A0A3P9PRX9_POERE Loading...

Transmembrane p24 trafficking protein 2

AlphaFold DB , UniProt , Accession A0A3P9PRX9, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 207 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	49.5	Very low	64.3	Low	235 Å²	235	118.9 Å²	118.9	100%	1.158	64%	0.639	S	S	*	*				0	94.5	0	-79.1	173.8	175.5	0	0	106.5
2	F	48.2	Very low	64.2	Low	183 Å²	183	114.8 Å²	114.8	80%	0.803	63%	0.634	S	S	*	*			trans	-75.9	126.8	175.1	-67.8	-79.7	0	0	0	107.8	E6	F2-E6 VanDerWaalsContact CA-OE2 3.28Å; F2-E6 WeakPolarHBondContact CA-OE2 3.32Å; F2-E6 WeakPolarHBondContact CD1-OE2 3.27Å
3	T	69.1	Low	64.2	Low	82 Å²	82	113.7 Å²	113.7	50%	0.503	63%	0.632	S	S	.	*			trans	-74.6	148.8	-175.1	58.2	0	0	0	0	109.5	S5 E6 L7	T3-S5 PolarHBondContact O-N 3.16Å; T3-E6 PolarHBondContact N-OE2 3.31Å; T3-E6 WeakPolarHBondContact O-CB 3.39Å; T3-E6 PolarHBondContact O-N 3.28Å; T3-L7 PolarHBondContact O-N 2.98Å
4	V	67.3	Low	63.9	Low	120 Å²	120	114.6 Å²	114.6	73%	0.727	63%	0.634	S	S	*	*	H	α-helix	trans	-52.3	-28.9	177.9	177.9	0	0	0	0	111.6	L7 V8	V4-L7 PolarHBondContact O-N 2.81Å; V4-V8 HydrophobicContact CG1-CG2 4.43Å; V4-V8 VanDerWaalsContact O-CG2 3.29Å; V4-V8 WeakPolarHBondContact O-CG2 3.39Å; V4-V8 PolarHBondContact O-N 2.99Å; V4-V8 VanDerWaalsContact O-N 3.09Å
5	S	62.6	Low	63.3	Low	81 Å²	81	114.8 Å²	114.8	57%	0.566	65%	0.645	S	S	*	*	H	α-helix	trans	-57.7	-44.1	170.9	-175.9	0	0	0	0	113.5	T3 L7 V8 V9	T3-S5 PolarHBondContact O-N 3.16Å; S5-L7 VanDerWaalsContact C-N 3.34Å; S5-V8 PolarHBondContact O-N 3.42Å; S5-V9 VanDerWaalsContact O-CG2 3.3Å; S5-V9 WeakPolarHBondContact O-CG2 3.29Å; S5-V9 PolarHBondContact O-N 2.97Å; S5-V9 VanDerWaalsContact O-N 3.11Å
6	E	64.1	Low	62.8	Low	98 Å²	98	112.6 Å²	112.6	46%	0.458	65%	0.645	S	S	.	*	H	α-helix	trans	-69.3	-34.2	-179.6	-71	174.8	131.7	0	0	111.8	F2 T3 V9 L10	F2-E6 VanDerWaalsContact CA-OE2 3.28Å; F2-E6 WeakPolarHBondContact CA-OE2 3.32Å; F2-E6 WeakPolarHBondContact CD1-OE2 3.27Å; T3-E6 PolarHBondContact N-OE2 3.31Å; T3-E6 WeakPolarHBondContact O-CB 3.39Å; T3-E6 PolarHBondContact O-N 3.28Å; E6-V9 PolarHBondContact O-N 3.27Å; E6-L10 WeakPolarHBondContact O-CB 3.47Å; E6-L10 PolarHBondContact O-N 2.88Å
7	L	68.3	Low	62	Low	106 Å²	106	113.5 Å²	113.5	56%	0.555	65%	0.654	S	S	*	*	H	α-helix	trans	-72.7	-35	178.9	-150.7	123.5	0	0	0	112	T3 V4 S5 L10 L11	T3-L7 PolarHBondContact O-N 2.98Å; V4-L7 PolarHBondContact O-N 2.81Å; S5-L7 VanDerWaalsContact C-N 3.34Å; L7-L10 PolarHBondContact O-N 2.79Å; L7-L11 HydrophobicContact CD2-CD1 4.1Å; L7-L11 PolarHBondContact O-N 3.18Å
8	V	72.8	Confident	61.5	Low	93 Å²	93	112.4 Å²	112.4	56%	0.564	66%	0.661	S	S	*	*	H	α-helix	trans	-68.3	-40.3	174	170.7	0	0	0	0	111.3	V4 S5 L11 A12	V4-V8 HydrophobicContact CG1-CG2 4.43Å; V4-V8 VanDerWaalsContact O-CG2 3.29Å; V4-V8 WeakPolarHBondContact O-CG2 3.39Å; V4-V8 PolarHBondContact O-N 2.99Å; V4-V8 VanDerWaalsContact O-N 3.09Å; S5-V8 PolarHBondContact O-N 3.42Å; V8-L11 PolarHBondContact O-N 3.04Å; V8-A12 WeakPolarHBondContact O-CB 3.47Å; V8-A12 PolarHBondContact O-N 3.08Å
9	V	72.5	Confident	61	Low	89 Å²	89	112.9 Å²	112.9	54%	0.539	67%	0.67	S	S	.	*	H	α-helix	trans	-65.2	-42.4	174.9	172.5	0	0	0	0	110.8	S5 E6 L11 A12 V13	S5-V9 VanDerWaalsContact O-CG2 3.3Å; S5-V9 WeakPolarHBondContact O-CG2 3.29Å; S5-V9 PolarHBondContact O-N 2.97Å; S5-V9 VanDerWaalsContact O-N 3.11Å; E6-V9 PolarHBondContact O-N 3.27Å; V9-L11 PolarHBondContact O-N 2.85Å; V9-A12 PolarHBondContact O-N 2.86Å; V9-V13 VanDerWaalsContact O-CG2 3.29Å; V9-V13 WeakPolarHBondContact O-CG2 3.47Å; V9-V13 PolarHBondContact O-N 3.22Å; V9-V13 VanDerWaalsContact O-N 3.17Å
10	L	67.4	Low	60.9	Low	113 Å²	113	108.9 Å²	108.9	59%	0.592	65%	0.654	S	S	*	*	H	α-helix	trans	-63.1	-41.1	178.3	-162.3	82.4	0	0	0	112.6	E6 L7 V13 L14	E6-L10 WeakPolarHBondContact O-CB 3.47Å; E6-L10 PolarHBondContact O-N 2.88Å; L7-L10 PolarHBondContact O-N 2.79Å; L10-V13 PolarHBondContact O-N 2.98Å; L10-L14 PolarHBondContact O-N 3.05Å
11	L	65	Low	61.1	Low	108 Å²	108	112.7 Å²	112.7	57%	0.565	66%	0.658	S	S	*	*	H	α-helix	trans	-69.7	-34.8	177.5	-115.1	122.1	0	0	0	112.7	L7 V8 V9 V13 L14	L7-L11 HydrophobicContact CD2-CD1 4.1Å; L7-L11 PolarHBondContact O-N 3.18Å; V8-L11 PolarHBondContact O-N 3.04Å; V9-L11 PolarHBondContact O-N 2.85Å; L11-V13 VanDerWaalsContact C-N 3.29Å; L11-V13 PolarHBondContact O-N 2.64Å; L11-L14 PolarHBondContact O-N 2.81Å
12	A	63.9	Low	62.7	Low	70 Å²	70	106.9 Å²	106.9	58%	0.579	63%	0.627	S	S	*	*	H	α-helix	trans	-65.5	-33.5	174.8	0	0	0	0	0	112.3	V8 V9	V8-A12 WeakPolarHBondContact O-CB 3.47Å; V8-A12 PolarHBondContact O-N 3.08Å; V9-A12 PolarHBondContact O-N 2.86Å
13	V	64.3	Low	64.7	Low	100 Å²	100	99 Å²	99	61%	0.606	59%	0.593	S	S	*	*	H	α-helix	trans	-71.2	-31.3	178.3	172.1	0	0	0	0	112.2	V9 L10 L11	V9-V13 VanDerWaalsContact O-CG2 3.29Å; V9-V13 WeakPolarHBondContact O-CG2 3.47Å; V9-V13 PolarHBondContact O-N 3.22Å; V9-V13 VanDerWaalsContact O-N 3.17Å; L10-V13 PolarHBondContact O-N 2.98Å; L11-V13 VanDerWaalsContact C-N 3.29Å; L11-V13 PolarHBondContact O-N 2.64Å
14	L	59.4	Low	65.8	Low	127 Å²	127	98.8 Å²	98.8	67%	0.665	60%	0.595	S	S	*	*	H	α-helix	trans	-77.7	-19.3	-177	-78.6	158.7	0	0	0	114.5	L10 L11 A16	L10-L14 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 2.81Å; L14-A16 VanDerWaalsContact C-N 3.3Å; L14-A16 PolarHBondContact O-N 3.11Å
15	C	55.4	Low	67	Low	117 Å²	117	93 Å²	93	79%	0.791	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	0.7	178.6	-79.7	0	0	0	0	114.5
16	A	54.8	Low	68.3	Low	79 Å²	79	94.1 Å²	94.1	65%	0.653	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-0.1	-166.8	0	0	0	0	0	115.9	L14	L14-A16 VanDerWaalsContact C-N 3.3Å; L14-A16 PolarHBondContact O-N 3.11Å
17	T	49.2	Very low	69.5	Low	129 Å²	129	91.2 Å²	91.2	79%	0.791	55%	0.552	S	S	*	*			trans	-114.1	73.3	-169.7	63.7	0	0	0	0	113
18	A	53.6	Low	70.4	Confident	94 Å²	94	91.7 Å²	91.7	78%	0.777	55%	0.551	S	S	*	*			trans	-108.6	106.8	150.6	0	0	0	0	0	106.7	G20	A18-G20 PolarHBondContact O-N 2.79Å
19	S	51.6	Low	71.3	Confident	121 Å²	121	88.6 Å²	88.6	85%	0.846	54%	0.536	S	S	*	.			trans	-89.7	103.2	179.3	62.5	0	0	0	0	109.8
20	G	58	Low	72.3	Confident	33 Å²	33	88.5 Å²	88.5	34%	0.34	53%	0.529	S	S	.	.			trans	-77.1	157.4	153.2	0	0	0	0	0	109.7	A18 F22	A18-G20 PolarHBondContact O-N 2.79Å; G20-F22 WeakPolarHBondContact O-CD2 3.23Å; G20-F22 WeakPolarHBondContact O-CE2 3.25Å; G20-F22 PolarHBondContact O-N 2.92Å
21	Y	65.8	Low	73.6	Confident	189 Å²	189	87 Å²	87	74%	0.741	52%	0.519	S	S	*	.			trans	-72.3	109	166.1	-76.8	-80.7	0	0	0	108	M107 F108	Y21-M107 WeakPolarHBondContact O-CA 3.33Å; Y21-F108 PolarHBondContact O-N 2.87Å
22	F	84.2	Confident	75	Confident	113 Å²	113	83.1 Å²	83.1	50%	0.496	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.6	173.1	-62.5	-82.8	0	0	0	108.7	G20 A50 I105 V106 M107	G20-F22 WeakPolarHBondContact O-CD2 3.23Å; G20-F22 WeakPolarHBondContact O-CE2 3.25Å; G20-F22 PolarHBondContact O-N 2.92Å; F22-A50 HydrophobicContact CE1-CB 4.36Å; F22-I105 HydrophobicContact CB-CG2 4.12Å; F22-I105 HydrophobicContact CD1-CG2 3.88Å; F22-I105 HydrophobicContact CG-CG2 4.38Å; F22-V106 WeakPolarHBondContact CA-O 3.41Å; F22-M107 HydrophobicContact CD1-CB 3.89Å; F22-M107 HydrophobicContact CD1-CG 4.34Å; F22-M107 HydrophobicContact CE1-CB 3.73Å; F22-M107 HydrophobicContact CE1-CG 3.96Å; F22-M107 HydrophobicContact CE1-SD 3.97Å; F22-M107 HydrophobicContact CZ-CG 4.38Å; F22-M107 HydrophobicContact CZ-SD 4Å
23	V	90.1	Very high	76.5	Confident	18 Å²	18	82.8 Å²	82.8	11%	0.109	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.5	169.5	61.5	0	0	0	0	108.8	I25 E31 F33 I105 V106 F108	V23-I25 HydrophobicContact CG1-CD1 3.89Å; V23-I25 HydrophobicContact CG1-CG1 4.47Å; V23-I25 HydrophobicContact CG2-CG1 4.39Å; V23-E31 HydrophobicContact CG2-CB 3.99Å; V23-E31 HydrophobicContact CG2-CG 3.96Å; V23-F33 HydrophobicContact CB-CE2 4.43Å; V23-F33 HydrophobicContact CB-CZ 4.03Å; V23-F33 HydrophobicContact CG1-CE2 4.27Å; V23-F33 HydrophobicContact CG1-CZ 4.34Å; V23-F33 HydrophobicContact CG2-CE2 4.34Å; V23-F33 HydrophobicContact CG2-CZ 3.91Å; V23-I105 WeakPolarHBondContact O-CA 3.45Å; V23-V106 HydrophobicContact CG1-CB 4.1Å; V23-V106 PolarHBondContact N-O 3.3Å; V23-V106 PolarHBondContact O-N 2.83Å; V23-F108 HydrophobicContact CB-CE1 4Å; V23-F108 HydrophobicContact CG1-CD1 3.87Å; V23-F108 HydrophobicContact CG1-CE1 3.68Å
24	S	91.1	Very high	77.9	Confident	76 Å²	76	84.9 Å²	84.9	53%	0.531	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	114	170.3	54.9	0	0	0	0	108.9	K104	S24-K104 CarbonylContact C-O 3.51Å; S24-K104 WeakPolarHBondContact CA-O 3.18Å
25	I	92.4	Very high	79.5	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.5	174.2	-53	106	0	0	0	109	V23 A29 E31 I57 F94 N96 P103 K104 V106	V23-I25 HydrophobicContact CG1-CD1 3.89Å; V23-I25 HydrophobicContact CG1-CG1 4.47Å; V23-I25 HydrophobicContact CG2-CG1 4.39Å; I25-A29 HydrophobicContact CG2-CB 4.21Å; I25-A29 WeakPolarHBondContact CG2-O 3.42Å; I25-E31 HydrophobicContact CB-CG 4.42Å; I25-E31 HydrophobicContact CG1-CB 3.91Å; I25-E31 HydrophobicContact CG1-CG 3.85Å; I25-E31 HydrophobicContact CG2-CG 4.37Å; I25-I57 HydrophobicContact CD1-CD1 4.38Å; I25-F94 HydrophobicContact CD1-CB 3.82Å; I25-F94 HydrophobicContact CG1-CB 4.14Å; I25-N96 HydrophobicContact CB-CB 4.32Å; I25-N96 HydrophobicContact CG2-CB 3.66Å; I25-N96 PolarHBondContact O-ND2 3.4Å; I25-P103 CarbonylContact O-C 3.58Å; I25-P103 VanDerWaalsContact O-CA 3.25Å; I25-P103 WeakPolarHBondContact O-CA 3.49Å; I25-K104 PolarHBondContact N-O 3.29Å; I25-K104 PolarHBondContact O-N 2.82Å; I25-V106 HydrophobicContact CD1-CB 4.08Å; I25-V106 HydrophobicContact CD1-CG2 3.55Å
26	D	90.9	Very high	81.3	Confident	103 Å²	103	85.9 Å²	85.9	55%	0.551	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-63.4	164.5	177.7	-77.5	-29.8	0	0	0	112.9	H28 A29 N96	D26-H28 PolarHBondContact O-N 3.36Å; D26-A29 HydrophobicContact CB-CB 3.9Å; D26-A29 WeakPolarHBondContact O-CB 3.23Å; D26-A29 PolarHBondContact O-N 2.89Å; D26-A29 VanDerWaalsContact O-N 3.15Å; D26-N96 WeakPolarHBondContact O-CB 3.5Å; D26-N96 PolarHBondContact O-ND2 3.33Å; D26-N96 VanDerWaalsContact O-ND2 3.16Å
27	A	88.8	Confident	83	Confident	37 Å²	37	82.3 Å²	82.3	31%	0.306	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	130.1	176.3	0	0	0	0	0	110.7	A29 S99	A27-A29 PolarHBondContact O-N 2.9Å; A27-S99 WeakPolarHBondContact CB-O 3.48Å
28	H	87.8	Confident	85	Confident	116 Å²	116	80.7 Å²	80.7	54%	0.537	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	15.1	-176	-47.8	74.5	0	0	0	115	D26 N96	D26-H28 PolarHBondContact O-N 3.36Å; H28-N96 VanDerWaalsContact CA-O 3.3Å; H28-N96 WeakPolarHBondContact CA-O 3.37Å; H28-N96 PolarHBondContact N-O 3.22Å
29	A	90.9	Very high	86.7	Confident	28 Å²	28	78.8 Å²	78.8	23%	0.231	40%	0.404	C	S	.	.			trans	-96.8	162.9	173.5	0	0	0	0	0	111.5	I25 D26 A27 N96	I25-A29 HydrophobicContact CG2-CB 4.21Å; I25-A29 WeakPolarHBondContact CG2-O 3.42Å; D26-A29 HydrophobicContact CB-CB 3.9Å; D26-A29 WeakPolarHBondContact O-CB 3.23Å; D26-A29 PolarHBondContact O-N 2.89Å; D26-A29 VanDerWaalsContact O-N 3.15Å; A27-A29 PolarHBondContact O-N 2.9Å; A29-N96 PolarHBondContact O-N 3.15Å
30	E	92.9	Very high	88.3	Confident	87 Å²	87	74.6 Å²	74.6	41%	0.407	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.8	166.7	65.4	-178.7	-141.4	0	0	109.2	F94 K97	E30-F94 CarbonylContact C-O 3.49Å; E30-F94 VanDerWaalsContact CA-O 3.27Å; E30-F94 WeakPolarHBondContact CA-O 3.11Å; E30-K97 WeakPolarHBondContact OE2-CE 3.44Å; E30-K97 IonicContact OE2-NZ 2.76Å; E30-K97 PolarHBondContact OE2-NZ 3.16Å
31	E	94.6	Very high	89.7	Confident	81 Å²	81	73.2 Å²	73.2	38%	0.379	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.4	176.3	-72.7	-61.8	154.2	0	0	109	V23 I25 C93 F94	V23-E31 HydrophobicContact CG2-CB 3.99Å; V23-E31 HydrophobicContact CG2-CG 3.96Å; I25-E31 HydrophobicContact CB-CG 4.42Å; I25-E31 HydrophobicContact CG1-CB 3.91Å; I25-E31 HydrophobicContact CG1-CG 3.85Å; I25-E31 HydrophobicContact CG2-CG 4.37Å; E31-C93 CarbonylContact O-C 3.53Å; E31-C93 WeakPolarHBondContact O-CA 3.22Å; E31-F94 PolarHBondContact N-O 2.92Å; E31-F94 PolarHBondContact O-N 2.05Å
32	C	94.9	Very high	90.8	Very high	27 Å²	27	70.2 Å²	70.2	18%	0.182	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.6	-173.2	-61.2	0	0	0	0	112.3	Y34 K91 F92 C93	C32-Y34 HydrophobicContact CB-CE2 4.12Å; C32-K91 HydrophobicContact CB-CD 4.28Å; C32-K91 HydrophobicContact CB-CG 4.07Å; C32-F92 CarbonylContact C-O 3.52Å; C32-F92 VanDerWaalsContact CA-O 3.29Å; C32-F92 WeakPolarHBondContact CA-O 3.38Å; C32-C93 HydrophobicContact CB-CB 4.17Å; C32-C93 WeakPolarHBondContact CB-SG 3.38Å; C32-C93 WeakPolarHBondContact SG-CB 3.36Å; C32-C93 CovalentContact SG-SG 2.05Å; C32-C93 PolarHBondContact SG-SG 3.3Å
33	F	94.9	Very high	91.2	Very high	63 Å²	63	64.9 Å²	64.9	28%	0.276	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145	177	-59.1	-85.3	0	0	0	110	V23 K91 F92 F94 F108 I110	V23-F33 HydrophobicContact CB-CE2 4.43Å; V23-F33 HydrophobicContact CB-CZ 4.03Å; V23-F33 HydrophobicContact CG1-CE2 4.27Å; V23-F33 HydrophobicContact CG1-CZ 4.34Å; V23-F33 HydrophobicContact CG2-CE2 4.34Å; V23-F33 HydrophobicContact CG2-CZ 3.91Å; F33-K91 CarbonylContact O-C 3.58Å; F33-K91 WeakPolarHBondContact O-CA 3.2Å; F33-F92 PolarHBondContact N-O 3.3Å; F33-F92 PolarHBondContact O-N 2.84Å; F33-F94 HydrophobicContact CD2-CD2 4.19Å; F33-F94 HydrophobicContact CD2-CE2 4.1Å; F33-F94 HydrophobicContact CE2-CD2 4.01Å; F33-F94 HydrophobicContact CE2-CE2 4.12Å; F33-F108 HydrophobicContact CD1-CE2 4.33Å; F33-F108 AromaticContact CD1-CZ 3.85Å; F33-F108 HydrophobicContact CD1-CZ 3.85Å; F33-F108 HydrophobicContact CD2-CE1 4.36Å; F33-F108 HydrophobicContact CD2-CE2 4Å; F33-F108 AromaticContact CD2-CZ 3.72Å; F33-F108 HydrophobicContact CD2-CZ 3.72Å; F33-F108 HydrophobicContact CE1-CE1 4.25Å; F33-F108 HydrophobicContact CE1-CE2 4.46Å; F33-F108 AromaticContact CE1-CZ 3.56Å; F33-F108 HydrophobicContact CE1-CZ 3.56Å; F33-F108 AromaticContact CE2-CE1 3.67Å; F33-F108 HydrophobicContact CE2-CE1 3.67Å; F33-F108 HydrophobicContact CE2-CE2 4.14Å; F33-F108 AromaticContact CE2-CZ 3.41Å; F33-F108 HydrophobicContact CE2-CZ 3.41Å; F33-F108 VanDerWaalsContact CE2-CZ 3.41Å; F33-F108 HydrophobicContact CG-CE2 4.11Å; F33-F108 AromaticContact CG-CZ 3.94Å; F33-F108 HydrophobicContact CG-CZ 3.94Å; F33-F108 AromaticContact CZ-CE1 3.61Å; F33-F108 HydrophobicContact CZ-CE1 3.61Å; F33-F108 HydrophobicContact CZ-CE2 4.37Å; F33-F108 AromaticContact CZ-CZ 3.33Å; F33-F108 HydrophobicContact CZ-CZ 3.33Å; F33-I110 HydrophobicContact CB-CD1 4.02Å
34	Y	94.4	Very high	91.2	Very high	144 Å²	144	64.6 Å²	64.6	57%	0.565	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	127.6	-171.4	-61.9	-89.4	0	0	0	110.3	C32 T89 Y90 K91	C32-Y34 HydrophobicContact CB-CE2 4.12Å; Y34-T89 HydrophobicContact CD1-CG2 3.92Å; Y34-T89 HydrophobicContact CG-CG2 4.31Å; Y34-Y90 WeakPolarHBondContact CA-O 3.1Å; Y34-K91 HydrophobicContact CD1-CB 4.06Å; Y34-K91 HydrophobicContact CD1-CG 3.99Å; Y34-K91 HydrophobicContact CE1-CB 3.96Å; Y34-K91 HydrophobicContact CE1-CD 3.67Å; Y34-K91 HydrophobicContact CE1-CG 3.51Å
35	E	92.8	Very high	91.3	Very high	76 Å²	76	61 Å²	61	36%	0.355	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.4	176.7	-76.4	-62.2	168.5	0	0	111.2	T89 Y90 F92 I110 I112	E35-T89 CarbonylContact O-C 3.52Å; E35-T89 WeakPolarHBondContact O-CA 3.19Å; E35-Y90 PolarHBondContact N-O 3.25Å; E35-Y90 PolarHBondContact O-N 3.33Å; E35-F92 HydrophobicContact CB-CE2 4.3Å; E35-I110 HydrophobicContact CG-CG2 4.19Å; E35-I112 HydrophobicContact CB-CD1 4.01Å; E35-I112 HydrophobicContact CG-CD1 3.86Å; E35-I112 WeakPolarHBondContact OE2-CD1 3.45Å
36	R	92.8	Very high	91.3	Very high	189 Å²	189	63.1 Å²	63.1	71%	0.713	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.2	179.8	-170.3	178.2	179.5	96.9	0.1	109.3	G88	R36-G88 WeakPolarHBondContact CA-O 3.36Å
37	V	92	Very high	91.4	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.03	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	156.6	-177.7	-60.9	0	0	0	0	111.3	T41 M43 A84 G88 Y90 I112	V37-T41 HydrophobicContact CB-CG2 4.42Å; V37-M43 HydrophobicContact CB-SD 4.38Å; V37-M43 HydrophobicContact CG1-CG 4.12Å; V37-M43 HydrophobicContact CG1-SD 3.99Å; V37-M43 HydrophobicContact CG2-CE 4.14Å; V37-M43 HydrophobicContact CG2-CG 4.34Å; V37-M43 HydrophobicContact CG2-SD 3.55Å; V37-M43 VanDerWaalsContact CG2-SD 3.55Å; V37-A84 HydrophobicContact CG2-CB 3.66Å; V37-G88 PolarHBondContact N-O 3.21Å; V37-G88 PolarHBondContact O-N 2.92Å; V37-Y90 HydrophobicContact CG2-CD2 3.35Å; V37-Y90 HydrophobicContact CG2-CE2 3.37Å; V37-Y90 HydrophobicContact CG2-CG 4.34Å; V37-I112 HydrophobicContact CG1-CD1 4.16Å; V37-I112 HydrophobicContact CG1-CG1 4.41Å; V37-I112 HydrophobicContact CG1-CG2 3.75Å
38	N	90.9	Very high	91.6	Very high	94 Å²	94	61.9 Å²	61.9	50%	0.503	30%	0.302	S	S	.	.			trans	-86.8	158	172.6	-63.3	-3.8	0	0	0	109.9	T41 A84 A115	N38-T41 WeakPolarHBondContact O-CB 3.3Å; N38-T41 PolarHBondContact O-N 2.8Å; N38-T41 VanDerWaalsContact O-N 3.15Å; N38-T41 PolarHBondContact O-OG1 2.79Å; N38-A84 WeakPolarHBondContact O-CB 3.18Å; N38-A115 HydrophobicContact CB-CB 4.26Å
39	S	89.4	Confident	91.8	Very high	54 Å²	54	56.9 Å²	56.9	38%	0.378	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	139	176.9	-171.7	0	0	0	0	110.6	T41 H85 D87	S39-T41 PolarHBondContact O-N 2.82Å; S39-H85 PolarHBondContact OG-O 2.66Å; S39-D87 WeakPolarHBondContact CA-OD1 3.25Å; S39-D87 WeakPolarHBondContact CB-OD1 2.98Å; S39-D87 PolarHBondContact N-OD1 2.97Å
40	G	84.8	Confident	91.6	Very high	33 Å²	33	58.2 Å²	58.2	34%	0.34	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	-9.3	-175.7	0	0	0	0	0	115.1	K42 A84	G40-K42 PolarHBondContact O-N 2.96Å; G40-A84 PolarHBondContact N-O 3.14Å
41	T	88.1	Confident	91.3	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.025	30%	0.3	C	S	.	.			trans	-67.3	128.8	176.5	-49.8	0	0	0	0	110.4	V37 N38 S39 A83 A84 I112 G113 A115	V37-T41 HydrophobicContact CB-CG2 4.42Å; N38-T41 WeakPolarHBondContact O-CB 3.3Å; N38-T41 PolarHBondContact O-N 2.8Å; N38-T41 VanDerWaalsContact O-N 3.15Å; N38-T41 PolarHBondContact O-OG1 2.79Å; S39-T41 PolarHBondContact O-N 2.82Å; T41-A83 WeakPolarHBondContact O-CA 3.38Å; T41-A84 WeakPolarHBondContact O-CB 3.23Å; T41-A84 PolarHBondContact O-N 2.77Å; T41-I112 HydrophobicContact CG2-CG2 3.77Å; T41-G113 WeakPolarHBondContact CG2-O 3.5Å; T41-A115 WeakPolarHBondContact OG1-CB 3.43Å
42	K	88.4	Confident	90.7	Very high	126 Å²	126	57 Å²	57	55%	0.548	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.4	174.6	-68.8	-175.2	179.4	177.8	0	110.1	G40 G113	G40-K42 PolarHBondContact O-N 2.96Å; K42-G113 WeakPolarHBondContact O-CA 3.44Å; K42-G113 PolarHBondContact O-N 2.91Å
43	M	91.6	Very high	90	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142	172	-61.8	173.9	-72.2	0	0	109.3	V37 S81 V82 A84 Y90 F92 D111	V37-M43 HydrophobicContact CB-SD 4.38Å; V37-M43 HydrophobicContact CG1-CG 4.12Å; V37-M43 HydrophobicContact CG1-SD 3.99Å; V37-M43 HydrophobicContact CG2-CE 4.14Å; V37-M43 HydrophobicContact CG2-CG 4.34Å; V37-M43 HydrophobicContact CG2-SD 3.55Å; V37-M43 VanDerWaalsContact CG2-SD 3.55Å; M43-S81 CarbonylContact O-C 3.55Å; M43-S81 WeakPolarHBondContact O-CA 3.27Å; M43-S81 PolarHBondContact O-OG 3.41Å; M43-V82 HydrophobicContact CE-CG1 4.19Å; M43-V82 PolarHBondContact N-O 2.89Å; M43-V82 PolarHBondContact O-N 3.46Å; M43-A84 HydrophobicContact CE-CB 3.95Å; M43-Y90 HydrophobicContact CE-CD1 3.39Å; M43-Y90 HydrophobicContact CE-CD2 4.01Å; M43-Y90 HydrophobicContact CE-CE1 3.53Å; M43-Y90 HydrophobicContact CE-CE2 4.16Å; M43-Y90 HydrophobicContact CE-CG 3.65Å; M43-Y90 HydrophobicContact SD-CD1 4.16Å; M43-Y90 HydrophobicContact SD-CD2 4.05Å; M43-Y90 HydrophobicContact SD-CG 3.8Å; M43-F92 HydrophobicContact CB-CZ 4.42Å; M43-F92 HydrophobicContact SD-CZ 4.11Å; M43-D111 CarbonylContact C-O 3.54Å; M43-D111 WeakPolarHBondContact CA-O 3.25Å
44	G	90.8	Very high	89.5	Confident	11 Å²	11	63.2 Å²	63.2	11%	0.113	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.9	174.3	0	0	0	0	0	110.4	Y80 I110 D111	G44-Y80 CarbonylContact C-O 3.6Å; G44-Y80 VanDerWaalsContact CA-O 3.31Å; G44-Y80 WeakPolarHBondContact CA-O 3.25Å; G44-I110 CarbonylContact O-C 3.59Å; G44-I110 VanDerWaalsContact O-CA 3.31Å; G44-I110 WeakPolarHBondContact O-CA 3.35Å; G44-D111 PolarHBondContact N-O 3.34Å; G44-D111 PolarHBondContact O-N 2.82Å
45	L	93.3	Very high	89.1	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.7	168.6	176.4	70.8	0	0	0	108	F47 V59 I61 K79 Y80 F92 F94 I110	L45-F47 HydrophobicContact CD2-CD1 4.22Å; L45-F47 HydrophobicContact CG-CD1 4.38Å; L45-V59 HydrophobicContact CD2-CG1 3.73Å; L45-I61 HydrophobicContact CD2-CD1 4.07Å; L45-I61 HydrophobicContact CD2-CG1 4.43Å; L45-K79 CarbonylContact O-C 3.5Å; L45-K79 WeakPolarHBondContact O-CA 3.1Å; L45-Y80 PolarHBondContact N-O 3.35Å; L45-Y80 PolarHBondContact O-N 3.48Å; L45-F92 HydrophobicContact CB-CD1 4.31Å; L45-F92 HydrophobicContact CB-CE1 4.24Å; L45-F92 HydrophobicContact CD1-CD1 4.26Å; L45-F92 HydrophobicContact CD2-CD1 4.16Å; L45-F92 HydrophobicContact CG-CD1 4.47Å; L45-F94 HydrophobicContact CD1-CZ 4.13Å; L45-I110 HydrophobicContact CD1-CG1 3.9Å
46	M	91.5	Very high	89	Confident	43 Å²	43	57.6 Å²	57.6	21%	0.212	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.8	166.7	-58.2	-165.8	-146.7	0	0	108.5	G78 K79 F108 T109	M46-G78 WeakPolarHBondContact CA-O 3.39Å; M46-K79 HydrophobicContact CE-CD 3.87Å; M46-K79 VanDerWaalsContact CE-CE 3.48Å; M46-K79 HydrophobicContact CE-CG 4.39Å; M46-K79 HydrophobicContact CG-CB 4.22Å; M46-K79 HydrophobicContact CG-CD 4.19Å; M46-K79 HydrophobicContact CG-CG 3.9Å; M46-K79 HydrophobicContact SD-CD 3.81Å; M46-K79 HydrophobicContact SD-CG 4.2Å; M46-F108 CarbonylContact O-C 3.53Å; M46-F108 WeakPolarHBondContact O-CA 3.47Å; M46-F108 WeakPolarHBondContact O-CB 3.41Å; M46-T109 PolarHBondContact N-O 3.03Å; M46-T109 PolarHBondContact O-N 3.05Å
47	F	93.3	Very high	89	Confident	8 Å²	8	48.7 Å²	48.7	4%	0.035	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.5	175.4	73.1	-85.1	0	0	0	112.4	L45 I57 V59 E75 S77 G78 Y80 F94 V106 M107 F108	L45-F47 HydrophobicContact CD2-CD1 4.22Å; L45-F47 HydrophobicContact CG-CD1 4.38Å; F47-I57 HydrophobicContact CD2-CG2 4.09Å; F47-I57 HydrophobicContact CE2-CG2 3.83Å; F47-V59 HydrophobicContact CD1-CG2 4.25Å; F47-V59 HydrophobicContact CD2-CG2 4.25Å; F47-V59 HydrophobicContact CE1-CB 4.41Å; F47-V59 HydrophobicContact CE1-CG1 4.38Å; F47-V59 HydrophobicContact CE1-CG2 3.76Å; F47-V59 HydrophobicContact CE2-CG2 3.78Å; F47-V59 HydrophobicContact CG-CG2 4.48Å; F47-V59 HydrophobicContact CZ-CB 4.45Å; F47-V59 HydrophobicContact CZ-CG2 3.52Å; F47-E75 HydrophobicContact CE2-CB 4.14Å; F47-E75 HydrophobicContact CZ-CB 3.8Å; F47-S77 WeakPolarHBondContact O-CA 3.1Å; F47-S77 WeakPolarHBondContact O-CB 3.29Å; F47-G78 PolarHBondContact N-O 3.32Å; F47-G78 PolarHBondContact O-N 3.23Å; F47-Y80 HydrophobicContact CE1-CD2 4.05Å; F47-Y80 AromaticContact CE1-CE2 3.78Å; F47-Y80 HydrophobicContact CE1-CE2 3.78Å; F47-Y80 HydrophobicContact CZ-CE2 4.44Å; F47-F94 HydrophobicContact CB-CE1 3.87Å; F47-F94 HydrophobicContact CB-CZ 4.16Å; F47-F94 HydrophobicContact CD1-CE1 4.4Å; F47-F94 HydrophobicContact CD2-CE1 4.34Å; F47-F94 AromaticContact CG-CE1 3.95Å; F47-F94 HydrophobicContact CG-CE1 3.95Å; F47-V106 HydrophobicContact CB-CG1 4.11Å; F47-V106 HydrophobicContact CD2-CG1 4.44Å; F47-M107 CarbonylContact C-O 3.56Å; F47-M107 WeakPolarHBondContact CA-O 3.29Å; F47-F108 HydrophobicContact CB-CB 3.92Å
48	E	93.1	Very high	89.1	Confident	107 Å²	107	50 Å²	50	50%	0.5	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	131.2	174.7	-175.6	170.5	-176.6	0	0	109.6	A50 M107	E48-A50 PolarHBondContact O-N 2.83Å; E48-M107 HydrophobicContact CB-CE 4.34Å; E48-M107 PolarHBondContact N-O 2.9Å; E48-M107 PolarHBondContact O-N 3.03Å
49	V	91.4	Very high	89.3	Confident	11 Å²	11	45.6 Å²	45.6	7%	0.067	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	111.2	176.4	-174.6	0	0	0	0	108.7	L55 I57 S76 V106	V49-L55 HydrophobicContact CG1-CB 4.43Å; V49-L55 HydrophobicContact CG1-CD2 4.34Å; V49-I57 HydrophobicContact CG2-CB 3.97Å; V49-I57 HydrophobicContact CG2-CG2 3.69Å; V49-S76 WeakPolarHBondContact CG2-O 3.11Å; V49-S76 PolarHBondContact N-O 2.65Å; V49-V106 HydrophobicContact CG2-CG2 4.31Å
50	A	88.1	Confident	89.6	Confident	56 Å²	56	45.8 Å²	45.8	46%	0.463	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-40.7	-178	0	0	0	0	0	112	F22 E48 I105	F22-A50 HydrophobicContact CE1-CB 4.36Å; E48-A50 PolarHBondContact O-N 2.83Å; A50-I105 HydrophobicContact CB-CG2 4.26Å; A50-I105 PolarHBondContact N-O 2.9Å
51	E	86.5	Confident	90.1	Very high	127 Å²	127	44.4 Å²	44.4	59%	0.593	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-154.4	152.1	-175.6	-160	172	178.9	0	0	112.5	K104 I105	E51-K104 WeakPolarHBondContact O-CA 3.12Å; E51-I105 HydrophobicContact CB-CB 4.23Å; E51-I105 HydrophobicContact CB-CD1 4.2Å; E51-I105 HydrophobicContact CB-CG1 4.36Å; E51-I105 PolarHBondContact N-O 3.38Å; E51-I105 PolarHBondContact O-N 2.77Å
52	G	81.1	Confident	90.4	Very high	15 Å²	15	44.8 Å²	44.8	16%	0.155	24%	0.242	C	C	.	.	S	Bend	trans	112.8	136.7	170.4	0	0	0	0	0	115	F54 L55	G52-F54 PolarHBondContact O-N 2.93Å; G52-L55 PolarHBondContact O-N 2.82Å
53	G	80.9	Confident	90.7	Very high	51 Å²	51	39.1 Å²	39.1	53%	0.526	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-127.8	173.6	0	0	0	0	0	114.5	L55	G53-L55 VanDerWaalsContact C-N 3.33Å
54	F	83.3	Confident	90.8	Very high	170 Å²	170	41.3 Å²	41.3	75%	0.746	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	14.9	177	-65.8	-74.6	0	0	0	113.6	G52 D56	G52-F54 PolarHBondContact O-N 2.93Å; F54-D56 PolarHBondContact O-N 2.67Å
55	L	87.8	Confident	90.9	Very high	86 Å²	86	44.5 Å²	44.5	45%	0.45	25%	0.247	S	C	.	.	S	Bend	trans	56.6	36.5	-174.7	-54.3	173	0	0	0	113	V49 G52 G53 S76	V49-L55 HydrophobicContact CG1-CB 4.43Å; V49-L55 HydrophobicContact CG1-CD2 4.34Å; G52-L55 PolarHBondContact O-N 2.82Å; G53-L55 VanDerWaalsContact C-N 3.33Å; L55-S76 WeakPolarHBondContact O-CA 3.33Å; L55-S76 WeakPolarHBondContact O-CB 3.41Å
56	D	90.4	Very high	90.7	Very high	16 Å²	16	47.1 Å²	47.1	9%	0.086	28%	0.275	C	S	.	.			trans	-118.7	154.2	176.8	58.4	2.9	0	0	0	110.9	F54 R74 E75 K104	F54-D56 PolarHBondContact O-N 2.67Å; D56-R74 HydrophobicContact CB-CB 4.08Å; D56-R74 IonicContact OD2-CZ 3.28Å; D56-R74 IonicContact OD2-NE 3.92Å; D56-R74 PolarHBondContact OD2-NE 2.94Å; D56-R74 IonicContact OD2-NH2 3.87Å; D56-R74 PolarHBondContact OD2-NH2 3.02Å; D56-R74 VanDerWaalsContact OD2-NH2 3.07Å; D56-E75 CarbonylContact C-O 3.48Å; D56-E75 WeakPolarHBondContact CA-O 3.34Å; D56-K104 WeakPolarHBondContact O-CD 3.47Å; D56-K104 VanDerWaalsContact O-CE 3.25Å; D56-K104 WeakPolarHBondContact O-CE 3.22Å; D56-K104 PolarHBondContact O-NZ 2.83Å; D56-K104 IonicContact OD1-NZ 2.98Å; D56-K104 PolarHBondContact OD1-NZ 2.82Å
57	I	92.4	Very high	90.7	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	151	171.9	-165.3	69.4	0	0	0	109.9	I25 F47 V49 V59 R74 E75 F94 S95 N96 K104 V106	I25-I57 HydrophobicContact CD1-CD1 4.38Å; F47-I57 HydrophobicContact CD2-CG2 4.09Å; F47-I57 HydrophobicContact CE2-CG2 3.83Å; V49-I57 HydrophobicContact CG2-CB 3.97Å; V49-I57 HydrophobicContact CG2-CG2 3.69Å; I57-V59 HydrophobicContact CG2-CG2 3.86Å; I57-R74 PolarHBondContact O-N 3.34Å; I57-E75 PolarHBondContact N-O 2.76Å; I57-E75 PolarHBondContact O-N 3.15Å; I57-F94 HydrophobicContact CG1-CB 4.17Å; I57-F94 HydrophobicContact CG1-CD1 4.44Å; I57-F94 HydrophobicContact CG2-CD1 4.39Å; I57-S95 WeakPolarHBondContact CD1-O 3.44Å; I57-N96 HydrophobicContact CD1-CB 4.09Å; I57-K104 HydrophobicContact CD1-CB 4.49Å; I57-K104 HydrophobicContact CD1-CD 3.84Å; I57-V106 HydrophobicContact CB-CG2 4.42Å; I57-V106 HydrophobicContact CG1-CG2 4.22Å; I57-V106 HydrophobicContact CG2-CG2 4.41Å
58	D	93.9	Very high	90.7	Very high	33 Å²	33	55.4 Å²	55.4	18%	0.176	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.8	171.3	-56.5	-32.4	0	0	0	108.8	G72 D73 R74 F94 S95	D58-G72 CarbonylContact C-O 3.57Å; D58-G72 VanDerWaalsContact CA-O 3.32Å; D58-G72 WeakPolarHBondContact CA-O 3.5Å; D58-D73 WeakPolarHBondContact OD1-CA 3.17Å; D58-R74 PolarHBondContact OD1-N 3.15Å; D58-F94 WeakPolarHBondContact O-CA 3.45Å; D58-S95 PolarHBondContact N-O 2.95Å; D58-S95 PolarHBondContact O-N 2.94Å
59	V	94.8	Very high	90.6	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130	-178.5	-175.7	0	0	0	0	109.6	L45 F47 I57 Y70 K71 G72 C93 F94	L45-V59 HydrophobicContact CD2-CG1 3.73Å; F47-V59 HydrophobicContact CD1-CG2 4.25Å; F47-V59 HydrophobicContact CD2-CG2 4.25Å; F47-V59 HydrophobicContact CE1-CB 4.41Å; F47-V59 HydrophobicContact CE1-CG1 4.38Å; F47-V59 HydrophobicContact CE1-CG2 3.76Å; F47-V59 HydrophobicContact CE2-CG2 3.78Å; F47-V59 HydrophobicContact CG-CG2 4.48Å; F47-V59 HydrophobicContact CZ-CB 4.45Å; F47-V59 HydrophobicContact CZ-CG2 3.52Å; I57-V59 HydrophobicContact CG2-CG2 3.86Å; V59-Y70 HydrophobicContact CB-CE1 4.34Å; V59-Y70 HydrophobicContact CG1-CE1 4.32Å; V59-K71 CarbonylContact O-C 3.58Å; V59-K71 WeakPolarHBondContact O-CA 3.45Å; V59-G72 PolarHBondContact N-O 3.47Å; V59-G72 PolarHBondContact O-N 2.97Å; V59-C93 WeakPolarHBondContact CA-O 3.45Å; V59-F94 HydrophobicContact CG1-CE1 4.28Å; V59-F94 HydrophobicContact CG2-CD1 3.82Å; V59-F94 HydrophobicContact CG2-CE1 3.92Å
60	E	95.3	Very high	90.7	Very high	58 Å²	58	54.4 Å²	54.4	27%	0.271	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.7	178.3	-178.2	171.8	-177.1	0	0	110.8	Q68 C93	E60-Q68 VanDerWaalsContact CD-NE2 3.29Å; E60-Q68 HydrophobicContact CG-CG 4.39Å; E60-Q68 PolarHBondContact OE1-NE2 3.05Å; E60-Q68 VanDerWaalsContact OE1-NE2 3.08Å; E60-C93 HydrophobicContact CB-CB 4.49Å; E60-C93 PolarHBondContact N-O 3.3Å; E60-C93 PolarHBondContact O-N 3.31Å
61	I	95.3	Very high	91	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.015	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.6	173.1	-52.4	176.7	0	0	0	108	L45 I69 Y70 K91 F92	L45-I61 HydrophobicContact CD2-CD1 4.07Å; L45-I61 HydrophobicContact CD2-CG1 4.43Å; I61-I69 HydrophobicContact CB-CB 4.48Å; I61-I69 HydrophobicContact CG2-CB 4.33Å; I61-I69 HydrophobicContact CG2-CD1 4.38Å; I61-I69 PolarHBondContact O-N 2.71Å; I61-Y70 HydrophobicContact CD1-CD1 4.05Å; I61-Y70 HydrophobicContact CD1-CG 4.43Å; I61-Y70 HydrophobicContact CG1-CD1 4.14Å; I61-Y70 PolarHBondContact N-O 3.36Å; I61-Y70 PolarHBondContact O-N 3.34Å; I61-K91 CarbonylContact C-O 3.53Å; I61-K91 WeakPolarHBondContact CA-O 3.38Å; I61-F92 HydrophobicContact CB-CD1 4.5Å; I61-F92 HydrophobicContact CD1-CD1 3.97Å; I61-F92 HydrophobicContact CD1-CE1 3.93Å; I61-F92 HydrophobicContact CG1-CD1 3.8Å; I61-F92 HydrophobicContact CG1-CE1 4.16Å; I61-F92 HydrophobicContact CG2-CD1 4.06Å; I61-F92 HydrophobicContact CG2-CE1 3.9Å; I61-F92 HydrophobicContact CG2-CZ 4.45Å
62	T	95.6	Very high	91.3	Very high	13 Å²	13	50.9 Å²	50.9	8%	0.08	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.9	179.2	-37.3	0	0	0	0	110.4	K67 K91	T62-K67 WeakPolarHBondContact CA-O 3.46Å; T62-K67 WeakPolarHBondContact CG2-O 3.36Å; T62-K91 PolarHBondContact N-O 2.84Å; T62-K91 PolarHBondContact O-N 2.91Å; T62-K91 VanDerWaalsContact OG1-CE 3.29Å; T62-K91 WeakPolarHBondContact OG1-CE 3.43Å
63	G	93.5	Very high	91.9	Very high	6 Å²	6	54.7 Å²	54.7	6%	0.062	30%	0.295	C	S	.	.			trans	-77.3	170.6	172.5	0	0	0	0	0	113.6	D65 G66 K67	G63-D65 PolarHBondContact O-N 2.83Å; G63-G66 PolarHBondContact O-N 2.89Å; G63-K67 PolarHBondContact N-O 2.84Å
64	P	94.2	Very high	92.3	Very high	48 Å²	48	59.9 Å²	59.9	31%	0.312	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.7	177.7	26.4	-35	0	0	0	114.1	M86 T89 Y90	P64-M86 HydrophobicContact CG-CE 4.1Å; P64-M86 HydrophobicContact CG-CG 3.47Å; P64-M86 VanDerWaalsContact CG-CG 3.47Å; P64-M86 HydrophobicContact CG-SD 3.81Å; P64-T89 WeakPolarHBondContact CA-O 3.5Å; P64-T89 WeakPolarHBondContact CB-O 3.38Å; P64-Y90 HydrophobicContact CG-CE2 4.11Å
65	D	92.6	Very high	92.7	Very high	78 Å²	78	53.9 Å²	53.9	42%	0.417	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-1.9	170.6	55.5	-12.9	0	0	0	113.5	G63 K67 H85 M86	G63-D65 PolarHBondContact O-N 2.83Å; D65-K67 VanDerWaalsContact CG-CB 3.46Å; D65-K67 PolarHBondContact O-N 3.48Å; D65-K67 VanDerWaalsContact OD1-CB 3.32Å; D65-K67 WeakPolarHBondContact OD1-CB 3.35Å; D65-K67 PolarHBondContact OD1-N 2.77Å; D65-K67 VanDerWaalsContact OD1-N 3.16Å; D65-K67 VanDerWaalsContact OD2-CB 3.27Å; D65-K67 WeakPolarHBondContact OD2-CB 3.35Å; D65-H85 VanDerWaalsContact CG-NE2 3.31Å; D65-H85 IonicContact OD1-CE1 2.81Å; D65-H85 IonicContact OD1-NE2 2.79Å; D65-H85 PolarHBondContact OD1-NE2 2.81Å; D65-H85 IonicContact OD2-CD2 2.89Å; D65-H85 IonicContact OD2-CE1 2.87Å; D65-H85 IonicContact OD2-NE2 3.44Å; D65-H85 PolarHBondContact OD2-NE2 3.43Å; D65-M86 HydrophobicContact CB-CE 4.49Å; D65-M86 HydrophobicContact CB-SD 3.71Å
66	G	89.3	Confident	92.9	Very high	57 Å²	57	53 Å²	53	59%	0.588	27%	0.274	S	S	*	.	S	Bend	trans	75.6	7.6	-172.7	0	0	0	0	0	113.2	G63	G63-G66 PolarHBondContact O-N 2.89Å
67	K	91.6	Very high	93	Very high	137 Å²	137	55.3 Å²	55.3	60%	0.596	29%	0.291	S	S	*	.			trans	-77.8	131.9	177.3	-171.9	179.1	176.7	-175.5	0	110	T62 G63 D65 I69	T62-K67 WeakPolarHBondContact CA-O 3.46Å; T62-K67 WeakPolarHBondContact CG2-O 3.36Å; G63-K67 PolarHBondContact N-O 2.84Å; D65-K67 VanDerWaalsContact CG-CB 3.46Å; D65-K67 PolarHBondContact O-N 3.48Å; D65-K67 VanDerWaalsContact OD1-CB 3.32Å; D65-K67 WeakPolarHBondContact OD1-CB 3.35Å; D65-K67 PolarHBondContact OD1-N 2.77Å; D65-K67 VanDerWaalsContact OD1-N 3.16Å; D65-K67 VanDerWaalsContact OD2-CB 3.27Å; D65-K67 WeakPolarHBondContact OD2-CB 3.35Å; K67-I69 PolarHBondContact O-N 3.07Å
68	Q	92.9	Very high	92.8	Very high	89 Å²	89	56.1 Å²	56.1	42%	0.416	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	116.9	172.1	-173.5	167.8	44.9	0	0	109.6	E60 K71	E60-Q68 VanDerWaalsContact CD-NE2 3.29Å; E60-Q68 HydrophobicContact CG-CG 4.39Å; E60-Q68 PolarHBondContact OE1-NE2 3.05Å; E60-Q68 VanDerWaalsContact OE1-NE2 3.08Å; Q68-K71 HydrophobicContact CG-CB 4.34Å; Q68-K71 VanDerWaalsContact NE2-CB 3.32Å
69	I	92.8	Very high	92.7	Very high	51 Å²	51	60.6 Å²	60.6	26%	0.262	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-41.9	179.8	-64	169.3	0	0	0	109.6	I61 K67 V82 Y90	I61-I69 HydrophobicContact CB-CB 4.48Å; I61-I69 HydrophobicContact CG2-CB 4.33Å; I61-I69 HydrophobicContact CG2-CD1 4.38Å; I61-I69 PolarHBondContact O-N 2.71Å; K67-I69 PolarHBondContact O-N 3.07Å; I69-V82 HydrophobicContact CG2-CB 4.37Å; I69-V82 HydrophobicContact CG2-CG1 4.23Å; I69-V82 HydrophobicContact CG2-CG2 3.72Å; I69-Y90 HydrophobicContact CD1-CD1 3.54Å; I69-Y90 HydrophobicContact CD1-CE1 3.4Å; I69-Y90 VanDerWaalsContact CD1-CE1 3.4Å
70	Y	93.4	Very high	92.5	Very high	45 Å²	45	63.5 Å²	63.5	18%	0.176	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	144.9	-179.3	173.2	-98.2	0	0	0	110.5	V59 I61 G72 E75 Y80	V59-Y70 HydrophobicContact CB-CE1 4.34Å; V59-Y70 HydrophobicContact CG1-CE1 4.32Å; I61-Y70 HydrophobicContact CD1-CD1 4.05Å; I61-Y70 HydrophobicContact CD1-CG 4.43Å; I61-Y70 HydrophobicContact CG1-CD1 4.14Å; I61-Y70 PolarHBondContact N-O 3.36Å; I61-Y70 PolarHBondContact O-N 3.34Å; Y70-G72 WeakPolarHBondContact OH-CA 3.32Å; Y70-G72 PolarHBondContact OH-N 3.42Å; Y70-E75 PolarHBondContact OH-OE1 2.84Å; Y70-E75 PolarHBondContact OH-OE2 2.89Å; Y70-E75 VanDerWaalsContact OH-OE2 3.07Å; Y70-Y80 HydrophobicContact CD1-CD2 4.49Å; Y70-Y80 HydrophobicContact CD1-CG 4.48Å; Y70-Y80 HydrophobicContact CD2-CD1 4.06Å; Y70-Y80 HydrophobicContact CD2-CE1 4.01Å; Y70-Y80 HydrophobicContact CE1-CD1 4.37Å; Y70-Y80 AromaticContact CE1-CD2 3.97Å; Y70-Y80 HydrophobicContact CE1-CD2 3.97Å; Y70-Y80 HydrophobicContact CE1-CE1 4.19Å; Y70-Y80 AromaticContact CE1-CE2 3.73Å; Y70-Y80 HydrophobicContact CE1-CE2 3.73Å; Y70-Y80 HydrophobicContact CE1-CG 4.29Å; Y70-Y80 AromaticContact CE1-CZ 3.88Å; Y70-Y80 AromaticContact CE2-CD1 3.82Å; Y70-Y80 HydrophobicContact CE2-CD1 3.82Å; Y70-Y80 AromaticContact CE2-CE1 3.3Å; Y70-Y80 HydrophobicContact CE2-CE1 3.3Å; Y70-Y80 HydrophobicContact CE2-CE2 4.29Å; Y70-Y80 AromaticContact CE2-CZ 3.6Å; Y70-Y80 HydrophobicContact CG-CD1 4.46Å; Y70-Y80 AromaticContact CZ-CE1 3.44Å; Y70-Y80 VanDerWaalsContact CZ-CE1 3.44Å; Y70-Y80 AromaticContact CZ-CE2 3.54Å; Y70-Y80 AromaticContact CZ-CZ 3.19Å; Y70-Y80 WeakPolarHBondContact OH-CE2 3.18Å; Y70-Y80 PolarHBondContact OH-OH 3.39Å
71	K	94.1	Very high	92.1	Very high	107 Å²	107	65 Å²	65	47%	0.465	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	116.8	174.4	-161.7	-169.4	-177.9	-130.6	0	108.9	V59 Q68 D73	V59-K71 CarbonylContact O-C 3.58Å; V59-K71 WeakPolarHBondContact O-CA 3.45Å; Q68-K71 HydrophobicContact CG-CB 4.34Å; Q68-K71 VanDerWaalsContact NE2-CB 3.32Å; K71-D73 VanDerWaalsContact CE-OD1 3.22Å; K71-D73 WeakPolarHBondContact CE-OD1 3.4Å; K71-D73 VanDerWaalsContact NZ-CG 3.26Å; K71-D73 IonicContact NZ-OD1 3.07Å; K71-D73 PolarHBondContact NZ-OD1 2.75Å; K71-D73 IonicContact NZ-OD2 3.57Å; K71-D73 PolarHBondContact NZ-OD2 2.83Å
72	G	93.1	Very high	91.8	Very high	2 Å²	2	67 Å²	67	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.6	170.4	0	0	0	0	0	108.8	D58 V59 Y70	D58-G72 CarbonylContact C-O 3.57Å; D58-G72 VanDerWaalsContact CA-O 3.32Å; D58-G72 WeakPolarHBondContact CA-O 3.5Å; V59-G72 PolarHBondContact N-O 3.47Å; V59-G72 PolarHBondContact O-N 2.97Å; Y70-G72 WeakPolarHBondContact OH-CA 3.32Å; Y70-G72 PolarHBondContact OH-N 3.42Å
73	D	92.3	Very high	91.5	Very high	95 Å²	95	68.9 Å²	68.9	51%	0.508	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.5	173.7	-65.7	-48.8	0	0	0	108.2	D58 K71	D58-D73 WeakPolarHBondContact OD1-CA 3.17Å; K71-D73 VanDerWaalsContact CE-OD1 3.22Å; K71-D73 WeakPolarHBondContact CE-OD1 3.4Å; K71-D73 VanDerWaalsContact NZ-CG 3.26Å; K71-D73 IonicContact NZ-OD1 3.07Å; K71-D73 PolarHBondContact NZ-OD1 2.75Å; K71-D73 IonicContact NZ-OD2 3.57Å; K71-D73 PolarHBondContact NZ-OD2 2.83Å
74	R	89.6	Confident	91.4	Very high	160 Å²	160	68.8 Å²	68.8	60%	0.604	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57	52	177.2	-52.7	-176.5	66	-167.8	-3.1	116.1	D56 I57 D58	D56-R74 HydrophobicContact CB-CB 4.08Å; D56-R74 IonicContact OD2-CZ 3.28Å; D56-R74 IonicContact OD2-NE 3.92Å; D56-R74 PolarHBondContact OD2-NE 2.94Å; D56-R74 IonicContact OD2-NH2 3.87Å; D56-R74 PolarHBondContact OD2-NH2 3.02Å; D56-R74 VanDerWaalsContact OD2-NH2 3.07Å; I57-R74 PolarHBondContact O-N 3.34Å; D58-R74 PolarHBondContact OD1-N 3.15Å
75	E	92.1	Very high	91.2	Very high	44 Å²	44	70.7 Å²	70.7	21%	0.206	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	138.8	175.4	-63	-165.6	175.8	0	0	111.9	F47 D56 I57 Y70 Y80	F47-E75 HydrophobicContact CE2-CB 4.14Å; F47-E75 HydrophobicContact CZ-CB 3.8Å; D56-E75 CarbonylContact C-O 3.48Å; D56-E75 WeakPolarHBondContact CA-O 3.34Å; I57-E75 PolarHBondContact N-O 2.76Å; I57-E75 PolarHBondContact O-N 3.15Å; Y70-E75 PolarHBondContact OH-OE1 2.84Å; Y70-E75 PolarHBondContact OH-OE2 2.89Å; Y70-E75 VanDerWaalsContact OH-OE2 3.07Å; E75-Y80 PolarHBondContact OE1-OH 2.85Å; E75-Y80 WeakPolarHBondContact OE2-CE2 3.46Å; E75-Y80 PolarHBondContact OE2-OH 2.95Å
76	S	91.4	Very high	91.1	Very high	67 Å²	67	70.4 Å²	70.4	47%	0.469	38%	0.376	S	S	.	.	S	Bend	trans	-86.6	-32.6	176.3	57.2	0	0	0	0	112.9	V49 L55	V49-S76 WeakPolarHBondContact CG2-O 3.11Å; V49-S76 PolarHBondContact N-O 2.65Å; L55-S76 WeakPolarHBondContact O-CA 3.33Å; L55-S76 WeakPolarHBondContact O-CB 3.41Å
77	S	93.1	Very high	91.2	Very high	65 Å²	65	72.5 Å²	72.5	46%	0.455	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	154.8	177.2	56.9	0	0	0	0	109.8	F47	F47-S77 WeakPolarHBondContact O-CA 3.1Å; F47-S77 WeakPolarHBondContact O-CB 3.29Å
78	G	88.6	Confident	91.3	Very high	19 Å²	19	66.4 Å²	66.4	20%	0.196	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	153.2	-178.3	0	0	0	0	0	112.7	M46 F47	M46-G78 WeakPolarHBondContact CA-O 3.39Å; F47-G78 PolarHBondContact N-O 3.32Å; F47-G78 PolarHBondContact O-N 3.23Å
79	K	91.3	Very high	91.4	Very high	126 Å²	126	64.7 Å²	64.7	55%	0.548	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.3	170.2	174.6	171.5	178.3	174.1	0	108.5	L45 M46	L45-K79 CarbonylContact O-C 3.5Å; L45-K79 WeakPolarHBondContact O-CA 3.1Å; M46-K79 HydrophobicContact CE-CD 3.87Å; M46-K79 VanDerWaalsContact CE-CE 3.48Å; M46-K79 HydrophobicContact CE-CG 4.39Å; M46-K79 HydrophobicContact CG-CB 4.22Å; M46-K79 HydrophobicContact CG-CD 4.19Å; M46-K79 HydrophobicContact CG-CG 3.9Å; M46-K79 HydrophobicContact SD-CD 3.81Å; M46-K79 HydrophobicContact SD-CG 4.2Å
80	Y	89.9	Confident	91.5	Very high	64 Å²	64	62.3 Å²	62.3	25%	0.251	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.2	-178.6	-66.7	-72.1	0	0	0	109.4	G44 L45 F47 Y70 E75	G44-Y80 CarbonylContact C-O 3.6Å; G44-Y80 VanDerWaalsContact CA-O 3.31Å; G44-Y80 WeakPolarHBondContact CA-O 3.25Å; L45-Y80 PolarHBondContact N-O 3.35Å; L45-Y80 PolarHBondContact O-N 3.48Å; F47-Y80 HydrophobicContact CE1-CD2 4.05Å; F47-Y80 AromaticContact CE1-CE2 3.78Å; F47-Y80 HydrophobicContact CE1-CE2 3.78Å; F47-Y80 HydrophobicContact CZ-CE2 4.44Å; Y70-Y80 HydrophobicContact CD1-CD2 4.49Å; Y70-Y80 HydrophobicContact CD1-CG 4.48Å; Y70-Y80 HydrophobicContact CD2-CD1 4.06Å; Y70-Y80 HydrophobicContact CD2-CE1 4.01Å; Y70-Y80 HydrophobicContact CE1-CD1 4.37Å; Y70-Y80 AromaticContact CE1-CD2 3.97Å; Y70-Y80 HydrophobicContact CE1-CD2 3.97Å; Y70-Y80 HydrophobicContact CE1-CE1 4.19Å; Y70-Y80 AromaticContact CE1-CE2 3.73Å; Y70-Y80 HydrophobicContact CE1-CE2 3.73Å; Y70-Y80 HydrophobicContact CE1-CG 4.29Å; Y70-Y80 AromaticContact CE1-CZ 3.88Å; Y70-Y80 AromaticContact CE2-CD1 3.82Å; Y70-Y80 HydrophobicContact CE2-CD1 3.82Å; Y70-Y80 AromaticContact CE2-CE1 3.3Å; Y70-Y80 HydrophobicContact CE2-CE1 3.3Å; Y70-Y80 HydrophobicContact CE2-CE2 4.29Å; Y70-Y80 AromaticContact CE2-CZ 3.6Å; Y70-Y80 HydrophobicContact CG-CD1 4.46Å; Y70-Y80 AromaticContact CZ-CE1 3.44Å; Y70-Y80 VanDerWaalsContact CZ-CE1 3.44Å; Y70-Y80 AromaticContact CZ-CE2 3.54Å; Y70-Y80 AromaticContact CZ-CZ 3.19Å; Y70-Y80 WeakPolarHBondContact OH-CE2 3.18Å; Y70-Y80 PolarHBondContact OH-OH 3.39Å; E75-Y80 PolarHBondContact OE1-OH 2.85Å; E75-Y80 WeakPolarHBondContact OE2-CE2 3.46Å; E75-Y80 PolarHBondContact OE2-OH 2.95Å
81	S	88.5	Confident	91.6	Very high	88 Å²	88	62.8 Å²	62.8	62%	0.615	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.1	171.6	-174.5	0	0	0	0	109.7	M43	M43-S81 CarbonylContact O-C 3.55Å; M43-S81 WeakPolarHBondContact O-CA 3.27Å; M43-S81 PolarHBondContact O-OG 3.41Å
82	V	87.8	Confident	91.6	Very high	45 Å²	45	57.8 Å²	57.8	27%	0.273	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	140.3	-178	65.3	0	0	0	0	110	M43 I69	M43-V82 HydrophobicContact CE-CG1 4.19Å; M43-V82 PolarHBondContact N-O 2.89Å; M43-V82 PolarHBondContact O-N 3.46Å; I69-V82 HydrophobicContact CG2-CB 4.37Å; I69-V82 HydrophobicContact CG2-CG1 4.23Å; I69-V82 HydrophobicContact CG2-CG2 3.72Å
83	A	89.7	Confident	91.8	Very high	54 Å²	54	57.9 Å²	57.9	45%	0.446	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	136.9	171.9	0	0	0	0	0	110.1	T41 H85	T41-A83 WeakPolarHBondContact O-CA 3.38Å; A83-H85 PolarHBondContact O-N 3.07Å
84	A	91.4	Very high	91.9	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.033	29%	0.29	C	S	.	.			trans	-60.8	121.5	174.8	0	0	0	0	0	110.3	V37 N38 G40 T41 M43 Y90	V37-A84 HydrophobicContact CG2-CB 3.66Å; N38-A84 WeakPolarHBondContact O-CB 3.18Å; G40-A84 PolarHBondContact N-O 3.14Å; T41-A84 WeakPolarHBondContact O-CB 3.23Å; T41-A84 PolarHBondContact O-N 2.77Å; M43-A84 HydrophobicContact CE-CB 3.95Å; A84-Y90 VanDerWaalsContact CA-OH 3.23Å; A84-Y90 WeakPolarHBondContact CA-OH 3.49Å; A84-Y90 HydrophobicContact CB-CE2 3.89Å; A84-Y90 WeakPolarHBondContact CB-OH 3.31Å
85	H	89.9	Confident	92.1	Very high	88 Å²	88	46.3 Å²	46.3	41%	0.407	27%	0.265	S	S	.	.	S	Bend	trans	-79.2	-21.9	179	62.7	-76.9	0	0	0	113.1	S39 D65 A83 Y90	S39-H85 PolarHBondContact OG-O 2.66Å; D65-H85 VanDerWaalsContact CG-NE2 3.31Å; D65-H85 IonicContact OD1-CE1 2.81Å; D65-H85 IonicContact OD1-NE2 2.79Å; D65-H85 PolarHBondContact OD1-NE2 2.81Å; D65-H85 IonicContact OD2-CD2 2.89Å; D65-H85 IonicContact OD2-CE1 2.87Å; D65-H85 IonicContact OD2-NE2 3.44Å; D65-H85 PolarHBondContact OD2-NE2 3.43Å; A83-H85 PolarHBondContact O-N 3.07Å; H85-Y90 PolarHBondContact N-OH 3.33Å; H85-Y90 AromaticContact ND1-CE1 3.82Å; H85-Y90 AromaticContact ND1-CZ 3.94Å; H85-Y90 PolarHBondContact ND1-OH 3.44Å
86	M	90	Very high	92	Very high	72 Å²	72	44.2 Å²	44.2	36%	0.355	26%	0.256	S	S	.	.	S	Bend	trans	-153.5	158.6	179	64.1	-174	-72	0	0	111.2	P64 D65 Y90	P64-M86 HydrophobicContact CG-CE 4.1Å; P64-M86 HydrophobicContact CG-CG 3.47Å; P64-M86 VanDerWaalsContact CG-CG 3.47Å; P64-M86 HydrophobicContact CG-SD 3.81Å; D65-M86 HydrophobicContact CB-CE 4.49Å; D65-M86 HydrophobicContact CB-SD 3.71Å; M86-Y90 PolarHBondContact N-OH 2.91Å; M86-Y90 WeakPolarHBondContact O-CE2 3.31Å; M86-Y90 PolarHBondContact O-OH 3.29Å
87	D	92.2	Very high	91.5	Very high	101 Å²	101	46.4 Å²	46.4	54%	0.54	26%	0.257	S	S	.	.	S	Bend	trans	-65.1	131.4	174	-62.2	-0.3	0	0	0	110.1	S39	S39-D87 WeakPolarHBondContact CA-OD1 3.25Å; S39-D87 WeakPolarHBondContact CB-OD1 2.98Å; S39-D87 PolarHBondContact N-OD1 2.97Å
88	G	93.2	Very high	90.4	Very high	9 Å²	9	50.6 Å²	50.6	9%	0.093	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.1	-167	173.9	0	0	0	0	0	113.9	R36 V37	R36-G88 WeakPolarHBondContact CA-O 3.36Å; V37-G88 PolarHBondContact N-O 3.21Å; V37-G88 PolarHBondContact O-N 2.92Å
89	T	94.8	Very high	89.4	Confident	53 Å²	53	50.3 Å²	50.3	33%	0.325	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119	179.2	-58.2	0	0	0	0	110.2	Y34 E35 P64	Y34-T89 HydrophobicContact CD1-CG2 3.92Å; Y34-T89 HydrophobicContact CG-CG2 4.31Å; E35-T89 CarbonylContact O-C 3.52Å; E35-T89 WeakPolarHBondContact O-CA 3.19Å; P64-T89 WeakPolarHBondContact CA-O 3.5Å; P64-T89 WeakPolarHBondContact CB-O 3.38Å
90	Y	95	Very high	88	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	144.3	172.6	-70.9	-107.1	0	0	0	109.1	Y34 E35 V37 M43 P64 I69 A84 H85 M86	Y34-Y90 WeakPolarHBondContact CA-O 3.1Å; E35-Y90 PolarHBondContact N-O 3.25Å; E35-Y90 PolarHBondContact O-N 3.33Å; V37-Y90 HydrophobicContact CG2-CD2 3.35Å; V37-Y90 HydrophobicContact CG2-CE2 3.37Å; V37-Y90 HydrophobicContact CG2-CG 4.34Å; M43-Y90 HydrophobicContact CE-CD1 3.39Å; M43-Y90 HydrophobicContact CE-CD2 4.01Å; M43-Y90 HydrophobicContact CE-CE1 3.53Å; M43-Y90 HydrophobicContact CE-CE2 4.16Å; M43-Y90 HydrophobicContact CE-CG 3.65Å; M43-Y90 HydrophobicContact SD-CD1 4.16Å; M43-Y90 HydrophobicContact SD-CD2 4.05Å; M43-Y90 HydrophobicContact SD-CG 3.8Å; P64-Y90 HydrophobicContact CG-CE2 4.11Å; I69-Y90 HydrophobicContact CD1-CD1 3.54Å; I69-Y90 HydrophobicContact CD1-CE1 3.4Å; I69-Y90 VanDerWaalsContact CD1-CE1 3.4Å; A84-Y90 VanDerWaalsContact CA-OH 3.23Å; A84-Y90 WeakPolarHBondContact CA-OH 3.49Å; A84-Y90 HydrophobicContact CB-CE2 3.89Å; A84-Y90 WeakPolarHBondContact CB-OH 3.31Å; H85-Y90 PolarHBondContact N-OH 3.33Å; H85-Y90 AromaticContact ND1-CE1 3.82Å; H85-Y90 AromaticContact ND1-CZ 3.94Å; H85-Y90 PolarHBondContact ND1-OH 3.44Å; M86-Y90 PolarHBondContact N-OH 2.91Å; M86-Y90 WeakPolarHBondContact O-CE2 3.31Å; M86-Y90 PolarHBondContact O-OH 3.29Å
91	K	95.3	Very high	87.2	Confident	56 Å²	56	54.3 Å²	54.3	24%	0.243	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.8	-175.9	-175	-175.3	67.1	158.8	0	109.6	C32 F33 Y34 I61 T62 C93	C32-K91 HydrophobicContact CB-CD 4.28Å; C32-K91 HydrophobicContact CB-CG 4.07Å; F33-K91 CarbonylContact O-C 3.58Å; F33-K91 WeakPolarHBondContact O-CA 3.2Å; Y34-K91 HydrophobicContact CD1-CB 4.06Å; Y34-K91 HydrophobicContact CD1-CG 3.99Å; Y34-K91 HydrophobicContact CE1-CB 3.96Å; Y34-K91 HydrophobicContact CE1-CD 3.67Å; Y34-K91 HydrophobicContact CE1-CG 3.51Å; I61-K91 CarbonylContact C-O 3.53Å; I61-K91 WeakPolarHBondContact CA-O 3.38Å; T62-K91 PolarHBondContact N-O 2.84Å; T62-K91 PolarHBondContact O-N 2.91Å; T62-K91 VanDerWaalsContact OG1-CE 3.29Å; T62-K91 WeakPolarHBondContact OG1-CE 3.43Å; K91-C93 WeakPolarHBondContact CD-SG 3.39Å; K91-C93 WeakPolarHBondContact CE-SG 3.4Å; K91-C93 VanDerWaalsContact CG-SG 3.53Å
92	F	95.4	Very high	87	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.9	175.8	-59.4	-95	0	0	0	108.5	C32 F33 E35 M43 L45 I61 I110	C32-F92 CarbonylContact C-O 3.52Å; C32-F92 VanDerWaalsContact CA-O 3.29Å; C32-F92 WeakPolarHBondContact CA-O 3.38Å; F33-F92 PolarHBondContact N-O 3.3Å; F33-F92 PolarHBondContact O-N 2.84Å; E35-F92 HydrophobicContact CB-CE2 4.3Å; M43-F92 HydrophobicContact CB-CZ 4.42Å; M43-F92 HydrophobicContact SD-CZ 4.11Å; L45-F92 HydrophobicContact CB-CD1 4.31Å; L45-F92 HydrophobicContact CB-CE1 4.24Å; L45-F92 HydrophobicContact CD1-CD1 4.26Å; L45-F92 HydrophobicContact CD2-CD1 4.16Å; L45-F92 HydrophobicContact CG-CD1 4.47Å; I61-F92 HydrophobicContact CB-CD1 4.5Å; I61-F92 HydrophobicContact CD1-CD1 3.97Å; I61-F92 HydrophobicContact CD1-CE1 3.93Å; I61-F92 HydrophobicContact CG1-CD1 3.8Å; I61-F92 HydrophobicContact CG1-CE1 4.16Å; I61-F92 HydrophobicContact CG2-CD1 4.06Å; I61-F92 HydrophobicContact CG2-CE1 3.9Å; I61-F92 HydrophobicContact CG2-CZ 4.45Å; F92-I110 HydrophobicContact CB-CD1 4.3Å; F92-I110 HydrophobicContact CD2-CD1 3.99Å; F92-I110 HydrophobicContact CE2-CG2 4.23Å; F92-I110 HydrophobicContact CG-CD1 4.11Å; F92-I110 HydrophobicContact CZ-CG2 4.27Å
93	C	95.3	Very high	87	Confident	4 Å²	4	54 Å²	54	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.3	-176.8	-64.3	0	0	0	0	111.8	E31 C32 V59 E60 K91	E31-C93 CarbonylContact O-C 3.53Å; E31-C93 WeakPolarHBondContact O-CA 3.22Å; C32-C93 HydrophobicContact CB-CB 4.17Å; C32-C93 WeakPolarHBondContact CB-SG 3.38Å; C32-C93 WeakPolarHBondContact SG-CB 3.36Å; C32-C93 CovalentContact SG-SG 2.05Å; C32-C93 PolarHBondContact SG-SG 3.3Å; V59-C93 WeakPolarHBondContact CA-O 3.45Å; E60-C93 HydrophobicContact CB-CB 4.49Å; E60-C93 PolarHBondContact N-O 3.3Å; E60-C93 PolarHBondContact O-N 3.31Å; K91-C93 WeakPolarHBondContact CD-SG 3.39Å; K91-C93 WeakPolarHBondContact CE-SG 3.4Å; K91-C93 VanDerWaalsContact CG-SG 3.53Å
94	F	95.3	Very high	87	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.1	169.4	-61	-80.5	0	0	0	108.8	I25 E30 E31 F33 L45 F47 I57 D58 V59 V106 F108	I25-F94 HydrophobicContact CD1-CB 3.82Å; I25-F94 HydrophobicContact CG1-CB 4.14Å; E30-F94 CarbonylContact C-O 3.49Å; E30-F94 VanDerWaalsContact CA-O 3.27Å; E30-F94 WeakPolarHBondContact CA-O 3.11Å; E31-F94 PolarHBondContact N-O 2.92Å; E31-F94 PolarHBondContact O-N 2.05Å; F33-F94 HydrophobicContact CD2-CD2 4.19Å; F33-F94 HydrophobicContact CD2-CE2 4.1Å; F33-F94 HydrophobicContact CE2-CD2 4.01Å; F33-F94 HydrophobicContact CE2-CE2 4.12Å; L45-F94 HydrophobicContact CD1-CZ 4.13Å; F47-F94 HydrophobicContact CB-CE1 3.87Å; F47-F94 HydrophobicContact CB-CZ 4.16Å; F47-F94 HydrophobicContact CD1-CE1 4.4Å; F47-F94 HydrophobicContact CD2-CE1 4.34Å; F47-F94 AromaticContact CG-CE1 3.95Å; F47-F94 HydrophobicContact CG-CE1 3.95Å; I57-F94 HydrophobicContact CG1-CB 4.17Å; I57-F94 HydrophobicContact CG1-CD1 4.44Å; I57-F94 HydrophobicContact CG2-CD1 4.39Å; D58-F94 WeakPolarHBondContact O-CA 3.45Å; V59-F94 HydrophobicContact CG1-CE1 4.28Å; V59-F94 HydrophobicContact CG2-CD1 3.82Å; V59-F94 HydrophobicContact CG2-CE1 3.92Å; F94-V106 HydrophobicContact CD1-CG1 4.14Å; F94-V106 HydrophobicContact CE1-CG1 4.01Å; F94-V106 HydrophobicContact CZ-CG1 4.44Å; F94-F108 HydrophobicContact CE2-CB 4.27Å; F94-F108 HydrophobicContact CE2-CD1 4.05Å; F94-F108 HydrophobicContact CE2-CD2 4.13Å; F94-F108 HydrophobicContact CE2-CE1 4.5Å; F94-F108 AromaticContact CE2-CG 3.87Å; F94-F108 HydrophobicContact CE2-CG 3.87Å; F94-F108 HydrophobicContact CZ-CB 3.78Å; F94-F108 HydrophobicContact CZ-CD1 4.38Å; F94-F108 HydrophobicContact CZ-CD2 4.32Å; F94-F108 AromaticContact CZ-CG 3.9Å; F94-F108 HydrophobicContact CZ-CG 3.9Å
95	S	93.4	Very high	87	Confident	11 Å²	11	54.1 Å²	54.1	8%	0.077	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.9	-172.9	155.9	0	0	0	0	111	I57 D58 K97	I57-S95 WeakPolarHBondContact CD1-O 3.44Å; D58-S95 PolarHBondContact N-O 2.95Å; D58-S95 PolarHBondContact O-N 2.94Å; S95-K97 VanDerWaalsContact OG-CD 3.23Å; S95-K97 WeakPolarHBondContact OG-CD 3.15Å; S95-K97 WeakPolarHBondContact OG-CE 3.21Å; S95-K97 VanDerWaalsContact OG-CG 3.25Å; S95-K97 WeakPolarHBondContact OG-CG 3.43Å
96	N	91	Very high	87.1	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.266	C	S	.	.			trans	-111.4	47.8	177	-170.8	21.6	0	0	0	111.7	I25 D26 H28 A29 I57 M98 S99 K104	I25-N96 HydrophobicContact CB-CB 4.32Å; I25-N96 HydrophobicContact CG2-CB 3.66Å; I25-N96 PolarHBondContact O-ND2 3.4Å; D26-N96 WeakPolarHBondContact O-CB 3.5Å; D26-N96 PolarHBondContact O-ND2 3.33Å; D26-N96 VanDerWaalsContact O-ND2 3.16Å; H28-N96 VanDerWaalsContact CA-O 3.3Å; H28-N96 WeakPolarHBondContact CA-O 3.37Å; H28-N96 PolarHBondContact N-O 3.22Å; A29-N96 PolarHBondContact O-N 3.15Å; I57-N96 HydrophobicContact CD1-CB 4.09Å; N96-M98 VanDerWaalsContact C-N 3.29Å; N96-M98 PolarHBondContact O-N 3.37Å; N96-S99 WeakPolarHBondContact OD1-CB 3.31Å; N96-S99 PolarHBondContact OD1-OG 2.87Å; N96-K104 WeakPolarHBondContact OD1-CD 3.43Å; N96-K104 VanDerWaalsContact OD1-CE 3.23Å; N96-K104 WeakPolarHBondContact OD1-CE 3.43Å; N96-K104 PolarHBondContact OD1-NZ 2.84Å
97	K	80.2	Confident	87.1	Confident	113 Å²	113	49.8 Å²	49.8	49%	0.491	27%	0.265	S	S	.	.	S	Bend	trans	-67.4	-22.9	-174.6	-78.1	167.6	-171.7	158.9	0	114.5	E30 S95	E30-K97 WeakPolarHBondContact OE2-CE 3.44Å; E30-K97 IonicContact OE2-NZ 2.76Å; E30-K97 PolarHBondContact OE2-NZ 3.16Å; S95-K97 VanDerWaalsContact OG-CD 3.23Å; S95-K97 WeakPolarHBondContact OG-CD 3.15Å; S95-K97 WeakPolarHBondContact OG-CE 3.21Å; S95-K97 VanDerWaalsContact OG-CG 3.25Å; S95-K97 WeakPolarHBondContact OG-CG 3.43Å
98	M	69.6	Low	87.1	Confident	152 Å²	152	45.8 Å²	45.8	75%	0.749	24%	0.243	S	C	*	.	S	Bend	trans	-99.6	-29.9	-173.6	-161.2	74.6	-165.3	0	0	114.3	N96 T100	N96-M98 VanDerWaalsContact C-N 3.29Å; N96-M98 PolarHBondContact O-N 3.37Å; M98-T100 PolarHBondContact O-N 2.87Å; M98-T100 PolarHBondContact O-OG1 2.93Å
99	S	68.6	Low	86.9	Confident	14 Å²	14	48.7 Å²	48.7	10%	0.098	26%	0.259	C	S	.	.			trans	-82.6	125.4	-176	-61.9	0	0	0	0	111.6	A27 N96 K104	A27-S99 WeakPolarHBondContact CB-O 3.48Å; N96-S99 WeakPolarHBondContact OD1-CB 3.31Å; N96-S99 PolarHBondContact OD1-OG 2.87Å; S99-K104 WeakPolarHBondContact OG-CE 3.4Å; S99-K104 PolarHBondContact OG-NZ 2.86Å
100	T	62.1	Low	86.6	Confident	96 Å²	96	47.9 Å²	47.9	59%	0.589	25%	0.252	S	S	*	.			trans	-98.1	-10.8	-158.5	-16.7	0	0	0	0	113.8	M98	M98-T100 PolarHBondContact O-N 2.87Å; M98-T100 PolarHBondContact O-OG1 2.93Å
101	M	73.2	Confident	86.3	Confident	177 Å²	177	50.4 Å²	50.4	87%	0.872	27%	0.266	S	S	*	.	S	Bend	trans	-137.8	-22.4	-167.2	-70.7	-66	-171.1	0	0	116.1
102	T	82.9	Confident	85.9	Confident	65 Å²	65	51.4 Å²	51.4	40%	0.399	27%	0.273	S	S	.	.	S	Bend	trans	-133.1	143.3	-175.9	58.7	0	0	0	0	112.1
103	P	87.5	Confident	85.1	Confident	63 Å²	63	53 Å²	53	41%	0.409	29%	0.29	S	S	.	.			trans	-63.5	154	169	29.3	-34.3	0	0	0	110.3	I25	I25-P103 CarbonylContact O-C 3.58Å; I25-P103 VanDerWaalsContact O-CA 3.25Å; I25-P103 WeakPolarHBondContact O-CA 3.49Å
104	K	90.6	Very high	84.1	Confident	5 Å²	5	60 Å²	60	2%	0.022	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.8	174.1	-69.6	-177.3	176.4	176	0	109.9	S24 I25 E51 D56 I57 N96 S99	S24-K104 CarbonylContact C-O 3.51Å; S24-K104 WeakPolarHBondContact CA-O 3.18Å; I25-K104 PolarHBondContact N-O 3.29Å; I25-K104 PolarHBondContact O-N 2.82Å; E51-K104 WeakPolarHBondContact O-CA 3.12Å; D56-K104 WeakPolarHBondContact O-CD 3.47Å; D56-K104 VanDerWaalsContact O-CE 3.25Å; D56-K104 WeakPolarHBondContact O-CE 3.22Å; D56-K104 PolarHBondContact O-NZ 2.83Å; D56-K104 IonicContact OD1-NZ 2.98Å; D56-K104 PolarHBondContact OD1-NZ 2.82Å; I57-K104 HydrophobicContact CD1-CB 4.49Å; I57-K104 HydrophobicContact CD1-CD 3.84Å; N96-K104 WeakPolarHBondContact OD1-CD 3.43Å; N96-K104 VanDerWaalsContact OD1-CE 3.23Å; N96-K104 WeakPolarHBondContact OD1-CE 3.43Å; N96-K104 PolarHBondContact OD1-NZ 2.84Å; S99-K104 WeakPolarHBondContact OG-CE 3.4Å; S99-K104 PolarHBondContact OG-NZ 2.86Å
105	I	90.6	Very high	82.5	Confident	54 Å²	54	61.6 Å²	61.6	28%	0.277	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	116.9	177.3	-55.8	-179.5	0	0	0	107.7	F22 V23 A50 E51	F22-I105 HydrophobicContact CB-CG2 4.12Å; F22-I105 HydrophobicContact CD1-CG2 3.88Å; F22-I105 HydrophobicContact CG-CG2 4.38Å; V23-I105 WeakPolarHBondContact O-CA 3.45Å; A50-I105 HydrophobicContact CB-CG2 4.26Å; A50-I105 PolarHBondContact N-O 2.9Å; E51-I105 HydrophobicContact CB-CB 4.23Å; E51-I105 HydrophobicContact CB-CD1 4.2Å; E51-I105 HydrophobicContact CB-CG1 4.36Å; E51-I105 PolarHBondContact N-O 3.38Å; E51-I105 PolarHBondContact O-N 2.77Å
106	V	92.4	Very high	80.9	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.3	179.8	-176.3	0	0	0	0	109	F22 V23 I25 F47 V49 I57 F94	F22-V106 WeakPolarHBondContact CA-O 3.41Å; V23-V106 HydrophobicContact CG1-CB 4.1Å; V23-V106 PolarHBondContact N-O 3.3Å; V23-V106 PolarHBondContact O-N 2.83Å; I25-V106 HydrophobicContact CD1-CB 4.08Å; I25-V106 HydrophobicContact CD1-CG2 3.55Å; F47-V106 HydrophobicContact CB-CG1 4.11Å; F47-V106 HydrophobicContact CD2-CG1 4.44Å; V49-V106 HydrophobicContact CG2-CG2 4.31Å; I57-V106 HydrophobicContact CB-CG2 4.42Å; I57-V106 HydrophobicContact CG1-CG2 4.22Å; I57-V106 HydrophobicContact CG2-CG2 4.41Å; F94-V106 HydrophobicContact CD1-CG1 4.14Å; F94-V106 HydrophobicContact CE1-CG1 4.01Å; F94-V106 HydrophobicContact CZ-CG1 4.44Å
107	M	90.8	Very high	79.1	Confident	69 Å²	69	73 Å²	73	34%	0.34	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.3	168.4	-175.1	174	60	0	0	108.1	Y21 F22 F47 E48	Y21-M107 WeakPolarHBondContact O-CA 3.33Å; F22-M107 HydrophobicContact CD1-CB 3.89Å; F22-M107 HydrophobicContact CD1-CG 4.34Å; F22-M107 HydrophobicContact CE1-CB 3.73Å; F22-M107 HydrophobicContact CE1-CG 3.96Å; F22-M107 HydrophobicContact CE1-SD 3.97Å; F22-M107 HydrophobicContact CZ-CG 4.38Å; F22-M107 HydrophobicContact CZ-SD 4Å; F47-M107 CarbonylContact C-O 3.56Å; F47-M107 WeakPolarHBondContact CA-O 3.29Å; E48-M107 HydrophobicContact CB-CE 4.34Å; E48-M107 PolarHBondContact N-O 2.9Å; E48-M107 PolarHBondContact O-N 3.03Å
108	F	91.8	Very high	77.6	Confident	17 Å²	17	70.4 Å²	70.4	8%	0.075	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	157.3	179.2	73.6	-80.6	0	0	0	112.9	Y21 V23 F33 M46 F47 F94 I110	Y21-F108 PolarHBondContact O-N 2.87Å; V23-F108 HydrophobicContact CB-CE1 4Å; V23-F108 HydrophobicContact CG1-CD1 3.87Å; V23-F108 HydrophobicContact CG1-CE1 3.68Å; F33-F108 HydrophobicContact CD1-CE2 4.33Å; F33-F108 AromaticContact CD1-CZ 3.85Å; F33-F108 HydrophobicContact CD1-CZ 3.85Å; F33-F108 HydrophobicContact CD2-CE1 4.36Å; F33-F108 HydrophobicContact CD2-CE2 4Å; F33-F108 AromaticContact CD2-CZ 3.72Å; F33-F108 HydrophobicContact CD2-CZ 3.72Å; F33-F108 HydrophobicContact CE1-CE1 4.25Å; F33-F108 HydrophobicContact CE1-CE2 4.46Å; F33-F108 AromaticContact CE1-CZ 3.56Å; F33-F108 HydrophobicContact CE1-CZ 3.56Å; F33-F108 AromaticContact CE2-CE1 3.67Å; F33-F108 HydrophobicContact CE2-CE1 3.67Å; F33-F108 HydrophobicContact CE2-CE2 4.14Å; F33-F108 AromaticContact CE2-CZ 3.41Å; F33-F108 HydrophobicContact CE2-CZ 3.41Å; F33-F108 VanDerWaalsContact CE2-CZ 3.41Å; F33-F108 HydrophobicContact CG-CE2 4.11Å; F33-F108 AromaticContact CG-CZ 3.94Å; F33-F108 HydrophobicContact CG-CZ 3.94Å; F33-F108 AromaticContact CZ-CE1 3.61Å; F33-F108 HydrophobicContact CZ-CE1 3.61Å; F33-F108 HydrophobicContact CZ-CE2 4.37Å; F33-F108 AromaticContact CZ-CZ 3.33Å; F33-F108 HydrophobicContact CZ-CZ 3.33Å; M46-F108 CarbonylContact O-C 3.53Å; M46-F108 WeakPolarHBondContact O-CA 3.47Å; M46-F108 WeakPolarHBondContact O-CB 3.41Å; F47-F108 HydrophobicContact CB-CB 3.92Å; F94-F108 HydrophobicContact CE2-CB 4.27Å; F94-F108 HydrophobicContact CE2-CD1 4.05Å; F94-F108 HydrophobicContact CE2-CD2 4.13Å; F94-F108 HydrophobicContact CE2-CE1 4.5Å; F94-F108 AromaticContact CE2-CG 3.87Å; F94-F108 HydrophobicContact CE2-CG 3.87Å; F94-F108 HydrophobicContact CZ-CB 3.78Å; F94-F108 HydrophobicContact CZ-CD1 4.38Å; F94-F108 HydrophobicContact CZ-CD2 4.32Å; F94-F108 AromaticContact CZ-CG 3.9Å; F94-F108 HydrophobicContact CZ-CG 3.9Å; F108-I110 HydrophobicContact CD2-CD1 4.21Å; F108-I110 HydrophobicContact CD2-CG1 3.96Å; F108-I110 HydrophobicContact CE2-CD1 3.9Å; F108-I110 HydrophobicContact CE2-CG1 4.07Å
109	T	88.3	Confident	76.3	Confident	70 Å²	70	71.4 Å²	71.4	43%	0.429	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.7	174.1	-53.7	0	0	0	0	108.7	M46	M46-T109 PolarHBondContact N-O 3.03Å; M46-T109 PolarHBondContact O-N 3.05Å
110	I	90	Very high	74.9	Confident	36 Å²	36	77.8 Å²	77.8	19%	0.185	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.1	173.1	-57	173.4	0	0	0	107.4	F33 E35 G44 L45 F92 F108	F33-I110 HydrophobicContact CB-CD1 4.02Å; E35-I110 HydrophobicContact CG-CG2 4.19Å; G44-I110 CarbonylContact O-C 3.59Å; G44-I110 VanDerWaalsContact O-CA 3.31Å; G44-I110 WeakPolarHBondContact O-CA 3.35Å; L45-I110 HydrophobicContact CD1-CG1 3.9Å; F92-I110 HydrophobicContact CB-CD1 4.3Å; F92-I110 HydrophobicContact CD2-CD1 3.99Å; F92-I110 HydrophobicContact CE2-CG2 4.23Å; F92-I110 HydrophobicContact CG-CD1 4.11Å; F92-I110 HydrophobicContact CZ-CG2 4.27Å; F108-I110 HydrophobicContact CD2-CD1 4.21Å; F108-I110 HydrophobicContact CD2-CG1 3.96Å; F108-I110 HydrophobicContact CE2-CD1 3.9Å; F108-I110 HydrophobicContact CE2-CG1 4.07Å
111	D	87.5	Confident	74.1	Confident	54 Å²	54	81.7 Å²	81.7	29%	0.289	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.8	179.2	-63.3	-49.1	0	0	0	109.7	M43 G44	M43-D111 CarbonylContact C-O 3.54Å; M43-D111 WeakPolarHBondContact CA-O 3.25Å; G44-D111 PolarHBondContact N-O 3.34Å; G44-D111 PolarHBondContact O-N 2.82Å
112	I	87.8	Confident	72.6	Confident	76 Å²	76	82.1 Å²	82.1	39%	0.39	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.7	176.5	-56.1	173.7	0	0	0	107.8	E35 V37 T41	E35-I112 HydrophobicContact CB-CD1 4.01Å; E35-I112 HydrophobicContact CG-CD1 3.86Å; E35-I112 WeakPolarHBondContact OE2-CD1 3.45Å; V37-I112 HydrophobicContact CG1-CD1 4.16Å; V37-I112 HydrophobicContact CG1-CG1 4.41Å; V37-I112 HydrophobicContact CG1-CG2 3.75Å; T41-I112 HydrophobicContact CG2-CG2 3.77Å
113	G	79.3	Confident	70.9	Confident	36 Å²	36	84.8 Å²	84.8	37%	0.371	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-72.1	173.6	174.7	0	0	0	0	0	112.7	T41 K42	T41-G113 WeakPolarHBondContact CG2-O 3.5Å; K42-G113 WeakPolarHBondContact O-CA 3.44Å; K42-G113 PolarHBondContact O-N 2.91Å
114	E	73.6	Confident	68.6	Low	152 Å²	152	91.1 Å²	91.1	71%	0.71	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-74.2	133.1	174.7	-157.4	170	171.5	0	0	109.9	K117	E114-K117 VanDerWaalsContact OE1-CE 3.31Å; E114-K117 WeakPolarHBondContact OE1-CE 3.09Å; E114-K117 IonicContact OE1-NZ 2.9Å; E114-K117 PolarHBondContact OE1-NZ 2.91Å
115	A	62.1	Low	66.6	Low	32 Å²	32	95 Å²	95	26%	0.264	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-64.1	141.4	173.7	0	0	0	0	0	109.5	N38 T41 K117	N38-A115 HydrophobicContact CB-CB 4.26Å; T41-A115 WeakPolarHBondContact OG1-CB 3.43Å; A115-K117 PolarHBondContact O-N 3.27Å
116	P	59.7	Low	64.1	Low	85 Å²	85	94.7 Å²	94.7	55%	0.552	54%	0.54	S	S	*	.			trans	-58.9	112.4	170.9	24	-30.2	0	0	0	107.9	G118	P116-G118 PolarHBondContact O-N 3.37Å; P116-G118 VanDerWaalsContact O-N 3.15Å
117	K	52.2	Low	61.8	Low	167 Å²	167	101.4 Å²	101.4	73%	0.726	58%	0.575	S	S	*	*			trans	-59.9	121	169.9	-70.5	175.6	-174.2	152.8	0	105.8	E114 A115 Q119	E114-K117 VanDerWaalsContact OE1-CE 3.31Å; E114-K117 WeakPolarHBondContact OE1-CE 3.09Å; E114-K117 IonicContact OE1-NZ 2.9Å; E114-K117 PolarHBondContact OE1-NZ 2.91Å; A115-K117 PolarHBondContact O-N 3.27Å; K117-Q119 PolarHBondContact O-N 3.46Å
118	G	49.1	Very low	60	Low	59 Å²	59	102.8 Å²	102.8	61%	0.608	59%	0.592	S	S	*	*			trans	-50.1	119.4	174.1	0	0	0	0	0	107.9	P116 D120	P116-G118 PolarHBondContact O-N 3.37Å; P116-G118 VanDerWaalsContact O-N 3.15Å; G118-D120 PolarHBondContact O-N 2.89Å
119	Q	42.4	Very low	58.1	Low	173 Å²	173	111.8 Å²	111.8	81%	0.808	63%	0.625	S	S	*	*			trans	-64	102.4	158.6	-98.3	175.6	-9	0	0	105	K117 M121	K117-Q119 PolarHBondContact O-N 3.46Å; Q119-M121 PolarHBondContact O-N 3.37Å
120	D	39.8	Very low	56.6	Low	147 Å²	147	113.1 Å²	113.1	79%	0.786	63%	0.63	S	S	*	*			trans	-51.6	115.4	166.3	-56.6	-40.3	0	0	0	106.5	G118 E122	G118-D120 PolarHBondContact O-N 2.89Å; D120-E122 PolarHBondContact O-N 2.93Å
121	M	45.4	Very low	55.1	Low	178 Å²	178	114.7 Å²	114.7	88%	0.877	65%	0.648	S	S	*	*			trans	-71.9	73.6	-179.6	-164.7	-178.7	-154.8	0	0	108	Q119 T123	Q119-M121 PolarHBondContact O-N 3.37Å; M121-T123 PolarHBondContact O-N 3.24Å; M121-T123 VanDerWaalsContact O-N 3.11Å
122	E	41.4	Very low	53.8	Low	187 Å²	187	118.8 Å²	118.8	87%	0.874	67%	0.665	S	S	*	*			trans	-70.2	106	166.4	-86.8	-173.8	149.3	0	0	108.2	D120 E124	D120-E122 PolarHBondContact O-N 2.93Å; E122-E124 PolarHBondContact O-N 3.38Å
123	T	45.8	Very low	52.7	Low	121 Å²	121	121 Å²	121	74%	0.742	67%	0.674	S	S	*	*			trans	-80.3	97	177.2	-52.9	0	0	0	0	107.9	M121	M121-T123 PolarHBondContact O-N 3.24Å; M121-T123 VanDerWaalsContact O-N 3.11Å
124	E	41.1	Very low	52.3	Low	195 Å²	195	123.7 Å²	123.7	91%	0.911	68%	0.68	S	S	*	*			trans	-144.8	129.4	154.5	-74.7	-157.3	126.6	0	0	110.5	E122	E122-E124 PolarHBondContact O-N 3.38Å
125	G	46.8	Very low	52.5	Low	87 Å²	87	122.8 Å²	122.8	90%	0.897	67%	0.674	S	S	*	*			trans	-82.4	148.5	-177.8	0	0	0	0	0	113
126	G	39.8	Very low	53.3	Low	48 Å²	48	125.1 Å²	125.1	50%	0.495	68%	0.681	S	S	.	*			trans	163.1	110.5	165.7	0	0	0	0	0	112.7	D130	G126-D130 VanDerWaalsContact O-OD2 3.13Å
127	D	42.2	Very low	54.3	Low	141 Å²	141	126.2 Å²	126.2	75%	0.754	68%	0.679	S	S	*	*			trans	66.4	142	158	-65.9	-25	0	0	0	122.1	W129 D130	D127-W129 PolarHBondContact O-N 2.99Å; D127-D130 PolarHBondContact O-N 3.42Å
128	S	54.4	Low	55.8	Low	98 Å²	98	124.9 Å²	124.9	69%	0.685	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-1.2	-176.1	56.9	0	0	0	0	116.8
129	W	51.7	Low	57.4	Low	205 Å²	205	127 Å²	127	78%	0.777	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-32	-178.5	-66.7	95.1	0	0	0	112.6	D127 H132 Q133	D127-W129 PolarHBondContact O-N 2.99Å; W129-H132 PolarHBondContact O-N 2.93Å; W129-Q133 PolarHBondContact O-N 3.05Å
130	D	57	Low	59.6	Low	98 Å²	98	123.4 Å²	123.4	52%	0.524	66%	0.656	S	S	.	*	H	α-helix	trans	-73.1	-31.7	179.1	-68.9	-35	0	0	0	112.5	G126 D127 H132 Q133 N134	G126-D130 VanDerWaalsContact O-OD2 3.13Å; D127-D130 PolarHBondContact O-N 3.42Å; D130-H132 PolarHBondContact O-N 3.33Å; D130-Q133 PolarHBondContact O-N 3.18Å; D130-N134 WeakPolarHBondContact O-CB 3.42Å; D130-N134 VanDerWaalsContact O-CG 3.28Å; D130-N134 PolarHBondContact O-N 3.25Å; D130-N134 PolarHBondContact O-ND2 3.05Å
131	A	58.4	Low	61.8	Low	69 Å²	69	120.9 Å²	120.9	57%	0.57	64%	0.642	S	S	*	*	H	α-helix	trans	-62.7	-31.1	173.6	0	0	0	0	0	112.7	K135	A131-K135 WeakPolarHBondContact O-CB 3.4Å; A131-K135 PolarHBondContact O-N 3.28Å
132	H	59.4	Low	63.9	Low	141 Å²	141	119.1 Å²	119.1	65%	0.653	63%	0.632	S	S	*	*	H	α-helix	trans	-82.4	-30.4	179	-155.4	-59.5	0	0	0	112.4	W129 D130 L136	W129-H132 PolarHBondContact O-N 2.93Å; D130-H132 PolarHBondContact O-N 3.33Å; H132-L136 PolarHBondContact O-N 2.92Å
133	Q	64.7	Low	66.1	Low	122 Å²	122	116 Å²	116	57%	0.57	62%	0.621	S	S	*	*	H	α-helix	trans	-68.3	-48	170.6	-74.4	-78.1	-59.1	0	0	110.6	W129 D130 K135 L136 E137	W129-Q133 PolarHBondContact O-N 3.05Å; D130-Q133 PolarHBondContact O-N 3.18Å; Q133-K135 VanDerWaalsContact C-N 3.33Å; Q133-K135 PolarHBondContact O-N 3.49Å; Q133-L136 WeakPolarHBondContact O-CB 3.48Å; Q133-L136 PolarHBondContact O-N 3.4Å; Q133-E137 PolarHBondContact O-N 3.29Å
134	N	71.5	Confident	68.2	Low	93 Å²	93	112.4 Å²	112.4	50%	0.497	60%	0.603	S	S	.	*	H	α-helix	trans	-58.5	-42.3	178.3	-74.3	-21.6	0	0	0	112.5	D130 L136 E137 E138	D130-N134 WeakPolarHBondContact O-CB 3.42Å; D130-N134 VanDerWaalsContact O-CG 3.28Å; D130-N134 PolarHBondContact O-N 3.25Å; D130-N134 PolarHBondContact O-ND2 3.05Å; N134-L136 VanDerWaalsContact C-N 3.32Å; N134-L136 PolarHBondContact O-N 3.34Å; N134-E137 PolarHBondContact O-N 2.71Å; N134-E138 WeakPolarHBondContact O-CB 3.25Å; N134-E138 PolarHBondContact O-N 3.39Å
135	K	76.9	Confident	70.5	Confident	132 Å²	132	107.2 Å²	107.2	57%	0.574	59%	0.585	S	S	*	*	H	α-helix	trans	-65.7	-34.3	176.8	-171.1	175.8	-178	-178.9	0	112.8	A131 Q133 M139	A131-K135 WeakPolarHBondContact O-CB 3.4Å; A131-K135 PolarHBondContact O-N 3.28Å; Q133-K135 VanDerWaalsContact C-N 3.33Å; Q133-K135 PolarHBondContact O-N 3.49Å; K135-M139 WeakPolarHBondContact O-CG 3.37Å; K135-M139 PolarHBondContact O-N 3Å
136	L	80	Confident	72.5	Confident	82 Å²	82	105.5 Å²	105.5	43%	0.429	56%	0.562	S	S	.	*	H	α-helix	trans	-70.9	-41.2	176.3	-175.9	64.3	0	0	0	110.8	H132 Q133 N134 M139 I140	H132-L136 PolarHBondContact O-N 2.92Å; Q133-L136 WeakPolarHBondContact O-CB 3.48Å; Q133-L136 PolarHBondContact O-N 3.4Å; N134-L136 VanDerWaalsContact C-N 3.32Å; N134-L136 PolarHBondContact O-N 3.34Å; L136-M139 HydrophobicContact CD1-CE 4.14Å; L136-M139 PolarHBondContact O-N 3.03Å; L136-I140 HydrophobicContact CG-CD1 4.01Å; L136-I140 VanDerWaalsContact O-CG1 3.25Å; L136-I140 WeakPolarHBondContact O-CG1 3.41Å; L136-I140 PolarHBondContact O-N 3.31Å
137	E	80.5	Confident	75	Confident	108 Å²	108	110 Å²	110	51%	0.505	57%	0.572	S	S	.	*	H	α-helix	trans	-66.1	-37.1	178.2	-160.4	160.5	-161.8	0	0	112.1	Q133 N134 I140 N141	Q133-E137 PolarHBondContact O-N 3.29Å; N134-E137 PolarHBondContact O-N 2.71Å; E137-I140 PolarHBondContact O-N 2.97Å; E137-N141 WeakPolarHBondContact O-CB 3.28Å; E137-N141 PolarHBondContact O-N 3.49Å; E137-N141 PolarHBondContact O-ND2 3.47Å
138	E	84	Confident	77.1	Confident	138 Å²	138	107.7 Å²	107.7	65%	0.645	56%	0.563	S	S	*	*	H	α-helix	trans	-62.4	-47.4	171.7	-171.2	175.4	-169.9	0	0	112	N134 I140 N141 E142	N134-E138 WeakPolarHBondContact O-CB 3.25Å; N134-E138 PolarHBondContact O-N 3.39Å; E138-I140 VanDerWaalsContact C-N 3.32Å; E138-I140 PolarHBondContact O-N 2.93Å; E138-N141 PolarHBondContact O-N 2.81Å; E138-E142 PolarHBondContact O-N 3.43Å
139	M	82.3	Confident	78.8	Confident	103 Å²	103	105.8 Å²	105.8	51%	0.507	55%	0.554	S	S	.	*	H	α-helix	trans	-64.8	-35.1	176.3	-70.9	-166.1	-55.4	0	0	112.8	K135 L136 L143	K135-M139 WeakPolarHBondContact O-CG 3.37Å; K135-M139 PolarHBondContact O-N 3Å; L136-M139 HydrophobicContact CD1-CE 4.14Å; L136-M139 PolarHBondContact O-N 3.03Å; M139-L143 WeakPolarHBondContact O-CB 3.31Å; M139-L143 PolarHBondContact O-N 3.4Å
140	I	87.7	Confident	80.7	Confident	99 Å²	99	99.6 Å²	99.6	51%	0.508	54%	0.538	S	S	.	.	H	α-helix	trans	-66	-42.9	175.1	-72.4	166.8	0	0	0	110.3	L136 E137 E138 L143 A144	L136-I140 HydrophobicContact CG-CD1 4.01Å; L136-I140 VanDerWaalsContact O-CG1 3.25Å; L136-I140 WeakPolarHBondContact O-CG1 3.41Å; L136-I140 PolarHBondContact O-N 3.31Å; E137-I140 PolarHBondContact O-N 2.97Å; E138-I140 VanDerWaalsContact C-N 3.32Å; E138-I140 PolarHBondContact O-N 2.93Å; I140-L143 PolarHBondContact O-N 3.48Å; I140-A144 VanDerWaalsContact O-CB 3.31Å; I140-A144 WeakPolarHBondContact O-CB 3.47Å; I140-A144 PolarHBondContact O-N 3.04Å
141	N	86.8	Confident	82.2	Confident	93 Å²	93	101.7 Å²	101.7	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-65.5	-42.1	176.5	-84.2	-36.7	0	0	0	111.9	E137 E138 L143 A144 V145	E137-N141 WeakPolarHBondContact O-CB 3.28Å; E137-N141 PolarHBondContact O-N 3.49Å; E137-N141 PolarHBondContact O-ND2 3.47Å; E138-N141 PolarHBondContact O-N 2.81Å; N141-L143 VanDerWaalsContact C-N 3.33Å; N141-L143 PolarHBondContact O-N 2.84Å; N141-A144 PolarHBondContact O-N 3.39Å; N141-V145 VanDerWaalsContact O-CG2 3.29Å; N141-V145 WeakPolarHBondContact O-CG2 3.44Å; N141-V145 PolarHBondContact O-N 3.44Å
142	E	88.9	Confident	83.6	Confident	141 Å²	141	102.8 Å²	102.8	66%	0.659	54%	0.536	S	S	*	.	H	α-helix	trans	-60.1	-45.1	175.1	-170	-177.4	177.3	0	0	111.2	E138 V145 A146	E138-E142 PolarHBondContact O-N 3.43Å; E142-V145 PolarHBondContact O-N 2.93Å; E142-A146 WeakPolarHBondContact O-CB 3.37Å; E142-A146 PolarHBondContact O-N 3.48Å
143	L	88.6	Confident	84.8	Confident	123 Å²	123	101.6 Å²	101.6	64%	0.644	53%	0.531	S	S	*	.	H	α-helix	trans	-64.8	-40.5	176.6	-174.5	66.7	0	0	0	112	M139 I140 N141 A146 M147	M139-L143 WeakPolarHBondContact O-CB 3.31Å; M139-L143 PolarHBondContact O-N 3.4Å; I140-L143 PolarHBondContact O-N 3.48Å; N141-L143 VanDerWaalsContact C-N 3.33Å; N141-L143 PolarHBondContact O-N 2.84Å; L143-A146 PolarHBondContact O-N 2.96Å; L143-M147 VanDerWaalsContact O-CB 3.25Å; L143-M147 WeakPolarHBondContact O-CB 3.34Å; L143-M147 PolarHBondContact O-N 3.32Å
144	A	89.7	Confident	85.9	Confident	45 Å²	45	101.3 Å²	101.3	37%	0.372	53%	0.529	S	S	.	.	H	α-helix	trans	-63.6	-41.5	177.4	0	0	0	0	0	111.5	I140 N141 M147 T148	I140-A144 VanDerWaalsContact O-CB 3.31Å; I140-A144 WeakPolarHBondContact O-CB 3.47Å; I140-A144 PolarHBondContact O-N 3.04Å; N141-A144 PolarHBondContact O-N 3.39Å; A144-M147 PolarHBondContact O-N 2.91Å; A144-T148 WeakPolarHBondContact O-CB 3.33Å; A144-T148 PolarHBondContact O-N 3.22Å; A144-T148 PolarHBondContact O-OG1 2.88Å
145	V	89	Confident	86.7	Confident	86 Å²	86	102 Å²	102	52%	0.521	53%	0.53	S	S	.	.	H	α-helix	trans	-64.8	-46	174.6	171.7	0	0	0	0	110.7	N141 E142 M147 T148 A149	N141-V145 VanDerWaalsContact O-CG2 3.29Å; N141-V145 WeakPolarHBondContact O-CG2 3.44Å; N141-V145 PolarHBondContact O-N 3.44Å; E142-V145 PolarHBondContact O-N 2.93Å; V145-M147 PolarHBondContact O-N 3.17Å; V145-T148 PolarHBondContact O-N 3.39Å; V145-A149 PolarHBondContact O-N 3.02Å
146	A	89.9	Confident	87.1	Confident	51 Å²	51	102.1 Å²	102.1	42%	0.421	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-42.7	177.5	0	0	0	0	0	112.1	E142 L143 A149 V150	E142-A146 WeakPolarHBondContact O-CB 3.37Å; E142-A146 PolarHBondContact O-N 3.48Å; L143-A146 PolarHBondContact O-N 2.96Å; A146-A149 WeakPolarHBondContact O-CB 3.4Å; A146-A149 PolarHBondContact O-N 3.38Å; A146-V150 WeakPolarHBondContact O-CG2 3.39Å; A146-V150 PolarHBondContact O-N 3.3Å
147	M	90.4	Very high	87.2	Confident	141 Å²	141	103.9 Å²	103.9	70%	0.695	54%	0.535	S	S	*	.	H	α-helix	trans	-65.7	-38.7	177.6	-174	171.7	-177.1	0	0	111.9	L143 A144 V145 A149 V150 K151	L143-M147 VanDerWaalsContact O-CB 3.25Å; L143-M147 WeakPolarHBondContact O-CB 3.34Å; L143-M147 PolarHBondContact O-N 3.32Å; A144-M147 PolarHBondContact O-N 2.91Å; V145-M147 PolarHBondContact O-N 3.17Å; M147-A149 VanDerWaalsContact C-N 3.34Å; M147-V150 PolarHBondContact O-N 3.49Å; M147-K151 WeakPolarHBondContact O-CB 3.42Å; M147-K151 PolarHBondContact O-N 2.98Å
148	T	88.1	Confident	87.8	Confident	94 Å²	94	103.7 Å²	103.7	58%	0.577	53%	0.534	S	S	*	.	H	α-helix	trans	-65	-40.4	175.5	-55.6	0	0	0	0	111	A144 V145 K151 H152	A144-T148 WeakPolarHBondContact O-CB 3.33Å; A144-T148 PolarHBondContact O-N 3.22Å; A144-T148 PolarHBondContact O-OG1 2.88Å; V145-T148 PolarHBondContact O-N 3.39Å; T148-K151 PolarHBondContact O-N 2.92Å; T148-H152 PolarHBondContact O-N 3.29Å
149	A	88.8	Confident	88	Confident	58 Å²	58	100.1 Å²	100.1	48%	0.479	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-46	174.7	0	0	0	0	0	112.2	V145 A146 M147 K151 H152 E153	V145-A149 PolarHBondContact O-N 3.02Å; A146-A149 WeakPolarHBondContact O-CB 3.4Å; A146-A149 PolarHBondContact O-N 3.38Å; M147-A149 VanDerWaalsContact C-N 3.34Å; A149-K151 PolarHBondContact O-N 3.17Å; A149-H152 PolarHBondContact O-N 3.44Å; A149-E153 PolarHBondContact O-N 2.91Å
150	V	92.1	Very high	88.5	Confident	75 Å²	75	101.3 Å²	101.3	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-62.5	-42.7	176.5	172.2	0	0	0	0	111.5	A146 M147 H152 E153 Q154	A146-V150 WeakPolarHBondContact O-CG2 3.39Å; A146-V150 PolarHBondContact O-N 3.3Å; M147-V150 PolarHBondContact O-N 3.49Å; V150-H152 VanDerWaalsContact C-N 3.28Å; V150-H152 PolarHBondContact O-N 3.34Å; V150-E153 PolarHBondContact O-N 3.48Å; V150-Q154 HydrophobicContact CG1-CG 4.44Å; V150-Q154 WeakPolarHBondContact O-CG 3.4Å; V150-Q154 PolarHBondContact O-N 3.39Å
151	K	89.6	Confident	88.5	Confident	141 Å²	141	102.2 Å²	102.2	61%	0.613	52%	0.522	S	S	*	.	H	α-helix	trans	-59.6	-42.5	177.5	-176.5	177.8	178.5	-178.9	0	111.3	M147 T148 A149 Q154 E155	M147-K151 WeakPolarHBondContact O-CB 3.42Å; M147-K151 PolarHBondContact O-N 2.98Å; T148-K151 PolarHBondContact O-N 2.92Å; A149-K151 PolarHBondContact O-N 3.17Å; K151-Q154 PolarHBondContact O-N 3.19Å; K151-E155 PolarHBondContact O-N 2.79Å
152	H	87.8	Confident	88.6	Confident	93 Å²	93	105.5 Å²	105.5	43%	0.431	53%	0.528	S	S	.	.	H	α-helix	trans	-66.3	-38.3	178.3	-166	63.4	0	0	0	112.2	T148 A149 V150 E155 Y156	T148-H152 PolarHBondContact O-N 3.29Å; A149-H152 PolarHBondContact O-N 3.44Å; V150-H152 VanDerWaalsContact C-N 3.28Å; V150-H152 PolarHBondContact O-N 3.34Å; H152-E155 PolarHBondContact O-N 2.93Å; H152-Y156 PolarHBondContact O-N 3.39Å
153	E	84.2	Confident	88.5	Confident	116 Å²	116	103.5 Å²	103.5	54%	0.542	52%	0.52	S	S	.	.	H	α-helix	trans	-65.5	-39.9	172.6	-76.6	-168	155.7	0	0	113.1	A149 V150 Y156 M157	A149-E153 PolarHBondContact O-N 2.91Å; V150-E153 PolarHBondContact O-N 3.48Å; E153-Y156 PolarHBondContact O-N 3.37Å; E153-M157 WeakPolarHBondContact O-CB 3.42Å; E153-M157 VanDerWaalsContact O-CG 3.28Å; E153-M157 WeakPolarHBondContact O-CG 3.39Å; E153-M157 PolarHBondContact O-N 3.17Å
154	Q	86.9	Confident	88.3	Confident	115 Å²	115	103 Å²	103	54%	0.537	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-44.6	175.3	-75	-178.9	-15	0	0	111.2	V150 K151 Y156 M157 E158	V150-Q154 HydrophobicContact CG1-CG 4.44Å; V150-Q154 WeakPolarHBondContact O-CG 3.4Å; V150-Q154 PolarHBondContact O-N 3.39Å; K151-Q154 PolarHBondContact O-N 3.19Å; Q154-Y156 VanDerWaalsContact C-N 3.33Å; Q154-Y156 PolarHBondContact O-N 3.47Å; Q154-M157 PolarHBondContact O-N 3.45Å; Q154-E158 WeakPolarHBondContact O-CG 3.33Å; Q154-E158 PolarHBondContact O-N 2.76Å
155	E	89	Confident	88.3	Confident	109 Å²	109	108.5 Å²	108.5	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-62	-41.5	178	-169.9	168	-162.5	0	0	111.6	K151 H152 E158 V159	K151-E155 PolarHBondContact O-N 2.79Å; H152-E155 PolarHBondContact O-N 2.93Å; E155-E158 PolarHBondContact O-N 2.84Å; E155-V159 WeakPolarHBondContact O-CG2 3.24Å; E155-V159 PolarHBondContact O-N 3.43Å
156	Y	84.6	Confident	88.1	Confident	133 Å²	133	106.6 Å²	106.6	52%	0.522	52%	0.519	S	S	.	.	H	α-helix	trans	-61	-45.8	172.5	176.6	-100.4	0	0	0	112.4	H152 E153 Q154 E158 V159 R160	H152-Y156 PolarHBondContact O-N 3.39Å; E153-Y156 PolarHBondContact O-N 3.37Å; Q154-Y156 VanDerWaalsContact C-N 3.33Å; Q154-Y156 PolarHBondContact O-N 3.47Å; Y156-E158 VanDerWaalsContact C-N 3.34Å; Y156-E158 PolarHBondContact O-N 3.38Å; Y156-V159 PolarHBondContact O-N 3.45Å; Y156-R160 WeakPolarHBondContact O-CB 3.35Å; Y156-R160 PolarHBondContact O-N 3.38Å
157	M	82.9	Confident	87.8	Confident	119 Å²	119	108.2 Å²	108.2	59%	0.586	52%	0.524	S	S	*	.	H	α-helix	trans	-63.7	-38.8	178.4	-74	-84.4	-84.6	0	0	111.9	E153 Q154 R160 E161	E153-M157 WeakPolarHBondContact O-CB 3.42Å; E153-M157 VanDerWaalsContact O-CG 3.28Å; E153-M157 WeakPolarHBondContact O-CG 3.39Å; E153-M157 PolarHBondContact O-N 3.17Å; Q154-M157 PolarHBondContact O-N 3.45Å; M157-R160 PolarHBondContact O-N 3.41Å; M157-E161 WeakPolarHBondContact O-CB 3.29Å; M157-E161 PolarHBondContact O-N 3.22Å
158	E	93	Very high	87.3	Confident	105 Å²	105	106.4 Å²	106.4	49%	0.491	52%	0.517	S	S	.	.	H	α-helix	trans	-66.8	-41	175.6	-76.5	-177.1	-179.7	0	0	112.5	Q154 E155 Y156 E161 R162	Q154-E158 WeakPolarHBondContact O-CG 3.33Å; Q154-E158 PolarHBondContact O-N 2.76Å; E155-E158 PolarHBondContact O-N 2.84Å; Y156-E158 VanDerWaalsContact C-N 3.34Å; Y156-E158 PolarHBondContact O-N 3.38Å; E158-E161 PolarHBondContact O-N 2.94Å; E158-R162 WeakPolarHBondContact O-CB 3.35Å; E158-R162 WeakPolarHBondContact O-CG 3.31Å; E158-R162 PolarHBondContact O-N 2.96Å
159	V	88.9	Confident	87.1	Confident	63 Å²	63	105.8 Å²	105.8	38%	0.382	51%	0.51	S	S	.	.	H	α-helix	trans	-63.7	-46.8	174.8	171.1	0	0	0	0	109.8	E155 Y156 E161 R162 I163	E155-V159 WeakPolarHBondContact O-CG2 3.24Å; E155-V159 PolarHBondContact O-N 3.43Å; Y156-V159 PolarHBondContact O-N 3.45Å; V159-E161 PolarHBondContact O-N 3.2Å; V159-R162 PolarHBondContact O-N 2.97Å; V159-I163 HydrophobicContact CG1-CD1 3.96Å; V159-I163 WeakPolarHBondContact O-CG1 3.3Å; V159-I163 PolarHBondContact O-N 2.79Å
160	R	90.9	Very high	86.4	Confident	127 Å²	127	107.7 Å²	107.7	48%	0.479	51%	0.512	S	S	.	.	H	α-helix	trans	-58.4	-49.5	175.5	179.7	175.5	177.7	-177.4	5.7	111	Y156 M157 R162 I163 H164	Y156-R160 WeakPolarHBondContact O-CB 3.35Å; Y156-R160 PolarHBondContact O-N 3.38Å; M157-R160 PolarHBondContact O-N 3.41Å; R160-R162 VanDerWaalsContact C-N 3.33Å; R160-R162 PolarHBondContact O-N 2.94Å; R160-I163 PolarHBondContact O-N 3Å; R160-I163 VanDerWaalsContact O-N 3.17Å; R160-H164 VanDerWaalsContact CG-CD2 3.42Å; R160-H164 WeakPolarHBondContact CG-CD2 3.4Å; R160-H164 PolarHBondContact O-CD2 3.5Å; R160-H164 PolarHBondContact O-N 3.47Å
161	E	88.5	Confident	85.8	Confident	118 Å²	118	107.7 Å²	107.7	55%	0.551	51%	0.512	S	S	*	.	H	α-helix	trans	-58.6	-44.8	178.5	-172.9	-172.3	164.1	0	0	111.4	M157 E158 V159 I163 H164 R165	M157-E161 WeakPolarHBondContact O-CB 3.29Å; M157-E161 PolarHBondContact O-N 3.22Å; E158-E161 PolarHBondContact O-N 2.94Å; V159-E161 PolarHBondContact O-N 3.2Å; E161-I163 VanDerWaalsContact C-N 3.31Å; E161-I163 PolarHBondContact O-N 3.49Å; E161-H164 PolarHBondContact O-N 3.06Å; E161-R165 VanDerWaalsContact O-CB 3.24Å; E161-R165 WeakPolarHBondContact O-CB 3.45Å; E161-R165 PolarHBondContact O-N 3.06Å
162	R	88.2	Confident	85.5	Confident	163 Å²	163	105.4 Å²	105.4	62%	0.615	51%	0.507	S	S	*	.	H	α-helix	trans	-58.1	-43.1	176.3	-82	-170.8	-81.7	-175.7	-7	111.9	E158 V159 R160 A166	E158-R162 WeakPolarHBondContact O-CB 3.35Å; E158-R162 WeakPolarHBondContact O-CG 3.31Å; E158-R162 PolarHBondContact O-N 2.96Å; V159-R162 PolarHBondContact O-N 2.97Å; R160-R162 VanDerWaalsContact C-N 3.33Å; R160-R162 PolarHBondContact O-N 2.94Å; R162-A166 VanDerWaalsContact O-CB 3.31Å; R162-A166 WeakPolarHBondContact O-CB 3.48Å; R162-A166 PolarHBondContact O-N 3.24Å
163	I	86.8	Confident	85	Confident	99 Å²	99	104.8 Å²	104.8	51%	0.508	51%	0.513	S	S	.	.	H	α-helix	trans	-65.1	-50.8	176.7	-65.6	166.5	0	0	0	110.6	V159 R160 E161 R165 A166 V167	V159-I163 HydrophobicContact CG1-CD1 3.96Å; V159-I163 WeakPolarHBondContact O-CG1 3.3Å; V159-I163 PolarHBondContact O-N 2.79Å; R160-I163 PolarHBondContact O-N 3Å; R160-I163 VanDerWaalsContact O-N 3.17Å; E161-I163 VanDerWaalsContact C-N 3.31Å; E161-I163 PolarHBondContact O-N 3.49Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 3.33Å; I163-A166 PolarHBondContact O-N 3.25Å; I163-V167 WeakPolarHBondContact O-CG2 3.28Å; I163-V167 PolarHBondContact O-N 3.28Å
164	H	84.8	Confident	84.9	Confident	112 Å²	112	107.7 Å²	107.7	52%	0.519	52%	0.519	S	S	.	.	H	α-helix	trans	-60.3	-41.8	180	-83.2	-76.4	0	0	0	112	R160 E161 V167 N168	R160-H164 VanDerWaalsContact CG-CD2 3.42Å; R160-H164 WeakPolarHBondContact CG-CD2 3.4Å; R160-H164 PolarHBondContact O-CD2 3.5Å; R160-H164 PolarHBondContact O-N 3.47Å; E161-H164 PolarHBondContact O-N 3.06Å; H164-V167 PolarHBondContact O-N 3.45Å; H164-N168 WeakPolarHBondContact O-CB 3.35Å; H164-N168 PolarHBondContact O-N 3.49Å
165	R	89.9	Confident	84.8	Confident	160 Å²	160	106 Å²	106	60%	0.604	52%	0.517	S	S	*	.	H	α-helix	trans	-63.7	-45.9	175.7	-177.9	177.5	-109.3	-166.9	-2.4	111.3	E161 I163 V167 N168 D169	E161-R165 VanDerWaalsContact O-CB 3.24Å; E161-R165 WeakPolarHBondContact O-CB 3.45Å; E161-R165 PolarHBondContact O-N 3.06Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 3.33Å; R165-V167 VanDerWaalsContact C-N 3.34Å; R165-V167 PolarHBondContact O-N 3.06Å; R165-N168 PolarHBondContact O-N 2.82Å; R165-D169 WeakPolarHBondContact O-CB 3.45Å; R165-D169 PolarHBondContact O-N 2.85Å
166	A	84.6	Confident	84.5	Confident	47 Å²	47	104.9 Å²	104.9	39%	0.388	52%	0.517	S	S	.	.	H	α-helix	trans	-61.8	-40.8	178.4	0	0	0	0	0	112.4	R162 I163 N170	R162-A166 VanDerWaalsContact O-CB 3.31Å; R162-A166 WeakPolarHBondContact O-CB 3.48Å; R162-A166 PolarHBondContact O-N 3.24Å; I163-A166 PolarHBondContact O-N 3.25Å; A166-N170 VanDerWaalsContact O-CB 3.28Å; A166-N170 WeakPolarHBondContact O-CB 3.21Å; A166-N170 PolarHBondContact O-N 3.11Å; A166-N170 PolarHBondContact O-ND2 3.38Å
167	V	83	Confident	84.4	Confident	85 Å²	85	104.6 Å²	104.6	52%	0.515	52%	0.523	S	S	.	.	H	α-helix	trans	-64.6	-44.1	175.1	173	0	0	0	0	111	I163 H164 R165 T171	I163-V167 WeakPolarHBondContact O-CG2 3.28Å; I163-V167 PolarHBondContact O-N 3.28Å; H164-V167 PolarHBondContact O-N 3.45Å; R165-V167 VanDerWaalsContact C-N 3.34Å; R165-V167 PolarHBondContact O-N 3.06Å; V167-T171 WeakPolarHBondContact O-CB 3.25Å; V167-T171 PolarHBondContact O-N 2.96Å; V167-T171 PolarHBondContact O-OG1 2.82Å
168	N	80	Confident	84.5	Confident	102 Å²	102	107.4 Å²	107.4	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-63.8	-47.2	179.1	-173.4	50.2	0	0	0	111.9	H164 R165 N170 T171 N172	H164-N168 WeakPolarHBondContact O-CB 3.35Å; H164-N168 PolarHBondContact O-N 3.49Å; R165-N168 PolarHBondContact O-N 2.82Å; N168-N170 PolarHBondContact O-N 3Å; N168-T171 PolarHBondContact O-N 3.49Å; N168-N172 WeakPolarHBondContact O-CB 3.39Å; N168-N172 PolarHBondContact O-N 3.09Å
169	D	83.8	Confident	84	Confident	81 Å²	81	105.5 Å²	105.5	43%	0.433	53%	0.526	S	S	.	.	H	α-helix	trans	-63.6	-41.8	-180	-72.8	-14.5	0	0	0	111.5	R165 N172 S173	R165-D169 WeakPolarHBondContact O-CB 3.45Å; R165-D169 PolarHBondContact O-N 2.85Å; D169-N172 PolarHBondContact O-N 3.05Å; D169-S173 WeakPolarHBondContact O-CB 3.32Å; D169-S173 PolarHBondContact O-N 3.48Å
170	N	75.1	Confident	84.1	Confident	98 Å²	98	109.4 Å²	109.4	52%	0.524	54%	0.538	S	S	.	.	H	α-helix	trans	-65.1	-39.7	175.9	-76.1	-22	0	0	0	112.5	A166 N168 R174	A166-N170 VanDerWaalsContact O-CB 3.28Å; A166-N170 WeakPolarHBondContact O-CB 3.21Å; A166-N170 PolarHBondContact O-N 3.11Å; A166-N170 PolarHBondContact O-ND2 3.38Å; N168-N170 PolarHBondContact O-N 3Å; N170-R174 WeakPolarHBondContact O-CD 3.29Å; N170-R174 VanDerWaalsContact O-CG 3.25Å; N170-R174 WeakPolarHBondContact O-CG 3.47Å; N170-R174 PolarHBondContact O-N 3.45Å
171	T	78.8	Confident	84	Confident	76 Å²	76	109.1 Å²	109.1	47%	0.466	54%	0.54	S	S	.	.	H	α-helix	trans	-67.9	-48.3	177.3	-58.1	0	0	0	0	110.4	V167 N168 S173 R174 V175	V167-T171 WeakPolarHBondContact O-CB 3.25Å; V167-T171 PolarHBondContact O-N 2.96Å; V167-T171 PolarHBondContact O-OG1 2.82Å; N168-T171 PolarHBondContact O-N 3.49Å; T171-S173 PolarHBondContact O-N 3.23Å; T171-R174 PolarHBondContact O-N 3.08Å; T171-V175 HydrophobicContact CG2-CG2 4.37Å; T171-V175 WeakPolarHBondContact O-CG2 3.46Å; T171-V175 PolarHBondContact O-N 3.07Å
172	N	83.3	Confident	84	Confident	92 Å²	92	109.2 Å²	109.2	49%	0.492	54%	0.541	S	S	.	.	H	α-helix	trans	-58	-48	179.6	-175.9	34.9	0	0	0	111.4	N168 D169 R174 V175 V176	N168-N172 WeakPolarHBondContact O-CB 3.39Å; N168-N172 PolarHBondContact O-N 3.09Å; D169-N172 PolarHBondContact O-N 3.05Å; N172-R174 PolarHBondContact O-N 3.4Å; N172-V175 PolarHBondContact O-N 3.37Å; N172-V176 WeakPolarHBondContact O-CB 3.24Å; N172-V176 VanDerWaalsContact O-CG2 3.24Å; N172-V176 WeakPolarHBondContact O-CG2 3.44Å; N172-V176 PolarHBondContact O-N 3.32Å
173	S	78.3	Confident	84.2	Confident	80 Å²	80	103.9 Å²	103.9	56%	0.559	53%	0.532	S	S	*	.	H	α-helix	trans	-60.4	-42.9	179.2	-177.8	0	0	0	0	112.8	D169 T171 L177	D169-S173 WeakPolarHBondContact O-CB 3.32Å; D169-S173 PolarHBondContact O-N 3.48Å; T171-S173 PolarHBondContact O-N 3.23Å; S173-L177 WeakPolarHBondContact O-CB 3.28Å; S173-L177 PolarHBondContact O-N 2.99Å
174	R	81.1	Confident	84.5	Confident	177 Å²	177	104 Å²	104	67%	0.668	53%	0.533	S	S	*	.	H	α-helix	trans	-64.8	-46	177.7	-70.3	171.8	-171	-133.5	3.1	111.7	N170 T171 N172 L177 W178	N170-R174 WeakPolarHBondContact O-CD 3.29Å; N170-R174 VanDerWaalsContact O-CG 3.25Å; N170-R174 WeakPolarHBondContact O-CG 3.47Å; N170-R174 PolarHBondContact O-N 3.45Å; T171-R174 PolarHBondContact O-N 3.08Å; N172-R174 PolarHBondContact O-N 3.4Å; R174-L177 PolarHBondContact O-N 3.4Å; R174-W178 PolarHBondContact O-N 3.09Å; R174-W178 VanDerWaalsContact O-N 3.08Å
175	V	84.9	Confident	84.9	Confident	81 Å²	81	101.6 Å²	101.6	49%	0.491	53%	0.526	S	S	.	.	H	α-helix	trans	-61.8	-47.6	179.3	172.3	0	0	0	0	110.5	T171 N172 L177 W178 S179	T171-V175 HydrophobicContact CG2-CG2 4.37Å; T171-V175 WeakPolarHBondContact O-CG2 3.46Å; T171-V175 PolarHBondContact O-N 3.07Å; N172-V175 PolarHBondContact O-N 3.37Å; V175-L177 VanDerWaalsContact C-N 3.33Å; V175-L177 PolarHBondContact O-N 3.28Å; V175-W178 PolarHBondContact O-N 2.9Å; V175-S179 PolarHBondContact O-N 3.43Å; V175-S179 PolarHBondContact O-OG 3.01Å; V175-S179 VanDerWaalsContact O-OG 3.09Å
176	V	83.2	Confident	85.1	Confident	85 Å²	85	98.9 Å²	98.9	52%	0.515	52%	0.523	S	S	.	.	H	α-helix	trans	-60.1	-42.1	179.5	171	0	0	0	0	111.7	N172 S179 F180	N172-V176 WeakPolarHBondContact O-CB 3.24Å; N172-V176 VanDerWaalsContact O-CG2 3.24Å; N172-V176 WeakPolarHBondContact O-CG2 3.44Å; N172-V176 PolarHBondContact O-N 3.32Å; V176-S179 PolarHBondContact O-N 2.94Å; V176-F180 PolarHBondContact O-N 3.2Å
177	L	82.3	Confident	85.6	Confident	126 Å²	126	100.7 Å²	100.7	66%	0.66	53%	0.529	S	S	*	.	H	α-helix	trans	-63.3	-45.4	177.4	-174.2	69.3	0	0	0	111.9	S173 R174 V175 F180 F181	S173-L177 WeakPolarHBondContact O-CB 3.28Å; S173-L177 PolarHBondContact O-N 2.99Å; R174-L177 PolarHBondContact O-N 3.4Å; V175-L177 VanDerWaalsContact C-N 3.33Å; V175-L177 PolarHBondContact O-N 3.28Å; L177-F180 PolarHBondContact O-N 3.43Å; L177-F181 PolarHBondContact O-N 3.03Å
178	W	85.4	Confident	86.1	Confident	178 Å²	178	99.2 Å²	99.2	67%	0.674	53%	0.526	S	S	*	.	H	α-helix	trans	-64.1	-41.2	177.1	-82.2	111.7	0	0	0	112.3	R174 V175 F180 F181 E182	R174-W178 PolarHBondContact O-N 3.09Å; R174-W178 VanDerWaalsContact O-N 3.08Å; V175-W178 PolarHBondContact O-N 2.9Å; W178-F180 VanDerWaalsContact C-N 3.35Å; W178-F180 PolarHBondContact O-N 3.46Å; W178-F181 HydrophobicContact CE3-CD1 4.2Å; W178-F181 HydrophobicContact CZ3-CD1 4.15Å; W178-F181 HydrophobicContact CZ3-CE1 4.42Å; W178-F181 PolarHBondContact O-N 3.3Å; W178-E182 WeakPolarHBondContact O-CB 3.5Å; W178-E182 PolarHBondContact O-N 3.18Å
179	S	82.1	Confident	86.8	Confident	65 Å²	65	99.6 Å²	99.6	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-62.9	-39.4	175.7	-61.2	0	0	0	0	112.6	V175 V176 A183	V175-S179 PolarHBondContact O-N 3.43Å; V175-S179 PolarHBondContact O-OG 3.01Å; V175-S179 VanDerWaalsContact O-OG 3.09Å; V176-S179 PolarHBondContact O-N 2.94Å; S179-A183 WeakPolarHBondContact O-CB 3.42Å; S179-A183 PolarHBondContact O-N 3.46Å
180	F	92.1	Very high	87.3	Confident	146 Å²	146	99 Å²	99	64%	0.64	53%	0.525	S	S	*	.	H	α-helix	trans	-66.9	-41.7	176	-172.2	-94.6	0	0	0	111.9	V176 L177 W178 A183 L184	V176-F180 PolarHBondContact O-N 3.2Å; L177-F180 PolarHBondContact O-N 3.43Å; W178-F180 VanDerWaalsContact C-N 3.35Å; W178-F180 PolarHBondContact O-N 3.46Å; F180-A183 PolarHBondContact O-N 3.01Å; F180-L184 HydrophobicContact CE1-CD1 4.44Å; F180-L184 PolarHBondContact O-N 3.39Å
181	F	88.3	Confident	88.3	Confident	120 Å²	120	99.6 Å²	99.6	53%	0.526	53%	0.528	S	S	.	.	H	α-helix	trans	-61.6	-47	175.8	176.7	-100.7	0	0	0	111.9	L177 W178 A183 L184 V185	L177-F181 PolarHBondContact O-N 3.03Å; W178-F181 HydrophobicContact CE3-CD1 4.2Å; W178-F181 HydrophobicContact CZ3-CD1 4.15Å; W178-F181 HydrophobicContact CZ3-CE1 4.42Å; W178-F181 PolarHBondContact O-N 3.3Å; F181-A183 PolarHBondContact O-N 3.37Å; F181-L184 WeakPolarHBondContact O-CB 3.5Å; F181-L184 PolarHBondContact O-N 3.44Å; F181-V185 HydrophobicContact CD1-CG2 4.35Å; F181-V185 HydrophobicContact CE1-CG2 3.91Å; F181-V185 HydrophobicContact CE2-CG2 4.27Å; F181-V185 HydrophobicContact CZ-CG2 3.87Å; F181-V185 WeakPolarHBondContact O-CG2 3.42Å; F181-V185 PolarHBondContact O-N 3.05Å
182	E	87.6	Confident	89	Confident	121 Å²	121	97.8 Å²	97.8	57%	0.565	52%	0.524	S	S	*	.	H	α-helix	trans	-59.4	-45.6	177.2	-175.3	-179.5	175.4	0	0	111.8	W178 L184 V185 L186	W178-E182 WeakPolarHBondContact O-CB 3.5Å; W178-E182 PolarHBondContact O-N 3.18Å; E182-L184 VanDerWaalsContact C-N 3.3Å; E182-L184 PolarHBondContact O-N 3.37Å; E182-V185 PolarHBondContact O-N 2.99Å; E182-L186 WeakPolarHBondContact O-CG 3.41Å; E182-L186 PolarHBondContact O-N 2.93Å
183	A	92.5	Very high	89.3	Confident	51 Å²	51	98.7 Å²	98.7	42%	0.421	53%	0.525	S	S	.	.	H	α-helix	trans	-58.7	-42	176.4	0	0	0	0	0	112	S179 F180 F181 L186 V187	S179-A183 WeakPolarHBondContact O-CB 3.42Å; S179-A183 PolarHBondContact O-N 3.46Å; F180-A183 PolarHBondContact O-N 3.01Å; F181-A183 PolarHBondContact O-N 3.37Å; A183-L186 PolarHBondContact O-N 3.31Å; A183-V187 WeakPolarHBondContact O-CG2 3.47Å; A183-V187 PolarHBondContact O-N 3.5Å
184	L	94.1	Very high	90.1	Very high	100 Å²	100	99.1 Å²	99.1	52%	0.524	52%	0.52	S	S	.	.	H	α-helix	trans	-63.5	-42.3	176.9	-167.7	156.4	0	0	0	111.5	F180 F181 E182 L186 V187 A188	F180-L184 HydrophobicContact CE1-CD1 4.44Å; F180-L184 PolarHBondContact O-N 3.39Å; F181-L184 WeakPolarHBondContact O-CB 3.5Å; F181-L184 PolarHBondContact O-N 3.44Å; E182-L184 VanDerWaalsContact C-N 3.3Å; E182-L184 PolarHBondContact O-N 3.37Å; L184-L186 PolarHBondContact O-N 3.04Å; L184-V187 PolarHBondContact O-N 3.36Å; L184-A188 WeakPolarHBondContact O-CB 3.46Å; L184-A188 PolarHBondContact O-N 2.89Å
185	V	92.6	Very high	90.6	Very high	63 Å²	63	97.3 Å²	97.3	38%	0.382	52%	0.515	S	S	.	.	H	α-helix	trans	-62	-42.9	176.8	172.2	0	0	0	0	111.4	F181 E182 A188 M189	F181-V185 HydrophobicContact CD1-CG2 4.35Å; F181-V185 HydrophobicContact CE1-CG2 3.91Å; F181-V185 HydrophobicContact CE2-CG2 4.27Å; F181-V185 HydrophobicContact CZ-CG2 3.87Å; F181-V185 WeakPolarHBondContact O-CG2 3.42Å; F181-V185 PolarHBondContact O-N 3.05Å; E182-V185 PolarHBondContact O-N 2.99Å; V185-A188 PolarHBondContact O-N 3.43Å; V185-M189 HydrophobicContact CG1-CG 4.49Å; V185-M189 WeakPolarHBondContact O-CB 3.38Å; V185-M189 WeakPolarHBondContact O-CG 3.41Å; V185-M189 PolarHBondContact O-N 2.89Å
186	L	94.3	Very high	90.9	Very high	103 Å²	103	101 Å²	101	54%	0.539	52%	0.521	S	S	.	.	H	α-helix	trans	-62.9	-42.1	176.2	-70.2	175.4	0	0	0	112.1	E182 A183 L184 M189 T190	E182-L186 WeakPolarHBondContact O-CG 3.41Å; E182-L186 PolarHBondContact O-N 2.93Å; A183-L186 PolarHBondContact O-N 3.31Å; L184-L186 PolarHBondContact O-N 3.04Å; L186-M189 PolarHBondContact O-N 3.06Å; L186-T190 WeakPolarHBondContact O-CG2 3.39Å; L186-T190 PolarHBondContact O-N 3.11Å; L186-T190 PolarHBondContact O-OG1 2.98Å; L186-T190 VanDerWaalsContact O-OG1 3.11Å
187	V	95.8	Very high	91.1	Very high	84 Å²	84	101.5 Å²	101.5	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-63.2	-44.9	174.8	173	0	0	0	0	110.9	A183 L184 M189 T190 L191	A183-V187 WeakPolarHBondContact O-CG2 3.47Å; A183-V187 PolarHBondContact O-N 3.5Å; L184-V187 PolarHBondContact O-N 3.36Å; V187-M189 VanDerWaalsContact C-N 3.34Å; V187-M189 PolarHBondContact O-N 2.99Å; V187-T190 WeakPolarHBondContact CA-OG1 3.35Å; V187-T190 PolarHBondContact O-N 3.4Å; V187-T190 PolarHBondContact O-OG1 3.31Å; V187-L191 HydrophobicContact CG1-CD1 4.07Å; V187-L191 HydrophobicContact CG1-CG 4.48Å; V187-L191 WeakPolarHBondContact O-CG 3.37Å; V187-L191 PolarHBondContact O-N 2.85Å
188	A	93.3	Very high	91.3	Very high	55 Å²	55	102.4 Å²	102.4	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-61.6	-42	177.3	0	0	0	0	0	112.1	L184 V185 L191 G192	L184-A188 WeakPolarHBondContact O-CB 3.46Å; L184-A188 PolarHBondContact O-N 2.89Å; V185-A188 PolarHBondContact O-N 3.43Å; A188-L191 PolarHBondContact O-N 3.34Å; A188-G192 PolarHBondContact O-N 2.87Å
189	M	93.8	Very high	91.1	Very high	110 Å²	110	101 Å²	101	54%	0.542	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-46.9	176.9	-82.2	-70.1	-69.5	0	0	112.2	V185 L186 V187 G192 Q193	V185-M189 HydrophobicContact CG1-CG 4.49Å; V185-M189 WeakPolarHBondContact O-CB 3.38Å; V185-M189 WeakPolarHBondContact O-CG 3.41Å; V185-M189 PolarHBondContact O-N 2.89Å; L186-M189 PolarHBondContact O-N 3.06Å; V187-M189 VanDerWaalsContact C-N 3.34Å; V187-M189 PolarHBondContact O-N 2.99Å; M189-G192 PolarHBondContact O-N 3.26Å; M189-Q193 WeakPolarHBondContact O-CB 3.49Å; M189-Q193 VanDerWaalsContact O-CG 3.3Å; M189-Q193 WeakPolarHBondContact O-CG 3.35Å; M189-Q193 PolarHBondContact O-N 3.39Å
190	T	95.3	Very high	91.1	Very high	69 Å²	69	103.8 Å²	103.8	42%	0.423	52%	0.518	S	S	.	.	H	α-helix	trans	-64.7	-41.5	178.9	53.4	0	0	0	0	112	L186 V187 Q193 I194	L186-T190 WeakPolarHBondContact O-CG2 3.39Å; L186-T190 PolarHBondContact O-N 3.11Å; L186-T190 PolarHBondContact O-OG1 2.98Å; L186-T190 VanDerWaalsContact O-OG1 3.11Å; V187-T190 WeakPolarHBondContact CA-OG1 3.35Å; V187-T190 PolarHBondContact O-N 3.4Å; V187-T190 PolarHBondContact O-OG1 3.31Å; T190-Q193 PolarHBondContact O-N 3.49Å; T190-I194 VanDerWaalsContact O-CG1 3.28Å; T190-I194 WeakPolarHBondContact O-CG1 3.3Å; T190-I194 PolarHBondContact O-N 3.38Å
191	L	94.4	Very high	90.4	Very high	109 Å²	109	104.7 Å²	104.7	57%	0.571	52%	0.521	S	S	*	.	H	α-helix	trans	-62.9	-42.4	172.9	-69.8	176.2	0	0	0	112	V187 A188 I194 Y195	V187-L191 HydrophobicContact CG1-CD1 4.07Å; V187-L191 HydrophobicContact CG1-CG 4.48Å; V187-L191 WeakPolarHBondContact O-CG 3.37Å; V187-L191 PolarHBondContact O-N 2.85Å; A188-L191 PolarHBondContact O-N 3.34Å; L191-I194 PolarHBondContact O-N 3.33Å; L191-Y195 WeakPolarHBondContact O-CB 3.12Å; L191-Y195 PolarHBondContact O-N 3.5Å
192	G	93.5	Very high	89.6	Confident	38 Å²	38	106.4 Å²	106.4	39%	0.392	53%	0.531	S	S	.	.	H	α-helix	trans	-60.7	-44.2	175.4	0	0	0	0	0	112.5	A188 M189 Y195 Y196	A188-G192 PolarHBondContact O-N 2.87Å; M189-G192 PolarHBondContact O-N 3.26Å; G192-Y195 PolarHBondContact O-N 2.88Å; G192-Y196 WeakPolarHBondContact O-CB 3.45Å; G192-Y196 PolarHBondContact O-N 3.02Å
193	Q	91.4	Very high	88.2	Confident	112 Å²	112	105.9 Å²	105.9	52%	0.523	54%	0.536	S	S	.	.	H	α-helix	trans	-60.4	-45.3	175.1	-75.1	173.4	-17.5	0	0	111.8	M189 T190 Y196 L197	M189-Q193 WeakPolarHBondContact O-CB 3.49Å; M189-Q193 VanDerWaalsContact O-CG 3.3Å; M189-Q193 WeakPolarHBondContact O-CG 3.35Å; M189-Q193 PolarHBondContact O-N 3.39Å; T190-Q193 PolarHBondContact O-N 3.49Å; Q193-Y196 PolarHBondContact O-N 3.02Å; Q193-L197 WeakPolarHBondContact O-CG 3.28Å; Q193-L197 PolarHBondContact O-N 2.87Å
194	I	93.6	Very high	86.6	Confident	88 Å²	88	113.7 Å²	113.7	45%	0.451	55%	0.554	S	S	.	*	H	α-helix	trans	-63.9	-44.3	177.6	-67.3	164.8	0	0	0	110.8	T190 L191 L197 K198	T190-I194 VanDerWaalsContact O-CG1 3.28Å; T190-I194 WeakPolarHBondContact O-CG1 3.3Å; T190-I194 PolarHBondContact O-N 3.38Å; L191-I194 PolarHBondContact O-N 3.33Å; I194-L197 PolarHBondContact O-N 3.45Å; I194-K198 HydrophobicContact CG2-CD 4.25Å; I194-K198 WeakPolarHBondContact O-CB 3.49Å; I194-K198 WeakPolarHBondContact O-CG 3.32Å; I194-K198 PolarHBondContact O-N 3.44Å
195	Y	92.6	Very high	85.1	Confident	140 Å²	140	120.5 Å²	120.5	55%	0.549	57%	0.573	S	S	.	*	H	α-helix	trans	-61.2	-45.4	177.2	177.6	-96.2	0	0	0	111.7	L191 G192 K198 R199	L191-Y195 WeakPolarHBondContact O-CB 3.12Å; L191-Y195 PolarHBondContact O-N 3.5Å; G192-Y195 PolarHBondContact O-N 2.88Å; Y195-K198 PolarHBondContact O-N 3.33Å; Y195-R199 VanDerWaalsContact O-CB 3.32Å; Y195-R199 WeakPolarHBondContact O-CB 3.43Å; Y195-R199 PolarHBondContact O-N 2.84Å; Y195-R199 PolarHBondContact OH-NH1 2.89Å
196	Y	90.1	Very high	83.4	Confident	157 Å²	157	123.5 Å²	123.5	62%	0.616	59%	0.591	S	S	*	*	H	α-helix	trans	-59.8	-48.5	177.6	-179.7	-93.6	0	0	0	111.6	G192 Q193 R199 F200	G192-Y196 WeakPolarHBondContact O-CB 3.45Å; G192-Y196 PolarHBondContact O-N 3.02Å; Q193-Y196 PolarHBondContact O-N 3.02Å; Y196-R199 PolarHBondContact O-N 3.1Å; Y196-F200 VanDerWaalsContact O-CB 3.32Å; Y196-F200 WeakPolarHBondContact O-CB 3.44Å; Y196-F200 PolarHBondContact O-N 2.9Å
197	L	88.5	Confident	81.2	Confident	96 Å²	96	128.2 Å²	128.2	50%	0.503	62%	0.624	S	S	.	*	H	α-helix	trans	-62.1	-45.5	177.8	-72.3	174.7	0	0	0	111.8	Q193 I194 R199 F200 F201	Q193-L197 WeakPolarHBondContact O-CG 3.28Å; Q193-L197 PolarHBondContact O-N 2.87Å; I194-L197 PolarHBondContact O-N 3.45Å; L197-R199 VanDerWaalsContact C-N 3.35Å; L197-R199 PolarHBondContact O-N 3.38Å; L197-F200 PolarHBondContact O-N 3.33Å; L197-F201 WeakPolarHBondContact O-CD2 3.42Å; L197-F201 PolarHBondContact O-N 2.94Å; L197-F201 VanDerWaalsContact O-N 3.1Å
198	K	85.1	Confident	80.5	Confident	145 Å²	145	130.4 Å²	130.4	63%	0.63	63%	0.63	S	S	*	*	H	α-helix	trans	-58.9	-46.6	176.2	-77.9	-175.5	176.5	-178	0	111.5	I194 Y195 F200 F201 E202	I194-K198 HydrophobicContact CG2-CD 4.25Å; I194-K198 WeakPolarHBondContact O-CB 3.49Å; I194-K198 WeakPolarHBondContact O-CG 3.32Å; I194-K198 PolarHBondContact O-N 3.44Å; Y195-K198 PolarHBondContact O-N 3.33Å; K198-F200 PolarHBondContact O-N 2.86Å; K198-F201 PolarHBondContact O-N 3.45Å; K198-E202 WeakPolarHBondContact O-CB 3.32Å; K198-E202 PolarHBondContact O-N 3.36Å
199	R	82.8	Confident	79.8	Confident	148 Å²	148	134.4 Å²	134.4	56%	0.558	64%	0.639	S	S	*	*	H	α-helix	trans	-67.7	-35.1	179.9	-172.6	163.2	178.7	167.6	-3.1	112.8	Y195 Y196 L197 E202 V203	Y195-R199 VanDerWaalsContact O-CB 3.32Å; Y195-R199 WeakPolarHBondContact O-CB 3.43Å; Y195-R199 PolarHBondContact O-N 2.84Å; Y195-R199 PolarHBondContact OH-NH1 2.89Å; Y196-R199 PolarHBondContact O-N 3.1Å; L197-R199 VanDerWaalsContact C-N 3.35Å; L197-R199 PolarHBondContact O-N 3.38Å; R199-E202 PolarHBondContact O-N 3.31Å; R199-V203 WeakPolarHBondContact O-CG2 3.32Å; R199-V203 PolarHBondContact O-N 2.95Å
200	F	81.9	Confident	79	Confident	125 Å²	125	135.7 Å²	135.7	55%	0.548	64%	0.644	S	S	.	*	H	α-helix	trans	-62.3	-43.7	174.3	-178.9	-96.7	0	0	0	111.6	Y196 L197 K198 E202 V203	Y196-F200 VanDerWaalsContact O-CB 3.32Å; Y196-F200 WeakPolarHBondContact O-CB 3.44Å; Y196-F200 PolarHBondContact O-N 2.9Å; L197-F200 PolarHBondContact O-N 3.33Å; K198-F200 PolarHBondContact O-N 2.86Å; F200-E202 VanDerWaalsContact C-N 3.34Å; F200-V203 PolarHBondContact O-N 3.33Å
201	F	76.2	Confident	78.1	Confident	164 Å²	164	139.6 Å²	139.6	72%	0.719	66%	0.657	S	S	*	*	H	α-helix	trans	-77.4	-17.4	176.1	-69.7	-64.1	0	0	0	114.1	L197 K198 V203	L197-F201 WeakPolarHBondContact O-CD2 3.42Å; L197-F201 PolarHBondContact O-N 2.94Å; L197-F201 VanDerWaalsContact O-N 3.1Å; K198-F201 PolarHBondContact O-N 3.45Å; F201-V203 VanDerWaalsContact C-N 3.3Å
202	E	71.7	Confident	77.1	Confident	157 Å²	157	141.6 Å²	141.6	73%	0.734	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-6.1	173.9	-164.7	173.6	175.4	0	0	113	K198 R199 F200 R204	K198-E202 WeakPolarHBondContact O-CB 3.32Å; K198-E202 PolarHBondContact O-N 3.36Å; R199-E202 PolarHBondContact O-N 3.31Å; F200-E202 VanDerWaalsContact C-N 3.34Å; E202-R204 VanDerWaalsContact C-N 3.34Å; E202-R204 PolarHBondContact O-N 2.91Å
203	V	59.1	Low	76	Confident	110 Å²	110	148.5 Å²	148.5	67%	0.667	68%	0.681	S	S	*	*	S	Bend	trans	-69.2	94.1	171.3	-177.7	0	0	0	0	109.9	R199 F200 F201	R199-V203 WeakPolarHBondContact O-CG2 3.32Å; R199-V203 PolarHBondContact O-N 2.95Å; F200-V203 PolarHBondContact O-N 3.33Å; F201-V203 VanDerWaalsContact C-N 3.3Å
204	R	59.5	Low	74.9	Confident	214 Å²	214	151.1 Å²	151.1	81%	0.808	69%	0.692	S	S	*	*			trans	18	106	159.6	-65.5	-175.2	176	-148.1	-1.6	115.2	E202 V206	E202-R204 VanDerWaalsContact C-N 3.34Å; E202-R204 PolarHBondContact O-N 2.91Å; R204-V206 VanDerWaalsContact C-N 3.26Å; R204-V206 HydrophobicContact CB-CG2 4.13Å; R204-V206 PolarHBondContact O-N 2.84Å
205	R	62.5	Low	73.4	Confident	244 Å²	244	155.9 Å²	155.9	92%	0.921	71%	0.71	S	S	*	*			trans	-57.9	101.6	141.1	-70.5	-164.3	-148.3	173.1	7.4	106.6	V207	R205-V207 PolarHBondContact O-N 3.3Å
206	V	55.3	Low	71.8	Confident	126 Å²	126	157.3 Å²	157.3	76%	0.764	72%	0.724	S	S	*	*			trans	-78.9	97.1	159.1	-178.9	0	0	0	0	105.3	R204	R204-V206 VanDerWaalsContact C-N 3.26Å; R204-V206 HydrophobicContact CB-CG2 4.13Å; R204-V206 PolarHBondContact O-N 2.84Å
207	V	49.3	Very low	70.2	Confident	201 Å²	201	157.3 Å²	157.3	100%	1.218	73%	0.734	S	S	*	*			trans	-129.4	0	151.3	-174.3	0	0	0	0	106.2	R205	R205-V207 PolarHBondContact O-N 3.3Å

Retrieved 207 of 207 residues in 295.5 ms (Link to these results)

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