A0A087XMT7_POEFO Loading...

Macrophage migration inhibitory factor

AlphaFold DB (A0A3B3U412), UniProt , Accession A0A087XMT7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 115 aa.

						>A0A087XMT7_POEFO|A0A087XMT7
MPMLVVNTNVAKSDVPAALLSEATEDLAKAIGKPVQYIAVHINPDQMMMFGGKGDPCALCSLHSIGKIGGSHNKQYSKLLCGLLNKHLSIAPDRIYINFVDMDAANVGWNNTTFG
					

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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	91.5	Very high	97.9	Very high	30 Å²	30	23.5 Å²	23.5	15%	0.148	13%	0.132	C	C	.	.				0	101.3	0	-129.7	-47.3	-71.7	0	0	110	M3 K33 Y37 H63 I65 V107 F114	M1-M3 HydrophobicContact CE-CB 3.58Å; M1-M3 HydrophobicContact SD-CB 3.6Å; M1-M3 VanDerWaalsContact SD-CB 3.6Å; M1-M3 HydrophobicContact SD-CE 4.32Å; M1-M3 PolarHBondContact SD-N 3.07Å; M1-M3 VanDerWaalsContact SD-N 3.43Å; M1-K33 PolarHBondContact O-NZ 3.13Å; M1-Y37 WeakPolarHBondContact CA-O 3.1Å; M1-Y37 PolarHBondContact N-O 2.82Å; M1-H63 HydrophobicContact CE-CB 4.05Å; M1-H63 VanDerWaalsContact CE-O 3.25Å; M1-H63 WeakPolarHBondContact CE-O 3.29Å; M1-I65 HydrophobicContact CB-CD1 4.22Å; M1-V107 HydrophobicContact CB-CG1 4.13Å; M1-V107 HydrophobicContact CG-CG1 3.73Å; M1-F114 HydrophobicContact CB-CE2 4.02Å; M1-F114 HydrophobicContact CB-CZ 4.3Å; M1-F114 HydrophobicContact CG-CE2 4.34Å
2	P	96.5	Very high	98	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)		-116.3	149.1	121.8	35.6	-34.3	0	0	0	112.4	I31 K33 Y37 I38 A39 L62 H63	P2-I31 HydrophobicContact CB-CD1 3.8Å; P2-I31 HydrophobicContact CG-CD1 3.74Å; P2-K33 HydrophobicContact CG-CD 4.36Å; P2-Y37 VanDerWaalsContact CD-O 3.3Å; P2-Y37 WeakPolarHBondContact CD-O 3.47Å; P2-I38 HydrophobicContact CG-CB 4.44Å; P2-I38 HydrophobicContact CG-CD1 4.37Å; P2-I38 HydrophobicContact CG-CG1 3.81Å; P2-I38 HydrophobicContact CG-CG2 4.4Å; P2-I38 WeakPolarHBondContact O-CA 3.18Å; P2-A39 PolarHBondContact O-N 3.39Å; P2-L62 HydrophobicContact CB-CD1 4.31Å; P2-H63 CarbonylContact C-O 3.57Å; P2-H63 WeakPolarHBondContact CA-O 3.42Å; P2-H63 WeakPolarHBondContact CB-O 3.49Å
3	M	98.7	Very high	98	Very high	76 Å²	76	39.1 Å²	39.1	37%	0.374	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.5	179.4	-177.3	-175.4	-57.1	0	0	108	M1 V5 A39 L62 H63	M1-M3 HydrophobicContact CE-CB 3.58Å; M1-M3 HydrophobicContact SD-CB 3.6Å; M1-M3 VanDerWaalsContact SD-CB 3.6Å; M1-M3 HydrophobicContact SD-CE 4.32Å; M1-M3 PolarHBondContact SD-N 3.07Å; M1-M3 VanDerWaalsContact SD-N 3.43Å; M3-V5 HydrophobicContact CG-CG2 4.18Å; M3-V5 HydrophobicContact SD-CG2 4.23Å; M3-A39 WeakPolarHBondContact CA-O 3.35Å; M3-A39 HydrophobicContact CG-CB 4.26Å; M3-L62 WeakPolarHBondContact O-CA 3.34Å; M3-H63 PolarHBondContact N-O 2.66Å; M3-H63 PolarHBondContact O-N 2.88Å
4	L	98.9	Very high	98	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125	169.4	175.6	66.8	0	0	0	108.8	V6 A23 L27 A39 V40 H41 S61 L62 L80	L4-V6 HydrophobicContact CD1-CG2 4.15Å; L4-V6 HydrophobicContact CD2-CG2 4.06Å; L4-V6 HydrophobicContact CG-CG2 3.96Å; L4-A23 HydrophobicContact CD2-CB 4.34Å; L4-L27 HydrophobicContact CB-CD1 3.9Å; L4-L27 HydrophobicContact CD2-CD1 3.97Å; L4-L27 HydrophobicContact CG-CD1 4.49Å; L4-A39 PolarHBondContact N-O 2.92Å; L4-V40 HydrophobicContact CB-CG2 4.47Å; L4-V40 HydrophobicContact CD2-CG1 4.15Å; L4-V40 WeakPolarHBondContact O-CA 3.32Å; L4-H41 PolarHBondContact O-N 3.43Å; L4-S61 WeakPolarHBondContact CA-O 3.29Å; L4-L62 HydrophobicContact CB-CD1 4.25Å; L4-L80 HydrophobicContact CD1-CD1 4Å; L4-L80 HydrophobicContact CD1-CD2 4.08Å; L4-L80 HydrophobicContact CD2-CD2 3.65Å
5	V	98.9	Very high	98	Very high	22 Å²	22	42.8 Å²	42.8	13%	0.133	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.7	166.9	-175.8	0	0	0	0	108.4	M3 H41 C60 S61	M3-V5 HydrophobicContact CG-CG2 4.18Å; M3-V5 HydrophobicContact SD-CG2 4.23Å; V5-H41 CarbonylContact C-O 3.42Å; V5-H41 WeakPolarHBondContact CA-O 3.48Å; V5-H41 HydrophobicContact CG2-CB 4.37Å; V5-C60 CarbonylContact O-C 3.5Å; V5-C60 WeakPolarHBondContact O-CA 3.18Å; V5-C60 WeakPolarHBondContact O-CB 3.35Å; V5-S61 PolarHBondContact N-O 2.94Å; V5-S61 PolarHBondContact O-N 3.34Å
6	V	98.9	Very high	98	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115.6	175.5	179.8	0	0	0	0	108.2	L4 H41 I42 N43 A58 L84	L4-V6 HydrophobicContact CD1-CG2 4.15Å; L4-V6 HydrophobicContact CD2-CG2 4.06Å; L4-V6 HydrophobicContact CG-CG2 3.96Å; V6-H41 PolarHBondContact N-O 2.99Å; V6-I42 HydrophobicContact CB-CD1 3.63Å; V6-I42 HydrophobicContact CG1-CD1 4.4Å; V6-I42 HydrophobicContact CG2-CD1 3.63Å; V6-N43 PolarHBondContact O-N 2.92Å; V6-A58 HydrophobicContact CG1-CB 4.24Å; V6-L84 HydrophobicContact CG1-CD1 4.41Å; V6-L84 HydrophobicContact CG1-CD2 3.81Å; V6-L84 HydrophobicContact CG2-CD2 4.22Å
7	N	98.9	Very high	97.7	Very high	44 Å²	44	45.3 Å²	45.3	24%	0.235	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127.1	169.4	-51.9	-77.6	0	0	0	108.1	N43 Q46 M48 A58 L59	N7-N43 PolarHBondContact OD1-ND2 3.19Å; N7-Q46 HydrophobicContact CB-CG 4.46Å; N7-M48 HydrophobicContact CB-CE 3.97Å; N7-M48 HydrophobicContact CB-SD 3.99Å; N7-A58 CarbonylContact O-C 3.51Å; N7-A58 VanDerWaalsContact O-CA 3.22Å; N7-A58 WeakPolarHBondContact O-CA 3.3Å; N7-L59 PolarHBondContact N-O 3.48Å; N7-L59 PolarHBondContact ND2-O 2.71Å; N7-L59 VanDerWaalsContact ND2-O 3.09Å; N7-L59 PolarHBondContact O-N 3.44Å
8	T	98.9	Very high	97.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	148.7	-177.2	-175	0	0	0	0	112.1	V10 N43 P44 D45 Q46 C57 L88 I90	T8-V10 VanDerWaalsContact C-N 3.25Å; T8-V10 HydrophobicContact CG2-CB 4.05Å; T8-V10 WeakPolarHBondContact OG1-CG2 3.36Å; T8-V10 PolarHBondContact OG1-N 3.26Å; T8-N43 PolarHBondContact N-O 3.27Å; T8-P44 CarbonylContact O-C 3.53Å; T8-D45 PolarHBondContact O-N 3.39Å; T8-Q46 VanDerWaalsContact O-CB 3.29Å; T8-Q46 WeakPolarHBondContact O-CB 3.46Å; T8-Q46 WeakPolarHBondContact O-CG 3.33Å; T8-Q46 PolarHBondContact O-N 3.2Å; T8-Q46 VanDerWaalsContact O-N 3.07Å; T8-C57 WeakPolarHBondContact CA-O 3.24Å; T8-C57 WeakPolarHBondContact CB-O 3.37Å; T8-C57 PolarHBondContact OG1-O 3.43Å; T8-L88 HydrophobicContact CG2-CD1 4.27Å; T8-I90 WeakPolarHBondContact OG1-CD1 3.36Å
9	N	98.8	Very high	97.7	Very high	34 Å²	34	43.3 Å²	43.3	18%	0.182	26%	0.261	C	S	.	.	S	Bend	trans	-81.7	-0	171.5	62.2	-11.1	0	0	0	113.5	Q46 M48 G54 D55 P56 C57	N9-Q46 WeakPolarHBondContact CA-O 3.09Å; N9-Q46 VanDerWaalsContact CB-O 3.25Å; N9-Q46 WeakPolarHBondContact CB-O 3.27Å; N9-M48 HydrophobicContact CB-CB 4.29Å; N9-G54 PolarHBondContact ND2-O 2.95Å; N9-D55 PolarHBondContact ND2-O 3.3Å; N9-D55 VanDerWaalsContact ND2-O 3.08Å; N9-P56 VanDerWaalsContact OD1-CA 3.32Å; N9-P56 WeakPolarHBondContact OD1-CA 3.33Å; N9-C57 PolarHBondContact OD1-N 2.93Å; N9-C57 PolarHBondContact OD1-O 3.25Å
10	V	98.8	Very high	97.7	Very high	13 Å²	13	45 Å²	45	8%	0.079	27%	0.268	C	S	.	.	S	Bend	trans	-64.9	139.8	172.9	174	0	0	0	0	109.9	T8 D14 P44 D45 P56 L88 I90	T8-V10 VanDerWaalsContact C-N 3.25Å; T8-V10 HydrophobicContact CG2-CB 4.05Å; T8-V10 WeakPolarHBondContact OG1-CG2 3.36Å; T8-V10 PolarHBondContact OG1-N 3.26Å; V10-D14 HydrophobicContact CG1-CB 3.91Å; V10-P44 VanDerWaalsContact O-CB 3.28Å; V10-P44 WeakPolarHBondContact O-CB 3.29Å; V10-D45 PolarHBondContact O-N 2.91Å; V10-P56 HydrophobicContact CG2-CB 4.01Å; V10-L88 HydrophobicContact CG1-CB 4.5Å; V10-L88 HydrophobicContact CG1-CD2 4.35Å; V10-L88 HydrophobicContact CG2-CB 4.27Å; V10-I90 HydrophobicContact CG2-CD1 4.04Å; V10-I90 HydrophobicContact CG2-CG1 3.97Å
11	A	98.6	Very high	97.7	Very high	32 Å²	32	45.9 Å²	45.9	26%	0.264	28%	0.277	S	S	.	.			trans	-66	144	-177	0	0	0	0	0	111.3	S13 D14 D45	A11-S13 PolarHBondContact O-N 3.38Å; A11-D14 PolarHBondContact O-N 3.04Å; A11-D45 WeakPolarHBondContact CA-OD1 3.42Å
12	K	98.3	Very high	98	Very high	144 Å²	144	46.7 Å²	46.7	63%	0.626	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-58.6	-32.1	178.2	179.9	176.1	-178.4	179.4	0	113.3	D14 V15 P44 D45	K12-D14 PolarHBondContact O-N 3.19Å; K12-V15 PolarHBondContact O-N 2.85Å; K12-P44 HydrophobicContact CB-CB 4.03Å; K12-P44 HydrophobicContact CB-CG 3.62Å; K12-P44 HydrophobicContact CD-CG 4.42Å; K12-P44 HydrophobicContact CG-CG 3.92Å; K12-D45 WeakPolarHBondContact CB-OD2 3.15Å; K12-D45 PolarHBondContact N-OD1 2.82Å
13	S	98.2	Very high	98.1	Very high	106 Å²	106	46.8 Å²	46.8	74%	0.741	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-60.9	-24.9	175.3	54.3	0	0	0	0	113.2	A11	A11-S13 PolarHBondContact O-N 3.38Å
14	D	98	Very high	98.1	Very high	101 Å²	101	44.4 Å²	44.4	54%	0.54	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-99.4	1.7	-174.9	-54.3	-19.5	0	0	0	111.7	V10 A11 K12 P16	V10-D14 HydrophobicContact CG1-CB 3.91Å; A11-D14 PolarHBondContact O-N 3.04Å; K12-D14 PolarHBondContact O-N 3.19Å; D14-P16 WeakPolarHBondContact O-CD 3.25Å
15	V	98.2	Very high	98.1	Very high	33 Å²	33	49 Å²	49	20%	0.2	29%	0.292	C	S	.	.			trans	-90.6	107.1	175.9	-178.1	0	0	0	0	109.7	K12 L19 I42 P44 L88	K12-V15 PolarHBondContact O-N 2.85Å; V15-L19 HydrophobicContact CG1-CD2 4.38Å; V15-I42 HydrophobicContact CG1-CG2 4.13Å; V15-P44 HydrophobicContact CG2-CB 3.84Å; V15-P44 HydrophobicContact CG2-CG 4.41Å; V15-L88 HydrophobicContact CB-CD2 4.32Å; V15-L88 HydrophobicContact CG1-CD2 4.31Å; V15-L88 HydrophobicContact CG2-CD2 3.96Å
16	P	97.6	Very high	98	Very high	44 Å²	44	50 Å²	50	29%	0.286	30%	0.296	S	S	.	.			trans	-72	137.6	177.9	29.7	-34.3	0	0	0	110.6	D14 A18 L19 H87	D14-P16 WeakPolarHBondContact O-CD 3.25Å; P16-A18 PolarHBondContact O-N 3.08Å; P16-A18 VanDerWaalsContact O-N 3.1Å; P16-L19 HydrophobicContact CG-CB 4.35Å; P16-L19 WeakPolarHBondContact O-CB 3.28Å; P16-L19 PolarHBondContact O-N 2.81Å; P16-H87 HydrophobicContact CG-CB 3.88Å; P16-H87 WeakPolarHBondContact CG-ND1 3.42Å
17	A	93.9	Very high	98	Very high	84 Å²	84	49.9 Å²	49.9	69%	0.694	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.9	174.9	0	0	0	0	0	112.6	L19 L20	A17-L19 PolarHBondContact O-N 3.28Å; A17-L20 PolarHBondContact O-N 3.01Å
18	A	97.3	Very high	98	Very high	49 Å²	49	48.4 Å²	48.4	41%	0.405	29%	0.29	S	S	.	.	H	α-helix	trans	-59.7	-25.4	176.7	0	0	0	0	0	113.8	P16 L20 S21 E22	P16-A18 PolarHBondContact O-N 3.08Å; P16-A18 VanDerWaalsContact O-N 3.1Å; A18-L20 VanDerWaalsContact C-N 3.28Å; A18-L20 PolarHBondContact O-N 3Å; A18-S21 PolarHBondContact O-N 3.07Å; A18-S21 PolarHBondContact O-OG 2.93Å; A18-E22 WeakPolarHBondContact O-CB 3.34Å; A18-E22 PolarHBondContact O-N 3.08Å
19	L	98.2	Very high	97.9	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	32%	0.32	C	S	.	.	H	α-helix	trans	-60.3	-39.3	176.6	175.1	59.6	0	0	0	111.3	V15 P16 A17 A23 I42 L83 H87 L88	V15-L19 HydrophobicContact CG1-CD2 4.38Å; P16-L19 HydrophobicContact CG-CB 4.35Å; P16-L19 WeakPolarHBondContact O-CB 3.28Å; P16-L19 PolarHBondContact O-N 2.81Å; A17-L19 PolarHBondContact O-N 3.28Å; L19-A23 WeakPolarHBondContact O-CB 3.4Å; L19-A23 PolarHBondContact O-N 2.8Å; L19-I42 HydrophobicContact CD2-CD1 4.16Å; L19-I42 HydrophobicContact CD2-CG1 4.38Å; L19-L83 HydrophobicContact CD1-CB 4.38Å; L19-H87 HydrophobicContact CB-CB 4.29Å; L19-H87 HydrophobicContact CD1-CB 4.1Å; L19-H87 HydrophobicContact CD2-CB 4.4Å; L19-H87 HydrophobicContact CG-CB 4.49Å; L19-L88 HydrophobicContact CD2-CD1 3.97Å; L19-L88 HydrophobicContact CD2-CD2 3.98Å; L19-L88 HydrophobicContact CD2-CG 4Å
20	L	97.6	Very high	97.9	Very high	77 Å²	77	54.5 Å²	54.5	40%	0.403	32%	0.318	S	S	.	.	H	α-helix	trans	-64.6	-48	179.7	-69.6	171.5	0	0	0	111.5	A17 A18 T24 V40 I42	A17-L20 PolarHBondContact O-N 3.01Å; A18-L20 VanDerWaalsContact C-N 3.28Å; A18-L20 PolarHBondContact O-N 3Å; L20-T24 WeakPolarHBondContact O-CB 3.45Å; L20-T24 PolarHBondContact O-N 3.22Å; L20-T24 VanDerWaalsContact O-N 3.1Å; L20-T24 PolarHBondContact O-OG1 3.35Å; L20-V40 HydrophobicContact CD2-CB 4.08Å; L20-V40 HydrophobicContact CD2-CG1 3.73Å; L20-I42 HydrophobicContact CD2-CG1 3.72Å
21	S	97	Very high	97.8	Very high	64 Å²	64	54.2 Å²	54.2	45%	0.448	32%	0.316	S	S	.	.	H	α-helix	trans	-67.2	-45.1	179.6	48.5	0	0	0	0	111.9	A18 T24 E25	A18-S21 PolarHBondContact O-N 3.07Å; A18-S21 PolarHBondContact O-OG 2.93Å; S21-T24 WeakPolarHBondContact O-CB 3.32Å; S21-T24 PolarHBondContact O-N 2.87Å; S21-E25 PolarHBondContact O-N 2.87Å
22	E	98.3	Very high	97.8	Very high	48 Å²	48	55.6 Å²	55.6	22%	0.224	33%	0.333	C	S	.	.	H	α-helix	trans	-66.9	-44.6	-178.5	-166.7	175	172.8	0	0	111.2	A18 T24 E25 D26 L83 K86 H87	A18-E22 WeakPolarHBondContact O-CB 3.34Å; A18-E22 PolarHBondContact O-N 3.08Å; E22-T24 VanDerWaalsContact C-N 3.27Å; E22-T24 PolarHBondContact O-N 3.35Å; E22-E25 PolarHBondContact O-N 3.43Å; E22-D26 WeakPolarHBondContact O-CB 3.21Å; E22-D26 PolarHBondContact O-N 3.09Å; E22-L83 HydrophobicContact CB-CD2 4.39Å; E22-L83 HydrophobicContact CG-CD2 3.71Å; E22-K86 IonicContact OE1-NZ 2.67Å; E22-K86 PolarHBondContact OE1-NZ 3.25Å; E22-K86 IonicContact OE2-NZ 2.81Å; E22-K86 PolarHBondContact OE2-NZ 3.29Å; E22-H87 IonicContact OE2-CD2 3.88Å; E22-H87 IonicContact OE2-CE1 3.27Å; E22-H87 PolarHBondContact OE2-CE1 3.3Å; E22-H87 VanDerWaalsContact OE2-CE1 3.27Å; E22-H87 IonicContact OE2-NE2 2.66Å; E22-H87 PolarHBondContact OE2-NE2 3.48Å
23	A	98.4	Very high	97.8	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-60.2	-38.5	175	0	0	0	0	0	112.1	L4 L19 L27 V40 L83	L4-A23 HydrophobicContact CD2-CB 4.34Å; L19-A23 WeakPolarHBondContact O-CB 3.4Å; L19-A23 PolarHBondContact O-N 2.8Å; A23-L27 WeakPolarHBondContact O-CB 3.22Å; A23-L27 WeakPolarHBondContact O-CD1 3.45Å; A23-L27 WeakPolarHBondContact O-CG 3.43Å; A23-L27 PolarHBondContact O-N 3.01Å; A23-V40 HydrophobicContact CB-CG1 4.33Å; A23-V40 HydrophobicContact CB-CG2 4.29Å; A23-L83 HydrophobicContact CB-CD1 4.15Å
24	T	98.5	Very high	97.8	Very high	26 Å²	26	49 Å²	49	16%	0.16	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-50.4	177.4	-61.4	0	0	0	0	111.4	L20 S21 E22 A28 V35 I38 V40	L20-T24 WeakPolarHBondContact O-CB 3.45Å; L20-T24 PolarHBondContact O-N 3.22Å; L20-T24 VanDerWaalsContact O-N 3.1Å; L20-T24 PolarHBondContact O-OG1 3.35Å; S21-T24 WeakPolarHBondContact O-CB 3.32Å; S21-T24 PolarHBondContact O-N 2.87Å; E22-T24 VanDerWaalsContact C-N 3.27Å; E22-T24 PolarHBondContact O-N 3.35Å; T24-A28 WeakPolarHBondContact O-CB 3.45Å; T24-A28 PolarHBondContact O-N 2.82Å; T24-V35 HydrophobicContact CG2-CG1 3.75Å; T24-I38 HydrophobicContact CG2-CB 4.19Å; T24-I38 HydrophobicContact CG2-CG2 4.27Å; T24-I38 WeakPolarHBondContact O-CD1 3.33Å; T24-V40 WeakPolarHBondContact OG1-CG2 3.49Å
25	E	98.4	Very high	97.7	Very high	103 Å²	103	47.9 Å²	47.9	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-66.1	-43.7	-179.1	-71.5	-176.6	-164.8	0	0	112.8	S21 E22 A28 K29	S21-E25 PolarHBondContact O-N 2.87Å; E22-E25 PolarHBondContact O-N 3.43Å; E25-A28 WeakPolarHBondContact O-CB 3.38Å; E25-A28 PolarHBondContact O-N 2.92Å; E25-K29 WeakPolarHBondContact O-CG 3.21Å; E25-K29 PolarHBondContact O-N 3.11Å; E25-K29 IonicContact OE2-NZ 3.74Å
26	D	98.4	Very high	97.7	Very high	41 Å²	41	53.6 Å²	53.6	22%	0.219	32%	0.32	C	S	.	.	H	α-helix	trans	-72.4	-36.6	-176.2	-77.7	-2.7	0	0	0	111.7	E22 K29 A30 L79 L83	E22-D26 WeakPolarHBondContact O-CB 3.21Å; E22-D26 PolarHBondContact O-N 3.09Å; D26-K29 PolarHBondContact O-N 2.9Å; D26-K29 IonicContact OD1-NZ 3.39Å; D26-K29 PolarHBondContact OD1-NZ 2.74Å; D26-A30 VanDerWaalsContact O-CB 3.24Å; D26-A30 WeakPolarHBondContact O-CB 3.28Å; D26-A30 PolarHBondContact O-N 3.1Å; D26-L79 HydrophobicContact CB-CD1 4.13Å; D26-L79 HydrophobicContact CB-CD2 4.37Å; D26-L79 HydrophobicContact CB-CG 4.47Å; D26-L83 HydrophobicContact CB-CD1 4.49Å
27	L	98.3	Very high	97.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-38.6	169.3	-74.6	173.1	0	0	0	111.8	L4 A23 K29 A30 I31 I38 L62 L79 L80	L4-L27 HydrophobicContact CB-CD1 3.9Å; L4-L27 HydrophobicContact CD2-CD1 3.97Å; L4-L27 HydrophobicContact CG-CD1 4.49Å; A23-L27 WeakPolarHBondContact O-CB 3.22Å; A23-L27 WeakPolarHBondContact O-CD1 3.45Å; A23-L27 WeakPolarHBondContact O-CG 3.43Å; A23-L27 PolarHBondContact O-N 3.01Å; L27-K29 VanDerWaalsContact C-N 3.33Å; L27-K29 PolarHBondContact O-N 2.87Å; L27-A30 PolarHBondContact O-N 3.41Å; L27-I31 HydrophobicContact CB-CD1 4.26Å; L27-I31 HydrophobicContact CD2-CD1 4Å; L27-I31 VanDerWaalsContact O-CB 3.22Å; L27-I31 WeakPolarHBondContact O-CB 3.24Å; L27-I31 VanDerWaalsContact O-CG1 3.32Å; L27-I31 WeakPolarHBondContact O-CG1 3.38Å; L27-I31 PolarHBondContact O-N 3.02Å; L27-I38 HydrophobicContact CB-CD1 4.25Å; L27-L62 HydrophobicContact CD1-CD1 4.37Å; L27-L62 HydrophobicContact CD2-CD1 4.37Å; L27-L62 HydrophobicContact CD2-CD2 4.27Å; L27-L79 HydrophobicContact CD2-CD2 4.27Å; L27-L80 HydrophobicContact CD2-CD2 4.16Å; L27-L80 HydrophobicContact CG-CD2 4.49Å
28	A	98.3	Very high	97.9	Very high	12 Å²	12	52.1 Å²	52.1	10%	0.099	29%	0.293	C	S	.	.	H	α-helix	trans	-58.6	-47.8	176.2	0	0	0	0	0	111.5	T24 E25 G32 K33 V35 I38	T24-A28 WeakPolarHBondContact O-CB 3.45Å; T24-A28 PolarHBondContact O-N 2.82Å; E25-A28 WeakPolarHBondContact O-CB 3.38Å; E25-A28 PolarHBondContact O-N 2.92Å; A28-G32 VanDerWaalsContact O-CA 3.29Å; A28-G32 WeakPolarHBondContact O-CA 3.38Å; A28-G32 PolarHBondContact O-N 2.95Å; A28-K33 WeakPolarHBondContact CA-O 3.34Å; A28-K33 WeakPolarHBondContact CB-O 3.35Å; A28-K33 PolarHBondContact O-N 3.38Å; A28-V35 HydrophobicContact CB-CG2 3.51Å; A28-I38 HydrophobicContact CB-CD1 3.45Å; A28-I38 VanDerWaalsContact CB-CD1 3.45Å; A28-I38 VanDerWaalsContact N-CD1 3.29Å
29	K	98.2	Very high	98	Very high	145 Å²	145	51.9 Å²	51.9	63%	0.63	29%	0.291	S	S	*	.	H	α-helix	trans	-63.4	-47.4	177.4	-66.5	165	-163.8	155.4	0	111.4	E25 D26 L27	E25-K29 WeakPolarHBondContact O-CG 3.21Å; E25-K29 PolarHBondContact O-N 3.11Å; E25-K29 IonicContact OE2-NZ 3.74Å; D26-K29 PolarHBondContact O-N 2.9Å; D26-K29 IonicContact OD1-NZ 3.39Å; D26-K29 PolarHBondContact OD1-NZ 2.74Å; L27-K29 VanDerWaalsContact C-N 3.33Å; L27-K29 PolarHBondContact O-N 2.87Å
30	A	97.6	Very high	98	Very high	18 Å²	18	53 Å²	53	15%	0.149	30%	0.298	C	S	.	.	H	α-helix	trans	-72.7	-37.4	-174.8	0	0	0	0	0	113.7	D26 L27 Y76 L79	D26-A30 VanDerWaalsContact O-CB 3.24Å; D26-A30 WeakPolarHBondContact O-CB 3.28Å; D26-A30 PolarHBondContact O-N 3.1Å; L27-A30 PolarHBondContact O-N 3.41Å; A30-Y76 HydrophobicContact CB-CD1 4.17Å; A30-Y76 HydrophobicContact CB-CE1 3.98Å; A30-L79 HydrophobicContact CB-CD1 3.65Å
31	I	97.8	Very high	98	Very high	6 Å²	6	54 Å²	54	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-84.1	-26	179.2	-60.6	176	0	0	0	110.8	P2 L27 K33 L62 K67 Y76	P2-I31 HydrophobicContact CB-CD1 3.8Å; P2-I31 HydrophobicContact CG-CD1 3.74Å; L27-I31 HydrophobicContact CB-CD1 4.26Å; L27-I31 HydrophobicContact CD2-CD1 4Å; L27-I31 VanDerWaalsContact O-CB 3.22Å; L27-I31 WeakPolarHBondContact O-CB 3.24Å; L27-I31 VanDerWaalsContact O-CG1 3.32Å; L27-I31 WeakPolarHBondContact O-CG1 3.38Å; L27-I31 PolarHBondContact O-N 3.02Å; I31-K33 HydrophobicContact CG2-CB 4.21Å; I31-K33 HydrophobicContact CG2-CD 3.75Å; I31-K33 HydrophobicContact CG2-CG 3.84Å; I31-L62 HydrophobicContact CD1-CD1 4.39Å; I31-L62 HydrophobicContact CD1-CD2 4.3Å; I31-K67 HydrophobicContact CG2-CB 3.79Å; I31-K67 HydrophobicContact CG2-CG 3.96Å; I31-Y76 HydrophobicContact CG1-CE1 3.93Å; I31-Y76 HydrophobicContact CG1-CE2 4.26Å
32	G	97.8	Very high	98.1	Very high	61 Å²	61	52.2 Å²	52.2	63%	0.629	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	35.3	-174.6	0	0	0	0	0	112.2	A28	A28-G32 VanDerWaalsContact O-CA 3.29Å; A28-G32 WeakPolarHBondContact O-CA 3.38Å; A28-G32 PolarHBondContact O-N 2.95Å
33	K	97.6	Very high	98.1	Very high	37 Å²	37	51.8 Å²	51.8	16%	0.161	29%	0.285	C	S	.	.			trans	-116.8	145.4	177.2	-78.3	-178.8	-179.8	179.1	0	110.4	M1 P2 A28 I31 V35 S64 I65	M1-K33 PolarHBondContact O-NZ 3.13Å; P2-K33 HydrophobicContact CG-CD 4.36Å; A28-K33 WeakPolarHBondContact CA-O 3.34Å; A28-K33 WeakPolarHBondContact CB-O 3.35Å; A28-K33 PolarHBondContact O-N 3.38Å; I31-K33 HydrophobicContact CG2-CB 4.21Å; I31-K33 HydrophobicContact CG2-CD 3.75Å; I31-K33 HydrophobicContact CG2-CG 3.84Å; K33-V35 PolarHBondContact O-N 3.18Å; K33-S64 PolarHBondContact NZ-OG 3.33Å; K33-I65 PolarHBondContact NZ-O 3.34Å
34	P	97.8	Very high	98.1	Very high	75 Å²	75	52.7 Å²	52.7	49%	0.487	29%	0.291	S	S	.	.			trans	-57.3	138.7	178.6	-24.5	32.5	0	0	0	112.5	Q36 Y37	P34-Q36 HydrophobicContact CB-CG 4.04Å; P34-Q36 PolarHBondContact O-N 3.01Å; P34-Y37 HydrophobicContact CB-CD2 3.82Å; P34-Y37 HydrophobicContact CB-CE2 4.34Å; P34-Y37 HydrophobicContact CG-CD2 3.85Å; P34-Y37 HydrophobicContact CG-CE2 4.14Å; P34-Y37 WeakPolarHBondContact O-CB 3.43Å; P34-Y37 PolarHBondContact O-N 3.21Å
35	V	97.4	Very high	98.2	Very high	78 Å²	78	56.2 Å²	56.2	47%	0.473	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-50.4	-41.3	178.7	163.4	0	0	0	0	112.4	T24 A28 K33 Y37 I38	T24-V35 HydrophobicContact CG2-CG1 3.75Å; A28-V35 HydrophobicContact CB-CG2 3.51Å; K33-V35 PolarHBondContact O-N 3.18Å; V35-Y37 PolarHBondContact O-N 3.1Å; V35-I38 PolarHBondContact O-N 2.95Å
36	Q	97.1	Very high	98.2	Very high	152 Å²	152	55.1 Å²	55.1	71%	0.71	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-57.8	-16	-180	71.8	-177	21.3	0	0	114.7	P34	P34-Q36 HydrophobicContact CB-CG 4.04Å; P34-Q36 PolarHBondContact O-N 3.01Å
37	Y	97.8	Very high	98.2	Very high	76 Å²	76	62.6 Å²	62.6	30%	0.298	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-103.3	5.5	-178.6	-72.5	-53.5	0	0	0	114	M1 P2 P34 V35 W109	M1-Y37 WeakPolarHBondContact CA-O 3.1Å; M1-Y37 PolarHBondContact N-O 2.82Å; P2-Y37 VanDerWaalsContact CD-O 3.3Å; P2-Y37 WeakPolarHBondContact CD-O 3.47Å; P34-Y37 HydrophobicContact CB-CD2 3.82Å; P34-Y37 HydrophobicContact CB-CE2 4.34Å; P34-Y37 HydrophobicContact CG-CD2 3.85Å; P34-Y37 HydrophobicContact CG-CE2 4.14Å; P34-Y37 WeakPolarHBondContact O-CB 3.43Å; P34-Y37 PolarHBondContact O-N 3.21Å; V35-Y37 PolarHBondContact O-N 3.1Å; Y37-W109 AromaticContact CE1-CH2 3.71Å; Y37-W109 HydrophobicContact CE1-CH2 3.71Å; Y37-W109 AromaticContact CE1-CZ2 3.88Å; Y37-W109 HydrophobicContact CE1-CZ2 3.88Å; Y37-W109 HydrophobicContact CE1-CZ3 4.15Å
38	I	98.3	Very high	98.2	Very high	21 Å²	21	64.4 Å²	64.4	11%	0.108	35%	0.348	C	S	.	.			trans	-103.2	129.3	-177.1	-54.1	-174.5	0	0	0	108.9	P2 T24 L27 A28 V35 V40	P2-I38 HydrophobicContact CG-CB 4.44Å; P2-I38 HydrophobicContact CG-CD1 4.37Å; P2-I38 HydrophobicContact CG-CG1 3.81Å; P2-I38 HydrophobicContact CG-CG2 4.4Å; P2-I38 WeakPolarHBondContact O-CA 3.18Å; T24-I38 HydrophobicContact CG2-CB 4.19Å; T24-I38 HydrophobicContact CG2-CG2 4.27Å; T24-I38 WeakPolarHBondContact O-CD1 3.33Å; L27-I38 HydrophobicContact CB-CD1 4.25Å; A28-I38 HydrophobicContact CB-CD1 3.45Å; A28-I38 VanDerWaalsContact CB-CD1 3.45Å; A28-I38 VanDerWaalsContact N-CD1 3.29Å; V35-I38 PolarHBondContact O-N 2.95Å; I38-V40 HydrophobicContact CG2-CG2 4.23Å
39	A	98.6	Very high	98.2	Very high	44 Å²	44	69.8 Å²	69.8	36%	0.364	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.5	170.5	0	0	0	0	0	109.3	P2 M3 L4	P2-A39 PolarHBondContact O-N 3.39Å; M3-A39 WeakPolarHBondContact CA-O 3.35Å; M3-A39 HydrophobicContact CG-CB 4.26Å; L4-A39 PolarHBondContact N-O 2.92Å
40	V	98.6	Very high	98.2	Very high	28 Å²	28	64.5 Å²	64.5	17%	0.17	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.5	174.6	-177.2	0	0	0	0	108.5	L4 L20 A23 T24 I38 I42	L4-V40 HydrophobicContact CB-CG2 4.47Å; L4-V40 HydrophobicContact CD2-CG1 4.15Å; L4-V40 WeakPolarHBondContact O-CA 3.32Å; L20-V40 HydrophobicContact CD2-CB 4.08Å; L20-V40 HydrophobicContact CD2-CG1 3.73Å; A23-V40 HydrophobicContact CB-CG1 4.33Å; A23-V40 HydrophobicContact CB-CG2 4.29Å; T24-V40 WeakPolarHBondContact OG1-CG2 3.49Å; I38-V40 HydrophobicContact CG2-CG2 4.23Å; V40-I42 HydrophobicContact CG1-CD1 3.93Å; V40-I42 HydrophobicContact CG1-CG1 4.36Å
41	H	98.8	Very high	98.2	Very high	98 Å²	98	67.2 Å²	67.2	45%	0.454	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.2	179.7	-174.8	-153.4	0	0	0	109.9	L4 V5 V6 N43	L4-H41 PolarHBondContact O-N 3.43Å; V5-H41 CarbonylContact C-O 3.42Å; V5-H41 WeakPolarHBondContact CA-O 3.48Å; V5-H41 HydrophobicContact CG2-CB 4.37Å; V6-H41 PolarHBondContact N-O 2.99Å; H41-N43 PolarHBondContact CE1-OD1 2.93Å; H41-N43 PolarHBondContact NE2-OD1 2.89Å
42	I	98.6	Very high	98.2	Very high	26 Å²	26	69.8 Å²	69.8	13%	0.133	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121	178.7	-48.5	-61.8	0	0	0	108.4	V6 V15 L19 L20 V40 P44	V6-I42 HydrophobicContact CB-CD1 3.63Å; V6-I42 HydrophobicContact CG1-CD1 4.4Å; V6-I42 HydrophobicContact CG2-CD1 3.63Å; V15-I42 HydrophobicContact CG1-CG2 4.13Å; L19-I42 HydrophobicContact CD2-CD1 4.16Å; L19-I42 HydrophobicContact CD2-CG1 4.38Å; L20-I42 HydrophobicContact CD2-CG1 3.72Å; V40-I42 HydrophobicContact CG1-CD1 3.93Å; V40-I42 HydrophobicContact CG1-CG1 4.36Å; I42-P44 WeakPolarHBondContact O-CD 3.25Å
43	N	98.8	Very high	98.2	Very high	38 Å²	38	73 Å²	73	20%	0.203	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	92.6	175	-65.8	-36.4	0	0	0	108.8	V6 N7 T8 H41 Q46	V6-N43 PolarHBondContact O-N 2.92Å; N7-N43 PolarHBondContact OD1-ND2 3.19Å; T8-N43 PolarHBondContact N-O 3.27Å; H41-N43 PolarHBondContact CE1-OD1 2.93Å; H41-N43 PolarHBondContact NE2-OD1 2.89Å; N43-Q46 HydrophobicContact CB-CG 4.25Å; N43-Q46 VanDerWaalsContact O-CG 3.24Å; N43-Q46 WeakPolarHBondContact O-CG 3.44Å
44	P	98.8	Very high	98.3	Very high	22 Å²	22	73.7 Å²	73.7	14%	0.143	42%	0.422	C	S	.	.			trans	-79.8	-177.7	172.4	34	-35.6	0	0	0	112.2	T8 V10 K12 V15 I42 Q46	T8-P44 CarbonylContact O-C 3.53Å; V10-P44 VanDerWaalsContact O-CB 3.28Å; V10-P44 WeakPolarHBondContact O-CB 3.29Å; K12-P44 HydrophobicContact CB-CB 4.03Å; K12-P44 HydrophobicContact CB-CG 3.62Å; K12-P44 HydrophobicContact CD-CG 4.42Å; K12-P44 HydrophobicContact CG-CG 3.92Å; V15-P44 HydrophobicContact CG2-CB 3.84Å; V15-P44 HydrophobicContact CG2-CG 4.41Å; I42-P44 WeakPolarHBondContact O-CD 3.25Å; P44-Q46 PolarHBondContact O-N 2.83Å; P44-Q46 VanDerWaalsContact O-N 3.13Å; P44-Q46 PolarHBondContact O-NE2 3.11Å
45	D	98.7	Very high	98.3	Very high	99 Å²	99	74.3 Å²	74.3	53%	0.529	42%	0.421	S	S	.	.	S	Bend	trans	58.7	22.1	175.3	-53.4	-48.7	0	0	0	114.4	T8 V10 A11 K12	T8-D45 PolarHBondContact O-N 3.39Å; V10-D45 PolarHBondContact O-N 2.91Å; A11-D45 WeakPolarHBondContact CA-OD1 3.42Å; K12-D45 WeakPolarHBondContact CB-OD2 3.15Å; K12-D45 PolarHBondContact N-OD1 2.82Å
46	Q	98.8	Very high	98.4	Very high	80 Å²	80	73.3 Å²	73.3	37%	0.374	42%	0.416	S	S	.	.			trans	-78.5	142.6	-175.3	-57.6	-61.1	-68.1	0	0	111.8	N7 T8 N9 N43 P44 M48	N7-Q46 HydrophobicContact CB-CG 4.46Å; T8-Q46 VanDerWaalsContact O-CB 3.29Å; T8-Q46 WeakPolarHBondContact O-CB 3.46Å; T8-Q46 WeakPolarHBondContact O-CG 3.33Å; T8-Q46 PolarHBondContact O-N 3.2Å; T8-Q46 VanDerWaalsContact O-N 3.07Å; N9-Q46 WeakPolarHBondContact CA-O 3.09Å; N9-Q46 VanDerWaalsContact CB-O 3.25Å; N9-Q46 WeakPolarHBondContact CB-O 3.27Å; N43-Q46 HydrophobicContact CB-CG 4.25Å; N43-Q46 VanDerWaalsContact O-CG 3.24Å; N43-Q46 WeakPolarHBondContact O-CG 3.44Å; P44-Q46 PolarHBondContact O-N 2.83Å; P44-Q46 VanDerWaalsContact O-N 3.13Å; P44-Q46 PolarHBondContact O-NE2 3.11Å; Q46-M48 HydrophobicContact CB-CG 3.49Å; Q46-M48 VanDerWaalsContact CB-CG 3.49Å; Q46-M48 HydrophobicContact CB-SD 3.36Å; Q46-M48 WeakPolarHBondContact CB-SD 3.44Å; Q46-M48 HydrophobicContact CG-SD 4.01Å; Q46-M48 PolarHBondContact O-N 3.13Å; Q46-M48 VanDerWaalsContact O-N 3.08Å
47	M	98.4	Very high	98.4	Very high	198 Å²	198	66.2 Å²	66.2	98%	0.975	38%	0.383	S	S	*	.			trans	-76.7	94	169.8	-175	176.5	-73.7	0	0	109.7
48	M	98.1	Very high	98.5	Very high	38 Å²	38	62.6 Å²	62.6	19%	0.187	37%	0.369	C	S	.	.			trans	-141.4	154.6	-173.4	-51.7	176.3	75.2	0	0	111.7	N7 N9 Q46 L59	N7-M48 HydrophobicContact CB-CE 3.97Å; N7-M48 HydrophobicContact CB-SD 3.99Å; N9-M48 HydrophobicContact CB-CB 4.29Å; Q46-M48 HydrophobicContact CB-CG 3.49Å; Q46-M48 VanDerWaalsContact CB-CG 3.49Å; Q46-M48 HydrophobicContact CB-SD 3.36Å; Q46-M48 WeakPolarHBondContact CB-SD 3.44Å; Q46-M48 HydrophobicContact CG-SD 4.01Å; Q46-M48 PolarHBondContact O-N 3.13Å; Q46-M48 VanDerWaalsContact O-N 3.08Å; M48-L59 HydrophobicContact CE-CB 3.74Å; M48-L59 HydrophobicContact CE-CD1 3.48Å; M48-L59 VanDerWaalsContact CE-CD1 3.48Å; M48-L59 HydrophobicContact CE-CG 3.44Å; M48-L59 VanDerWaalsContact CE-CG 3.44Å
49	M	98.4	Very high	98.5	Very high	125 Å²	125	65.3 Å²	65.3	62%	0.616	38%	0.383	S	S	*	.			trans	-140.6	154.8	169.4	-63.5	-162.1	-46.6	0	0	109.9	K53	M49-K53 WeakPolarHBondContact CA-O 3.49Å; M49-K53 WeakPolarHBondContact CB-O 3.44Å
50	F	98.6	Very high	98.5	Very high	35 Å²	35	63.5 Å²	63.5	15%	0.154	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-125.9	125.9	171.5	-168.6	-67.3	0	0	0	109.1	G52 K53 C57 D93 R94 Y96	F50-G52 VanDerWaalsContact C-N 3.26Å; F50-G52 PolarHBondContact O-N 2.91Å; F50-K53 PolarHBondContact N-O 3.35Å; F50-K53 PolarHBondContact O-N 2.93Å; F50-C57 HydrophobicContact CB-CB 3.7Å; F50-D93 WeakPolarHBondContact CE1-O 3.46Å; F50-D93 WeakPolarHBondContact CZ-O 3.47Å; F50-R94 HydrophobicContact CG-CB 4.39Å; F50-R94 PolarHBondContact O-NH1 2.9Å; F50-R94 PolarHBondContact O-NH2 2.85Å; F50-Y96 HydrophobicContact CE2-CD1 4.1Å; F50-Y96 AromaticContact CE2-CD2 3.69Å; F50-Y96 HydrophobicContact CE2-CD2 3.69Å; F50-Y96 HydrophobicContact CE2-CE1 4.09Å; F50-Y96 AromaticContact CE2-CE2 3.68Å; F50-Y96 HydrophobicContact CE2-CE2 3.68Å; F50-Y96 AromaticContact CE2-CG 3.91Å; F50-Y96 HydrophobicContact CE2-CG 3.91Å; F50-Y96 AromaticContact CE2-CZ 3.89Å; F50-Y96 HydrophobicContact CZ-CD1 4.28Å; F50-Y96 HydrophobicContact CZ-CD2 4.27Å; F50-Y96 AromaticContact CZ-CE1 3.84Å; F50-Y96 HydrophobicContact CZ-CE1 3.84Å; F50-Y96 AromaticContact CZ-CE2 3.82Å; F50-Y96 HydrophobicContact CZ-CE2 3.82Å; F50-Y96 HydrophobicContact CZ-CG 4.49Å; F50-Y96 AromaticContact CZ-CZ 3.59Å
51	G	98.2	Very high	98.6	Very high	75 Å²	75	63.1 Å²	63.1	77%	0.773	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	32.8	-177.1	0	0	0	0	0	113.7	K53	G51-K53 VanDerWaalsContact C-N 3.27Å; G51-K53 PolarHBondContact O-N 3.1Å
52	G	98.1	Very high	98.6	Very high	60 Å²	60	58.4 Å²	58.4	62%	0.619	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	4.8	-178.4	0	0	0	0	0	115.2	F50	F50-G52 VanDerWaalsContact C-N 3.26Å; F50-G52 PolarHBondContact O-N 2.91Å
53	K	97.9	Very high	98.6	Very high	128 Å²	128	59.9 Å²	59.9	56%	0.557	35%	0.351	S	S	*	.	B	Isolated β-bridge	trans	-117	140.7	-178.2	-58.2	-175.4	178.5	-177	0	112.5	M49 F50 G51 D55 R94	M49-K53 WeakPolarHBondContact CA-O 3.49Å; M49-K53 WeakPolarHBondContact CB-O 3.44Å; F50-K53 PolarHBondContact N-O 3.35Å; F50-K53 PolarHBondContact O-N 2.93Å; G51-K53 VanDerWaalsContact C-N 3.27Å; G51-K53 PolarHBondContact O-N 3.1Å; K53-D55 VanDerWaalsContact CB-OD2 3.32Å; K53-D55 WeakPolarHBondContact CB-OD2 3.47Å; K53-R94 PolarHBondContact O-NH2 3.01Å
54	G	97.8	Very high	98.6	Very high	52 Å²	52	58.1 Å²	58.1	54%	0.536	34%	0.342	S	S	.	.			trans	-84.2	3.7	179.6	0	0	0	0	0	115.7	N9	N9-G54 PolarHBondContact ND2-O 2.95Å
55	D	98.6	Very high	98.6	Very high	88 Å²	88	59 Å²	59	47%	0.471	35%	0.345	S	S	.	.	S	Bend	trans	-55.9	158.1	172.4	-53.8	-82.5	0	0	0	111.4	N9 K53 C57 R94	N9-D55 PolarHBondContact ND2-O 3.3Å; N9-D55 VanDerWaalsContact ND2-O 3.08Å; K53-D55 VanDerWaalsContact CB-OD2 3.32Å; K53-D55 WeakPolarHBondContact CB-OD2 3.47Å; D55-C57 PolarHBondContact O-N 3.39Å; D55-R94 PolarHBondContact O-NH2 2.93Å
56	P	98.8	Very high	98.5	Very high	57 Å²	57	55.5 Å²	55.5	37%	0.37	33%	0.332	S	S	.	.	S	Bend	trans	-46.5	128.8	-179.8	-31.3	36.7	0	0	0	113.1	N9 V10 I90 R94	N9-P56 VanDerWaalsContact OD1-CA 3.32Å; N9-P56 WeakPolarHBondContact OD1-CA 3.33Å; V10-P56 HydrophobicContact CG2-CB 4.01Å; P56-I90 HydrophobicContact CB-CG1 3.95Å; P56-R94 WeakPolarHBondContact O-CD 3.49Å; P56-R94 PolarHBondContact O-NE 3.28Å
57	C	98.9	Very high	98.5	Very high	2 Å²	2	57 Å²	57	1%	0.014	34%	0.337	C	S	.	.			trans	-150.8	163.8	-179.4	66.4	0	0	0	0	111.4	T8 N9 F50 D55 R94	T8-C57 WeakPolarHBondContact CA-O 3.24Å; T8-C57 WeakPolarHBondContact CB-O 3.37Å; T8-C57 PolarHBondContact OG1-O 3.43Å; N9-C57 PolarHBondContact OD1-N 2.93Å; N9-C57 PolarHBondContact OD1-O 3.25Å; F50-C57 HydrophobicContact CB-CB 3.7Å; D55-C57 PolarHBondContact O-N 3.39Å; C57-R94 WeakPolarHBondContact CA-O 3.26Å; C57-R94 HydrophobicContact CB-CB 4.11Å; C57-R94 WeakPolarHBondContact CB-O 3.45Å
58	A	98.9	Very high	98.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	141.2	175.6	0	0	0	0	0	113	V6 N7 L84 I90 R94 I95 Y96	V6-A58 HydrophobicContact CG1-CB 4.24Å; N7-A58 CarbonylContact O-C 3.51Å; N7-A58 VanDerWaalsContact O-CA 3.22Å; N7-A58 WeakPolarHBondContact O-CA 3.3Å; A58-L84 HydrophobicContact CB-CD1 4.25Å; A58-I90 HydrophobicContact CB-CD1 3.92Å; A58-R94 PolarHBondContact N-O 2.91Å; A58-R94 VanDerWaalsContact N-O 3.11Å; A58-I95 HydrophobicContact CB-CG1 4.45Å; A58-I95 HydrophobicContact CB-CG2 4.4Å; A58-I95 WeakPolarHBondContact O-CA 3.49Å; A58-Y96 PolarHBondContact O-N 2.88Å; A58-Y96 VanDerWaalsContact O-N 3.11Å
59	L	98.9	Very high	98.5	Very high	78 Å²	78	48.1 Å²	48.1	41%	0.408	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	112.9	165.9	-58.7	-179.4	0	0	0	108.4	N7 M48 Y96	N7-L59 PolarHBondContact N-O 3.48Å; N7-L59 PolarHBondContact ND2-O 2.71Å; N7-L59 VanDerWaalsContact ND2-O 3.09Å; N7-L59 PolarHBondContact O-N 3.44Å; M48-L59 HydrophobicContact CE-CB 3.74Å; M48-L59 HydrophobicContact CE-CD1 3.48Å; M48-L59 VanDerWaalsContact CE-CD1 3.48Å; M48-L59 HydrophobicContact CE-CG 3.44Å; M48-L59 VanDerWaalsContact CE-CG 3.44Å; L59-Y96 HydrophobicContact CD2-CD2 4.08Å; L59-Y96 HydrophobicContact CD2-CG 4.48Å
60	C	98.9	Very high	98.4	Very high	6 Å²	6	44.9 Å²	44.9	4%	0.041	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	157.2	-172.3	-52.4	0	0	0	0	111.5	V5 Y96 I97 N98	V5-C60 CarbonylContact O-C 3.5Å; V5-C60 WeakPolarHBondContact O-CA 3.18Å; V5-C60 WeakPolarHBondContact O-CB 3.35Å; C60-Y96 WeakPolarHBondContact CB-O 3.45Å; C60-Y96 PolarHBondContact N-O 3.1Å; C60-I97 HydrophobicContact CB-CB 4.38Å; C60-I97 HydrophobicContact CB-CG1 4.02Å; C60-I97 HydrophobicContact CB-CG2 4.27Å; C60-I97 WeakPolarHBondContact O-CA 3.48Å; C60-N98 PolarHBondContact O-N 3.27Å
61	S	98.9	Very high	98.3	Very high	20 Å²	20	47.4 Å²	47.4	14%	0.14	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	136.1	165.1	59.2	0	0	0	0	110.5	L4 V5 N98	L4-S61 WeakPolarHBondContact CA-O 3.29Å; V5-S61 PolarHBondContact N-O 2.94Å; V5-S61 PolarHBondContact O-N 3.34Å; S61-N98 CarbonylContact C-O 3.57Å; S61-N98 VanDerWaalsContact CA-O 3.25Å; S61-N98 WeakPolarHBondContact CA-O 3.11Å
62	L	98.9	Very high	98.3	Very high	0 Å²	0	47 Å²	47	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	106.8	171.1	-179.6	64.4	0	0	0	108.6	P2 M3 L4 L27 I31 Y76 L80 N98 F99 V100	P2-L62 HydrophobicContact CB-CD1 4.31Å; M3-L62 WeakPolarHBondContact O-CA 3.34Å; L4-L62 HydrophobicContact CB-CD1 4.25Å; L27-L62 HydrophobicContact CD1-CD1 4.37Å; L27-L62 HydrophobicContact CD2-CD1 4.37Å; L27-L62 HydrophobicContact CD2-CD2 4.27Å; I31-L62 HydrophobicContact CD1-CD1 4.39Å; I31-L62 HydrophobicContact CD1-CD2 4.3Å; L62-Y76 HydrophobicContact CD2-CD2 3.79Å; L62-Y76 HydrophobicContact CD2-CE2 4.45Å; L62-Y76 HydrophobicContact CD2-CG 4.19Å; L62-L80 HydrophobicContact CD2-CD1 4.44Å; L62-N98 PolarHBondContact N-O 3.37Å; L62-F99 HydrophobicContact CB-CD1 3.96Å; L62-F99 HydrophobicContact CB-CE1 4.2Å; L62-F99 HydrophobicContact CD2-CD1 4Å; L62-F99 HydrophobicContact CD2-CE1 3.91Å; L62-F99 HydrophobicContact CG-CD1 4.45Å; L62-V100 PolarHBondContact O-N 2.89Å
63	H	98.8	Very high	98.3	Very high	57 Å²	57	45.7 Å²	45.7	26%	0.264	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.9	177.2	-61.6	-177.2	0	0	0	108.9	M1 P2 M3 V100 M102	M1-H63 HydrophobicContact CE-CB 4.05Å; M1-H63 VanDerWaalsContact CE-O 3.25Å; M1-H63 WeakPolarHBondContact CE-O 3.29Å; P2-H63 CarbonylContact C-O 3.57Å; P2-H63 WeakPolarHBondContact CA-O 3.42Å; P2-H63 WeakPolarHBondContact CB-O 3.49Å; M3-H63 PolarHBondContact N-O 2.66Å; M3-H63 PolarHBondContact O-N 2.88Å; H63-V100 WeakPolarHBondContact CA-O 3.29Å; H63-V100 VanDerWaalsContact CD2-CB 3.49Å; H63-V100 WeakPolarHBondContact CD2-CB 3.43Å; H63-V100 VanDerWaalsContact CD2-CG2 3.46Å; H63-V100 WeakPolarHBondContact CD2-CG2 3.44Å; H63-M102 HydrophobicContact CB-CG 4.11Å
64	S	98.8	Very high	98.4	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.007	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	143.3	179.3	176	0	0	0	0	110.3	K33 G66 V100 D101 M102	K33-S64 PolarHBondContact NZ-OG 3.33Å; S64-G66 WeakPolarHBondContact CB-O 3.46Å; S64-G66 PolarHBondContact O-N 2.91Å; S64-G66 PolarHBondContact OG-O 2.81Å; S64-V100 PolarHBondContact N-O 3.46Å; S64-D101 WeakPolarHBondContact O-CA 3.32Å; S64-M102 PolarHBondContact O-N 3.46Å
65	I	98.5	Very high	98.4	Very high	41 Å²	41	49.6 Å²	49.6	21%	0.21	28%	0.281	C	S	.	.	S	Bend	trans	-77.4	104.3	168.1	-59.8	164	0	0	0	108.7	M1 K33 M102 A104 V107 F114	M1-I65 HydrophobicContact CB-CD1 4.22Å; K33-I65 PolarHBondContact NZ-O 3.34Å; I65-M102 WeakPolarHBondContact CA-O 3.45Å; I65-M102 HydrophobicContact CG1-CB 4.17Å; I65-A104 HydrophobicContact CD1-CB 4.37Å; I65-A104 HydrophobicContact CG2-CB 3.99Å; I65-V107 HydrophobicContact CD1-CB 3.99Å; I65-V107 HydrophobicContact CD1-CG1 4.25Å; I65-V107 HydrophobicContact CD1-CG2 4.02Å; I65-V107 HydrophobicContact CG1-CB 4.45Å; I65-V107 HydrophobicContact CG1-CG2 3.92Å; I65-F114 HydrophobicContact CD1-CB 3.66Å; I65-F114 HydrophobicContact CD1-CD1 4.29Å; I65-F114 HydrophobicContact CD1-CD2 3.67Å; I65-F114 HydrophobicContact CD1-CE2 4.38Å; I65-F114 HydrophobicContact CD1-CG 3.62Å
66	G	97.9	Very high	98.4	Very high	25 Å²	25	45.4 Å²	45.4	26%	0.258	26%	0.259	S	S	.	.	S	Bend	trans	63.7	-174.7	-169.5	0	0	0	0	0	112.9	S64 I68 D101	S64-G66 WeakPolarHBondContact CB-O 3.46Å; S64-G66 PolarHBondContact O-N 2.91Å; S64-G66 PolarHBondContact OG-O 2.81Å; G66-I68 PolarHBondContact O-N 2.67Å; G66-D101 VanDerWaalsContact CA-OD1 3.22Å; G66-D101 WeakPolarHBondContact CA-OD1 3.22Å; G66-D101 PolarHBondContact N-OD1 3.03Å
67	K	97.8	Very high	98.4	Very high	110 Å²	110	44.7 Å²	44.7	48%	0.478	26%	0.255	S	S	.	.			trans	60.9	19.4	-174.3	-53.1	-63.1	-173.4	179.1	0	113.7	I31 Y76	I31-K67 HydrophobicContact CG2-CB 3.79Å; I31-K67 HydrophobicContact CG2-CG 3.96Å; K67-Y76 VanDerWaalsContact O-CE2 3.26Å; K67-Y76 WeakPolarHBondContact O-CE2 3.3Å; K67-Y76 PolarHBondContact O-OH 3.31Å
68	I	98.4	Very high	98.4	Very high	26 Å²	26	52.9 Å²	52.9	13%	0.133	29%	0.29	C	S	.	.			trans	-106.5	140.5	169.1	-62.1	-59.7	0	0	0	108	G66 Y76 F99 D101	G66-I68 PolarHBondContact O-N 2.67Å; I68-Y76 HydrophobicContact CD1-CE2 4.49Å; I68-F99 HydrophobicContact CD1-CB 4.36Å; I68-F99 HydrophobicContact CD1-CD1 4.33Å; I68-F99 HydrophobicContact CG2-CB 3.95Å; I68-D101 HydrophobicContact CB-CB 3.8Å; I68-D101 HydrophobicContact CG1-CB 4.25Å; I68-D101 HydrophobicContact CG2-CB 4.07Å
69	G	97.6	Very high	98.4	Very high	25 Å²	25	54.7 Å²	54.7	26%	0.258	30%	0.3	S	S	.	.	S	Bend	trans	161.8	165.1	-178.2	0	0	0	0	0	112.7	S71 H72 N73	G69-S71 PolarHBondContact O-N 3.03Å; G69-S71 VanDerWaalsContact O-N 3.16Å; G69-H72 PolarHBondContact O-N 3.06Å; G69-N73 PolarHBondContact N-OD1 3.28Å; G69-N73 VanDerWaalsContact O-CB 3.28Å; G69-N73 WeakPolarHBondContact O-CB 3.07Å; G69-N73 PolarHBondContact O-N 2.98Å; G69-N73 PolarHBondContact O-OD1 2.85Å; G69-N73 VanDerWaalsContact O-OD1 3.07Å
70	G	97.3	Very high	98.4	Very high	56 Å²	56	51.1 Å²	51.1	58%	0.577	28%	0.281	S	S	*	.	H	α-helix	trans	-52.8	-43.2	-167.2	0	0	0	0	0	116	K74	G70-K74 WeakPolarHBondContact O-CG 3.31Å; G70-K74 PolarHBondContact O-N 2.93Å
71	S	97.2	Very high	98.4	Very high	89 Å²	89	51.8 Å²	51.8	62%	0.622	29%	0.286	S	S	*	.	H	α-helix	trans	-72.2	-48.5	177.6	52.1	0	0	0	0	112.3	G69 N73 K74 Q75	G69-S71 PolarHBondContact O-N 3.03Å; G69-S71 VanDerWaalsContact O-N 3.16Å; S71-N73 PolarHBondContact O-N 3.28Å; S71-K74 PolarHBondContact O-N 3.14Å; S71-Q75 PolarHBondContact O-N 3.2Å
72	H	97.7	Very high	98.4	Very high	65 Å²	65	52.7 Å²	52.7	30%	0.301	30%	0.298	S	S	.	.	H	α-helix	trans	-58	-47.4	176.8	-66.5	129.9	0	0	0	111.6	G69 K74 Q75 Y76	G69-H72 PolarHBondContact O-N 3.06Å; H72-K74 VanDerWaalsContact C-N 3.31Å; H72-K74 PolarHBondContact O-N 3.16Å; H72-Q75 WeakPolarHBondContact O-CA 3.46Å; H72-Q75 WeakPolarHBondContact O-CB 3.25Å; H72-Q75 PolarHBondContact O-N 2.85Å; H72-Y76 HydrophobicContact CB-CD2 4.33Å; H72-Y76 HydrophobicContact CB-CE2 3.62Å; H72-Y76 WeakPolarHBondContact O-CD1 3.43Å; H72-Y76 VanDerWaalsContact O-CD2 3.29Å; H72-Y76 WeakPolarHBondContact O-CD2 3.18Å; H72-Y76 PolarHBondContact O-N 3.43Å
73	N	98.7	Very high	98.4	Very high	33 Å²	33	53.1 Å²	53.1	18%	0.176	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-40.4	-178.6	-64.8	3.8	0	0	0	111.2	G69 S71 Q75 Y76 S77 F99	G69-N73 PolarHBondContact N-OD1 3.28Å; G69-N73 VanDerWaalsContact O-CB 3.28Å; G69-N73 WeakPolarHBondContact O-CB 3.07Å; G69-N73 PolarHBondContact O-N 2.98Å; G69-N73 PolarHBondContact O-OD1 2.85Å; G69-N73 VanDerWaalsContact O-OD1 3.07Å; S71-N73 PolarHBondContact O-N 3.28Å; N73-Q75 PolarHBondContact O-N 3.44Å; N73-Y76 PolarHBondContact O-N 2.92Å; N73-S77 WeakPolarHBondContact O-CB 3.23Å; N73-S77 PolarHBondContact O-N 3.18Å; N73-S77 PolarHBondContact O-OG 2.99Å; N73-F99 HydrophobicContact CB-CD1 4.41Å; N73-F99 HydrophobicContact CB-CD2 3.73Å; N73-F99 HydrophobicContact CB-CE2 3.84Å; N73-F99 HydrophobicContact CB-CG 4.02Å; N73-F99 HydrophobicContact CB-CZ 4.24Å; N73-F99 WeakPolarHBondContact ND2-CB 3.28Å; N73-F99 WeakPolarHBondContact O-CZ 3.26Å
74	K	98.6	Very high	98.4	Very high	165 Å²	165	50.6 Å²	50.6	72%	0.717	29%	0.289	S	S	*	.	H	α-helix	trans	-62.2	-42.5	174.4	-73.4	175.7	-177.5	-176.4	0	112.2	G70 S71 H72 K78	G70-K74 WeakPolarHBondContact O-CG 3.31Å; G70-K74 PolarHBondContact O-N 2.93Å; S71-K74 PolarHBondContact O-N 3.14Å; H72-K74 VanDerWaalsContact C-N 3.31Å; H72-K74 PolarHBondContact O-N 3.16Å; K74-K78 PolarHBondContact O-N 3.08Å
75	Q	98.5	Very high	98.4	Very high	97 Å²	97	54.1 Å²	54.1	45%	0.453	31%	0.307	S	S	.	.	H	α-helix	trans	-62	-46.3	175.3	178.6	-174.3	-9.2	0	0	110.9	S71 H72 N73 K78 L79	S71-Q75 PolarHBondContact O-N 3.2Å; H72-Q75 WeakPolarHBondContact O-CA 3.46Å; H72-Q75 WeakPolarHBondContact O-CB 3.25Å; H72-Q75 PolarHBondContact O-N 2.85Å; N73-Q75 PolarHBondContact O-N 3.44Å; Q75-K78 PolarHBondContact O-N 3.29Å; Q75-L79 PolarHBondContact O-N 3Å; Q75-L79 VanDerWaalsContact O-N 3.09Å
76	Y	98.7	Very high	98.4	Very high	1 Å²	1	58.1 Å²	58.1	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-67.6	-37.9	-179.8	-55.2	-24.6	0	0	0	112.2	A30 I31 L62 K67 I68 H72 N73 K78 L79 L80 F99	A30-Y76 HydrophobicContact CB-CD1 4.17Å; A30-Y76 HydrophobicContact CB-CE1 3.98Å; I31-Y76 HydrophobicContact CG1-CE1 3.93Å; I31-Y76 HydrophobicContact CG1-CE2 4.26Å; L62-Y76 HydrophobicContact CD2-CD2 3.79Å; L62-Y76 HydrophobicContact CD2-CE2 4.45Å; L62-Y76 HydrophobicContact CD2-CG 4.19Å; K67-Y76 VanDerWaalsContact O-CE2 3.26Å; K67-Y76 WeakPolarHBondContact O-CE2 3.3Å; K67-Y76 PolarHBondContact O-OH 3.31Å; I68-Y76 HydrophobicContact CD1-CE2 4.49Å; H72-Y76 HydrophobicContact CB-CD2 4.33Å; H72-Y76 HydrophobicContact CB-CE2 3.62Å; H72-Y76 WeakPolarHBondContact O-CD1 3.43Å; H72-Y76 VanDerWaalsContact O-CD2 3.29Å; H72-Y76 WeakPolarHBondContact O-CD2 3.18Å; H72-Y76 PolarHBondContact O-N 3.43Å; N73-Y76 PolarHBondContact O-N 2.92Å; Y76-K78 VanDerWaalsContact C-N 3.35Å; Y76-K78 PolarHBondContact O-N 2.93Å; Y76-L79 PolarHBondContact O-N 2.95Å; Y76-L80 VanDerWaalsContact O-CB 3.32Å; Y76-L80 WeakPolarHBondContact O-CB 3.47Å; Y76-L80 WeakPolarHBondContact O-CG 3.19Å; Y76-L80 PolarHBondContact O-N 3.02Å; Y76-F99 HydrophobicContact CD2-CD1 4.38Å; Y76-F99 HydrophobicContact CD2-CE1 4.07Å; Y76-F99 HydrophobicContact CG-CE1 4.39Å
77	S	98.8	Very high	98.4	Very high	41 Å²	41	58.5 Å²	58.5	29%	0.287	32%	0.318	S	S	.	.	H	α-helix	trans	-58.4	-46.7	173.3	-65.5	0	0	0	0	111.4	N73 L79 C81 F99	N73-S77 WeakPolarHBondContact O-CB 3.23Å; N73-S77 PolarHBondContact O-N 3.18Å; N73-S77 PolarHBondContact O-OG 2.99Å; S77-L79 VanDerWaalsContact C-N 3.34Å; S77-L79 PolarHBondContact O-N 2.82Å; S77-C81 VanDerWaalsContact O-CB 3.23Å; S77-C81 WeakPolarHBondContact O-CB 3.39Å; S77-C81 PolarHBondContact O-N 3.24Å; S77-C81 PolarHBondContact O-SG 3.02Å; S77-F99 WeakPolarHBondContact OG-CE2 3.35Å; S77-F99 WeakPolarHBondContact OG-CZ 3.45Å
78	K	98.7	Very high	98.4	Very high	174 Å²	174	53.6 Å²	53.6	76%	0.757	30%	0.297	S	S	*	.	H	α-helix	trans	-60.5	-44.7	177.7	-174.9	179.1	179	-178.5	0	111.7	K74 Q75 Y76 G82	K74-K78 PolarHBondContact O-N 3.08Å; Q75-K78 PolarHBondContact O-N 3.29Å; Y76-K78 VanDerWaalsContact C-N 3.35Å; Y76-K78 PolarHBondContact O-N 2.93Å; K78-G82 PolarHBondContact O-N 2.99Å; K78-G82 VanDerWaalsContact O-N 3.08Å
79	L	98.6	Very high	98.4	Very high	38 Å²	38	57.1 Å²	57.1	20%	0.199	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-53	179.6	179.9	152.2	0	0	0	111.7	D26 L27 A30 Q75 Y76 S77 G82 L83	D26-L79 HydrophobicContact CB-CD1 4.13Å; D26-L79 HydrophobicContact CB-CD2 4.37Å; D26-L79 HydrophobicContact CB-CG 4.47Å; L27-L79 HydrophobicContact CD2-CD2 4.27Å; A30-L79 HydrophobicContact CB-CD1 3.65Å; Q75-L79 PolarHBondContact O-N 3Å; Q75-L79 VanDerWaalsContact O-N 3.09Å; Y76-L79 PolarHBondContact O-N 2.95Å; S77-L79 VanDerWaalsContact C-N 3.34Å; S77-L79 PolarHBondContact O-N 2.82Å; L79-G82 PolarHBondContact O-N 3.18Å; L79-L83 HydrophobicContact CD2-CD1 3.76Å; L79-L83 PolarHBondContact O-N 3.32Å
80	L	98.8	Very high	98.5	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-68.9	-43.3	-175.6	-69.5	174.1	0	0	0	112	L4 L27 L62 Y76 G82 L83 L84 I97	L4-L80 HydrophobicContact CD1-CD1 4Å; L4-L80 HydrophobicContact CD1-CD2 4.08Å; L4-L80 HydrophobicContact CD2-CD2 3.65Å; L27-L80 HydrophobicContact CD2-CD2 4.16Å; L27-L80 HydrophobicContact CG-CD2 4.49Å; L62-L80 HydrophobicContact CD2-CD1 4.44Å; Y76-L80 VanDerWaalsContact O-CB 3.32Å; Y76-L80 WeakPolarHBondContact O-CB 3.47Å; Y76-L80 WeakPolarHBondContact O-CG 3.19Å; Y76-L80 PolarHBondContact O-N 3.02Å; L80-G82 VanDerWaalsContact C-N 3.26Å; L80-G82 PolarHBondContact O-N 3.25Å; L80-L83 PolarHBondContact O-N 3.01Å; L80-L84 WeakPolarHBondContact O-CB 3.18Å; L80-L84 VanDerWaalsContact O-CG 3.26Å; L80-L84 WeakPolarHBondContact O-CG 3.33Å; L80-L84 PolarHBondContact O-N 3.39Å; L80-I97 HydrophobicContact CB-CD1 3.75Å; L80-I97 HydrophobicContact CD1-CD1 4Å; L80-I97 HydrophobicContact CD1-CG2 4.19Å
81	C	98.8	Very high	98.5	Very high	20 Å²	20	54.9 Å²	54.9	14%	0.135	30%	0.298	C	S	.	.	H	α-helix	trans	-62.2	-36.6	173.6	-66.8	0	0	0	0	111.5	S77 N85 P92 I95	S77-C81 VanDerWaalsContact O-CB 3.23Å; S77-C81 WeakPolarHBondContact O-CB 3.39Å; S77-C81 PolarHBondContact O-N 3.24Å; S77-C81 PolarHBondContact O-SG 3.02Å; C81-N85 WeakPolarHBondContact O-CB 3.32Å; C81-N85 PolarHBondContact O-N 2.86Å; C81-P92 HydrophobicContact CB-CB 4.06Å; C81-P92 HydrophobicContact CB-CG 4.49Å; C81-I95 HydrophobicContact CB-CD1 4.16Å
82	G	98.8	Very high	98.6	Very high	38 Å²	38	54 Å²	54	39%	0.392	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-46.9	174.5	0	0	0	0	0	112.8	K78 L79 L80 N85 K86	K78-G82 PolarHBondContact O-N 2.99Å; K78-G82 VanDerWaalsContact O-N 3.08Å; L79-G82 PolarHBondContact O-N 3.18Å; L80-G82 VanDerWaalsContact C-N 3.26Å; L80-G82 PolarHBondContact O-N 3.25Å; G82-N85 PolarHBondContact O-N 3.38Å; G82-K86 VanDerWaalsContact O-CB 3.29Å; G82-K86 WeakPolarHBondContact O-CB 3.47Å; G82-K86 PolarHBondContact O-N 2.65Å
83	L	98.6	Very high	98.7	Very high	9 Å²	9	56.7 Å²	56.7	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-63.1	-46.3	177.2	-74.6	173	0	0	0	112.2	L19 E22 A23 D26 L79 L80 N85 K86 H87	L19-L83 HydrophobicContact CD1-CB 4.38Å; E22-L83 HydrophobicContact CB-CD2 4.39Å; E22-L83 HydrophobicContact CG-CD2 3.71Å; A23-L83 HydrophobicContact CB-CD1 4.15Å; D26-L83 HydrophobicContact CB-CD1 4.49Å; L79-L83 HydrophobicContact CD2-CD1 3.76Å; L79-L83 PolarHBondContact O-N 3.32Å; L80-L83 PolarHBondContact O-N 3.01Å; L83-N85 VanDerWaalsContact C-N 3.32Å; L83-N85 PolarHBondContact O-N 2.87Å; L83-K86 PolarHBondContact O-N 2.92Å; L83-H87 WeakPolarHBondContact O-CB 3.4Å; L83-H87 PolarHBondContact O-CD2 2.8Å; L83-H87 PolarHBondContact O-N 2.7Å
84	L	98.8	Very high	98.7	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-68.1	-33.8	-179.7	-65.2	174.9	0	0	0	111.8	V6 A58 L80 L88 S89 I95	V6-L84 HydrophobicContact CG1-CD1 4.41Å; V6-L84 HydrophobicContact CG1-CD2 3.81Å; V6-L84 HydrophobicContact CG2-CD2 4.22Å; A58-L84 HydrophobicContact CB-CD1 4.25Å; L80-L84 WeakPolarHBondContact O-CB 3.18Å; L80-L84 VanDerWaalsContact O-CG 3.26Å; L80-L84 WeakPolarHBondContact O-CG 3.33Å; L80-L84 PolarHBondContact O-N 3.39Å; L84-L88 HydrophobicContact CD2-CD1 3.75Å; L84-L88 CarbonylContact O-C 3.53Å; L84-L88 WeakPolarHBondContact O-CA 3.4Å; L84-L88 VanDerWaalsContact O-CB 3.28Å; L84-L88 WeakPolarHBondContact O-CB 3.42Å; L84-L88 PolarHBondContact O-N 3.01Å; L84-S89 PolarHBondContact O-N 2.81Å; L84-I95 HydrophobicContact CB-CD1 3.84Å; L84-I95 HydrophobicContact CD1-CD1 4.05Å; L84-I95 HydrophobicContact CD1-CG2 4.03Å
85	N	98.8	Very high	98.7	Very high	74 Å²	74	49.3 Å²	49.3	40%	0.396	27%	0.272	S	S	.	.	H	α-helix	trans	-66.8	-49.2	171.8	-176.7	-107	0	0	0	111.7	C81 G82 L83 H87 S89 I90	C81-N85 WeakPolarHBondContact O-CB 3.32Å; C81-N85 PolarHBondContact O-N 2.86Å; G82-N85 PolarHBondContact O-N 3.38Å; L83-N85 VanDerWaalsContact C-N 3.32Å; L83-N85 PolarHBondContact O-N 2.87Å; N85-H87 PolarHBondContact O-N 2.77Å; N85-S89 VanDerWaalsContact O-CA 3.24Å; N85-S89 WeakPolarHBondContact O-CA 3.32Å; N85-S89 PolarHBondContact O-N 3.18Å; N85-I90 VanDerWaalsContact CA-O 3.3Å; N85-I90 WeakPolarHBondContact CA-O 3.33Å; N85-I90 WeakPolarHBondContact CB-O 3.42Å; N85-I90 PolarHBondContact ND2-O 3.46Å
86	K	98.5	Very high	98.7	Very high	126 Å²	126	51.8 Å²	51.8	55%	0.548	28%	0.279	S	S	.	.	H	α-helix	trans	-57.4	-47.1	179.9	177.9	-170.9	176.4	-166.1	0	112.5	E22 G82 L83	E22-K86 IonicContact OE1-NZ 2.67Å; E22-K86 PolarHBondContact OE1-NZ 3.25Å; E22-K86 IonicContact OE2-NZ 2.81Å; E22-K86 PolarHBondContact OE2-NZ 3.29Å; G82-K86 VanDerWaalsContact O-CB 3.29Å; G82-K86 WeakPolarHBondContact O-CB 3.47Å; G82-K86 PolarHBondContact O-N 2.65Å; L83-K86 PolarHBondContact O-N 2.92Å
87	H	98.6	Very high	98.7	Very high	33 Å²	33	52.9 Å²	52.9	15%	0.153	28%	0.284	C	S	.	.	H	α-helix	trans	-94.8	-32.8	-170.2	-73.2	-72.3	0	0	0	114.1	P16 L19 E22 L83 N85	P16-H87 HydrophobicContact CG-CB 3.88Å; P16-H87 WeakPolarHBondContact CG-ND1 3.42Å; L19-H87 HydrophobicContact CB-CB 4.29Å; L19-H87 HydrophobicContact CD1-CB 4.1Å; L19-H87 HydrophobicContact CD2-CB 4.4Å; L19-H87 HydrophobicContact CG-CB 4.49Å; E22-H87 IonicContact OE2-CD2 3.88Å; E22-H87 IonicContact OE2-CE1 3.27Å; E22-H87 PolarHBondContact OE2-CE1 3.3Å; E22-H87 VanDerWaalsContact OE2-CE1 3.27Å; E22-H87 IonicContact OE2-NE2 2.66Å; E22-H87 PolarHBondContact OE2-NE2 3.48Å; L83-H87 WeakPolarHBondContact O-CB 3.4Å; L83-H87 PolarHBondContact O-CD2 2.8Å; L83-H87 PolarHBondContact O-N 2.7Å; N85-H87 PolarHBondContact O-N 2.77Å
88	L	98.5	Very high	98.7	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-115.5	1.5	-172.8	-52	-177.4	0	0	0	112.9	T8 V10 V15 L19 L84 I90	T8-L88 HydrophobicContact CG2-CD1 4.27Å; V10-L88 HydrophobicContact CG1-CB 4.5Å; V10-L88 HydrophobicContact CG1-CD2 4.35Å; V10-L88 HydrophobicContact CG2-CB 4.27Å; V15-L88 HydrophobicContact CB-CD2 4.32Å; V15-L88 HydrophobicContact CG1-CD2 4.31Å; V15-L88 HydrophobicContact CG2-CD2 3.96Å; L19-L88 HydrophobicContact CD2-CD1 3.97Å; L19-L88 HydrophobicContact CD2-CD2 3.98Å; L19-L88 HydrophobicContact CD2-CG 4Å; L84-L88 HydrophobicContact CD2-CD1 3.75Å; L84-L88 CarbonylContact O-C 3.53Å; L84-L88 WeakPolarHBondContact O-CA 3.4Å; L84-L88 VanDerWaalsContact O-CB 3.28Å; L84-L88 WeakPolarHBondContact O-CB 3.42Å; L84-L88 PolarHBondContact O-N 3.01Å; L88-I90 HydrophobicContact CB-CD1 3.78Å; L88-I90 HydrophobicContact CB-CG1 3.83Å; L88-I90 HydrophobicContact CD1-CD1 3.92Å; L88-I90 PolarHBondContact O-N 3.33Å; L88-I90 VanDerWaalsContact O-N 3.1Å
89	S	98.4	Very high	98.7	Very high	99 Å²	99	50.1 Å²	50.1	69%	0.692	27%	0.273	S	S	*	.			trans	55.6	27	-177.6	-58.4	0	0	0	0	113.7	L84 N85	L84-S89 PolarHBondContact O-N 2.81Å; N85-S89 VanDerWaalsContact O-CA 3.24Å; N85-S89 WeakPolarHBondContact O-CA 3.32Å; N85-S89 PolarHBondContact O-N 3.18Å
90	I	98.8	Very high	98.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.278	C	S	.	.			trans	-83.2	126.7	177.5	-57.5	170.9	0	0	0	108.7	T8 V10 P56 A58 N85 L88 R94 I95	T8-I90 WeakPolarHBondContact OG1-CD1 3.36Å; V10-I90 HydrophobicContact CG2-CD1 4.04Å; V10-I90 HydrophobicContact CG2-CG1 3.97Å; P56-I90 HydrophobicContact CB-CG1 3.95Å; A58-I90 HydrophobicContact CB-CD1 3.92Å; N85-I90 VanDerWaalsContact CA-O 3.3Å; N85-I90 WeakPolarHBondContact CA-O 3.33Å; N85-I90 WeakPolarHBondContact CB-O 3.42Å; N85-I90 PolarHBondContact ND2-O 3.46Å; L88-I90 HydrophobicContact CB-CD1 3.78Å; L88-I90 HydrophobicContact CB-CG1 3.83Å; L88-I90 HydrophobicContact CD1-CD1 3.92Å; L88-I90 PolarHBondContact O-N 3.33Å; L88-I90 VanDerWaalsContact O-N 3.1Å; I90-R94 HydrophobicContact CG2-CB 4.42Å; I90-I95 HydrophobicContact CB-CD1 4.29Å; I90-I95 HydrophobicContact CB-CG1 4.47Å; I90-I95 HydrophobicContact CG2-CD1 3.86Å; I90-I95 HydrophobicContact CG2-CG1 3.54Å
91	A	98.6	Very high	98.7	Very high	35 Å²	35	54.8 Å²	54.8	29%	0.289	30%	0.3	S	S	.	.			trans	-67.2	135.2	176.5	0	0	0	0	0	110.6	D93 R94	A91-D93 WeakPolarHBondContact CB-OD1 3.22Å; A91-D93 PolarHBondContact O-N 2.83Å; A91-D93 VanDerWaalsContact O-N 3.1Å; A91-R94 HydrophobicContact CB-CG 4.44Å; A91-R94 PolarHBondContact O-N 3.09Å
92	P	98.7	Very high	98.7	Very high	71 Å²	71	56.1 Å²	56.1	46%	0.461	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-57	-27.2	-175.7	-30.2	37.2	0	0	0	115.8	C81 R94	C81-P92 HydrophobicContact CB-CB 4.06Å; C81-P92 HydrophobicContact CB-CG 4.49Å; P92-R94 PolarHBondContact O-N 3.49Å
93	D	98.6	Very high	98.7	Very high	121 Å²	121	59 Å²	59	65%	0.647	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-74.7	-7.3	176.5	65.8	-38.9	0	0	0	113.5	F50 A91	F50-D93 WeakPolarHBondContact CE1-O 3.46Å; F50-D93 WeakPolarHBondContact CZ-O 3.47Å; A91-D93 WeakPolarHBondContact CB-OD1 3.22Å; A91-D93 PolarHBondContact O-N 2.83Å; A91-D93 VanDerWaalsContact O-N 3.1Å
94	R	98.8	Very high	98.7	Very high	28 Å²	28	59.8 Å²	59.8	11%	0.106	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-109.2	22.9	176.4	-58.4	-175.7	58.1	73.7	-3.4	113	F50 K53 D55 P56 C57 A58 I90 A91 P92	F50-R94 HydrophobicContact CG-CB 4.39Å; F50-R94 PolarHBondContact O-NH1 2.9Å; F50-R94 PolarHBondContact O-NH2 2.85Å; K53-R94 PolarHBondContact O-NH2 3.01Å; D55-R94 PolarHBondContact O-NH2 2.93Å; P56-R94 WeakPolarHBondContact O-CD 3.49Å; P56-R94 PolarHBondContact O-NE 3.28Å; C57-R94 WeakPolarHBondContact CA-O 3.26Å; C57-R94 HydrophobicContact CB-CB 4.11Å; C57-R94 WeakPolarHBondContact CB-O 3.45Å; A58-R94 PolarHBondContact N-O 2.91Å; A58-R94 VanDerWaalsContact N-O 3.11Å; I90-R94 HydrophobicContact CG2-CB 4.42Å; A91-R94 HydrophobicContact CB-CG 4.44Å; A91-R94 PolarHBondContact O-N 3.09Å; P92-R94 PolarHBondContact O-N 3.49Å
95	I	98.9	Very high	98.6	Very high	14 Å²	14	61.9 Å²	61.9	7%	0.072	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.4	-178.4	-55	176.3	0	0	0	109.1	A58 C81 L84 I90 I97	A58-I95 HydrophobicContact CB-CG1 4.45Å; A58-I95 HydrophobicContact CB-CG2 4.4Å; A58-I95 WeakPolarHBondContact O-CA 3.49Å; C81-I95 HydrophobicContact CB-CD1 4.16Å; L84-I95 HydrophobicContact CB-CD1 3.84Å; L84-I95 HydrophobicContact CD1-CD1 4.05Å; L84-I95 HydrophobicContact CD1-CG2 4.03Å; I90-I95 HydrophobicContact CB-CD1 4.29Å; I90-I95 HydrophobicContact CB-CG1 4.47Å; I90-I95 HydrophobicContact CG2-CD1 3.86Å; I90-I95 HydrophobicContact CG2-CG1 3.54Å; I95-I97 HydrophobicContact CG2-CD1 4.41Å; I95-I97 HydrophobicContact CG2-CG1 4Å
96	Y	98.9	Very high	98.6	Very high	149 Å²	149	64.2 Å²	64.2	58%	0.584	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	144	162.7	-74.5	-29.9	0	0	0	111	F50 A58 L59 C60	F50-Y96 HydrophobicContact CE2-CD1 4.1Å; F50-Y96 AromaticContact CE2-CD2 3.69Å; F50-Y96 HydrophobicContact CE2-CD2 3.69Å; F50-Y96 HydrophobicContact CE2-CE1 4.09Å; F50-Y96 AromaticContact CE2-CE2 3.68Å; F50-Y96 HydrophobicContact CE2-CE2 3.68Å; F50-Y96 AromaticContact CE2-CG 3.91Å; F50-Y96 HydrophobicContact CE2-CG 3.91Å; F50-Y96 AromaticContact CE2-CZ 3.89Å; F50-Y96 HydrophobicContact CZ-CD1 4.28Å; F50-Y96 HydrophobicContact CZ-CD2 4.27Å; F50-Y96 AromaticContact CZ-CE1 3.84Å; F50-Y96 HydrophobicContact CZ-CE1 3.84Å; F50-Y96 AromaticContact CZ-CE2 3.82Å; F50-Y96 HydrophobicContact CZ-CE2 3.82Å; F50-Y96 HydrophobicContact CZ-CG 4.49Å; F50-Y96 AromaticContact CZ-CZ 3.59Å; A58-Y96 PolarHBondContact O-N 2.88Å; A58-Y96 VanDerWaalsContact O-N 3.11Å; L59-Y96 HydrophobicContact CD2-CD2 4.08Å; L59-Y96 HydrophobicContact CD2-CG 4.48Å; C60-Y96 WeakPolarHBondContact CB-O 3.45Å; C60-Y96 PolarHBondContact N-O 3.1Å
97	I	98.9	Very high	98.6	Very high	24 Å²	24	58.9 Å²	58.9	12%	0.123	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	114.4	177.2	-50.9	165.8	0	0	0	108	C60 L80 I95 F99	C60-I97 HydrophobicContact CB-CB 4.38Å; C60-I97 HydrophobicContact CB-CG1 4.02Å; C60-I97 HydrophobicContact CB-CG2 4.27Å; C60-I97 WeakPolarHBondContact O-CA 3.48Å; L80-I97 HydrophobicContact CB-CD1 3.75Å; L80-I97 HydrophobicContact CD1-CD1 4Å; L80-I97 HydrophobicContact CD1-CG2 4.19Å; I95-I97 HydrophobicContact CG2-CD1 4.41Å; I95-I97 HydrophobicContact CG2-CG1 4Å; I97-F99 HydrophobicContact CB-CE2 4.03Å; I97-F99 HydrophobicContact CB-CZ 3.97Å; I97-F99 HydrophobicContact CD1-CZ 4.37Å; I97-F99 HydrophobicContact CG2-CD1 4.21Å; I97-F99 HydrophobicContact CG2-CD2 4.4Å; I97-F99 HydrophobicContact CG2-CE1 3.69Å; I97-F99 HydrophobicContact CG2-CE2 3.92Å; I97-F99 HydrophobicContact CG2-CZ 3.54Å
98	N	98.9	Very high	98.6	Very high	113 Å²	113	60.3 Å²	60.3	60%	0.604	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.2	170.2	-68.8	-24.7	0	0	0	109.1	C60 S61 L62	C60-N98 PolarHBondContact O-N 3.27Å; S61-N98 CarbonylContact C-O 3.57Å; S61-N98 VanDerWaalsContact CA-O 3.25Å; S61-N98 WeakPolarHBondContact CA-O 3.11Å; L62-N98 PolarHBondContact N-O 3.37Å
99	F	98.8	Very high	98.6	Very high	44 Å²	44	66.1 Å²	66.1	19%	0.193	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.2	174.9	-62.3	-78.2	0	0	0	109.3	L62 I68 N73 Y76 S77 I97	L62-F99 HydrophobicContact CB-CD1 3.96Å; L62-F99 HydrophobicContact CB-CE1 4.2Å; L62-F99 HydrophobicContact CD2-CD1 4Å; L62-F99 HydrophobicContact CD2-CE1 3.91Å; L62-F99 HydrophobicContact CG-CD1 4.45Å; I68-F99 HydrophobicContact CD1-CB 4.36Å; I68-F99 HydrophobicContact CD1-CD1 4.33Å; I68-F99 HydrophobicContact CG2-CB 3.95Å; N73-F99 HydrophobicContact CB-CD1 4.41Å; N73-F99 HydrophobicContact CB-CD2 3.73Å; N73-F99 HydrophobicContact CB-CE2 3.84Å; N73-F99 HydrophobicContact CB-CG 4.02Å; N73-F99 HydrophobicContact CB-CZ 4.24Å; N73-F99 WeakPolarHBondContact ND2-CB 3.28Å; N73-F99 WeakPolarHBondContact O-CZ 3.26Å; Y76-F99 HydrophobicContact CD2-CD1 4.38Å; Y76-F99 HydrophobicContact CD2-CE1 4.07Å; Y76-F99 HydrophobicContact CG-CE1 4.39Å; S77-F99 WeakPolarHBondContact OG-CE2 3.35Å; S77-F99 WeakPolarHBondContact OG-CZ 3.45Å; I97-F99 HydrophobicContact CB-CE2 4.03Å; I97-F99 HydrophobicContact CB-CZ 3.97Å; I97-F99 HydrophobicContact CD1-CZ 4.37Å; I97-F99 HydrophobicContact CG2-CD1 4.21Å; I97-F99 HydrophobicContact CG2-CD2 4.4Å; I97-F99 HydrophobicContact CG2-CE1 3.69Å; I97-F99 HydrophobicContact CG2-CE2 3.92Å; I97-F99 HydrophobicContact CG2-CZ 3.54Å
100	V	98.7	Very high	98.5	Very high	51 Å²	51	66.7 Å²	66.7	31%	0.309	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	113.2	-175.7	-172	0	0	0	0	109.1	L62 H63 S64 M102	L62-V100 PolarHBondContact O-N 2.89Å; H63-V100 WeakPolarHBondContact CA-O 3.29Å; H63-V100 VanDerWaalsContact CD2-CB 3.49Å; H63-V100 WeakPolarHBondContact CD2-CB 3.43Å; H63-V100 VanDerWaalsContact CD2-CG2 3.46Å; H63-V100 WeakPolarHBondContact CD2-CG2 3.44Å; S64-V100 PolarHBondContact N-O 3.46Å; V100-M102 HydrophobicContact CG1-CG 4.46Å; V100-M102 HydrophobicContact CG1-SD 3.68Å
101	D	98.6	Very high	98.5	Very high	89 Å²	89	75 Å²	75	48%	0.476	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.2	169.6	-156	-15.3	0	0	0	108.8	S64 G66 I68	S64-D101 WeakPolarHBondContact O-CA 3.32Å; G66-D101 VanDerWaalsContact CA-OD1 3.22Å; G66-D101 WeakPolarHBondContact CA-OD1 3.22Å; G66-D101 PolarHBondContact N-OD1 3.03Å; I68-D101 HydrophobicContact CB-CB 3.8Å; I68-D101 HydrophobicContact CG1-CB 4.25Å; I68-D101 HydrophobicContact CG2-CB 4.07Å
102	M	98.5	Very high	98.5	Very high	49 Å²	49	77.6 Å²	77.6	24%	0.241	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-101.6	133.9	-175.8	-63.5	-66.4	-64.2	0	0	110	H63 S64 I65 V100 V107	H63-M102 HydrophobicContact CB-CG 4.11Å; S64-M102 PolarHBondContact O-N 3.46Å; I65-M102 WeakPolarHBondContact CA-O 3.45Å; I65-M102 HydrophobicContact CG1-CB 4.17Å; V100-M102 HydrophobicContact CG1-CG 4.46Å; V100-M102 HydrophobicContact CG1-SD 3.68Å; M102-V107 HydrophobicContact CB-CG2 3.75Å; M102-V107 HydrophobicContact CE-CG2 3.95Å; M102-V107 HydrophobicContact CG-CG2 4.28Å
103	D	98.3	Very high	98.4	Very high	99 Å²	99	77 Å²	77	53%	0.529	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-65.8	140.3	164.7	-166.6	-67.1	0	0	0	110	A105 N106	D103-A105 VanDerWaalsContact C-N 3.3Å; D103-A105 PolarHBondContact O-N 3.38Å; D103-A105 WeakPolarHBondContact OD1-CB 3.24Å; D103-A105 PolarHBondContact OD1-N 2.77Å; D103-N106 HydrophobicContact CB-CB 4.26Å; D103-N106 PolarHBondContact O-N 3.17Å
104	A	98.3	Very high	98.3	Very high	25 Å²	25	74.6 Å²	74.6	21%	0.207	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-61.2	-36.9	-179.2	0	0	0	0	0	112.7	I65 N106 V107 F114 G115	I65-A104 HydrophobicContact CD1-CB 4.37Å; I65-A104 HydrophobicContact CG2-CB 3.99Å; A104-N106 PolarHBondContact O-N 3.16Å; A104-V107 PolarHBondContact O-N 3.07Å; A104-F114 HydrophobicContact CB-CB 3.92Å; A104-F114 WeakPolarHBondContact O-CB 3.29Å; A104-F114 PolarHBondContact O-N 3.2Å; A104-G115 VanDerWaalsContact C-N 3.33Å; A104-G115 PolarHBondContact O-N 2.98Å; A104-G115 VanDerWaalsContact O-N 3.16Å
105	A	98.3	Very high	98	Very high	49 Å²	49	77.7 Å²	77.7	41%	0.405	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-67.6	-19.4	176.4	0	0	0	0	0	112.4	D103 T113	D103-A105 VanDerWaalsContact C-N 3.3Å; D103-A105 PolarHBondContact O-N 3.38Å; D103-A105 WeakPolarHBondContact OD1-CB 3.24Å; D103-A105 PolarHBondContact OD1-N 2.77Å; A105-T113 VanDerWaalsContact O-CG2 3.29Å; A105-T113 WeakPolarHBondContact O-CG2 3.49Å
106	N	98.3	Very high	97.9	Very high	122 Å²	122	80.9 Å²	80.9	65%	0.652	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-95	12.5	-179.8	-67.3	-26.1	0	0	0	113.4	D103 A104	D103-N106 HydrophobicContact CB-CB 4.26Å; D103-N106 PolarHBondContact O-N 3.17Å; A104-N106 PolarHBondContact O-N 3.16Å
107	V	98.6	Very high	97.9	Very high	15 Å²	15	77.3 Å²	77.3	9%	0.091	46%	0.456	C	S	.	.			trans	-127	109.1	178.5	-179.7	0	0	0	0	109.7	M1 I65 M102 A104 T113 F114	M1-V107 HydrophobicContact CB-CG1 4.13Å; M1-V107 HydrophobicContact CG-CG1 3.73Å; I65-V107 HydrophobicContact CD1-CB 3.99Å; I65-V107 HydrophobicContact CD1-CG1 4.25Å; I65-V107 HydrophobicContact CD1-CG2 4.02Å; I65-V107 HydrophobicContact CG1-CB 4.45Å; I65-V107 HydrophobicContact CG1-CG2 3.92Å; M102-V107 HydrophobicContact CB-CG2 3.75Å; M102-V107 HydrophobicContact CE-CG2 3.95Å; M102-V107 HydrophobicContact CG-CG2 4.28Å; A104-V107 PolarHBondContact O-N 3.07Å; V107-T113 VanDerWaalsContact O-CA 3.31Å; V107-T113 WeakPolarHBondContact O-CA 3.45Å; V107-F114 HydrophobicContact CB-CD2 3.96Å; V107-F114 HydrophobicContact CG1-CD2 3.6Å; V107-F114 HydrophobicContact CG1-CE2 3.78Å; V107-F114 PolarHBondContact O-N 3.33Å; V107-F114 VanDerWaalsContact O-N 3.14Å
108	G	98.3	Very high	97.8	Very high	62 Å²	62	80.2 Å²	80.2	64%	0.639	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	136.8	173.6	0	0	0	0	0	112.4	T112	G108-T112 CarbonylContact C-O 3.57Å; G108-T112 VanDerWaalsContact CA-O 3.27Å; G108-T112 WeakPolarHBondContact CA-O 3.35Å
109	W	97.9	Very high	97.8	Very high	129 Å²	129	78.3 Å²	78.3	49%	0.489	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	140.6	170.7	173.4	64.1	0	0	0	110.1	Y37 N111 T112 F114	Y37-W109 AromaticContact CE1-CH2 3.71Å; Y37-W109 HydrophobicContact CE1-CH2 3.71Å; Y37-W109 AromaticContact CE1-CZ2 3.88Å; Y37-W109 HydrophobicContact CE1-CZ2 3.88Å; Y37-W109 HydrophobicContact CE1-CZ3 4.15Å; W109-N111 PolarHBondContact O-N 3.26Å; W109-T112 PolarHBondContact N-O 3.06Å; W109-T112 CarbonylContact O-C 3.44Å; W109-T112 WeakPolarHBondContact O-CG2 3.35Å; W109-T112 PolarHBondContact O-N 3.48Å; W109-T112 VanDerWaalsContact O-N 3.13Å; W109-F114 HydrophobicContact CB-CD2 4.13Å; W109-F114 HydrophobicContact CB-CE2 3.41Å; W109-F114 VanDerWaalsContact CB-CE2 3.41Å; W109-F114 HydrophobicContact CB-CZ 3.85Å; W109-F114 HydrophobicContact CD2-CE1 4.37Å; W109-F114 HydrophobicContact CD2-CE2 4.3Å; W109-F114 AromaticContact CD2-CZ 3.78Å; W109-F114 HydrophobicContact CD2-CZ 3.78Å; W109-F114 HydrophobicContact CE3-CD1 4.49Å; W109-F114 AromaticContact CE3-CE1 3.73Å; W109-F114 HydrophobicContact CE3-CE1 3.73Å; W109-F114 HydrophobicContact CE3-CE2 4.27Å; W109-F114 AromaticContact CE3-CZ 3.6Å; W109-F114 HydrophobicContact CE3-CZ 3.6Å; W109-F114 AromaticContact CG-CE2 3.99Å; W109-F114 HydrophobicContact CG-CE2 3.99Å; W109-F114 AromaticContact CG-CZ 3.9Å; W109-F114 HydrophobicContact CG-CZ 3.9Å; W109-F114 HydrophobicContact CZ3-CE1 4.21Å; W109-F114 HydrophobicContact CZ3-CZ 4.41Å
110	N	97.3	Very high	97.7	Very high	112 Å²	112	80.4 Å²	80.4	60%	0.599	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	51.9	173.6	-167.8	34.4	0	0	0	113.8	T112	N110-T112 PolarHBondContact O-N 2.85Å
111	N	97.9	Very high	97.6	Very high	174 Å²	174	82.4 Å²	82.4	93%	0.93	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	15.6	179.9	-50.6	-59.4	0	0	0	115.8	W109	W109-N111 PolarHBondContact O-N 3.26Å
112	T	98.2	Very high	97.6	Very high	90 Å²	90	81.9 Å²	81.9	55%	0.552	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.1	-166.3	174.6	-171.2	0	0	0	0	110.5	G108 W109 N110	G108-T112 CarbonylContact C-O 3.57Å; G108-T112 VanDerWaalsContact CA-O 3.27Å; G108-T112 WeakPolarHBondContact CA-O 3.35Å; W109-T112 PolarHBondContact N-O 3.06Å; W109-T112 CarbonylContact O-C 3.44Å; W109-T112 WeakPolarHBondContact O-CG2 3.35Å; W109-T112 PolarHBondContact O-N 3.48Å; W109-T112 VanDerWaalsContact O-N 3.13Å; N110-T112 PolarHBondContact O-N 2.85Å
113	T	98.2	Very high	97.5	Very high	59 Å²	59	84.5 Å²	84.5	36%	0.362	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	168.7	168.4	52.4	0	0	0	0	112	A105 V107 G115	A105-T113 VanDerWaalsContact O-CG2 3.29Å; A105-T113 WeakPolarHBondContact O-CG2 3.49Å; V107-T113 VanDerWaalsContact O-CA 3.31Å; V107-T113 WeakPolarHBondContact O-CA 3.45Å; T113-G115 VanDerWaalsContact C-N 3.34Å; T113-G115 PolarHBondContact OG1-O 3.32Å
114	F	96.9	Very high	97.4	Very high	69 Å²	69	83.3 Å²	83.3	30%	0.303	52%	0.516	S	S	.	.			trans	-79	-17.3	172.1	-80.5	-86.1	0	0	0	113.7	M1 I65 A104 V107 W109	M1-F114 HydrophobicContact CB-CE2 4.02Å; M1-F114 HydrophobicContact CB-CZ 4.3Å; M1-F114 HydrophobicContact CG-CE2 4.34Å; I65-F114 HydrophobicContact CD1-CB 3.66Å; I65-F114 HydrophobicContact CD1-CD1 4.29Å; I65-F114 HydrophobicContact CD1-CD2 3.67Å; I65-F114 HydrophobicContact CD1-CE2 4.38Å; I65-F114 HydrophobicContact CD1-CG 3.62Å; A104-F114 HydrophobicContact CB-CB 3.92Å; A104-F114 WeakPolarHBondContact O-CB 3.29Å; A104-F114 PolarHBondContact O-N 3.2Å; V107-F114 HydrophobicContact CB-CD2 3.96Å; V107-F114 HydrophobicContact CG1-CD2 3.6Å; V107-F114 HydrophobicContact CG1-CE2 3.78Å; V107-F114 PolarHBondContact O-N 3.33Å; V107-F114 VanDerWaalsContact O-N 3.14Å; W109-F114 HydrophobicContact CB-CD2 4.13Å; W109-F114 HydrophobicContact CB-CE2 3.41Å; W109-F114 VanDerWaalsContact CB-CE2 3.41Å; W109-F114 HydrophobicContact CB-CZ 3.85Å; W109-F114 HydrophobicContact CD2-CE1 4.37Å; W109-F114 HydrophobicContact CD2-CE2 4.3Å; W109-F114 AromaticContact CD2-CZ 3.78Å; W109-F114 HydrophobicContact CD2-CZ 3.78Å; W109-F114 HydrophobicContact CE3-CD1 4.49Å; W109-F114 AromaticContact CE3-CE1 3.73Å; W109-F114 HydrophobicContact CE3-CE1 3.73Å; W109-F114 HydrophobicContact CE3-CE2 4.27Å; W109-F114 AromaticContact CE3-CZ 3.6Å; W109-F114 HydrophobicContact CE3-CZ 3.6Å; W109-F114 AromaticContact CG-CE2 3.99Å; W109-F114 HydrophobicContact CG-CE2 3.99Å; W109-F114 AromaticContact CG-CZ 3.9Å; W109-F114 HydrophobicContact CG-CZ 3.9Å; W109-F114 HydrophobicContact CZ3-CE1 4.21Å; W109-F114 HydrophobicContact CZ3-CZ 4.41Å
115	G	91.3	Very high	97.4	Very high	93 Å²	93	88.5 Å²	88.5	96%	0.959	54%	0.544	S	S	*	.			trans	-94.2	0	172.2	0	0	0	0	0	112.6	A104 T113	A104-G115 VanDerWaalsContact C-N 3.33Å; A104-G115 PolarHBondContact O-N 2.98Å; A104-G115 VanDerWaalsContact O-N 3.16Å; T113-G115 VanDerWaalsContact C-N 3.34Å; T113-G115 PolarHBondContact OG1-O 3.32Å

Retrieved 115 of 115 residues in 115.6 ms (Link to these results)

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