YH034_YEAST Loading...

Putative uncharacterized protein YHL034W-A

AlphaFold DB , UniProt , Accession A0A023PZH9, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 153 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	24.8	Very low	29.9	Very low	236 Å²	236	115.7 Å²	115.7	100%	1.163	57%	0.567	S	S	*	*				0	112.1	0	-172.4	-179.4	-137.4	0	0	106.6
2	W	28.5	Very low	30.5	Very low	128 Å²	128	114.8 Å²	114.8	49%	0.485	58%	0.581	S	S	.	*			trans	-77.6	131.6	177.7	-81.6	79.4	0	0	0	109.7	R4 E88 W122	W2-R4 PolarHBondContact O-N 2.88Å; W2-E88 HydrophobicContact CH2-CB 4.18Å; W2-E88 HydrophobicContact CH2-CG 4.4Å; W2-E88 VanDerWaalsContact CH2-OE2 3.29Å; W2-E88 WeakPolarHBondContact CH2-OE2 3.15Å; W2-E88 HydrophobicContact CZ3-CB 4.09Å; W2-E88 HydrophobicContact CZ3-CG 3.89Å; W2-E88 VanDerWaalsContact CZ3-OE2 3.24Å; W2-E88 WeakPolarHBondContact CZ3-OE2 3.49Å; W2-W122 AromaticContact CE2-CZ3 3.7Å; W2-W122 AromaticContact CH2-CH2 3.28Å; W2-W122 HydrophobicContact CH2-CH2 3.28Å; W2-W122 HydrophobicContact CH2-CZ2 4.29Å; W2-W122 AromaticContact CH2-CZ3 3.47Å; W2-W122 HydrophobicContact CH2-CZ3 3.47Å; W2-W122 VanDerWaalsContact CH2-CZ3 3.47Å; W2-W122 AromaticContact CZ2-CE3 3.9Å; W2-W122 HydrophobicContact CZ2-CE3 3.9Å; W2-W122 AromaticContact CZ2-CH2 3.13Å; W2-W122 HydrophobicContact CZ2-CH2 3.13Å; W2-W122 AromaticContact CZ2-CZ2 3.89Å; W2-W122 HydrophobicContact CZ2-CZ2 3.89Å; W2-W122 AromaticContact CZ2-CZ3 3.12Å; W2-W122 HydrophobicContact CZ2-CZ3 3.12Å; W2-W122 HydrophobicContact CZ3-CH2 4.37Å; W2-W122 HydrophobicContact CZ3-CZ3 4.28Å
3	V	23.4	Very low	31.2	Very low	115 Å²	115	112.4 Å²	112.4	70%	0.697	57%	0.566	S	S	*	*			trans	-71.2	119.4	178.3	-177.5	0	0	0	0	107.6	S5	V3-S5 VanDerWaalsContact C-N 3.29Å; V3-S5 PolarHBondContact O-N 2.67Å; V3-S5 PolarHBondContact O-OG 2.78Å
4	R	29.1	Very low	31.7	Very low	235 Å²	235	108 Å²	108	89%	0.887	55%	0.549	S	S	*	.			trans	-60.9	94.1	171.2	-158.7	180	-167.4	172	3.4	107.6	W2 N6	W2-R4 PolarHBondContact O-N 2.88Å; R4-N6 PolarHBondContact O-N 2.79Å
5	S	28.9	Very low	32.8	Very low	54 Å²	54	101.1 Å²	101.1	38%	0.378	51%	0.514	S	S	.	.			trans	-88.6	108.5	-178.3	-63.8	0	0	0	0	108.4	V3 Y7	V3-S5 VanDerWaalsContact C-N 3.29Å; V3-S5 PolarHBondContact O-N 2.67Å; V3-S5 PolarHBondContact O-OG 2.78Å; S5-Y7 VanDerWaalsContact CB-CE2 3.43Å; S5-Y7 WeakPolarHBondContact O-CD2 3.12Å; S5-Y7 PolarHBondContact O-N 2.88Å
6	N	29.2	Very low	33.5	Very low	156 Å²	156	97.3 Å²	97.3	83%	0.834	50%	0.499	S	S	*	.			trans	-75.6	97.3	170	-81.3	-27	0	0	0	107.8	R4	R4-N6 PolarHBondContact O-N 2.79Å
7	Y	33	Very low	34.2	Very low	69 Å²	69	91.7 Å²	91.7	27%	0.271	47%	0.471	S	S	.	.			trans	-86.5	128.2	169	-43.8	-88	0	0	0	109.8	S5 L81 L84 L129	S5-Y7 VanDerWaalsContact CB-CE2 3.43Å; S5-Y7 WeakPolarHBondContact O-CD2 3.12Å; S5-Y7 PolarHBondContact O-N 2.88Å; Y7-L81 HydrophobicContact CD2-CD1 4.1Å; Y7-L84 HydrophobicContact CD1-CD1 3.16Å; Y7-L84 HydrophobicContact CD1-CD2 4.01Å; Y7-L84 HydrophobicContact CD1-CG 4.17Å; Y7-L84 HydrophobicContact CD2-CD1 3.73Å; Y7-L84 HydrophobicContact CE1-CB 4.41Å; Y7-L84 HydrophobicContact CE1-CD1 3.26Å; Y7-L84 HydrophobicContact CE1-CD2 3.36Å; Y7-L84 HydrophobicContact CE1-CG 3.81Å; Y7-L84 HydrophobicContact CE2-CB 4.46Å; Y7-L84 HydrophobicContact CE2-CD1 3.81Å; Y7-L84 HydrophobicContact CG-CD1 3.38Å; Y7-L129 HydrophobicContact CD2-CD1 3.65Å; Y7-L129 HydrophobicContact CG-CD1 3.97Å; Y7-L129 VanDerWaalsContact O-CD1 3.26Å; Y7-L129 WeakPolarHBondContact O-CD1 3.32Å; Y7-L129 WeakPolarHBondContact O-CG 3.48Å
8	S	28.6	Very low	34.7	Very low	96 Å²	96	89.3 Å²	89.3	67%	0.671	46%	0.464	S	S	*	.			trans	-85.2	143.8	170.5	51.7	0	0	0	0	108.9
9	C	34	Very low	35.3	Very low	8 Å²	8	84.7 Å²	84.7	5%	0.054	44%	0.44	C	S	.	.			trans	-141.6	157.8	168.7	84.7	0	0	0	0	110.6	V77 L129 C131	C9-V77 HydrophobicContact CB-CB 4.17Å; C9-V77 HydrophobicContact CB-CG1 4.25Å; C9-V77 HydrophobicContact CB-CG2 3.98Å; C9-V77 WeakPolarHBondContact SG-CB 3.45Å; C9-V77 WeakPolarHBondContact SG-CG1 3.16Å; C9-V77 WeakPolarHBondContact SG-CG2 3.38Å; C9-L129 HydrophobicContact CB-CD2 4.18Å; C9-C131 VanDerWaalsContact CA-SG 3.52Å; C9-C131 HydrophobicContact CB-CB 4.12Å; C9-C131 WeakPolarHBondContact CB-SG 2.8Å; C9-C131 PolarHBondContact N-SG 2.87Å; C9-C131 WeakPolarHBondContact O-CB 3.43Å; C9-C131 WeakPolarHBondContact SG-CB 3.16Å; C9-C131 CovalentContact SG-SG 1.93Å; C9-C131 PolarHBondContact SG-SG 3.26Å
10	F	31.4	Very low	35.6	Very low	168 Å²	168	83.5 Å²	83.5	74%	0.737	44%	0.439	S	S	*	.			trans	-105.3	117.6	-172.9	-66.2	-83.4	0	0	0	109.4
11	S	38.1	Very low	35.8	Very low	8 Å²	8	80.8 Å²	80.8	6%	0.056	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-135.2	143.1	173	178.5	0	0	0	0	110.4	E13 V15 K134	S11-E13 WeakPolarHBondContact CB-O 3.45Å; S11-E13 PolarHBondContact OG-N 2.99Å; S11-E13 PolarHBondContact OG-O 2.88Å; S11-V15 VanDerWaalsContact OG-CG2 3.24Å; S11-V15 WeakPolarHBondContact OG-CG2 3.37Å; S11-K134 PolarHBondContact O-N 2.77Å; S11-K134 VanDerWaalsContact O-N 3.15Å
12	S	37.5	Very low	36.2	Very low	105 Å²	105	71.8 Å²	71.8	73%	0.734	39%	0.387	S	S	*	.	S	Bend	trans	-76.5	-11.4	172.7	51.5	0	0	0	0	113.1	L133	S12-L133 WeakPolarHBondContact O-CD2 3.48Å
13	E	39.6	Very low	36.5	Very low	83 Å²	83	68.7 Å²	68.7	39%	0.388	39%	0.385	S	S	.	.	S	Bend	trans	-127.5	152.7	174.6	-69.3	-173.8	130.7	0	0	109.4	S11 V15 V34 S36	S11-E13 WeakPolarHBondContact CB-O 3.45Å; S11-E13 PolarHBondContact OG-N 2.99Å; S11-E13 PolarHBondContact OG-O 2.88Å; E13-V15 WeakPolarHBondContact O-CG2 3.48Å; E13-V15 PolarHBondContact O-N 3.12Å; E13-V15 VanDerWaalsContact O-N 3.13Å; E13-V34 HydrophobicContact CB-CG1 3.73Å; E13-V34 HydrophobicContact CG-CG1 4.47Å; E13-V34 VanDerWaalsContact OE2-CG1 3.23Å; E13-V34 WeakPolarHBondContact OE2-CG1 3.25Å; E13-S36 PolarHBondContact OE1-OG 2.82Å
14	P	38.4	Very low	36.9	Very low	51 Å²	51	72.7 Å²	72.7	33%	0.331	39%	0.393	S	S	.	.			trans	-68.3	115.8	176	22.3	-19.6	0	0	0	108.5	N35 L133	P14-N35 HydrophobicContact CB-CB 4.44Å; P14-N35 HydrophobicContact CG-CB 3.81Å; P14-N35 PolarHBondContact O-N 3.41Å; P14-N35 VanDerWaalsContact O-N 3.16Å; P14-L133 HydrophobicContact CB-CD1 3.71Å; P14-L133 HydrophobicContact CB-CG 4.16Å; P14-L133 HydrophobicContact CG-CD1 3.67Å; P14-L133 HydrophobicContact CG-CG 4.32Å
15	V	47.5	Very low	37.3	Very low	5 Å²	5	64.2 Å²	64.2	3%	0.03	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.6	-177.9	174.8	0	0	0	0	108.4	S11 E13 T33 V34 L75 V77	S11-V15 VanDerWaalsContact OG-CG2 3.24Å; S11-V15 WeakPolarHBondContact OG-CG2 3.37Å; E13-V15 WeakPolarHBondContact O-CG2 3.48Å; E13-V15 PolarHBondContact O-N 3.12Å; E13-V15 VanDerWaalsContact O-N 3.13Å; V15-T33 WeakPolarHBondContact CA-O 3.4Å; V15-V34 HydrophobicContact CG2-CG1 4.38Å; V15-V34 HydrophobicContact CG2-CG2 4.35Å; V15-L75 HydrophobicContact CB-CD1 4.06Å; V15-L75 HydrophobicContact CG1-CB 4.28Å; V15-L75 HydrophobicContact CG1-CD1 3.63Å; V15-L75 HydrophobicContact CG1-CG 4.48Å; V15-L75 HydrophobicContact CG2-CD1 3.21Å; V15-L75 HydrophobicContact CG2-CD2 3.83Å; V15-L75 HydrophobicContact CG2-CG 3.99Å; V15-V77 HydrophobicContact CG1-CB 4.44Å; V15-V77 HydrophobicContact CG1-CG1 4.02Å
16	S	43.6	Very low	37.5	Very low	39 Å²	39	61.8 Å²	61.8	27%	0.273	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.5	168.1	97.4	0	0	0	0	108.6	S32 T33	S16-S32 WeakPolarHBondContact O-CA 2.95Å; S16-T33 PolarHBondContact N-O 2.66Å; S16-T33 PolarHBondContact O-N 3.47Å; S16-T33 PolarHBondContact OG-OG1 3.47Å
17	C	45.9	Very low	38	Very low	3 Å²	3	56.6 Å²	56.6	2%	0.02	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	114.8	170.6	-155	0	0	0	0	108.2	T31 V77 C78 L81 L129	C17-T31 CarbonylContact C-O 3.56Å; C17-T31 VanDerWaalsContact CA-O 3.25Å; C17-T31 WeakPolarHBondContact CA-O 3.49Å; C17-V77 HydrophobicContact CB-CG1 4.22Å; C17-C78 HydrophobicContact CB-CB 4.41Å; C17-C78 WeakPolarHBondContact CB-SG 3.09Å; C17-C78 WeakPolarHBondContact SG-CA 3.48Å; C17-C78 WeakPolarHBondContact SG-CB 3.03Å; C17-C78 CovalentContact SG-SG 2.05Å; C17-C78 PolarHBondContact SG-SG 3.16Å; C17-L81 HydrophobicContact CB-CD2 4.19Å; C17-L129 HydrophobicContact CB-CB 4.22Å; C17-L129 PolarHBondContact N-O 3.46Å; C17-L129 PolarHBondContact O-N 3.22Å
18	S	43.2	Very low	38.3	Very low	49 Å²	49	54 Å²	54	34%	0.343	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.6	178.2	61.8	0	0	0	0	110.6	A30 T31	S18-A30 CarbonylContact O-C 3.47Å; S18-A30 WeakPolarHBondContact O-CA 3.38Å; S18-T31 PolarHBondContact N-O 2.64Å; S18-T31 PolarHBondContact O-N 3.19Å
19	I	45.5	Very low	39	Very low	2 Å²	2	51 Å²	51	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117	177.9	-58.7	-164.1	0	0	0	108.8	I28 T29 A30 L81 I85 F127	I19-I28 HydrophobicContact CG2-CG2 3.1Å; I19-T29 CarbonylContact C-O 3.48Å; I19-T29 VanDerWaalsContact CA-O 3.24Å; I19-T29 WeakPolarHBondContact CA-O 3.41Å; I19-A30 HydrophobicContact CD1-CB 3.71Å; I19-A30 HydrophobicContact CG1-CB 3.57Å; I19-L81 HydrophobicContact CD1-CB 4.25Å; I19-L81 HydrophobicContact CD1-CD2 3.2Å; I19-L81 HydrophobicContact CD1-CG 3.48Å; I19-L81 VanDerWaalsContact CD1-CG 3.48Å; I19-L81 HydrophobicContact CG1-CD2 3.46Å; I19-L81 VanDerWaalsContact CG1-CD2 3.46Å; I19-L81 HydrophobicContact CG1-CG 4.28Å; I19-I85 HydrophobicContact CD1-CD1 3.27Å; I19-I85 HydrophobicContact CG2-CD1 4.03Å; I19-F127 WeakPolarHBondContact CA-O 3.34Å; I19-F127 HydrophobicContact CB-CB 4.11Å; I19-F127 WeakPolarHBondContact CB-O 3.23Å; I19-F127 PolarHBondContact N-O 3.3Å; I19-F127 PolarHBondContact O-N 3.32Å
20	S	41.2	Very low	39.5	Very low	59 Å²	59	51 Å²	51	41%	0.413	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.2	173.1	58.7	0	0	0	0	110.1	I28 T29	S20-I28 CarbonylContact O-C 3.58Å; S20-I28 VanDerWaalsContact O-CA 3.32Å; S20-I28 WeakPolarHBondContact O-CA 3.31Å; S20-T29 PolarHBondContact N-O 3.26Å; S20-T29 PolarHBondContact O-N 3.32Å
21	S	39.7	Very low	40.2	Very low	28 Å²	28	44.5 Å²	44.5	20%	0.196	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	144.5	169.9	67.8	0	0	0	0	110.7	L27 G125	S21-L27 CarbonylContact C-O 3.58Å; S21-L27 WeakPolarHBondContact CA-O 3.38Å; S21-G125 PolarHBondContact N-O 3.18Å; S21-G125 PolarHBondContact OG-N 2.88Å; S21-G125 PolarHBondContact OG-O 2.94Å
22	S	34.8	Very low	40.4	Very low	47 Å²	47	44.4 Å²	44.4	33%	0.329	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	114.5	172.9	164.3	0	0	0	0	109.4	F24 S25 G26 L27	S22-F24 PolarHBondContact O-N 3.45Å; S22-S25 VanDerWaalsContact CB-OG 3.27Å; S22-S25 WeakPolarHBondContact CB-OG 3.18Å; S22-S25 PolarHBondContact O-N 3.02Å; S22-S25 PolarHBondContact OG-OG 2.97Å; S22-G26 WeakPolarHBondContact O-CA 3.15Å; S22-G26 PolarHBondContact O-N 3.28Å; S22-L27 PolarHBondContact N-O 2.9Å
23	S	33.4	Very low	40.8	Very low	62 Å²	62	42.3 Å²	42.3	43%	0.434	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.2	177	56.2	0	0	0	0	113.8	S25 N124	S23-S25 VanDerWaalsContact C-N 3.31Å; S23-S25 PolarHBondContact O-N 3.35Å; S23-N124 WeakPolarHBondContact CB-OD1 3.24Å; S23-N124 PolarHBondContact N-OD1 2.95Å; S23-N124 PolarHBondContact OG-ND2 3.13Å; S23-N124 PolarHBondContact OG-OD1 3.1Å
24	F	32.7	Very low	40.9	Very low	199 Å²	199	40 Å²	40	87%	0.873	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-22.6	-179	-165.4	-98.2	0	0	0	113.2	S22	S22-F24 PolarHBondContact O-N 3.45Å
25	S	37	Very low	41	Very low	57 Å²	57	44 Å²	44	40%	0.399	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-6	-171.8	59.9	0	0	0	0	113.5	S22 S23 L27	S22-S25 VanDerWaalsContact CB-OG 3.27Å; S22-S25 WeakPolarHBondContact CB-OG 3.18Å; S22-S25 PolarHBondContact O-N 3.02Å; S22-S25 PolarHBondContact OG-OG 2.97Å; S23-S25 VanDerWaalsContact C-N 3.31Å; S23-S25 PolarHBondContact O-N 3.35Å; S25-L27 PolarHBondContact O-N 3.45Å; S25-L27 VanDerWaalsContact O-N 3.14Å; S25-L27 WeakPolarHBondContact OG-CB 3.4Å; S25-L27 WeakPolarHBondContact OG-CD1 3.46Å; S25-L27 WeakPolarHBondContact OG-CG 3.48Å
26	G	33.9	Very low	40.3	Very low	3 Å²	3	46.4 Å²	46.4	3%	0.031	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	7.9	-173.2	0	0	0	0	0	113.9	S22 I28 F117	S22-G26 WeakPolarHBondContact O-CA 3.15Å; S22-G26 PolarHBondContact O-N 3.28Å; G26-I28 PolarHBondContact O-N 3.42Å; G26-F117 CarbonylContact C-O 3.13Å; G26-F117 WeakPolarHBondContact CA-O 3.35Å; G26-F117 CarbonylContact O-C 3.5Å; G26-F117 PolarHBondContact O-N 2.77Å
27	L	38.6	Very low	39.7	Very low	47 Å²	47	52.2 Å²	52.2	25%	0.246	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	121.8	-172.4	-63.9	177.8	0	0	0	110.5	S21 S22 S25 S116	S21-L27 CarbonylContact C-O 3.58Å; S21-L27 WeakPolarHBondContact CA-O 3.38Å; S22-L27 PolarHBondContact N-O 2.9Å; S25-L27 PolarHBondContact O-N 3.45Å; S25-L27 VanDerWaalsContact O-N 3.14Å; S25-L27 WeakPolarHBondContact OG-CB 3.4Å; S25-L27 WeakPolarHBondContact OG-CD1 3.46Å; S25-L27 WeakPolarHBondContact OG-CG 3.48Å; L27-S116 WeakPolarHBondContact CD2-OG 3.14Å
28	I	40.3	Very low	38.8	Very low	15 Å²	15	56.5 Å²	56.5	8%	0.077	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.9	164	-54.2	-174.6	0	0	0	108.7	I19 S20 G26 I85 K114 V115 F117 L119	I19-I28 HydrophobicContact CG2-CG2 3.1Å; S20-I28 CarbonylContact O-C 3.58Å; S20-I28 VanDerWaalsContact O-CA 3.32Å; S20-I28 WeakPolarHBondContact O-CA 3.31Å; G26-I28 PolarHBondContact O-N 3.42Å; I28-I85 HydrophobicContact CD1-CG2 4.18Å; I28-I85 HydrophobicContact CG2-CD1 4.49Å; I28-K114 CarbonylContact O-C 3.48Å; I28-K114 WeakPolarHBondContact O-CA 3.29Å; I28-V115 CarbonylContact C-O 3.39Å; I28-V115 VanDerWaalsContact CA-O 3.24Å; I28-V115 WeakPolarHBondContact CA-O 3.36Å; I28-V115 WeakPolarHBondContact CB-O 3.18Å; I28-V115 PolarHBondContact N-O 3.37Å; I28-V115 CarbonylContact O-C 3.51Å; I28-V115 PolarHBondContact O-N 2.84Å; I28-F117 HydrophobicContact CB-CD2 4.48Å; I28-F117 HydrophobicContact CD1-CD2 3.61Å; I28-F117 HydrophobicContact CD1-CE2 3.9Å; I28-F117 HydrophobicContact CG1-CD2 4Å; I28-L119 HydrophobicContact CD1-CD1 4.13Å; I28-L119 HydrophobicContact CG1-CD1 4.06Å
29	T	43.7	Very low	38.1	Very low	34 Å²	34	59.9 Å²	59.9	21%	0.209	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	110.9	-178.5	-55	0	0	0	0	108.5	I19 S20 I112	I19-T29 CarbonylContact C-O 3.48Å; I19-T29 VanDerWaalsContact CA-O 3.24Å; I19-T29 WeakPolarHBondContact CA-O 3.41Å; S20-T29 PolarHBondContact N-O 3.26Å; S20-T29 PolarHBondContact O-N 3.32Å; T29-I112 HydrophobicContact CG2-CG2 3.49Å; T29-I112 VanDerWaalsContact CG2-CG2 3.49Å
30	A	43.7	Very low	37.1	Very low	6 Å²	6	67.7 Å²	67.7	5%	0.05	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.3	174.5	0	0	0	0	0	110.8	S18 I19 I112 Y113	S18-A30 CarbonylContact O-C 3.47Å; S18-A30 WeakPolarHBondContact O-CA 3.38Å; I19-A30 HydrophobicContact CD1-CB 3.71Å; I19-A30 HydrophobicContact CG1-CB 3.57Å; A30-I112 CarbonylContact O-C 3.59Å; A30-I112 WeakPolarHBondContact O-CA 3.35Å; A30-Y113 VanDerWaalsContact CB-O 3.3Å; A30-Y113 WeakPolarHBondContact CB-O 3.24Å; A30-Y113 PolarHBondContact N-O 3.21Å; A30-Y113 PolarHBondContact O-N 2.99Å
31	T	45.8	Very low	36.2	Very low	33 Å²	33	71 Å²	71	20%	0.202	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.9	-178	-50.2	0	0	0	0	110	C17 S18 L111	C17-T31 CarbonylContact C-O 3.56Å; C17-T31 VanDerWaalsContact CA-O 3.25Å; C17-T31 WeakPolarHBondContact CA-O 3.49Å; S18-T31 PolarHBondContact N-O 2.64Å; S18-T31 PolarHBondContact O-N 3.19Å; T31-L111 WeakPolarHBondContact CA-O 3.24Å; T31-L111 WeakPolarHBondContact CG2-O 3.37Å
32	S	43.4	Very low	35.4	Very low	6 Å²	6	75.9 Å²	75.9	4%	0.042	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.3	174.3	-167.4	0	0	0	0	109.9	S16 C78 L110 L111	S16-S32 WeakPolarHBondContact O-CA 2.95Å; S32-C78 WeakPolarHBondContact CB-SG 3.02Å; S32-C78 PolarHBondContact OG-SG 3.15Å; S32-C78 VanDerWaalsContact OG-SG 3.34Å; S32-L110 WeakPolarHBondContact CB-O 3.32Å; S32-L111 PolarHBondContact N-O 3.39Å
33	T	44.9	Very low	34.8	Very low	60 Å²	60	79.6 Å²	79.6	37%	0.368	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.8	170.8	43.4	0	0	0	0	110.6	V15 S16	V15-T33 WeakPolarHBondContact CA-O 3.4Å; S16-T33 PolarHBondContact N-O 2.66Å; S16-T33 PolarHBondContact O-N 3.47Å; S16-T33 PolarHBondContact OG-OG1 3.47Å
34	V	41.4	Very low	34.4	Very low	34 Å²	34	81.9 Å²	81.9	21%	0.206	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.2	173.8	-164.7	0	0	0	0	107.2	E13 V15 S36 L75 T109	E13-V34 HydrophobicContact CB-CG1 3.73Å; E13-V34 HydrophobicContact CG-CG1 4.47Å; E13-V34 VanDerWaalsContact OE2-CG1 3.23Å; E13-V34 WeakPolarHBondContact OE2-CG1 3.25Å; V15-V34 HydrophobicContact CG2-CG1 4.38Å; V15-V34 HydrophobicContact CG2-CG2 4.35Å; V34-S36 PolarHBondContact O-N 2.83Å; V34-L75 HydrophobicContact CG2-CD1 3.22Å; V34-T109 HydrophobicContact CG2-CG2 4.49Å
35	N	40	Very low	33.9	Very low	137 Å²	137	79.3 Å²	79.3	73%	0.733	46%	0.456	S	S	*	.	S	Bend	trans	-78.8	61	-175.6	-119	10.2	0	0	0	111.1	P14	P14-N35 HydrophobicContact CB-CB 4.44Å; P14-N35 HydrophobicContact CG-CB 3.81Å; P14-N35 PolarHBondContact O-N 3.41Å; P14-N35 VanDerWaalsContact O-N 3.16Å
36	S	33.3	Very low	33.2	Very low	54 Å²	54	82.1 Å²	82.1	38%	0.378	48%	0.475	S	S	.	.	S	Bend	trans	-157.6	132.8	162.8	66.9	0	0	0	0	108	E13 V34	E13-S36 PolarHBondContact OE1-OG 2.82Å; V34-S36 PolarHBondContact O-N 2.83Å
37	L	31.4	Very low	32.7	Very low	161 Å²	161	87.4 Å²	87.4	84%	0.843	51%	0.512	S	S	*	.			trans	85.9	113.9	179.2	-57.7	125	0	0	0	116.6
38	S	28	Very low	32.1	Very low	94 Å²	94	89 Å²	89	66%	0.657	53%	0.532	S	S	*	.			trans	-47	140.8	160.7	32.7	0	0	0	0	111.1	K40	S38-K40 PolarHBondContact O-N 3.3Å
39	P	28.2	Very low	31.5	Very low	119 Å²	119	92.3 Å²	92.3	77%	0.773	55%	0.549	S	S	*	.			trans	-60.2	109.6	-175.6	23.1	-31.9	0	0	0	110.1
40	K	23.3	Very low	30.6	Very low	167 Å²	167	95.1 Å²	95.1	73%	0.726	58%	0.576	S	S	*	*			trans	-104.3	113.1	171.7	-97.6	-172.9	175.2	-178.8	0	109.8	S38 L42 N107	S38-K40 PolarHBondContact O-N 3.3Å; K40-L42 PolarHBondContact O-N 3.44Å; K40-N107 WeakPolarHBondContact O-CB 3.2Å; K40-N107 PolarHBondContact O-ND2 2.89Å; K40-N107 VanDerWaalsContact O-ND2 3.1Å; K40-N107 PolarHBondContact O-OD1 2.82Å
41	T	23.8	Very low	29.9	Very low	128 Å²	128	99.6 Å²	99.6	79%	0.785	61%	0.607	S	S	*	*			trans	-66	120	179	-29.9	0	0	0	0	111.1	N107	T41-N107 VanDerWaalsContact CA-OD1 3.25Å; T41-N107 WeakPolarHBondContact CA-OD1 3.22Å
42	L	23	Very low	29.2	Very low	130 Å²	130	99.5 Å²	99.5	68%	0.681	61%	0.605	S	S	*	*			trans	-128.2	135.9	166.1	-85.3	163.7	0	0	0	108.9	K40 L44 N107	K40-L42 PolarHBondContact O-N 3.44Å; L42-L44 PolarHBondContact O-N 2.85Å; L42-N107 PolarHBondContact N-OD1 3.12Å
43	P	21.3	Very low	28.6	Very low	125 Å²	125	103.3 Å²	103.3	81%	0.812	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-74.5	126.7	-178.6	30.6	-31.3	0	0	0	109.8
44	L	24.9	Very low	28	Very low	110 Å²	110	102.9 Å²	102.9	58%	0.576	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-94.8	123.5	174.4	-88.3	158.5	0	0	0	110.1	L42 A105	L42-L44 PolarHBondContact O-N 2.85Å; L44-A105 HydrophobicContact CD1-CB 4.08Å
45	N	23	Very low	27.8	Very low	146 Å²	146	102.3 Å²	102.3	78%	0.781	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-69.8	129	170.2	-137.9	-6.7	0	0	0	108.6	S47	N45-S47 PolarHBondContact O-N 2.82Å; N45-S47 VanDerWaalsContact O-N 3.14Å
46	S	22	Very low	27.7	Very low	116 Å²	116	97.9 Å²	97.9	81%	0.811	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	25.4	-150.1	40.1	0	0	0	0	117.2
47	S	23.5	Very low	28	Very low	114 Å²	114	96.7 Å²	96.7	80%	0.797	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-7	-171	11.7	0	0	0	0	116.3	N45	N45-S47 PolarHBondContact O-N 2.82Å; N45-S47 VanDerWaalsContact O-N 3.14Å
48	A	25	Very low	28.4	Very low	80 Å²	80	95 Å²	95	66%	0.661	59%	0.585	S	S	*	*	S	Bend	trans	-92.2	-2.7	-171.9	0	0	0	0	0	116
49	L	28.2	Very low	29.1	Very low	84 Å²	84	95.5 Å²	95.5	44%	0.44	58%	0.576	S	S	.	*			trans	-105.5	86	-175.4	-91.2	81.4	0	0	0	111.8	S51 L103	L49-S51 PolarHBondContact O-N 3.35Å; L49-L103 HydrophobicContact CD1-CD2 4.46Å; L49-L103 VanDerWaalsContact CD2-C 3.41Å; L49-L103 HydrophobicContact CD2-CB 3.63Å; L49-L103 HydrophobicContact CD2-CD2 4.13Å; L49-L103 HydrophobicContact CD2-CG 4.49Å; L49-L103 WeakPolarHBondContact CD2-O 3.43Å; L49-L103 HydrophobicContact CG-CB 4.14Å; L49-L103 HydrophobicContact CG-CD2 4.06Å
50	A	25.4	Very low	29.8	Very low	93 Å²	93	89.9 Å²	89.9	77%	0.769	54%	0.539	S	S	*	.			trans	-70.7	124.8	169.3	0	0	0	0	0	110.1	I52	A50-I52 PolarHBondContact O-N 2.88Å
51	S	28.4	Very low	30.7	Very low	100 Å²	100	85.1 Å²	85.1	70%	0.699	52%	0.524	S	S	*	.			trans	-63.1	120	174.5	57.7	0	0	0	0	110.7	L49 S53	L49-S51 PolarHBondContact O-N 3.35Å; S51-S53 PolarHBondContact O-N 2.9Å
52	I	30.9	Very low	31.6	Very low	32 Å²	32	83.9 Å²	83.9	16%	0.164	51%	0.513	C	S	.	.	B	Isolated β-bridge	trans	-86.4	89.8	164.7	-58	173	0	0	0	105.8	A50 T54 A63 S101	A50-I52 PolarHBondContact O-N 2.88Å; I52-T54 WeakPolarHBondContact CG2-O 3.39Å; I52-T54 PolarHBondContact O-N 2.88Å; I52-A63 HydrophobicContact CD1-CB 3.6Å; I52-S101 PolarHBondContact O-OG 3.33Å
53	S	30.9	Very low	32.5	Very low	86 Å²	86	78.3 Å²	78.3	60%	0.601	49%	0.486	S	S	*	.			trans	-78.5	1.4	-177.6	58.6	0	0	0	0	114.1	S51	S51-S53 PolarHBondContact O-N 2.9Å
54	T	31.4	Very low	33.4	Very low	51 Å²	51	75.2 Å²	75.2	31%	0.313	46%	0.462	S	S	.	.	S	Bend	trans	-143.7	111.8	179.4	32.9	0	0	0	0	109.8	I52 S56 K59	I52-T54 WeakPolarHBondContact CG2-O 3.39Å; I52-T54 PolarHBondContact O-N 2.88Å; T54-S56 PolarHBondContact O-N 2.85Å; T54-S56 VanDerWaalsContact O-N 3.15Å; T54-K59 PolarHBondContact OG1-NZ 2.86Å
55	F	37.8	Very low	33.9	Very low	22 Å²	22	73.7 Å²	73.7	10%	0.096	46%	0.458	C	S	.	.			trans	-74.5	106.3	178.4	-147.4	-82.7	0	0	0	109.2	V60 I82 G86 A99 Y113 V115 F117	F55-V60 HydrophobicContact CE1-CG2 4.19Å; F55-V60 HydrophobicContact CE2-CG2 4.36Å; F55-V60 HydrophobicContact CZ-CG2 4.13Å; F55-I82 HydrophobicContact CE2-CG2 4.42Å; F55-I82 HydrophobicContact CZ-CG2 3.95Å; F55-G86 VanDerWaalsContact CE1-CA 3.44Å; F55-A99 HydrophobicContact CB-CB 3.42Å; F55-A99 VanDerWaalsContact CB-CB 3.42Å; F55-A99 HydrophobicContact CG-CB 4.2Å; F55-Y113 HydrophobicContact CE2-CE1 4.25Å; F55-V115 HydrophobicContact CD2-CG1 3.58Å; F55-V115 HydrophobicContact CE2-CB 4.38Å; F55-V115 HydrophobicContact CE2-CG1 3.45Å; F55-V115 VanDerWaalsContact CE2-CG1 3.45Å; F55-V115 HydrophobicContact CE2-CG2 4Å; F55-V115 HydrophobicContact CZ-CG1 4.45Å; F55-F117 HydrophobicContact CD1-CZ 4.49Å; F55-F117 HydrophobicContact CD2-CE1 4.38Å; F55-F117 HydrophobicContact CD2-CZ 4.13Å; F55-F117 HydrophobicContact CE2-CZ 4.16Å; F55-F117 HydrophobicContact CG-CE1 4.23Å; F55-F117 HydrophobicContact CG-CZ 4.29Å; F55-F117 HydrophobicContact CZ-CZ 4.36Å
56	S	37.4	Very low	34.5	Very low	43 Å²	43	72.6 Å²	72.6	30%	0.301	45%	0.452	S	S	.	.			trans	-131	129.1	170.4	163.5	0	0	0	0	106.5	T54 L58 K59 V60	T54-S56 PolarHBondContact O-N 2.85Å; T54-S56 VanDerWaalsContact O-N 3.15Å; S56-L58 PolarHBondContact O-N 2.91Å; S56-L58 VanDerWaalsContact O-N 3.12Å; S56-L58 PolarHBondContact OG-N 2.84Å; S56-K59 WeakPolarHBondContact O-CA 3.12Å; S56-K59 PolarHBondContact O-N 3.19Å; S56-V60 PolarHBondContact O-N 3.35Å
57	P	39.7	Very low	35.2	Very low	30 Å²	30	68.5 Å²	68.5	20%	0.195	42%	0.42	C	S	.	.	H	α-helix	trans	-50.6	-39.3	177.2	-26.7	33.2	0	0	0	111.6	V60 T61 F83 E90	P57-V60 PolarHBondContact O-N 3.29Å; P57-T61 WeakPolarHBondContact O-CB 3.34Å; P57-T61 PolarHBondContact O-N 3.33Å; P57-T61 PolarHBondContact O-OG1 3.44Å; P57-F83 HydrophobicContact CB-CE2 4.09Å; P57-E90 WeakPolarHBondContact CG-OE2 3.23Å
58	L	40.6	Very low	35.8	Very low	124 Å²	124	67 Å²	67	65%	0.649	42%	0.415	S	S	*	.	H	α-helix	trans	-62.9	-42.3	175.9	-130.6	99.6	0	0	0	113	S56 T61 N62	S56-L58 PolarHBondContact O-N 2.91Å; S56-L58 VanDerWaalsContact O-N 3.12Å; S56-L58 PolarHBondContact OG-N 2.84Å; L58-T61 PolarHBondContact O-N 3.3Å; L58-N62 WeakPolarHBondContact O-CB 3.01Å; L58-N62 PolarHBondContact O-N 3.29Å; L58-N62 PolarHBondContact O-ND2 3.32Å
59	K	41.9	Very low	36.3	Very low	106 Å²	106	71.1 Å²	71.1	46%	0.461	42%	0.421	S	S	.	.	H	α-helix	trans	-69.6	-37.4	177.5	-71.1	-171.1	-179.9	-173	0	111.9	T54 S56 N62 A63	T54-K59 PolarHBondContact OG1-NZ 2.86Å; S56-K59 WeakPolarHBondContact O-CA 3.12Å; S56-K59 PolarHBondContact O-N 3.19Å; K59-N62 PolarHBondContact O-N 3.13Å; K59-A63 WeakPolarHBondContact O-CB 2.74Å; K59-A63 PolarHBondContact O-N 3.14Å
60	V	44	Very low	36.5	Very low	1 Å²	1	68.7 Å²	68.7	1%	0.006	41%	0.411	C	S	.	.	H	α-helix	trans	-62.8	-49	172.7	173.8	0	0	0	0	109.3	F55 S56 P57 N62 A63 I64 W79	F55-V60 HydrophobicContact CE1-CG2 4.19Å; F55-V60 HydrophobicContact CE2-CG2 4.36Å; F55-V60 HydrophobicContact CZ-CG2 4.13Å; S56-V60 PolarHBondContact O-N 3.35Å; P57-V60 PolarHBondContact O-N 3.29Å; V60-N62 VanDerWaalsContact C-N 3.29Å; V60-N62 PolarHBondContact O-N 1.93Å; V60-A63 PolarHBondContact O-N 3.45Å; V60-A63 VanDerWaalsContact O-N 3.13Å; V60-I64 WeakPolarHBondContact O-CG1 3.46Å; V60-I64 PolarHBondContact O-N 3.48Å; V60-W79 HydrophobicContact CG1-CE3 4.07Å; V60-W79 HydrophobicContact CG1-CZ3 3.69Å
61	T	41.4	Very low	37	Very low	67 Å²	67	72.2 Å²	72.2	41%	0.411	42%	0.416	S	S	.	.	H	α-helix	trans	-59.2	-38	176.6	-55.6	0	0	0	0	112.7	P57 L58 I64 P65	P57-T61 WeakPolarHBondContact O-CB 3.34Å; P57-T61 PolarHBondContact O-N 3.33Å; P57-T61 PolarHBondContact O-OG1 3.44Å; L58-T61 PolarHBondContact O-N 3.3Å; T61-I64 PolarHBondContact O-N 3.29Å; T61-P65 VanDerWaalsContact O-CD 3.25Å; T61-P65 WeakPolarHBondContact O-CD 3.21Å
62	N	42.2	Very low	37.3	Very low	101 Å²	101	68.4 Å²	68.4	54%	0.54	39%	0.389	S	S	.	.	H	α-helix	trans	-76.7	-23.8	178	-68.9	-15.4	0	0	0	113.7	L58 K59 V60 P65	L58-N62 WeakPolarHBondContact O-CB 3.01Å; L58-N62 PolarHBondContact O-N 3.29Å; L58-N62 PolarHBondContact O-ND2 3.32Å; K59-N62 PolarHBondContact O-N 3.13Å; V60-N62 VanDerWaalsContact C-N 3.29Å; V60-N62 PolarHBondContact O-N 1.93Å; N62-P65 WeakPolarHBondContact O-CD 3.35Å
63	A	42	Very low	37.6	Very low	14 Å²	14	75.5 Å²	75.5	12%	0.116	42%	0.419	C	S	.	.	H	α-helix	trans	-78.7	-21	173.7	0	0	0	0	0	112.6	I52 K59 V60 L66 L67	I52-A63 HydrophobicContact CD1-CB 3.6Å; K59-A63 WeakPolarHBondContact O-CB 2.74Å; K59-A63 PolarHBondContact O-N 3.14Å; V60-A63 PolarHBondContact O-N 3.45Å; V60-A63 VanDerWaalsContact O-N 3.13Å; A63-L66 PolarHBondContact O-N 3.41Å; A63-L67 HydrophobicContact CB-CD1 4.32Å; A63-L67 WeakPolarHBondContact O-CB 2.82Å; A63-L67 PolarHBondContact O-N 3.33Å
64	I	40.1	Very low	38.3	Very low	60 Å²	60	72.3 Å²	72.3	31%	0.308	39%	0.394	S	S	.	.	H	α-helix	trans	-58.6	-48.2	-179	-71.3	167.4	0	0	0	112.4	V60 T61 L67 A68 W79	V60-I64 WeakPolarHBondContact O-CG1 3.46Å; V60-I64 PolarHBondContact O-N 3.48Å; T61-I64 PolarHBondContact O-N 3.29Å; I64-L67 PolarHBondContact O-N 3.22Å; I64-A68 WeakPolarHBondContact O-CB 3.2Å; I64-A68 PolarHBondContact O-N 3.26Å; I64-W79 HydrophobicContact CG1-CD2 4.01Å; I64-W79 HydrophobicContact CG1-CE3 4.15Å; I64-W79 HydrophobicContact CG1-CG 4.44Å; I64-W79 HydrophobicContact CG1-CZ2 4.43Å; I64-W79 HydrophobicContact CG1-CZ3 4.46Å
65	P	36.2	Very low	39.1	Very low	77 Å²	77	71.2 Å²	71.2	50%	0.5	39%	0.387	S	S	.	.	H	α-helix	trans	-64.3	-40.9	175.7	-21.3	31.9	0	0	0	113	T61 N62 L67 A68 E69	T61-P65 VanDerWaalsContact O-CD 3.25Å; T61-P65 WeakPolarHBondContact O-CD 3.21Å; N62-P65 WeakPolarHBondContact O-CD 3.35Å; P65-L67 VanDerWaalsContact C-N 3.27Å; P65-L67 PolarHBondContact O-N 3.02Å; P65-A68 WeakPolarHBondContact O-CB 3.48Å; P65-A68 PolarHBondContact O-N 3.02Å; P65-A68 VanDerWaalsContact O-N 3.1Å; P65-E69 PolarHBondContact O-N 3.27Å
66	L	35.3	Very low	39.4	Very low	123 Å²	123	74.3 Å²	74.3	64%	0.644	41%	0.409	S	S	*	.	H	α-helix	trans	-65.2	-30.3	-179.6	-73.9	164.3	0	0	0	112.7	A63	A63-L66 PolarHBondContact O-N 3.41Å
67	L	37.5	Very low	39.7	Very low	30 Å²	30	72.3 Å²	72.3	16%	0.157	40%	0.395	C	S	.	.	H	α-helix	trans	-85.8	-22.4	174.3	-72.3	161.2	0	0	0	112.3	A63 I64 P65 E69 S70 I74 W79 L103	A63-L67 HydrophobicContact CB-CD1 4.32Å; A63-L67 WeakPolarHBondContact O-CB 2.82Å; A63-L67 PolarHBondContact O-N 3.33Å; I64-L67 PolarHBondContact O-N 3.22Å; P65-L67 VanDerWaalsContact C-N 3.27Å; P65-L67 PolarHBondContact O-N 3.02Å; L67-E69 PolarHBondContact O-N 3.1Å; L67-S70 WeakPolarHBondContact O-CB 3.41Å; L67-S70 PolarHBondContact O-N 2.96Å; L67-S70 VanDerWaalsContact O-N 3.12Å; L67-S70 PolarHBondContact O-OG 3.15Å; L67-I74 HydrophobicContact CB-CD1 4.46Å; L67-I74 HydrophobicContact CD1-CD1 4.38Å; L67-W79 HydrophobicContact CB-CZ2 4.44Å; L67-W79 HydrophobicContact CD1-CH2 3.79Å; L67-W79 HydrophobicContact CD1-CZ2 3.49Å; L67-W79 VanDerWaalsContact CD1-CZ2 3.49Å; L67-L103 HydrophobicContact CD1-CD1 4.17Å; L67-L103 HydrophobicContact CD2-CD2 4.29Å
68	A	36.5	Very low	40.1	Very low	82 Å²	82	71 Å²	71	68%	0.678	39%	0.387	S	S	*	.	H	α-helix	trans	-69.1	-23.5	170.9	0	0	0	0	0	112.7	I64 P65 S70	I64-A68 WeakPolarHBondContact O-CB 3.2Å; I64-A68 PolarHBondContact O-N 3.26Å; P65-A68 WeakPolarHBondContact O-CB 3.48Å; P65-A68 PolarHBondContact O-N 3.02Å; P65-A68 VanDerWaalsContact O-N 3.1Å; A68-S70 VanDerWaalsContact C-N 3.32Å
69	E	34.2	Very low	40.7	Very low	168 Å²	168	66 Å²	66	79%	0.785	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.7	170.2	-70.9	-177.6	175.1	0	0	113.4	P65 L67	P65-E69 PolarHBondContact O-N 3.27Å; L67-E69 PolarHBondContact O-N 3.1Å
70	S	33.6	Very low	40.9	Very low	33 Å²	33	63.5 Å²	63.5	23%	0.231	36%	0.355	C	S	.	.	S	Bend	trans	-84.9	146	173.3	79.3	0	0	0	0	110.4	L67 A68 V72	L67-S70 WeakPolarHBondContact O-CB 3.41Å; L67-S70 PolarHBondContact O-N 2.96Å; L67-S70 VanDerWaalsContact O-N 3.12Å; L67-S70 PolarHBondContact O-OG 3.15Å; A68-S70 VanDerWaalsContact C-N 3.32Å; S70-V72 PolarHBondContact O-N 2.82Å; S70-V72 WeakPolarHBondContact OG-CB 3.49Å; S70-V72 PolarHBondContact OG-N 3.36Å
71	D	34.2	Very low	41.3	Very low	166 Å²	166	63.8 Å²	63.8	89%	0.888	36%	0.356	S	S	*	.	S	Bend	trans	-58.9	-0.9	172	-77.4	-44.3	0	0	0	113.7	K73	D71-K73 PolarHBondContact O-N 2.87Å
72	V	34.9	Very low	42	Very low	21 Å²	21	60.8 Å²	60.8	13%	0.127	34%	0.338	C	S	.	.			trans	-85.4	95.5	177.4	-171.6	0	0	0	0	109	S70 I74 A105 L110	S70-V72 PolarHBondContact O-N 2.82Å; S70-V72 WeakPolarHBondContact OG-CB 3.49Å; S70-V72 PolarHBondContact OG-N 3.36Å; V72-I74 VanDerWaalsContact C-N 3.28Å; V72-I74 HydrophobicContact CG1-CG1 4.13Å; V72-I74 PolarHBondContact O-N 3.29Å; V72-A105 HydrophobicContact CG1-CB 4.15Å; V72-A105 HydrophobicContact CG2-CB 4.23Å; V72-L110 HydrophobicContact CG1-CB 3.7Å; V72-L110 HydrophobicContact CG1-CD1 3.58Å; V72-L110 HydrophobicContact CG1-CG 4.28Å
73	K	38.7	Very low	42.5	Very low	181 Å²	181	59.7 Å²	59.7	79%	0.787	33%	0.329	S	S	*	.	B	Isolated β-bridge	trans	-70.3	83.4	172.4	-69.5	-175.2	-178.6	177.8	0	110.5	D71 L75	D71-K73 PolarHBondContact O-N 2.87Å; K73-L75 PolarHBondContact O-N 2.85Å
74	I	44.9	Very low	42.9	Very low	18 Å²	18	60.9 Å²	60.9	9%	0.092	33%	0.333	C	S	.	.			trans	-72.2	114.6	162.4	-49.2	-178.8	0	0	0	106.8	L67 V72 W79 L103 L110	L67-I74 HydrophobicContact CB-CD1 4.46Å; L67-I74 HydrophobicContact CD1-CD1 4.38Å; V72-I74 VanDerWaalsContact C-N 3.28Å; V72-I74 HydrophobicContact CG1-CG1 4.13Å; V72-I74 PolarHBondContact O-N 3.29Å; I74-W79 VanDerWaalsContact CB-NE1 3.3Å; I74-W79 HydrophobicContact CD1-CZ2 3.47Å; I74-W79 VanDerWaalsContact CD1-CZ2 3.47Å; I74-W79 HydrophobicContact CG2-CD2 4.31Å; I74-W79 HydrophobicContact CG2-CG 3.98Å; I74-L103 HydrophobicContact CD1-CD1 4.03Å; I74-L110 HydrophobicContact CB-CB 4.34Å; I74-L110 HydrophobicContact CB-CD2 4.11Å; I74-L110 HydrophobicContact CD1-CD1 3.43Å; I74-L110 VanDerWaalsContact CD1-CD1 3.43Å; I74-L110 HydrophobicContact CD1-CD2 3.72Å; I74-L110 HydrophobicContact CD1-CG 4.02Å; I74-L110 HydrophobicContact CG1-CB 3.65Å; I74-L110 HydrophobicContact CG1-CD1 3.48Å; I74-L110 VanDerWaalsContact CG1-CD1 3.48Å; I74-L110 HydrophobicContact CG1-CD2 3.58Å; I74-L110 HydrophobicContact CG1-CG 3.69Å; I74-L110 HydrophobicContact CG2-CD2 3.64Å
75	L	47.4	Very low	43.7	Very low	28 Å²	28	59.2 Å²	59.2	15%	0.147	32%	0.324	C	S	.	.			trans	-62.5	129.7	177.7	-78.5	145.9	0	0	0	109.1	V15 V34 K73 V77 C78	V15-L75 HydrophobicContact CB-CD1 4.06Å; V15-L75 HydrophobicContact CG1-CB 4.28Å; V15-L75 HydrophobicContact CG1-CD1 3.63Å; V15-L75 HydrophobicContact CG1-CG 4.48Å; V15-L75 HydrophobicContact CG2-CD1 3.21Å; V15-L75 HydrophobicContact CG2-CD2 3.83Å; V15-L75 HydrophobicContact CG2-CG 3.99Å; V34-L75 HydrophobicContact CG2-CD1 3.22Å; K73-L75 PolarHBondContact O-N 2.85Å; L75-V77 HydrophobicContact CB-CB 4.03Å; L75-V77 HydrophobicContact CB-CG2 3.99Å; L75-V77 CarbonylContact O-C 3.6Å; L75-V77 PolarHBondContact O-N 3.34Å; L75-C78 PolarHBondContact O-N 3.4Å
76	P	44.5	Very low	44.7	Very low	87 Å²	87	55.8 Å²	55.8	57%	0.565	30%	0.302	S	S	*	.	H	α-helix	trans	-48.5	-29.6	-179.3	-28.5	33.5	0	0	0	113	W79 S80	P76-W79 WeakPolarHBondContact O-CB 3.5Å; P76-W79 PolarHBondContact O-N 3Å; P76-S80 PolarHBondContact O-N 2.9Å; P76-S80 PolarHBondContact O-OG 2.88Å
77	V	43.4	Very low	45.5	Very low	1 Å²	1	55.9 Å²	55.9	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-39.6	-60.9	165	175.5	0	0	0	0	115.3	C9 V15 C17 L75 W79 S80 L81 L129 C131	C9-V77 HydrophobicContact CB-CB 4.17Å; C9-V77 HydrophobicContact CB-CG1 4.25Å; C9-V77 HydrophobicContact CB-CG2 3.98Å; C9-V77 WeakPolarHBondContact SG-CB 3.45Å; C9-V77 WeakPolarHBondContact SG-CG1 3.16Å; C9-V77 WeakPolarHBondContact SG-CG2 3.38Å; V15-V77 HydrophobicContact CG1-CB 4.44Å; V15-V77 HydrophobicContact CG1-CG1 4.02Å; C17-V77 HydrophobicContact CB-CG1 4.22Å; L75-V77 HydrophobicContact CB-CB 4.03Å; L75-V77 HydrophobicContact CB-CG2 3.99Å; L75-V77 CarbonylContact O-C 3.6Å; L75-V77 PolarHBondContact O-N 3.34Å; V77-W79 VanDerWaalsContact C-N 3.31Å; V77-S80 PolarHBondContact O-N 2.84Å; V77-L81 PolarHBondContact O-N 3.32Å; V77-L129 HydrophobicContact CG1-CD2 4.25Å; V77-C131 HydrophobicContact CG1-CB 4.45Å
78	C	49.7	Very low	46.2	Very low	3 Å²	3	57.9 Å²	57.9	2%	0.02	31%	0.306	C	S	.	.	H	α-helix	trans	-74.7	-29	-176.7	-73.9	0	0	0	0	110.8	C17 S32 L75 L81 I82	C17-C78 HydrophobicContact CB-CB 4.41Å; C17-C78 WeakPolarHBondContact CB-SG 3.09Å; C17-C78 WeakPolarHBondContact SG-CA 3.48Å; C17-C78 WeakPolarHBondContact SG-CB 3.03Å; C17-C78 CovalentContact SG-SG 2.05Å; C17-C78 PolarHBondContact SG-SG 3.16Å; S32-C78 WeakPolarHBondContact CB-SG 3.02Å; S32-C78 PolarHBondContact OG-SG 3.15Å; S32-C78 VanDerWaalsContact OG-SG 3.34Å; L75-C78 PolarHBondContact O-N 3.4Å; C78-L81 WeakPolarHBondContact O-CB 3.28Å; C78-L81 PolarHBondContact O-N 2.95Å; C78-I82 WeakPolarHBondContact O-CD1 3.43Å; C78-I82 WeakPolarHBondContact O-CG1 3.26Å; C78-I82 PolarHBondContact O-N 3.2Å
79	W	51.5	Low	46.9	Very low	18 Å²	18	54.5 Å²	54.5	7%	0.068	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-45	171.5	-84.5	123.5	0	0	0	113	V60 I64 L67 I74 P76 V77 L81 I82 F83 Y113	V60-W79 HydrophobicContact CG1-CE3 4.07Å; V60-W79 HydrophobicContact CG1-CZ3 3.69Å; I64-W79 HydrophobicContact CG1-CD2 4.01Å; I64-W79 HydrophobicContact CG1-CE3 4.15Å; I64-W79 HydrophobicContact CG1-CG 4.44Å; I64-W79 HydrophobicContact CG1-CZ2 4.43Å; I64-W79 HydrophobicContact CG1-CZ3 4.46Å; L67-W79 HydrophobicContact CB-CZ2 4.44Å; L67-W79 HydrophobicContact CD1-CH2 3.79Å; L67-W79 HydrophobicContact CD1-CZ2 3.49Å; L67-W79 VanDerWaalsContact CD1-CZ2 3.49Å; I74-W79 VanDerWaalsContact CB-NE1 3.3Å; I74-W79 HydrophobicContact CD1-CZ2 3.47Å; I74-W79 VanDerWaalsContact CD1-CZ2 3.47Å; I74-W79 HydrophobicContact CG2-CD2 4.31Å; I74-W79 HydrophobicContact CG2-CG 3.98Å; P76-W79 WeakPolarHBondContact O-CB 3.5Å; P76-W79 PolarHBondContact O-N 3Å; V77-W79 VanDerWaalsContact C-N 3.31Å; W79-L81 PolarHBondContact O-N 3.38Å; W79-I82 HydrophobicContact CE3-CD1 4.16Å; W79-I82 HydrophobicContact CE3-CG2 4.42Å; W79-I82 HydrophobicContact CZ3-CD1 4.49Å; W79-I82 HydrophobicContact CZ3-CG2 4.43Å; W79-I82 PolarHBondContact O-N 3.4Å; W79-F83 VanDerWaalsContact O-CB 3.31Å; W79-F83 WeakPolarHBondContact O-CB 3.35Å; W79-F83 PolarHBondContact O-N 3.23Å; W79-Y113 HydrophobicContact CH2-CD2 4.4Å; W79-Y113 AromaticContact CH2-CE2 3.71Å; W79-Y113 HydrophobicContact CH2-CE2 3.71Å; W79-Y113 AromaticContact CZ3-CE2 3.81Å; W79-Y113 HydrophobicContact CZ3-CE2 3.81Å; W79-Y113 AromaticContact CZ3-CZ 3.98Å
80	S	47.1	Very low	47.7	Very low	55 Å²	55	51.6 Å²	51.6	39%	0.385	26%	0.263	S	S	.	.	H	α-helix	trans	-57.2	-43.1	174.9	-64.2	0	0	0	0	110.7	P76 V77 F83 L84	P76-S80 PolarHBondContact O-N 2.9Å; P76-S80 PolarHBondContact O-OG 2.88Å; V77-S80 PolarHBondContact O-N 2.84Å; S80-F83 PolarHBondContact O-N 2.95Å; S80-L84 WeakPolarHBondContact O-CB 3.25Å; S80-L84 VanDerWaalsContact O-CD1 3.23Å; S80-L84 WeakPolarHBondContact O-CD1 3.46Å; S80-L84 WeakPolarHBondContact O-CG 3.46Å; S80-L84 PolarHBondContact O-N 3.42Å
81	L	51.3	Low	48.7	Very low	6 Å²	6	54 Å²	54	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-43.3	-179.8	-158.5	67.7	0	0	0	112.7	Y7 C17 I19 V77 C78 W79 L84 I85 L129	Y7-L81 HydrophobicContact CD2-CD1 4.1Å; C17-L81 HydrophobicContact CB-CD2 4.19Å; I19-L81 HydrophobicContact CD1-CB 4.25Å; I19-L81 HydrophobicContact CD1-CD2 3.2Å; I19-L81 HydrophobicContact CD1-CG 3.48Å; I19-L81 VanDerWaalsContact CD1-CG 3.48Å; I19-L81 HydrophobicContact CG1-CD2 3.46Å; I19-L81 VanDerWaalsContact CG1-CD2 3.46Å; I19-L81 HydrophobicContact CG1-CG 4.28Å; V77-L81 PolarHBondContact O-N 3.32Å; C78-L81 WeakPolarHBondContact O-CB 3.28Å; C78-L81 PolarHBondContact O-N 2.95Å; W79-L81 PolarHBondContact O-N 3.38Å; L81-L84 PolarHBondContact O-N 2.99Å; L81-I85 WeakPolarHBondContact O-CG1 3.46Å; L81-I85 PolarHBondContact O-N 2.05Å; L81-L129 HydrophobicContact CD1-CB 3.84Å; L81-L129 HydrophobicContact CD1-CD1 3.48Å; L81-L129 VanDerWaalsContact CD1-CD1 3.48Å; L81-L129 HydrophobicContact CD1-CD2 4.19Å; L81-L129 HydrophobicContact CD1-CG 4.04Å; L81-L129 HydrophobicContact CD2-CB 3.8Å; L81-L129 HydrophobicContact CG-CB 4.41Å
82	I	55.8	Low	49.4	Very low	4 Å²	4	48.4 Å²	48.4	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-62.4	-43.8	174.3	-68.6	156.8	0	0	0	110.7	F55 C78 W79 L84 I85 G86 Y113	F55-I82 HydrophobicContact CE2-CG2 4.42Å; F55-I82 HydrophobicContact CZ-CG2 3.95Å; C78-I82 WeakPolarHBondContact O-CD1 3.43Å; C78-I82 WeakPolarHBondContact O-CG1 3.26Å; C78-I82 PolarHBondContact O-N 3.2Å; W79-I82 HydrophobicContact CE3-CD1 4.16Å; W79-I82 HydrophobicContact CE3-CG2 4.42Å; W79-I82 HydrophobicContact CZ3-CD1 4.49Å; W79-I82 HydrophobicContact CZ3-CG2 4.43Å; W79-I82 PolarHBondContact O-N 3.4Å; I82-L84 VanDerWaalsContact C-N 3.35Å; I82-I85 PolarHBondContact O-N 2.7Å; I82-G86 PolarHBondContact O-N 3.33Å; I82-Y113 HydrophobicContact CB-CD1 4.31Å; I82-Y113 HydrophobicContact CB-CE1 4.26Å; I82-Y113 HydrophobicContact CD1-CD1 3.27Å; I82-Y113 HydrophobicContact CD1-CD2 3.86Å; I82-Y113 HydrophobicContact CD1-CE1 3.85Å; I82-Y113 HydrophobicContact CD1-CE2 4.38Å; I82-Y113 HydrophobicContact CD1-CG 3.29Å; I82-Y113 HydrophobicContact CG1-CD1 3.52Å; I82-Y113 HydrophobicContact CG1-CE1 3.98Å; I82-Y113 HydrophobicContact CG1-CG 4.06Å; I82-Y113 HydrophobicContact CG2-CD1 3.79Å; I82-Y113 HydrophobicContact CG2-CE1 3.27Å
83	F	53	Low	50.2	Low	79 Å²	79	52.4 Å²	52.4	35%	0.346	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-41.5	178	-178.7	-93.8	0	0	0	111.5	P57 W79 S80 G86 K87	P57-F83 HydrophobicContact CB-CE2 4.09Å; W79-F83 VanDerWaalsContact O-CB 3.31Å; W79-F83 WeakPolarHBondContact O-CB 3.35Å; W79-F83 PolarHBondContact O-N 3.23Å; S80-F83 PolarHBondContact O-N 2.95Å; F83-G86 WeakPolarHBondContact O-CA 3.49Å; F83-G86 PolarHBondContact O-N 3.29Å; F83-K87 HydrophobicContact CE1-CD 4.47Å; F83-K87 WeakPolarHBondContact O-CB 3.25Å; F83-K87 PolarHBondContact O-N 2.96Å
84	L	51.6	Low	50.6	Low	39 Å²	39	44.7 Å²	44.7	20%	0.204	25%	0.254	C	S	.	.	H	α-helix	trans	-64.5	-43	177.2	-75	159.4	0	0	0	112	Y7 S80 L81 I82 G86 K87 E88	Y7-L84 HydrophobicContact CD1-CD1 3.16Å; Y7-L84 HydrophobicContact CD1-CD2 4.01Å; Y7-L84 HydrophobicContact CD1-CG 4.17Å; Y7-L84 HydrophobicContact CD2-CD1 3.73Å; Y7-L84 HydrophobicContact CE1-CB 4.41Å; Y7-L84 HydrophobicContact CE1-CD1 3.26Å; Y7-L84 HydrophobicContact CE1-CD2 3.36Å; Y7-L84 HydrophobicContact CE1-CG 3.81Å; Y7-L84 HydrophobicContact CE2-CB 4.46Å; Y7-L84 HydrophobicContact CE2-CD1 3.81Å; Y7-L84 HydrophobicContact CG-CD1 3.38Å; S80-L84 WeakPolarHBondContact O-CB 3.25Å; S80-L84 VanDerWaalsContact O-CD1 3.23Å; S80-L84 WeakPolarHBondContact O-CD1 3.46Å; S80-L84 WeakPolarHBondContact O-CG 3.46Å; S80-L84 PolarHBondContact O-N 3.42Å; L81-L84 PolarHBondContact O-N 2.99Å; I82-L84 VanDerWaalsContact C-N 3.35Å; L84-G86 VanDerWaalsContact C-N 3.32Å; L84-K87 PolarHBondContact O-N 2.93Å; L84-E88 WeakPolarHBondContact O-CB 3.22Å; L84-E88 PolarHBondContact O-N 3.2Å
85	I	56.9	Low	50.6	Low	25 Å²	25	48.1 Å²	48.1	13%	0.128	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-46.7	171.6	-70.7	169.5	0	0	0	109.9	I19 I28 L81 I82 K87 E88 M89 F117	I19-I85 HydrophobicContact CD1-CD1 3.27Å; I19-I85 HydrophobicContact CG2-CD1 4.03Å; I28-I85 HydrophobicContact CD1-CG2 4.18Å; I28-I85 HydrophobicContact CG2-CD1 4.49Å; L81-I85 WeakPolarHBondContact O-CG1 3.46Å; L81-I85 PolarHBondContact O-N 2.05Å; I82-I85 PolarHBondContact O-N 2.7Å; I85-K87 VanDerWaalsContact C-N 3.31Å; I85-K87 PolarHBondContact O-N 3.3Å; I85-E88 PolarHBondContact O-N 3.45Å; I85-M89 HydrophobicContact CG2-CG 4.36Å; I85-M89 HydrophobicContact CG2-SD 3.97Å; I85-M89 WeakPolarHBondContact O-CB 3.3Å; I85-M89 WeakPolarHBondContact O-CG 3.35Å; I85-M89 PolarHBondContact O-N 2.74Å; I85-F117 HydrophobicContact CG2-CE2 4.19Å
86	G	55.7	Low	50.4	Low	4 Å²	4	54 Å²	54	4%	0.041	30%	0.302	C	S	.	.	H	α-helix	trans	-53.2	-46.3	175.2	0	0	0	0	0	114	F55 I82 F83 L84 M89 E90	F55-G86 VanDerWaalsContact CE1-CA 3.44Å; I82-G86 PolarHBondContact O-N 3.33Å; F83-G86 WeakPolarHBondContact O-CA 3.49Å; F83-G86 PolarHBondContact O-N 3.29Å; L84-G86 VanDerWaalsContact C-N 3.32Å; G86-M89 PolarHBondContact O-N 3.45Å; G86-E90 PolarHBondContact O-N 3.22Å
87	K	53.1	Low	50.2	Low	125 Å²	125	57.1 Å²	57.1	54%	0.543	31%	0.313	S	S	.	.	H	α-helix	trans	-68.7	-42.3	-179.3	-167.5	-178.7	-179.7	-176.3	0	112	F83 L84 I85 M89 E90 S91	F83-K87 HydrophobicContact CE1-CD 4.47Å; F83-K87 WeakPolarHBondContact O-CB 3.25Å; F83-K87 PolarHBondContact O-N 2.96Å; L84-K87 PolarHBondContact O-N 2.93Å; I85-K87 VanDerWaalsContact C-N 3.31Å; I85-K87 PolarHBondContact O-N 3.3Å; K87-M89 VanDerWaalsContact C-N 3.28Å; K87-M89 PolarHBondContact O-N 3.3Å; K87-E90 PolarHBondContact O-N 3.34Å; K87-S91 PolarHBondContact O-N 2.79Å; K87-S91 PolarHBondContact O-OG 3.25Å
88	E	51.7	Low	49.9	Very low	73 Å²	73	58.4 Å²	58.4	34%	0.341	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-39.4	174.4	-85.2	-68.4	165.5	0	0	111.8	W2 L84 I85 S91 A92	W2-E88 HydrophobicContact CH2-CB 4.18Å; W2-E88 HydrophobicContact CH2-CG 4.4Å; W2-E88 VanDerWaalsContact CH2-OE2 3.29Å; W2-E88 WeakPolarHBondContact CH2-OE2 3.15Å; W2-E88 HydrophobicContact CZ3-CB 4.09Å; W2-E88 HydrophobicContact CZ3-CG 3.89Å; W2-E88 VanDerWaalsContact CZ3-OE2 3.24Å; W2-E88 WeakPolarHBondContact CZ3-OE2 3.49Å; L84-E88 WeakPolarHBondContact O-CB 3.22Å; L84-E88 PolarHBondContact O-N 3.2Å; I85-E88 PolarHBondContact O-N 3.45Å; E88-S91 VanDerWaalsContact C-OG 3.32Å; E88-S91 VanDerWaalsContact CA-OG 3.28Å; E88-S91 WeakPolarHBondContact CA-OG 3.18Å; E88-S91 PolarHBondContact O-N 2.92Å; E88-S91 PolarHBondContact O-OG 3.41Å; E88-A92 WeakPolarHBondContact O-CB 3.33Å; E88-A92 PolarHBondContact O-N 2.81Å
89	M	52.4	Low	49.3	Very low	11 Å²	11	58.5 Å²	58.5	5%	0.054	32%	0.323	C	S	.	.	H	α-helix	trans	-69.5	-35.9	177.1	-69.7	-169.7	69.8	0	0	113.2	I85 G86 K87 A92 S93 V94 F117	I85-M89 HydrophobicContact CG2-CG 4.36Å; I85-M89 HydrophobicContact CG2-SD 3.97Å; I85-M89 WeakPolarHBondContact O-CB 3.3Å; I85-M89 WeakPolarHBondContact O-CG 3.35Å; I85-M89 PolarHBondContact O-N 2.74Å; G86-M89 PolarHBondContact O-N 3.45Å; K87-M89 VanDerWaalsContact C-N 3.28Å; K87-M89 PolarHBondContact O-N 3.3Å; M89-A92 PolarHBondContact O-N 3.02Å; M89-S93 PolarHBondContact O-N 2.83Å; M89-V94 HydrophobicContact CB-CG2 4.41Å; M89-V94 HydrophobicContact CE-CB 3.97Å; M89-V94 HydrophobicContact CE-CG1 3.66Å; M89-V94 HydrophobicContact CE-CG2 4.02Å; M89-V94 PolarHBondContact O-N 2.95Å; M89-V94 VanDerWaalsContact O-N 3.16Å; M89-F117 HydrophobicContact CE-CB 3.68Å; M89-F117 HydrophobicContact CE-CD1 3.01Å; M89-F117 HydrophobicContact CE-CD2 3.89Å; M89-F117 HydrophobicContact CE-CE1 3.37Å; M89-F117 HydrophobicContact CE-CE2 4.18Å; M89-F117 HydrophobicContact CE-CG 3.28Å; M89-F117 HydrophobicContact CE-CZ 3.93Å; M89-F117 HydrophobicContact SD-CB 4.46Å; M89-F117 HydrophobicContact SD-CD1 3.49Å; M89-F117 WeakPolarHBondContact SD-CD1 3.24Å; M89-F117 HydrophobicContact SD-CD2 3.56Å; M89-F117 VanDerWaalsContact SD-CD2 3.56Å; M89-F117 HydrophobicContact SD-CE1 3.26Å; M89-F117 WeakPolarHBondContact SD-CE1 3.48Å; M89-F117 HydrophobicContact SD-CE2 3.32Å; M89-F117 WeakPolarHBondContact SD-CE2 3.32Å; M89-F117 HydrophobicContact SD-CG 3.61Å; M89-F117 HydrophobicContact SD-CZ 3.15Å; M89-F117 WeakPolarHBondContact SD-CZ 3.21Å
90	E	50.9	Low	48.6	Very low	107 Å²	107	61.4 Å²	61.4	50%	0.5	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-43.7	171.5	-173.4	169.6	-144.4	0	0	111.1	P57 G86 K87 A92 S93	P57-E90 WeakPolarHBondContact CG-OE2 3.23Å; G86-E90 PolarHBondContact O-N 3.22Å; K87-E90 PolarHBondContact O-N 3.34Å; E90-A92 VanDerWaalsContact C-N 3.28Å; E90-A92 PolarHBondContact O-N 2.77Å; E90-S93 PolarHBondContact O-N 3.16Å; E90-S93 VanDerWaalsContact O-N 3.1Å
91	S	53.1	Low	48.3	Very low	84 Å²	84	59.3 Å²	59.3	59%	0.587	33%	0.329	S	S	*	.	H	α-helix	trans	-65.6	-30.5	174.9	50.2	0	0	0	0	113.5	K87 E88 S93	K87-S91 PolarHBondContact O-N 2.79Å; K87-S91 PolarHBondContact O-OG 3.25Å; E88-S91 VanDerWaalsContact C-OG 3.32Å; E88-S91 VanDerWaalsContact CA-OG 3.28Å; E88-S91 WeakPolarHBondContact CA-OG 3.18Å; E88-S91 PolarHBondContact O-N 2.92Å; E88-S91 PolarHBondContact O-OG 3.41Å; S91-S93 PolarHBondContact O-N 2.8Å
92	A	49.6	Very low	47.5	Very low	48 Å²	48	61.3 Å²	61.3	40%	0.397	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	4.8	175.2	0	0	0	0	0	113.6	E88 M89 E90 V94 W122	E88-A92 WeakPolarHBondContact O-CB 3.33Å; E88-A92 PolarHBondContact O-N 2.81Å; M89-A92 PolarHBondContact O-N 3.02Å; E90-A92 VanDerWaalsContact C-N 3.28Å; E90-A92 PolarHBondContact O-N 2.77Å; A92-V94 HydrophobicContact CB-CG2 4.02Å; A92-V94 PolarHBondContact O-N 2.85Å; A92-W122 HydrophobicContact CB-CZ2 3.97Å
93	S	52.8	Low	46.6	Very low	105 Å²	105	62.4 Å²	62.4	73%	0.734	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	31.9	-179.8	-55.7	0	0	0	0	113.7	M89 E90 S91	M89-S93 PolarHBondContact O-N 2.83Å; E90-S93 PolarHBondContact O-N 3.16Å; E90-S93 VanDerWaalsContact O-N 3.1Å; S91-S93 PolarHBondContact O-N 2.8Å
94	V	46.9	Very low	45.7	Very low	19 Å²	19	61.6 Å²	61.6	12%	0.115	35%	0.35	C	S	.	.			trans	-65.6	131.1	179	-179	0	0	0	0	108.8	M89 A92 K96 S98 W122	M89-V94 HydrophobicContact CB-CG2 4.41Å; M89-V94 HydrophobicContact CE-CB 3.97Å; M89-V94 HydrophobicContact CE-CG1 3.66Å; M89-V94 HydrophobicContact CE-CG2 4.02Å; M89-V94 PolarHBondContact O-N 2.95Å; M89-V94 VanDerWaalsContact O-N 3.16Å; A92-V94 HydrophobicContact CB-CG2 4.02Å; A92-V94 PolarHBondContact O-N 2.85Å; V94-K96 PolarHBondContact O-N 2.84Å; V94-K96 VanDerWaalsContact O-N 3.16Å; V94-S98 WeakPolarHBondContact CG1-OG 3.45Å; V94-W122 HydrophobicContact CG2-CZ2 4.3Å
95	P	43.7	Very low	44.8	Very low	89 Å²	89	60.5 Å²	60.5	58%	0.578	35%	0.347	S	S	*	.			trans	-55	124.3	-178.8	-24.8	32.8	0	0	0	110.9	N97 S98	P95-N97 PolarHBondContact O-N 2.88Å; P95-S98 PolarHBondContact O-N 2.71Å; P95-S98 PolarHBondContact O-OG 2.74Å
96	K	44.1	Very low	43.6	Very low	153 Å²	153	63.1 Å²	63.1	67%	0.665	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-13.6	-174.3	-64.8	-179.8	178.4	179.1	0	114.6	V94	V94-K96 PolarHBondContact O-N 2.84Å; V94-K96 VanDerWaalsContact O-N 3.16Å
97	N	39.8	Very low	42.5	Very low	151 Å²	151	65 Å²	65	81%	0.807	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-6.8	-177.3	-57	-6.5	0	0	0	113.4	P95 A99	P95-N97 PolarHBondContact O-N 2.88Å; N97-A99 VanDerWaalsContact C-N 3.26Å; N97-A99 PolarHBondContact O-N 3.18Å
98	S	37.5	Very low	41.4	Very low	29 Å²	29	61.1 Å²	61.1	20%	0.203	37%	0.365	C	S	.	.	S	Bend	trans	-83.6	-5.6	-179.2	65.5	0	0	0	0	113	V94 P95 S116 F117 D118	V94-S98 WeakPolarHBondContact CG1-OG 3.45Å; P95-S98 PolarHBondContact O-N 2.71Å; P95-S98 PolarHBondContact O-OG 2.74Å; S98-S116 VanDerWaalsContact O-O 3.13Å; S98-F117 CarbonylContact O-C 3.46Å; S98-F117 WeakPolarHBondContact O-CA 3.2Å; S98-D118 PolarHBondContact O-N 2.93Å
99	A	37	Very low	40.5	Very low	5 Å²	5	60 Å²	60	4%	0.041	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.7	-168.4	0	0	0	0	0	113.4	F55 N97 S116 F117	F55-A99 HydrophobicContact CB-CB 3.42Å; F55-A99 VanDerWaalsContact CB-CB 3.42Å; F55-A99 HydrophobicContact CG-CB 4.2Å; N97-A99 VanDerWaalsContact C-N 3.26Å; N97-A99 PolarHBondContact O-N 3.18Å; A99-S116 CarbonylContact C-O 3.5Å; A99-S116 WeakPolarHBondContact CA-O 3.15Å; A99-F117 HydrophobicContact CB-CD1 3.24Å; A99-F117 HydrophobicContact CB-CE1 3.15Å; A99-F117 HydrophobicContact CB-CG 4.42Å; A99-F117 HydrophobicContact CB-CZ 4.27Å
100	T	37.3	Very low	39.8	Very low	79 Å²	79	59.6 Å²	59.6	49%	0.485	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.4	170.3	51.9	0	0	0	0	111.2	V115 S116	T100-V115 CarbonylContact O-C 3.47Å; T100-V115 WeakPolarHBondContact O-CA 3.32Å; T100-S116 PolarHBondContact N-O 3.16Å; T100-S116 PolarHBondContact O-N 3.1Å; T100-S116 PolarHBondContact O-OG 3.33Å; T100-S116 VanDerWaalsContact OG1-CB 3.23Å; T100-S116 WeakPolarHBondContact OG1-CB 3.26Å; T100-S116 PolarHBondContact OG1-OG 2.83Å
101	S	39.5	Very low	39.1	Very low	11 Å²	11	57 Å²	57	8%	0.077	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.9	174.5	48.2	0	0	0	0	112	I52 K114	I52-S101 PolarHBondContact O-OG 3.33Å; S101-K114 CarbonylContact C-O 3.49Å; S101-K114 VanDerWaalsContact CA-O 3.22Å; S101-K114 WeakPolarHBondContact CA-O 3.49Å
102	S	35	Very low	38.3	Very low	48 Å²	48	55.1 Å²	55.1	34%	0.336	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.2	169.6	62.3	0	0	0	0	109.3	K114	S102-K114 PolarHBondContact N-O 3.49Å; S102-K114 WeakPolarHBondContact O-CB 3.03Å; S102-K114 PolarHBondContact O-N 3.39Å; S102-K114 WeakPolarHBondContact OG-CB 3.23Å
103	L	37.5	Very low	37.8	Very low	27 Å²	27	53 Å²	53	14%	0.141	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	139.5	172.2	-146.6	112.1	0	0	0	107.6	L49 L67 I74 L110 Y113	L49-L103 HydrophobicContact CD1-CD2 4.46Å; L49-L103 VanDerWaalsContact CD2-C 3.41Å; L49-L103 HydrophobicContact CD2-CB 3.63Å; L49-L103 HydrophobicContact CD2-CD2 4.13Å; L49-L103 HydrophobicContact CD2-CG 4.49Å; L49-L103 WeakPolarHBondContact CD2-O 3.43Å; L49-L103 HydrophobicContact CG-CB 4.14Å; L49-L103 HydrophobicContact CG-CD2 4.06Å; L67-L103 HydrophobicContact CD1-CD1 4.17Å; L67-L103 HydrophobicContact CD2-CD2 4.29Å; I74-L103 HydrophobicContact CD1-CD1 4.03Å; L103-L110 HydrophobicContact CD1-CD1 3.94Å; L103-L110 HydrophobicContact CD2-CD1 3.19Å; L103-L110 HydrophobicContact CG-CD1 3.39Å; L103-Y113 HydrophobicContact CD1-CD2 3.47Å; L103-Y113 VanDerWaalsContact CD1-CD2 3.47Å; L103-Y113 HydrophobicContact CD1-CE2 3.63Å; L103-Y113 HydrophobicContact CG-CD2 4.32Å
104	V	33.8	Very low	37	Very low	61 Å²	61	51.2 Å²	51.2	37%	0.37	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	111.2	168.6	-175.9	0	0	0	0	107.6	L111 I112	V104-L111 PolarHBondContact O-N 3.33Å; V104-I112 HydrophobicContact CB-CB 4.33Å; V104-I112 PolarHBondContact N-O 2.97Å; V104-I112 PolarHBondContact O-N 3.35Å
105	A	33.3	Very low	36.7	Very low	16 Å²	16	50.7 Å²	50.7	13%	0.132	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.3	171.3	0	0	0	0	0	108.9	L44 V72	L44-A105 HydrophobicContact CD1-CB 4.08Å; V72-A105 HydrophobicContact CG1-CB 4.15Å; V72-A105 HydrophobicContact CG2-CB 4.23Å
106	L	31.4	Very low	36.3	Very low	81 Å²	81	47.3 Å²	47.3	42%	0.424	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119	171.5	-91.4	150.1	0	0	0	106.8	T109 L111	L106-T109 PolarHBondContact N-O 2.9Å; L106-T109 PolarHBondContact O-N 2.94Å; L106-L111 HydrophobicContact CB-CB 3.88Å; L106-L111 HydrophobicContact CB-CD1 3.87Å; L106-L111 HydrophobicContact CB-CG 4.33Å; L106-L111 HydrophobicContact CD1-CB 4.28Å; L106-L111 HydrophobicContact CD1-CD2 4.24Å
107	N	31.9	Very low	36.2	Very low	44 Å²	44	40.3 Å²	40.3	24%	0.235	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	43.9	174.3	-57.3	-18.1	0	0	0	115	K40 T41 L42 T109	K40-N107 WeakPolarHBondContact O-CB 3.2Å; K40-N107 PolarHBondContact O-ND2 2.89Å; K40-N107 VanDerWaalsContact O-ND2 3.1Å; K40-N107 PolarHBondContact O-OD1 2.82Å; T41-N107 VanDerWaalsContact CA-OD1 3.25Å; T41-N107 WeakPolarHBondContact CA-OD1 3.22Å; L42-N107 PolarHBondContact N-OD1 3.12Å; N107-T109 PolarHBondContact O-N 2.76Å
108	G	30.4	Very low	36.2	Very low	42 Å²	42	37.9 Å²	37.9	43%	0.433	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	-7	-179.5	0	0	0	0	0	114.5
109	T	33.6	Very low	36.2	Very low	50 Å²	50	37 Å²	37	31%	0.307	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.3	172.4	-51.4	0	0	0	0	108.2	V34 L106 N107 L111	V34-T109 HydrophobicContact CG2-CG2 4.49Å; L106-T109 PolarHBondContact N-O 2.9Å; L106-T109 PolarHBondContact O-N 2.94Å; N107-T109 PolarHBondContact O-N 2.76Å; T109-L111 VanDerWaalsContact C-N 3.29Å; T109-L111 HydrophobicContact CG2-CD1 4.45Å; T109-L111 PolarHBondContact O-N 3.4Å
110	L	36.8	Very low	36.4	Very low	3 Å²	3	41.8 Å²	41.8	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	94.9	170.6	-169.4	98.2	0	0	0	108.7	S32 V72 I74 L103	S32-L110 WeakPolarHBondContact CB-O 3.32Å; V72-L110 HydrophobicContact CG1-CB 3.7Å; V72-L110 HydrophobicContact CG1-CD1 3.58Å; V72-L110 HydrophobicContact CG1-CG 4.28Å; I74-L110 HydrophobicContact CB-CB 4.34Å; I74-L110 HydrophobicContact CB-CD2 4.11Å; I74-L110 HydrophobicContact CD1-CD1 3.43Å; I74-L110 VanDerWaalsContact CD1-CD1 3.43Å; I74-L110 HydrophobicContact CD1-CD2 3.72Å; I74-L110 HydrophobicContact CD1-CG 4.02Å; I74-L110 HydrophobicContact CG1-CB 3.65Å; I74-L110 HydrophobicContact CG1-CD1 3.48Å; I74-L110 VanDerWaalsContact CG1-CD1 3.48Å; I74-L110 HydrophobicContact CG1-CD2 3.58Å; I74-L110 HydrophobicContact CG1-CG 3.69Å; I74-L110 HydrophobicContact CG2-CD2 3.64Å; L103-L110 HydrophobicContact CD1-CD1 3.94Å; L103-L110 HydrophobicContact CD2-CD1 3.19Å; L103-L110 HydrophobicContact CG-CD1 3.39Å
111	L	36.1	Very low	36.5	Very low	52 Å²	52	44.3 Å²	44.3	27%	0.272	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-29.5	-170.8	-131.9	118.1	0	0	0	110.8	T31 S32 V104 L106 T109	T31-L111 WeakPolarHBondContact CA-O 3.24Å; T31-L111 WeakPolarHBondContact CG2-O 3.37Å; S32-L111 PolarHBondContact N-O 3.39Å; V104-L111 PolarHBondContact O-N 3.33Å; L106-L111 HydrophobicContact CB-CB 3.88Å; L106-L111 HydrophobicContact CB-CD1 3.87Å; L106-L111 HydrophobicContact CB-CG 4.33Å; L106-L111 HydrophobicContact CD1-CB 4.28Å; L106-L111 HydrophobicContact CD1-CD2 4.24Å; T109-L111 VanDerWaalsContact C-N 3.29Å; T109-L111 HydrophobicContact CG2-CD1 4.45Å; T109-L111 PolarHBondContact O-N 3.4Å
112	I	36.1	Very low	36.6	Very low	44 Å²	44	46.9 Å²	46.9	23%	0.226	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	113.5	-177.5	-53.9	177.3	0	0	0	112.1	T29 A30 V104 K114	T29-I112 HydrophobicContact CG2-CG2 3.49Å; T29-I112 VanDerWaalsContact CG2-CG2 3.49Å; A30-I112 CarbonylContact O-C 3.59Å; A30-I112 WeakPolarHBondContact O-CA 3.35Å; V104-I112 HydrophobicContact CB-CB 4.33Å; V104-I112 PolarHBondContact N-O 2.97Å; V104-I112 PolarHBondContact O-N 3.35Å; I112-K114 HydrophobicContact CG2-CB 4.01Å
113	Y	38.4	Very low	36.7	Very low	4 Å²	4	50 Å²	50	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	97.3	158.9	-165.6	-93.7	0	0	0	107.2	A30 F55 W79 I82 L103 V115	A30-Y113 VanDerWaalsContact CB-O 3.3Å; A30-Y113 WeakPolarHBondContact CB-O 3.24Å; A30-Y113 PolarHBondContact N-O 3.21Å; A30-Y113 PolarHBondContact O-N 2.99Å; F55-Y113 HydrophobicContact CE2-CE1 4.25Å; W79-Y113 HydrophobicContact CH2-CD2 4.4Å; W79-Y113 AromaticContact CH2-CE2 3.71Å; W79-Y113 HydrophobicContact CH2-CE2 3.71Å; W79-Y113 AromaticContact CZ3-CE2 3.81Å; W79-Y113 HydrophobicContact CZ3-CE2 3.81Å; W79-Y113 AromaticContact CZ3-CZ 3.98Å; I82-Y113 HydrophobicContact CB-CD1 4.31Å; I82-Y113 HydrophobicContact CB-CE1 4.26Å; I82-Y113 HydrophobicContact CD1-CD1 3.27Å; I82-Y113 HydrophobicContact CD1-CD2 3.86Å; I82-Y113 HydrophobicContact CD1-CE1 3.85Å; I82-Y113 HydrophobicContact CD1-CE2 4.38Å; I82-Y113 HydrophobicContact CD1-CG 3.29Å; I82-Y113 HydrophobicContact CG1-CD1 3.52Å; I82-Y113 HydrophobicContact CG1-CE1 3.98Å; I82-Y113 HydrophobicContact CG1-CG 4.06Å; I82-Y113 HydrophobicContact CG2-CD1 3.79Å; I82-Y113 HydrophobicContact CG2-CE1 3.27Å; L103-Y113 HydrophobicContact CD1-CD2 3.47Å; L103-Y113 VanDerWaalsContact CD1-CD2 3.47Å; L103-Y113 HydrophobicContact CD1-CE2 3.63Å; L103-Y113 HydrophobicContact CG-CD2 4.32Å; Y113-V115 HydrophobicContact CD1-CG2 3.24Å; Y113-V115 HydrophobicContact CE1-CG2 3.17Å
114	K	37.5	Very low	36.6	Very low	68 Å²	68	54 Å²	54	30%	0.296	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.4	178.7	178.3	-179.3	178.7	-177.4	0	107.7	I28 S101 S102 I112	I28-K114 CarbonylContact O-C 3.48Å; I28-K114 WeakPolarHBondContact O-CA 3.29Å; S101-K114 CarbonylContact C-O 3.49Å; S101-K114 VanDerWaalsContact CA-O 3.22Å; S101-K114 WeakPolarHBondContact CA-O 3.49Å; S102-K114 PolarHBondContact N-O 3.49Å; S102-K114 WeakPolarHBondContact O-CB 3.03Å; S102-K114 PolarHBondContact O-N 3.39Å; S102-K114 WeakPolarHBondContact OG-CB 3.23Å; I112-K114 HydrophobicContact CG2-CB 4.01Å
115	V	39.5	Very low	36.6	Very low	7 Å²	7	52.1 Å²	52.1	4%	0.042	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	112.3	171.4	-158.1	0	0	0	0	108.2	I28 F55 T100 Y113 F117	I28-V115 CarbonylContact C-O 3.39Å; I28-V115 VanDerWaalsContact CA-O 3.24Å; I28-V115 WeakPolarHBondContact CA-O 3.36Å; I28-V115 WeakPolarHBondContact CB-O 3.18Å; I28-V115 PolarHBondContact N-O 3.37Å; I28-V115 CarbonylContact O-C 3.51Å; I28-V115 PolarHBondContact O-N 2.84Å; F55-V115 HydrophobicContact CD2-CG1 3.58Å; F55-V115 HydrophobicContact CE2-CB 4.38Å; F55-V115 HydrophobicContact CE2-CG1 3.45Å; F55-V115 VanDerWaalsContact CE2-CG1 3.45Å; F55-V115 HydrophobicContact CE2-CG2 4Å; F55-V115 HydrophobicContact CZ-CG1 4.45Å; T100-V115 CarbonylContact O-C 3.47Å; T100-V115 WeakPolarHBondContact O-CA 3.32Å; Y113-V115 HydrophobicContact CD1-CG2 3.24Å; Y113-V115 HydrophobicContact CE1-CG2 3.17Å; V115-F117 HydrophobicContact CB-CD2 4.18Å; V115-F117 HydrophobicContact CB-CE2 3.51Å; V115-F117 HydrophobicContact CB-CZ 4.01Å; V115-F117 HydrophobicContact CG1-CD2 3.88Å; V115-F117 HydrophobicContact CG1-CE1 3.87Å; V115-F117 HydrophobicContact CG1-CE2 3.12Å; V115-F117 HydrophobicContact CG1-CZ 3.13Å
116	S	36	Very low	36.7	Very low	18 Å²	18	57.9 Å²	57.9	13%	0.126	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.5	179.2	-41.2	0	0	0	0	108.1	L27 S98 A99 T100	L27-S116 WeakPolarHBondContact CD2-OG 3.14Å; S98-S116 VanDerWaalsContact O-O 3.13Å; A99-S116 CarbonylContact C-O 3.5Å; A99-S116 WeakPolarHBondContact CA-O 3.15Å; T100-S116 PolarHBondContact N-O 3.16Å; T100-S116 PolarHBondContact O-N 3.1Å; T100-S116 PolarHBondContact O-OG 3.33Å; T100-S116 VanDerWaalsContact OG1-CB 3.23Å; T100-S116 WeakPolarHBondContact OG1-CB 3.26Å; T100-S116 PolarHBondContact OG1-OG 2.83Å
117	F	42	Very low	37	Very low	6 Å²	6	57.5 Å²	57.5	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.9	174.6	-61.6	-82.9	0	0	0	109.2	G26 I28 F55 I85 M89 S98 A99 V115 L119	G26-F117 CarbonylContact C-O 3.13Å; G26-F117 WeakPolarHBondContact CA-O 3.35Å; G26-F117 CarbonylContact O-C 3.5Å; G26-F117 PolarHBondContact O-N 2.77Å; I28-F117 HydrophobicContact CB-CD2 4.48Å; I28-F117 HydrophobicContact CD1-CD2 3.61Å; I28-F117 HydrophobicContact CD1-CE2 3.9Å; I28-F117 HydrophobicContact CG1-CD2 4Å; F55-F117 HydrophobicContact CD1-CZ 4.49Å; F55-F117 HydrophobicContact CD2-CE1 4.38Å; F55-F117 HydrophobicContact CD2-CZ 4.13Å; F55-F117 HydrophobicContact CE2-CZ 4.16Å; F55-F117 HydrophobicContact CG-CE1 4.23Å; F55-F117 HydrophobicContact CG-CZ 4.29Å; F55-F117 HydrophobicContact CZ-CZ 4.36Å; I85-F117 HydrophobicContact CG2-CE2 4.19Å; M89-F117 HydrophobicContact CE-CB 3.68Å; M89-F117 HydrophobicContact CE-CD1 3.01Å; M89-F117 HydrophobicContact CE-CD2 3.89Å; M89-F117 HydrophobicContact CE-CE1 3.37Å; M89-F117 HydrophobicContact CE-CE2 4.18Å; M89-F117 HydrophobicContact CE-CG 3.28Å; M89-F117 HydrophobicContact CE-CZ 3.93Å; M89-F117 HydrophobicContact SD-CB 4.46Å; M89-F117 HydrophobicContact SD-CD1 3.49Å; M89-F117 WeakPolarHBondContact SD-CD1 3.24Å; M89-F117 HydrophobicContact SD-CD2 3.56Å; M89-F117 VanDerWaalsContact SD-CD2 3.56Å; M89-F117 HydrophobicContact SD-CE1 3.26Å; M89-F117 WeakPolarHBondContact SD-CE1 3.48Å; M89-F117 HydrophobicContact SD-CE2 3.32Å; M89-F117 WeakPolarHBondContact SD-CE2 3.32Å; M89-F117 HydrophobicContact SD-CG 3.61Å; M89-F117 HydrophobicContact SD-CZ 3.15Å; M89-F117 WeakPolarHBondContact SD-CZ 3.21Å; S98-F117 CarbonylContact O-C 3.46Å; S98-F117 WeakPolarHBondContact O-CA 3.2Å; A99-F117 HydrophobicContact CB-CD1 3.24Å; A99-F117 HydrophobicContact CB-CE1 3.15Å; A99-F117 HydrophobicContact CB-CG 4.42Å; A99-F117 HydrophobicContact CB-CZ 4.27Å; V115-F117 HydrophobicContact CB-CD2 4.18Å; V115-F117 HydrophobicContact CB-CE2 3.51Å; V115-F117 HydrophobicContact CB-CZ 4.01Å; V115-F117 HydrophobicContact CG1-CD2 3.88Å; V115-F117 HydrophobicContact CG1-CE1 3.87Å; V115-F117 HydrophobicContact CG1-CE2 3.12Å; V115-F117 HydrophobicContact CG1-CZ 3.13Å; F117-L119 HydrophobicContact CB-CD1 4.47Å; F117-L119 HydrophobicContact CB-CD2 4.33Å; F117-L119 HydrophobicContact CB-CG 3.99Å; F117-L119 WeakPolarHBondContact O-CG 2.9Å; F117-L119 PolarHBondContact O-N 2.85Å
118	D	39.6	Very low	37	Very low	101 Å²	101	58.8 Å²	58.8	54%	0.54	34%	0.34	S	S	.	.			trans	-63.9	102.8	169.4	-166.9	-21.7	0	0	0	109.5	S98 S120	S98-D118 PolarHBondContact O-N 2.93Å; D118-S120 PolarHBondContact OD1-N 2.91Å; D118-S120 PolarHBondContact OD1-OG 2.69Å
119	L	38.2	Very low	37.3	Very low	11 Å²	11	57 Å²	57	6%	0.058	32%	0.32	C	S	.	.			trans	-109.4	32.2	-175.3	-71.3	172.2	0	0	0	111.5	I28 F117 I121 W122	I28-L119 HydrophobicContact CD1-CD1 4.13Å; I28-L119 HydrophobicContact CG1-CD1 4.06Å; F117-L119 HydrophobicContact CB-CD1 4.47Å; F117-L119 HydrophobicContact CB-CD2 4.33Å; F117-L119 HydrophobicContact CB-CG 3.99Å; F117-L119 WeakPolarHBondContact O-CG 2.9Å; F117-L119 PolarHBondContact O-N 2.85Å; L119-I121 PolarHBondContact O-N 2.95Å; L119-W122 HydrophobicContact CB-CB 4.16Å; L119-W122 HydrophobicContact CB-CG 4.48Å; L119-W122 HydrophobicContact CD2-CB 4.02Å; L119-W122 HydrophobicContact CD2-CD2 3.66Å; L119-W122 HydrophobicContact CD2-CE3 4.26Å; L119-W122 HydrophobicContact CD2-CG 3.52Å; L119-W122 HydrophobicContact CG-CG 4.5Å; L119-W122 PolarHBondContact O-N 3.36Å
120	S	39.8	Very low	37.3	Very low	105 Å²	105	62.4 Å²	62.4	73%	0.734	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-10.8	168.9	39	0	0	0	0	114.4	D118	D118-S120 PolarHBondContact OD1-N 2.91Å; D118-S120 PolarHBondContact OD1-OG 2.69Å
121	I	40.5	Very low	37	Very low	132 Å²	132	62.6 Å²	62.6	68%	0.677	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-4.1	178.1	3.7	171.3	0	0	0	115.1	L119	L119-I121 PolarHBondContact O-N 2.95Å
122	W	41.8	Very low	36.6	Very low	65 Å²	65	64.7 Å²	64.7	25%	0.246	36%	0.358	C	S	.	.			trans	-122.8	136	-171	-62.7	48.7	0	0	0	112.4	W2 A92 V94 L119	W2-W122 AromaticContact CE2-CZ3 3.7Å; W2-W122 AromaticContact CH2-CH2 3.28Å; W2-W122 HydrophobicContact CH2-CH2 3.28Å; W2-W122 HydrophobicContact CH2-CZ2 4.29Å; W2-W122 AromaticContact CH2-CZ3 3.47Å; W2-W122 HydrophobicContact CH2-CZ3 3.47Å; W2-W122 VanDerWaalsContact CH2-CZ3 3.47Å; W2-W122 AromaticContact CZ2-CE3 3.9Å; W2-W122 HydrophobicContact CZ2-CE3 3.9Å; W2-W122 AromaticContact CZ2-CH2 3.13Å; W2-W122 HydrophobicContact CZ2-CH2 3.13Å; W2-W122 AromaticContact CZ2-CZ2 3.89Å; W2-W122 HydrophobicContact CZ2-CZ2 3.89Å; W2-W122 AromaticContact CZ2-CZ3 3.12Å; W2-W122 HydrophobicContact CZ2-CZ3 3.12Å; W2-W122 HydrophobicContact CZ3-CH2 4.37Å; W2-W122 HydrophobicContact CZ3-CZ3 4.28Å; A92-W122 HydrophobicContact CB-CZ2 3.97Å; V94-W122 HydrophobicContact CG2-CZ2 4.3Å; L119-W122 HydrophobicContact CB-CB 4.16Å; L119-W122 HydrophobicContact CB-CG 4.48Å; L119-W122 HydrophobicContact CD2-CB 4.02Å; L119-W122 HydrophobicContact CD2-CD2 3.66Å; L119-W122 HydrophobicContact CD2-CE3 4.26Å; L119-W122 HydrophobicContact CD2-CG 3.52Å; L119-W122 HydrophobicContact CG-CG 4.5Å; L119-W122 PolarHBondContact O-N 3.36Å
123	S	35.4	Very low	36.3	Very low	113 Å²	113	66.8 Å²	66.8	79%	0.79	37%	0.369	S	S	*	.			trans	-79.6	142.9	172.3	44.7	0	0	0	0	111.1	G125	S123-G125 PolarHBondContact O-N 3.14Å
124	N	36.7	Very low	36.1	Very low	111 Å²	111	71.9 Å²	71.9	59%	0.594	39%	0.392	S	S	*	.			trans	-38.7	123.6	-178.2	-75.4	-43.7	0	0	0	113.6	S23	S23-N124 WeakPolarHBondContact CB-OD1 3.24Å; S23-N124 PolarHBondContact N-OD1 2.95Å; S23-N124 PolarHBondContact OG-ND2 3.13Å; S23-N124 PolarHBondContact OG-OD1 3.1Å
125	G	34.2	Very low	35.7	Very low	22 Å²	22	73.6 Å²	73.6	23%	0.227	41%	0.41	C	S	.	.			trans	-133.7	140.9	177.8	0	0	0	0	0	112.7	S21 S123	S21-G125 PolarHBondContact N-O 3.18Å; S21-G125 PolarHBondContact OG-N 2.88Å; S21-G125 PolarHBondContact OG-O 2.94Å; S123-G125 PolarHBondContact O-N 3.14Å
126	I	35.7	Very low	35.3	Very low	137 Å²	137	79 Å²	79	70%	0.703	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.4	171.1	-59.3	173.8	0	0	0	107.3
127	F	36.8	Very low	35.2	Very low	73 Å²	73	84.9 Å²	84.9	32%	0.32	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.5	174.9	-60.1	-94.2	0	0	0	108.8	I19	I19-F127 WeakPolarHBondContact CA-O 3.34Å; I19-F127 HydrophobicContact CB-CB 4.11Å; I19-F127 WeakPolarHBondContact CB-O 3.23Å; I19-F127 PolarHBondContact N-O 3.3Å; I19-F127 PolarHBondContact O-N 3.32Å
128	S	32.1	Very low	34.7	Very low	70 Å²	70	88.5 Å²	88.5	49%	0.49	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.8	177.4	-60.7	0	0	0	0	109
129	L	35.9	Very low	34.5	Very low	4 Å²	4	88.8 Å²	88.8	2%	0.021	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.2	170.5	-148.5	78.6	0	0	0	110	Y7 C9 C17 V77 L81	Y7-L129 HydrophobicContact CD2-CD1 3.65Å; Y7-L129 HydrophobicContact CG-CD1 3.97Å; Y7-L129 VanDerWaalsContact O-CD1 3.26Å; Y7-L129 WeakPolarHBondContact O-CD1 3.32Å; Y7-L129 WeakPolarHBondContact O-CG 3.48Å; C9-L129 HydrophobicContact CB-CD2 4.18Å; C17-L129 HydrophobicContact CB-CB 4.22Å; C17-L129 PolarHBondContact N-O 3.46Å; C17-L129 PolarHBondContact O-N 3.22Å; V77-L129 HydrophobicContact CG1-CD2 4.25Å; L81-L129 HydrophobicContact CD1-CB 3.84Å; L81-L129 HydrophobicContact CD1-CD1 3.48Å; L81-L129 VanDerWaalsContact CD1-CD1 3.48Å; L81-L129 HydrophobicContact CD1-CD2 4.19Å; L81-L129 HydrophobicContact CD1-CG 4.04Å; L81-L129 HydrophobicContact CD2-CB 3.8Å; L81-L129 HydrophobicContact CG-CB 4.41Å
130	F	33.4	Very low	34.5	Very low	164 Å²	164	94.1 Å²	94.1	72%	0.719	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	125.6	170.5	-93.2	-89	0	0	0	109.1
131	C	30.4	Very low	34.5	Very low	8 Å²	8	96.7 Å²	96.7	5%	0.054	55%	0.553	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-116	115.1	177.6	-68.6	0	0	0	0	110.8	C9 V77 L133	C9-C131 VanDerWaalsContact CA-SG 3.52Å; C9-C131 HydrophobicContact CB-CB 4.12Å; C9-C131 WeakPolarHBondContact CB-SG 2.8Å; C9-C131 PolarHBondContact N-SG 2.87Å; C9-C131 WeakPolarHBondContact O-CB 3.43Å; C9-C131 WeakPolarHBondContact SG-CB 3.16Å; C9-C131 CovalentContact SG-SG 1.93Å; C9-C131 PolarHBondContact SG-SG 3.26Å; V77-C131 HydrophobicContact CG1-CB 4.45Å; C131-L133 PolarHBondContact O-N 2.88Å
132	P	28.2	Very low	34.6	Very low	95 Å²	95	95.7 Å²	95.7	62%	0.617	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-65.6	137.6	177.5	26.8	-30.4	0	0	0	108.9	K134	P132-K134 PolarHBondContact O-N 3.05Å
133	L	29.8	Very low	34.5	Very low	88 Å²	88	99.9 Å²	99.9	46%	0.461	58%	0.581	S	S	.	*	B	Isolated β-bridge	trans	-48.6	134.5	167.1	-94.1	143.6	0	0	0	109.4	S12 P14 C131	S12-L133 WeakPolarHBondContact O-CD2 3.48Å; P14-L133 HydrophobicContact CB-CD1 3.71Å; P14-L133 HydrophobicContact CB-CG 4.16Å; P14-L133 HydrophobicContact CG-CD1 3.67Å; P14-L133 HydrophobicContact CG-CG 4.32Å; C131-L133 PolarHBondContact O-N 2.88Å
134	K	33.7	Very low	34.8	Very low	111 Å²	111	104.2 Å²	104.2	48%	0.483	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-53.9	128.7	161.3	-158	175.8	-172.7	176.7	0	106.3	S11 P132 L137	S11-K134 PolarHBondContact O-N 2.77Å; S11-K134 VanDerWaalsContact O-N 3.15Å; P132-K134 PolarHBondContact O-N 3.05Å; K134-L137 HydrophobicContact CD-CD1 4.37Å
135	P	29.5	Very low	35.3	Very low	104 Å²	104	107.6 Å²	107.6	68%	0.675	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-52.6	137.1	170.1	22.6	-30.7	0	0	0	106.5	L137	P135-L137 PolarHBondContact O-N 3.24Å
136	P	30.6	Very low	35.8	Very low	122 Å²	122	111.6 Å²	111.6	79%	0.792	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-48.6	123.3	-177.3	18.8	-30.1	0	0	0	107.1	A138	P136-A138 PolarHBondContact O-N 3.31Å
137	L	35.1	Very low	36.5	Very low	140 Å²	140	113.8 Å²	113.8	73%	0.733	63%	0.63	S	S	*	*			trans	-48.2	115.6	166	-91.4	127.2	0	0	0	104.1	K134 P135	K134-L137 HydrophobicContact CD-CD1 4.37Å; P135-L137 PolarHBondContact O-N 3.24Å
138	A	31.2	Very low	36.7	Very low	82 Å²	82	115 Å²	115	68%	0.678	65%	0.645	S	S	*	*			trans	-42.7	132.8	-179.9	0	0	0	0	0	107.1	P136	P136-A138 PolarHBondContact O-N 3.31Å
139	P	35.8	Very low	37.2	Very low	108 Å²	108	119 Å²	119	70%	0.701	66%	0.661	S	S	*	*			trans	-46.8	135	-177	18.5	-30.3	0	0	0	107.4	L141	P139-L141 PolarHBondContact O-N 3.19Å
140	P	38	Very low	37.6	Very low	122 Å²	122	128.5 Å²	128.5	79%	0.792	70%	0.701	S	S	*	*			trans	-47.8	119.1	179	19.7	-30.1	0	0	0	105.9
141	L	39	Very low	38	Very low	159 Å²	159	125.3 Å²	125.3	83%	0.832	70%	0.697	S	S	*	*			trans	-41.1	121.6	177.9	-87.1	154.5	0	0	0	105.5	P139 L143	P139-L141 PolarHBondContact O-N 3.19Å; L141-L143 PolarHBondContact O-N 3.25Å
142	P	43.3	Very low	39	Very low	112 Å²	112	129.7 Å²	129.7	73%	0.727	73%	0.726	S	S	*	*			trans	-51.8	114.7	-178.5	17.9	-28.9	0	0	0	105.5	K144	P142-K144 VanDerWaalsContact C-N 3.27Å; P142-K144 PolarHBondContact O-N 2.89Å
143	L	40.1	Very low	39.9	Very low	153 Å²	153	136.9 Å²	136.9	80%	0.801	76%	0.758	S	S	*	*			trans	-49.9	108.4	168.5	-86.4	156.3	0	0	0	102.7	L141 F145	L141-L143 PolarHBondContact O-N 3.25Å; L143-F145 WeakPolarHBondContact O-CD2 3.41Å; L143-F145 PolarHBondContact O-N 3.49Å
144	K	42.2	Very low	40.4	Very low	203 Å²	203	139.4 Å²	139.4	88%	0.883	77%	0.773	S	S	*	*			trans	-55.5	97.3	172.1	-81.5	-179.4	176.3	180	0	103.6	P142	P142-K144 VanDerWaalsContact C-N 3.27Å; P142-K144 PolarHBondContact O-N 2.89Å
145	F	47.2	Very low	40.7	Very low	182 Å²	182	140.8 Å²	140.8	80%	0.798	79%	0.788	S	S	*	*			trans	-48.8	129.6	167.2	-79.4	-89.4	0	0	0	104.6	L143 L147	L143-F145 WeakPolarHBondContact O-CD2 3.41Å; L143-F145 PolarHBondContact O-N 3.49Å; F145-L147 PolarHBondContact O-N 3.22Å
146	P	44.9	Very low	41.3	Very low	107 Å²	107	142.9 Å²	142.9	70%	0.695	79%	0.794	S	S	*	*			trans	-58	112.6	-179	24.1	-30.3	0	0	0	105.6	P148	P146-P148 WeakPolarHBondContact O-CD 3.27Å; P146-P148 WeakPolarHBondContact O-CG 3.07Å; P146-P148 VanDerWaalsContact O-N 3.16Å
147	L	49.2	Very low	42	Very low	182 Å²	182	144.1 Å²	144.1	95%	0.953	79%	0.794	S	S	*	*			trans	-47.7	116.2	177.1	-91.8	146.9	0	0	0	109.6	F145	F145-L147 PolarHBondContact O-N 3.22Å
148	P	41.5	Very low	42.4	Very low	100 Å²	100	144.4 Å²	144.4	65%	0.649	80%	0.798	S	S	*	*			trans	-135.4	106.9	168.4	33.5	-9.8	0	0	0	108.5	P146	P146-P148 WeakPolarHBondContact O-CD 3.27Å; P146-P148 WeakPolarHBondContact O-CG 3.07Å; P146-P148 VanDerWaalsContact O-N 3.16Å
149	L	42.6	Very low	43.1	Very low	154 Å²	154	148.5 Å²	148.5	81%	0.806	81%	0.806	S	S	*	*			cis	-171.6	133.3	38.1	-86.9	133.1	0	0	0	104.7
150	K	44.3	Very low	43.7	Very low	202 Å²	202	151.4 Å²	151.4	88%	0.878	81%	0.814	S	S	*	*			trans	-84.3	122.6	140.3	-149.7	179.8	-173.7	-178.8	0	104.1
151	P	41.4	Very low	44.1	Very low	97 Å²	97	153.7 Å²	153.7	63%	0.63	82%	0.815	S	S	*	*				-152.3	179	98.2	41.7	-25.2	0	0	0	113.2
152	P	52.4	Low	44.5	Very low	101 Å²	101	153.3 Å²	153.3	66%	0.656	81%	0.814	S	S	*	*			cis	-133.6	169.8	-25.8	23.6	-2	0	0	0	113.7
153	L	45.5	Very low	44.6	Very low	246 Å²	246	157 Å²	157	100%	1.288	82%	0.822	S	S	*	*			trans	58.6	0	155.3	-85.6	121.6	0	0	0	119

Retrieved 153 of 153 residues in 42.5 ms (Link to these results)

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