 PolarHBondContact O-N 3.46Å; E139-N142 PolarHBondContact O-N 3.42Å; E139-E143 WeakPolarHBondContact O-CB 3.43Å; E139-E143 PolarHBondContact O-N 3.38Å
140	M	82.1	Confident	77.9	Confident	98 Å²	98	106.4 Å²	106.4	48%	0.483	56%	0.556	S	S	.	*	H	α-helix	trans	-64.5	-35.8	175.4	-71.6	-170.6	-54.7	0	0	112.7	K136 L137 L144	K136-M140 WeakPolarHBondContact O-CG 3.35Å; K136-M140 PolarHBondContact O-N 3.35Å; K136-M140 VanDerWaalsContact O-N 3.15Å; L137-M140 HydrophobicContact CD1-CE 3.98Å; L137-M140 PolarHBondContact O-N 3.01Å; M140-L144 WeakPolarHBondContact O-CB 3.41Å; M140-L144 PolarHBondContact O-N 3.39Å
141	I	87.6	Confident	79.9	Confident	103 Å²	103	100.1 Å²	100.1	53%	0.528	54%	0.541	S	S	.	.	H	α-helix	trans	-66.7	-42.4	175.3	-73.1	166	0	0	0	110.3	L137 E138 E139 L144 A145	L137-I141 HydrophobicContact CD2-CD1 4.45Å; L137-I141 HydrophobicContact CG-CD1 4.41Å; L137-I141 WeakPolarHBondContact O-CB 3.4Å; L137-I141 WeakPolarHBondContact O-CD1 3.24Å; L137-I141 WeakPolarHBondContact O-CG1 3.38Å; L137-I141 PolarHBondContact O-N 3.41Å; E138-I141 PolarHBondContact O-N 3.21Å; E139-I141 VanDerWaalsContact C-N 3.33Å; E139-I141 PolarHBondContact O-N 3.46Å; I141-L144 PolarHBondContact O-N 2.9Å; I141-A145 VanDerWaalsContact O-CB 3.27Å; I141-A145 WeakPolarHBondContact O-CB 3.36Å; I141-A145 PolarHBondContact O-N 3.46Å
142	N	86.3	Confident	81.6	Confident	99 Å²	99	101.9 Å²	101.9	53%	0.529	55%	0.545	S	S	.	.	H	α-helix	trans	-65.3	-42.1	175.5	-91.7	-33.5	0	0	0	112	E138 E139 L144 A145 V146	E138-N142 WeakPolarHBondContact O-CB 3.03Å; E138-N142 PolarHBondContact O-N 3.09Å; E139-N142 PolarHBondContact O-N 3.42Å; N142-L144 VanDerWaalsContact C-N 3.35Å; N142-L144 PolarHBondContact O-N 2.93Å; N142-A145 PolarHBondContact O-N 2.97Å; N142-V146 WeakPolarHBondContact O-CB 3.36Å; N142-V146 VanDerWaalsContact O-CG2 3.24Å; N142-V146 WeakPolarHBondContact O-CG2 3.43Å; N142-V146 PolarHBondContact O-N 3.43Å
143	E	89.1	Confident	83.1	Confident	141 Å²	141	104.9 Å²	104.9	66%	0.659	55%	0.548	S	S	*	.	H	α-helix	trans	-60.6	-45.4	175.3	-169.4	-176.8	177.6	0	0	111.1	E139 V146 A147	E139-E143 WeakPolarHBondContact O-CB 3.43Å; E139-E143 PolarHBondContact O-N 3.38Å; E143-V146 PolarHBondContact O-N 2.99Å; E143-A147 WeakPolarHBondContact O-CB 3.35Å; E143-A147 PolarHBondContact O-N 2.96Å
144	L	88.6	Confident	84.4	Confident	123 Å²	123	103.1 Å²	103.1	64%	0.644	54%	0.539	S	S	*	.	H	α-helix	trans	-64.1	-41.1	175.9	-175.5	66.9	0	0	0	112	M140 I141 N142 V146 A147 M148	M140-L144 WeakPolarHBondContact O-CB 3.41Å; M140-L144 PolarHBondContact O-N 3.39Å; I141-L144 PolarHBondContact O-N 2.9Å; N142-L144 VanDerWaalsContact C-N 3.35Å; N142-L144 PolarHBondContact O-N 2.93Å; L144-V146 VanDerWaalsContact C-N 3.35Å; L144-A147 PolarHBondContact O-N 2.89Å; L144-M148 VanDerWaalsContact O-CB 3.24Å; L144-M148 WeakPolarHBondContact O-CB 3.47Å; L144-M148 PolarHBondContact O-N 3.32Å
145	A	89.8	Confident	85.6	Confident	44 Å²	44	102.9 Å²	102.9	36%	0.364	54%	0.538	S	S	.	.	H	α-helix	trans	-64.2	-40.8	177.7	0	0	0	0	0	111.4	I141 N142 T149	I141-A145 VanDerWaalsContact O-CB 3.27Å; I141-A145 WeakPolarHBondContact O-CB 3.36Å; I141-A145 PolarHBondContact O-N 3.46Å; N142-A145 PolarHBondContact O-N 2.97Å; A145-T149 WeakPolarHBondContact O-CB 3.32Å; A145-T149 PolarHBondContact O-N 2.91Å; A145-T149 PolarHBondContact O-OG1 3.39Å
146	V	88.6	Confident	86.4	Confident	95 Å²	95	102.8 Å²	102.8	58%	0.576	54%	0.535	S	S	*	.	H	α-helix	trans	-65.5	-46.1	175	171.1	0	0	0	0	110.6	N142 E143 L144 M148 T149 A150	N142-V146 WeakPolarHBondContact O-CB 3.36Å; N142-V146 VanDerWaalsContact O-CG2 3.24Å; N142-V146 WeakPolarHBondContact O-CG2 3.43Å; N142-V146 PolarHBondContact O-N 3.43Å; E143-V146 PolarHBondContact O-N 2.99Å; L144-V146 VanDerWaalsContact C-N 3.35Å; V146-M148 PolarHBondContact O-N 3.41Å; V146-T149 PolarHBondContact O-N 3.2Å; V146-A150 PolarHBondContact O-N 2.94Å
147	A	89.5	Confident	86.9	Confident	51 Å²	51	101.9 Å²	101.9	42%	0.421	53%	0.529	S	S	.	.	H	α-helix	trans	-62	-42.6	177.2	0	0	0	0	0	112	E143 L144 A150 V151	E143-A147 WeakPolarHBondContact O-CB 3.35Å; E143-A147 PolarHBondContact O-N 2.96Å; L144-A147 PolarHBondContact O-N 2.89Å; A147-A150 WeakPolarHBondContact O-CB 3.33Å; A147-A150 PolarHBondContact O-N 3.27Å; A147-V151 WeakPolarHBondContact O-CG2 3.49Å; A147-V151 PolarHBondContact O-N 3.24Å
148	M	89.1	Confident	87.1	Confident	141 Å²	141	103.5 Å²	103.5	70%	0.695	54%	0.535	S	S	*	.	H	α-helix	trans	-66	-38.8	177.4	-173.1	175.3	-177.8	0	0	111.8	L144 V146 A150 V151 K152	L144-M148 VanDerWaalsContact O-CB 3.24Å; L144-M148 WeakPolarHBondContact O-CB 3.47Å; L144-M148 PolarHBondContact O-N 3.32Å; V146-M148 PolarHBondContact O-N 3.41Å; M148-A150 VanDerWaalsContact C-N 3.34Å; M148-V151 PolarHBondContact O-N 3.3Å; M148-K152 WeakPolarHBondContact O-CB 3.45Å; M148-K152 PolarHBondContact O-N 2.93Å
149	T	88.2	Confident	87.7	Confident	94 Å²	94	103.4 Å²	103.4	58%	0.577	54%	0.535	S	S	*	.	H	α-helix	trans	-65.2	-40.2	175.2	-56.3	0	0	0	0	111	A145 V146 K152 H153	A145-T149 WeakPolarHBondContact O-CB 3.32Å; A145-T149 PolarHBondContact O-N 2.91Å; A145-T149 PolarHBondContact O-OG1 3.39Å; V146-T149 PolarHBondContact O-N 3.2Å; T149-K152 PolarHBondContact O-N 3.2Å; T149-H153 PolarHBondContact O-N 3.4Å
150	A	88	Confident	88	Confident	61 Å²	61	100 Å²	100	50%	0.504	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-44.8	174.5	0	0	0	0	0	112.1	V146 A147 M148 H153 E154	V146-A150 PolarHBondContact O-N 2.94Å; A147-A150 WeakPolarHBondContact O-CB 3.33Å; A147-A150 PolarHBondContact O-N 3.27Å; M148-A150 VanDerWaalsContact C-N 3.34Å; A150-H153 PolarHBondContact O-N 3.22Å; A150-E154 PolarHBondContact O-N 3.29Å; A150-E154 VanDerWaalsContact O-N 3.09Å
151	V	91.8	Very high	88.4	Confident	81 Å²	81	101.5 Å²	101.5	49%	0.491	52%	0.524	S	S	.	.	H	α-helix	trans	-63	-43.4	176	172.3	0	0	0	0	111.5	A147 M148 H153 E154 Q155	A147-V151 WeakPolarHBondContact O-CG2 3.49Å; A147-V151 PolarHBondContact O-N 3.24Å; M148-V151 PolarHBondContact O-N 3.3Å; V151-H153 VanDerWaalsContact C-N 3.3Å; V151-H153 PolarHBondContact O-N 3Å; V151-E154 PolarHBondContact O-N 2.93Å; V151-Q155 HydrophobicContact CG1-CG 4.43Å; V151-Q155 WeakPolarHBondContact O-CG 3.33Å; V151-Q155 PolarHBondContact O-N 2.91Å
152	K	89.8	Confident	88.4	Confident	123 Å²	123	102.5 Å²	102.5	54%	0.535	53%	0.526	S	S	.	.	H	α-helix	trans	-59.5	-43.7	177.6	-177.3	-179.1	175.1	-174.7	0	111.3	M148 T149 E154 Q155 E156	M148-K152 WeakPolarHBondContact O-CB 3.45Å; M148-K152 PolarHBondContact O-N 2.93Å; T149-K152 PolarHBondContact O-N 3.2Å; K152-E154 VanDerWaalsContact C-N 3.32Å; K152-E154 PolarHBondContact O-N 3.11Å; K152-Q155 PolarHBondContact O-N 3.42Å; K152-E156 WeakPolarHBondContact CE-OE1 3.28Å; K152-E156 PolarHBondContact O-N 3.46Å
153	H	88.7	Confident	88.4	Confident	129 Å²	129	105.7 Å²	105.7	60%	0.597	53%	0.531	S	S	*	.	H	α-helix	trans	-62.8	-40.3	177.9	-168.8	62.9	0	0	0	111.9	T149 A150 V151 E156 Y157	T149-H153 PolarHBondContact O-N 3.4Å; A150-H153 PolarHBondContact O-N 3.22Å; V151-H153 VanDerWaalsContact C-N 3.3Å; V151-H153 PolarHBondContact O-N 3Å; H153-E156 PolarHBondContact O-N 3.38Å; H153-Y157 PolarHBondContact O-N 3.45Å
154	E	86.3	Confident	88.3	Confident	96 Å²	96	103.3 Å²	103.3	45%	0.449	52%	0.522	S	S	.	.	H	α-helix	trans	-67.1	-36.9	176.5	-159.3	67.8	-167.9	0	0	112.2	A150 V151 K152 Y157 M158	A150-E154 PolarHBondContact O-N 3.29Å; A150-E154 VanDerWaalsContact O-N 3.09Å; V151-E154 PolarHBondContact O-N 2.93Å; K152-E154 VanDerWaalsContact C-N 3.32Å; K152-E154 PolarHBondContact O-N 3.11Å; E154-Y157 PolarHBondContact O-N 3.29Å; E154-M158 WeakPolarHBondContact O-CB 3.4Å; E154-M158 WeakPolarHBondContact O-CG 3.47Å; E154-M158 PolarHBondContact O-N 3.2Å
155	Q	86.9	Confident	88.1	Confident	120 Å²	120	102.4 Å²	102.4	56%	0.561	51%	0.514	S	S	*	.	H	α-helix	trans	-65.1	-45.9	174	-74.2	-179.4	-16.1	0	0	111.9	V151 K152 Y157 M158 E159	V151-Q155 HydrophobicContact CG1-CG 4.43Å; V151-Q155 WeakPolarHBondContact O-CG 3.33Å; V151-Q155 PolarHBondContact O-N 2.91Å; K152-Q155 PolarHBondContact O-N 3.42Å; Q155-Y157 VanDerWaalsContact C-N 3.28Å; Q155-Y157 PolarHBondContact O-N 3.03Å; Q155-M158 PolarHBondContact O-N 3.36Å; Q155-E159 WeakPolarHBondContact O-CG 3.41Å; Q155-E159 PolarHBondContact O-N 3.49Å
156	E	87.4	Confident	88	Confident	96 Å²	96	108 Å²	108	45%	0.449	53%	0.526	S	S	.	.	H	α-helix	trans	-59.4	-40.9	175.4	-79.8	178.6	-177.7	0	0	111.4	K152 H153 E159 V160	K152-E156 WeakPolarHBondContact CE-OE1 3.28Å; K152-E156 PolarHBondContact O-N 3.46Å; H153-E156 PolarHBondContact O-N 3.38Å; E156-E159 PolarHBondContact O-N 2.83Å; E156-V160 VanDerWaalsContact O-CG2 3.32Å; E156-V160 WeakPolarHBondContact O-CG2 3.43Å; E156-V160 PolarHBondContact O-N 3Å
157	Y	85.8	Confident	87.8	Confident	110 Å²	110	105.8 Å²	105.8	43%	0.431	52%	0.517	S	S	.	.	H	α-helix	trans	-61.7	-47.1	174.5	176.5	-102.1	0	0	0	112.3	H153 E154 Q155 E159 V160 R161	H153-Y157 PolarHBondContact O-N 3.45Å; E154-Y157 PolarHBondContact O-N 3.29Å; Q155-Y157 VanDerWaalsContact C-N 3.28Å; Q155-Y157 PolarHBondContact O-N 3.03Å; Y157-E159 VanDerWaalsContact C-N 3.34Å; Y157-E159 PolarHBondContact O-N 3.37Å; Y157-V160 PolarHBondContact O-N 3.3Å; Y157-R161 WeakPolarHBondContact O-CB 3.31Å; Y157-R161 PolarHBondContact O-N 3.45Å
158	M	83.4	Confident	87.5	Confident	114 Å²	114	107.8 Å²	107.8	56%	0.562	52%	0.52	S	S	*	.	H	α-helix	trans	-61.4	-40.5	177.4	-77	-90.4	-78.5	0	0	112.1	E154 Q155 R161 E162	E154-M158 WeakPolarHBondContact O-CB 3.4Å; E154-M158 WeakPolarHBondContact O-CG 3.47Å; E154-M158 PolarHBondContact O-N 3.2Å; Q155-M158 PolarHBondContact O-N 3.36Å; M158-R161 PolarHBondContact O-N 2.95Å; M158-E162 WeakPolarHBondContact O-CB 3.37Å; M158-E162 PolarHBondContact O-N 3.49Å
159	E	92.6	Very high	87.1	Confident	111 Å²	111	106 Å²	106	52%	0.519	51%	0.513	S	S	.	.	H	α-helix	trans	-66.3	-41.2	176.2	-76.4	-174.9	175.5	0	0	112.7	Q155 E156 Y157 E162 R163	Q155-E159 WeakPolarHBondContact O-CG 3.41Å; Q155-E159 PolarHBondContact O-N 3.49Å; E156-E159 PolarHBondContact O-N 2.83Å; Y157-E159 VanDerWaalsContact C-N 3.34Å; Y157-E159 PolarHBondContact O-N 3.37Å; E159-E162 PolarHBondContact O-N 2.74Å; E159-R163 WeakPolarHBondContact O-CB 3.47Å; E159-R163 WeakPolarHBondContact O-CG 3.31Å; E159-R163 PolarHBondContact O-N 3.44Å
160	V	88	Confident	87	Confident	70 Å²	70	105.7 Å²	105.7	42%	0.424	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-45.6	175.4	170.9	0	0	0	0	110	E156 Y157 E162 R163 I164	E156-V160 VanDerWaalsContact O-CG2 3.32Å; E156-V160 WeakPolarHBondContact O-CG2 3.43Å; E156-V160 PolarHBondContact O-N 3Å; Y157-V160 PolarHBondContact O-N 3.3Å; V160-E162 PolarHBondContact O-N 3.24Å; V160-R163 PolarHBondContact O-N 3.43Å; V160-I164 HydrophobicContact CG1-CD1 3.91Å; V160-I164 WeakPolarHBondContact O-CG1 3.36Å; V160-I164 PolarHBondContact O-N 2.97Å
161	R	91	Very high	86.4	Confident	130 Å²	130	107.4 Å²	107.4	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-58.4	-48.5	175.2	178.1	173.2	-177.3	-175.3	9	111.1	Y157 M158 R163 I164 H165	Y157-R161 WeakPolarHBondContact O-CB 3.31Å; Y157-R161 PolarHBondContact O-N 3.45Å; M158-R161 PolarHBondContact O-N 2.95Å; R161-R163 VanDerWaalsContact C-N 3.35Å; R161-R163 PolarHBondContact O-N 3.04Å; R161-I164 PolarHBondContact O-N 2.86Å; R161-H165 VanDerWaalsContact CG-CD2 3.43Å; R161-H165 WeakPolarHBondContact CG-CD2 3.47Å; R161-H165 PolarHBondContact O-CD2 2.9Å; R161-H165 PolarHBondContact O-N 3Å
162	E	87.8	Confident	85.9	Confident	123 Å²	123	107 Å²	107	58%	0.575	51%	0.507	S	S	*	.	H	α-helix	trans	-60.1	-44.1	177.9	-173.6	-176.7	167.4	0	0	111.5	M158 E159 V160 I164 H165 R166	M158-E162 WeakPolarHBondContact O-CB 3.37Å; M158-E162 PolarHBondContact O-N 3.49Å; E159-E162 PolarHBondContact O-N 2.74Å; V160-E162 PolarHBondContact O-N 3.24Å; E162-I164 VanDerWaalsContact C-N 3.3Å; E162-I164 PolarHBondContact O-N 2.82Å; E162-H165 PolarHBondContact O-N 3.23Å; E162-R166 VanDerWaalsContact O-CB 3.28Å; E162-R166 WeakPolarHBondContact O-CB 3.49Å; E162-R166 PolarHBondContact O-N 2.95Å
163	R	87.2	Confident	85.6	Confident	167 Å²	167	105.6 Å²	105.6	63%	0.63	51%	0.505	S	S	*	.	H	α-helix	trans	-58.2	-43	176	-82	-170	-80.7	-168	-6.6	111.9	E159 V160 R161 A167	E159-R163 WeakPolarHBondContact O-CB 3.47Å; E159-R163 WeakPolarHBondContact O-CG 3.31Å; E159-R163 PolarHBondContact O-N 3.44Å; V160-R163 PolarHBondContact O-N 3.43Å; R161-R163 VanDerWaalsContact C-N 3.35Å; R161-R163 PolarHBondContact O-N 3.04Å; R163-A167 VanDerWaalsContact O-CB 3.31Å; R163-A167 WeakPolarHBondContact O-CB 3.28Å; R163-A167 PolarHBondContact O-N 3.27Å
164	I	86.3	Confident	85.3	Confident	91 Å²	91	103.3 Å²	103.3	47%	0.467	50%	0.503	S	S	.	.	H	α-helix	trans	-65.8	-49.7	177.2	-66.9	166.2	0	0	0	110.6	V160 R161 E162 R166 A167 I168	V160-I164 HydrophobicContact CG1-CD1 3.91Å; V160-I164 WeakPolarHBondContact O-CG1 3.36Å; V160-I164 PolarHBondContact O-N 2.97Å; R161-I164 PolarHBondContact O-N 2.86Å; E162-I164 VanDerWaalsContact C-N 3.3Å; E162-I164 PolarHBondContact O-N 2.82Å; I164-R166 VanDerWaalsContact C-N 3.33Å; I164-R166 PolarHBondContact O-N 3.46Å; I164-A167 PolarHBondContact O-N 3.42Å; I164-I168 HydrophobicContact CG2-CD1 3.78Å; I164-I168 HydrophobicContact CG2-CG1 4.45Å; I164-I168 WeakPolarHBondContact O-CG1 3.3Å; I164-I168 PolarHBondContact O-N 3.01Å
165	H	83.8	Confident	85.1	Confident	104 Å²	104	107 Å²	107	48%	0.481	51%	0.513	S	S	.	.	H	α-helix	trans	-60.7	-41.7	179.2	-79.6	-64.5	0	0	0	112.3	R161 E162 I168 N169	R161-H165 VanDerWaalsContact CG-CD2 3.43Å; R161-H165 WeakPolarHBondContact CG-CD2 3.47Å; R161-H165 PolarHBondContact O-CD2 2.9Å; R161-H165 PolarHBondContact O-N 3Å; E162-H165 PolarHBondContact O-N 3.23Å; H165-I168 PolarHBondContact O-N 3.43Å; H165-N169 WeakPolarHBondContact O-CB 3.45Å; H165-N169 PolarHBondContact O-N 3.43Å
166	R	89	Confident	84.9	Confident	162 Å²	162	105.1 Å²	105.1	61%	0.611	51%	0.51	S	S	*	.	H	α-helix	trans	-63.2	-45.5	175.4	-177.7	178.2	-94.1	-148.6	-3.1	111.1	E162 I164 I168 N169 D170	E162-R166 VanDerWaalsContact O-CB 3.28Å; E162-R166 WeakPolarHBondContact O-CB 3.49Å; E162-R166 PolarHBondContact O-N 2.95Å; I164-R166 VanDerWaalsContact C-N 3.33Å; I164-R166 PolarHBondContact O-N 3.46Å; R166-I168 VanDerWaalsContact C-N 3.35Å; R166-I168 PolarHBondContact O-N 2.97Å; R166-N169 PolarHBondContact O-N 3.19Å; R166-D170 WeakPolarHBondContact O-CB 3.24Å; R166-D170 PolarHBondContact O-N 3.33Å
167	A	82.9	Confident	84.8	Confident	48 Å²	48	104.7 Å²	104.7	40%	0.397	51%	0.513	S	S	.	.	H	α-helix	trans	-62.7	-40	178.2	0	0	0	0	0	112.6	R163 I164 N171	R163-A167 VanDerWaalsContact O-CB 3.31Å; R163-A167 WeakPolarHBondContact O-CB 3.28Å; R163-A167 PolarHBondContact O-N 3.27Å; I164-A167 PolarHBondContact O-N 3.42Å; A167-N171 VanDerWaalsContact O-CB 3.28Å; A167-N171 WeakPolarHBondContact O-CB 3.32Å; A167-N171 VanDerWaalsContact O-CG 3.23Å; A167-N171 PolarHBondContact O-N 3.41Å; A167-N171 PolarHBondContact O-ND2 2.88Å
168	I	83.8	Confident	84.6	Confident	93 Å²	93	105.3 Å²	105.3	48%	0.477	52%	0.524	S	S	.	.	H	α-helix	trans	-64.3	-44.8	175.1	-67.4	167.6	0	0	0	110.3	I164 H165 R166 N171 T172	I164-I168 HydrophobicContact CG2-CD1 3.78Å; I164-I168 HydrophobicContact CG2-CG1 4.45Å; I164-I168 WeakPolarHBondContact O-CG1 3.3Å; I164-I168 PolarHBondContact O-N 3.01Å; H165-I168 PolarHBondContact O-N 3.43Å; R166-I168 VanDerWaalsContact C-N 3.35Å; R166-I168 PolarHBondContact O-N 2.97Å; I168-N171 PolarHBondContact O-N 2.81Å; I168-T172 VanDerWaalsContact O-CB 3.31Å; I168-T172 WeakPolarHBondContact O-CB 3.45Å; I168-T172 PolarHBondContact O-N 3.24Å; I168-T172 PolarHBondContact O-OG1 3.5Å
169	N	80.8	Confident	84.8	Confident	103 Å²	103	108.3 Å²	108.3	55%	0.551	53%	0.529	S	S	*	.	H	α-helix	trans	-63.4	-47.5	179.4	-171.5	33.2	0	0	0	111.7	H165 R166 N171 T172 N173	H165-N169 WeakPolarHBondContact O-CB 3.45Å; H165-N169 PolarHBondContact O-N 3.43Å; R166-N169 PolarHBondContact O-N 3.19Å; N169-N171 VanDerWaalsContact C-N 3.35Å; N169-N171 PolarHBondContact O-N 3.47Å; N169-T172 PolarHBondContact O-N 3.05Å; N169-N173 WeakPolarHBondContact O-CB 3.35Å; N169-N173 PolarHBondContact O-N 2.96Å
170	D	85.1	Confident	84.3	Confident	87 Å²	87	106 Å²	106	47%	0.465	53%	0.525	S	S	.	.	H	α-helix	trans	-62.1	-43.2	179.5	-73.1	-15.4	0	0	0	111.4	R166 S174	R166-D170 WeakPolarHBondContact O-CB 3.24Å; R166-D170 PolarHBondContact O-N 3.33Å; D170-S174 WeakPolarHBondContact O-CB 3.21Å; D170-S174 PolarHBondContact O-N 3.04Å
171	N	76.3	Confident	84.5	Confident	97 Å²	97	109.7 Å²	109.7	52%	0.519	54%	0.536	S	S	.	.	H	α-helix	trans	-65.9	-39.2	176.7	-76.1	-17.6	0	0	0	112.5	A167 I168 N169 R175	A167-N171 VanDerWaalsContact O-CB 3.28Å; A167-N171 WeakPolarHBondContact O-CB 3.32Å; A167-N171 VanDerWaalsContact O-CG 3.23Å; A167-N171 PolarHBondContact O-N 3.41Å; A167-N171 PolarHBondContact O-ND2 2.88Å; I168-N171 PolarHBondContact O-N 2.81Å; N169-N171 VanDerWaalsContact C-N 3.35Å; N169-N171 PolarHBondContact O-N 3.47Å; N171-R175 VanDerWaalsContact O-CG 3.24Å; N171-R175 WeakPolarHBondContact O-CG 3.49Å; N171-R175 PolarHBondContact O-N 3.16Å
172	T	81.4	Confident	84.4	Confident	74 Å²	74	109.1 Å²	109.1	45%	0.454	54%	0.537	S	S	.	.	H	α-helix	trans	-67.5	-48.5	177.2	-58.3	0	0	0	0	110.4	I168 N169 S174 R175 V176	I168-T172 VanDerWaalsContact O-CB 3.31Å; I168-T172 WeakPolarHBondContact O-CB 3.45Å; I168-T172 PolarHBondContact O-N 3.24Å; I168-T172 PolarHBondContact O-OG1 3.5Å; N169-T172 PolarHBondContact O-N 3.05Å; T172-S174 PolarHBondContact O-N 3.49Å; T172-R175 PolarHBondContact O-N 3.29Å; T172-V176 HydrophobicContact CG2-CG2 4.33Å; T172-V176 VanDerWaalsContact O-CG2 3.3Å; T172-V176 WeakPolarHBondContact O-CG2 3.47Å; T172-V176 PolarHBondContact O-N 2.89Å
173	N	84.3	Confident	84.4	Confident	93 Å²	93	109.1 Å²	109.1	50%	0.497	54%	0.537	S	S	.	.	H	α-helix	trans	-58.1	-47.5	179.1	-175.8	36.7	0	0	0	111.5	N169 R175 V176 V177	N169-N173 WeakPolarHBondContact O-CB 3.35Å; N169-N173 PolarHBondContact O-N 2.96Å; N173-R175 PolarHBondContact O-N 3.17Å; N173-V176 PolarHBondContact O-N 3.4Å; N173-V177 WeakPolarHBondContact O-CB 3.48Å; N173-V177 VanDerWaalsContact O-CG2 3.25Å; N173-V177 WeakPolarHBondContact O-CG2 3.35Å; N173-V177 PolarHBondContact O-N 2.93Å
174	S	80.5	Confident	84.7	Confident	80 Å²	80	103.6 Å²	103.6	56%	0.559	53%	0.527	S	S	*	.	H	α-helix	trans	-60.6	-43.3	178.6	-178	0	0	0	0	112.7	D170 T172 L178	D170-S174 WeakPolarHBondContact O-CB 3.21Å; D170-S174 PolarHBondContact O-N 3.04Å; T172-S174 PolarHBondContact O-N 3.49Å; S174-L178 WeakPolarHBondContact O-CB 3.45Å; S174-L178 PolarHBondContact O-N 3.24Å
175	R	82.4	Confident	85.1	Confident	175 Å²	175	104 Å²	104	66%	0.66	53%	0.53	S	S	*	.	H	α-helix	trans	-64.7	-45.9	177.5	-71	172.5	-170.2	-138.5	3.5	111.8	N171 T172 N173 L178 W179	N171-R175 VanDerWaalsContact O-CG 3.24Å; N171-R175 WeakPolarHBondContact O-CG 3.49Å; N171-R175 PolarHBondContact O-N 3.16Å; T172-R175 PolarHBondContact O-N 3.29Å; N173-R175 PolarHBondContact O-N 3.17Å; R175-L178 PolarHBondContact O-N 3.05Å; R175-W179 PolarHBondContact O-N 3.36Å
176	V	84.2	Confident	85.5	Confident	80 Å²	80	102.1 Å²	102.1	49%	0.485	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-47.6	179.2	171.8	0	0	0	0	110.5	T172 N173 L178 W179 S180	T172-V176 HydrophobicContact CG2-CG2 4.33Å; T172-V176 VanDerWaalsContact O-CG2 3.3Å; T172-V176 WeakPolarHBondContact O-CG2 3.47Å; T172-V176 PolarHBondContact O-N 2.89Å; N173-V176 PolarHBondContact O-N 3.4Å; V176-L178 VanDerWaalsContact C-N 3.33Å; V176-L178 PolarHBondContact O-N 3.31Å; V176-W179 PolarHBondContact O-N 3.07Å; V176-S180 PolarHBondContact O-N 3.03Å; V176-S180 PolarHBondContact O-OG 3.48Å; V176-S180 VanDerWaalsContact O-OG 3.07Å
177	V	84.3	Confident	85.7	Confident	86 Å²	86	99.4 Å²	99.4	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-60.1	-42.1	179	170.7	0	0	0	0	111.8	N173 S180 F181	N173-V177 WeakPolarHBondContact O-CB 3.48Å; N173-V177 VanDerWaalsContact O-CG2 3.25Å; N173-V177 WeakPolarHBondContact O-CG2 3.35Å; N173-V177 PolarHBondContact O-N 2.93Å; V177-S180 PolarHBondContact O-N 3.21Å; V177-F181 PolarHBondContact O-N 3.46Å
178	L	82.9	Confident	86.3	Confident	124 Å²	124	101.1 Å²	101.1	65%	0.649	53%	0.528	S	S	*	.	H	α-helix	trans	-63.6	-45	177.6	-173.5	69.3	0	0	0	111.9	S174 R175 V176 F181 F182	S174-L178 WeakPolarHBondContact O-CB 3.45Å; S174-L178 PolarHBondContact O-N 3.24Å; R175-L178 PolarHBondContact O-N 3.05Å; V176-L178 VanDerWaalsContact C-N 3.33Å; V176-L178 PolarHBondContact O-N 3.31Å; L178-F181 PolarHBondContact O-N 3.07Å; L178-F182 PolarHBondContact O-N 3.38Å
179	W	85.9	Confident	86.7	Confident	176 Å²	176	99.3 Å²	99.3	67%	0.667	53%	0.526	S	S	*	.	H	α-helix	trans	-63.6	-40.7	176.5	-82.4	111.6	0	0	0	112.2	R175 V176 F181 F182 E183	R175-W179 PolarHBondContact O-N 3.36Å; V176-W179 PolarHBondContact O-N 3.07Å; W179-F181 PolarHBondContact O-N 2.95Å; W179-F182 HydrophobicContact CE3-CD1 4.15Å; W179-F182 HydrophobicContact CZ3-CD1 4.11Å; W179-F182 HydrophobicContact CZ3-CE1 4.36Å; W179-F182 PolarHBondContact O-N 3.48Å; W179-E183 WeakPolarHBondContact O-CB 3.25Å; W179-E183 PolarHBondContact O-N 3.12Å
180	S	82.8	Confident	87.3	Confident	63 Å²	63	100 Å²	100	44%	0.441	53%	0.528	S	S	.	.	H	α-helix	trans	-63.7	-38.7	175.8	-60.8	0	0	0	0	112.7	V176 V177 A184	V176-S180 PolarHBondContact O-N 3.03Å; V176-S180 PolarHBondContact O-OG 3.48Å; V176-S180 VanDerWaalsContact O-OG 3.07Å; V177-S180 PolarHBondContact O-N 3.21Å; S180-A184 WeakPolarHBondContact O-CB 3.5Å; S180-A184 PolarHBondContact O-N 3.08Å
181	F	92.2	Very high	87.8	Confident	148 Å²	148	99 Å²	99	65%	0.649	53%	0.525	S	S	*	.	H	α-helix	trans	-66.9	-41.8	175.5	-173.4	-96.4	0	0	0	111.8	V177 L178 W179 A184 L185	V177-F181 PolarHBondContact O-N 3.46Å; L178-F181 PolarHBondContact O-N 3.07Å; W179-F181 PolarHBondContact O-N 2.95Å; F181-A184 PolarHBondContact O-N 3.01Å; F181-L185 HydrophobicContact CE1-CD1 4.42Å; F181-L185 PolarHBondContact O-N 3.04Å; F181-L185 VanDerWaalsContact O-N 3.08Å
182	F	89.1	Confident	88.7	Confident	117 Å²	117	99.7 Å²	99.7	51%	0.513	53%	0.528	S	S	.	.	H	α-helix	trans	-61.1	-47.2	175.9	176.3	-101.4	0	0	0	111.9	L178 W179 A184 L185 V186	L178-F182 PolarHBondContact O-N 3.38Å; W179-F182 HydrophobicContact CE3-CD1 4.15Å; W179-F182 HydrophobicContact CZ3-CD1 4.11Å; W179-F182 HydrophobicContact CZ3-CE1 4.36Å; W179-F182 PolarHBondContact O-N 3.48Å; F182-A184 PolarHBondContact O-N 3.35Å; F182-L185 WeakPolarHBondContact O-CB 3.41Å; F182-L185 PolarHBondContact O-N 3.43Å; F182-V186 HydrophobicContact CD1-CG2 4.36Å; F182-V186 HydrophobicContact CE1-CG2 3.93Å; F182-V186 HydrophobicContact CE2-CG2 4.25Å; F182-V186 HydrophobicContact CZ-CG2 3.87Å; F182-V186 WeakPolarHBondContact O-CG2 3.45Å; F182-V186 PolarHBondContact O-N 3.07Å
183	E	88.1	Confident	89.2	Confident	124 Å²	124	98 Å²	98	58%	0.579	53%	0.525	S	S	*	.	H	α-helix	trans	-59.4	-45.4	177.4	-174.8	-179.7	175.5	0	0	111.9	W179 L185 V186 L187	W179-E183 WeakPolarHBondContact O-CB 3.25Å; W179-E183 PolarHBondContact O-N 3.12Å; E183-L185 VanDerWaalsContact C-N 3.3Å; E183-L185 PolarHBondContact O-N 3.18Å; E183-V186 PolarHBondContact O-N 3.37Å; E183-L187 PolarHBondContact O-N 3.01Å
184	A	92.6	Very high	89.6	Confident	51 Å²	51	99 Å²	99	42%	0.421	53%	0.526	S	S	.	.	H	α-helix	trans	-58.8	-42.1	176.6	0	0	0	0	0	112	S180 F181 F182 L187 V188	S180-A184 WeakPolarHBondContact O-CB 3.5Å; S180-A184 PolarHBondContact O-N 3.08Å; F181-A184 PolarHBondContact O-N 3.01Å; F182-A184 PolarHBondContact O-N 3.35Å; A184-L187 PolarHBondContact O-N 3.4Å; A184-V188 WeakPolarHBondContact O-CG2 3.48Å; A184-V188 PolarHBondContact O-N 3.26Å
185	L	94.1	Very high	90.2	Very high	100 Å²	100	99.3 Å²	99.3	52%	0.524	52%	0.521	S	S	.	.	H	α-helix	trans	-63.3	-42.5	176.9	-166.7	157.6	0	0	0	111.4	F181 F182 E183 L187 V188 A189	F181-L185 HydrophobicContact CE1-CD1 4.42Å; F181-L185 PolarHBondContact O-N 3.04Å; F181-L185 VanDerWaalsContact O-N 3.08Å; F182-L185 WeakPolarHBondContact O-CB 3.41Å; F182-L185 PolarHBondContact O-N 3.43Å; E183-L185 VanDerWaalsContact C-N 3.3Å; E183-L185 PolarHBondContact O-N 3.18Å; L185-L187 PolarHBondContact O-N 3Å; L185-V188 PolarHBondContact O-N 3.38Å; L185-A189 WeakPolarHBondContact O-CB 3.3Å; L185-A189 PolarHBondContact O-N 2.91Å
186	V	92.6	Very high	90.7	Very high	64 Å²	64	97.7 Å²	97.7	39%	0.388	52%	0.516	S	S	.	.	H	α-helix	trans	-61.7	-42.6	177.1	172.3	0	0	0	0	111.5	F182 E183 A189 M190	F182-V186 HydrophobicContact CD1-CG2 4.36Å; F182-V186 HydrophobicContact CE1-CG2 3.93Å; F182-V186 HydrophobicContact CE2-CG2 4.25Å; F182-V186 HydrophobicContact CZ-CG2 3.87Å; F182-V186 WeakPolarHBondContact O-CG2 3.45Å; F182-V186 PolarHBondContact O-N 3.07Å; E183-V186 PolarHBondContact O-N 3.37Å; V186-A189 PolarHBondContact O-N 3.45Å; V186-M190 WeakPolarHBondContact O-CB 3.5Å; V186-M190 WeakPolarHBondContact O-CG 3.36Å; V186-M190 PolarHBondContact O-N 3.29Å
187	L	93.6	Very high	91	Very high	105 Å²	105	101.4 Å²	101.4	55%	0.55	52%	0.523	S	S	.	.	H	α-helix	trans	-63.3	-42.2	176.2	-69.8	175.8	0	0	0	112.1	E183 A184 L185 M190 T191	E183-L187 PolarHBondContact O-N 3.01Å; A184-L187 PolarHBondContact O-N 3.4Å; L185-L187 PolarHBondContact O-N 3Å; L187-M190 PolarHBondContact O-N 3.06Å; L187-T191 WeakPolarHBondContact O-CG2 3.39Å; L187-T191 PolarHBondContact O-N 3.34Å; L187-T191 PolarHBondContact O-OG1 2.86Å
188	V	95.6	Very high	91.2	Very high	84 Å²	84	101.9 Å²	101.9	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-44.4	175	173.3	0	0	0	0	110.8	A184 L185 M190 T191 L192	A184-V188 WeakPolarHBondContact O-CG2 3.48Å; A184-V188 PolarHBondContact O-N 3.26Å; L185-V188 PolarHBondContact O-N 3.38Å; V188-M190 PolarHBondContact O-N 3.17Å; V188-T191 PolarHBondContact O-N 2.88Å; V188-T191 PolarHBondContact O-OG1 3.48Å; V188-L192 HydrophobicContact CG1-CD1 4.07Å; V188-L192 HydrophobicContact CG1-CG 4.48Å; V188-L192 WeakPolarHBondContact O-CG 3.39Å; V188-L192 PolarHBondContact O-N 2.88Å
189	A	92.9	Very high	91.4	Very high	54 Å²	54	102.9 Å²	102.9	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-42.2	177.4	0	0	0	0	0	112.2	L185 V186 L192 G193	L185-A189 WeakPolarHBondContact O-CB 3.3Å; L185-A189 PolarHBondContact O-N 2.91Å; V186-A189 PolarHBondContact O-N 3.45Å; A189-L192 PolarHBondContact O-N 3.31Å; A189-G193 PolarHBondContact O-N 2.9Å
190	M	93.6	Very high	91.3	Very high	118 Å²	118	101.4 Å²	101.4	58%	0.581	52%	0.515	S	S	*	.	H	α-helix	trans	-61.9	-46.5	176.8	-80.8	-78.1	-82.3	0	0	112.2	V186 L187 V188 G193 Q194	V186-M190 WeakPolarHBondContact O-CB 3.5Å; V186-M190 WeakPolarHBondContact O-CG 3.36Å; V186-M190 PolarHBondContact O-N 3.29Å; L187-M190 PolarHBondContact O-N 3.06Å; V188-M190 PolarHBondContact O-N 3.17Å; M190-G193 PolarHBondContact O-N 3.48Å; M190-Q194 WeakPolarHBondContact O-CB 3.45Å; M190-Q194 VanDerWaalsContact O-CG 3.3Å; M190-Q194 WeakPolarHBondContact O-CG 3.4Å; M190-Q194 PolarHBondContact O-N 3.36Å
191	T	95	Very high	91.3	Very high	67 Å²	67	103.5 Å²	103.5	41%	0.411	52%	0.516	S	S	.	.	H	α-helix	trans	-65.2	-41.4	179.3	54.3	0	0	0	0	111.9	L187 V188 Q194 I195	L187-T191 WeakPolarHBondContact O-CG2 3.39Å; L187-T191 PolarHBondContact O-N 3.34Å; L187-T191 PolarHBondContact O-OG1 2.86Å; V188-T191 PolarHBondContact O-N 2.88Å; V188-T191 PolarHBondContact O-OG1 3.48Å; T191-Q194 PolarHBondContact O-N 3.37Å; T191-I195 VanDerWaalsContact O-CG1 3.31Å; T191-I195 WeakPolarHBondContact O-CG1 3.38Å; T191-I195 PolarHBondContact O-N 3.04Å
192	L	94	Very high	90.6	Very high	110 Å²	110	103.7 Å²	103.7	58%	0.576	52%	0.517	S	S	*	.	H	α-helix	trans	-62.7	-42.5	173	-70	176.1	0	0	0	111.9	V188 A189 I195 Y196	V188-L192 HydrophobicContact CG1-CD1 4.07Å; V188-L192 HydrophobicContact CG1-CG 4.48Å; V188-L192 WeakPolarHBondContact O-CG 3.39Å; V188-L192 PolarHBondContact O-N 2.88Å; A189-L192 PolarHBondContact O-N 3.31Å; L192-I195 PolarHBondContact O-N 2.89Å; L192-Y196 WeakPolarHBondContact O-CB 3.31Å; L192-Y196 PolarHBondContact O-N 2.99Å
193	G	93.3	Very high	89.9	Confident	38 Å²	38	105.8 Å²	105.8	39%	0.392	53%	0.528	S	S	.	.	H	α-helix	trans	-60.6	-44.5	175.2	0	0	0	0	0	112.6	A189 M190 Y196 Y197	A189-G193 PolarHBondContact O-N 2.9Å; M190-G193 PolarHBondContact O-N 3.48Å; G193-Y196 PolarHBondContact O-N 3.33Å; G193-Y197 WeakPolarHBondContact O-CB 3.34Å; G193-Y197 PolarHBondContact O-N 3.01Å
194	Q	91.3	Very high	88.6	Confident	114 Å²	114	105 Å²	105	53%	0.533	53%	0.532	S	S	.	.	H	α-helix	trans	-60.1	-45.3	175.2	-74.9	173.7	-19.3	0	0	111.7	M190 T191 Y197 L198	M190-Q194 WeakPolarHBondContact O-CB 3.45Å; M190-Q194 VanDerWaalsContact O-CG 3.3Å; M190-Q194 WeakPolarHBondContact O-CG 3.4Å; M190-Q194 PolarHBondContact O-N 3.36Å; T191-Q194 PolarHBondContact O-N 3.37Å; Q194-Y197 PolarHBondContact O-N 3.48Å; Q194-L198 WeakPolarHBondContact O-CG 3.34Å; Q194-L198 PolarHBondContact O-N 2.91Å
195	I	93.9	Very high	86.9	Confident	87 Å²	87	112.3 Å²	112.3	45%	0.446	55%	0.549	S	S	.	.	H	α-helix	trans	-63.8	-44.7	177.5	-68.2	162.8	0	0	0	111	T191 L192 L198 K199	T191-I195 VanDerWaalsContact O-CG1 3.31Å; T191-I195 WeakPolarHBondContact O-CG1 3.38Å; T191-I195 PolarHBondContact O-N 3.04Å; L192-I195 PolarHBondContact O-N 2.89Å; I195-L198 PolarHBondContact O-N 3.3Å; I195-K199 HydrophobicContact CG2-CD 4.26Å; I195-K199 WeakPolarHBondContact O-CB 3.28Å; I195-K199 WeakPolarHBondContact O-CG 3.37Å; I195-K199 PolarHBondContact O-N 2.87Å
196	Y	92.9	Very high	85.5	Confident	142 Å²	142	118.7 Å²	118.7	56%	0.557	57%	0.566	S	S	*	*	H	α-helix	trans	-61	-45.3	177.2	174.9	-95.5	0	0	0	111.6	L192 G193 K199 R200	L192-Y196 WeakPolarHBondContact O-CB 3.31Å; L192-Y196 PolarHBondContact O-N 2.99Å; G193-Y196 PolarHBondContact O-N 3.33Å; Y196-K199 PolarHBondContact O-N 3.19Å; Y196-R200 WeakPolarHBondContact O-CB 3.45Å; Y196-R200 PolarHBondContact O-N 3.26Å; Y196-R200 PolarHBondContact OH-NH1 3.4Å
197	Y	90.6	Very high	83.7	Confident	158 Å²	158	122.2 Å²	122.2	62%	0.62	59%	0.587	S	S	*	*	H	α-helix	trans	-59.6	-48.5	177.7	-179.4	-93.1	0	0	0	111.7	G193 Q194 R200 F201	G193-Y197 WeakPolarHBondContact O-CB 3.34Å; G193-Y197 PolarHBondContact O-N 3.01Å; Q194-Y197 PolarHBondContact O-N 3.48Å; Y197-R200 PolarHBondContact O-N 3.4Å; Y197-F201 WeakPolarHBondContact O-CB 3.43Å; Y197-F201 PolarHBondContact O-N 3.37Å
198	L	89.1	Confident	81.6	Confident	96 Å²	96	126.8 Å²	126.8	50%	0.503	62%	0.619	S	S	.	*	H	α-helix	trans	-61.7	-45.8	177.8	-72.1	174.4	0	0	0	111.7	Q194 I195 R200 F201 F202	Q194-L198 WeakPolarHBondContact O-CG 3.34Å; Q194-L198 PolarHBondContact O-N 2.91Å; I195-L198 PolarHBondContact O-N 3.3Å; L198-R200 PolarHBondContact O-N 3.49Å; L198-F201 PolarHBondContact O-N 3.14Å; L198-F202 WeakPolarHBondContact O-CD2 3.48Å; L198-F202 PolarHBondContact O-N 2.96Å; L198-F202 VanDerWaalsContact O-N 3.14Å
199	K	86.1	Confident	80.9	Confident	145 Å²	145	128.9 Å²	128.9	63%	0.63	62%	0.624	S	S	*	*	H	α-helix	trans	-59	-47.1	176.8	-77.3	-175.6	177.2	-178	0	111.8	I195 Y196 F201 F202 E203	I195-K199 HydrophobicContact CG2-CD 4.26Å; I195-K199 WeakPolarHBondContact O-CB 3.28Å; I195-K199 WeakPolarHBondContact O-CG 3.37Å; I195-K199 PolarHBondContact O-N 2.87Å; Y196-K199 PolarHBondContact O-N 3.19Å; K199-F201 PolarHBondContact O-N 3.32Å; K199-F202 PolarHBondContact O-N 3.44Å; K199-E203 WeakPolarHBondContact O-CB 3.4Å; K199-E203 PolarHBondContact O-N 3.25Å
200	R	84.1	Confident	80.3	Confident	145 Å²	145	132.8 Å²	132.8	55%	0.547	63%	0.634	S	S	.	*	H	α-helix	trans	-65.2	-37.4	178.6	-174	171.9	178.5	173	-4.7	112.5	Y196 Y197 L198 F202 E203 V204	Y196-R200 WeakPolarHBondContact O-CB 3.45Å; Y196-R200 PolarHBondContact O-N 3.26Å; Y196-R200 PolarHBondContact OH-NH1 3.4Å; Y197-R200 PolarHBondContact O-N 3.4Å; L198-R200 PolarHBondContact O-N 3.49Å; R200-F202 VanDerWaalsContact C-N 3.34Å; R200-F202 PolarHBondContact O-N 3.37Å; R200-E203 PolarHBondContact O-N 2.92Å; R200-V204 HydrophobicContact CG-CG2 4.47Å; R200-V204 VanDerWaalsContact O-CG2 3.28Å; R200-V204 WeakPolarHBondContact O-CG2 3.11Å; R200-V204 PolarHBondContact O-N 3.46Å
201	F	83.6	Confident	79.6	Confident	106 Å²	106	133.7 Å²	133.7	47%	0.465	64%	0.637	S	S	.	*	H	α-helix	trans	-61.7	-41.2	176.3	-179.6	-95.9	0	0	0	112.1	Y197 L198 K199	Y197-F201 WeakPolarHBondContact O-CB 3.43Å; Y197-F201 PolarHBondContact O-N 3.37Å; L198-F201 PolarHBondContact O-N 3.14Å; K199-F201 PolarHBondContact O-N 3.32Å
202	F	77.3	Confident	78.6	Confident	153 Å²	153	137.6 Å²	137.6	67%	0.671	65%	0.65	S	S	*	*	H	α-helix	trans	-78.5	-27.6	177.5	-71.6	-65.8	0	0	0	113.8	L198 K199 R200 V204	L198-F202 WeakPolarHBondContact O-CD2 3.48Å; L198-F202 PolarHBondContact O-N 2.96Å; L198-F202 VanDerWaalsContact O-N 3.14Å; K199-F202 PolarHBondContact O-N 3.44Å; R200-F202 VanDerWaalsContact C-N 3.34Å; R200-F202 PolarHBondContact O-N 3.37Å; F202-V204 VanDerWaalsContact C-N 3.35Å
203	E	72.8	Confident	77.7	Confident	160 Å²	160	139.3 Å²	139.3	75%	0.748	65%	0.654	S	S	*	*	H	α-helix	trans	-69.6	-30.7	176.8	-169.3	169.7	-177.4	0	0	112.6	K199 R200 R205	K199-E203 WeakPolarHBondContact O-CB 3.4Å; K199-E203 PolarHBondContact O-N 3.25Å; R200-E203 PolarHBondContact O-N 2.92Å; E203-R205 VanDerWaalsContact C-N 3.26Å; E203-R205 PolarHBondContact O-N 2.97Å
204	V	61	Low	76.6	Confident	107 Å²	107	146.1 Å²	146.1	65%	0.648	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	8.8	-176.4	177.5	0	0	0	0	113.7	R200 F202	R200-V204 HydrophobicContact CG-CG2 4.47Å; R200-V204 VanDerWaalsContact O-CG2 3.28Å; R200-V204 WeakPolarHBondContact O-CG2 3.11Å; R200-V204 PolarHBondContact O-N 3.46Å; F202-V204 VanDerWaalsContact C-N 3.35Å
205	R	58.5	Low	75.6	Confident	206 Å²	206	148.4 Å²	148.4	78%	0.777	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	42.1	178.3	-77.4	-165.2	176.4	-141.5	1.7	115.8	E203	E203-R205 VanDerWaalsContact C-N 3.26Å; E203-R205 PolarHBondContact O-N 2.97Å
206	R	62.7	Low	74.2	Confident	233 Å²	233	153.1 Å²	153.1	88%	0.879	70%	0.7	S	S	*	*			trans	-112.3	77.3	150.4	-79.9	-159.5	-87.8	174.5	-7	110.7
207	V	55.6	Low	72.6	Confident	139 Å²	139	154 Å²	154	84%	0.842	71%	0.712	S	S	*	*			trans	-104.8	96.8	149.6	-175.9	0	0	0	0	105
208	V	50.2	Low	71	Confident	200 Å²	200	153.6 Å²	153.6	100%	1.212	72%	0.72	S	S	*	*			trans	-93	0	155	-180	0	0	0	0	105.8

Retrieved 208 of 208 residues in 172 ms (Link to these results)

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