A0A060WX84_ONCMY Loading...

Proteasome (prosome, macropain) assembly chaperone 3

AlphaFold DB (B5X7K7), UniProt , Accession A0A060WX84, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene psmg3, Length 122 aa.

						>A0A060WX84_ONCMY|A0A060WX84|psmg3
MSTQPLIRSKQTEKSINGISTQVVCTEFSNYIFIVLTQYGKIGTLVSVTPDSRSGDISTPMFTTKVLLGKEEALTHVCAKNLATFVSQEAGNRPVLLGLALKDSSIEAIKAMKDVIKSCQVW
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.7	Low	83.9	Confident	237 Å²	237	134.9 Å²	134.9	100%	1.167	71%	0.707	S	S	*	*				0	126.9	0	-68.4	-169.7	176.5	0	0	107.4	T3	M1-T3 PolarHBondContact O-N 3.4Å
2	S	62	Low	85.1	Confident	112 Å²	112	127.4 Å²	127.4	78%	0.783	67%	0.671	S	S	*	*			trans	-63.4	126.2	176.6	-177.7	0	0	0	0	109.1	Q4	S2-Q4 PolarHBondContact O-N 3.21Å
3	T	73.2	Confident	86.1	Confident	138 Å²	138	126.1 Å²	126.1	85%	0.847	66%	0.659	S	S	*	*			trans	-80.3	63.4	-176.1	53	0	0	0	0	110.6	M1	M1-T3 PolarHBondContact O-N 3.4Å
4	Q	78.1	Confident	87	Confident	168 Å²	168	124.1 Å²	124.1	79%	0.785	64%	0.642	S	S	*	*			trans	-71.9	130.8	168.8	-84.9	-173.6	-26.7	0	0	109.4	S2 L6	S2-Q4 PolarHBondContact O-N 3.21Å; Q4-L6 PolarHBondContact O-N 3.18Å
5	P	80.6	Confident	87.7	Confident	109 Å²	109	121.7 Å²	121.7	71%	0.708	64%	0.64	S	S	*	*			trans	-65.3	133.3	178.7	25.1	-31.4	0	0	0	110.1	I7	P5-I7 PolarHBondContact O-N 3.02Å
6	L	88.5	Confident	88.3	Confident	180 Å²	180	114.6 Å²	114.6	94%	0.942	60%	0.603	S	S	*	*	S	Bend	trans	-63.6	-25.3	179	-168.4	72.8	0	0	0	112.3	Q4	Q4-L6 PolarHBondContact O-N 3.18Å
7	I	94.2	Very high	88.7	Confident	67 Å²	67	114.1 Å²	114.1	34%	0.344	60%	0.601	S	S	.	*	S	Bend	trans	-118.4	131.7	-174.8	-69.9	163.6	0	0	0	109.2	P5 S9 T26 E27 F28	P5-I7 PolarHBondContact O-N 3.02Å; I7-S9 PolarHBondContact O-N 2.89Å; I7-T26 HydrophobicContact CG2-CG2 3.34Å; I7-E27 VanDerWaalsContact CG2-O 3.29Å; I7-E27 WeakPolarHBondContact CG2-O 3.19Å; I7-F28 HydrophobicContact CD1-CD1 4.03Å; I7-F28 HydrophobicContact CD1-CE1 3.58Å; I7-F28 HydrophobicContact CD1-CZ 4.44Å
8	R	96.6	Very high	89.2	Confident	139 Å²	139	111.6 Å²	111.6	53%	0.525	61%	0.607	S	S	.	*			trans	-71.1	124.9	175.5	-62.1	-168.3	-66.7	-178.8	2.4	109.6	T26 E27 V121	R8-T26 WeakPolarHBondContact O-CA 3.45Å; R8-E27 HydrophobicContact CB-CB 4.48Å; R8-E27 IonicContact CZ-OE2 3.09Å; R8-E27 IonicContact NE-OE2 2.66Å; R8-E27 PolarHBondContact NE-OE2 2.97Å; R8-E27 IonicContact NH2-OE1 2.82Å; R8-E27 PolarHBondContact NH2-OE1 2.94Å; R8-E27 VanDerWaalsContact NH2-OE1 3.09Å; R8-E27 IonicContact NH2-OE2 3.37Å; R8-E27 PolarHBondContact NH2-OE2 2.77Å; R8-E27 PolarHBondContact O-N 2.58Å; R8-V121 HydrophobicContact CB-CB 4.39Å; R8-V121 VanDerWaalsContact CZ-O 3.26Å; R8-V121 PolarHBondContact NE-O 3.33Å; R8-V121 PolarHBondContact NH2-O 2.93Å; R8-V121 VanDerWaalsContact NH2-O 3.08Å
9	S	97.9	Very high	89.6	Confident	64 Å²	64	107.8 Å²	107.8	45%	0.448	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.6	139.3	175.8	-166.6	0	0	0	0	110.4	I7 C25 T26	I7-S9 PolarHBondContact O-N 2.89Å; S9-C25 WeakPolarHBondContact CA-O 3.49Å; S9-C25 PolarHBondContact OG-O 2.63Å; S9-T26 PolarHBondContact OG-OG1 2.8Å
10	K	98.3	Very high	90	Very high	113 Å²	113	105.1 Å²	105.1	49%	0.491	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.9	147.4	172.8	-73.6	-178.6	-175	167.8	0	109.5	V24 C25 C119 Q120 V121	K10-V24 WeakPolarHBondContact O-CA 3.2Å; K10-C25 PolarHBondContact N-O 3.31Å; K10-C25 PolarHBondContact O-N 2.86Å; K10-C119 HydrophobicContact CB-CB 4.26Å; K10-Q120 WeakPolarHBondContact CD-O 3.39Å; K10-Q120 WeakPolarHBondContact CE-O 3.23Å; K10-Q120 PolarHBondContact NZ-O 3.33Å; K10-V121 HydrophobicContact CB-CG1 3.82Å; K10-V121 HydrophobicContact CD-CG1 3.99Å; K10-V121 HydrophobicContact CG-CG1 3.7Å
11	Q	98.2	Very high	90.4	Very high	157 Å²	157	100.1 Å²	100.1	73%	0.734	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.6	177	63.7	-175.7	69.9	0	0	111.4	V23 V24	Q11-V23 CarbonylContact C-O 3.59Å; Q11-V23 WeakPolarHBondContact CA-O 3.41Å; Q11-V24 HydrophobicContact CB-CB 4.43Å; Q11-V24 HydrophobicContact CB-CG1 4.42Å; Q11-V24 HydrophobicContact CB-CG2 3.89Å
12	T	98.4	Very high	92.5	Very high	45 Å²	45	92.4 Å²	92.4	28%	0.276	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	161.4	173.4	-160.1	0	0	0	0	110.5	V23 V115 C119	T12-V23 HydrophobicContact CG2-CB 4.33Å; T12-V23 PolarHBondContact N-O 3.2Å; T12-V23 PolarHBondContact O-N 2.94Å; T12-V115 HydrophobicContact CG2-CG1 3.33Å; T12-C119 WeakPolarHBondContact CG2-SG 3.47Å
13	E	98.2	Very high	94.2	Very high	110 Å²	110	87.1 Å²	87.1	51%	0.514	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.1	172.7	-177.6	171.2	163.7	0	0	108.4	S20 T21 Q22	E13-S20 VanDerWaalsContact CD-OG 3.29Å; E13-S20 WeakPolarHBondContact CG-OG 3.4Å; E13-S20 PolarHBondContact OE1-OG 2.64Å; E13-T21 WeakPolarHBondContact CA-O 3.32Å; E13-Q22 HydrophobicContact CB-CG 4.09Å; E13-Q22 HydrophobicContact CG-CG 3.77Å; E13-Q22 PolarHBondContact OE2-NE2 2.9Å
14	K	97.8	Very high	95.4	Very high	98 Å²	98	82.5 Å²	82.5	43%	0.426	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	149.7	176.5	-69.9	-170.1	-179.7	178.4	0	110.6	T21 V115	K14-T21 PolarHBondContact N-O 2.9Å; K14-T21 WeakPolarHBondContact O-CA 3.49Å; K14-T21 WeakPolarHBondContact O-CB 3.48Å; K14-T21 PolarHBondContact O-N 2.92Å; K14-V115 HydrophobicContact CB-CG2 4.32Å; K14-V115 HydrophobicContact CD-CG1 4.37Å; K14-V115 HydrophobicContact CD-CG2 3.91Å
15	S	97.8	Very high	96.4	Very high	88 Å²	88	74.5 Å²	74.5	62%	0.615	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	125.9	169.9	-171.8	0	0	0	0	109.9	G18 I19	S15-G18 WeakPolarHBondContact OG-CA 3.41Å; S15-I19 WeakPolarHBondContact CA-O 3.39Å
16	I	97.4	Very high	97.3	Very high	8 Å²	8	70.1 Å²	70.1	4%	0.041	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.7	174.3	-58.2	179.6	0	0	0	106.8	G18 I19 T21 A108 A111 M112 V115	I16-G18 PolarHBondContact O-N 3.1Å; I16-I19 PolarHBondContact N-O 3.17Å; I16-I19 WeakPolarHBondContact O-CB 3.37Å; I16-I19 PolarHBondContact O-N 2.88Å; I16-T21 HydrophobicContact CD1-CG2 3.95Å; I16-A108 HydrophobicContact CG2-CB 4.09Å; I16-A111 HydrophobicContact CD1-CB 4.24Å; I16-A111 HydrophobicContact CG1-CB 4.45Å; I16-A111 HydrophobicContact CG2-CB 3.95Å; I16-M112 HydrophobicContact CD1-CB 4.34Å; I16-M112 HydrophobicContact CD1-CE 4.5Å; I16-M112 HydrophobicContact CD1-CG 3.48Å; I16-M112 VanDerWaalsContact CD1-CG 3.48Å; I16-V115 HydrophobicContact CD1-CG2 3.94Å
17	N	95.4	Very high	97.7	Very high	106 Å²	106	63 Å²	63	57%	0.567	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	36.4	-175.2	-62.2	-15.8	0	0	0	113.4	I19 D103	N17-I19 VanDerWaalsContact C-N 3.26Å; N17-I19 PolarHBondContact O-N 3.4Å; N17-D103 PolarHBondContact ND2-OD2 2.9Å
18	G	96.4	Very high	97.9	Very high	70 Å²	70	62.6 Å²	62.6	72%	0.722	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	1	-177.3	0	0	0	0	0	114.9	S15 I16	S15-G18 WeakPolarHBondContact OG-CA 3.41Å; I16-G18 PolarHBondContact O-N 3.1Å
19	I	98	Very high	97.8	Very high	39 Å²	39	61.5 Å²	61.5	20%	0.2	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.6	179.8	-51.9	-179.9	0	0	0	109.5	S15 I16 N17 T21 Q38 K102 D103	S15-I19 WeakPolarHBondContact CA-O 3.39Å; I16-I19 PolarHBondContact N-O 3.17Å; I16-I19 WeakPolarHBondContact O-CB 3.37Å; I16-I19 PolarHBondContact O-N 2.88Å; N17-I19 VanDerWaalsContact C-N 3.26Å; N17-I19 PolarHBondContact O-N 3.4Å; I19-T21 PolarHBondContact O-N 3.37Å; I19-T21 PolarHBondContact O-OG1 3.1Å; I19-T21 VanDerWaalsContact O-OG1 3.1Å; I19-Q38 HydrophobicContact CG2-CB 3.74Å; I19-Q38 HydrophobicContact CG2-CG 3.84Å; I19-K102 HydrophobicContact CD1-CB 3.82Å; I19-K102 HydrophobicContact CG2-CB 4.49Å; I19-K102 HydrophobicContact CG2-CD 3.93Å; I19-D103 HydrophobicContact CD1-CB 3.86Å
20	S	98	Very high	97.7	Very high	54 Å²	54	63.3 Å²	63.3	38%	0.378	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	123.7	170.9	171.6	0	0	0	0	109.9	E13 Q38	E13-S20 VanDerWaalsContact CD-OG 3.29Å; E13-S20 WeakPolarHBondContact CG-OG 3.4Å; E13-S20 PolarHBondContact OE1-OG 2.64Å; S20-Q38 WeakPolarHBondContact O-CA 3.38Å
21	T	98.4	Very high	97.7	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.7	-177	-53.7	0	0	0	0	108.7	E13 K14 I16 I19 L36 T37 Q38 M112	E13-T21 WeakPolarHBondContact CA-O 3.32Å; K14-T21 PolarHBondContact N-O 2.9Å; K14-T21 WeakPolarHBondContact O-CA 3.49Å; K14-T21 WeakPolarHBondContact O-CB 3.48Å; K14-T21 PolarHBondContact O-N 2.92Å; I16-T21 HydrophobicContact CD1-CG2 3.95Å; I19-T21 PolarHBondContact O-N 3.37Å; I19-T21 PolarHBondContact O-OG1 3.1Å; I19-T21 VanDerWaalsContact O-OG1 3.1Å; T21-L36 HydrophobicContact CG2-CD1 3.48Å; T21-L36 VanDerWaalsContact CG2-CD1 3.48Å; T21-T37 WeakPolarHBondContact CA-O 3.23Å; T21-Q38 HydrophobicContact CG2-CG 3.99Å; T21-Q38 WeakPolarHBondContact OG1-CG 3.36Å; T21-Q38 PolarHBondContact OG1-NE2 2.93Å; T21-M112 HydrophobicContact CG2-CG 4.47Å
22	Q	98.6	Very high	97.7	Very high	76 Å²	76	53.6 Å²	53.6	36%	0.355	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.3	179	-66.8	176.7	-28.7	0	0	109.9	E13 L36 T37	E13-Q22 HydrophobicContact CB-CG 4.09Å; E13-Q22 HydrophobicContact CG-CG 3.77Å; E13-Q22 PolarHBondContact OE2-NE2 2.9Å; Q22-L36 WeakPolarHBondContact O-CA 3.44Å; Q22-T37 HydrophobicContact CB-CG2 3.9Å; Q22-T37 PolarHBondContact N-O 2.95Å; Q22-T37 PolarHBondContact O-N 2.86Å
23	V	98.7	Very high	97.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.2	176.2	179.8	0	0	0	0	109.8	Q11 T12 V35 L36 V115 I116 C119	Q11-V23 CarbonylContact C-O 3.59Å; Q11-V23 WeakPolarHBondContact CA-O 3.41Å; T12-V23 HydrophobicContact CG2-CB 4.33Å; T12-V23 PolarHBondContact N-O 3.2Å; T12-V23 PolarHBondContact O-N 2.94Å; V23-V35 CarbonylContact C-O 3.54Å; V23-V35 VanDerWaalsContact CA-O 3.25Å; V23-V35 WeakPolarHBondContact CA-O 3.23Å; V23-L36 HydrophobicContact CG2-CD1 3.49Å; V23-L36 VanDerWaalsContact CG2-CD1 3.49Å; V23-V115 HydrophobicContact CB-CG1 4.09Å; V23-V115 HydrophobicContact CG2-CB 4.23Å; V23-V115 HydrophobicContact CG2-CG1 3.6Å; V23-I116 HydrophobicContact CG1-CG1 3.99Å; V23-I116 HydrophobicContact CG2-CG1 4.42Å; V23-C119 HydrophobicContact CG1-CB 4.31Å
24	V	98.6	Very high	97.8	Very high	42 Å²	42	48.4 Å²	48.4	26%	0.255	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130	168.1	-174.3	0	0	0	0	107.9	K10 Q11 I34 V35	K10-V24 WeakPolarHBondContact O-CA 3.2Å; Q11-V24 HydrophobicContact CB-CB 4.43Å; Q11-V24 HydrophobicContact CB-CG1 4.42Å; Q11-V24 HydrophobicContact CB-CG2 3.89Å; V24-I34 CarbonylContact O-C 3.52Å; V24-I34 VanDerWaalsContact O-CA 3.26Å; V24-I34 WeakPolarHBondContact O-CA 3.01Å; V24-V35 HydrophobicContact CB-CB 4.3Å; V24-V35 PolarHBondContact N-O 2.81Å; V24-V35 PolarHBondContact O-N 2.87Å
25	C	98.7	Very high	97.8	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.4	172.9	-63.1	0	0	0	0	109	S9 K10 F33 C119 V121 W122	S9-C25 WeakPolarHBondContact CA-O 3.49Å; S9-C25 PolarHBondContact OG-O 2.63Å; K10-C25 PolarHBondContact N-O 3.31Å; K10-C25 PolarHBondContact O-N 2.86Å; C25-F33 CarbonylContact C-O 3.18Å; C25-F33 WeakPolarHBondContact CA-O 3.47Å; C25-C119 HydrophobicContact CB-CB 4.04Å; C25-C119 WeakPolarHBondContact CB-O 3.17Å; C25-V121 HydrophobicContact CB-CG2 3.84Å; C25-W122 HydrophobicContact CB-CZ3 4.34Å
26	T	98.6	Very high	97.8	Very high	17 Å²	17	40.8 Å²	40.8	10%	0.104	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.3	-179.1	-53.6	0	0	0	0	109.6	I7 R8 S9 F28 F33	I7-T26 HydrophobicContact CG2-CG2 3.34Å; R8-T26 WeakPolarHBondContact O-CA 3.45Å; S9-T26 PolarHBondContact OG-OG1 2.8Å; T26-F28 HydrophobicContact CG2-CD2 4.42Å; T26-F28 HydrophobicContact CG2-CE2 3.76Å; T26-F28 HydrophobicContact CG2-CZ 3.98Å; T26-F33 PolarHBondContact N-O 2.79Å; T26-F33 PolarHBondContact O-N 2.95Å
27	E	97.8	Very high	97.9	Very high	31 Å²	31	40.9 Å²	40.9	15%	0.145	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.5	-178.2	-175.2	-166	-150.3	0	0	111.6	I7 R8 I32 R93 V121	I7-E27 VanDerWaalsContact CG2-O 3.29Å; I7-E27 WeakPolarHBondContact CG2-O 3.19Å; R8-E27 HydrophobicContact CB-CB 4.48Å; R8-E27 IonicContact CZ-OE2 3.09Å; R8-E27 IonicContact NE-OE2 2.66Å; R8-E27 PolarHBondContact NE-OE2 2.97Å; R8-E27 IonicContact NH2-OE1 2.82Å; R8-E27 PolarHBondContact NH2-OE1 2.94Å; R8-E27 VanDerWaalsContact NH2-OE1 3.09Å; R8-E27 IonicContact NH2-OE2 3.37Å; R8-E27 PolarHBondContact NH2-OE2 2.77Å; R8-E27 PolarHBondContact O-N 2.58Å; E27-I32 HydrophobicContact CB-CD1 4.21Å; E27-I32 HydrophobicContact CG-CD1 3.76Å; E27-R93 VanDerWaalsContact CG-NH1 3.35Å; E27-R93 IonicContact OE1-CZ 2.94Å; E27-R93 IonicContact OE1-NH1 2.87Å; E27-R93 PolarHBondContact OE1-NH1 2.91Å; E27-R93 IonicContact OE1-NH2 2.65Å; E27-R93 PolarHBondContact OE1-NH2 2.87Å; E27-V121 HydrophobicContact CB-CB 4.23Å; E27-V121 HydrophobicContact CB-CG2 3.93Å
28	F	97.5	Very high	98	Very high	58 Å²	58	36.2 Å²	36.2	25%	0.254	21%	0.213	S	C	.	.			trans	-106.2	166.3	166.4	-63.2	-87.2	0	0	0	110.6	I7 T26 N30 Y31 F33 R93	I7-F28 HydrophobicContact CD1-CD1 4.03Å; I7-F28 HydrophobicContact CD1-CE1 3.58Å; I7-F28 HydrophobicContact CD1-CZ 4.44Å; T26-F28 HydrophobicContact CG2-CD2 4.42Å; T26-F28 HydrophobicContact CG2-CE2 3.76Å; T26-F28 HydrophobicContact CG2-CZ 3.98Å; F28-N30 PolarHBondContact O-N 3.33Å; F28-Y31 WeakPolarHBondContact CA-O 3.25Å; F28-Y31 HydrophobicContact CB-CD1 4.09Å; F28-Y31 HydrophobicContact CB-CE1 3.88Å; F28-Y31 HydrophobicContact CB-CE2 4.49Å; F28-Y31 HydrophobicContact CB-CG 4.43Å; F28-Y31 WeakPolarHBondContact CB-O 3.42Å; F28-Y31 HydrophobicContact CD2-CD2 4.02Å; F28-Y31 HydrophobicContact CD2-CE1 4.15Å; F28-Y31 AromaticContact CD2-CE2 3.42Å; F28-Y31 HydrophobicContact CD2-CE2 3.42Å; F28-Y31 VanDerWaalsContact CD2-CE2 3.42Å; F28-Y31 AromaticContact CD2-CZ 3.47Å; F28-Y31 VanDerWaalsContact CD2-CZ 3.47Å; F28-Y31 AromaticContact CE2-CE2 3.86Å; F28-Y31 HydrophobicContact CE2-CE2 3.86Å; F28-Y31 AromaticContact CE2-CZ 3.94Å; F28-Y31 HydrophobicContact CG-CE1 4.02Å; F28-Y31 HydrophobicContact CG-CE2 4.13Å; F28-Y31 AromaticContact CG-CZ 3.74Å; F28-Y31 PolarHBondContact N-O 2.84Å; F28-F33 HydrophobicContact CD2-CB 4.19Å; F28-F33 HydrophobicContact CE2-CB 3.81Å; F28-R93 PolarHBondContact O-NH1 3.45Å
29	S	95.4	Very high	97.8	Very high	116 Å²	116	39 Å²	39	81%	0.811	20%	0.203	S	C	*	.	S	Bend	trans	-58.3	-34	-179.6	54.6	0	0	0	0	112.7
30	N	95.6	Very high	97.6	Very high	102 Å²	102	40.1 Å²	40.1	55%	0.545	22%	0.224	S	C	.	.	S	Bend	trans	-117.5	-5.3	-173.1	65.7	-38.3	0	0	0	115.2	F28 P94	F28-N30 PolarHBondContact O-N 3.33Å; N30-P94 WeakPolarHBondContact O-CD 3.24Å
31	Y	98.1	Very high	97.4	Very high	65 Å²	65	44.9 Å²	44.9	26%	0.255	24%	0.238	S	C	.	.			trans	-158.3	163.7	175.1	64.3	-82.8	0	0	0	112	F28 F33 P94 L96	F28-Y31 WeakPolarHBondContact CA-O 3.25Å; F28-Y31 HydrophobicContact CB-CD1 4.09Å; F28-Y31 HydrophobicContact CB-CE1 3.88Å; F28-Y31 HydrophobicContact CB-CE2 4.49Å; F28-Y31 HydrophobicContact CB-CG 4.43Å; F28-Y31 WeakPolarHBondContact CB-O 3.42Å; F28-Y31 HydrophobicContact CD2-CD2 4.02Å; F28-Y31 HydrophobicContact CD2-CE1 4.15Å; F28-Y31 AromaticContact CD2-CE2 3.42Å; F28-Y31 HydrophobicContact CD2-CE2 3.42Å; F28-Y31 VanDerWaalsContact CD2-CE2 3.42Å; F28-Y31 AromaticContact CD2-CZ 3.47Å; F28-Y31 VanDerWaalsContact CD2-CZ 3.47Å; F28-Y31 AromaticContact CE2-CE2 3.86Å; F28-Y31 HydrophobicContact CE2-CE2 3.86Å; F28-Y31 AromaticContact CE2-CZ 3.94Å; F28-Y31 HydrophobicContact CG-CE1 4.02Å; F28-Y31 HydrophobicContact CG-CE2 4.13Å; F28-Y31 AromaticContact CG-CZ 3.74Å; F28-Y31 PolarHBondContact N-O 2.84Å; Y31-F33 HydrophobicContact CD2-CB 4.33Å; Y31-F33 HydrophobicContact CE2-CB 3.98Å; Y31-P94 CarbonylContact C-O 3.58Å; Y31-P94 WeakPolarHBondContact CA-O 3.36Å; Y31-P94 VanDerWaalsContact CB-O 3.23Å; Y31-P94 WeakPolarHBondContact CB-O 3.42Å; Y31-L96 HydrophobicContact CD2-CB 3.99Å; Y31-L96 HydrophobicContact CE2-CB 4.27Å; Y31-L96 HydrophobicContact CE2-CD2 4.2Å
32	I	98.6	Very high	97.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.7	167.2	-50.3	-56.1	0	0	0	108.4	E27 I34 V86 A90 P94 V95 L96 W122	E27-I32 HydrophobicContact CB-CD1 4.21Å; E27-I32 HydrophobicContact CG-CD1 3.76Å; I32-I34 HydrophobicContact CG2-CD1 4.46Å; I32-I34 HydrophobicContact CG2-CG1 4.07Å; I32-V86 HydrophobicContact CB-CG1 4.13Å; I32-V86 HydrophobicContact CG1-CG1 4.14Å; I32-V86 HydrophobicContact CG2-CG1 3.97Å; I32-A90 HydrophobicContact CD1-CB 4.09Å; I32-A90 HydrophobicContact CG1-CB 3.76Å; I32-P94 PolarHBondContact N-O 3.31Å; I32-V95 HydrophobicContact CB-CG2 4.41Å; I32-V95 CarbonylContact O-C 3.54Å; I32-V95 WeakPolarHBondContact O-CA 3.47Å; I32-L96 PolarHBondContact O-N 2.85Å; I32-W122 HydrophobicContact CD1-CB 3.89Å; I32-W122 HydrophobicContact CG1-CB 4.44Å; I32-W122 HydrophobicContact CG2-CE3 4.04Å; I32-W122 HydrophobicContact CG2-CZ3 4.38Å
33	F	98.7	Very high	97.1	Very high	47 Å²	47	47 Å²	47	21%	0.206	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.3	172.5	-177	-133.6	0	0	0	109.9	C25 T26 F28 Y31 V35 I42 L45 L96	C25-F33 CarbonylContact C-O 3.18Å; C25-F33 WeakPolarHBondContact CA-O 3.47Å; T26-F33 PolarHBondContact N-O 2.79Å; T26-F33 PolarHBondContact O-N 2.95Å; F28-F33 HydrophobicContact CD2-CB 4.19Å; F28-F33 HydrophobicContact CE2-CB 3.81Å; Y31-F33 HydrophobicContact CD2-CB 4.33Å; Y31-F33 HydrophobicContact CE2-CB 3.98Å; F33-V35 HydrophobicContact CE1-CG2 3.72Å; F33-V35 HydrophobicContact CE2-CG2 4.18Å; F33-V35 HydrophobicContact CZ-CG2 3.49Å; F33-V35 VanDerWaalsContact CZ-CG2 3.49Å; F33-I42 HydrophobicContact CZ-CD1 4.21Å; F33-L45 HydrophobicContact CE2-CD1 4.25Å; F33-L96 WeakPolarHBondContact CA-O 3.37Å; F33-L96 HydrophobicContact CD2-CB 3.99Å; F33-L96 HydrophobicContact CD2-CD2 3.82Å; F33-L96 HydrophobicContact CD2-CG 3.83Å; F33-L96 VanDerWaalsContact CD2-O 3.31Å; F33-L96 WeakPolarHBondContact CD2-O 3.47Å; F33-L96 HydrophobicContact CE2-CD2 4.08Å; F33-L96 HydrophobicContact CE2-CG 4.12Å
34	I	98.8	Very high	97	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.9	177.3	-58.9	-179.3	0	0	0	109.1	V24 I32 V86 V95 L96 L97 G98 I116	V24-I34 CarbonylContact O-C 3.52Å; V24-I34 VanDerWaalsContact O-CA 3.26Å; V24-I34 WeakPolarHBondContact O-CA 3.01Å; I32-I34 HydrophobicContact CG2-CD1 4.46Å; I32-I34 HydrophobicContact CG2-CG1 4.07Å; I34-V86 HydrophobicContact CD1-CB 4.29Å; I34-V86 HydrophobicContact CD1-CG1 4.02Å; I34-V86 HydrophobicContact CD1-CG2 3.84Å; I34-V95 HydrophobicContact CD1-CG1 3.98Å; I34-V95 HydrophobicContact CG1-CG1 4.22Å; I34-L96 PolarHBondContact N-O 3.35Å; I34-L97 HydrophobicContact CB-CD1 3.78Å; I34-L97 HydrophobicContact CG2-CD1 3.63Å; I34-L97 CarbonylContact O-C 3.56Å; I34-L97 WeakPolarHBondContact O-CA 3.42Å; I34-G98 PolarHBondContact O-N 3.47Å; I34-I116 HydrophobicContact CD1-CG2 3.97Å
35	V	98.6	Very high	97	Very high	26 Å²	26	47.2 Å²	47.2	16%	0.158	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.5	163.8	-179.1	0	0	0	0	107.7	V23 V24 F33 T37	V23-V35 CarbonylContact C-O 3.54Å; V23-V35 VanDerWaalsContact CA-O 3.25Å; V23-V35 WeakPolarHBondContact CA-O 3.23Å; V24-V35 HydrophobicContact CB-CB 4.3Å; V24-V35 PolarHBondContact N-O 2.81Å; V24-V35 PolarHBondContact O-N 2.87Å; F33-V35 HydrophobicContact CE1-CG2 3.72Å; F33-V35 HydrophobicContact CE2-CG2 4.18Å; F33-V35 HydrophobicContact CZ-CG2 3.49Å; F33-V35 VanDerWaalsContact CZ-CG2 3.49Å; V35-T37 HydrophobicContact CG1-CG2 4.33Å
36	L	98.5	Very high	97	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	108.8	174.4	172.3	65.9	0	0	0	108.4	T21 Q22 V23 L82 L97 G98 L99 A100 L101 M112 I116	T21-L36 HydrophobicContact CG2-CD1 3.48Å; T21-L36 VanDerWaalsContact CG2-CD1 3.48Å; Q22-L36 WeakPolarHBondContact O-CA 3.44Å; V23-L36 HydrophobicContact CG2-CD1 3.49Å; V23-L36 VanDerWaalsContact CG2-CD1 3.49Å; L36-L82 HydrophobicContact CD2-CD1 3.62Å; L36-L82 HydrophobicContact CD2-CD2 4.2Å; L36-L97 HydrophobicContact CB-CD1 4.39Å; L36-G98 PolarHBondContact N-O 2.69Å; L36-L99 HydrophobicContact CB-CD1 4.48Å; L36-L99 HydrophobicContact CD2-CD1 3.84Å; L36-L99 HydrophobicContact CG-CD1 4.36Å; L36-A100 PolarHBondContact O-N 3.47Å; L36-L101 HydrophobicContact CD2-CD2 3.93Å; L36-L101 HydrophobicContact CG-CD2 3.88Å; L36-M112 HydrophobicContact CD1-CB 4.4Å; L36-M112 HydrophobicContact CD1-CG 4.15Å; L36-M112 HydrophobicContact CD1-SD 4.43Å; L36-M112 HydrophobicContact CD2-CB 4.2Å; L36-M112 HydrophobicContact CD2-CG 4.29Å; L36-M112 HydrophobicContact CD2-SD 3.88Å; L36-I116 HydrophobicContact CD2-CD1 4.43Å
37	T	98.3	Very high	97	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.055	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	138.7	-171.7	-170.6	0	0	0	0	114.2	T21 Q22 V35 Y39 G40 K41 A100	T21-T37 WeakPolarHBondContact CA-O 3.23Å; Q22-T37 HydrophobicContact CB-CG2 3.9Å; Q22-T37 PolarHBondContact N-O 2.95Å; Q22-T37 PolarHBondContact O-N 2.86Å; V35-T37 HydrophobicContact CG1-CG2 4.33Å; T37-Y39 PolarHBondContact OG1-N 3.44Å; T37-G40 PolarHBondContact OG1-N 3.42Å; T37-K41 VanDerWaalsContact CB-O 3.23Å; T37-K41 WeakPolarHBondContact CB-O 3.47Å; T37-K41 PolarHBondContact OG1-N 2.97Å; T37-K41 PolarHBondContact OG1-O 2.94Å; T37-A100 CarbonylContact C-O 3.47Å; T37-A100 WeakPolarHBondContact CA-O 3.48Å; T37-A100 WeakPolarHBondContact OG1-CB 3.3Å
38	Q	97.9	Very high	97	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.037	26%	0.257	C	S	.	.	S	Bend	trans	-117.3	1.8	171.9	-66.8	-176.1	-36.6	0	0	112.4	I19 S20 T21 A100 L101 K102 D103 M112	I19-Q38 HydrophobicContact CG2-CB 3.74Å; I19-Q38 HydrophobicContact CG2-CG 3.84Å; S20-Q38 WeakPolarHBondContact O-CA 3.38Å; T21-Q38 HydrophobicContact CG2-CG 3.99Å; T21-Q38 WeakPolarHBondContact OG1-CG 3.36Å; T21-Q38 PolarHBondContact OG1-NE2 2.93Å; Q38-A100 PolarHBondContact N-O 3.26Å; Q38-L101 HydrophobicContact CG-CD2 4.42Å; Q38-K102 HydrophobicContact CB-CB 4.41Å; Q38-K102 HydrophobicContact CB-CD 4.32Å; Q38-K102 HydrophobicContact CB-CG 4.26Å; Q38-K102 WeakPolarHBondContact O-CE 3.09Å; Q38-K102 PolarHBondContact O-NZ 2.91Å; Q38-D103 VanDerWaalsContact OE1-N 3.13Å; Q38-M112 VanDerWaalsContact NE2-CE 3.27Å
39	Y	93.4	Very high	97	Very high	130 Å²	130	46 Å²	46	51%	0.51	26%	0.261	S	S	.	.	S	Bend	trans	-115.4	-5	179.8	-69.8	-79.5	0	0	0	113.4	T37 K41 A100 L101 K102	T37-Y39 PolarHBondContact OG1-N 3.44Å; Y39-K41 PolarHBondContact O-N 2.86Å; Y39-A100 HydrophobicContact CD2-CB 4.08Å; Y39-L101 VanDerWaalsContact CE2-C 3.47Å; Y39-L101 VanDerWaalsContact CE2-O 3.32Å; Y39-L101 WeakPolarHBondContact CE2-O 3.16Å; Y39-K102 HydrophobicContact CD1-CD 4.38Å; Y39-K102 HydrophobicContact CD1-CG 4.1Å; Y39-K102 HydrophobicContact CD2-CG 4.19Å; Y39-K102 HydrophobicContact CE1-CD 4.05Å; Y39-K102 HydrophobicContact CE1-CG 3.47Å; Y39-K102 VanDerWaalsContact CE1-CG 3.47Å; Y39-K102 HydrophobicContact CE2-CB 4.48Å; Y39-K102 HydrophobicContact CE2-CG 3.62Å; Y39-K102 HydrophobicContact CG-CG 4.43Å; Y39-K102 WeakPolarHBondContact OH-CG 3.37Å
40	G	92.3	Very high	96.9	Very high	62 Å²	62	41.7 Å²	41.7	64%	0.639	23%	0.23	S	C	*	.	S	Bend	trans	68.8	18.8	-169.9	0	0	0	0	0	113.3	T37	T37-G40 PolarHBondContact OG1-N 3.42Å
41	K	94.6	Very high	96.4	Very high	153 Å²	153	39.2 Å²	39.2	67%	0.665	22%	0.216	S	C	*	.	S	Bend	trans	-123.9	154.4	177.3	-60.9	-178.3	-177.3	-179.5	0	109.6	T37 Y39 G43 A100	T37-K41 VanDerWaalsContact CB-O 3.23Å; T37-K41 WeakPolarHBondContact CB-O 3.47Å; T37-K41 PolarHBondContact OG1-N 2.97Å; T37-K41 PolarHBondContact OG1-O 2.94Å; Y39-K41 PolarHBondContact O-N 2.86Å; K41-G43 PolarHBondContact O-N 3.42Å; K41-A100 WeakPolarHBondContact O-CB 3.27Å
42	I	94.1	Very high	95	Very high	85 Å²	85	41.9 Å²	41.9	44%	0.436	25%	0.245	S	C	.	.			trans	-63.9	-29.9	176.6	-164.4	168.3	0	0	0	112.9	F33 L45 G98 L99	F33-I42 HydrophobicContact CZ-CD1 4.21Å; I42-L45 HydrophobicContact CD1-CD1 4.19Å; I42-G98 CarbonylContact O-C 3.58Å; I42-G98 WeakPolarHBondContact O-CA 3.29Å; I42-L99 PolarHBondContact O-N 2.95Å; I42-L99 VanDerWaalsContact O-N 3.1Å
43	G	95.9	Very high	93.3	Very high	36 Å²	36	52.3 Å²	52.3	37%	0.371	28%	0.284	S	S	.	.			trans	73.2	-143.8	-179.9	0	0	0	0	0	113.4	K41 L99	K41-G43 PolarHBondContact O-N 3.42Å; G43-L99 CarbonylContact C-O 3.58Å; G43-L99 WeakPolarHBondContact CA-O 3.47Å
44	T	98.1	Very high	91.3	Very high	22 Å²	22	51.5 Å²	51.5	14%	0.135	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	128	177.2	-59.1	0	0	0	0	109.3	V46 V66 L68 T75 L99	T44-V46 HydrophobicContact CG2-CG2 4.04Å; T44-V66 HydrophobicContact CG2-CG1 3.59Å; T44-V66 HydrophobicContact CG2-CG2 4.17Å; T44-L68 CarbonylContact C-O 3.58Å; T44-L68 WeakPolarHBondContact CA-O 3.44Å; T44-L68 VanDerWaalsContact CG2-O 3.3Å; T44-L68 WeakPolarHBondContact CG2-O 3.47Å; T44-T75 HydrophobicContact CG2-CG2 3.86Å; T44-L99 PolarHBondContact N-O 3.43Å; T44-L99 PolarHBondContact O-N 2.92Å
45	L	98.6	Very high	89.1	Confident	24 Å²	24	54.9 Å²	54.9	13%	0.126	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.3	178.7	-167.2	68.9	0	0	0	109.4	F33 I42 L67 L68 L96 L97	F33-L45 HydrophobicContact CE2-CD1 4.25Å; I42-L45 HydrophobicContact CD1-CD1 4.19Å; L45-L67 HydrophobicContact CD2-CB 4.37Å; L45-L67 HydrophobicContact CD2-CD1 4.4Å; L45-L67 PolarHBondContact O-N 2.8Å; L45-L68 HydrophobicContact CB-CB 4.02Å; L45-L68 HydrophobicContact CD2-CD1 4.14Å; L45-L68 PolarHBondContact N-O 3.39Å; L45-L68 PolarHBondContact O-N 3.1Å; L45-L96 HydrophobicContact CD1-CD1 3.88Å; L45-L96 HydrophobicContact CD1-CD2 4.45Å; L45-L96 HydrophobicContact CD1-CG 3.97Å; L45-L96 HydrophobicContact CD2-CD1 4.12Å; L45-L96 HydrophobicContact CG-CD1 3.79Å; L45-L96 HydrophobicContact CG-CG 4.42Å; L45-L97 CarbonylContact C-O 3.55Å; L45-L97 WeakPolarHBondContact CA-O 3.44Å
46	V	98.6	Very high	87	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.2	-174.3	-167.7	0	0	0	0	109.9	T44 V48 K65 V66 T75 A79 L97	T44-V46 HydrophobicContact CG2-CG2 4.04Å; V46-V48 HydrophobicContact CG1-CG2 4.38Å; V46-K65 WeakPolarHBondContact CA-O 3.45Å; V46-V66 HydrophobicContact CG2-CG2 4.32Å; V46-T75 HydrophobicContact CG2-CG2 3.68Å; V46-A79 HydrophobicContact CB-CB 4Å; V46-A79 HydrophobicContact CG1-CB 3.71Å; V46-A79 HydrophobicContact CG2-CB 4.19Å; V46-L97 PolarHBondContact N-O 2.84Å; V46-L97 PolarHBondContact O-N 3.5Å
47	S	98.3	Very high	85	Confident	28 Å²	28	65.8 Å²	65.8	20%	0.196	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.5	166.9	173.5	0	0	0	0	109.4	T49 T64 K65	S47-T49 PolarHBondContact OG-OG1 2.83Å; S47-T64 CarbonylContact O-C 3.54Å; S47-T64 VanDerWaalsContact O-CA 3.26Å; S47-T64 WeakPolarHBondContact O-CA 3.29Å; S47-K65 PolarHBondContact N-O 2.85Å; S47-K65 PolarHBondContact O-N 3.04Å
48	V	98.1	Very high	83.2	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	113.1	174.2	-171.2	0	0	0	0	108.1	V46 F62 T63 T64 A79 A83 P94 V95	V46-V48 HydrophobicContact CG1-CG2 4.38Å; V48-F62 HydrophobicContact CG1-CB 4.32Å; V48-F62 HydrophobicContact CG1-CD1 3.98Å; V48-F62 HydrophobicContact CG1-CG 4.48Å; V48-T63 WeakPolarHBondContact CA-O 3.32Å; V48-T64 HydrophobicContact CG1-CG2 4.2Å; V48-T64 HydrophobicContact CG2-CG2 4.07Å; V48-A79 HydrophobicContact CG2-CB 4.16Å; V48-A83 HydrophobicContact CB-CB 3.99Å; V48-A83 HydrophobicContact CG1-CB 4.13Å; V48-A83 HydrophobicContact CG2-CB 3.79Å; V48-P94 WeakPolarHBondContact O-CA 3.44Å; V48-V95 HydrophobicContact CB-CB 4.42Å; V48-V95 PolarHBondContact N-O 2.82Å; V48-V95 PolarHBondContact O-N 3.28Å
49	T	96.8	Very high	81.4	Confident	54 Å²	54	75.2 Å²	75.2	33%	0.331	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.3	-169.5	-59	0	0	0	0	109.6	S47 F62 T63 P94	S47-T49 PolarHBondContact OG-OG1 2.83Å; T49-F62 WeakPolarHBondContact O-CA 3.41Å; T49-T63 PolarHBondContact N-O 3.24Å; T49-T63 PolarHBondContact O-N 3.48Å; T49-P94 HydrophobicContact CG2-CG 4.26Å
50	P	93.1	Very high	80.1	Confident	25 Å²	25	70.7 Å²	70.7	16%	0.162	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	138.3	171.5	22.5	-24.8	0	0	0	110.1	S52 M61 F62 N92	P50-S52 PolarHBondContact O-N 2.89Å; P50-M61 CarbonylContact C-O 3.58Å; P50-M61 WeakPolarHBondContact CA-O 3.21Å; P50-F62 HydrophobicContact CB-CD1 4.12Å; P50-F62 HydrophobicContact CB-CE1 3.66Å; P50-F62 HydrophobicContact CB-CZ 4.1Å; P50-F62 HydrophobicContact CG-CE1 4.16Å; P50-N92 HydrophobicContact CB-CB 4.44Å; P50-N92 HydrophobicContact CG-CB 4.07Å; P50-N92 WeakPolarHBondContact CG-O 3.08Å
51	D	84.6	Confident	79.7	Confident	49 Å²	49	71.9 Å²	71.9	26%	0.262	42%	0.415	S	S	.	.			trans	-77	120.5	177.6	-167.4	-14.1	0	0	0	109.3	R53 S54 M61	D51-R53 PolarHBondContact O-N 3.26Å; D51-R53 WeakPolarHBondContact OD1-CB 3.26Å; D51-R53 PolarHBondContact OD1-N 3.34Å; D51-S54 PolarHBondContact O-OG 2.98Å; D51-M61 HydrophobicContact CB-CB 3.97Å; D51-M61 WeakPolarHBondContact CB-O 3.31Å; D51-M61 PolarHBondContact N-O 3.42Å
52	S	69.4	Low	79.7	Confident	122 Å²	122	65.1 Å²	65.1	85%	0.853	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-6.9	179.6	59.1	0	0	0	0	113.3	P50	P50-S52 PolarHBondContact O-N 2.89Å
53	R	62.8	Low	79.7	Confident	219 Å²	219	65 Å²	65	83%	0.826	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.2	-177.2	-64.5	-174.4	142.1	-132.2	-6.1	114.6	D51 G55	D51-R53 PolarHBondContact O-N 3.26Å; D51-R53 WeakPolarHBondContact OD1-CB 3.26Å; D51-R53 PolarHBondContact OD1-N 3.34Å; R53-G55 PolarHBondContact O-N 3.3Å
54	S	57.3	Low	79.7	Confident	30 Å²	30	64.7 Å²	64.7	21%	0.21	38%	0.38	C	S	.	.			trans	-82	59.3	-178.4	65.3	0	0	0	0	112.4	D51 D56	D51-S54 PolarHBondContact O-OG 2.98Å; S54-D56 PolarHBondContact O-N 2.64Å
55	G	51.9	Low	79.7	Confident	70 Å²	70	70 Å²	70	72%	0.722	40%	0.402	S	S	*	.	S	Bend	trans	-66.3	-8.9	179	0	0	0	0	0	115.3	R53	R53-G55 PolarHBondContact O-N 3.3Å
56	D	53.9	Low	79.7	Confident	167 Å²	167	69.6 Å²	69.6	89%	0.893	40%	0.4	S	S	*	.	S	Bend	trans	-144.9	9.3	-169.9	-102	-26.3	0	0	0	115.3	S54	S54-D56 PolarHBondContact O-N 2.64Å
57	I	58.2	Low	79.7	Confident	89 Å²	89	73.4 Å²	73.4	46%	0.456	42%	0.42	S	S	.	.			trans	-110.7	126.2	179.8	-63.6	165.3	0	0	0	108.9	T59 M61	I57-T59 WeakPolarHBondContact CG2-O 3.29Å; I57-T59 PolarHBondContact O-N 2.88Å; I57-M61 HydrophobicContact CD1-CE 3.74Å
58	S	59.9	Low	79.7	Confident	126 Å²	126	77.5 Å²	77.5	88%	0.881	44%	0.439	S	S	*	.	S	Bend	trans	-58.5	-9.8	-179.9	57.4	0	0	0	0	114.7
59	T	59.8	Low	79.6	Confident	88 Å²	88	80.4 Å²	80.4	54%	0.54	47%	0.469	S	S	.	.	S	Bend	trans	-124.6	120.6	174	52.7	0	0	0	0	110.4	I57 M61	I57-T59 WeakPolarHBondContact CG2-O 3.29Å; I57-T59 PolarHBondContact O-N 2.88Å; T59-M61 PolarHBondContact O-N 3.16Å
60	P	65.4	Low	79.4	Confident	36 Å²	36	84.6 Å²	84.6	23%	0.234	48%	0.483	C	S	.	.			trans	-58.1	130.6	175.4	-19.4	27.9	0	0	0	110.6	F62	P60-F62 HydrophobicContact CB-CE2 3.78Å; P60-F62 HydrophobicContact CB-CZ 4.16Å; P60-F62 HydrophobicContact CG-CE2 4.49Å; P60-F62 VanDerWaalsContact O-CD2 3.22Å; P60-F62 WeakPolarHBondContact O-CD2 3.45Å; P60-F62 WeakPolarHBondContact O-CE2 3.37Å
61	M	85.4	Confident	79.4	Confident	86 Å²	86	89.6 Å²	89.6	42%	0.424	50%	0.504	S	S	.	.			trans	-74.9	143.2	170.3	-77.7	-175.3	-77.8	0	0	109.2	P50 D51 I57 T59	P50-M61 CarbonylContact C-O 3.58Å; P50-M61 WeakPolarHBondContact CA-O 3.21Å; D51-M61 HydrophobicContact CB-CB 3.97Å; D51-M61 WeakPolarHBondContact CB-O 3.31Å; D51-M61 PolarHBondContact N-O 3.42Å; I57-M61 HydrophobicContact CD1-CE 3.74Å; T59-M61 PolarHBondContact O-N 3.16Å
62	F	92.6	Very high	79.9	Confident	11 Å²	11	91.3 Å²	91.3	5%	0.048	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132	179.2	-72.9	-91.5	0	0	0	111	V48 T49 P50 P60 K80 T84 S87 Q88	V48-F62 HydrophobicContact CG1-CB 4.32Å; V48-F62 HydrophobicContact CG1-CD1 3.98Å; V48-F62 HydrophobicContact CG1-CG 4.48Å; T49-F62 WeakPolarHBondContact O-CA 3.41Å; P50-F62 HydrophobicContact CB-CD1 4.12Å; P50-F62 HydrophobicContact CB-CE1 3.66Å; P50-F62 HydrophobicContact CB-CZ 4.1Å; P50-F62 HydrophobicContact CG-CE1 4.16Å; P60-F62 HydrophobicContact CB-CE2 3.78Å; P60-F62 HydrophobicContact CB-CZ 4.16Å; P60-F62 HydrophobicContact CG-CE2 4.49Å; P60-F62 VanDerWaalsContact O-CD2 3.22Å; P60-F62 WeakPolarHBondContact O-CD2 3.45Å; P60-F62 WeakPolarHBondContact O-CE2 3.37Å; F62-K80 HydrophobicContact CB-CD 4.38Å; F62-K80 HydrophobicContact CB-CG 4.39Å; F62-K80 PolarHBondContact O-NZ 3.44Å; F62-T84 HydrophobicContact CD2-CG2 3.79Å; F62-T84 HydrophobicContact CE2-CG2 3.46Å; F62-T84 VanDerWaalsContact CE2-CG2 3.46Å; F62-T84 HydrophobicContact CZ-CG2 4.04Å; F62-S87 WeakPolarHBondContact CE1-OG 3.44Å; F62-Q88 HydrophobicContact CE2-CG 4.22Å; F62-Q88 HydrophobicContact CZ-CG 3.91Å
63	T	94.7	Very high	81	Confident	83 Å²	83	89.4 Å²	89.4	51%	0.509	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	143.2	170.5	-53.8	0	0	0	0	109.4	V48 T49	V48-T63 WeakPolarHBondContact CA-O 3.32Å; T49-T63 PolarHBondContact N-O 3.24Å; T49-T63 PolarHBondContact O-N 3.48Å
64	T	96.6	Very high	82.5	Confident	29 Å²	29	83.3 Å²	83.3	18%	0.178	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.1	174.6	52.8	0	0	0	0	109.6	S47 V48 H76 K80	S47-T64 CarbonylContact O-C 3.54Å; S47-T64 VanDerWaalsContact O-CA 3.26Å; S47-T64 WeakPolarHBondContact O-CA 3.29Å; V48-T64 HydrophobicContact CG1-CG2 4.2Å; V48-T64 HydrophobicContact CG2-CG2 4.07Å; T64-H76 WeakPolarHBondContact OG1-CB 3.18Å; T64-H76 PolarHBondContact OG1-ND1 3.35Å; T64-K80 HydrophobicContact CG2-CB 3.9Å
65	K	97.9	Very high	84.3	Confident	134 Å²	134	82.6 Å²	82.6	58%	0.583	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.1	122	177.2	-176.7	179.1	179.5	179.2	0	109.6	V46 S47 L67	V46-K65 WeakPolarHBondContact CA-O 3.45Å; S47-K65 PolarHBondContact N-O 2.85Å; S47-K65 PolarHBondContact O-N 3.04Å; K65-L67 HydrophobicContact CD-CD2 3.95Å; K65-L67 HydrophobicContact CG-CD2 4.02Å; K65-L67 PolarHBondContact O-N 3.1Å
66	V	98.3	Very high	86.4	Confident	16 Å²	16	81.1 Å²	81.1	10%	0.097	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.5	170.1	176	0	0	0	0	108.2	T44 V46 E71 T75	T44-V66 HydrophobicContact CG2-CG1 3.59Å; T44-V66 HydrophobicContact CG2-CG2 4.17Å; V46-V66 HydrophobicContact CG2-CG2 4.32Å; V66-E71 HydrophobicContact CB-CB 4.2Å; V66-E71 HydrophobicContact CB-CG 4.04Å; V66-E71 HydrophobicContact CG1-CB 4.33Å; V66-E71 HydrophobicContact CG2-CB 4.27Å; V66-E71 HydrophobicContact CG2-CG 3.91Å; V66-T75 HydrophobicContact CG2-CG2 4.31Å
67	L	98.4	Very high	88.3	Confident	79 Å²	79	77.6 Å²	77.6	41%	0.414	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-36.1	-178.9	-58.5	-178.3	0	0	0	111.5	L45 K65 L96	L45-L67 HydrophobicContact CD2-CB 4.37Å; L45-L67 HydrophobicContact CD2-CD1 4.4Å; L45-L67 PolarHBondContact O-N 2.8Å; K65-L67 HydrophobicContact CD-CD2 3.95Å; K65-L67 HydrophobicContact CG-CD2 4.02Å; K65-L67 PolarHBondContact O-N 3.1Å; L67-L96 HydrophobicContact CD1-CD1 3.7Å
68	L	98.1	Very high	90.1	Very high	115 Å²	115	73.8 Å²	73.8	60%	0.602	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.8	145	178.4	-66.6	173	0	0	0	109.4	T44 L45	T44-L68 CarbonylContact C-O 3.58Å; T44-L68 WeakPolarHBondContact CA-O 3.44Å; T44-L68 VanDerWaalsContact CG2-O 3.3Å; T44-L68 WeakPolarHBondContact CG2-O 3.47Å; L45-L68 HydrophobicContact CB-CB 4.02Å; L45-L68 HydrophobicContact CD2-CD1 4.14Å; L45-L68 PolarHBondContact N-O 3.39Å; L45-L68 PolarHBondContact O-N 3.1Å
69	G	96.4	Very high	91.9	Very high	60 Å²	60	67.8 Å²	67.8	62%	0.619	38%	0.377	S	S	*	.	S	Bend	trans	99.2	-170.2	-178.1	0	0	0	0	0	112.5
70	K	92.8	Very high	93.6	Very high	143 Å²	143	67.8 Å²	67.8	62%	0.622	37%	0.369	S	S	*	.			trans	-79.7	132.6	-178	-166.6	-179.8	177.5	-166.3	0	109.9	E72	K70-E72 HydrophobicContact CD-CG 3.92Å; K70-E72 VanDerWaalsContact CD-OE1 3.23Å; K70-E72 WeakPolarHBondContact CD-OE1 3.29Å; K70-E72 WeakPolarHBondContact CE-OE1 3.18Å; K70-E72 HydrophobicContact CG-CG 3.91Å; K70-E72 IonicContact NZ-OE1 2.74Å; K70-E72 PolarHBondContact NZ-OE1 2.84Å
71	E	93.8	Very high	95.1	Very high	129 Å²	129	69.7 Å²	69.7	60%	0.603	38%	0.378	S	S	*	.			trans	-91.4	110.8	176	-169.1	160.6	-154.8	0	0	109.9	V66 H76	V66-E71 HydrophobicContact CB-CB 4.2Å; V66-E71 HydrophobicContact CB-CG 4.04Å; V66-E71 HydrophobicContact CG1-CB 4.33Å; V66-E71 HydrophobicContact CG2-CB 4.27Å; V66-E71 HydrophobicContact CG2-CG 3.91Å; E71-H76 WeakPolarHBondContact CG-NE2 3.36Å; E71-H76 IonicContact OE1-CE1 2.64Å; E71-H76 IonicContact OE1-NE2 3.08Å; E71-H76 PolarHBondContact OE1-NE2 3.48Å
72	E	93.9	Very high	95.6	Very high	86 Å²	86	65.6 Å²	65.6	40%	0.402	36%	0.358	S	S	.	.			trans	-134.2	144	-179.8	-59.3	-176.5	145.9	0	0	110	K70 L74 T75 H76	K70-E72 HydrophobicContact CD-CG 3.92Å; K70-E72 VanDerWaalsContact CD-OE1 3.23Å; K70-E72 WeakPolarHBondContact CD-OE1 3.29Å; K70-E72 WeakPolarHBondContact CE-OE1 3.18Å; K70-E72 HydrophobicContact CG-CG 3.91Å; K70-E72 IonicContact NZ-OE1 2.74Å; K70-E72 PolarHBondContact NZ-OE1 2.84Å; E72-L74 PolarHBondContact O-N 3.36Å; E72-L74 VanDerWaalsContact O-N 3.14Å; E72-T75 VanDerWaalsContact O-CB 3.27Å; E72-T75 WeakPolarHBondContact O-CB 3.42Å; E72-T75 PolarHBondContact O-N 3.35Å; E72-H76 PolarHBondContact O-CD2 3.42Å; E72-H76 VanDerWaalsContact O-CD2 3.26Å; E72-H76 PolarHBondContact O-N 2.8Å
73	A	94.1	Very high	95.9	Very high	81 Å²	81	65.1 Å²	65.1	67%	0.669	36%	0.355	S	S	*	.	H	α-helix	trans	-53.7	-39.5	-178.5	0	0	0	0	0	113	T75 H76 V77	A73-T75 VanDerWaalsContact C-N 3.32Å; A73-T75 PolarHBondContact O-N 3.15Å; A73-H76 PolarHBondContact O-N 3.26Å; A73-V77 WeakPolarHBondContact O-CG2 3.38Å; A73-V77 PolarHBondContact O-N 2.98Å
74	L	92.9	Very high	95.9	Very high	92 Å²	92	62.5 Å²	62.5	48%	0.482	34%	0.339	S	S	.	.	H	α-helix	trans	-63.5	-36.5	178.6	-174.9	60.7	0	0	0	112.3	E72 H76 V77 C78	E72-L74 PolarHBondContact O-N 3.36Å; E72-L74 VanDerWaalsContact O-N 3.14Å; L74-H76 VanDerWaalsContact C-N 3.32Å; L74-H76 PolarHBondContact O-N 3.05Å; L74-V77 PolarHBondContact O-N 3.43Å; L74-C78 WeakPolarHBondContact O-CB 3.47Å; L74-C78 PolarHBondContact O-N 2.94Å; L74-C78 PolarHBondContact O-SG 2.85Å; L74-C78 VanDerWaalsContact O-SG 3.39Å
75	T	94.9	Very high	95.9	Very high	15 Å²	15	62.5 Å²	62.5	9%	0.092	34%	0.337	C	S	.	.	H	α-helix	trans	-59	-44.4	176.2	-56.8	0	0	0	0	111.4	T44 V46 V66 E72 A73 A79 L99	T44-T75 HydrophobicContact CG2-CG2 3.86Å; V46-T75 HydrophobicContact CG2-CG2 3.68Å; V66-T75 HydrophobicContact CG2-CG2 4.31Å; E72-T75 VanDerWaalsContact O-CB 3.27Å; E72-T75 WeakPolarHBondContact O-CB 3.42Å; E72-T75 PolarHBondContact O-N 3.35Å; A73-T75 VanDerWaalsContact C-N 3.32Å; A73-T75 PolarHBondContact O-N 3.15Å; T75-A79 WeakPolarHBondContact O-CB 3.27Å; T75-A79 PolarHBondContact O-N 2.83Å; T75-L99 HydrophobicContact CG2-CD2 4.41Å
76	H	95.9	Very high	95.9	Very high	38 Å²	38	56.1 Å²	56.1	18%	0.176	31%	0.309	C	S	.	.	H	α-helix	trans	-63.2	-43	177.5	-67.5	-91.1	0	0	0	111.7	T64 E71 E72 A73 L74 K80	T64-H76 WeakPolarHBondContact OG1-CB 3.18Å; T64-H76 PolarHBondContact OG1-ND1 3.35Å; E71-H76 WeakPolarHBondContact CG-NE2 3.36Å; E71-H76 IonicContact OE1-CE1 2.64Å; E71-H76 IonicContact OE1-NE2 3.08Å; E71-H76 PolarHBondContact OE1-NE2 3.48Å; E72-H76 PolarHBondContact O-CD2 3.42Å; E72-H76 VanDerWaalsContact O-CD2 3.26Å; E72-H76 PolarHBondContact O-N 2.8Å; A73-H76 PolarHBondContact O-N 3.26Å; L74-H76 VanDerWaalsContact C-N 3.32Å; L74-H76 PolarHBondContact O-N 3.05Å; H76-K80 VanDerWaalsContact O-CB 3.24Å; H76-K80 WeakPolarHBondContact O-CB 3.45Å; H76-K80 PolarHBondContact O-N 3.42Å
77	V	95.1	Very high	95.9	Very high	93 Å²	93	55.4 Å²	55.4	56%	0.564	31%	0.305	S	S	*	.	H	α-helix	trans	-63.7	-49.3	178.5	175.2	0	0	0	0	111.1	A73 L74 K80 N81	A73-V77 WeakPolarHBondContact O-CG2 3.38Å; A73-V77 PolarHBondContact O-N 2.98Å; L74-V77 PolarHBondContact O-N 3.43Å; V77-K80 PolarHBondContact O-N 2.88Å; V77-N81 WeakPolarHBondContact O-CB 3.49Å; V77-N81 PolarHBondContact O-N 2.8Å
78	C	96.2	Very high	95.7	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.061	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-49	177.9	-70	0	0	0	0	111.4	L74 K80 N81 L82 L99 I109	L74-C78 WeakPolarHBondContact O-CB 3.47Å; L74-C78 PolarHBondContact O-N 2.94Å; L74-C78 PolarHBondContact O-SG 2.85Å; L74-C78 VanDerWaalsContact O-SG 3.39Å; C78-K80 PolarHBondContact O-N 3.28Å; C78-N81 PolarHBondContact O-N 3.32Å; C78-L82 WeakPolarHBondContact O-CB 3.43Å; C78-L82 WeakPolarHBondContact O-CD1 3.41Å; C78-L82 VanDerWaalsContact O-CG 3.29Å; C78-L82 WeakPolarHBondContact O-CG 3.27Å; C78-L82 PolarHBondContact O-N 3.47Å; C78-L99 HydrophobicContact CB-CD2 3.98Å; C78-I109 HydrophobicContact CB-CD1 4.3Å
79	A	97.2	Very high	95.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.2	-46.2	179.7	0	0	0	0	0	111.7	V46 V48 T75 N81 L82 A83 L97	V46-A79 HydrophobicContact CB-CB 4Å; V46-A79 HydrophobicContact CG1-CB 3.71Å; V46-A79 HydrophobicContact CG2-CB 4.19Å; V48-A79 HydrophobicContact CG2-CB 4.16Å; T75-A79 WeakPolarHBondContact O-CB 3.27Å; T75-A79 PolarHBondContact O-N 2.83Å; A79-N81 PolarHBondContact O-N 2.88Å; A79-L82 PolarHBondContact O-N 3.39Å; A79-A83 WeakPolarHBondContact O-CB 3.44Å; A79-A83 PolarHBondContact O-N 3.23Å; A79-L97 HydrophobicContact CB-CD2 3.85Å
80	K	95.6	Very high	95.5	Very high	88 Å²	88	51.6 Å²	51.6	38%	0.383	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-45.6	176.7	-172.3	164.6	174.9	162.5	0	111.5	F62 T64 H76 V77 C78 L82 T84	F62-K80 HydrophobicContact CB-CD 4.38Å; F62-K80 HydrophobicContact CB-CG 4.39Å; F62-K80 PolarHBondContact O-NZ 3.44Å; T64-K80 HydrophobicContact CG2-CB 3.9Å; H76-K80 VanDerWaalsContact O-CB 3.24Å; H76-K80 WeakPolarHBondContact O-CB 3.45Å; H76-K80 PolarHBondContact O-N 3.42Å; V77-K80 PolarHBondContact O-N 2.88Å; C78-K80 PolarHBondContact O-N 3.28Å; K80-L82 PolarHBondContact O-N 3.42Å; K80-T84 VanDerWaalsContact O-CB 3.26Å; K80-T84 WeakPolarHBondContact O-CB 3.43Å; K80-T84 PolarHBondContact O-N 2.95Å; K80-T84 VanDerWaalsContact O-N 3.11Å; K80-T84 PolarHBondContact O-OG1 3.37Å
81	N	95.9	Very high	95.6	Very high	76 Å²	76	47.6 Å²	47.6	41%	0.406	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-41	-179.5	-164.3	-35.6	0	0	0	112.3	V77 C78 A79 I109 K113	V77-N81 WeakPolarHBondContact O-CB 3.49Å; V77-N81 PolarHBondContact O-N 2.8Å; C78-N81 PolarHBondContact O-N 3.32Å; A79-N81 PolarHBondContact O-N 2.88Å; N81-I109 HydrophobicContact CB-CG2 4.41Å; N81-K113 WeakPolarHBondContact O-CE 3.49Å; N81-K113 PolarHBondContact O-NZ 3.26Å; N81-K113 PolarHBondContact OD1-NZ 3.01Å
82	L	97.6	Very high	95.6	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-76.2	-34.7	-178.2	-70.4	164.4	0	0	0	113.3	L36 C78 A79 K80 F85 L99 I109 M112 K113 I116	L36-L82 HydrophobicContact CD2-CD1 3.62Å; L36-L82 HydrophobicContact CD2-CD2 4.2Å; C78-L82 WeakPolarHBondContact O-CB 3.43Å; C78-L82 WeakPolarHBondContact O-CD1 3.41Å; C78-L82 VanDerWaalsContact O-CG 3.29Å; C78-L82 WeakPolarHBondContact O-CG 3.27Å; C78-L82 PolarHBondContact O-N 3.47Å; A79-L82 PolarHBondContact O-N 3.39Å; K80-L82 PolarHBondContact O-N 3.42Å; L82-F85 WeakPolarHBondContact O-CD1 3.34Å; L82-F85 WeakPolarHBondContact O-CE1 3.47Å; L82-L99 HydrophobicContact CD1-CD1 3.83Å; L82-I109 HydrophobicContact CD1-CD1 3.86Å; L82-I109 HydrophobicContact CD2-CD1 4.22Å; L82-I109 HydrophobicContact CD2-CG2 4.04Å; L82-I109 HydrophobicContact CG-CD1 4.13Å; L82-I109 HydrophobicContact CG-CG2 4.28Å; L82-M112 HydrophobicContact CD2-CB 3.78Å; L82-K113 HydrophobicContact CD2-CG 3.9Å; L82-I116 HydrophobicContact CB-CD1 4.38Å; L82-I116 HydrophobicContact CD2-CD1 4.11Å
83	A	97.4	Very high	95.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-99.6	-21.2	-170.7	0	0	0	0	0	115	V48 A79 F85 V86 S87 V95	V48-A83 HydrophobicContact CB-CB 3.99Å; V48-A83 HydrophobicContact CG1-CB 4.13Å; V48-A83 HydrophobicContact CG2-CB 3.79Å; A79-A83 WeakPolarHBondContact O-CB 3.44Å; A79-A83 PolarHBondContact O-N 3.23Å; A83-F85 PolarHBondContact O-N 3.27Å; A83-V86 WeakPolarHBondContact O-CB 3.08Å; A83-V86 PolarHBondContact O-N 3.23Å; A83-S87 PolarHBondContact O-N 2.74Å; A83-V95 HydrophobicContact CB-CB 3.94Å; A83-V95 HydrophobicContact CB-CG1 3.79Å; A83-V95 HydrophobicContact CB-CG2 4.28Å
84	T	96	Very high	95.8	Very high	28 Å²	28	41.6 Å²	41.6	17%	0.172	23%	0.229	C	C	.	.	H	α-helix	trans	-56.3	-48.3	-174.7	-68.6	0	0	0	0	112.3	F62 K80 V86 S87 Q88	F62-T84 HydrophobicContact CD2-CG2 3.79Å; F62-T84 HydrophobicContact CE2-CG2 3.46Å; F62-T84 VanDerWaalsContact CE2-CG2 3.46Å; F62-T84 HydrophobicContact CZ-CG2 4.04Å; K80-T84 VanDerWaalsContact O-CB 3.26Å; K80-T84 WeakPolarHBondContact O-CB 3.43Å; K80-T84 PolarHBondContact O-N 2.95Å; K80-T84 VanDerWaalsContact O-N 3.11Å; K80-T84 PolarHBondContact O-OG1 3.37Å; T84-V86 VanDerWaalsContact C-N 3.3Å; T84-V86 PolarHBondContact O-N 3.22Å; T84-S87 PolarHBondContact O-N 2.66Å; T84-Q88 HydrophobicContact CG2-CG 4.41Å; T84-Q88 WeakPolarHBondContact O-CG 3.23Å; T84-Q88 PolarHBondContact O-N 3.26Å
85	F	96.5	Very high	96.1	Very high	30 Å²	30	37.3 Å²	37.3	13%	0.132	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-37.1	-178.1	83	-88.1	0	0	0	111.8	L82 A83 Q88 E89 K113 I116 K117 W122	L82-F85 WeakPolarHBondContact O-CD1 3.34Å; L82-F85 WeakPolarHBondContact O-CE1 3.47Å; A83-F85 PolarHBondContact O-N 3.27Å; F85-Q88 PolarHBondContact O-N 2.89Å; F85-E89 WeakPolarHBondContact O-CB 3.44Å; F85-E89 VanDerWaalsContact O-CG 3.27Å; F85-E89 WeakPolarHBondContact O-CG 3.2Å; F85-E89 PolarHBondContact O-N 3.14Å; F85-K113 HydrophobicContact CD1-CG 4.47Å; F85-K113 HydrophobicContact CE1-CB 3.98Å; F85-K113 HydrophobicContact CE1-CG 3.98Å; F85-K113 HydrophobicContact CZ-CB 4.44Å; F85-I116 HydrophobicContact CE1-CG2 4.31Å; F85-I116 HydrophobicContact CZ-CB 4.07Å; F85-I116 HydrophobicContact CZ-CG2 3.67Å; F85-K117 HydrophobicContact CE2-CB 4.37Å; F85-K117 HydrophobicContact CE2-CD 4.15Å; F85-W122 HydrophobicContact CE2-CZ2 4.16Å
86	V	97.9	Very high	96.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-48.4	175.9	177.6	0	0	0	0	109.9	I32 I34 A83 T84 Q88 E89 A90 V95 I116 W122	I32-V86 HydrophobicContact CB-CG1 4.13Å; I32-V86 HydrophobicContact CG1-CG1 4.14Å; I32-V86 HydrophobicContact CG2-CG1 3.97Å; I34-V86 HydrophobicContact CD1-CB 4.29Å; I34-V86 HydrophobicContact CD1-CG1 4.02Å; I34-V86 HydrophobicContact CD1-CG2 3.84Å; A83-V86 WeakPolarHBondContact O-CB 3.08Å; A83-V86 PolarHBondContact O-N 3.23Å; T84-V86 VanDerWaalsContact C-N 3.3Å; T84-V86 PolarHBondContact O-N 3.22Å; V86-Q88 VanDerWaalsContact C-N 3.34Å; V86-Q88 PolarHBondContact O-N 3.1Å; V86-E89 PolarHBondContact O-N 3.41Å; V86-A90 WeakPolarHBondContact O-CB 3.44Å; V86-A90 PolarHBondContact O-N 2.94Å; V86-V95 HydrophobicContact CB-CG2 4.17Å; V86-V95 HydrophobicContact CG1-CG2 4.01Å; V86-I116 HydrophobicContact CG2-CG2 3.7Å; V86-W122 HydrophobicContact CB-CH2 4.31Å; V86-W122 HydrophobicContact CB-CZ2 4.29Å; V86-W122 HydrophobicContact CG1-CD2 3.92Å; V86-W122 HydrophobicContact CG1-CE3 3.73Å; V86-W122 HydrophobicContact CG1-CH2 3.87Å; V86-W122 HydrophobicContact CG1-CZ2 4.03Å; V86-W122 HydrophobicContact CG1-CZ3 3.71Å; V86-W122 HydrophobicContact CG2-CH2 3.74Å; V86-W122 HydrophobicContact CG2-CZ2 3.94Å; V86-W122 HydrophobicContact CG2-CZ3 4.32Å
87	S	96.8	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-46.8	179.7	-174	0	0	0	0	111.5	F62 A83 T84 A90 G91 N92 R93	F62-S87 WeakPolarHBondContact CE1-OG 3.44Å; A83-S87 PolarHBondContact O-N 2.74Å; T84-S87 PolarHBondContact O-N 2.66Å; S87-A90 CarbonylContact O-C 3.57Å; S87-A90 PolarHBondContact O-N 2.93Å; S87-G91 PolarHBondContact O-N 3.39Å; S87-N92 WeakPolarHBondContact O-CA 3.33Å; S87-N92 PolarHBondContact O-N 3.08Å; S87-R93 WeakPolarHBondContact CA-O 3.36Å; S87-R93 VanDerWaalsContact CB-O 3.31Å; S87-R93 WeakPolarHBondContact CB-O 3.26Å; S87-R93 PolarHBondContact O-N 3.4Å; S87-R93 PolarHBondContact OG-O 2.87Å
88	Q	94.4	Very high	96.6	Very high	80 Å²	80	32.2 Å²	32.2	37%	0.374	18%	0.177	S	C	.	.	H	α-helix	trans	-61.5	-49.4	179.9	-71.1	173.2	-35.8	0	0	111.9	F62 T84 F85 V86 A90 G91	F62-Q88 HydrophobicContact CE2-CG 4.22Å; F62-Q88 HydrophobicContact CZ-CG 3.91Å; T84-Q88 HydrophobicContact CG2-CG 4.41Å; T84-Q88 WeakPolarHBondContact O-CG 3.23Å; T84-Q88 PolarHBondContact O-N 3.26Å; F85-Q88 PolarHBondContact O-N 2.89Å; V86-Q88 VanDerWaalsContact C-N 3.34Å; V86-Q88 PolarHBondContact O-N 3.1Å; Q88-A90 VanDerWaalsContact C-N 3.27Å; Q88-A90 PolarHBondContact O-N 3.36Å; Q88-G91 PolarHBondContact O-N 3.03Å
89	E	95.7	Very high	96.7	Very high	88 Å²	88	32.5 Å²	32.5	41%	0.411	18%	0.177	S	C	.	.	H	α-helix	trans	-67.6	-27.7	178.3	-69.5	180	174.8	0	0	112.8	F85 V86 G91 K117 W122	F85-E89 WeakPolarHBondContact O-CB 3.44Å; F85-E89 VanDerWaalsContact O-CG 3.27Å; F85-E89 WeakPolarHBondContact O-CG 3.2Å; F85-E89 PolarHBondContact O-N 3.14Å; V86-E89 PolarHBondContact O-N 3.41Å; E89-G91 PolarHBondContact O-N 3.21Å; E89-K117 IonicContact OE1-NZ 3.44Å; E89-K117 PolarHBondContact OE1-NZ 2.91Å; E89-K117 IonicContact OE2-NZ 3.54Å; E89-K117 PolarHBondContact OE2-NZ 3.49Å; E89-W122 VanDerWaalsContact CB-NE1 3.26Å; E89-W122 PolarHBondContact OE2-NE1 2.92Å
90	A	95.6	Very high	96.7	Very high	7 Å²	7	32.8 Å²	32.8	6%	0.058	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	17	176.2	0	0	0	0	0	113.4	I32 V86 S87 Q88 R93 W122	I32-A90 HydrophobicContact CD1-CB 4.09Å; I32-A90 HydrophobicContact CG1-CB 3.76Å; V86-A90 WeakPolarHBondContact O-CB 3.44Å; V86-A90 PolarHBondContact O-N 2.94Å; S87-A90 CarbonylContact O-C 3.57Å; S87-A90 PolarHBondContact O-N 2.93Å; Q88-A90 VanDerWaalsContact C-N 3.27Å; Q88-A90 PolarHBondContact O-N 3.36Å; A90-R93 HydrophobicContact CB-CB 4.32Å; A90-R93 WeakPolarHBondContact O-CG 3.19Å; A90-R93 PolarHBondContact O-NE 2.99Å; A90-W122 HydrophobicContact CB-CB 3.58Å; A90-W122 HydrophobicContact CB-CG 3.8Å
91	G	93.8	Very high	96.6	Very high	59 Å²	59	30.1 Å²	30.1	61%	0.608	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	37.5	178.8	0	0	0	0	0	113.7	S87 Q88 E89 R93	S87-G91 PolarHBondContact O-N 3.39Å; Q88-G91 PolarHBondContact O-N 3.03Å; E89-G91 PolarHBondContact O-N 3.21Å; G91-R93 PolarHBondContact O-N 2.89Å
92	N	93.8	Very high	96.6	Very high	80 Å²	80	31.9 Å²	31.9	43%	0.428	17%	0.173	S	C	.	.	S	Bend	trans	57.1	33.2	-174	-58.9	-53.1	0	0	0	113.2	P50 S87	P50-N92 HydrophobicContact CB-CB 4.44Å; P50-N92 HydrophobicContact CG-CB 4.07Å; P50-N92 WeakPolarHBondContact CG-O 3.08Å; S87-N92 WeakPolarHBondContact O-CA 3.33Å; S87-N92 PolarHBondContact O-N 3.08Å
93	R	95.4	Very high	96.4	Very high	48 Å²	48	33.3 Å²	33.3	18%	0.181	18%	0.181	C	C	.	.			trans	-75	138.4	170.2	-77.5	-174.6	-71.2	177.6	-6.1	109.9	E27 F28 S87 A90 G91	E27-R93 VanDerWaalsContact CG-NH1 3.35Å; E27-R93 IonicContact OE1-CZ 2.94Å; E27-R93 IonicContact OE1-NH1 2.87Å; E27-R93 PolarHBondContact OE1-NH1 2.91Å; E27-R93 IonicContact OE1-NH2 2.65Å; E27-R93 PolarHBondContact OE1-NH2 2.87Å; F28-R93 PolarHBondContact O-NH1 3.45Å; S87-R93 WeakPolarHBondContact CA-O 3.36Å; S87-R93 VanDerWaalsContact CB-O 3.31Å; S87-R93 WeakPolarHBondContact CB-O 3.26Å; S87-R93 PolarHBondContact O-N 3.4Å; S87-R93 PolarHBondContact OG-O 2.87Å; A90-R93 HydrophobicContact CB-CB 4.32Å; A90-R93 WeakPolarHBondContact O-CG 3.19Å; A90-R93 PolarHBondContact O-NE 2.99Å; G91-R93 PolarHBondContact O-N 2.89Å
94	P	97.8	Very high	96.3	Very high	42 Å²	42	36 Å²	36	27%	0.273	20%	0.2	S	C	.	.			trans	-53.3	152.7	171.5	-25.3	32.6	0	0	0	112.7	N30 Y31 I32 V48 T49	N30-P94 WeakPolarHBondContact O-CD 3.24Å; Y31-P94 CarbonylContact C-O 3.58Å; Y31-P94 WeakPolarHBondContact CA-O 3.36Å; Y31-P94 VanDerWaalsContact CB-O 3.23Å; Y31-P94 WeakPolarHBondContact CB-O 3.42Å; I32-P94 PolarHBondContact N-O 3.31Å; V48-P94 WeakPolarHBondContact O-CA 3.44Å; T49-P94 HydrophobicContact CG2-CG 4.26Å
95	V	98.6	Very high	96.2	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.7	174.1	179.2	0	0	0	0	109.2	I32 I34 V48 A83 V86	I32-V95 HydrophobicContact CB-CG2 4.41Å; I32-V95 CarbonylContact O-C 3.54Å; I32-V95 WeakPolarHBondContact O-CA 3.47Å; I34-V95 HydrophobicContact CD1-CG1 3.98Å; I34-V95 HydrophobicContact CG1-CG1 4.22Å; V48-V95 HydrophobicContact CB-CB 4.42Å; V48-V95 PolarHBondContact N-O 2.82Å; V48-V95 PolarHBondContact O-N 3.28Å; A83-V95 HydrophobicContact CB-CB 3.94Å; A83-V95 HydrophobicContact CB-CG1 3.79Å; A83-V95 HydrophobicContact CB-CG2 4.28Å; V86-V95 HydrophobicContact CB-CG2 4.17Å; V86-V95 HydrophobicContact CG1-CG2 4.01Å
96	L	98.8	Very high	96.1	Very high	38 Å²	38	40.4 Å²	40.4	20%	0.199	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.8	167.9	-178.1	64.5	0	0	0	108	Y31 I32 F33 I34 L45 L67	Y31-L96 HydrophobicContact CD2-CB 3.99Å; Y31-L96 HydrophobicContact CE2-CB 4.27Å; Y31-L96 HydrophobicContact CE2-CD2 4.2Å; I32-L96 PolarHBondContact O-N 2.85Å; F33-L96 WeakPolarHBondContact CA-O 3.37Å; F33-L96 HydrophobicContact CD2-CB 3.99Å; F33-L96 HydrophobicContact CD2-CD2 3.82Å; F33-L96 HydrophobicContact CD2-CG 3.83Å; F33-L96 VanDerWaalsContact CD2-O 3.31Å; F33-L96 WeakPolarHBondContact CD2-O 3.47Å; F33-L96 HydrophobicContact CE2-CD2 4.08Å; F33-L96 HydrophobicContact CE2-CG 4.12Å; I34-L96 PolarHBondContact N-O 3.35Å; L45-L96 HydrophobicContact CD1-CD1 3.88Å; L45-L96 HydrophobicContact CD1-CD2 4.45Å; L45-L96 HydrophobicContact CD1-CG 3.97Å; L45-L96 HydrophobicContact CD2-CD1 4.12Å; L45-L96 HydrophobicContact CG-CD1 3.79Å; L45-L96 HydrophobicContact CG-CG 4.42Å; L67-L96 HydrophobicContact CD1-CD1 3.7Å
97	L	98.7	Very high	96	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.6	-172.8	178.9	65.4	0	0	0	110.9	I34 L36 L45 V46 A79 L99	I34-L97 HydrophobicContact CB-CD1 3.78Å; I34-L97 HydrophobicContact CG2-CD1 3.63Å; I34-L97 CarbonylContact O-C 3.56Å; I34-L97 WeakPolarHBondContact O-CA 3.42Å; L36-L97 HydrophobicContact CB-CD1 4.39Å; L45-L97 CarbonylContact C-O 3.55Å; L45-L97 WeakPolarHBondContact CA-O 3.44Å; V46-L97 PolarHBondContact N-O 2.84Å; V46-L97 PolarHBondContact O-N 3.5Å; A79-L97 HydrophobicContact CB-CD2 3.85Å; L97-L99 HydrophobicContact CD2-CB 4.43Å; L97-L99 HydrophobicContact CD2-CD1 4.34Å; L97-L99 HydrophobicContact CG-CB 4.31Å
98	G	98.5	Very high	96	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	117	161	0	0	0	0	0	109.8	I34 L36 I42	I34-G98 PolarHBondContact O-N 3.47Å; L36-G98 PolarHBondContact N-O 2.69Å; I42-G98 CarbonylContact O-C 3.58Å; I42-G98 WeakPolarHBondContact O-CA 3.29Å
99	L	97.9	Very high	96.2	Very high	14 Å²	14	42.9 Å²	42.9	7%	0.073	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.2	-172.7	-171	66.5	0	0	0	111.9	L36 I42 G43 T44 T75 C78 L82 L97 L101	L36-L99 HydrophobicContact CB-CD1 4.48Å; L36-L99 HydrophobicContact CD2-CD1 3.84Å; L36-L99 HydrophobicContact CG-CD1 4.36Å; I42-L99 PolarHBondContact O-N 2.95Å; I42-L99 VanDerWaalsContact O-N 3.1Å; G43-L99 CarbonylContact C-O 3.58Å; G43-L99 WeakPolarHBondContact CA-O 3.47Å; T44-L99 PolarHBondContact N-O 3.43Å; T44-L99 PolarHBondContact O-N 2.92Å; T75-L99 HydrophobicContact CG2-CD2 4.41Å; C78-L99 HydrophobicContact CB-CD2 3.98Å; L82-L99 HydrophobicContact CD1-CD1 3.83Å; L97-L99 HydrophobicContact CD2-CB 4.43Å; L97-L99 HydrophobicContact CD2-CD1 4.34Å; L97-L99 HydrophobicContact CG-CB 4.31Å; L99-L101 HydrophobicContact CD1-CD1 3.72Å; L99-L101 HydrophobicContact CD1-CD2 4Å; L99-L101 HydrophobicContact CD1-CG 3.6Å; L99-L101 HydrophobicContact CG-CD1 4.3Å; L99-L101 HydrophobicContact CG-CG 4.05Å
100	A	97.2	Very high	96.2	Very high	7 Å²	7	44.9 Å²	44.9	6%	0.058	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	84.8	178.5	0	0	0	0	0	110.8	L36 T37 Q38 Y39 K41	L36-A100 PolarHBondContact O-N 3.47Å; T37-A100 CarbonylContact C-O 3.47Å; T37-A100 WeakPolarHBondContact CA-O 3.48Å; T37-A100 WeakPolarHBondContact OG1-CB 3.3Å; Q38-A100 PolarHBondContact N-O 3.26Å; Y39-A100 HydrophobicContact CD2-CB 4.08Å; K41-A100 WeakPolarHBondContact O-CB 3.27Å
101	L	95.5	Very high	96.3	Very high	32 Å²	32	46.1 Å²	46.1	17%	0.168	26%	0.255	C	S	.	.			trans	-108.7	135.3	-174	-57.6	-174	0	0	0	113	L36 Q38 Y39 L99 I109 M112	L36-L101 HydrophobicContact CD2-CD2 3.93Å; L36-L101 HydrophobicContact CG-CD2 3.88Å; Q38-L101 HydrophobicContact CG-CD2 4.42Å; Y39-L101 VanDerWaalsContact CE2-C 3.47Å; Y39-L101 VanDerWaalsContact CE2-O 3.32Å; Y39-L101 WeakPolarHBondContact CE2-O 3.16Å; L99-L101 HydrophobicContact CD1-CD1 3.72Å; L99-L101 HydrophobicContact CD1-CD2 4Å; L99-L101 HydrophobicContact CD1-CG 3.6Å; L99-L101 HydrophobicContact CG-CD1 4.3Å; L99-L101 HydrophobicContact CG-CG 4.05Å; L101-I109 HydrophobicContact CD1-CD1 3.89Å; L101-M112 HydrophobicContact CD1-CE 4.38Å; L101-M112 HydrophobicContact CD1-SD 3.98Å; L101-M112 HydrophobicContact CD2-CE 3.69Å; L101-M112 HydrophobicContact CD2-SD 3.7Å; L101-M112 HydrophobicContact CG-SD 4.5Å
102	K	95.3	Very high	96.6	Very high	112 Å²	112	43.3 Å²	43.3	49%	0.487	23%	0.226	S	C	.	.	S	Bend	trans	-86.6	-35	164.8	-73.4	172.8	179.6	166	0	111.4	I19 Q38 Y39	I19-K102 HydrophobicContact CD1-CB 3.82Å; I19-K102 HydrophobicContact CG2-CB 4.49Å; I19-K102 HydrophobicContact CG2-CD 3.93Å; Q38-K102 HydrophobicContact CB-CB 4.41Å; Q38-K102 HydrophobicContact CB-CD 4.32Å; Q38-K102 HydrophobicContact CB-CG 4.26Å; Q38-K102 WeakPolarHBondContact O-CE 3.09Å; Q38-K102 PolarHBondContact O-NZ 2.91Å; Y39-K102 HydrophobicContact CD1-CD 4.38Å; Y39-K102 HydrophobicContact CD1-CG 4.1Å; Y39-K102 HydrophobicContact CD2-CG 4.19Å; Y39-K102 HydrophobicContact CE1-CD 4.05Å; Y39-K102 HydrophobicContact CE1-CG 3.47Å; Y39-K102 VanDerWaalsContact CE1-CG 3.47Å; Y39-K102 HydrophobicContact CE2-CB 4.48Å; Y39-K102 HydrophobicContact CE2-CG 3.62Å; Y39-K102 HydrophobicContact CG-CG 4.43Å; Y39-K102 WeakPolarHBondContact OH-CG 3.37Å
103	D	93.4	Very high	96.8	Very high	32 Å²	32	42.3 Å²	42.3	17%	0.171	22%	0.218	C	C	.	.			trans	-120.5	116.9	-179.3	-177.9	-0.3	0	0	0	110	N17 I19 Q38 S105 A108	N17-D103 PolarHBondContact ND2-OD2 2.9Å; I19-D103 HydrophobicContact CD1-CB 3.86Å; Q38-D103 VanDerWaalsContact OE1-N 3.13Å; D103-S105 WeakPolarHBondContact OD1-CB 3.38Å; D103-S105 PolarHBondContact OD1-N 2.95Å; D103-S105 PolarHBondContact OD1-OG 2.94Å; D103-S105 PolarHBondContact OD2-OG 2.9Å; D103-A108 HydrophobicContact CB-CB 4.29Å; D103-A108 WeakPolarHBondContact OD2-CB 3.44Å
104	S	93.8	Very high	96.9	Very high	55 Å²	55	45.4 Å²	45.4	39%	0.385	24%	0.238	S	C	.	.			trans	-112.1	21	177.5	63.6	0	0	0	0	112.6
105	S	95.3	Very high	96.9	Very high	36 Å²	36	43.7 Å²	43.7	25%	0.252	23%	0.227	S	C	.	.			trans	-61.3	156.9	172.9	61.7	0	0	0	0	111.7	D103 E107 A108 I109	D103-S105 WeakPolarHBondContact OD1-CB 3.38Å; D103-S105 PolarHBondContact OD1-N 2.95Å; D103-S105 PolarHBondContact OD1-OG 2.94Å; D103-S105 PolarHBondContact OD2-OG 2.9Å; S105-E107 VanDerWaalsContact C-N 3.26Å; S105-E107 PolarHBondContact O-N 3.48Å; S105-A108 PolarHBondContact O-N 2.95Å; S105-A108 VanDerWaalsContact OG-CB 3.23Å; S105-A108 WeakPolarHBondContact OG-CB 3.31Å; S105-A108 PolarHBondContact OG-N 2.61Å; S105-I109 VanDerWaalsContact O-CG1 3.27Å; S105-I109 WeakPolarHBondContact O-CG1 3.14Å; S105-I109 PolarHBondContact O-N 3.09Å
106	I	94.6	Very high	96.9	Very high	116 Å²	116	43.6 Å²	43.6	60%	0.595	23%	0.226	S	C	*	.	H	α-helix	trans	-63.6	-38.2	-177.7	-65.1	173.4	0	0	0	110.4	I109 K110	I106-I109 PolarHBondContact O-N 2.82Å; I106-K110 HydrophobicContact CG2-CD 4.37Å; I106-K110 WeakPolarHBondContact O-CG 3.27Å; I106-K110 PolarHBondContact O-N 2.94Å
107	E	96.1	Very high	96.9	Very high	121 Å²	121	45.6 Å²	45.6	57%	0.565	23%	0.233	S	C	*	.	H	α-helix	trans	-63.3	-46.9	177.9	-63.3	66.5	-142.6	0	0	110.5	S105 K110 A111	S105-E107 VanDerWaalsContact C-N 3.26Å; S105-E107 PolarHBondContact O-N 3.48Å; E107-K110 PolarHBondContact O-N 2.89Å; E107-A111 PolarHBondContact O-N 2.91Å
108	A	96.8	Very high	96.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-44.4	176.4	0	0	0	0	0	111.6	I16 D103 S105 K110 A111 M112	I16-A108 HydrophobicContact CG2-CB 4.09Å; D103-A108 HydrophobicContact CB-CB 4.29Å; D103-A108 WeakPolarHBondContact OD2-CB 3.44Å; S105-A108 PolarHBondContact O-N 2.95Å; S105-A108 VanDerWaalsContact OG-CB 3.23Å; S105-A108 WeakPolarHBondContact OG-CB 3.31Å; S105-A108 PolarHBondContact OG-N 2.61Å; A108-K110 VanDerWaalsContact C-N 3.34Å; A108-K110 PolarHBondContact O-N 2.88Å; A108-A111 PolarHBondContact O-N 2.65Å; A108-M112 HydrophobicContact CB-CE 4.06Å; A108-M112 WeakPolarHBondContact O-CB 3.34Å; A108-M112 WeakPolarHBondContact O-CG 3.36Å; A108-M112 PolarHBondContact O-N 2.59Å
109	I	97.2	Very high	96.8	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.051	25%	0.253	C	S	.	.	H	α-helix	trans	-61	-42	177.7	-67.8	-68.6	0	0	0	111.3	C78 N81 L82 L101 S105 I106 M112 K113	C78-I109 HydrophobicContact CB-CD1 4.3Å; N81-I109 HydrophobicContact CB-CG2 4.41Å; L82-I109 HydrophobicContact CD1-CD1 3.86Å; L82-I109 HydrophobicContact CD2-CD1 4.22Å; L82-I109 HydrophobicContact CD2-CG2 4.04Å; L82-I109 HydrophobicContact CG-CD1 4.13Å; L82-I109 HydrophobicContact CG-CG2 4.28Å; L101-I109 HydrophobicContact CD1-CD1 3.89Å; S105-I109 VanDerWaalsContact O-CG1 3.27Å; S105-I109 WeakPolarHBondContact O-CG1 3.14Å; S105-I109 PolarHBondContact O-N 3.09Å; I106-I109 PolarHBondContact O-N 2.82Å; I109-M112 HydrophobicContact CD1-SD 4.2Å; I109-M112 PolarHBondContact O-N 3.31Å; I109-K113 WeakPolarHBondContact O-CG 3.43Å; I109-K113 PolarHBondContact O-N 2.86Å; I109-K113 VanDerWaalsContact O-N 3.1Å
110	K	97.1	Very high	96.8	Very high	131 Å²	131	50.8 Å²	50.8	57%	0.57	26%	0.264	S	S	*	.	H	α-helix	trans	-60.6	-49.8	174.8	-74.7	172.5	-179	173.8	0	111.4	I106 E107 A108 M112 K113 D114	I106-K110 HydrophobicContact CG2-CD 4.37Å; I106-K110 WeakPolarHBondContact O-CG 3.27Å; I106-K110 PolarHBondContact O-N 2.94Å; E107-K110 PolarHBondContact O-N 2.89Å; A108-K110 VanDerWaalsContact C-N 3.34Å; A108-K110 PolarHBondContact O-N 2.88Å; K110-M112 VanDerWaalsContact C-N 3.29Å; K110-M112 PolarHBondContact O-N 3.44Å; K110-K113 WeakPolarHBondContact O-CB 3.26Å; K110-K113 PolarHBondContact O-N 3.4Å; K110-K113 VanDerWaalsContact O-N 3.1Å; K110-D114 PolarHBondContact O-N 3.43Å
111	A	98	Very high	96.8	Very high	33 Å²	33	50.9 Å²	50.9	27%	0.273	26%	0.264	S	S	.	.	H	α-helix	trans	-59.4	-40.8	177.7	0	0	0	0	0	111.9	I16 E107 A108 K113 D114 V115	I16-A111 HydrophobicContact CD1-CB 4.24Å; I16-A111 HydrophobicContact CG1-CB 4.45Å; I16-A111 HydrophobicContact CG2-CB 3.95Å; E107-A111 PolarHBondContact O-N 2.91Å; A108-A111 PolarHBondContact O-N 2.65Å; A111-K113 VanDerWaalsContact C-N 3.31Å; A111-K113 PolarHBondContact O-N 3.43Å; A111-D114 WeakPolarHBondContact O-CB 3.35Å; A111-D114 PolarHBondContact O-N 2.87Å; A111-D114 VanDerWaalsContact O-N 3.15Å; A111-V115 VanDerWaalsContact O-CG2 3.29Å; A111-V115 WeakPolarHBondContact O-CG2 3.47Å; A111-V115 PolarHBondContact O-N 2.8Å
112	M	98.2	Very high	96.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-36.4	176.5	-71.3	167.8	-169.9	0	0	112.4	I16 T21 L36 Q38 L82 L101 A108 I109 K110 D114 V115 I116	I16-M112 HydrophobicContact CD1-CB 4.34Å; I16-M112 HydrophobicContact CD1-CE 4.5Å; I16-M112 HydrophobicContact CD1-CG 3.48Å; I16-M112 VanDerWaalsContact CD1-CG 3.48Å; T21-M112 HydrophobicContact CG2-CG 4.47Å; L36-M112 HydrophobicContact CD1-CB 4.4Å; L36-M112 HydrophobicContact CD1-CG 4.15Å; L36-M112 HydrophobicContact CD1-SD 4.43Å; L36-M112 HydrophobicContact CD2-CB 4.2Å; L36-M112 HydrophobicContact CD2-CG 4.29Å; L36-M112 HydrophobicContact CD2-SD 3.88Å; Q38-M112 VanDerWaalsContact NE2-CE 3.27Å; L82-M112 HydrophobicContact CD2-CB 3.78Å; L101-M112 HydrophobicContact CD1-CE 4.38Å; L101-M112 HydrophobicContact CD1-SD 3.98Å; L101-M112 HydrophobicContact CD2-CE 3.69Å; L101-M112 HydrophobicContact CD2-SD 3.7Å; L101-M112 HydrophobicContact CG-SD 4.5Å; A108-M112 HydrophobicContact CB-CE 4.06Å; A108-M112 WeakPolarHBondContact O-CB 3.34Å; A108-M112 WeakPolarHBondContact O-CG 3.36Å; A108-M112 PolarHBondContact O-N 2.59Å; I109-M112 HydrophobicContact CD1-SD 4.2Å; I109-M112 PolarHBondContact O-N 3.31Å; K110-M112 VanDerWaalsContact C-N 3.29Å; K110-M112 PolarHBondContact O-N 3.44Å; M112-D114 VanDerWaalsContact C-N 3.32Å; M112-D114 PolarHBondContact O-N 3.28Å; M112-V115 PolarHBondContact O-N 3.47Å; M112-I116 VanDerWaalsContact O-CG1 3.29Å; M112-I116 WeakPolarHBondContact O-CG1 3.41Å; M112-I116 PolarHBondContact O-N 3.38Å
113	K	98.3	Very high	96.9	Very high	58 Å²	58	48.4 Å²	48.4	25%	0.252	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-41.1	174.5	-66.1	174.6	87.8	164.2	0	111.3	N81 L82 F85 I109 K110 A111 V115 I116 K117	N81-K113 WeakPolarHBondContact O-CE 3.49Å; N81-K113 PolarHBondContact O-NZ 3.26Å; N81-K113 PolarHBondContact OD1-NZ 3.01Å; L82-K113 HydrophobicContact CD2-CG 3.9Å; F85-K113 HydrophobicContact CD1-CG 4.47Å; F85-K113 HydrophobicContact CE1-CB 3.98Å; F85-K113 HydrophobicContact CE1-CG 3.98Å; F85-K113 HydrophobicContact CZ-CB 4.44Å; I109-K113 WeakPolarHBondContact O-CG 3.43Å; I109-K113 PolarHBondContact O-N 2.86Å; I109-K113 VanDerWaalsContact O-N 3.1Å; K110-K113 WeakPolarHBondContact O-CB 3.26Å; K110-K113 PolarHBondContact O-N 3.4Å; K110-K113 VanDerWaalsContact O-N 3.1Å; A111-K113 VanDerWaalsContact C-N 3.31Å; A111-K113 PolarHBondContact O-N 3.43Å; K113-V115 VanDerWaalsContact C-N 3.33Å; K113-V115 PolarHBondContact O-N 3.23Å; K113-I116 PolarHBondContact O-N 3.18Å; K113-K117 WeakPolarHBondContact O-CB 3.22Å; K113-K117 PolarHBondContact O-N 3.11Å
114	D	98.1	Very high	97	Very high	114 Å²	114	49.3 Å²	49.3	61%	0.61	26%	0.257	S	S	*	.	H	α-helix	trans	-64.7	-38.6	175.8	-60.6	-30.1	0	0	0	111.6	K110 A111 M112 K117 S118	K110-D114 PolarHBondContact O-N 3.43Å; A111-D114 WeakPolarHBondContact O-CB 3.35Å; A111-D114 PolarHBondContact O-N 2.87Å; A111-D114 VanDerWaalsContact O-N 3.15Å; M112-D114 VanDerWaalsContact C-N 3.32Å; M112-D114 PolarHBondContact O-N 3.28Å; D114-K117 PolarHBondContact O-N 2.91Å; D114-S118 PolarHBondContact O-N 2.9Å
115	V	98.3	Very high	97.2	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.036	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-45.7	174.4	-172.5	0	0	0	0	111.1	T12 K14 I16 V23 A111 M112 K113 K117 S118 C119	T12-V115 HydrophobicContact CG2-CG1 3.33Å; K14-V115 HydrophobicContact CB-CG2 4.32Å; K14-V115 HydrophobicContact CD-CG1 4.37Å; K14-V115 HydrophobicContact CD-CG2 3.91Å; I16-V115 HydrophobicContact CD1-CG2 3.94Å; V23-V115 HydrophobicContact CB-CG1 4.09Å; V23-V115 HydrophobicContact CG2-CB 4.23Å; V23-V115 HydrophobicContact CG2-CG1 3.6Å; A111-V115 VanDerWaalsContact O-CG2 3.29Å; A111-V115 WeakPolarHBondContact O-CG2 3.47Å; A111-V115 PolarHBondContact O-N 2.8Å; M112-V115 PolarHBondContact O-N 3.47Å; K113-V115 VanDerWaalsContact C-N 3.33Å; K113-V115 PolarHBondContact O-N 3.23Å; V115-K117 VanDerWaalsContact C-N 3.32Å; V115-K117 PolarHBondContact O-N 3Å; V115-S118 PolarHBondContact O-N 3.44Å; V115-S118 VanDerWaalsContact O-N 3.16Å; V115-S118 PolarHBondContact O-OG 3.31Å; V115-C119 PolarHBondContact O-N 3.24Å
116	I	98.6	Very high	97.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.4	-45	175.5	-68.9	164.4	0	0	0	110.7	V23 I34 L36 L82 F85 V86 M112 K113 S118 C119 W122	V23-I116 HydrophobicContact CG1-CG1 3.99Å; V23-I116 HydrophobicContact CG2-CG1 4.42Å; I34-I116 HydrophobicContact CD1-CG2 3.97Å; L36-I116 HydrophobicContact CD2-CD1 4.43Å; L82-I116 HydrophobicContact CB-CD1 4.38Å; L82-I116 HydrophobicContact CD2-CD1 4.11Å; F85-I116 HydrophobicContact CE1-CG2 4.31Å; F85-I116 HydrophobicContact CZ-CB 4.07Å; F85-I116 HydrophobicContact CZ-CG2 3.67Å; V86-I116 HydrophobicContact CG2-CG2 3.7Å; M112-I116 VanDerWaalsContact O-CG1 3.29Å; M112-I116 WeakPolarHBondContact O-CG1 3.41Å; M112-I116 PolarHBondContact O-N 3.38Å; K113-I116 PolarHBondContact O-N 3.18Å; I116-S118 VanDerWaalsContact C-N 3.28Å; I116-S118 PolarHBondContact O-N 2.96Å; I116-C119 CarbonylContact O-C 3.57Å; I116-C119 WeakPolarHBondContact O-CA 3.1Å; I116-C119 PolarHBondContact O-N 2.75Å; I116-W122 HydrophobicContact CG2-CH2 4.04Å
117	K	98.2	Very high	97.5	Very high	79 Å²	79	45.6 Å²	45.6	34%	0.343	23%	0.228	S	C	.	.	H	α-helix	trans	-60.8	-37	177.7	-172.4	62.8	170.6	175.5	0	112.2	F85 E89 K113 D114 V115 C119 Q120	F85-K117 HydrophobicContact CE2-CB 4.37Å; F85-K117 HydrophobicContact CE2-CD 4.15Å; E89-K117 IonicContact OE1-NZ 3.44Å; E89-K117 PolarHBondContact OE1-NZ 2.91Å; E89-K117 IonicContact OE2-NZ 3.54Å; E89-K117 PolarHBondContact OE2-NZ 3.49Å; K113-K117 WeakPolarHBondContact O-CB 3.22Å; K113-K117 PolarHBondContact O-N 3.11Å; D114-K117 PolarHBondContact O-N 2.91Å; V115-K117 VanDerWaalsContact C-N 3.32Å; V115-K117 PolarHBondContact O-N 3Å; K117-C119 PolarHBondContact O-N 3.33Å; K117-Q120 VanDerWaalsContact O-CB 3.27Å; K117-Q120 WeakPolarHBondContact O-CB 3.42Å; K117-Q120 PolarHBondContact O-N 3.19Å; K117-Q120 VanDerWaalsContact O-N 3.1Å
118	S	97.6	Very high	97.6	Very high	59 Å²	59	40.5 Å²	40.5	41%	0.413	21%	0.205	S	C	.	.	H	α-helix	trans	-65.6	-21	174.7	76.3	0	0	0	0	113.7	D114 V115 I116	D114-S118 PolarHBondContact O-N 2.9Å; V115-S118 PolarHBondContact O-N 3.44Å; V115-S118 VanDerWaalsContact O-N 3.16Å; V115-S118 PolarHBondContact O-OG 3.31Å; I116-S118 VanDerWaalsContact C-N 3.28Å; I116-S118 PolarHBondContact O-N 2.96Å
119	C	97.3	Very high	97.7	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.014	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	22.4	173.2	-69	0	0	0	0	113.2	K10 T12 V23 C25 V115 I116 K117 V121	K10-C119 HydrophobicContact CB-CB 4.26Å; T12-C119 WeakPolarHBondContact CG2-SG 3.47Å; V23-C119 HydrophobicContact CG1-CB 4.31Å; C25-C119 HydrophobicContact CB-CB 4.04Å; C25-C119 WeakPolarHBondContact CB-O 3.17Å; V115-C119 PolarHBondContact O-N 3.24Å; I116-C119 CarbonylContact O-C 3.57Å; I116-C119 WeakPolarHBondContact O-CA 3.1Å; I116-C119 PolarHBondContact O-N 2.75Å; K117-C119 PolarHBondContact O-N 3.33Å; C119-V121 PolarHBondContact O-N 3.06Å
120	Q	97.7	Very high	97.7	Very high	64 Å²	64	46 Å²	46	30%	0.299	23%	0.233	S	C	.	.			trans	-57.4	126.9	-178.3	177	170.3	-7.6	0	0	112.6	K10 K117 W122	K10-Q120 WeakPolarHBondContact CD-O 3.39Å; K10-Q120 WeakPolarHBondContact CE-O 3.23Å; K10-Q120 PolarHBondContact NZ-O 3.33Å; K117-Q120 VanDerWaalsContact O-CB 3.27Å; K117-Q120 WeakPolarHBondContact O-CB 3.42Å; K117-Q120 PolarHBondContact O-N 3.19Å; K117-Q120 VanDerWaalsContact O-N 3.1Å; Q120-W122 HydrophobicContact CB-CH2 4.11Å; Q120-W122 HydrophobicContact CB-CZ2 4.02Å; Q120-W122 HydrophobicContact CB-CZ3 4.45Å; Q120-W122 HydrophobicContact CG-CD2 3.82Å; Q120-W122 HydrophobicContact CG-CE3 4.28Å; Q120-W122 HydrophobicContact CG-CG 4.19Å; Q120-W122 HydrophobicContact CG-CH2 4.32Å; Q120-W122 HydrophobicContact CG-CZ2 3.88Å; Q120-W122 WeakPolarHBondContact CG-O 3.39Å; Q120-W122 PolarHBondContact NE2-O 3.19Å
121	V	97.3	Very high	97.8	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.055	21%	0.205	C	C	.	.			trans	-128.2	-6.8	177.3	-68.5	0	0	0	0	113.4	R8 K10 C25 E27 C119	R8-V121 HydrophobicContact CB-CB 4.39Å; R8-V121 VanDerWaalsContact CZ-O 3.26Å; R8-V121 PolarHBondContact NE-O 3.33Å; R8-V121 PolarHBondContact NH2-O 2.93Å; R8-V121 VanDerWaalsContact NH2-O 3.08Å; K10-V121 HydrophobicContact CB-CG1 3.82Å; K10-V121 HydrophobicContact CD-CG1 3.99Å; K10-V121 HydrophobicContact CG-CG1 3.7Å; C25-V121 HydrophobicContact CB-CG2 3.84Å; E27-V121 HydrophobicContact CB-CB 4.23Å; E27-V121 HydrophobicContact CB-CG2 3.93Å; C119-V121 PolarHBondContact O-N 3.06Å
122	W	95.8	Very high	97.7	Very high	43 Å²	43	39.5 Å²	39.5	16%	0.163	20%	0.199	C	C	.	.			trans	-87	0	172.4	56.8	92.1	0	0	0	111.2	C25 I32 F85 V86 E89 A90 I116 Q120	C25-W122 HydrophobicContact CB-CZ3 4.34Å; I32-W122 HydrophobicContact CD1-CB 3.89Å; I32-W122 HydrophobicContact CG1-CB 4.44Å; I32-W122 HydrophobicContact CG2-CE3 4.04Å; I32-W122 HydrophobicContact CG2-CZ3 4.38Å; F85-W122 HydrophobicContact CE2-CZ2 4.16Å; V86-W122 HydrophobicContact CB-CH2 4.31Å; V86-W122 HydrophobicContact CB-CZ2 4.29Å; V86-W122 HydrophobicContact CG1-CD2 3.92Å; V86-W122 HydrophobicContact CG1-CE3 3.73Å; V86-W122 HydrophobicContact CG1-CH2 3.87Å; V86-W122 HydrophobicContact CG1-CZ2 4.03Å; V86-W122 HydrophobicContact CG1-CZ3 3.71Å; V86-W122 HydrophobicContact CG2-CH2 3.74Å; V86-W122 HydrophobicContact CG2-CZ2 3.94Å; V86-W122 HydrophobicContact CG2-CZ3 4.32Å; E89-W122 VanDerWaalsContact CB-NE1 3.26Å; E89-W122 PolarHBondContact OE2-NE1 2.92Å; A90-W122 HydrophobicContact CB-CB 3.58Å; A90-W122 HydrophobicContact CB-CG 3.8Å; I116-W122 HydrophobicContact CG2-CH2 4.04Å; Q120-W122 HydrophobicContact CB-CH2 4.11Å; Q120-W122 HydrophobicContact CB-CZ2 4.02Å; Q120-W122 HydrophobicContact CB-CZ3 4.45Å; Q120-W122 HydrophobicContact CG-CD2 3.82Å; Q120-W122 HydrophobicContact CG-CE3 4.28Å; Q120-W122 HydrophobicContact CG-CG 4.19Å; Q120-W122 HydrophobicContact CG-CH2 4.32Å; Q120-W122 HydrophobicContact CG-CZ2 3.88Å; Q120-W122 WeakPolarHBondContact CG-O 3.39Å; Q120-W122 PolarHBondContact NE2-O 3.19Å

Retrieved 122 of 122 residues in 156.4 ms (Link to these results)

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