A0A061IBH8_CRIGR Loading...

hypoxia-inducible factor-proline dioxygenase

AlphaFold DB , UniProt , Accession A0A061IBH8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 126 aa.

						>A0A061IBH8_CRIGR|A0A061IBH8
MVACYPGNGTGYVRHVDNPNGDGRCVTCIYYLNKDWDAKVSGGILRIFPEGKAQFADIEPKFDRLLFFWSDRRNPHEVQPAYATRYAITVWYFDADERARAKVKYLTGEKGVRVELNKPNSVSKDV
					

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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	95.4	Very high	97.5	Very high	121 Å²	121	63.7 Å²	63.7	60%	0.596	39%	0.391	S	S	*	.				0	122.9	0	-179.8	-178.5	80.8	0	0	108.3	A3 I88 T89 W91	M1-A3 HydrophobicContact CE-CB 4.24Å; M1-I88 CarbonylContact O-C 3.59Å; M1-I88 WeakPolarHBondContact O-CA 3.37Å; M1-T89 PolarHBondContact N-O 3.1Å; M1-T89 PolarHBondContact O-N 3.01Å; M1-W91 HydrophobicContact CB-CH2 4.17Å; M1-W91 HydrophobicContact CB-CZ3 3.94Å; M1-W91 HydrophobicContact CE-CH2 3.89Å; M1-W91 HydrophobicContact SD-CH2 3.94Å
2	V	97.9	Very high	97.6	Very high	111 Å²	111	68.3 Å²	68.3	67%	0.673	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.5	168.8	-176.6	0	0	0	0	107	I88	V2-I88 HydrophobicContact CG1-CG1 4.46Å; V2-I88 HydrophobicContact CG2-CG1 4.29Å
3	A	97.8	Very high	97.7	Very high	17 Å²	17	72.1 Å²	72.1	14%	0.14	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.4	-176.8	0	0	0	0	0	111.3	M1 Y5 Y86 A87	M1-A3 HydrophobicContact CE-CB 4.24Å; A3-Y5 HydrophobicContact CB-CE2 4.26Å; A3-Y86 WeakPolarHBondContact O-CA 3.33Å; A3-A87 PolarHBondContact N-O 2.64Å; A3-A87 PolarHBondContact O-N 2.91Å; A3-A87 VanDerWaalsContact O-N 3.16Å
4	C	98.5	Very high	97.7	Very high	67 Å²	67	76.4 Å²	76.4	45%	0.453	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	116.8	172.1	178.7	0	0	0	0	108.2	Y86	C4-Y86 HydrophobicContact CB-CD1 3.88Å; C4-Y86 HydrophobicContact CB-CE1 3.61Å; C4-Y86 WeakPolarHBondContact SG-CE1 3.39Å
5	Y	98.1	Very high	97.8	Very high	41 Å²	41	74.7 Å²	74.7	16%	0.161	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113.8	165.3	-64.1	-102.1	0	0	0	106.4	A3 G7 Y12 T84 R85	A3-Y5 HydrophobicContact CB-CE2 4.26Å; Y5-G7 PolarHBondContact O-N 3.07Å; Y5-G7 VanDerWaalsContact O-N 3.1Å; Y5-Y12 HydrophobicContact CE1-CD2 4.49Å; Y5-T84 CarbonylContact O-C 3.54Å; Y5-T84 WeakPolarHBondContact O-CA 3.49Å; Y5-R85 PolarHBondContact N-O 3.29Å; Y5-R85 PolarHBondContact O-N 3.32Å
6	P	97.8	Very high	97.8	Very high	78 Å²	78	71.9 Å²	71.9	51%	0.506	40%	0.4	S	S	.	.			trans	-71.7	-6.6	-168.2	28.2	-35.7	0	0	0	114.1	T10 T84	P6-T10 HydrophobicContact CG-CG2 4.28Å; P6-T84 PolarHBondContact O-OG1 2.92Å
7	G	96.8	Very high	97.9	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.01	38%	0.381	C	S	.	.	S	Bend	trans	102.4	-146.3	-170.7	0	0	0	0	0	111.1	Y5 G9 T10 A81	Y5-G7 PolarHBondContact O-N 3.07Å; Y5-G7 VanDerWaalsContact O-N 3.1Å; G7-G9 PolarHBondContact O-N 3.36Å; G7-T10 WeakPolarHBondContact O-CB 3.42Å; G7-T10 VanDerWaalsContact O-CG2 3.3Å; G7-T10 WeakPolarHBondContact O-CG2 3.44Å; G7-T10 PolarHBondContact O-N 2.89Å; G7-T10 PolarHBondContact O-OG1 3.1Å; G7-A81 CarbonylContact C-O 3.53Å; G7-A81 VanDerWaalsContact CA-O 3.23Å; G7-A81 WeakPolarHBondContact CA-O 3.42Å
8	N	96.9	Very high	97.9	Very high	152 Å²	152	65.1 Å²	65.1	81%	0.813	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	31.7	176.8	-59.5	-25.9	0	0	0	115	T10 A81	N8-T10 PolarHBondContact O-N 2.88Å; N8-A81 PolarHBondContact N-O 3.1Å
9	G	97.8	Very high	97.8	Very high	27 Å²	27	64.1 Å²	64.1	28%	0.278	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	9.3	-178.3	0	0	0	0	0	114.1	G7 A81	G7-G9 PolarHBondContact O-N 3.36Å; G9-A81 WeakPolarHBondContact CA-O 3.04Å; G9-A81 PolarHBondContact N-O 2.89Å
10	T	98.2	Very high	97.8	Very high	52 Å²	52	65.9 Å²	65.9	32%	0.319	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	141.2	172.3	57.3	0	0	0	0	110.5	P6 G7 N8 A81	P6-T10 HydrophobicContact CG-CG2 4.28Å; G7-T10 WeakPolarHBondContact O-CB 3.42Å; G7-T10 VanDerWaalsContact O-CG2 3.3Å; G7-T10 WeakPolarHBondContact O-CG2 3.44Å; G7-T10 PolarHBondContact O-N 2.89Å; G7-T10 PolarHBondContact O-OG1 3.1Å; N8-T10 PolarHBondContact O-N 2.88Å; T10-A81 PolarHBondContact O-N 2.93Å
11	G	97.7	Very high	97.7	Very high	34 Å²	34	64 Å²	64	35%	0.351	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	-164.3	-179.3	0	0	0	0	0	110.2	V78	G11-V78 WeakPolarHBondContact CA-O 3.41Å
12	Y	98.4	Very high	97.7	Very high	119 Å²	119	59.9 Å²	59.9	47%	0.467	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	125.4	175.5	-152.2	-87.5	0	0	0	109.6	Y5 H15 V78	Y5-Y12 HydrophobicContact CE1-CD2 4.49Å; Y12-H15 AromaticContact CD1-CE1 3.3Å; Y12-H15 WeakPolarHBondContact CD1-CE1 3.46Å; Y12-H15 AromaticContact CD1-ND1 3.37Å; Y12-H15 WeakPolarHBondContact CD1-ND1 3.46Å; Y12-H15 AromaticContact CD1-NE2 3.98Å; Y12-H15 AromaticContact CE1-CD2 3.98Å; Y12-H15 AromaticContact CE1-CE1 3.53Å; Y12-H15 AromaticContact CE1-CG 3.85Å; Y12-H15 AromaticContact CE1-ND1 3.56Å; Y12-H15 AromaticContact CE1-NE2 3.76Å; Y12-V78 PolarHBondContact N-O 3.39Å; Y12-V78 PolarHBondContact O-N 3.39Å
13	V	98.3	Very high	97.7	Very high	117 Å²	117	54.6 Å²	54.6	71%	0.709	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	157.7	-176	-62.9	0	0	0	0	111.6	H15	V13-H15 PolarHBondContact O-N 3.07Å; V13-H15 PolarHBondContact O-ND1 3.3Å
14	R	98.5	Very high	97.7	Very high	133 Å²	133	56.3 Å²	56.3	50%	0.502	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	126.8	176.5	-169.6	174.3	177.8	178.2	-0.7	111.5	F48 H76 E77	R14-F48 HydrophobicContact CG-CE2 4.42Å; R14-F48 VanDerWaalsContact NH2-CB 3.28Å; R14-H76 CarbonylContact C-O 3.55Å; R14-H76 VanDerWaalsContact CA-O 3.3Å; R14-H76 WeakPolarHBondContact CA-O 3.4Å; R14-E77 HydrophobicContact CB-CB 4.03Å
15	H	98.6	Very high	97.7	Very high	50 Å²	50	54.6 Å²	54.6	23%	0.231	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	175.9	-178.1	66.7	-67.7	0	0	0	111.3	Y12 V13 D17 P75 H76	Y12-H15 AromaticContact CD1-CE1 3.3Å; Y12-H15 WeakPolarHBondContact CD1-CE1 3.46Å; Y12-H15 AromaticContact CD1-ND1 3.37Å; Y12-H15 WeakPolarHBondContact CD1-ND1 3.46Å; Y12-H15 AromaticContact CD1-NE2 3.98Å; Y12-H15 AromaticContact CE1-CD2 3.98Å; Y12-H15 AromaticContact CE1-CE1 3.53Å; Y12-H15 AromaticContact CE1-CG 3.85Å; Y12-H15 AromaticContact CE1-ND1 3.56Å; Y12-H15 AromaticContact CE1-NE2 3.76Å; V13-H15 PolarHBondContact O-N 3.07Å; V13-H15 PolarHBondContact O-ND1 3.3Å; H15-D17 IonicContact CD2-OD1 3.19Å; H15-D17 IonicContact NE2-OD1 2.89Å; H15-D17 PolarHBondContact NE2-OD1 3.39Å; H15-P75 CarbonylContact O-C 3.54Å; H15-P75 VanDerWaalsContact O-CA 3.28Å; H15-P75 WeakPolarHBondContact O-CA 3.15Å; H15-H76 AromaticContact CE1-CD2 3.65Å; H15-H76 AromaticContact CE1-NE2 3.37Å; H15-H76 PolarHBondContact CE1-NE2 3.12Å; H15-H76 PolarHBondContact N-O 2.79Å; H15-H76 PolarHBondContact ND1-O 2.99Å; H15-H76 AromaticContact NE2-CE1 3.83Å; H15-H76 AromaticContact NE2-NE2 3.34Å; H15-H76 PolarHBondContact NE2-NE2 3.4Å; H15-H76 PolarHBondContact O-N 2.94Å
16	V	98.7	Very high	97.7	Very high	31 Å²	31	54 Å²	54	19%	0.188	30%	0.303	C	S	.	.			trans	-119.5	134.9	169.3	172.3	0	0	0	0	106.2	P19 D71 R72 P75	V16-P19 HydrophobicContact CB-CB 4.24Å; V16-P19 HydrophobicContact CG1-CB 4.21Å; V16-P19 WeakPolarHBondContact O-CD 3.04Å; V16-D71 VanDerWaalsContact CG1-C 3.41Å; V16-D71 WeakPolarHBondContact CG1-O 3.42Å; V16-R72 HydrophobicContact CG1-CG 4.21Å; V16-P75 HydrophobicContact CG2-CB 4.12Å; V16-P75 HydrophobicContact CG2-CG 4.01Å
17	D	98.4	Very high	97.8	Very high	15 Å²	15	50.4 Å²	50.4	8%	0.08	28%	0.279	C	S	.	.	S	Bend	trans	-64.2	-51.3	-177.2	-89.3	-17.9	0	0	0	111.1	H15 P19 R24 T27 S70 H76 W91	H15-D17 IonicContact CD2-OD1 3.19Å; H15-D17 IonicContact NE2-OD1 2.89Å; H15-D17 PolarHBondContact NE2-OD1 3.39Å; D17-P19 WeakPolarHBondContact O-CD 3.24Å; D17-R24 PolarHBondContact O-NH1 3.21Å; D17-R24 PolarHBondContact O-NH2 2.82Å; D17-T27 WeakPolarHBondContact OD2-CB 3.43Å; D17-T27 VanDerWaalsContact OD2-CG2 3.27Å; D17-T27 WeakPolarHBondContact OD2-CG2 3.43Å; D17-T27 PolarHBondContact OD2-OG1 2.86Å; D17-S70 WeakPolarHBondContact CB-O 3.3Å; D17-S70 PolarHBondContact N-O 3.36Å; D17-H76 IonicContact OD1-CE1 2.76Å; D17-H76 IonicContact OD1-NE2 2.65Å; D17-H76 IonicContact OD2-CE1 3.63Å; D17-W91 PolarHBondContact OD2-NE1 2.97Å
18	N	98.2	Very high	97.9	Very high	5 Å²	5	51 Å²	51	3%	0.027	28%	0.283	C	S	.	.	S	Bend	trans	-119	79.5	179.1	-179.7	14.7	0	0	0	111.2	G21 D22 R24 S70 E97	N18-G21 VanDerWaalsContact OD1-CA 3.3Å; N18-G21 WeakPolarHBondContact OD1-CA 3.4Å; N18-G21 PolarHBondContact OD1-N 3.48Å; N18-D22 PolarHBondContact OD1-N 2.96Å; N18-D22 PolarHBondContact OD1-OD1 3.23Å; N18-R24 HydrophobicContact CB-CB 4.16Å; N18-R24 WeakPolarHBondContact CB-O 3.16Å; N18-R24 PolarHBondContact ND2-O 2.91Å; N18-S70 PolarHBondContact N-O 2.89Å; N18-E97 PolarHBondContact ND2-OE1 3.29Å
19	P	97.3	Very high	97.9	Very high	47 Å²	47	44.4 Å²	44.4	31%	0.305	25%	0.248	S	C	.	.	S	Bend	trans	-77.6	-20.8	-177	29.4	-33.5	0	0	0	113.6	V16 D17 R72	V16-P19 HydrophobicContact CB-CB 4.24Å; V16-P19 HydrophobicContact CG1-CB 4.21Å; V16-P19 WeakPolarHBondContact O-CD 3.04Å; D17-P19 WeakPolarHBondContact O-CD 3.24Å; P19-R72 VanDerWaalsContact O-CZ 3.31Å; P19-R72 PolarHBondContact O-NE 3.38Å; P19-R72 PolarHBondContact O-NH2 2.87Å
20	N	96.2	Very high	98	Very high	100 Å²	100	46.5 Å²	46.5	54%	0.535	25%	0.248	S	C	.	.	S	Bend	trans	-127.5	10.3	-162.8	-63.9	-31.5	0	0	0	114.3
21	G	96.2	Very high	98	Very high	27 Å²	27	44 Å²	44	28%	0.278	23%	0.233	S	C	.	.			trans	76.7	53.7	175.4	0	0	0	0	0	113.4	N18 G23 E97	N18-G21 VanDerWaalsContact OD1-CA 3.3Å; N18-G21 WeakPolarHBondContact OD1-CA 3.4Å; N18-G21 PolarHBondContact OD1-N 3.48Å; G21-G23 VanDerWaalsContact C-N 3.28Å; G21-E97 WeakPolarHBondContact CA-OE1 3.25Å
22	D	95.7	Very high	98.1	Very high	34 Å²	34	45.5 Å²	45.5	18%	0.182	23%	0.232	C	C	.	.			trans	-84	-1.5	176.8	73.1	17.4	0	0	0	114.3	N18 R24 R98	N18-D22 PolarHBondContact OD1-N 2.96Å; N18-D22 PolarHBondContact OD1-OD1 3.23Å; D22-R24 WeakPolarHBondContact OD1-CB 3.07Å; D22-R24 WeakPolarHBondContact OD1-CG 3.33Å; D22-R24 PolarHBondContact OD1-N 2.98Å; D22-R24 IonicContact OD1-NE 3.46Å; D22-R24 PolarHBondContact OD1-NE 2.99Å; D22-R24 VanDerWaalsContact OD1-NE 3.12Å; D22-R24 IonicContact OD2-CZ 3.79Å; D22-R24 IonicContact OD2-NE 3.85Å; D22-R24 PolarHBondContact OD2-NE 3.27Å; D22-R24 IonicContact OD2-NH2 3.18Å; D22-R24 PolarHBondContact OD2-NH2 2.88Å; D22-R98 VanDerWaalsContact O-CD 3.25Å; D22-R98 WeakPolarHBondContact O-CD 3.37Å; D22-R98 PolarHBondContact O-NH1 2.97Å
23	G	96.9	Very high	98.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	103	-14.4	178.9	0	0	0	0	0	114.7	G21 C25 F93 D94 E97	G21-G23 VanDerWaalsContact C-N 3.28Å; G23-C25 PolarHBondContact O-N 3.01Å; G23-F93 VanDerWaalsContact C-CD1 3.49Å; G23-F93 CarbonylContact O-C 3.58Å; G23-F93 VanDerWaalsContact O-CA 3.27Å; G23-F93 WeakPolarHBondContact O-CA 3.24Å; G23-F93 WeakPolarHBondContact O-CD1 3.22Å; G23-D94 PolarHBondContact O-N 2.65Å; G23-E97 VanDerWaalsContact CA-OE1 3.3Å; G23-E97 WeakPolarHBondContact CA-OE1 3.44Å; G23-E97 PolarHBondContact N-OE1 3.49Å
24	R	98.2	Very high	98.1	Very high	52 Å²	52	41.6 Å²	41.6	20%	0.196	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	119.8	178	-67.9	178	-74.5	158.1	-5	109.7	D17 N18 D22 S70 W91 Y92 F93	D17-R24 PolarHBondContact O-NH1 3.21Å; D17-R24 PolarHBondContact O-NH2 2.82Å; N18-R24 HydrophobicContact CB-CB 4.16Å; N18-R24 WeakPolarHBondContact CB-O 3.16Å; N18-R24 PolarHBondContact ND2-O 2.91Å; D22-R24 WeakPolarHBondContact OD1-CB 3.07Å; D22-R24 WeakPolarHBondContact OD1-CG 3.33Å; D22-R24 PolarHBondContact OD1-N 2.98Å; D22-R24 IonicContact OD1-NE 3.46Å; D22-R24 PolarHBondContact OD1-NE 2.99Å; D22-R24 VanDerWaalsContact OD1-NE 3.12Å; D22-R24 IonicContact OD2-CZ 3.79Å; D22-R24 IonicContact OD2-NE 3.85Å; D22-R24 PolarHBondContact OD2-NE 3.27Å; D22-R24 IonicContact OD2-NH2 3.18Å; D22-R24 PolarHBondContact OD2-NH2 2.88Å; R24-S70 WeakPolarHBondContact O-CB 3.27Å; R24-W91 HydrophobicContact CB-CB 4.12Å; R24-W91 HydrophobicContact CB-CG 4.44Å; R24-W91 HydrophobicContact CG-CB 3.69Å; R24-W91 HydrophobicContact CG-CG 4.12Å; R24-Y92 WeakPolarHBondContact CA-O 3.37Å; R24-F93 HydrophobicContact CB-CE1 4.49Å; R24-F93 HydrophobicContact CG-CD1 4.01Å; R24-F93 HydrophobicContact CG-CE1 3.46Å; R24-F93 VanDerWaalsContact CG-CE1 3.46Å; R24-F93 HydrophobicContact CG-CZ 3.99Å
25	C	98.3	Very high	98.1	Very high	31 Å²	31	43 Å²	43	21%	0.209	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-37.5	-175.7	62	0	0	0	0	113	G23 W69 S70 Y92 D94	G23-C25 PolarHBondContact O-N 3.01Å; C25-W69 WeakPolarHBondContact O-CA 3.46Å; C25-S70 PolarHBondContact O-N 3.5Å; C25-Y92 PolarHBondContact N-O 2.89Å; C25-Y92 PolarHBondContact SG-O 3.4Å; C25-Y92 VanDerWaalsContact SG-O 3.36Å; C25-D94 HydrophobicContact CB-CB 4.01Å; C25-D94 PolarHBondContact SG-N 2.65Å; C25-D94 VanDerWaalsContact SG-N 3.42Å
26	V	98.8	Very high	98.1	Very high	30 Å²	30	41.9 Å²	41.9	18%	0.182	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.9	179.8	177.7	0	0	0	0	110	F67 W69 S70 W91 Y92	V26-F67 HydrophobicContact CG1-CB 4.43Å; V26-F67 HydrophobicContact CG1-CD1 3.89Å; V26-W69 HydrophobicContact CG2-CE3 3.8Å; V26-W69 HydrophobicContact CG2-CZ3 3.62Å; V26-S70 PolarHBondContact N-OG 3.29Å; V26-W91 WeakPolarHBondContact O-CA 3.5Å; V26-Y92 PolarHBondContact O-N 3.12Å
27	T	98.8	Very high	98.1	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.7	169.5	-54.7	0	0	0	0	108.5	D17 I29 F67 F68 S70 T89 W91	D17-T27 WeakPolarHBondContact OD2-CB 3.43Å; D17-T27 VanDerWaalsContact OD2-CG2 3.27Å; D17-T27 WeakPolarHBondContact OD2-CG2 3.43Å; D17-T27 PolarHBondContact OD2-OG1 2.86Å; T27-I29 HydrophobicContact CG2-CD1 4.29Å; T27-I29 HydrophobicContact CG2-CG1 3.97Å; T27-F67 WeakPolarHBondContact O-CA 3.45Å; T27-F68 HydrophobicContact CG2-CE1 3.74Å; T27-F68 HydrophobicContact CG2-CE2 4.08Å; T27-F68 HydrophobicContact CG2-CZ 3.45Å; T27-F68 VanDerWaalsContact CG2-CZ 3.45Å; T27-F68 PolarHBondContact N-O 3.38Å; T27-F68 PolarHBondContact O-N 2.84Å; T27-F68 VanDerWaalsContact O-N 3.08Å; T27-S70 PolarHBondContact N-OG 2.9Å; T27-S70 WeakPolarHBondContact OG1-CB 3.42Å; T27-S70 PolarHBondContact OG1-OG 2.93Å; T27-T89 HydrophobicContact CG2-CG2 3.7Å; T27-W91 PolarHBondContact OG1-NE1 3.32Å
28	C	98.9	Very high	98.1	Very high	13 Å²	13	43.9 Å²	43.9	9%	0.088	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.5	177.3	177.1	0	0	0	0	108.6	L65 L66 F67 T89 V90 Y92	C28-L65 VanDerWaalsContact SG-CD1 3.57Å; C28-L66 CarbonylContact C-O 3.05Å; C28-L66 VanDerWaalsContact CA-O 3.31Å; C28-L66 WeakPolarHBondContact CA-O 3.39Å; C28-F67 HydrophobicContact CB-CD1 3.87Å; C28-F67 HydrophobicContact CB-CE1 3.72Å; C28-F67 WeakPolarHBondContact SG-CE1 3.48Å; C28-T89 CarbonylContact O-C 3.57Å; C28-T89 VanDerWaalsContact O-CA 3.29Å; C28-T89 WeakPolarHBondContact O-CA 3.33Å; C28-V90 HydrophobicContact CB-CB 4.42Å; C28-V90 PolarHBondContact N-O 3.42Å; C28-V90 PolarHBondContact O-N 2.89Å; C28-Y92 HydrophobicContact CB-CD2 4.45Å; C28-Y92 HydrophobicContact CB-CE2 4.08Å
29	I	98.9	Very high	98.1	Very high	14 Å²	14	53.3 Å²	53.3	7%	0.072	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.3	179.8	-52.6	-176.9	0	0	0	109.4	T27 Y31 L45 L65 L66 F68 A87 I88 T89	T27-I29 HydrophobicContact CG2-CD1 4.29Å; T27-I29 HydrophobicContact CG2-CG1 3.97Å; I29-Y31 HydrophobicContact CG2-CD1 4.16Å; I29-Y31 HydrophobicContact CG2-CD2 4.46Å; I29-Y31 HydrophobicContact CG2-CE1 3.68Å; I29-Y31 HydrophobicContact CG2-CE2 4.07Å; I29-L45 HydrophobicContact CD1-CD2 4.29Å; I29-L65 CarbonylContact O-C 3.56Å; I29-L65 WeakPolarHBondContact O-CA 3.35Å; I29-L66 HydrophobicContact CB-CB 4.44Å; I29-L66 PolarHBondContact N-O 3.16Å; I29-L66 PolarHBondContact O-N 3.42Å; I29-F68 HydrophobicContact CD1-CE1 3.78Å; I29-F68 HydrophobicContact CD1-CZ 4.24Å; I29-F68 HydrophobicContact CG1-CE1 4.26Å; I29-A87 HydrophobicContact CG2-CB 3.99Å; I29-I88 CarbonylContact C-O 3.58Å; I29-I88 WeakPolarHBondContact CA-O 3.47Å; I29-T89 HydrophobicContact CG1-CG2 4.04Å
30	Y	98.9	Very high	98.2	Very high	71 Å²	71	56.1 Å²	56.1	28%	0.278	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.8	171.4	-176.7	-107.2	0	0	0	110.4	L32 D63 R64 L65 A87 I88	Y30-L32 HydrophobicContact CD1-CD2 3.96Å; Y30-L32 HydrophobicContact CD1-CG 4.27Å; Y30-L32 HydrophobicContact CE1-CD2 3.52Å; Y30-L32 HydrophobicContact CE1-CG 4.27Å; Y30-D63 WeakPolarHBondContact CE2-OD1 3.27Å; Y30-D63 PolarHBondContact OH-OD1 2.81Å; Y30-R64 WeakPolarHBondContact CA-O 3.46Å; Y30-L65 HydrophobicContact CD2-CB 4.42Å; Y30-L65 HydrophobicContact CD2-CD1 4.08Å; Y30-A87 CarbonylContact O-C 3.56Å; Y30-A87 WeakPolarHBondContact O-CA 3.34Å; Y30-I88 PolarHBondContact N-O 2.82Å; Y30-I88 PolarHBondContact O-N 3.16Å
31	Y	98.9	Very high	98.3	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	145.5	-174.7	-69.3	-64.2	0	0	0	112.7	I29 L45 I58 P60 K61 D63 R64 L66 R85 A87	I29-Y31 HydrophobicContact CG2-CD1 4.16Å; I29-Y31 HydrophobicContact CG2-CD2 4.46Å; I29-Y31 HydrophobicContact CG2-CE1 3.68Å; I29-Y31 HydrophobicContact CG2-CE2 4.07Å; Y31-L45 VanDerWaalsContact OH-CD2 3.32Å; Y31-L45 WeakPolarHBondContact OH-CD2 3.39Å; Y31-I58 HydrophobicContact CE2-CG2 4.4Å; Y31-P60 HydrophobicContact CD1-CB 3.41Å; Y31-P60 VanDerWaalsContact CD1-CB 3.41Å; Y31-P60 HydrophobicContact CE1-CB 3.6Å; Y31-P60 HydrophobicContact CG-CB 3.94Å; Y31-K61 WeakPolarHBondContact CB-O 3.43Å; Y31-D63 PolarHBondContact O-N 2.86Å; Y31-R64 HydrophobicContact CD2-CB 4.08Å; Y31-R64 HydrophobicContact CD2-CG 4.04Å; Y31-R64 PolarHBondContact N-O 2.87Å; Y31-L66 HydrophobicContact CE2-CB 4.33Å; Y31-L66 HydrophobicContact CE2-CD2 4.29Å; Y31-R85 VanDerWaalsContact CE1-NH2 3.29Å; Y31-A87 HydrophobicContact CD1-CB 3.88Å; Y31-A87 HydrophobicContact CE1-CB 4Å
32	L	98.8	Very high	98.4	Very high	64 Å²	64	51.8 Å²	51.8	34%	0.335	26%	0.263	S	S	.	.			trans	-124.4	14	-167.8	-67.9	164.9	0	0	0	113.6	Y30 K34 I88	Y30-L32 HydrophobicContact CD1-CD2 3.96Å; Y30-L32 HydrophobicContact CD1-CG 4.27Å; Y30-L32 HydrophobicContact CE1-CD2 3.52Å; Y30-L32 HydrophobicContact CE1-CG 4.27Å; L32-K34 PolarHBondContact O-N 3.39Å; L32-I88 HydrophobicContact CD1-CD1 3.99Å; L32-I88 HydrophobicContact CD1-CG1 3.93Å
33	N	98.8	Very high	98.5	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.053	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-100.9	96.2	-166.4	-42.7	-72.9	0	0	0	111.2	W36 P60 F62 R85 Y86	N33-W36 HydrophobicContact CB-CB 4.12Å; N33-W36 HydrophobicContact CB-CD2 4.14Å; N33-W36 HydrophobicContact CB-CE3 3.57Å; N33-W36 HydrophobicContact CB-CG 4.42Å; N33-W36 HydrophobicContact CB-CZ3 4.31Å; N33-P60 WeakPolarHBondContact CB-O 3.36Å; N33-P60 PolarHBondContact ND2-O 2.98Å; N33-F62 WeakPolarHBondContact O-CB 3.41Å; N33-F62 PolarHBondContact O-N 3.26Å; N33-R85 WeakPolarHBondContact OD1-CA 3.3Å; N33-Y86 PolarHBondContact ND2-O 3.48Å; N33-Y86 PolarHBondContact OD1-N 3.18Å; N33-Y86 PolarHBondContact OD1-O 3.42Å
34	K	98.5	Very high	98.6	Very high	145 Å²	145	51.4 Å²	51.4	63%	0.63	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	140.8	177.9	-70.6	-172.6	177.4	-175.6	0	110.4	L32 W36 F62	L32-K34 PolarHBondContact O-N 3.39Å; K34-W36 PolarHBondContact O-N 2.76Å; K34-F62 HydrophobicContact CB-CB 4.49Å; K34-F62 HydrophobicContact CD-CD2 4.42Å; K34-F62 HydrophobicContact CD-CE2 4.43Å; K34-F62 HydrophobicContact CG-CB 4Å; K34-F62 HydrophobicContact CG-CD1 4.11Å; K34-F62 HydrophobicContact CG-CD2 3.47Å; K34-F62 VanDerWaalsContact CG-CD2 3.47Å; K34-F62 HydrophobicContact CG-CE2 3.93Å; K34-F62 HydrophobicContact CG-CG 3.58Å; K34-F62 HydrophobicContact CG-CZ 4.43Å
35	D	98.4	Very high	98.7	Very high	162 Å²	162	49 Å²	49	87%	0.866	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	32.8	174.2	-48.7	-49.4	0	0	0	113.9	D37	D35-D37 PolarHBondContact O-N 2.83Å
36	W	98.7	Very high	98.7	Very high	27 Å²	27	50.2 Å²	50.2	10%	0.102	25%	0.252	C	S	.	.			trans	-67.3	120.7	-179.3	-171.6	-84.6	0	0	0	111.4	N33 K34 G42 P60 A81 A83 R85	N33-W36 HydrophobicContact CB-CB 4.12Å; N33-W36 HydrophobicContact CB-CD2 4.14Å; N33-W36 HydrophobicContact CB-CE3 3.57Å; N33-W36 HydrophobicContact CB-CG 4.42Å; N33-W36 HydrophobicContact CB-CZ3 4.31Å; K34-W36 PolarHBondContact O-N 2.76Å; W36-G42 WeakPolarHBondContact CZ2-O 3.28Å; W36-G42 PolarHBondContact NE1-O 2.85Å; W36-P60 HydrophobicContact CD2-CG 3.88Å; W36-P60 HydrophobicContact CG-CG 3.97Å; W36-P60 HydrophobicContact CZ2-CG 4.16Å; W36-A81 HydrophobicContact CH2-CB 4.49Å; W36-A83 HydrophobicContact CH2-CB 4.1Å; W36-A83 HydrophobicContact CZ3-CB 4Å; W36-R85 HydrophobicContact CH2-CB 3.68Å; W36-R85 HydrophobicContact CH2-CG 4.22Å; W36-R85 HydrophobicContact CZ2-CB 4.5Å; W36-R85 HydrophobicContact CZ3-CB 3.97Å
37	D	98.5	Very high	98.7	Very high	74 Å²	74	49.3 Å²	49.3	40%	0.396	25%	0.246	S	C	.	.			trans	-105.7	105.7	168.9	-177.1	-2.7	0	0	0	110.1	D35 K39 V40 S41	D35-D37 PolarHBondContact O-N 2.83Å; D37-K39 PolarHBondContact O-N 3.24Å; D37-K39 WeakPolarHBondContact OD1-CB 3.5Å; D37-K39 PolarHBondContact OD1-N 2.9Å; D37-V40 PolarHBondContact O-N 2.85Å; D37-V40 WeakPolarHBondContact OD2-CG2 3.32Å; D37-S41 WeakPolarHBondContact O-CB 3.35Å; D37-S41 PolarHBondContact O-N 2.92Å
38	A	98.4	Very high	98.7	Very high	13 Å²	13	51.3 Å²	51.3	11%	0.107	26%	0.255	C	S	.	.	H	α-helix	trans	-67.4	-20	-179.7	0	0	0	0	0	114	V40 G42 I44 E59	A38-V40 VanDerWaalsContact C-N 3.28Å; A38-V40 PolarHBondContact O-N 2.97Å; A38-G42 VanDerWaalsContact O-CA 3.28Å; A38-G42 WeakPolarHBondContact O-CA 3.48Å; A38-G42 PolarHBondContact O-N 3.06Å; A38-I44 HydrophobicContact CB-CD1 3.96Å; A38-I44 HydrophobicContact CB-CG1 3.73Å; A38-E59 HydrophobicContact CB-CG 3.84Å
39	K	98.4	Very high	98.7	Very high	203 Å²	203	52.6 Å²	52.6	88%	0.883	26%	0.263	S	S	*	.	H	α-helix	trans	-71.5	-27	176.3	-63.2	176.9	-179.5	175.6	0	112	D37	D37-K39 PolarHBondContact O-N 3.24Å; D37-K39 WeakPolarHBondContact OD1-CB 3.5Å; D37-K39 PolarHBondContact OD1-N 2.9Å
40	V	98.4	Very high	98.6	Very high	107 Å²	107	58.2 Å²	58.2	65%	0.648	29%	0.289	S	S	*	.	H	α-helix	trans	-100.4	-50	179.3	179.2	0	0	0	0	110.8	D37 A38	D37-V40 PolarHBondContact O-N 2.85Å; D37-V40 WeakPolarHBondContact OD2-CG2 3.32Å; A38-V40 VanDerWaalsContact C-N 3.28Å; A38-V40 PolarHBondContact O-N 2.97Å
41	S	98.7	Very high	98.4	Very high	24 Å²	24	58.8 Å²	58.8	17%	0.168	32%	0.317	C	S	.	.	H	α-helix	trans	-92.9	-7.4	-171.6	-56.6	0	0	0	0	114.2	D37 A81 Y82	D37-S41 WeakPolarHBondContact O-CB 3.35Å; D37-S41 PolarHBondContact O-N 2.92Å; S41-A81 WeakPolarHBondContact O-CA 3.45Å; S41-Y82 PolarHBondContact O-N 3.24Å
42	G	98.8	Very high	98.2	Very high	12 Å²	12	66.1 Å²	66.1	12%	0.124	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	62.5	-132.5	-177.7	0	0	0	0	0	112.5	W36 A38 I44	W36-G42 WeakPolarHBondContact CZ2-O 3.28Å; W36-G42 PolarHBondContact NE1-O 2.85Å; A38-G42 VanDerWaalsContact O-CA 3.28Å; A38-G42 WeakPolarHBondContact O-CA 3.48Å; A38-G42 PolarHBondContact O-N 3.06Å; G42-I44 VanDerWaalsContact C-N 3.26Å; G42-I44 PolarHBondContact O-N 3.03Å
43	G	98.7	Very high	98	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.378	C	S	.	.			trans	68.3	17.9	171.3	0	0	0	0	0	115.8	Q79 P80 R85	G43-Q79 WeakPolarHBondContact CA-O 3.43Å; G43-P80 PolarHBondContact N-O 2.82Å; G43-R85 PolarHBondContact O-NE 3.27Å
44	I	98.9	Very high	97.9	Very high	25 Å²	25	75.9 Å²	75.9	13%	0.128	41%	0.412	C	S	.	.			trans	-63.1	133.4	176.7	-65.8	-179.8	0	0	0	109.7	A38 G42 D57 Q79	A38-I44 HydrophobicContact CB-CD1 3.96Å; A38-I44 HydrophobicContact CB-CG1 3.73Å; G42-I44 VanDerWaalsContact C-N 3.26Å; G42-I44 PolarHBondContact O-N 3.03Å; I44-D57 HydrophobicContact CG2-CB 3.72Å; I44-Q79 HydrophobicContact CB-CB 4.42Å; I44-Q79 HydrophobicContact CB-CG 4.38Å; I44-Q79 PolarHBondContact O-N 3.13Å
45	L	98.9	Very high	97.9	Very high	3 Å²	3	74 Å²	74	2%	0.016	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	117.3	161.2	171.5	67.4	0	0	0	107.8	I29 Y31 I47 I58 L66 F68 H76 V78	I29-L45 HydrophobicContact CD1-CD2 4.29Å; Y31-L45 VanDerWaalsContact OH-CD2 3.32Å; Y31-L45 WeakPolarHBondContact OH-CD2 3.39Å; L45-I47 HydrophobicContact CD2-CD1 4.18Å; L45-I47 HydrophobicContact CD2-CG1 4.28Å; L45-I47 HydrophobicContact CG-CG1 4.1Å; L45-I58 HydrophobicContact CB-CB 4.37Å; L45-I58 HydrophobicContact CD2-CD1 4.33Å; L45-I58 HydrophobicContact CG-CD1 4.32Å; L45-I58 PolarHBondContact N-O 3.18Å; L45-I58 WeakPolarHBondContact O-CD1 3.33Å; L45-I58 PolarHBondContact O-N 2.98Å; L45-L66 HydrophobicContact CD2-CD2 3.39Å; L45-F68 HydrophobicContact CD2-CE1 4.37Å; L45-H76 HydrophobicContact CD1-CB 4.06Å; L45-V78 HydrophobicContact CD1-CG2 4.26Å
46	R	98.9	Very high	97.9	Very high	56 Å²	56	68.3 Å²	68.3	21%	0.211	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.7	174.2	177.9	169.9	-72.4	170.3	-4	109.7	F48 F55 A56 D57 H76 E77 Q79	R46-F48 HydrophobicContact CB-CE2 4.43Å; R46-F48 HydrophobicContact CG-CD2 4.35Å; R46-F48 HydrophobicContact CG-CE1 4.05Å; R46-F48 HydrophobicContact CG-CE2 3.76Å; R46-F48 HydrophobicContact CG-CZ 3.6Å; R46-F55 HydrophobicContact CG-CB 4.16Å; R46-F55 HydrophobicContact CG-CD2 3.94Å; R46-F55 HydrophobicContact CG-CG 4.22Å; R46-A56 WeakPolarHBondContact CA-O 3.31Å; R46-D57 WeakPolarHBondContact CB-OD1 3.36Å; R46-D57 WeakPolarHBondContact CG-OD1 3.41Å; R46-D57 IonicContact CZ-OD1 2.94Å; R46-D57 IonicContact CZ-OD2 3.64Å; R46-D57 IonicContact NE-OD1 3.12Å; R46-D57 PolarHBondContact NE-OD1 2.67Å; R46-D57 IonicContact NE-OD2 3.65Å; R46-D57 IonicContact NH2-OD1 2.79Å; R46-D57 PolarHBondContact NH2-OD1 3.1Å; R46-D57 IonicContact NH2-OD2 2.67Å; R46-D57 PolarHBondContact NH2-OD2 3.38Å; R46-H76 CarbonylContact O-C 3.54Å; R46-H76 WeakPolarHBondContact O-CA 3.32Å; R46-H76 VanDerWaalsContact O-CB 3.31Å; R46-H76 WeakPolarHBondContact O-CB 3.48Å; R46-E77 HydrophobicContact CB-CG 4.09Å; R46-E77 PolarHBondContact N-O 2.76Å; R46-E77 PolarHBondContact O-N 2.9Å; R46-Q79 VanDerWaalsContact NH2-NE2 3.15Å
47	I	98.9	Very high	97.9	Very high	10 Å²	10	70.4 Å²	70.4	5%	0.051	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.1	176.7	-54.5	-179.4	0	0	0	108.7	L45 P49 F55 A56 I58 F68 N74 H76	L45-I47 HydrophobicContact CD2-CD1 4.18Å; L45-I47 HydrophobicContact CD2-CG1 4.28Å; L45-I47 HydrophobicContact CG-CG1 4.1Å; I47-P49 HydrophobicContact CG2-CG 4.39Å; I47-P49 WeakPolarHBondContact O-CD 3.33Å; I47-F55 CarbonylContact O-C 3.56Å; I47-F55 VanDerWaalsContact O-CA 3.25Å; I47-F55 WeakPolarHBondContact O-CA 3.29Å; I47-F55 VanDerWaalsContact O-CB 3.25Å; I47-F55 WeakPolarHBondContact O-CB 3.36Å; I47-A56 PolarHBondContact N-O 2.88Å; I47-A56 PolarHBondContact O-N 2.83Å; I47-I58 HydrophobicContact CB-CD1 4.4Å; I47-I58 HydrophobicContact CD1-CD1 3.57Å; I47-I58 HydrophobicContact CG1-CD1 3.68Å; I47-F68 HydrophobicContact CD1-CB 4.34Å; I47-F68 HydrophobicContact CD1-CD1 4.03Å; I47-F68 HydrophobicContact CD1-CE1 4.49Å; I47-F68 HydrophobicContact CD1-CG 4.09Å; I47-N74 HydrophobicContact CG2-CB 3.79Å; I47-H76 HydrophobicContact CB-CB 4.29Å; I47-H76 HydrophobicContact CG1-CB 3.88Å; I47-H76 HydrophobicContact CG2-CB 4.46Å
48	F	98.6	Very high	97.9	Very high	43 Å²	43	67.9 Å²	67.9	19%	0.189	38%	0.379	C	S	.	.			trans	-115.8	80.6	179.4	-57.9	-91.4	0	0	0	110.3	R14 R46 E50 F55 P75 E77	R14-F48 HydrophobicContact CG-CE2 4.42Å; R14-F48 VanDerWaalsContact NH2-CB 3.28Å; R46-F48 HydrophobicContact CB-CE2 4.43Å; R46-F48 HydrophobicContact CG-CD2 4.35Å; R46-F48 HydrophobicContact CG-CE1 4.05Å; R46-F48 HydrophobicContact CG-CE2 3.76Å; R46-F48 HydrophobicContact CG-CZ 3.6Å; F48-E50 PolarHBondContact O-N 2.75Å; F48-F55 HydrophobicContact CD1-CB 3.81Å; F48-F55 HydrophobicContact CE1-CB 4.14Å; F48-F55 HydrophobicContact CG-CB 4.45Å; F48-P75 PolarHBondContact N-O 2.67Å; F48-P75 VanDerWaalsContact O-CD 3.32Å; F48-P75 WeakPolarHBondContact O-CD 3.3Å; F48-E77 HydrophobicContact CE2-CG 4.01Å
49	P	98.3	Very high	97.9	Very high	40 Å²	40	70.1 Å²	70.1	26%	0.26	39%	0.387	S	S	.	.			trans	-56.5	131	-175.6	-24	34.1	0	0	0	112.4	I47 G51 K52 R73	I47-P49 HydrophobicContact CG2-CG 4.39Å; I47-P49 WeakPolarHBondContact O-CD 3.33Å; P49-G51 PolarHBondContact O-N 2.87Å; P49-K52 HydrophobicContact CB-CB 4.18Å; P49-K52 HydrophobicContact CB-CG 3.87Å; P49-K52 WeakPolarHBondContact O-CB 3.23Å; P49-K52 PolarHBondContact O-N 2.89Å; P49-R73 WeakPolarHBondContact CA-O 3.3Å
50	E	96.8	Very high	97.9	Very high	133 Å²	133	60.5 Å²	60.5	62%	0.621	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	137.4	-179	-171.8	176.1	-142.5	0	0	111.4	F48 K52 R73	F48-E50 PolarHBondContact O-N 2.75Å; E50-K52 PolarHBondContact O-N 2.81Å; E50-R73 PolarHBondContact N-O 2.96Å
51	G	96.1	Very high	98	Very high	83 Å²	83	59.3 Å²	59.3	86%	0.856	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	10.9	-179	0	0	0	0	0	114.8	P49	P49-G51 PolarHBondContact O-N 2.87Å
52	K	94.9	Very high	98	Very high	154 Å²	154	62.5 Å²	62.5	67%	0.67	34%	0.343	S	S	*	.			trans	-110.7	141	173.3	-58.7	-64.1	-177.3	177.2	0	110.6	P49 E50 Q54	P49-K52 HydrophobicContact CB-CB 4.18Å; P49-K52 HydrophobicContact CB-CG 3.87Å; P49-K52 WeakPolarHBondContact O-CB 3.23Å; P49-K52 PolarHBondContact O-N 2.89Å; E50-K52 PolarHBondContact O-N 2.81Å; K52-Q54 PolarHBondContact O-N 2.81Å
53	A	93.7	Very high	98	Very high	116 Å²	116	67 Å²	67	96%	0.959	36%	0.364	S	S	*	.	S	Bend	trans	-75.3	-13.8	173.8	0	0	0	0	0	112.9
54	Q	96.1	Very high	98	Very high	164 Å²	164	71.3 Å²	71.3	77%	0.766	38%	0.38	S	S	*	.			trans	-108	152.5	-176	-66.3	177	-30.4	0	0	111	K52	K52-Q54 PolarHBondContact O-N 2.81Å
55	F	98.2	Very high	98	Very high	104 Å²	104	74.6 Å²	74.6	46%	0.456	40%	0.397	S	S	.	.			trans	-107.8	163.5	167.4	59.6	-96.3	0	0	0	110.1	R46 I47 F48 D57	R46-F55 HydrophobicContact CG-CB 4.16Å; R46-F55 HydrophobicContact CG-CD2 3.94Å; R46-F55 HydrophobicContact CG-CG 4.22Å; I47-F55 CarbonylContact O-C 3.56Å; I47-F55 VanDerWaalsContact O-CA 3.25Å; I47-F55 WeakPolarHBondContact O-CA 3.29Å; I47-F55 VanDerWaalsContact O-CB 3.25Å; I47-F55 WeakPolarHBondContact O-CB 3.36Å; F48-F55 HydrophobicContact CD1-CB 3.81Å; F48-F55 HydrophobicContact CE1-CB 4.14Å; F48-F55 HydrophobicContact CG-CB 4.45Å; F55-D57 WeakPolarHBondContact CD2-OD1 3.34Å
56	A	98.6	Very high	98	Very high	44 Å²	44	75.8 Å²	75.8	36%	0.364	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.4	173.4	0	0	0	0	0	109.9	R46 I47 I58	R46-A56 WeakPolarHBondContact CA-O 3.31Å; I47-A56 PolarHBondContact N-O 2.88Å; I47-A56 PolarHBondContact O-N 2.83Å; A56-I58 HydrophobicContact CB-CD1 4.23Å
57	D	98.8	Very high	98	Very high	71 Å²	71	78.5 Å²	78.5	38%	0.38	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.8	171.9	-79.5	-7.9	0	0	0	109.8	I44 R46 F55	I44-D57 HydrophobicContact CG2-CB 3.72Å; R46-D57 WeakPolarHBondContact CB-OD1 3.36Å; R46-D57 WeakPolarHBondContact CG-OD1 3.41Å; R46-D57 IonicContact CZ-OD1 2.94Å; R46-D57 IonicContact CZ-OD2 3.64Å; R46-D57 IonicContact NE-OD1 3.12Å; R46-D57 PolarHBondContact NE-OD1 2.67Å; R46-D57 IonicContact NE-OD2 3.65Å; R46-D57 IonicContact NH2-OD1 2.79Å; R46-D57 PolarHBondContact NH2-OD1 3.1Å; R46-D57 IonicContact NH2-OD2 2.67Å; R46-D57 PolarHBondContact NH2-OD2 3.38Å; F55-D57 WeakPolarHBondContact CD2-OD1 3.34Å
58	I	98.9	Very high	98	Very high	20 Å²	20	78.9 Å²	78.9	10%	0.103	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	110	179.7	-53	97.4	0	0	0	109.2	Y31 L45 I47 A56 L66	Y31-I58 HydrophobicContact CE2-CG2 4.4Å; L45-I58 HydrophobicContact CB-CB 4.37Å; L45-I58 HydrophobicContact CD2-CD1 4.33Å; L45-I58 HydrophobicContact CG-CD1 4.32Å; L45-I58 PolarHBondContact N-O 3.18Å; L45-I58 WeakPolarHBondContact O-CD1 3.33Å; L45-I58 PolarHBondContact O-N 2.98Å; I47-I58 HydrophobicContact CB-CD1 4.4Å; I47-I58 HydrophobicContact CD1-CD1 3.57Å; I47-I58 HydrophobicContact CG1-CD1 3.68Å; A56-I58 HydrophobicContact CB-CD1 4.23Å; I58-L66 HydrophobicContact CG1-CD1 4.49Å; I58-L66 HydrophobicContact CG2-CD2 4.26Å
59	E	98.8	Very high	98	Very high	61 Å²	61	82.8 Å²	82.8	29%	0.285	43%	0.432	S	S	.	.			trans	-65	138	168.8	-64.2	-179.6	-106.1	0	0	111	A38 K61 R64	A38-E59 HydrophobicContact CB-CG 3.84Å; E59-K61 HydrophobicContact CB-CD 4.39Å; E59-K61 HydrophobicContact CB-CG 3.9Å; E59-K61 PolarHBondContact O-N 2.86Å; E59-K61 WeakPolarHBondContact OE1-CE 3.25Å; E59-K61 IonicContact OE1-NZ 2.99Å; E59-K61 PolarHBondContact OE1-NZ 3.08Å; E59-K61 WeakPolarHBondContact OE2-CE 3.34Å; E59-K61 IonicContact OE2-NZ 3.66Å; E59-R64 PolarHBondContact O-NH1 3.48Å
60	P	98.8	Very high	98	Very high	0 Å²	0	80.9 Å²	80.9	0%	0	42%	0.42	C	S	.	.			trans	-81.7	52.2	-177.7	37.5	-39.4	0	0	0	112.1	Y31 N33 W36 R85	Y31-P60 HydrophobicContact CD1-CB 3.41Å; Y31-P60 VanDerWaalsContact CD1-CB 3.41Å; Y31-P60 HydrophobicContact CE1-CB 3.6Å; Y31-P60 HydrophobicContact CG-CB 3.94Å; N33-P60 WeakPolarHBondContact CB-O 3.36Å; N33-P60 PolarHBondContact ND2-O 2.98Å; W36-P60 HydrophobicContact CD2-CG 3.88Å; W36-P60 HydrophobicContact CG-CG 3.97Å; W36-P60 HydrophobicContact CZ2-CG 4.16Å; P60-R85 HydrophobicContact CB-CG 4.39Å; P60-R85 HydrophobicContact CG-CG 4.37Å
61	K	98.9	Very high	98.1	Very high	82 Å²	82	76.6 Å²	76.6	36%	0.357	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-62.9	143.2	-174.4	-65.7	-174.6	179	179.7	0	112.2	Y31 E59 D63 R64	Y31-K61 WeakPolarHBondContact CB-O 3.43Å; E59-K61 HydrophobicContact CB-CD 4.39Å; E59-K61 HydrophobicContact CB-CG 3.9Å; E59-K61 PolarHBondContact O-N 2.86Å; E59-K61 WeakPolarHBondContact OE1-CE 3.25Å; E59-K61 IonicContact OE1-NZ 2.99Å; E59-K61 PolarHBondContact OE1-NZ 3.08Å; E59-K61 WeakPolarHBondContact OE2-CE 3.34Å; E59-K61 IonicContact OE2-NZ 3.66Å; K61-D63 PolarHBondContact O-N 2.89Å; K61-R64 HydrophobicContact CB-CB 4.33Å; K61-R64 VanDerWaalsContact O-CB 3.24Å; K61-R64 WeakPolarHBondContact O-CB 3.25Å; K61-R64 PolarHBondContact O-N 2.87Å
62	F	98.9	Very high	98.2	Very high	92 Å²	92	79.2 Å²	79.2	40%	0.404	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	139.2	171	-178.5	-104.5	0	0	0	112.4	N33 K34 R64	N33-F62 WeakPolarHBondContact O-CB 3.41Å; N33-F62 PolarHBondContact O-N 3.26Å; K34-F62 HydrophobicContact CB-CB 4.49Å; K34-F62 HydrophobicContact CD-CD2 4.42Å; K34-F62 HydrophobicContact CD-CE2 4.43Å; K34-F62 HydrophobicContact CG-CB 4Å; K34-F62 HydrophobicContact CG-CD1 4.11Å; K34-F62 HydrophobicContact CG-CD2 3.47Å; K34-F62 VanDerWaalsContact CG-CD2 3.47Å; K34-F62 HydrophobicContact CG-CE2 3.93Å; K34-F62 HydrophobicContact CG-CG 3.58Å; K34-F62 HydrophobicContact CG-CZ 4.43Å; F62-R64 PolarHBondContact O-N 2.84Å; F62-R64 VanDerWaalsContact O-N 3.1Å
63	D	98.7	Very high	98.4	Very high	105 Å²	105	76.4 Å²	76.4	56%	0.561	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	16.3	176.8	-161.8	25.6	0	0	0	114.2	Y30 Y31 K61	Y30-D63 WeakPolarHBondContact CE2-OD1 3.27Å; Y30-D63 PolarHBondContact OH-OD1 2.81Å; Y31-D63 PolarHBondContact O-N 2.86Å; K61-D63 PolarHBondContact O-N 2.89Å
64	R	98.8	Very high	98.6	Very high	91 Å²	91	71.8 Å²	71.8	34%	0.343	33%	0.33	S	S	.	.			trans	-84.2	122.8	171.5	175.7	173	-76.1	-169.3	-14	110	Y30 Y31 E59 K61 F62	Y30-R64 WeakPolarHBondContact CA-O 3.46Å; Y31-R64 HydrophobicContact CD2-CB 4.08Å; Y31-R64 HydrophobicContact CD2-CG 4.04Å; Y31-R64 PolarHBondContact N-O 2.87Å; E59-R64 PolarHBondContact O-NH1 3.48Å; K61-R64 HydrophobicContact CB-CB 4.33Å; K61-R64 VanDerWaalsContact O-CB 3.24Å; K61-R64 WeakPolarHBondContact O-CB 3.25Å; K61-R64 PolarHBondContact O-N 2.87Å; F62-R64 PolarHBondContact O-N 2.84Å; F62-R64 VanDerWaalsContact O-N 3.1Å
65	L	98.8	Very high	98.8	Very high	94 Å²	94	65.1 Å²	65.1	49%	0.492	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.2	163.7	-165.6	64.1	0	0	0	110	C28 I29 Y30 F67	C28-L65 VanDerWaalsContact SG-CD1 3.57Å; I29-L65 CarbonylContact O-C 3.56Å; I29-L65 WeakPolarHBondContact O-CA 3.35Å; Y30-L65 HydrophobicContact CD2-CB 4.42Å; Y30-L65 HydrophobicContact CD2-CD1 4.08Å; L65-F67 HydrophobicContact CD2-CE2 3.5Å; L65-F67 HydrophobicContact CD2-CZ 3.62Å; L65-F67 HydrophobicContact CG-CD2 4.45Å; L65-F67 HydrophobicContact CG-CE2 3.65Å; L65-F67 HydrophobicContact CG-CZ 3.95Å
66	L	98.9	Very high	98.8	Very high	29 Å²	29	60.5 Å²	60.5	15%	0.152	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.5	-179.2	174.9	68.8	0	0	0	110.2	C28 I29 Y31 L45 I58 F68	C28-L66 CarbonylContact C-O 3.05Å; C28-L66 VanDerWaalsContact CA-O 3.31Å; C28-L66 WeakPolarHBondContact CA-O 3.39Å; I29-L66 HydrophobicContact CB-CB 4.44Å; I29-L66 PolarHBondContact N-O 3.16Å; I29-L66 PolarHBondContact O-N 3.42Å; Y31-L66 HydrophobicContact CE2-CB 4.33Å; Y31-L66 HydrophobicContact CE2-CD2 4.29Å; L45-L66 HydrophobicContact CD2-CD2 3.39Å; I58-L66 HydrophobicContact CG1-CD1 4.49Å; I58-L66 HydrophobicContact CG2-CD2 4.26Å; L66-F68 HydrophobicContact CD2-CD1 4.06Å; L66-F68 HydrophobicContact CD2-CE1 4.16Å; L66-F68 HydrophobicContact CG-CD1 4.16Å
67	F	98.9	Very high	98.8	Very high	112 Å²	112	60.8 Å²	60.8	49%	0.491	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.4	172.2	-62.8	-88.1	0	0	0	111	V26 T27 C28 L65	V26-F67 HydrophobicContact CG1-CB 4.43Å; V26-F67 HydrophobicContact CG1-CD1 3.89Å; T27-F67 WeakPolarHBondContact O-CA 3.45Å; C28-F67 HydrophobicContact CB-CD1 3.87Å; C28-F67 HydrophobicContact CB-CE1 3.72Å; C28-F67 WeakPolarHBondContact SG-CE1 3.48Å; L65-F67 HydrophobicContact CD2-CE2 3.5Å; L65-F67 HydrophobicContact CD2-CZ 3.62Å; L65-F67 HydrophobicContact CG-CD2 4.45Å; L65-F67 HydrophobicContact CG-CE2 3.65Å; L65-F67 HydrophobicContact CG-CZ 3.95Å
68	F	98.9	Very high	98.8	Very high	18 Å²	18	58 Å²	58	8%	0.079	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	159.6	167.4	60	-86.6	0	0	0	110.9	T27 I29 L45 I47 L66 S70 N74 H76	T27-F68 HydrophobicContact CG2-CE1 3.74Å; T27-F68 HydrophobicContact CG2-CE2 4.08Å; T27-F68 HydrophobicContact CG2-CZ 3.45Å; T27-F68 VanDerWaalsContact CG2-CZ 3.45Å; T27-F68 PolarHBondContact N-O 3.38Å; T27-F68 PolarHBondContact O-N 2.84Å; T27-F68 VanDerWaalsContact O-N 3.08Å; I29-F68 HydrophobicContact CD1-CE1 3.78Å; I29-F68 HydrophobicContact CD1-CZ 4.24Å; I29-F68 HydrophobicContact CG1-CE1 4.26Å; L45-F68 HydrophobicContact CD2-CE1 4.37Å; I47-F68 HydrophobicContact CD1-CB 4.34Å; I47-F68 HydrophobicContact CD1-CD1 4.03Å; I47-F68 HydrophobicContact CD1-CE1 4.49Å; I47-F68 HydrophobicContact CD1-CG 4.09Å; L66-F68 HydrophobicContact CD2-CD1 4.06Å; L66-F68 HydrophobicContact CD2-CE1 4.16Å; L66-F68 HydrophobicContact CG-CD1 4.16Å; F68-S70 PolarHBondContact O-N 2.7Å; F68-N74 HydrophobicContact CD2-CB 3.88Å; F68-H76 AromaticContact CE2-CE1 3.52Å; F68-H76 AromaticContact CE2-ND1 3.67Å; F68-H76 AromaticContact CZ-CE1 3.77Å; F68-H76 AromaticContact CZ-NE2 3.85Å
69	W	98.9	Very high	98.8	Very high	125 Å²	125	59.1 Å²	59.1	47%	0.473	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	131.2	176.3	-55.2	112.5	0	0	0	110.6	C25 V26 D71 N74	C25-W69 WeakPolarHBondContact O-CA 3.46Å; V26-W69 HydrophobicContact CG2-CE3 3.8Å; V26-W69 HydrophobicContact CG2-CZ3 3.62Å; W69-D71 VanDerWaalsContact C-N 3.29Å; W69-D71 PolarHBondContact O-N 3.45Å; W69-N74 VanDerWaalsContact CB-ND2 3.33Å; W69-N74 WeakPolarHBondContact CB-ND2 3.31Å; W69-N74 PolarHBondContact N-ND2 2.92Å; W69-N74 VanDerWaalsContact N-ND2 3.12Å; W69-N74 WeakPolarHBondContact O-CB 3.45Å; W69-N74 PolarHBondContact O-ND2 2.88Å
70	S	98.8	Very high	98.8	Very high	1 Å²	1	59 Å²	59	1%	0.007	27%	0.269	C	S	.	.	S	Bend	trans	-74	-18.4	-176.3	-54	0	0	0	0	113.8	D17 N18 R24 C25 V26 T27 F68	D17-S70 WeakPolarHBondContact CB-O 3.3Å; D17-S70 PolarHBondContact N-O 3.36Å; N18-S70 PolarHBondContact N-O 2.89Å; R24-S70 WeakPolarHBondContact O-CB 3.27Å; C25-S70 PolarHBondContact O-N 3.5Å; V26-S70 PolarHBondContact N-OG 3.29Å; T27-S70 PolarHBondContact N-OG 2.9Å; T27-S70 WeakPolarHBondContact OG1-CB 3.42Å; T27-S70 PolarHBondContact OG1-OG 2.93Å; F68-S70 PolarHBondContact O-N 2.7Å
71	D	98.6	Very high	98.8	Very high	43 Å²	43	59 Å²	59	23%	0.23	27%	0.269	C	S	.	.	S	Bend	trans	-80.5	-169.7	-176	70	21.7	0	0	0	113.3	V16 W69 R73 N74	V16-D71 VanDerWaalsContact CG1-C 3.41Å; V16-D71 WeakPolarHBondContact CG1-O 3.42Å; W69-D71 VanDerWaalsContact C-N 3.29Å; W69-D71 PolarHBondContact O-N 3.45Å; D71-R73 VanDerWaalsContact CG-NE 3.26Å; D71-R73 PolarHBondContact O-N 3.21Å; D71-R73 WeakPolarHBondContact OD1-CB 3.33Å; D71-R73 VanDerWaalsContact OD1-CG 3.24Å; D71-R73 WeakPolarHBondContact OD1-CG 3.47Å; D71-R73 IonicContact OD1-CZ 3.48Å; D71-R73 PolarHBondContact OD1-N 3.37Å; D71-R73 IonicContact OD1-NE 3.67Å; D71-R73 PolarHBondContact OD1-NE 2.72Å; D71-R73 IonicContact OD1-NH2 2.7Å; D71-R73 IonicContact OD2-CZ 3.64Å; D71-R73 IonicContact OD2-NE 3.82Å; D71-R73 PolarHBondContact OD2-NE 3.03Å; D71-R73 IonicContact OD2-NH2 3.38Å; D71-R73 PolarHBondContact OD2-NH2 2.56Å; D71-N74 PolarHBondContact O-N 3.46Å; D71-N74 VanDerWaalsContact O-N 3.13Å
72	R	98.5	Very high	98.8	Very high	138 Å²	138	62.4 Å²	62.4	52%	0.521	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-8.7	-175.7	-64.8	179	-179.2	-100.7	-2.2	114.8	V16 P19 N74 P75	V16-R72 HydrophobicContact CG1-CG 4.21Å; P19-R72 VanDerWaalsContact O-CZ 3.31Å; P19-R72 PolarHBondContact O-NE 3.38Å; P19-R72 PolarHBondContact O-NH2 2.87Å; R72-N74 PolarHBondContact O-N 3.37Å; R72-P75 VanDerWaalsContact O-CD 3.28Å; R72-P75 WeakPolarHBondContact O-CD 3.36Å
73	R	98.7	Very high	98.8	Very high	95 Å²	95	59.7 Å²	59.7	36%	0.358	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.8	172.6	-68.5	173.9	-75.4	174.5	-5	112.8	P49 E50 D71	P49-R73 WeakPolarHBondContact CA-O 3.3Å; E50-R73 PolarHBondContact N-O 2.96Å; D71-R73 VanDerWaalsContact CG-NE 3.26Å; D71-R73 PolarHBondContact O-N 3.21Å; D71-R73 WeakPolarHBondContact OD1-CB 3.33Å; D71-R73 VanDerWaalsContact OD1-CG 3.24Å; D71-R73 WeakPolarHBondContact OD1-CG 3.47Å; D71-R73 IonicContact OD1-CZ 3.48Å; D71-R73 PolarHBondContact OD1-N 3.37Å; D71-R73 IonicContact OD1-NE 3.67Å; D71-R73 PolarHBondContact OD1-NE 2.72Å; D71-R73 IonicContact OD1-NH2 2.7Å; D71-R73 IonicContact OD2-CZ 3.64Å; D71-R73 IonicContact OD2-NE 3.82Å; D71-R73 PolarHBondContact OD2-NE 3.03Å; D71-R73 IonicContact OD2-NH2 3.38Å; D71-R73 PolarHBondContact OD2-NH2 2.56Å
74	N	98.8	Very high	98.8	Very high	19 Å²	19	57.9 Å²	57.9	10%	0.102	27%	0.268	C	S	.	.			trans	-130.9	67.8	-176.9	-61.2	-64	0	0	0	114	I47 F68 W69 D71 R72 H76	I47-N74 HydrophobicContact CG2-CB 3.79Å; F68-N74 HydrophobicContact CD2-CB 3.88Å; W69-N74 VanDerWaalsContact CB-ND2 3.33Å; W69-N74 WeakPolarHBondContact CB-ND2 3.31Å; W69-N74 PolarHBondContact N-ND2 2.92Å; W69-N74 VanDerWaalsContact N-ND2 3.12Å; W69-N74 WeakPolarHBondContact O-CB 3.45Å; W69-N74 PolarHBondContact O-ND2 2.88Å; D71-N74 PolarHBondContact O-N 3.46Å; D71-N74 VanDerWaalsContact O-N 3.13Å; R72-N74 PolarHBondContact O-N 3.37Å; N74-H76 PolarHBondContact O-N 3.34Å; N74-H76 PolarHBondContact O-ND1 2.98Å
75	P	98.7	Very high	98.8	Very high	23 Å²	23	53.9 Å²	53.9	15%	0.149	25%	0.253	C	S	.	.			trans	-55.4	133.9	162.8	-19.9	31.3	0	0	0	109.9	H15 V16 F48 R72	H15-P75 CarbonylContact O-C 3.54Å; H15-P75 VanDerWaalsContact O-CA 3.28Å; H15-P75 WeakPolarHBondContact O-CA 3.15Å; V16-P75 HydrophobicContact CG2-CB 4.12Å; V16-P75 HydrophobicContact CG2-CG 4.01Å; F48-P75 PolarHBondContact N-O 2.67Å; F48-P75 VanDerWaalsContact O-CD 3.32Å; F48-P75 WeakPolarHBondContact O-CD 3.3Å; R72-P75 VanDerWaalsContact O-CD 3.28Å; R72-P75 WeakPolarHBondContact O-CD 3.36Å
76	H	98.9	Very high	98.8	Very high	7 Å²	7	54.6 Å²	54.6	3%	0.032	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	157.9	-175.4	62	-83.9	0	0	0	112.6	R14 H15 D17 L45 R46 I47 F68 N74	R14-H76 CarbonylContact C-O 3.55Å; R14-H76 VanDerWaalsContact CA-O 3.3Å; R14-H76 WeakPolarHBondContact CA-O 3.4Å; H15-H76 AromaticContact CE1-CD2 3.65Å; H15-H76 AromaticContact CE1-NE2 3.37Å; H15-H76 PolarHBondContact CE1-NE2 3.12Å; H15-H76 PolarHBondContact N-O 2.79Å; H15-H76 PolarHBondContact ND1-O 2.99Å; H15-H76 AromaticContact NE2-CE1 3.83Å; H15-H76 AromaticContact NE2-NE2 3.34Å; H15-H76 PolarHBondContact NE2-NE2 3.4Å; H15-H76 PolarHBondContact O-N 2.94Å; D17-H76 IonicContact OD1-CE1 2.76Å; D17-H76 IonicContact OD1-NE2 2.65Å; D17-H76 IonicContact OD2-CE1 3.63Å; L45-H76 HydrophobicContact CD1-CB 4.06Å; R46-H76 CarbonylContact O-C 3.54Å; R46-H76 WeakPolarHBondContact O-CA 3.32Å; R46-H76 VanDerWaalsContact O-CB 3.31Å; R46-H76 WeakPolarHBondContact O-CB 3.48Å; I47-H76 HydrophobicContact CB-CB 4.29Å; I47-H76 HydrophobicContact CG1-CB 3.88Å; I47-H76 HydrophobicContact CG2-CB 4.46Å; F68-H76 AromaticContact CE2-CE1 3.52Å; F68-H76 AromaticContact CE2-ND1 3.67Å; F68-H76 AromaticContact CZ-CE1 3.77Å; F68-H76 AromaticContact CZ-NE2 3.85Å; N74-H76 PolarHBondContact O-N 3.34Å; N74-H76 PolarHBondContact O-ND1 2.98Å
77	E	98.8	Very high	98.8	Very high	50 Å²	50	53.4 Å²	53.4	23%	0.234	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.1	178.8	69.3	-167.9	-171.8	0	0	110.5	R14 R46 F48	R14-E77 HydrophobicContact CB-CB 4.03Å; R46-E77 HydrophobicContact CB-CG 4.09Å; R46-E77 PolarHBondContact N-O 2.76Å; R46-E77 PolarHBondContact O-N 2.9Å; F48-E77 HydrophobicContact CE2-CG 4.01Å
78	V	98.8	Very high	98.8	Very high	14 Å²	14	51 Å²	51	9%	0.085	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	111.9	168.4	-179.3	0	0	0	0	107.1	G11 Y12 L45	G11-V78 WeakPolarHBondContact CA-O 3.41Å; Y12-V78 PolarHBondContact N-O 3.39Å; Y12-V78 PolarHBondContact O-N 3.39Å; L45-V78 HydrophobicContact CD1-CG2 4.26Å
79	Q	98.8	Very high	98.7	Very high	42 Å²	42	50.6 Å²	50.6	20%	0.196	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	156.4	175.8	-67.6	-177.6	12.2	0	0	111	G43 I44 R46 A81	G43-Q79 WeakPolarHBondContact CA-O 3.43Å; I44-Q79 HydrophobicContact CB-CB 4.42Å; I44-Q79 HydrophobicContact CB-CG 4.38Å; I44-Q79 PolarHBondContact O-N 3.13Å; R46-Q79 VanDerWaalsContact NH2-NE2 3.15Å; Q79-A81 PolarHBondContact O-N 2.9Å
80	P	98.8	Very high	98.7	Very high	60 Å²	60	48 Å²	48	39%	0.39	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.3	128	177.1	-30	37.1	0	0	0	112.6	G43 Y82	G43-P80 PolarHBondContact N-O 2.82Å; P80-Y82 HydrophobicContact CB-CE2 3.97Å
81	A	98.7	Very high	98.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.7	172.9	0	0	0	0	0	109.9	G7 N8 G9 T10 W36 S41 Q79 R85	G7-A81 CarbonylContact C-O 3.53Å; G7-A81 VanDerWaalsContact CA-O 3.23Å; G7-A81 WeakPolarHBondContact CA-O 3.42Å; N8-A81 PolarHBondContact N-O 3.1Å; G9-A81 WeakPolarHBondContact CA-O 3.04Å; G9-A81 PolarHBondContact N-O 2.89Å; T10-A81 PolarHBondContact O-N 2.93Å; W36-A81 HydrophobicContact CH2-CB 4.49Å; S41-A81 WeakPolarHBondContact O-CA 3.45Å; Q79-A81 PolarHBondContact O-N 2.9Å; A81-R85 HydrophobicContact CB-CB 4.46Å
82	Y	98.6	Very high	98.7	Very high	152 Å²	152	53.4 Å²	53.4	60%	0.596	25%	0.251	S	S	*	.	S	Bend	trans	-113.4	2.3	179.2	-61.7	-80.7	0	0	0	113.1	S41 P80	S41-Y82 PolarHBondContact O-N 3.24Å; P80-Y82 HydrophobicContact CB-CE2 3.97Å
83	A	98.6	Very high	98.6	Very high	35 Å²	35	49.5 Å²	49.5	29%	0.289	24%	0.238	S	C	.	.	S	Bend	trans	-129.1	164.1	166.8	0	0	0	0	0	109.5	W36 R85	W36-A83 HydrophobicContact CH2-CB 4.1Å; W36-A83 HydrophobicContact CZ3-CB 4Å; A83-R85 PolarHBondContact O-N 2.8Å
84	T	98.8	Very high	98.6	Very high	67 Å²	67	47.8 Å²	47.8	41%	0.411	24%	0.236	S	C	.	.			trans	-64.1	120.5	177.2	-53.8	0	0	0	0	110.7	Y5 P6 Y86	Y5-T84 CarbonylContact O-C 3.54Å; Y5-T84 WeakPolarHBondContact O-CA 3.49Å; P6-T84 PolarHBondContact O-OG1 2.92Å; T84-Y86 HydrophobicContact CG2-CD2 4.16Å; T84-Y86 HydrophobicContact CG2-CE1 4.4Å; T84-Y86 HydrophobicContact CG2-CE2 3.47Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.47Å
85	R	98.8	Very high	98.4	Very high	7 Å²	7	49.6 Å²	49.6	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.5	-176.8	177.5	-171	-178.6	-81.4	5.9	110.6	Y5 Y31 N33 W36 G43 P60 A81 A83	Y5-R85 PolarHBondContact N-O 3.29Å; Y5-R85 PolarHBondContact O-N 3.32Å; Y31-R85 VanDerWaalsContact CE1-NH2 3.29Å; N33-R85 WeakPolarHBondContact OD1-CA 3.3Å; W36-R85 HydrophobicContact CH2-CB 3.68Å; W36-R85 HydrophobicContact CH2-CG 4.22Å; W36-R85 HydrophobicContact CZ2-CB 4.5Å; W36-R85 HydrophobicContact CZ3-CB 3.97Å; G43-R85 PolarHBondContact O-NE 3.27Å; P60-R85 HydrophobicContact CB-CG 4.39Å; P60-R85 HydrophobicContact CG-CG 4.37Å; A81-R85 HydrophobicContact CB-CB 4.46Å; A83-R85 PolarHBondContact O-N 2.8Å
86	Y	98.9	Very high	98.4	Very high	109 Å²	109	53.6 Å²	53.6	43%	0.427	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	141.3	175.3	-65.9	-74	0	0	0	112	A3 C4 N33 T84	A3-Y86 WeakPolarHBondContact O-CA 3.33Å; C4-Y86 HydrophobicContact CB-CD1 3.88Å; C4-Y86 HydrophobicContact CB-CE1 3.61Å; C4-Y86 WeakPolarHBondContact SG-CE1 3.39Å; N33-Y86 PolarHBondContact ND2-O 3.48Å; N33-Y86 PolarHBondContact OD1-N 3.18Å; N33-Y86 PolarHBondContact OD1-O 3.42Å; T84-Y86 HydrophobicContact CG2-CD2 4.16Å; T84-Y86 HydrophobicContact CG2-CE1 4.4Å; T84-Y86 HydrophobicContact CG2-CE2 3.47Å; T84-Y86 VanDerWaalsContact CG2-CE2 3.47Å
87	A	98.8	Very high	98.3	Very high	4 Å²	4	55.4 Å²	55.4	3%	0.033	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	150.9	171.6	0	0	0	0	0	110.8	A3 I29 Y30 Y31	A3-A87 PolarHBondContact N-O 2.64Å; A3-A87 PolarHBondContact O-N 2.91Å; A3-A87 VanDerWaalsContact O-N 3.16Å; I29-A87 HydrophobicContact CG2-CB 3.99Å; Y30-A87 CarbonylContact O-C 3.56Å; Y30-A87 WeakPolarHBondContact O-CA 3.34Å; Y31-A87 HydrophobicContact CD1-CB 3.88Å; Y31-A87 HydrophobicContact CE1-CB 4Å
88	I	98.8	Very high	98.1	Very high	61 Å²	61	54 Å²	54	31%	0.313	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.7	171.7	-55.5	176.6	0	0	0	107.9	M1 V2 I29 Y30 L32	M1-I88 CarbonylContact O-C 3.59Å; M1-I88 WeakPolarHBondContact O-CA 3.37Å; V2-I88 HydrophobicContact CG1-CG1 4.46Å; V2-I88 HydrophobicContact CG2-CG1 4.29Å; I29-I88 CarbonylContact C-O 3.58Å; I29-I88 WeakPolarHBondContact CA-O 3.47Å; Y30-I88 PolarHBondContact N-O 2.82Å; Y30-I88 PolarHBondContact O-N 3.16Å; L32-I88 HydrophobicContact CD1-CD1 3.99Å; L32-I88 HydrophobicContact CD1-CG1 3.93Å
89	T	98.7	Very high	97.8	Very high	11 Å²	11	56 Å²	56	7%	0.067	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.7	178	-52.3	0	0	0	0	111.3	M1 T27 C28 I29 W91	M1-T89 PolarHBondContact N-O 3.1Å; M1-T89 PolarHBondContact O-N 3.01Å; T27-T89 HydrophobicContact CG2-CG2 3.7Å; C28-T89 CarbonylContact O-C 3.57Å; C28-T89 VanDerWaalsContact O-CA 3.29Å; C28-T89 WeakPolarHBondContact O-CA 3.33Å; I29-T89 HydrophobicContact CG1-CG2 4.04Å; T89-W91 HydrophobicContact CG2-CD2 4.03Å; T89-W91 HydrophobicContact CG2-CE3 4.23Å; T89-W91 HydrophobicContact CG2-CH2 3.69Å; T89-W91 HydrophobicContact CG2-CZ2 3.44Å; T89-W91 VanDerWaalsContact CG2-CZ2 3.44Å; T89-W91 HydrophobicContact CG2-CZ3 4.07Å
90	V	98.3	Very high	97.6	Very high	71 Å²	71	61.4 Å²	61.4	43%	0.43	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.6	169	177.7	0	0	0	0	108.2	C28 Y92	C28-V90 HydrophobicContact CB-CB 4.42Å; C28-V90 PolarHBondContact N-O 3.42Å; C28-V90 PolarHBondContact O-N 2.89Å; V90-Y92 HydrophobicContact CG1-CE2 4.35Å
91	W	98.6	Very high	97.3	Very high	59 Å²	59	58.7 Å²	58.7	22%	0.223	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.7	169.7	-63.2	-90.3	0	0	0	109.6	M1 D17 R24 V26 T27 T89	M1-W91 HydrophobicContact CB-CH2 4.17Å; M1-W91 HydrophobicContact CB-CZ3 3.94Å; M1-W91 HydrophobicContact CE-CH2 3.89Å; M1-W91 HydrophobicContact SD-CH2 3.94Å; D17-W91 PolarHBondContact OD2-NE1 2.97Å; R24-W91 HydrophobicContact CB-CB 4.12Å; R24-W91 HydrophobicContact CB-CG 4.44Å; R24-W91 HydrophobicContact CG-CB 3.69Å; R24-W91 HydrophobicContact CG-CG 4.12Å; V26-W91 WeakPolarHBondContact O-CA 3.5Å; T27-W91 PolarHBondContact OG1-NE1 3.32Å; T89-W91 HydrophobicContact CG2-CD2 4.03Å; T89-W91 HydrophobicContact CG2-CE3 4.23Å; T89-W91 HydrophobicContact CG2-CH2 3.69Å; T89-W91 HydrophobicContact CG2-CZ2 3.44Å; T89-W91 VanDerWaalsContact CG2-CZ2 3.44Å; T89-W91 HydrophobicContact CG2-CZ3 4.07Å
92	Y	98.2	Very high	96.7	Very high	97 Å²	97	63.8 Å²	63.8	38%	0.38	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	144.1	170	-70.6	-93.6	0	0	0	109.6	R24 C25 V26 C28 V90 L116	R24-Y92 WeakPolarHBondContact CA-O 3.37Å; C25-Y92 PolarHBondContact N-O 2.89Å; C25-Y92 PolarHBondContact SG-O 3.4Å; C25-Y92 VanDerWaalsContact SG-O 3.36Å; V26-Y92 PolarHBondContact O-N 3.12Å; C28-Y92 HydrophobicContact CB-CD2 4.45Å; C28-Y92 HydrophobicContact CB-CE2 4.08Å; V90-Y92 HydrophobicContact CG1-CE2 4.35Å; Y92-L116 HydrophobicContact CD1-CD2 4.11Å; Y92-L116 HydrophobicContact CE1-CD1 4.46Å; Y92-L116 HydrophobicContact CE1-CD2 3.52Å
93	F	97.6	Very high	96.2	Very high	56 Å²	56	61.5 Å²	61.5	25%	0.246	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.9	179.4	-72.2	-74.4	0	0	0	111	G23 R24 R98 R113	G23-F93 VanDerWaalsContact C-CD1 3.49Å; G23-F93 CarbonylContact O-C 3.58Å; G23-F93 VanDerWaalsContact O-CA 3.27Å; G23-F93 WeakPolarHBondContact O-CA 3.24Å; G23-F93 WeakPolarHBondContact O-CD1 3.22Å; R24-F93 HydrophobicContact CB-CE1 4.49Å; R24-F93 HydrophobicContact CG-CD1 4.01Å; R24-F93 HydrophobicContact CG-CE1 3.46Å; R24-F93 VanDerWaalsContact CG-CE1 3.46Å; R24-F93 HydrophobicContact CG-CZ 3.99Å; F93-R98 HydrophobicContact CB-CB 4.36Å; F93-R98 HydrophobicContact CB-CG 4.45Å; F93-R98 HydrophobicContact CD1-CB 4.33Å; F93-R98 HydrophobicContact CD1-CG 4.04Å; F93-R98 HydrophobicContact CG-CG 4.34Å; F93-R113 HydrophobicContact CD2-CB 4.25Å; F93-R113 HydrophobicContact CD2-CG 4.01Å; F93-R113 HydrophobicContact CE2-CB 4.43Å
94	D	98	Very high	95.4	Very high	60 Å²	60	66.4 Å²	66.4	32%	0.321	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-72.4	137.4	160	174.9	-105.3	0	0	0	109.6	G23 C25 D96 E97 R98	G23-D94 PolarHBondContact O-N 2.65Å; C25-D94 HydrophobicContact CB-CB 4.01Å; C25-D94 PolarHBondContact SG-N 2.65Å; C25-D94 VanDerWaalsContact SG-N 3.42Å; D94-D96 PolarHBondContact OD1-N 3.33Å; D94-D96 VanDerWaalsContact OD1-N 3.16Å; D94-E97 HydrophobicContact CB-CB 4.18Å; D94-E97 WeakPolarHBondContact OD1-CB 3.28Å; D94-E97 PolarHBondContact OD1-N 2.78Å; D94-R98 WeakPolarHBondContact O-CB 3.46Å; D94-R98 PolarHBondContact O-N 3.32Å; D94-R98 VanDerWaalsContact O-N 3.1Å
95	A	95.3	Very high	94.3	Very high	56 Å²	56	67.8 Å²	67.8	46%	0.463	33%	0.33	S	S	.	.	H	α-helix	trans	-67.5	-46.2	-173.5	0	0	0	0	0	112.1	A99	A95-A99 WeakPolarHBondContact O-CB 3.28Å; A95-A99 PolarHBondContact O-N 2.79Å
96	D	97.2	Very high	92.7	Very high	107 Å²	107	74.2 Å²	74.2	57%	0.572	36%	0.364	S	S	*	.	H	α-helix	trans	-74.8	-45.6	-173	-68.1	-24.8	0	0	0	111.4	D94 R98 A99 R100	D94-D96 PolarHBondContact OD1-N 3.33Å; D94-D96 VanDerWaalsContact OD1-N 3.16Å; D96-R98 VanDerWaalsContact C-N 3.32Å; D96-R98 PolarHBondContact O-N 3.2Å; D96-A99 PolarHBondContact O-N 2.93Å; D96-R100 WeakPolarHBondContact O-CG 3.41Å; D96-R100 PolarHBondContact O-N 3.44Å
97	E	96.9	Very high	90.5	Very high	45 Å²	45	76 Å²	76	21%	0.21	39%	0.387	C	S	.	.	H	α-helix	trans	-62.8	-42.2	176.2	-167.7	-172.8	129.2	0	0	110.8	N18 G21 G23 D94 A99 R100 A101	N18-E97 PolarHBondContact ND2-OE1 3.29Å; G21-E97 WeakPolarHBondContact CA-OE1 3.25Å; G23-E97 VanDerWaalsContact CA-OE1 3.3Å; G23-E97 WeakPolarHBondContact CA-OE1 3.44Å; G23-E97 PolarHBondContact N-OE1 3.49Å; D94-E97 HydrophobicContact CB-CB 4.18Å; D94-E97 WeakPolarHBondContact OD1-CB 3.28Å; D94-E97 PolarHBondContact OD1-N 2.78Å; E97-A99 VanDerWaalsContact C-N 3.32Å; E97-A99 PolarHBondContact O-N 3.09Å; E97-R100 PolarHBondContact O-N 2.79Å; E97-A101 WeakPolarHBondContact O-CB 3.1Å; E97-A101 PolarHBondContact O-N 2.78Å
98	R	94.9	Very high	88.3	Confident	22 Å²	22	78.1 Å²	78.1	8%	0.083	41%	0.409	C	S	.	.	H	α-helix	trans	-65.4	-36	176.9	-173	59.1	-177.5	153.9	11.8	112.2	D22 F93 D94 D96 A101 K102 G111	D22-R98 VanDerWaalsContact O-CD 3.25Å; D22-R98 WeakPolarHBondContact O-CD 3.37Å; D22-R98 PolarHBondContact O-NH1 2.97Å; F93-R98 HydrophobicContact CB-CB 4.36Å; F93-R98 HydrophobicContact CB-CG 4.45Å; F93-R98 HydrophobicContact CD1-CB 4.33Å; F93-R98 HydrophobicContact CD1-CG 4.04Å; F93-R98 HydrophobicContact CG-CG 4.34Å; D94-R98 WeakPolarHBondContact O-CB 3.46Å; D94-R98 PolarHBondContact O-N 3.32Å; D94-R98 VanDerWaalsContact O-N 3.1Å; D96-R98 VanDerWaalsContact C-N 3.32Å; D96-R98 PolarHBondContact O-N 3.2Å; R98-A101 PolarHBondContact O-N 2.91Å; R98-K102 WeakPolarHBondContact O-CG 3.48Å; R98-K102 PolarHBondContact O-N 3.27Å; R98-K102 VanDerWaalsContact O-N 3.12Å; R98-G111 PolarHBondContact NH2-O 2.92Å
99	A	92.8	Very high	85.9	Confident	55 Å²	55	85 Å²	85	46%	0.455	44%	0.439	S	S	.	.	H	α-helix	trans	-62.5	-47.5	174.6	0	0	0	0	0	111.3	A95 D96 E97 A101 K102	A95-A99 WeakPolarHBondContact O-CB 3.28Å; A95-A99 PolarHBondContact O-N 2.79Å; D96-A99 PolarHBondContact O-N 2.93Å; E97-A99 VanDerWaalsContact C-N 3.32Å; E97-A99 PolarHBondContact O-N 3.09Å; A99-A101 PolarHBondContact O-N 3.12Å; A99-K102 PolarHBondContact O-N 3.21Å
100	R	94.2	Very high	83.8	Confident	156 Å²	156	93.2 Å²	93.2	59%	0.589	47%	0.474	S	S	*	.	H	α-helix	trans	-61.5	-41.7	175.1	-67.7	-172.9	-64.1	-88.8	0.8	112.3	D96 E97 K102 V103 K104	D96-R100 WeakPolarHBondContact O-CG 3.41Å; D96-R100 PolarHBondContact O-N 3.44Å; E97-R100 PolarHBondContact O-N 2.79Å; R100-K102 VanDerWaalsContact C-N 3.35Å; R100-K102 PolarHBondContact O-N 3.03Å; R100-V103 PolarHBondContact O-N 3.28Å; R100-K104 PolarHBondContact O-N 3.41Å
101	A	92.1	Very high	81.9	Confident	2 Å²	2	91.6 Å²	91.6	2%	0.017	47%	0.472	C	S	.	.	H	α-helix	trans	-61.1	-40.6	179.1	0	0	0	0	0	112.4	E97 R98 A99 V103 K104 Y105	E97-A101 WeakPolarHBondContact O-CB 3.1Å; E97-A101 PolarHBondContact O-N 2.78Å; R98-A101 PolarHBondContact O-N 2.91Å; A99-A101 PolarHBondContact O-N 3.12Å; A101-V103 VanDerWaalsContact C-N 3.26Å; A101-V103 PolarHBondContact O-N 3.26Å; A101-K104 PolarHBondContact O-N 3.48Å; A101-K104 VanDerWaalsContact O-N 3.1Å; A101-Y105 HydrophobicContact CB-CD2 4.14Å; A101-Y105 HydrophobicContact CB-CE2 4.31Å; A101-Y105 WeakPolarHBondContact O-CD2 3.3Å; A101-Y105 PolarHBondContact O-N 2.8Å
102	K	87.9	Confident	80.7	Confident	108 Å²	108	94.2 Å²	94.2	47%	0.47	49%	0.494	S	S	.	.	H	α-helix	trans	-60.1	-34.3	177.5	-75	174.8	178.3	-178.3	0	113.2	R98 A99 R100	R98-K102 WeakPolarHBondContact O-CG 3.48Å; R98-K102 PolarHBondContact O-N 3.27Å; R98-K102 VanDerWaalsContact O-N 3.12Å; A99-K102 PolarHBondContact O-N 3.21Å; R100-K102 VanDerWaalsContact C-N 3.35Å; R100-K102 PolarHBondContact O-N 3.03Å
103	V	87.1	Confident	79.8	Confident	104 Å²	104	96.2 Å²	96.2	63%	0.63	50%	0.501	S	S	*	.	H	α-helix	trans	-72.6	-36.4	176	-178.7	0	0	0	0	111.1	R100 A101 L106	R100-V103 PolarHBondContact O-N 3.28Å; A101-V103 VanDerWaalsContact C-N 3.26Å; A101-V103 PolarHBondContact O-N 3.26Å; V103-L106 WeakPolarHBondContact O-CD1 3.14Å; V103-L106 VanDerWaalsContact O-CG 3.23Å; V103-L106 WeakPolarHBondContact O-CG 3.16Å
104	K	81.8	Confident	79.1	Confident	138 Å²	138	99.1 Å²	99.1	60%	0.6	52%	0.523	S	S	*	.	H	α-helix	trans	-74.1	-35.6	-179	-172.6	179.3	176.3	-172.7	0	113.1	R100 A101	R100-K104 PolarHBondContact O-N 3.41Å; A101-K104 PolarHBondContact O-N 3.48Å; A101-K104 VanDerWaalsContact O-N 3.1Å
105	Y	76.8	Confident	78.6	Confident	96 Å²	96	103.5 Å²	103.5	38%	0.376	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	40.3	-171.3	-61	-69.4	0	0	0	113.4	A101 T107	A101-Y105 HydrophobicContact CB-CD2 4.14Å; A101-Y105 HydrophobicContact CB-CE2 4.31Å; A101-Y105 WeakPolarHBondContact O-CD2 3.3Å; A101-Y105 PolarHBondContact O-N 2.8Å; Y105-T107 PolarHBondContact O-N 2.86Å
106	L	64	Low	78.1	Confident	141 Å²	141	106.8 Å²	106.8	74%	0.738	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	-11.3	-172.1	-75.6	159.3	0	0	0	116.2	V103	V103-L106 WeakPolarHBondContact O-CD1 3.14Å; V103-L106 VanDerWaalsContact O-CG 3.23Å; V103-L106 WeakPolarHBondContact O-CG 3.16Å
107	T	53.9	Low	77.5	Confident	147 Å²	147	109.4 Å²	109.4	90%	0.902	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133	10.7	-168.4	52.4	0	0	0	0	117	Y105	Y105-T107 PolarHBondContact O-N 2.86Å
108	G	51.7	Low	76.9	Confident	48 Å²	48	115 Å²	115	50%	0.495	59%	0.589	S	S	.	*	S	Bend	trans	-124.8	161.5	179.7	0	0	0	0	0	114.1	K110	G108-K110 PolarHBondContact O-N 2.93Å; G108-K110 VanDerWaalsContact O-N 3.09Å
109	E	48.2	Very low	76.5	Confident	205 Å²	205	120.1 Å²	120.1	96%	0.958	62%	0.624	S	S	*	*			trans	-38.4	115.1	-177.5	-79.7	-171.6	156.3	0	0	112.3	G111	E109-G111 PolarHBondContact O-N 2.8Å
110	K	54	Low	76	Confident	185 Å²	185	124.6 Å²	124.6	80%	0.804	64%	0.641	S	S	*	*			trans	-68.5	117.9	-170.7	-67.3	176.5	-180	174.6	0	109.2	G108 V112	G108-K110 PolarHBondContact O-N 2.93Å; G108-K110 VanDerWaalsContact O-N 3.09Å; K110-V112 WeakPolarHBondContact O-CG2 3.23Å; K110-V112 PolarHBondContact O-N 2.97Å
111	G	58.5	Low	75.1	Confident	37 Å²	37	122.8 Å²	122.8	38%	0.381	65%	0.652	S	S	.	*			trans	-53.9	106.8	157	0	0	0	0	0	109.4	R98 E109 R113	R98-G111 PolarHBondContact NH2-O 2.92Å; E109-G111 PolarHBondContact O-N 2.8Å; G111-R113 PolarHBondContact O-N 2.86Å
112	V	74.9	Confident	73.8	Confident	114 Å²	114	128.6 Å²	128.6	69%	0.691	69%	0.687	S	S	*	*			trans	-78.1	122.7	-176.1	-177.8	0	0	0	0	108.5	K110 V114	K110-V112 WeakPolarHBondContact O-CG2 3.23Å; K110-V112 PolarHBondContact O-N 2.97Å; V112-V114 HydrophobicContact CG1-CG2 4.19Å
113	R	78.2	Confident	72.3	Confident	138 Å²	138	127.7 Å²	127.7	52%	0.521	69%	0.694	S	S	.	*			trans	-92.3	126.2	169.5	-173.1	179.7	80.6	169.7	6	108.2	F93 G111	F93-R113 HydrophobicContact CD2-CB 4.25Å; F93-R113 HydrophobicContact CD2-CG 4.01Å; F93-R113 HydrophobicContact CE2-CB 4.43Å; G111-R113 PolarHBondContact O-N 2.86Å
114	V	83.5	Confident	70.8	Confident	118 Å²	118	131.7 Å²	131.7	72%	0.715	70%	0.703	S	S	*	*			trans	-110.7	149.9	171.2	-172.8	0	0	0	0	108.1	V112	V112-V114 HydrophobicContact CG1-CG2 4.19Å
115	E	86.3	Confident	69.3	Low	151 Å²	151	132 Å²	132	71%	0.706	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-68.5	155.5	173.4	-65.4	-169.4	172.9	0	0	111.1
116	L	85.1	Confident	68	Low	126 Å²	126	137 Å²	137	66%	0.66	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-67.7	139.8	172.1	-58.7	-180	0	0	0	109.5	Y92 K118	Y92-L116 HydrophobicContact CD1-CD2 4.11Å; Y92-L116 HydrophobicContact CE1-CD1 4.46Å; Y92-L116 HydrophobicContact CE1-CD2 3.52Å; L116-K118 PolarHBondContact O-N 2.95Å
117	N	84.8	Confident	68.3	Low	161 Å²	161	136.9 Å²	136.9	86%	0.861	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-58.2	129.3	173.4	-67.2	-15.2	0	0	0	109.3
118	K	85.3	Confident	69	Low	164 Å²	164	136.3 Å²	136.3	71%	0.713	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-79.7	153.6	169.8	-65.5	179.8	-176.4	174.3	0	109	L116 N120	L116-K118 PolarHBondContact O-N 2.95Å; K118-N120 PolarHBondContact O-N 3.3Å
119	P	86.1	Confident	70	Confident	128 Å²	128	141.2 Å²	141.2	83%	0.831	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-53.6	132.3	171	-21.4	31.5	0	0	0	109.5	S121	P119-S121 PolarHBondContact O-N 3.22Å
120	N	82.8	Confident	71.2	Confident	149 Å²	149	137.5 Å²	137.5	80%	0.797	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-61.2	134.3	166.3	-71.2	-18	0	0	0	107.3	K118 V122	K118-N120 PolarHBondContact O-N 3.3Å; N120-V122 PolarHBondContact O-N 3.42Å
121	S	74.2	Confident	72.3	Confident	118 Å²	118	134.5 Å²	134.5	83%	0.825	74%	0.743	S	S	*	*			trans	-57.4	106	169.7	54.9	0	0	0	0	107.4	P119 S123	P119-S121 PolarHBondContact O-N 3.22Å; S121-S123 PolarHBondContact O-N 3.36Å; S121-S123 VanDerWaalsContact O-N 3.1Å
122	V	64.3	Low	73.2	Confident	125 Å²	125	141 Å²	141	76%	0.758	77%	0.767	S	S	*	*			trans	-66.6	109.9	171.2	-177.5	0	0	0	0	105.8	N120 K124	N120-V122 PolarHBondContact O-N 3.42Å; V122-K124 PolarHBondContact O-N 2.85Å; V122-K124 VanDerWaalsContact O-N 3.07Å
123	S	57.4	Low	73.1	Confident	88 Å²	88	142.9 Å²	142.9	62%	0.615	77%	0.773	S	S	*	*			trans	-60.9	112.6	159.5	49.2	0	0	0	0	105.7	S121 D125	S121-S123 PolarHBondContact O-N 3.36Å; S121-S123 VanDerWaalsContact O-N 3.1Å; S123-D125 PolarHBondContact O-N 3.47Å; S123-D125 PolarHBondContact OG-OD2 3.1Å
124	K	54.6	Low	72.7	Confident	188 Å²	188	143.3 Å²	143.3	82%	0.817	79%	0.792	S	S	*	*			trans	-73.1	75.8	169.2	-74.7	-175.6	175.7	-177.7	0	107.2	V122 V126	V122-K124 PolarHBondContact O-N 2.85Å; V122-K124 VanDerWaalsContact O-N 3.07Å; K124-V126 VanDerWaalsContact C-N 3.32Å; K124-V126 PolarHBondContact O-N 3.21Å
125	D	51.8	Low	71.8	Confident	145 Å²	145	145.4 Å²	145.4	78%	0.775	80%	0.799	S	S	*	*			trans	-84.8	90.9	160.8	-62.1	-42.7	0	0	0	105.8	S123	S123-D125 PolarHBondContact O-N 3.47Å; S123-D125 PolarHBondContact OG-OD2 3.1Å
126	V	49.4	Very low	70.5	Confident	202 Å²	202	144.9 Å²	144.9	100%	1.224	81%	0.807	S	S	*	*			trans	-91	0	164.4	176.7	0	0	0	0	107.5	K124	K124-V126 VanDerWaalsContact C-N 3.32Å; K124-V126 PolarHBondContact O-N 3.21Å

Retrieved 126 of 126 residues in 24.6 ms (Link to these results)

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