A0A087WWB9_HUMAN Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A087WWB9, Species HUMAN (Homo sapiens, Human), Gene RAB13, Length 122 aa.

						>A0A087WWB9_HUMAN|A0A087WWB9|RAB13
MGIILVYDITDEKSFENIQNWMKSIKENASAGVERLLLGNKCDMEAKRKVQKEQADKLAREHGIRFFETSAKSSMNVDEAFSSLARDILLKSGGRRSGNGNKPPSTDLKTCDKKNTNKCSLG
					

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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	84.9	Confident	95.7	Very high	142 Å²	142	42.5 Å²	42.5	70%	0.7	24%	0.239	S	C	*	.				0	142	0	-177.8	168.7	71.6	0	0	108.2	V33 E34	M1-V33 HydrophobicContact CE-CB 4.48Å; M1-V33 HydrophobicContact CE-CG1 4.28Å; M1-V33 HydrophobicContact CE-CG2 3.35Å; M1-E34 PolarHBondContact O-N 2.74Å; M1-E34 VanDerWaalsContact O-N 3.1Å
2	G	91.6	Very high	95.8	Very high	30 Å²	30	47.1 Å²	47.1	31%	0.309	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.2	177	0	0	0	0	0	112.6	E34	G2-E34 CarbonylContact C-O 3.58Å; G2-E34 WeakPolarHBondContact CA-O 3.4Å
3	I	93.9	Very high	95.9	Very high	49 Å²	49	54.6 Å²	54.6	25%	0.251	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.9	177.5	-61.4	173.2	0	0	0	108.4	L5 I25 V33 E34 R35 L36	I3-L5 HydrophobicContact CG2-CG 4.43Å; I3-I25 HydrophobicContact CD1-CD1 4.44Å; I3-I25 HydrophobicContact CD1-CG2 4.14Å; I3-I25 HydrophobicContact CG2-CD1 4.12Å; I3-V33 HydrophobicContact CB-CG1 4.42Å; I3-V33 HydrophobicContact CD1-CG1 3.58Å; I3-V33 HydrophobicContact CG1-CG1 3.63Å; I3-E34 PolarHBondContact N-O 2.86Å; I3-R35 HydrophobicContact CB-CG 4.41Å; I3-R35 WeakPolarHBondContact O-CA 3.17Å; I3-L36 PolarHBondContact O-N 3.41Å
4	I	95.9	Very high	96.1	Very high	49 Å²	49	52.3 Å²	52.3	25%	0.251	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.3	170.7	-58.3	176.6	0	0	0	107.9	V6 L36 L38 F81 L84	I4-V6 HydrophobicContact CG2-CG2 3.65Å; I4-L36 WeakPolarHBondContact CA-O 3.22Å; I4-L36 HydrophobicContact CG1-CB 4.41Å; I4-L38 HydrophobicContact CG2-CD1 3.44Å; I4-L38 VanDerWaalsContact CG2-CD1 3.44Å; I4-L38 HydrophobicContact CG2-CG 3.72Å; I4-F81 HydrophobicContact CD1-CD1 3.78Å; I4-F81 HydrophobicContact CD1-CE1 3.37Å; I4-F81 HydrophobicContact CD1-CZ 3.89Å; I4-L84 HydrophobicContact CD1-CD2 3.83Å; I4-L84 HydrophobicContact CG1-CD2 3.35Å
5	L	96.9	Very high	96.2	Very high	12 Å²	12	48.9 Å²	48.9	6%	0.063	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.7	173.2	-72	162.9	0	0	0	107.8	I3 I18 W21 M22 I25 L36 L37 L38 I64	I3-L5 HydrophobicContact CG2-CG 4.43Å; L5-I18 HydrophobicContact CB-CD1 4.05Å; L5-I18 HydrophobicContact CD2-CD1 4.02Å; L5-W21 HydrophobicContact CD2-CB 3.92Å; L5-M22 HydrophobicContact CD1-CE 4.25Å; L5-M22 HydrophobicContact CD1-CG 3.87Å; L5-M22 HydrophobicContact CD1-SD 3.41Å; L5-M22 WeakPolarHBondContact CD1-SD 3.44Å; L5-I25 HydrophobicContact CD1-CD1 4.09Å; L5-I25 HydrophobicContact CD2-CD1 3.76Å; L5-I25 HydrophobicContact CG-CD1 4.22Å; L5-L36 PolarHBondContact N-O 3.31Å; L5-L37 HydrophobicContact CB-CD1 4.04Å; L5-L37 CarbonylContact O-C 3.55Å; L5-L37 WeakPolarHBondContact O-CA 3.45Å; L5-L38 PolarHBondContact O-N 3.35Å; L5-I64 HydrophobicContact CD1-CD1 4.47Å
6	V	98	Very high	96.2	Very high	74 Å²	74	51.8 Å²	51.8	45%	0.448	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.1	-176.6	-169	0	0	0	0	109.6	I4 L38 N40	I4-V6 HydrophobicContact CG2-CG2 3.65Å; V6-L38 WeakPolarHBondContact CA-O 3.49Å; V6-L38 HydrophobicContact CG1-CB 4.23Å; V6-L38 HydrophobicContact CG2-CB 4.17Å; V6-L38 HydrophobicContact CG2-CD1 4.2Å; V6-N40 HydrophobicContact CG1-CB 3.72Å
7	Y	98.6	Very high	96.2	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	167.2	166.5	73	-82.9	0	0	0	110.2	I9 F15 L37 L38 G39 N40 V50 A55 F66	Y7-I9 HydrophobicContact CE2-CG2 3.92Å; Y7-F15 AromaticContact CD1-CD2 3.86Å; Y7-F15 HydrophobicContact CD1-CD2 3.86Å; Y7-F15 HydrophobicContact CD1-CE2 4.45Å; Y7-F15 HydrophobicContact CD2-CB 3.96Å; Y7-F15 AromaticContact CD2-CD2 3.8Å; Y7-F15 HydrophobicContact CD2-CD2 3.8Å; Y7-F15 HydrophobicContact CD2-CG 4.35Å; Y7-F15 AromaticContact CE1-CD2 3.87Å; Y7-F15 HydrophobicContact CE1-CD2 3.87Å; Y7-F15 HydrophobicContact CE1-CE2 4.13Å; Y7-F15 AromaticContact CE2-CD2 3.83Å; Y7-F15 HydrophobicContact CE2-CD2 3.83Å; Y7-F15 HydrophobicContact CG-CB 4.28Å; Y7-F15 AromaticContact CG-CD2 3.83Å; Y7-F15 HydrophobicContact CG-CD2 3.83Å; Y7-F15 AromaticContact CZ-CD2 3.88Å; Y7-L37 HydrophobicContact CD1-CD1 3.88Å; Y7-L37 HydrophobicContact CD1-CG 4.47Å; Y7-L37 HydrophobicContact CE1-CD1 4.13Å; Y7-L37 HydrophobicContact CE1-CD2 4.43Å; Y7-L37 HydrophobicContact CE1-CG 4.22Å; Y7-L38 VanDerWaalsContact CD1-O 3.23Å; Y7-L38 WeakPolarHBondContact CD1-O 3.49Å; Y7-L38 PolarHBondContact N-O 3.21Å; Y7-G39 VanDerWaalsContact CZ-CA 3.42Å; Y7-N40 WeakPolarHBondContact O-CB 3.26Å; Y7-N40 PolarHBondContact O-N 2.73Å; Y7-V50 HydrophobicContact CD2-CG1 4.46Å; Y7-V50 HydrophobicContact CD2-CG2 4.42Å; Y7-V50 HydrophobicContact CE2-CB 3.87Å; Y7-V50 HydrophobicContact CE2-CG1 3.66Å; Y7-V50 HydrophobicContact CE2-CG2 4.24Å; Y7-A55 HydrophobicContact CE1-CB 4.07Å; Y7-A55 WeakPolarHBondContact OH-CB 3.19Å; Y7-F66 HydrophobicContact CE1-CE2 4.08Å
8	D	98.3	Very high	96.2	Very high	22 Å²	22	51.3 Å²	51.3	12%	0.118	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.3	174.5	178.2	-13.8	0	0	0	109.2	T10 D11 S14 K41	D8-T10 VanDerWaalsContact CG-OG1 3.25Å; D8-T10 PolarHBondContact O-N 3.09Å; D8-T10 WeakPolarHBondContact OD1-CB 3.21Å; D8-T10 PolarHBondContact OD1-N 3.38Å; D8-T10 PolarHBondContact OD1-OG1 2.84Å; D8-T10 PolarHBondContact OD2-OG1 3.18Å; D8-D11 HydrophobicContact CB-CB 4.18Å; D8-D11 PolarHBondContact O-N 3.15Å; D8-S14 PolarHBondContact N-OG 3.48Å; D8-S14 PolarHBondContact O-OG 3.26Å; D8-K41 VanDerWaalsContact OD2-CD 3.25Å; D8-K41 WeakPolarHBondContact OD2-CD 3.29Å; D8-K41 WeakPolarHBondContact OD2-CE 3.5Å; D8-K41 IonicContact OD2-NZ 2.62Å; D8-K41 PolarHBondContact OD2-NZ 3.02Å
9	I	98.4	Very high	95.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.9	-178.5	66.4	150.1	0	0	0	113.5	Y7 N40 K41 R48 K49 V50	Y7-I9 HydrophobicContact CE2-CG2 3.92Å; I9-N40 PolarHBondContact N-O 3.4Å; I9-K41 WeakPolarHBondContact CD1-O 3.01Å; I9-K41 WeakPolarHBondContact CG1-O 3.47Å; I9-R48 HydrophobicContact CD1-CB 4.32Å; I9-R48 HydrophobicContact CD1-CG 4.4Å; I9-K49 PolarHBondContact O-N 3.34Å; I9-V50 PolarHBondContact O-N 3.38Å
10	T	98.1	Very high	95.7	Very high	22 Å²	22	54.3 Å²	54.3	14%	0.135	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-2.5	179.5	72	0	0	0	0	113.5	D8 M44 K47 K49	D8-T10 VanDerWaalsContact CG-OG1 3.25Å; D8-T10 PolarHBondContact O-N 3.09Å; D8-T10 WeakPolarHBondContact OD1-CB 3.21Å; D8-T10 PolarHBondContact OD1-N 3.38Å; D8-T10 PolarHBondContact OD1-OG1 2.84Å; D8-T10 PolarHBondContact OD2-OG1 3.18Å; T10-M44 HydrophobicContact CG2-CB 3.63Å; T10-M44 HydrophobicContact CG2-CE 4.26Å; T10-M44 HydrophobicContact CG2-SD 4.39Å; T10-K47 WeakPolarHBondContact CA-O 3.36Å; T10-K47 WeakPolarHBondContact CB-O 3.29Å; T10-K47 HydrophobicContact CG2-CB 3.92Å; T10-K49 WeakPolarHBondContact O-CD 3.27Å; T10-K49 WeakPolarHBondContact O-CE 3.26Å; T10-K49 WeakPolarHBondContact O-CG 3.26Å
11	D	98.1	Very high	95.6	Very high	64 Å²	64	59 Å²	59	34%	0.342	30%	0.296	S	S	.	.			trans	-130.1	102.2	179.8	-176.9	15	0	0	0	111.7	D8 K13 S14	D8-D11 HydrophobicContact CB-CB 4.18Å; D8-D11 PolarHBondContact O-N 3.15Å; D11-K13 VanDerWaalsContact C-N 3.29Å; D11-K13 PolarHBondContact O-N 3.23Å; D11-K13 PolarHBondContact OD1-N 3.05Å; D11-K13 VanDerWaalsContact OD1-N 3.17Å; D11-S14 WeakPolarHBondContact O-CB 3.25Å; D11-S14 PolarHBondContact O-N 3.09Å; D11-S14 VanDerWaalsContact O-N 3.16Å; D11-S14 PolarHBondContact O-OG 3.42Å
12	E	97.1	Very high	95.8	Very high	97 Å²	97	52.2 Å²	52.2	45%	0.453	26%	0.263	S	S	.	.	H	α-helix	trans	-59.8	-35.9	178.7	-173.8	171.2	-149.1	0	0	112.9	S14 F15 E16 K49	E12-S14 VanDerWaalsContact C-N 3.25Å; E12-S14 PolarHBondContact O-N 3.34Å; E12-F15 WeakPolarHBondContact O-CA 3.26Å; E12-F15 WeakPolarHBondContact O-CB 3.47Å; E12-F15 PolarHBondContact O-N 3.45Å; E12-E16 PolarHBondContact O-N 2.78Å; E12-K49 HydrophobicContact CB-CB 4.39Å
13	K	97.6	Very high	95.7	Very high	145 Å²	145	56.4 Å²	56.4	63%	0.63	27%	0.273	S	S	*	.	H	α-helix	trans	-64	-34.6	178.7	-66	-176	178.8	-177.4	0	111.7	D11 F15 E16 N17	D11-K13 VanDerWaalsContact C-N 3.29Å; D11-K13 PolarHBondContact O-N 3.23Å; D11-K13 PolarHBondContact OD1-N 3.05Å; D11-K13 VanDerWaalsContact OD1-N 3.17Å; K13-F15 VanDerWaalsContact C-N 3.25Å; K13-F15 PolarHBondContact O-N 2.74Å; K13-E16 PolarHBondContact O-N 3.01Å; K13-N17 VanDerWaalsContact O-CG 3.29Å; K13-N17 PolarHBondContact O-N 3.3Å; K13-N17 PolarHBondContact O-ND2 3.45Å
14	S	98.1	Very high	95.4	Very high	22 Å²	22	56.6 Å²	56.6	15%	0.154	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-35.3	175.2	80	0	0	0	0	111.5	D8 D11 E12 I18	D8-S14 PolarHBondContact N-OG 3.48Å; D8-S14 PolarHBondContact O-OG 3.26Å; D11-S14 WeakPolarHBondContact O-CB 3.25Å; D11-S14 PolarHBondContact O-N 3.09Å; D11-S14 VanDerWaalsContact O-N 3.16Å; D11-S14 PolarHBondContact O-OG 3.42Å; E12-S14 VanDerWaalsContact C-N 3.25Å; E12-S14 PolarHBondContact O-N 3.34Å; S14-I18 PolarHBondContact O-N 2.89Å
15	F	97.8	Very high	95	Very high	1 Å²	1	55.2 Å²	55.2	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-74.3	-40.7	176.7	-175.9	-100.6	0	0	0	112.7	Y7 E12 K13 N17 I18 Q19 V50 Q54 A55 L58	Y7-F15 AromaticContact CD1-CD2 3.86Å; Y7-F15 HydrophobicContact CD1-CD2 3.86Å; Y7-F15 HydrophobicContact CD1-CE2 4.45Å; Y7-F15 HydrophobicContact CD2-CB 3.96Å; Y7-F15 AromaticContact CD2-CD2 3.8Å; Y7-F15 HydrophobicContact CD2-CD2 3.8Å; Y7-F15 HydrophobicContact CD2-CG 4.35Å; Y7-F15 AromaticContact CE1-CD2 3.87Å; Y7-F15 HydrophobicContact CE1-CD2 3.87Å; Y7-F15 HydrophobicContact CE1-CE2 4.13Å; Y7-F15 AromaticContact CE2-CD2 3.83Å; Y7-F15 HydrophobicContact CE2-CD2 3.83Å; Y7-F15 HydrophobicContact CG-CB 4.28Å; Y7-F15 AromaticContact CG-CD2 3.83Å; Y7-F15 HydrophobicContact CG-CD2 3.83Å; Y7-F15 AromaticContact CZ-CD2 3.88Å; E12-F15 WeakPolarHBondContact O-CA 3.26Å; E12-F15 WeakPolarHBondContact O-CB 3.47Å; E12-F15 PolarHBondContact O-N 3.45Å; K13-F15 VanDerWaalsContact C-N 3.25Å; K13-F15 PolarHBondContact O-N 2.74Å; F15-N17 VanDerWaalsContact C-N 3.26Å; F15-N17 PolarHBondContact O-N 3.14Å; F15-I18 WeakPolarHBondContact O-CB 3.25Å; F15-I18 PolarHBondContact O-N 2.91Å; F15-I18 VanDerWaalsContact O-N 3.08Å; F15-Q19 HydrophobicContact CE1-CG 4.43Å; F15-Q19 PolarHBondContact O-N 3.02Å; F15-V50 HydrophobicContact CB-CG1 4.23Å; F15-V50 HydrophobicContact CB-CG2 3.73Å; F15-V50 HydrophobicContact CD1-CG1 4.12Å; F15-V50 HydrophobicContact CD2-CG1 3.77Å; F15-V50 HydrophobicContact CE1-CG1 4.46Å; F15-V50 HydrophobicContact CE2-CG1 4.11Å; F15-V50 HydrophobicContact CG-CG1 3.76Å; F15-V50 HydrophobicContact CG-CG2 4.17Å; F15-V50 HydrophobicContact CZ-CG1 4.43Å; F15-Q54 HydrophobicContact CE1-CG 3.79Å; F15-Q54 HydrophobicContact CZ-CG 3.98Å; F15-A55 HydrophobicContact CE2-CB 3.76Å; F15-A55 HydrophobicContact CZ-CB 4.31Å; F15-L58 HydrophobicContact CE1-CD2 4.32Å; F15-L58 HydrophobicContact CE2-CD2 3.76Å; F15-L58 HydrophobicContact CZ-CB 4.11Å; F15-L58 HydrophobicContact CZ-CD2 3.55Å; F15-L58 HydrophobicContact CZ-CG 4.44Å
16	E	96.3	Very high	94.3	Very high	96 Å²	96	62.1 Å²	62.1	45%	0.449	30%	0.301	S	S	.	.	H	α-helix	trans	-56.5	-42.8	172.1	-68.5	176	172.3	0	0	111.4	E12 K13 I18 Q19 N20	E12-E16 PolarHBondContact O-N 2.78Å; K13-E16 PolarHBondContact O-N 3.01Å; E16-I18 VanDerWaalsContact C-N 3.31Å; E16-I18 PolarHBondContact O-N 3.14Å; E16-Q19 WeakPolarHBondContact O-CB 3.38Å; E16-Q19 PolarHBondContact O-N 3.08Å; E16-Q19 VanDerWaalsContact O-N 3.15Å; E16-N20 PolarHBondContact O-N 3.36Å
17	N	96.2	Very high	93.7	Very high	85 Å²	85	65.8 Å²	65.8	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-41.4	175.6	-72.9	-30	0	0	0	111.8	K13 F15 Q19 N20 W21	K13-N17 VanDerWaalsContact O-CG 3.29Å; K13-N17 PolarHBondContact O-N 3.3Å; K13-N17 PolarHBondContact O-ND2 3.45Å; F15-N17 VanDerWaalsContact C-N 3.26Å; F15-N17 PolarHBondContact O-N 3.14Å; N17-Q19 VanDerWaalsContact C-N 3.27Å; N17-Q19 PolarHBondContact O-N 2.89Å; N17-N20 WeakPolarHBondContact O-CB 3.39Å; N17-N20 PolarHBondContact O-N 2.98Å; N17-N20 VanDerWaalsContact O-N 3.1Å; N17-W21 PolarHBondContact O-N 3.47Å
18	I	95.7	Very high	92.9	Very high	10 Å²	10	71.9 Å²	71.9	5%	0.051	35%	0.346	C	S	.	.	H	α-helix	trans	-58.7	-39.2	176.7	-70.3	-49.4	0	0	0	111.9	L5 S14 F15 E16 N20 W21 M22 L37 L58	L5-I18 HydrophobicContact CB-CD1 4.05Å; L5-I18 HydrophobicContact CD2-CD1 4.02Å; S14-I18 PolarHBondContact O-N 2.89Å; F15-I18 WeakPolarHBondContact O-CB 3.25Å; F15-I18 PolarHBondContact O-N 2.91Å; F15-I18 VanDerWaalsContact O-N 3.08Å; E16-I18 VanDerWaalsContact C-N 3.31Å; E16-I18 PolarHBondContact O-N 3.14Å; I18-N20 PolarHBondContact O-N 3.02Å; I18-W21 PolarHBondContact O-N 3.04Å; I18-M22 HydrophobicContact CG2-CG 3.96Å; I18-M22 WeakPolarHBondContact O-CB 3.5Å; I18-M22 WeakPolarHBondContact O-CG 3.22Å; I18-M22 PolarHBondContact O-N 3.29Å; I18-L37 HydrophobicContact CG2-CD1 3.63Å; I18-L58 HydrophobicContact CG2-CD2 4.19Å
19	Q	91.3	Very high	92.1	Very high	73 Å²	73	72.8 Å²	72.8	34%	0.341	36%	0.356	S	S	.	.	H	α-helix	trans	-61	-37.1	177.6	-63.8	-176.6	-29	0	0	111.9	F15 E16 N17 K23 L58	F15-Q19 HydrophobicContact CE1-CG 4.43Å; F15-Q19 PolarHBondContact O-N 3.02Å; E16-Q19 WeakPolarHBondContact O-CB 3.38Å; E16-Q19 PolarHBondContact O-N 3.08Å; E16-Q19 VanDerWaalsContact O-N 3.15Å; N17-Q19 VanDerWaalsContact C-N 3.27Å; N17-Q19 PolarHBondContact O-N 2.89Å; Q19-K23 WeakPolarHBondContact O-CG 3.38Å; Q19-K23 PolarHBondContact O-N 2.56Å; Q19-L58 HydrophobicContact CG-CD1 3.99Å; Q19-L58 HydrophobicContact CG-CD2 3.77Å
20	N	92.2	Very high	91.1	Very high	88 Å²	88	77.1 Å²	77.1	47%	0.471	39%	0.387	S	S	.	.	H	α-helix	trans	-69.9	-46.7	175	-63.6	-32.6	0	0	0	111.2	E16 N17 I18 M22 K23 S24	E16-N20 PolarHBondContact O-N 3.36Å; N17-N20 WeakPolarHBondContact O-CB 3.39Å; N17-N20 PolarHBondContact O-N 2.98Å; N17-N20 VanDerWaalsContact O-N 3.1Å; I18-N20 PolarHBondContact O-N 3.02Å; N20-M22 VanDerWaalsContact C-N 3.3Å; N20-M22 PolarHBondContact O-N 3.25Å; N20-K23 WeakPolarHBondContact O-CB 3.16Å; N20-K23 PolarHBondContact O-N 2.82Å; N20-K23 VanDerWaalsContact O-N 3.15Å; N20-S24 PolarHBondContact O-N 2.81Å; N20-S24 VanDerWaalsContact O-N 3.08Å; N20-S24 PolarHBondContact O-OG 3.38Å
21	W	92.3	Very high	89.7	Confident	153 Å²	153	81.7 Å²	81.7	58%	0.58	43%	0.427	S	S	*	.	H	α-helix	trans	-59.1	-40	176.8	-77.6	107.9	0	0	0	112.8	L5 N17 I18 K23 S24 I25	L5-W21 HydrophobicContact CD2-CB 3.92Å; N17-W21 PolarHBondContact O-N 3.47Å; I18-W21 PolarHBondContact O-N 3.04Å; W21-K23 VanDerWaalsContact C-N 3.31Å; W21-K23 PolarHBondContact O-N 3.07Å; W21-S24 PolarHBondContact O-N 2.87Å; W21-I25 WeakPolarHBondContact O-CB 3.49Å; W21-I25 WeakPolarHBondContact O-CD1 3.46Å; W21-I25 VanDerWaalsContact O-CG1 3.23Å; W21-I25 WeakPolarHBondContact O-CG1 3.4Å; W21-I25 PolarHBondContact O-N 3.02Å
22	M	89.7	Confident	88.8	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.005	43%	0.426	C	S	.	.	H	α-helix	trans	-59	-40.8	176.7	-76.1	-85.3	-134.6	0	0	112.4	L5 I18 N20 K26 L37 L58 H62 I64	L5-M22 HydrophobicContact CD1-CE 4.25Å; L5-M22 HydrophobicContact CD1-CG 3.87Å; L5-M22 HydrophobicContact CD1-SD 3.41Å; L5-M22 WeakPolarHBondContact CD1-SD 3.44Å; I18-M22 HydrophobicContact CG2-CG 3.96Å; I18-M22 WeakPolarHBondContact O-CB 3.5Å; I18-M22 WeakPolarHBondContact O-CG 3.22Å; I18-M22 PolarHBondContact O-N 3.29Å; N20-M22 VanDerWaalsContact C-N 3.3Å; N20-M22 PolarHBondContact O-N 3.25Å; M22-K26 WeakPolarHBondContact O-CB 3.46Å; M22-K26 PolarHBondContact O-N 3.24Å; M22-K26 VanDerWaalsContact O-N 3.12Å; M22-L37 HydrophobicContact CE-CD2 4.28Å; M22-L58 HydrophobicContact CE-CD2 4.41Å; M22-L58 HydrophobicContact CE-CG 4.28Å; M22-H62 HydrophobicContact CE-CB 4.11Å; M22-H62 HydrophobicContact SD-CB 4.12Å; M22-I64 HydrophobicContact CE-CD1 3.27Å; M22-I64 HydrophobicContact CE-CG1 3.92Å; M22-I64 HydrophobicContact SD-CD1 3.67Å
23	K	88.5	Confident	88.4	Confident	118 Å²	118	76.2 Å²	76.2	51%	0.513	41%	0.409	S	S	.	.	H	α-helix	trans	-66.4	-50.7	175.6	-67.4	171.2	-175.6	172.8	0	110.8	Q19 N20 W21 I25 K26 E27	Q19-K23 WeakPolarHBondContact O-CG 3.38Å; Q19-K23 PolarHBondContact O-N 2.56Å; N20-K23 WeakPolarHBondContact O-CB 3.16Å; N20-K23 PolarHBondContact O-N 2.82Å; N20-K23 VanDerWaalsContact O-N 3.15Å; W21-K23 VanDerWaalsContact C-N 3.31Å; W21-K23 PolarHBondContact O-N 3.07Å; K23-I25 VanDerWaalsContact C-N 3.3Å; K23-I25 PolarHBondContact O-N 2.69Å; K23-K26 WeakPolarHBondContact O-CB 3.18Å; K23-K26 PolarHBondContact O-N 3.07Å; K23-E27 PolarHBondContact O-N 2.84Å; K23-E27 VanDerWaalsContact O-N 3.11Å
24	S	88.4	Confident	88.2	Confident	53 Å²	53	70.9 Å²	70.9	37%	0.371	39%	0.386	S	S	.	.	H	α-helix	trans	-59.9	-40	179.9	-56.2	0	0	0	0	112.5	N20 W21 E27 N28	N20-S24 PolarHBondContact O-N 2.81Å; N20-S24 VanDerWaalsContact O-N 3.08Å; N20-S24 PolarHBondContact O-OG 3.38Å; W21-S24 PolarHBondContact O-N 2.87Å; S24-E27 PolarHBondContact O-N 3.32Å; S24-N28 WeakPolarHBondContact O-CB 3.28Å; S24-N28 PolarHBondContact O-N 3.09Å; S24-N28 PolarHBondContact O-ND2 2.94Å
25	I	87.2	Confident	88	Confident	20 Å²	20	72.9 Å²	72.9	10%	0.103	39%	0.39	C	S	.	.	H	α-helix	trans	-66	-40	176.2	-69.2	165.2	0	0	0	110.8	I3 L5 W21 K23 E27 N28 A29 R35	I3-I25 HydrophobicContact CD1-CD1 4.44Å; I3-I25 HydrophobicContact CD1-CG2 4.14Å; I3-I25 HydrophobicContact CG2-CD1 4.12Å; L5-I25 HydrophobicContact CD1-CD1 4.09Å; L5-I25 HydrophobicContact CD2-CD1 3.76Å; L5-I25 HydrophobicContact CG-CD1 4.22Å; W21-I25 WeakPolarHBondContact O-CB 3.49Å; W21-I25 WeakPolarHBondContact O-CD1 3.46Å; W21-I25 VanDerWaalsContact O-CG1 3.23Å; W21-I25 WeakPolarHBondContact O-CG1 3.4Å; W21-I25 PolarHBondContact O-N 3.02Å; K23-I25 VanDerWaalsContact C-N 3.3Å; K23-I25 PolarHBondContact O-N 2.69Å; I25-E27 PolarHBondContact O-N 2.9Å; I25-N28 PolarHBondContact O-N 2.83Å; I25-A29 HydrophobicContact CG2-CB 3.85Å; I25-A29 WeakPolarHBondContact O-CB 3.5Å; I25-A29 PolarHBondContact O-N 3.06Å; I25-R35 HydrophobicContact CG2-CG 4.48Å
26	K	82.8	Confident	87.9	Confident	156 Å²	156	72.8 Å²	72.8	68%	0.678	39%	0.39	S	S	*	.	H	α-helix	trans	-61.5	-34.3	177.3	-173.8	179.7	176.4	-178.6	0	112.1	M22 K23	M22-K26 WeakPolarHBondContact O-CB 3.46Å; M22-K26 PolarHBondContact O-N 3.24Å; M22-K26 VanDerWaalsContact O-N 3.12Å; K23-K26 WeakPolarHBondContact O-CB 3.18Å; K23-K26 PolarHBondContact O-N 3.07Å
27	E	84.8	Confident	88	Confident	152 Å²	152	68.2 Å²	68.2	71%	0.71	37%	0.369	S	S	*	.	H	α-helix	trans	-80.9	-34.4	-179.5	-69.1	167.5	-179.8	0	0	113.2	K23 S24 I25	K23-E27 PolarHBondContact O-N 2.84Å; K23-E27 VanDerWaalsContact O-N 3.11Å; S24-E27 PolarHBondContact O-N 3.32Å; I25-E27 PolarHBondContact O-N 2.9Å
28	N	83.3	Confident	88.1	Confident	131 Å²	131	64.6 Å²	64.6	70%	0.701	35%	0.349	S	S	*	.	H	α-helix	trans	-109.4	-18.1	-168.8	-65.9	-84.8	0	0	0	114.6	S24 I25	S24-N28 WeakPolarHBondContact O-CB 3.28Å; S24-N28 PolarHBondContact O-N 3.09Å; S24-N28 PolarHBondContact O-ND2 2.94Å; I25-N28 PolarHBondContact O-N 2.83Å
29	A	80.5	Confident	88.2	Confident	41 Å²	41	64.1 Å²	64.1	34%	0.339	35%	0.347	S	S	.	.	S	Bend	trans	-84	140.6	-175.7	0	0	0	0	0	112.5	I25 V33	I25-A29 HydrophobicContact CG2-CB 3.85Å; I25-A29 WeakPolarHBondContact O-CB 3.5Å; I25-A29 PolarHBondContact O-N 3.06Å; A29-V33 HydrophobicContact CB-CB 4.45Å; A29-V33 HydrophobicContact CB-CG2 4.26Å
30	S	76.6	Confident	88.6	Confident	92 Å²	92	62.4 Å²	62.4	64%	0.643	34%	0.34	S	S	*	.			trans	-62.3	147.3	175.6	-47.2	0	0	0	0	112.1	G32 V33	S30-G32 PolarHBondContact O-N 2.68Å; S30-V33 PolarHBondContact O-N 2.79Å
31	A	70.2	Confident	88.8	Confident	118 Å²	118	62 Å²	62	98%	0.975	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	93.6	172.4	0	0	0	0	0	109.9
32	G	78.7	Confident	89	Confident	32 Å²	32	55.5 Å²	55.5	33%	0.33	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	152	-13.1	-172.6	0	0	0	0	0	115	S30 E34	S30-G32 PolarHBondContact O-N 2.68Å; G32-E34 PolarHBondContact O-N 3.35Å
33	V	89.1	Confident	89.4	Confident	13 Å²	13	58.4 Å²	58.4	8%	0.079	33%	0.327	C	S	.	.			trans	-79.6	122.6	178.4	-174.1	0	0	0	0	110.8	M1 I3 A29 S30	M1-V33 HydrophobicContact CE-CB 4.48Å; M1-V33 HydrophobicContact CE-CG1 4.28Å; M1-V33 HydrophobicContact CE-CG2 3.35Å; I3-V33 HydrophobicContact CB-CG1 4.42Å; I3-V33 HydrophobicContact CD1-CG1 3.58Å; I3-V33 HydrophobicContact CG1-CG1 3.63Å; A29-V33 HydrophobicContact CB-CB 4.45Å; A29-V33 HydrophobicContact CB-CG2 4.26Å; S30-V33 PolarHBondContact O-N 2.79Å
34	E	92.5	Very high	89.8	Confident	34 Å²	34	55.6 Å²	55.6	16%	0.159	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	144.1	173.1	-69.6	-53.7	127.8	0	0	111	M1 G2 I3 G32 L84 D87 I88 K91	M1-E34 PolarHBondContact O-N 2.74Å; M1-E34 VanDerWaalsContact O-N 3.1Å; G2-E34 CarbonylContact C-O 3.58Å; G2-E34 WeakPolarHBondContact CA-O 3.4Å; I3-E34 PolarHBondContact N-O 2.86Å; G32-E34 PolarHBondContact O-N 3.35Å; E34-L84 HydrophobicContact CB-CD1 3.68Å; E34-D87 HydrophobicContact CB-CB 4.45Å; E34-D87 HydrophobicContact CG-CB 3.93Å; E34-I88 HydrophobicContact CB-CG1 3.89Å; E34-I88 HydrophobicContact CG-CG1 4.14Å; E34-K91 HydrophobicContact CG-CD 4.3Å; E34-K91 WeakPolarHBondContact OE1-CD 3.48Å; E34-K91 WeakPolarHBondContact OE1-CE 3.15Å; E34-K91 IonicContact OE1-NZ 2.64Å; E34-K91 PolarHBondContact OE1-NZ 3.28Å
35	R	93.2	Very high	90.2	Very high	63 Å²	63	58.1 Å²	58.1	24%	0.238	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	141.2	-170.1	-70.1	170.9	-67.4	173	3.2	110.9	I3 I25 I64	I3-R35 HydrophobicContact CB-CG 4.41Å; I3-R35 WeakPolarHBondContact O-CA 3.17Å; I25-R35 HydrophobicContact CG2-CG 4.48Å; R35-I64 HydrophobicContact CB-CB 4.25Å; R35-I64 HydrophobicContact CB-CD1 4.23Å; R35-I64 HydrophobicContact CB-CG2 3.67Å
36	L	96.3	Very high	90.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	131.3	179.5	-175	61.3	0	0	0	110.2	I3 I4 L5 L38 R65 F67 A80 L84	I3-L36 PolarHBondContact O-N 3.41Å; I4-L36 WeakPolarHBondContact CA-O 3.22Å; I4-L36 HydrophobicContact CG1-CB 4.41Å; L5-L36 PolarHBondContact N-O 3.31Å; L36-L38 HydrophobicContact CD2-CD2 3.89Å; L36-L38 HydrophobicContact CD2-CG 4.45Å; L36-L38 HydrophobicContact CG-CD2 3.92Å; L36-L38 HydrophobicContact CG-CG 4.39Å; L36-R65 HydrophobicContact CD1-CB 3.65Å; L36-R65 WeakPolarHBondContact CD1-O 3.09Å; L36-F67 HydrophobicContact CD1-CD2 3.6Å; L36-F67 HydrophobicContact CD1-CE2 3.74Å; L36-F67 HydrophobicContact CD2-CD2 4.45Å; L36-F67 HydrophobicContact CG-CD2 4.44Å; L36-A80 HydrophobicContact CD2-CB 4Å; L36-A80 WeakPolarHBondContact CD2-O 3.21Å; L36-L84 HydrophobicContact CB-CD1 4.42Å; L36-L84 HydrophobicContact CB-CD2 4.44Å; L36-L84 HydrophobicContact CD2-CB 4.11Å
37	L	98.1	Very high	91.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.5	171.3	-179.2	60.8	0	0	0	110.5	L5 Y7 I18 M22 L58 A59 I64 R65 F66 F67	L5-L37 HydrophobicContact CB-CD1 4.04Å; L5-L37 CarbonylContact O-C 3.55Å; L5-L37 WeakPolarHBondContact O-CA 3.45Å; Y7-L37 HydrophobicContact CD1-CD1 3.88Å; Y7-L37 HydrophobicContact CD1-CG 4.47Å; Y7-L37 HydrophobicContact CE1-CD1 4.13Å; Y7-L37 HydrophobicContact CE1-CD2 4.43Å; Y7-L37 HydrophobicContact CE1-CG 4.22Å; I18-L37 HydrophobicContact CG2-CD1 3.63Å; M22-L37 HydrophobicContact CE-CD2 4.28Å; L37-L58 HydrophobicContact CD2-CD2 4.45Å; L37-A59 HydrophobicContact CD2-CB 4.19Å; L37-I64 HydrophobicContact CB-CD1 3.96Å; L37-R65 PolarHBondContact N-O 3.29Å; L37-F66 HydrophobicContact CB-CD2 4.19Å; L37-F66 HydrophobicContact CD2-CD2 3.99Å; L37-F66 HydrophobicContact CG-CD2 3.85Å; L37-F66 HydrophobicContact CG-CE2 4.45Å; L37-F66 VanDerWaalsContact O-CA 3.29Å; L37-F66 WeakPolarHBondContact O-CA 3.46Å; L37-F67 PolarHBondContact O-N 3.37Å
38	L	98.4	Very high	92	Very high	9 Å²	9	55.9 Å²	55.9	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.8	175.2	-56.7	-176	0	0	0	111.5	I4 L5 V6 Y7 L36 F67 T69 A80	I4-L38 HydrophobicContact CG2-CD1 3.44Å; I4-L38 VanDerWaalsContact CG2-CD1 3.44Å; I4-L38 HydrophobicContact CG2-CG 3.72Å; L5-L38 PolarHBondContact O-N 3.35Å; V6-L38 WeakPolarHBondContact CA-O 3.49Å; V6-L38 HydrophobicContact CG1-CB 4.23Å; V6-L38 HydrophobicContact CG2-CB 4.17Å; V6-L38 HydrophobicContact CG2-CD1 4.2Å; Y7-L38 VanDerWaalsContact CD1-O 3.23Å; Y7-L38 WeakPolarHBondContact CD1-O 3.49Å; Y7-L38 PolarHBondContact N-O 3.21Å; L36-L38 HydrophobicContact CD2-CD2 3.89Å; L36-L38 HydrophobicContact CD2-CG 4.45Å; L36-L38 HydrophobicContact CG-CD2 3.92Å; L36-L38 HydrophobicContact CG-CG 4.39Å; L38-F67 CarbonylContact C-O 3.34Å; L38-F67 VanDerWaalsContact CA-O 3.26Å; L38-F67 WeakPolarHBondContact CA-O 3.28Å; L38-F67 HydrophobicContact CD2-CB 3.74Å; L38-F67 HydrophobicContact CD2-CD2 4.36Å; L38-F67 HydrophobicContact CD2-CG 4.48Å; L38-T69 HydrophobicContact CD1-CG2 4.36Å; L38-T69 HydrophobicContact CD2-CG2 4Å; L38-A80 HydrophobicContact CD1-CB 4.32Å; L38-A80 HydrophobicContact CD2-CB 3.67Å
39	G	98.4	Very high	92.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	101	163.5	0	0	0	0	0	109.6	Y7 F67 E68 T69	Y7-G39 VanDerWaalsContact CZ-CA 3.42Å; G39-F67 PolarHBondContact N-O 2.98Å; G39-E68 CarbonylContact O-C 3.54Å; G39-E68 VanDerWaalsContact O-CA 3.25Å; G39-E68 WeakPolarHBondContact O-CA 3.44Å; G39-T69 PolarHBondContact O-N 2.93Å
40	N	98.5	Very high	93.5	Very high	36 Å²	36	53.8 Å²	53.8	19%	0.193	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	163	-177.8	-170.1	25.9	0	0	0	111.8	V6 Y7 I9 T69 A71	V6-N40 HydrophobicContact CG1-CB 3.72Å; Y7-N40 WeakPolarHBondContact O-CB 3.26Å; Y7-N40 PolarHBondContact O-N 2.73Å; I9-N40 PolarHBondContact N-O 3.4Å; N40-T69 CarbonylContact C-O 3.53Å; N40-T69 VanDerWaalsContact CA-O 3.26Å; N40-T69 WeakPolarHBondContact CA-O 3.37Å; N40-T69 PolarHBondContact OD1-O 3.03Å; N40-A71 PolarHBondContact OD1-N 2.8Å
41	K	97.7	Very high	94.5	Very high	80 Å²	80	54.4 Å²	54.4	35%	0.348	30%	0.299	S	S	.	.			trans	66.8	33.9	-177.3	-46.1	-167.6	-167.4	167.8	0	113.8	D8 I9 D43 M44 T69	D8-K41 VanDerWaalsContact OD2-CD 3.25Å; D8-K41 WeakPolarHBondContact OD2-CD 3.29Å; D8-K41 WeakPolarHBondContact OD2-CE 3.5Å; D8-K41 IonicContact OD2-NZ 2.62Å; D8-K41 PolarHBondContact OD2-NZ 3.02Å; I9-K41 WeakPolarHBondContact CD1-O 3.01Å; I9-K41 WeakPolarHBondContact CG1-O 3.47Å; K41-D43 WeakPolarHBondContact CA-OD1 3.23Å; K41-D43 PolarHBondContact O-N 2.99Å; K41-M44 HydrophobicContact CB-CG 4.4Å; K41-M44 HydrophobicContact CB-SD 4.25Å; K41-M44 HydrophobicContact CD-SD 4.02Å; K41-M44 WeakPolarHBondContact O-CB 3.02Å; K41-M44 PolarHBondContact O-N 3.43Å; K41-T69 PolarHBondContact N-O 3.33Å
42	C	97.1	Very high	95.8	Very high	16 Å²	16	53.7 Å²	53.7	11%	0.108	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-61.6	-13.3	176.1	69.2	0	0	0	0	114.2	M44 E68 T69	C42-M44 PolarHBondContact O-N 3.46Å; C42-E68 HydrophobicContact CB-CB 3.95Å; C42-T69 PolarHBondContact N-O 3.01Å; C42-T69 VanDerWaalsContact N-O 3.09Å; C42-T69 PolarHBondContact SG-O 2.85Å
43	D	97.4	Very high	96.7	Very high	62 Å²	62	58.3 Å²	58.3	33%	0.332	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-67.5	-16.4	168.8	61.9	-74.8	0	0	0	113.6	K41 E45 S70 K72	K41-D43 WeakPolarHBondContact CA-OD1 3.23Å; K41-D43 PolarHBondContact O-N 2.99Å; D43-E45 PolarHBondContact O-N 3.47Å; D43-S70 VanDerWaalsContact CG-OG 3.27Å; D43-S70 VanDerWaalsContact OD1-CB 3.27Å; D43-S70 WeakPolarHBondContact OD1-CB 3.41Å; D43-S70 PolarHBondContact OD1-OG 2.8Å; D43-K72 WeakPolarHBondContact OD2-CD 3.44Å
44	M	97.1	Very high	97.1	Very high	60 Å²	60	61.7 Å²	61.7	30%	0.296	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-98.1	40.9	-178.1	-61.3	-175.8	62.1	0	0	112.9	T10 K41 C42 A46 K47 R48	T10-M44 HydrophobicContact CG2-CB 3.63Å; T10-M44 HydrophobicContact CG2-CE 4.26Å; T10-M44 HydrophobicContact CG2-SD 4.39Å; K41-M44 HydrophobicContact CB-CG 4.4Å; K41-M44 HydrophobicContact CB-SD 4.25Å; K41-M44 HydrophobicContact CD-SD 4.02Å; K41-M44 WeakPolarHBondContact O-CB 3.02Å; K41-M44 PolarHBondContact O-N 3.43Å; C42-M44 PolarHBondContact O-N 3.46Å; M44-A46 PolarHBondContact O-N 3.11Å; M44-A46 VanDerWaalsContact O-N 3.14Å; M44-K47 HydrophobicContact CE-CD 3.67Å; M44-K47 PolarHBondContact O-N 2.88Å; M44-R48 PolarHBondContact O-N 3.27Å
45	E	96.1	Very high	97.3	Very high	105 Å²	105	60.1 Å²	60.1	49%	0.491	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-52.2	-39.2	-175.2	-165.2	62.4	-156.3	0	0	113.6	D43 K47 R48	D43-E45 PolarHBondContact O-N 3.47Å; E45-K47 PolarHBondContact O-N 3.5Å; E45-K47 VanDerWaalsContact O-N 3.08Å; E45-R48 WeakPolarHBondContact O-CB 3.35Å; E45-R48 PolarHBondContact O-N 3.12Å; E45-R48 WeakPolarHBondContact OE1-CD 3.42Å; E45-R48 IonicContact OE1-CZ 3.61Å; E45-R48 IonicContact OE1-NE 2.78Å; E45-R48 PolarHBondContact OE1-NE 3.06Å; E45-R48 IonicContact OE1-NH2 3.63Å; E45-R48 IonicContact OE2-CZ 3.29Å; E45-R48 VanDerWaalsContact OE2-CZ 3.29Å; E45-R48 IonicContact OE2-NE 3.02Å; E45-R48 PolarHBondContact OE2-NE 2.71Å; E45-R48 IonicContact OE2-NH2 2.74Å; E45-R48 PolarHBondContact OE2-NH2 2.79Å
46	A	97.3	Very high	97.5	Very high	110 Å²	110	59.6 Å²	59.6	91%	0.909	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-62.9	-17.2	178.4	0	0	0	0	0	114.3	M44	M44-A46 PolarHBondContact O-N 3.11Å; M44-A46 VanDerWaalsContact O-N 3.14Å
47	K	97.5	Very high	97.5	Very high	135 Å²	135	65.9 Å²	65.9	59%	0.587	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-112.1	12.9	177.8	-64.1	-178.9	179.7	179.8	0	112	T10 M44 E45 K49	T10-K47 WeakPolarHBondContact CA-O 3.36Å; T10-K47 WeakPolarHBondContact CB-O 3.29Å; T10-K47 HydrophobicContact CG2-CB 3.92Å; M44-K47 HydrophobicContact CE-CD 3.67Å; M44-K47 PolarHBondContact O-N 2.88Å; E45-K47 PolarHBondContact O-N 3.5Å; E45-K47 VanDerWaalsContact O-N 3.08Å; K47-K49 PolarHBondContact O-N 3.13Å
48	R	98.3	Very high	97.4	Very high	36 Å²	36	66.2 Å²	66.2	14%	0.136	33%	0.325	C	S	.	.			trans	-58	128.4	179.9	-179.7	176.9	-70.8	-89.1	8	110	I9 M44 E45 V50 E68	I9-R48 HydrophobicContact CD1-CB 4.32Å; I9-R48 HydrophobicContact CD1-CG 4.4Å; M44-R48 PolarHBondContact O-N 3.27Å; E45-R48 WeakPolarHBondContact O-CB 3.35Å; E45-R48 PolarHBondContact O-N 3.12Å; E45-R48 WeakPolarHBondContact OE1-CD 3.42Å; E45-R48 IonicContact OE1-CZ 3.61Å; E45-R48 IonicContact OE1-NE 2.78Å; E45-R48 PolarHBondContact OE1-NE 3.06Å; E45-R48 IonicContact OE1-NH2 3.63Å; E45-R48 IonicContact OE2-CZ 3.29Å; E45-R48 VanDerWaalsContact OE2-CZ 3.29Å; E45-R48 IonicContact OE2-NE 3.02Å; E45-R48 PolarHBondContact OE2-NE 2.71Å; E45-R48 IonicContact OE2-NH2 2.74Å; E45-R48 PolarHBondContact OE2-NH2 2.79Å; R48-V50 WeakPolarHBondContact CD-O 3.49Å; R48-V50 WeakPolarHBondContact CG-O 3.4Å; R48-V50 PolarHBondContact NH1-O 2.72Å; R48-E68 IonicContact CZ-OE1 3.35Å; R48-E68 IonicContact CZ-OE2 3.84Å; R48-E68 IonicContact NH1-OE1 3.9Å; R48-E68 PolarHBondContact NH1-OE1 3.48Å; R48-E68 IonicContact NH1-OE2 2.72Å; R48-E68 IonicContact NH2-OE1 3.14Å; R48-E68 PolarHBondContact NH2-OE1 3.26Å; R48-E68 VanDerWaalsContact NH2-OE1 3.14Å; R48-E68 IonicContact NH2-OE2 2.91Å; R48-E68 PolarHBondContact NH2-OE2 2.62Å
49	K	98.1	Very high	97.2	Very high	129 Å²	129	65.9 Å²	65.9	56%	0.561	32%	0.324	S	S	*	.			trans	-112.8	-26.3	171	-60.7	-169.8	-171.6	168.9	0	111.9	I9 T10 E12 K47	I9-K49 PolarHBondContact O-N 3.34Å; T10-K49 WeakPolarHBondContact O-CD 3.27Å; T10-K49 WeakPolarHBondContact O-CE 3.26Å; T10-K49 WeakPolarHBondContact O-CG 3.26Å; E12-K49 HydrophobicContact CB-CB 4.39Å; K47-K49 PolarHBondContact O-N 3.13Å
50	V	97.8	Very high	97.1	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	36%	0.357	C	S	.	.	S	Bend	trans	-107.5	117.8	179.2	-175.5	0	0	0	0	109.3	Y7 I9 F15 R48	Y7-V50 HydrophobicContact CD2-CG1 4.46Å; Y7-V50 HydrophobicContact CD2-CG2 4.42Å; Y7-V50 HydrophobicContact CE2-CB 3.87Å; Y7-V50 HydrophobicContact CE2-CG1 3.66Å; Y7-V50 HydrophobicContact CE2-CG2 4.24Å; I9-V50 PolarHBondContact O-N 3.38Å; F15-V50 HydrophobicContact CB-CG1 4.23Å; F15-V50 HydrophobicContact CB-CG2 3.73Å; F15-V50 HydrophobicContact CD1-CG1 4.12Å; F15-V50 HydrophobicContact CD2-CG1 3.77Å; F15-V50 HydrophobicContact CE1-CG1 4.46Å; F15-V50 HydrophobicContact CE2-CG1 4.11Å; F15-V50 HydrophobicContact CG-CG1 3.76Å; F15-V50 HydrophobicContact CG-CG2 4.17Å; F15-V50 HydrophobicContact CZ-CG1 4.43Å; R48-V50 WeakPolarHBondContact CD-O 3.49Å; R48-V50 WeakPolarHBondContact CG-O 3.4Å; R48-V50 PolarHBondContact NH1-O 2.72Å
51	Q	97.9	Very high	96.9	Very high	104 Å²	104	78.8 Å²	78.8	49%	0.486	38%	0.375	S	S	.	.			trans	-72.3	146.2	178.1	-62.2	-61.7	4	0	0	111.6	E53 Q54 A55	Q51-E53 VanDerWaalsContact C-N 3.26Å; Q51-E53 PolarHBondContact O-N 3.16Å; Q51-Q54 HydrophobicContact CB-CB 4.48Å; Q51-Q54 WeakPolarHBondContact O-CB 3.36Å; Q51-Q54 PolarHBondContact O-N 3.03Å; Q51-A55 PolarHBondContact O-N 2.89Å
52	K	97.2	Very high	96.5	Very high	104 Å²	104	77 Å²	77	45%	0.452	37%	0.368	S	S	.	.	H	α-helix	trans	-61.6	-38.9	-178.5	-172.1	177.9	179.2	176.6	0	111.3	Q54 A55 D56 F66 E68	K52-Q54 VanDerWaalsContact C-N 3.3Å; K52-Q54 PolarHBondContact O-N 2.92Å; K52-A55 PolarHBondContact O-N 2.94Å; K52-D56 WeakPolarHBondContact O-CB 3.49Å; K52-D56 PolarHBondContact O-N 2.64Å; K52-F66 HydrophobicContact CG-CE1 3.79Å; K52-F66 HydrophobicContact CG-CZ 4.3Å; K52-E68 HydrophobicContact CG-CG 4.36Å
53	E	97.6	Very high	96.3	Very high	129 Å²	129	79.5 Å²	79.5	60%	0.603	40%	0.397	S	S	*	.	H	α-helix	trans	-64.1	-36.1	179.9	-63.7	67.6	-146.5	0	0	111.7	Q51 K57	Q51-E53 VanDerWaalsContact C-N 3.26Å; Q51-E53 PolarHBondContact O-N 3.16Å; E53-K57 VanDerWaalsContact O-CB 3.28Å; E53-K57 WeakPolarHBondContact O-CB 3.48Å; E53-K57 PolarHBondContact O-N 3.03Å
54	Q	96.7	Very high	96.1	Very high	84 Å²	84	77.5 Å²	77.5	39%	0.393	39%	0.385	S	S	.	.	H	α-helix	trans	-66.3	-43	177.3	177.3	175.9	-31	0	0	111.2	F15 Q51 K52 L58	F15-Q54 HydrophobicContact CE1-CG 3.79Å; F15-Q54 HydrophobicContact CZ-CG 3.98Å; Q51-Q54 HydrophobicContact CB-CB 4.48Å; Q51-Q54 WeakPolarHBondContact O-CB 3.36Å; Q51-Q54 PolarHBondContact O-N 3.03Å; K52-Q54 VanDerWaalsContact C-N 3.3Å; K52-Q54 PolarHBondContact O-N 2.92Å; Q54-L58 PolarHBondContact O-N 3.17Å; Q54-L58 VanDerWaalsContact O-N 3.11Å
55	A	96.6	Very high	96	Very high	0 Å²	0	78.3 Å²	78.3	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-70.9	-39.1	176.7	0	0	0	0	0	112.6	Y7 F15 Q51 K52 K57 L58 A59 F66	Y7-A55 HydrophobicContact CE1-CB 4.07Å; Y7-A55 WeakPolarHBondContact OH-CB 3.19Å; F15-A55 HydrophobicContact CE2-CB 3.76Å; F15-A55 HydrophobicContact CZ-CB 4.31Å; Q51-A55 PolarHBondContact O-N 2.89Å; K52-A55 PolarHBondContact O-N 2.94Å; A55-K57 VanDerWaalsContact C-N 3.34Å; A55-K57 PolarHBondContact O-N 3.25Å; A55-L58 PolarHBondContact O-N 2.97Å; A55-A59 WeakPolarHBondContact O-CB 3.48Å; A55-A59 PolarHBondContact O-N 3.27Å; A55-F66 HydrophobicContact CB-CD2 4.4Å; A55-F66 HydrophobicContact CB-CE1 4.05Å; A55-F66 HydrophobicContact CB-CE2 3.77Å; A55-F66 HydrophobicContact CB-CZ 3.56Å
56	D	96.9	Very high	96	Very high	52 Å²	52	74.6 Å²	74.6	28%	0.278	37%	0.368	S	S	.	.	H	α-helix	trans	-61.8	-43.3	174.8	-169.8	69.4	0	0	0	111.2	K52 L58 A59 R60 F66	K52-D56 WeakPolarHBondContact O-CB 3.49Å; K52-D56 PolarHBondContact O-N 2.64Å; D56-L58 PolarHBondContact O-N 3.34Å; D56-A59 PolarHBondContact O-N 3.39Å; D56-R60 WeakPolarHBondContact O-CG 3.46Å; D56-R60 PolarHBondContact O-N 2.91Å; D56-R60 IonicContact OD2-CZ 3.92Å; D56-R60 IonicContact OD2-NE 3.16Å; D56-R60 PolarHBondContact OD2-NE 3.29Å; D56-R60 IonicContact OD2-NH2 2.69Å; D56-R60 PolarHBondContact OD2-NH2 3.11Å; D56-F66 HydrophobicContact CB-CD1 4.08Å; D56-F66 HydrophobicContact CB-CE1 4.36Å
57	K	97.1	Very high	96.1	Very high	132 Å²	132	70.9 Å²	70.9	57%	0.574	33%	0.331	S	S	*	.	H	α-helix	trans	-59	-48.3	174.3	-171.4	-172.8	-179.5	-153.8	0	111.5	E53 A55 A59 R60 E61	E53-K57 VanDerWaalsContact O-CB 3.28Å; E53-K57 WeakPolarHBondContact O-CB 3.48Å; E53-K57 PolarHBondContact O-N 3.03Å; A55-K57 VanDerWaalsContact C-N 3.34Å; A55-K57 PolarHBondContact O-N 3.25Å; K57-A59 VanDerWaalsContact C-N 3.3Å; K57-A59 PolarHBondContact O-N 2.93Å; K57-R60 PolarHBondContact O-N 3.5Å; K57-E61 WeakPolarHBondContact CE-OE1 3.42Å; K57-E61 IonicContact NZ-OE1 3.59Å; K57-E61 WeakPolarHBondContact O-CG 3.27Å; K57-E61 PolarHBondContact O-N 2.95Å
58	L	95.1	Very high	96.1	Very high	8 Å²	8	65.5 Å²	65.5	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-59	-42.8	177.6	-177.5	69	0	0	0	111.5	F15 I18 Q19 M22 L37 Q54 A55 D56 E61 H62	F15-L58 HydrophobicContact CE1-CD2 4.32Å; F15-L58 HydrophobicContact CE2-CD2 3.76Å; F15-L58 HydrophobicContact CZ-CB 4.11Å; F15-L58 HydrophobicContact CZ-CD2 3.55Å; F15-L58 HydrophobicContact CZ-CG 4.44Å; I18-L58 HydrophobicContact CG2-CD2 4.19Å; Q19-L58 HydrophobicContact CG-CD1 3.99Å; Q19-L58 HydrophobicContact CG-CD2 3.77Å; M22-L58 HydrophobicContact CE-CD2 4.41Å; M22-L58 HydrophobicContact CE-CG 4.28Å; L37-L58 HydrophobicContact CD2-CD2 4.45Å; Q54-L58 PolarHBondContact O-N 3.17Å; Q54-L58 VanDerWaalsContact O-N 3.11Å; A55-L58 PolarHBondContact O-N 2.97Å; D56-L58 PolarHBondContact O-N 3.34Å; L58-E61 PolarHBondContact O-N 3.23Å; L58-H62 PolarHBondContact O-CD2 3.32Å; L58-H62 VanDerWaalsContact O-CD2 3.3Å; L58-H62 PolarHBondContact O-N 2.95Å
59	A	95.8	Very high	96.1	Very high	2 Å²	2	64.1 Å²	64.1	2%	0.017	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-43.1	178.1	0	0	0	0	0	112.1	L37 A55 D56 K57 H62 G63 I64 F66	L37-A59 HydrophobicContact CD2-CB 4.19Å; A55-A59 WeakPolarHBondContact O-CB 3.48Å; A55-A59 PolarHBondContact O-N 3.27Å; D56-A59 PolarHBondContact O-N 3.39Å; K57-A59 VanDerWaalsContact C-N 3.3Å; K57-A59 PolarHBondContact O-N 2.93Å; A59-H62 CarbonylContact O-C 3.48Å; A59-H62 PolarHBondContact O-N 2.9Å; A59-G63 PolarHBondContact O-N 3.2Å; A59-I64 CarbonylContact C-O 3.49Å; A59-I64 HydrophobicContact CB-CG1 4.27Å; A59-I64 WeakPolarHBondContact CB-O 3.32Å; A59-I64 PolarHBondContact O-N 3.21Å; A59-F66 HydrophobicContact CB-CB 3.61Å; A59-F66 HydrophobicContact CB-CG 4.49Å
60	R	95.1	Very high	96.1	Very high	185 Å²	185	58 Å²	58	70%	0.698	28%	0.277	S	S	*	.	H	α-helix	trans	-62.9	-43.7	175.6	-70	178.8	-165.8	-144	5.7	112.6	D56 K57 H62 G63	D56-R60 WeakPolarHBondContact O-CG 3.46Å; D56-R60 PolarHBondContact O-N 2.91Å; D56-R60 IonicContact OD2-CZ 3.92Å; D56-R60 IonicContact OD2-NE 3.16Å; D56-R60 PolarHBondContact OD2-NE 3.29Å; D56-R60 IonicContact OD2-NH2 2.69Å; D56-R60 PolarHBondContact OD2-NH2 3.11Å; K57-R60 PolarHBondContact O-N 3.5Å; R60-H62 PolarHBondContact O-N 3.49Å; R60-G63 PolarHBondContact O-N 3.46Å
61	E	93.6	Very high	96.1	Very high	122 Å²	122	61.3 Å²	61.3	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-59	-34.9	177.5	-74.6	172.7	178.4	0	0	112.1	K57 L58	K57-E61 WeakPolarHBondContact CE-OE1 3.42Å; K57-E61 IonicContact NZ-OE1 3.59Å; K57-E61 WeakPolarHBondContact O-CG 3.27Å; K57-E61 PolarHBondContact O-N 2.95Å; L58-E61 PolarHBondContact O-N 3.23Å
62	H	91	Very high	96	Very high	42 Å²	42	64.7 Å²	64.7	19%	0.194	32%	0.317	C	S	.	.	H	α-helix	trans	-91.4	-3.4	176.8	-74.2	-77.7	0	0	0	114.2	M22 L58 A59 R60 I64	M22-H62 HydrophobicContact CE-CB 4.11Å; M22-H62 HydrophobicContact SD-CB 4.12Å; L58-H62 PolarHBondContact O-CD2 3.32Å; L58-H62 VanDerWaalsContact O-CD2 3.3Å; L58-H62 PolarHBondContact O-N 2.95Å; A59-H62 CarbonylContact O-C 3.48Å; A59-H62 PolarHBondContact O-N 2.9Å; R60-H62 PolarHBondContact O-N 3.49Å; H62-I64 VanDerWaalsContact C-N 3.34Å; H62-I64 HydrophobicContact CB-CG1 4.47Å; H62-I64 HydrophobicContact CB-CG2 4.49Å
63	G	91.5	Very high	95.9	Very high	69 Å²	69	62.8 Å²	62.8	71%	0.711	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	35.9	-179.1	0	0	0	0	0	113.4	A59 R60	A59-G63 PolarHBondContact O-N 3.2Å; R60-G63 PolarHBondContact O-N 3.46Å
64	I	93.3	Very high	95.7	Very high	19 Å²	19	60.7 Å²	60.7	10%	0.097	32%	0.317	C	S	.	.			trans	-121	161.7	179.1	73.3	167.1	0	0	0	110.9	L5 M22 R35 L37 A59 H62	L5-I64 HydrophobicContact CD1-CD1 4.47Å; M22-I64 HydrophobicContact CE-CD1 3.27Å; M22-I64 HydrophobicContact CE-CG1 3.92Å; M22-I64 HydrophobicContact SD-CD1 3.67Å; R35-I64 HydrophobicContact CB-CB 4.25Å; R35-I64 HydrophobicContact CB-CD1 4.23Å; R35-I64 HydrophobicContact CB-CG2 3.67Å; L37-I64 HydrophobicContact CB-CD1 3.96Å; A59-I64 CarbonylContact C-O 3.49Å; A59-I64 HydrophobicContact CB-CG1 4.27Å; A59-I64 WeakPolarHBondContact CB-O 3.32Å; A59-I64 PolarHBondContact O-N 3.21Å; H62-I64 VanDerWaalsContact C-N 3.34Å; H62-I64 HydrophobicContact CB-CG1 4.47Å; H62-I64 HydrophobicContact CB-CG2 4.49Å
65	R	94.8	Very high	95.7	Very high	78 Å²	78	61.3 Å²	61.3	29%	0.294	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	156.2	176.7	-72.7	-170.5	-62.4	-126.5	3	112.2	L36 L37 F67 S83 D87	L36-R65 HydrophobicContact CD1-CB 3.65Å; L36-R65 WeakPolarHBondContact CD1-O 3.09Å; L37-R65 PolarHBondContact N-O 3.29Å; R65-F67 HydrophobicContact CB-CE2 4.34Å; R65-S83 PolarHBondContact NE-OG 3.41Å; R65-S83 VanDerWaalsContact NE-OG 3.12Å; R65-S83 PolarHBondContact NH2-O 3.4Å; R65-S83 PolarHBondContact NH2-OG 2.68Å; R65-D87 IonicContact CZ-OD1 2.74Å; R65-D87 VanDerWaalsContact CZ-OD1 3.28Å; R65-D87 IonicContact CZ-OD2 2.79Å; R65-D87 IonicContact NE-OD2 2.71Å; R65-D87 IonicContact NH1-OD1 3.28Å; R65-D87 PolarHBondContact NH1-OD1 3.38Å; R65-D87 IonicContact NH1-OD2 2.89Å; R65-D87 PolarHBondContact NH1-OD2 3.33Å; R65-D87 IonicContact NH2-OD1 3.01Å; R65-D87 PolarHBondContact NH2-OD1 3.23Å; R65-D87 IonicContact NH2-OD2 2.8Å; R65-D87 PolarHBondContact NH2-OD2 2.95Å
66	F	97.8	Very high	95.7	Very high	27 Å²	27	64.3 Å²	64.3	12%	0.118	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.4	179	169.5	-122.3	0	0	0	111.3	Y7 L37 K52 A55 D56 A59 E68	Y7-F66 HydrophobicContact CE1-CE2 4.08Å; L37-F66 HydrophobicContact CB-CD2 4.19Å; L37-F66 HydrophobicContact CD2-CD2 3.99Å; L37-F66 HydrophobicContact CG-CD2 3.85Å; L37-F66 HydrophobicContact CG-CE2 4.45Å; L37-F66 VanDerWaalsContact O-CA 3.29Å; L37-F66 WeakPolarHBondContact O-CA 3.46Å; K52-F66 HydrophobicContact CG-CE1 3.79Å; K52-F66 HydrophobicContact CG-CZ 4.3Å; A55-F66 HydrophobicContact CB-CD2 4.4Å; A55-F66 HydrophobicContact CB-CE1 4.05Å; A55-F66 HydrophobicContact CB-CE2 3.77Å; A55-F66 HydrophobicContact CB-CZ 3.56Å; D56-F66 HydrophobicContact CB-CD1 4.08Å; D56-F66 HydrophobicContact CB-CE1 4.36Å; A59-F66 HydrophobicContact CB-CB 3.61Å; A59-F66 HydrophobicContact CB-CG 4.49Å; F66-E68 HydrophobicContact CE1-CG 4.14Å; F66-E68 HydrophobicContact CE2-CG 4.16Å; F66-E68 HydrophobicContact CZ-CG 3.47Å; F66-E68 VanDerWaalsContact CZ-CG 3.47Å
67	F	97.9	Very high	95.7	Very high	32 Å²	32	63.6 Å²	63.6	14%	0.14	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.4	168.1	-64.6	-97.4	0	0	0	109.8	L36 L37 L38 G39 R65 T69 E79 A80	L36-F67 HydrophobicContact CD1-CD2 3.6Å; L36-F67 HydrophobicContact CD1-CE2 3.74Å; L36-F67 HydrophobicContact CD2-CD2 4.45Å; L36-F67 HydrophobicContact CG-CD2 4.44Å; L37-F67 PolarHBondContact O-N 3.37Å; L38-F67 CarbonylContact C-O 3.34Å; L38-F67 VanDerWaalsContact CA-O 3.26Å; L38-F67 WeakPolarHBondContact CA-O 3.28Å; L38-F67 HydrophobicContact CD2-CB 3.74Å; L38-F67 HydrophobicContact CD2-CD2 4.36Å; L38-F67 HydrophobicContact CD2-CG 4.48Å; G39-F67 PolarHBondContact N-O 2.98Å; R65-F67 HydrophobicContact CB-CE2 4.34Å; F67-T69 HydrophobicContact CB-CG2 4.35Å; F67-E79 HydrophobicContact CE1-CG 3.91Å; F67-E79 HydrophobicContact CZ-CG 4.46Å; F67-A80 HydrophobicContact CB-CB 4.46Å; F67-A80 HydrophobicContact CD2-CB 4.34Å; F67-A80 HydrophobicContact CG-CB 4.34Å
68	E	98.3	Very high	95.6	Very high	22 Å²	22	63 Å²	63	10%	0.103	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	135.6	160.3	-68.3	-162.2	146.8	0	0	109.3	G39 C42 R48 K52 F66 N76	G39-E68 CarbonylContact O-C 3.54Å; G39-E68 VanDerWaalsContact O-CA 3.25Å; G39-E68 WeakPolarHBondContact O-CA 3.44Å; C42-E68 HydrophobicContact CB-CB 3.95Å; R48-E68 IonicContact CZ-OE1 3.35Å; R48-E68 IonicContact CZ-OE2 3.84Å; R48-E68 IonicContact NH1-OE1 3.9Å; R48-E68 PolarHBondContact NH1-OE1 3.48Å; R48-E68 IonicContact NH1-OE2 2.72Å; R48-E68 IonicContact NH2-OE1 3.14Å; R48-E68 PolarHBondContact NH2-OE1 3.26Å; R48-E68 VanDerWaalsContact NH2-OE1 3.14Å; R48-E68 IonicContact NH2-OE2 2.91Å; R48-E68 PolarHBondContact NH2-OE2 2.62Å; K52-E68 HydrophobicContact CG-CG 4.36Å; F66-E68 HydrophobicContact CE1-CG 4.14Å; F66-E68 HydrophobicContact CE2-CG 4.16Å; F66-E68 HydrophobicContact CZ-CG 3.47Å; F66-E68 VanDerWaalsContact CZ-CG 3.47Å; E68-N76 VanDerWaalsContact O-CB 3.26Å; E68-N76 WeakPolarHBondContact O-CB 3.26Å; E68-N76 PolarHBondContact O-ND2 3.19Å
69	T	98.4	Very high	95.6	Very high	6 Å²	6	68 Å²	68	4%	0.037	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	156.3	-175	59.1	0	0	0	0	110.7	L38 G39 N40 K41 C42 F67 M75 N76 A80	L38-T69 HydrophobicContact CD1-CG2 4.36Å; L38-T69 HydrophobicContact CD2-CG2 4Å; G39-T69 PolarHBondContact O-N 2.93Å; N40-T69 CarbonylContact C-O 3.53Å; N40-T69 VanDerWaalsContact CA-O 3.26Å; N40-T69 WeakPolarHBondContact CA-O 3.37Å; N40-T69 PolarHBondContact OD1-O 3.03Å; K41-T69 PolarHBondContact N-O 3.33Å; C42-T69 PolarHBondContact N-O 3.01Å; C42-T69 VanDerWaalsContact N-O 3.09Å; C42-T69 PolarHBondContact SG-O 2.85Å; F67-T69 HydrophobicContact CB-CG2 4.35Å; T69-M75 VanDerWaalsContact CA-O 3.29Å; T69-M75 WeakPolarHBondContact CA-O 3.39Å; T69-N76 HydrophobicContact CG2-CB 4.04Å; T69-A80 HydrophobicContact CG2-CB 4.26Å
70	S	97.9	Very high	95.7	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-130.5	110	164.2	173	0	0	0	0	108.3	D43 K72 S73 S74 M75	D43-S70 VanDerWaalsContact CG-OG 3.27Å; D43-S70 VanDerWaalsContact OD1-CB 3.27Å; D43-S70 WeakPolarHBondContact OD1-CB 3.41Å; D43-S70 PolarHBondContact OD1-OG 2.8Å; S70-K72 PolarHBondContact O-N 3Å; S70-K72 PolarHBondContact OG-N 2.8Å; S70-S73 WeakPolarHBondContact CB-OG 3.49Å; S70-S73 PolarHBondContact O-N 2.75Å; S70-S73 PolarHBondContact OG-N 3.28Å; S70-S73 VanDerWaalsContact OG-N 3.09Å; S70-S73 PolarHBondContact OG-OG 2.94Å; S70-S74 CarbonylContact O-C 3.51Å; S70-S74 VanDerWaalsContact O-CA 3.26Å; S70-S74 WeakPolarHBondContact O-CA 3.15Å; S70-S74 PolarHBondContact O-N 3.03Å; S70-M75 PolarHBondContact N-O 3.3Å; S70-M75 PolarHBondContact O-N 2.96Å; S70-M75 VanDerWaalsContact O-N 3.07Å
71	A	96.7	Very high	95.7	Very high	70 Å²	70	64.8 Å²	64.8	58%	0.579	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.7	170.5	0	0	0	0	0	111.9	N40	N40-A71 PolarHBondContact OD1-N 2.8Å
72	K	96	Very high	95.8	Very high	176 Å²	176	62 Å²	62	77%	0.765	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-45.2	-179.8	-177.6	-175.8	175.8	-173.2	0	112.4	D43 S70	D43-K72 WeakPolarHBondContact OD2-CD 3.44Å; S70-K72 PolarHBondContact O-N 3Å; S70-K72 PolarHBondContact OG-N 2.8Å
73	S	94.9	Very high	96.1	Very high	64 Å²	64	60.5 Å²	60.5	45%	0.448	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	3.7	179.9	64.2	0	0	0	0	113.4	S70 M75	S70-S73 WeakPolarHBondContact CB-OG 3.49Å; S70-S73 PolarHBondContact O-N 2.75Å; S70-S73 PolarHBondContact OG-N 3.28Å; S70-S73 VanDerWaalsContact OG-N 3.09Å; S70-S73 PolarHBondContact OG-OG 2.94Å; S73-M75 PolarHBondContact O-N 3.31Å
74	S	95.1	Very high	96.2	Very high	85 Å²	85	57.8 Å²	57.8	59%	0.594	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	24	-172.9	-53.4	0	0	0	0	113.6	S70 N76	S70-S74 CarbonylContact O-C 3.51Å; S70-S74 VanDerWaalsContact O-CA 3.26Å; S70-S74 WeakPolarHBondContact O-CA 3.15Å; S70-S74 PolarHBondContact O-N 3.03Å; S74-N76 PolarHBondContact O-N 3.3Å
75	M	96.8	Very high	96.3	Very high	96 Å²	96	59.1 Å²	59.1	47%	0.473	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-74.1	127.2	-179.6	-174.3	178.7	-68.4	0	0	110.6	T69 S70 S73 V77	T69-M75 VanDerWaalsContact CA-O 3.29Å; T69-M75 WeakPolarHBondContact CA-O 3.39Å; S70-M75 PolarHBondContact N-O 3.3Å; S70-M75 PolarHBondContact O-N 2.96Å; S70-M75 VanDerWaalsContact O-N 3.07Å; S73-M75 PolarHBondContact O-N 3.31Å; M75-V77 PolarHBondContact O-N 3.4Å
76	N	95.6	Very high	96.2	Very high	63 Å²	63	62.4 Å²	62.4	34%	0.337	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	9.1	176	-58.7	-20.1	0	0	0	115.9	E68 T69 S74 A80	E68-N76 VanDerWaalsContact O-CB 3.26Å; E68-N76 WeakPolarHBondContact O-CB 3.26Å; E68-N76 PolarHBondContact O-ND2 3.19Å; T69-N76 HydrophobicContact CG2-CB 4.04Å; S74-N76 PolarHBondContact O-N 3.3Å; N76-A80 WeakPolarHBondContact O-CB 2.85Å; N76-A80 PolarHBondContact O-N 3.3Å
77	V	96.4	Very high	95.9	Very high	37 Å²	37	62.8 Å²	62.8	22%	0.224	34%	0.339	C	S	.	.	H	α-helix	trans	-65.2	-54.8	179.6	179.1	0	0	0	0	109.6	M75 E79 A80 F81	M75-V77 PolarHBondContact O-N 3.4Å; V77-E79 VanDerWaalsContact C-N 3.32Å; V77-E79 PolarHBondContact O-N 3.24Å; V77-A80 PolarHBondContact O-N 3.08Å; V77-F81 HydrophobicContact CG1-CD2 3.93Å; V77-F81 HydrophobicContact CG1-CE2 3.94Å; V77-F81 VanDerWaalsContact O-CD2 3.28Å; V77-F81 WeakPolarHBondContact O-CD2 3.43Å; V77-F81 PolarHBondContact O-N 3.42Å; V77-F81 VanDerWaalsContact O-N 3.11Å
78	D	96	Very high	95.7	Very high	120 Å²	120	63.3 Å²	63.3	64%	0.642	34%	0.342	S	S	*	.	H	α-helix	trans	-62.7	-39.4	-178.2	-64.5	-36.2	0	0	0	112.5	S82	D78-S82 WeakPolarHBondContact O-CB 3.35Å; D78-S82 PolarHBondContact O-N 3.42Å; D78-S82 PolarHBondContact O-OG 2.71Å
79	E	95.9	Very high	95.3	Very high	112 Å²	112	68.2 Å²	68.2	52%	0.523	37%	0.369	S	S	.	.	H	α-helix	trans	-64.8	-45.1	178	-172	178.2	177.8	0	0	111.3	F67 V77 F81 S82 S83	F67-E79 HydrophobicContact CE1-CG 3.91Å; F67-E79 HydrophobicContact CZ-CG 4.46Å; V77-E79 VanDerWaalsContact C-N 3.32Å; V77-E79 PolarHBondContact O-N 3.24Å; E79-F81 PolarHBondContact O-N 2.99Å; E79-S82 PolarHBondContact O-N 3.01Å; E79-S83 WeakPolarHBondContact O-CB 3.34Å; E79-S83 PolarHBondContact O-N 2.83Å
80	A	96.9	Very high	94.8	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-57.9	-50.8	177.1	0	0	0	0	0	111.8	L36 L38 F67 T69 N76 V77 S83 L84	L36-A80 HydrophobicContact CD2-CB 4Å; L36-A80 WeakPolarHBondContact CD2-O 3.21Å; L38-A80 HydrophobicContact CD1-CB 4.32Å; L38-A80 HydrophobicContact CD2-CB 3.67Å; F67-A80 HydrophobicContact CB-CB 4.46Å; F67-A80 HydrophobicContact CD2-CB 4.34Å; F67-A80 HydrophobicContact CG-CB 4.34Å; T69-A80 HydrophobicContact CG2-CB 4.26Å; N76-A80 WeakPolarHBondContact O-CB 2.85Å; N76-A80 PolarHBondContact O-N 3.3Å; V77-A80 PolarHBondContact O-N 3.08Å; A80-S83 PolarHBondContact O-N 3.41Å; A80-L84 PolarHBondContact O-N 3.37Å; A80-L84 VanDerWaalsContact O-N 3.13Å
81	F	95.8	Very high	94.2	Very high	120 Å²	120	79.3 Å²	79.3	53%	0.526	42%	0.422	S	S	.	.	H	α-helix	trans	-65.7	-44.7	179.1	-81.3	-79.3	0	0	0	112.3	I4 V77 E79 S83 L84 A85	I4-F81 HydrophobicContact CD1-CD1 3.78Å; I4-F81 HydrophobicContact CD1-CE1 3.37Å; I4-F81 HydrophobicContact CD1-CZ 3.89Å; V77-F81 HydrophobicContact CG1-CD2 3.93Å; V77-F81 HydrophobicContact CG1-CE2 3.94Å; V77-F81 VanDerWaalsContact O-CD2 3.28Å; V77-F81 WeakPolarHBondContact O-CD2 3.43Å; V77-F81 PolarHBondContact O-N 3.42Å; V77-F81 VanDerWaalsContact O-N 3.11Å; E79-F81 PolarHBondContact O-N 2.99Å; F81-S83 VanDerWaalsContact C-N 3.29Å; F81-S83 PolarHBondContact O-N 2.91Å; F81-L84 PolarHBondContact O-N 3.45Å; F81-A85 WeakPolarHBondContact O-CB 3.41Å; F81-A85 PolarHBondContact O-N 2.64Å
82	S	96	Very high	93.4	Very high	64 Å²	64	80.4 Å²	80.4	45%	0.448	43%	0.425	S	S	.	.	H	α-helix	trans	-61.9	-39.6	178.6	-62.8	0	0	0	0	112	D78 E79 A85 R86	D78-S82 WeakPolarHBondContact O-CB 3.35Å; D78-S82 PolarHBondContact O-N 3.42Å; D78-S82 PolarHBondContact O-OG 2.71Å; E79-S82 PolarHBondContact O-N 3.01Å; S82-A85 PolarHBondContact O-N 3.05Å; S82-R86 WeakPolarHBondContact O-CB 3.13Å; S82-R86 PolarHBondContact O-N 3.4Å
83	S	95.5	Very high	91.9	Very high	10 Å²	10	74.1 Å²	74.1	7%	0.07	41%	0.41	C	S	.	.	H	α-helix	trans	-61.4	-50.8	176.9	-172.2	0	0	0	0	110.9	R65 E79 A80 F81 A85 R86 D87	R65-S83 PolarHBondContact NE-OG 3.41Å; R65-S83 VanDerWaalsContact NE-OG 3.12Å; R65-S83 PolarHBondContact NH2-O 3.4Å; R65-S83 PolarHBondContact NH2-OG 2.68Å; E79-S83 WeakPolarHBondContact O-CB 3.34Å; E79-S83 PolarHBondContact O-N 2.83Å; A80-S83 PolarHBondContact O-N 3.41Å; F81-S83 VanDerWaalsContact C-N 3.29Å; F81-S83 PolarHBondContact O-N 2.91Å; S83-A85 PolarHBondContact O-N 3.1Å; S83-R86 WeakPolarHBondContact O-CB 3.46Å; S83-R86 PolarHBondContact O-N 3.22Å; S83-D87 PolarHBondContact O-N 3.12Å
84	L	95.3	Very high	90.1	Very high	12 Å²	12	74.3 Å²	74.3	6%	0.063	42%	0.422	C	S	.	.	H	α-helix	trans	-62.5	-43.7	177.3	-179.4	61.7	0	0	0	112.4	I4 E34 L36 A80 F81 R86 D87 I88	I4-L84 HydrophobicContact CD1-CD2 3.83Å; I4-L84 HydrophobicContact CG1-CD2 3.35Å; E34-L84 HydrophobicContact CB-CD1 3.68Å; L36-L84 HydrophobicContact CB-CD1 4.42Å; L36-L84 HydrophobicContact CB-CD2 4.44Å; L36-L84 HydrophobicContact CD2-CB 4.11Å; A80-L84 PolarHBondContact O-N 3.37Å; A80-L84 VanDerWaalsContact O-N 3.13Å; F81-L84 PolarHBondContact O-N 3.45Å; L84-R86 VanDerWaalsContact C-N 3.29Å; L84-R86 PolarHBondContact O-N 3.42Å; L84-D87 PolarHBondContact O-N 3.35Å; L84-I88 HydrophobicContact CD1-CD1 4.25Å; L84-I88 HydrophobicContact CD1-CG1 4.32Å; L84-I88 HydrophobicContact CG-CD1 3.93Å; L84-I88 HydrophobicContact CG-CG1 4.44Å; L84-I88 VanDerWaalsContact O-CG1 3.32Å; L84-I88 WeakPolarHBondContact O-CG1 3.49Å; L84-I88 PolarHBondContact O-N 2.98Å
85	A	94.4	Very high	88.2	Confident	48 Å²	48	81.6 Å²	81.6	40%	0.397	44%	0.437	S	S	.	.	H	α-helix	trans	-58.8	-42.6	178.3	0	0	0	0	0	111.7	F81 S82 S83 D87 I88 L89	F81-A85 WeakPolarHBondContact O-CB 3.41Å; F81-A85 PolarHBondContact O-N 2.64Å; S82-A85 PolarHBondContact O-N 3.05Å; S83-A85 PolarHBondContact O-N 3.1Å; A85-D87 PolarHBondContact O-N 2.83Å; A85-I88 PolarHBondContact O-N 3.5Å; A85-L89 WeakPolarHBondContact O-CB 3.44Å; A85-L89 WeakPolarHBondContact O-CD1 3.23Å; A85-L89 WeakPolarHBondContact O-CG 3.05Å; A85-L89 PolarHBondContact O-N 2.82Å
86	R	93.3	Very high	86	Confident	146 Å²	146	88.6 Å²	88.6	55%	0.551	46%	0.458	S	S	*	.	H	α-helix	trans	-59.2	-44.7	176.4	-169.3	-176.3	-60.1	126.8	0.8	111.8	S82 S83 L84 L89 L90	S82-R86 WeakPolarHBondContact O-CB 3.13Å; S82-R86 PolarHBondContact O-N 3.4Å; S83-R86 WeakPolarHBondContact O-CB 3.46Å; S83-R86 PolarHBondContact O-N 3.22Å; L84-R86 VanDerWaalsContact C-N 3.29Å; L84-R86 PolarHBondContact O-N 3.42Å; R86-L89 WeakPolarHBondContact O-CB 3.46Å; R86-L89 PolarHBondContact O-N 3.15Å; R86-L90 HydrophobicContact CG-CD1 4.14Å; R86-L90 VanDerWaalsContact O-CG 3.27Å; R86-L90 WeakPolarHBondContact O-CG 3.42Å; R86-L90 PolarHBondContact O-N 3.15Å
87	D	91.5	Very high	84	Confident	36 Å²	36	92 Å²	92	19%	0.193	49%	0.487	C	S	.	.	H	α-helix	trans	-67.2	-41.2	180	-80	30.3	0	0	0	112.5	E34 R65 S83 L84 A85 L89 L90 K91	E34-D87 HydrophobicContact CB-CB 4.45Å; E34-D87 HydrophobicContact CG-CB 3.93Å; R65-D87 IonicContact CZ-OD1 2.74Å; R65-D87 VanDerWaalsContact CZ-OD1 3.28Å; R65-D87 IonicContact CZ-OD2 2.79Å; R65-D87 IonicContact NE-OD2 2.71Å; R65-D87 IonicContact NH1-OD1 3.28Å; R65-D87 PolarHBondContact NH1-OD1 3.38Å; R65-D87 IonicContact NH1-OD2 2.89Å; R65-D87 PolarHBondContact NH1-OD2 3.33Å; R65-D87 IonicContact NH2-OD1 3.01Å; R65-D87 PolarHBondContact NH2-OD1 3.23Å; R65-D87 IonicContact NH2-OD2 2.8Å; R65-D87 PolarHBondContact NH2-OD2 2.95Å; S83-D87 PolarHBondContact O-N 3.12Å; L84-D87 PolarHBondContact O-N 3.35Å; A85-D87 PolarHBondContact O-N 2.83Å; D87-L89 VanDerWaalsContact C-N 3.28Å; D87-L89 PolarHBondContact O-N 3.39Å; D87-L90 PolarHBondContact O-N 3.38Å; D87-K91 WeakPolarHBondContact O-CB 3.4Å; D87-K91 PolarHBondContact O-N 3.27Å
88	I	92.1	Very high	81.7	Confident	42 Å²	42	93.8 Å²	93.8	22%	0.215	51%	0.512	C	S	.	.	H	α-helix	trans	-59.7	-44.4	175.1	-64.8	165.6	0	0	0	109.9	E34 L84 A85 K91 S92	E34-I88 HydrophobicContact CB-CG1 3.89Å; E34-I88 HydrophobicContact CG-CG1 4.14Å; L84-I88 HydrophobicContact CD1-CD1 4.25Å; L84-I88 HydrophobicContact CD1-CG1 4.32Å; L84-I88 HydrophobicContact CG-CD1 3.93Å; L84-I88 HydrophobicContact CG-CG1 4.44Å; L84-I88 VanDerWaalsContact O-CG1 3.32Å; L84-I88 WeakPolarHBondContact O-CG1 3.49Å; L84-I88 PolarHBondContact O-N 2.98Å; A85-I88 PolarHBondContact O-N 3.5Å; I88-K91 PolarHBondContact O-N 3.34Å; I88-S92 VanDerWaalsContact O-CB 3.26Å; I88-S92 WeakPolarHBondContact O-CB 3.36Å; I88-S92 PolarHBondContact O-N 2.84Å; I88-S92 PolarHBondContact O-OG 3.1Å
89	L	91.1	Very high	79.2	Confident	126 Å²	126	96.4 Å²	96.4	66%	0.66	53%	0.527	S	S	*	.	H	α-helix	trans	-62.6	-46.6	177.8	-84.2	156.8	0	0	0	111.8	A85 R86 D87 K91 S92 G93	A85-L89 WeakPolarHBondContact O-CB 3.44Å; A85-L89 WeakPolarHBondContact O-CD1 3.23Å; A85-L89 WeakPolarHBondContact O-CG 3.05Å; A85-L89 PolarHBondContact O-N 2.82Å; R86-L89 WeakPolarHBondContact O-CB 3.46Å; R86-L89 PolarHBondContact O-N 3.15Å; D87-L89 VanDerWaalsContact C-N 3.28Å; D87-L89 PolarHBondContact O-N 3.39Å; L89-K91 VanDerWaalsContact C-N 3.3Å; L89-K91 PolarHBondContact O-N 3.34Å; L89-S92 PolarHBondContact O-N 2.89Å; L89-G93 WeakPolarHBondContact O-CA 3.39Å; L89-G93 PolarHBondContact O-N 3.43Å
90	L	88.4	Confident	77.2	Confident	123 Å²	123	94.5 Å²	94.5	64%	0.644	54%	0.537	S	S	*	.	H	α-helix	trans	-59.9	-41.8	178.6	-73	169.9	0	0	0	111.6	R86 D87	R86-L90 HydrophobicContact CG-CD1 4.14Å; R86-L90 VanDerWaalsContact O-CG 3.27Å; R86-L90 WeakPolarHBondContact O-CG 3.42Å; R86-L90 PolarHBondContact O-N 3.15Å; D87-L90 PolarHBondContact O-N 3.38Å
91	K	84.6	Confident	74.5	Confident	116 Å²	116	102.7 Å²	102.7	50%	0.504	58%	0.581	S	S	.	*	H	α-helix	trans	-77.6	-33.5	-178.5	-158.3	161.4	-170.7	178.7	0	113.7	E34 D87 I88 L89	E34-K91 HydrophobicContact CG-CD 4.3Å; E34-K91 WeakPolarHBondContact OE1-CD 3.48Å; E34-K91 WeakPolarHBondContact OE1-CE 3.15Å; E34-K91 IonicContact OE1-NZ 2.64Å; E34-K91 PolarHBondContact OE1-NZ 3.28Å; D87-K91 WeakPolarHBondContact O-CB 3.4Å; D87-K91 PolarHBondContact O-N 3.27Å; I88-K91 PolarHBondContact O-N 3.34Å; L89-K91 VanDerWaalsContact C-N 3.3Å; L89-K91 PolarHBondContact O-N 3.34Å
92	S	79.6	Confident	72.4	Confident	92 Å²	92	106.2 Å²	106.2	64%	0.643	60%	0.596	S	S	*	*	H	α-helix	trans	-76.6	-26.4	175	-50.2	0	0	0	0	112.1	I88 L89	I88-S92 VanDerWaalsContact O-CB 3.26Å; I88-S92 WeakPolarHBondContact O-CB 3.36Å; I88-S92 PolarHBondContact O-N 2.84Å; I88-S92 PolarHBondContact O-OG 3.1Å; L89-S92 PolarHBondContact O-N 2.89Å
93	G	65.6	Low	70.3	Confident	44 Å²	44	108.8 Å²	108.8	45%	0.454	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.7	13	-172.3	0	0	0	0	0	115.9	L89 R95 R96	L89-G93 WeakPolarHBondContact O-CA 3.39Å; L89-G93 PolarHBondContact O-N 3.43Å; G93-R95 PolarHBondContact O-N 3.34Å; G93-R96 PolarHBondContact O-N 2.88Å
94	G	56.4	Low	67.8	Low	69 Å²	69	113.8 Å²	113.8	71%	0.711	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	36.6	176.3	0	0	0	0	0	116.1
95	R	54.3	Low	65.3	Low	238 Å²	238	118.1 Å²	118.1	90%	0.898	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.9	44.2	164.6	-75.1	-165	-176.8	152.8	1.2	113.3	G93	G93-R95 PolarHBondContact O-N 3.34Å
96	R	52.3	Low	62.9	Low	242 Å²	242	121.3 Å²	121.3	91%	0.913	69%	0.689	S	S	*	*			trans	-138.6	90.7	156	-74.7	-166.2	164.4	171.5	-5.3	111.1	G93	G93-R96 PolarHBondContact O-N 2.88Å
97	S	53.5	Low	60.6	Low	135 Å²	135	121.2 Å²	121.2	94%	0.944	70%	0.7	S	S	*	*			trans	-66.4	131	149.5	-83.1	0	0	0	0	108.2
98	G	47.3	Very low	58.3	Low	74 Å²	74	126.8 Å²	126.8	76%	0.763	73%	0.729	S	S	*	*			trans	145.5	97.7	164.3	0	0	0	0	0	116
99	N	44.3	Very low	55.9	Low	176 Å²	176	134 Å²	134	94%	0.941	76%	0.759	S	S	*	*			trans	67.6	134.4	154.2	-94.9	12.6	0	0	0	121.5
100	G	52.2	Low	53.4	Low	72 Å²	72	133.9 Å²	133.9	74%	0.742	76%	0.763	S	S	*	*			trans	-67.4	153.4	-167.9	0	0	0	0	0	116.2
101	N	42.1	Very low	51.1	Low	171 Å²	171	133.7 Å²	133.7	91%	0.914	77%	0.771	S	S	*	*			trans	-153.2	133.3	147.7	-108.8	-19.2	0	0	0	108.8
102	K	49.7	Very low	49	Very low	195 Å²	195	134.2 Å²	134.2	85%	0.848	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-53.9	146.5	175.6	-77.1	174.1	173	178.2	0	110.5
103	P	52.6	Low	47.4	Very low	117 Å²	117	140 Å²	140	76%	0.76	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-62.8	144.7	170.5	27.6	-32.7	0	0	0	110	S105	P103-S105 PolarHBondContact O-N 3.31Å
104	P	44	Very low	46.3	Very low	115 Å²	115	146.5 Å²	146.5	75%	0.747	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-67.3	128	173.5	27.7	-30	0	0	0	109	T106	P104-T106 PolarHBondContact O-N 3.4Å; P104-T106 VanDerWaalsContact O-N 3.09Å
105	S	42.9	Very low	45.4	Very low	103 Å²	103	149.4 Å²	149.4	72%	0.72	81%	0.808	S	S	*	*			trans	-59.9	107.3	168.7	-173.5	0	0	0	0	108.3	P103 D107	P103-S105 PolarHBondContact O-N 3.31Å; S105-D107 PolarHBondContact O-N 3.31Å
106	T	42.8	Very low	44.9	Very low	115 Å²	115	144.4 Å²	144.4	71%	0.706	80%	0.804	S	S	*	*			trans	-84.9	97.7	162.8	50.4	0	0	0	0	107.1	P104 L108	P104-T106 PolarHBondContact O-N 3.4Å; P104-T106 VanDerWaalsContact O-N 3.09Å; T106-L108 PolarHBondContact O-N 3.32Å
107	D	44.6	Very low	44.4	Very low	144 Å²	144	139.5 Å²	139.5	77%	0.77	80%	0.795	S	S	*	*			trans	-59.4	87.1	163.9	-82.5	-81.8	0	0	0	109.3	S105 K109	S105-D107 PolarHBondContact O-N 3.31Å; D107-K109 PolarHBondContact O-N 3.05Å
108	L	44.2	Very low	44.2	Very low	153 Å²	153	142.6 Å²	142.6	80%	0.801	79%	0.792	S	S	*	*			trans	-76.3	96.4	162.2	-116.3	76.4	0	0	0	106.8	T106 T110	T106-L108 PolarHBondContact O-N 3.32Å; L108-T110 PolarHBondContact O-N 3.11Å
109	K	41.9	Very low	43.7	Very low	195 Å²	195	145 Å²	145	85%	0.848	80%	0.796	S	S	*	*			trans	-56.2	108.7	165.6	-86.3	179.4	175.4	178.8	0	109.1	D107 C111	D107-K109 PolarHBondContact O-N 3.05Å; K109-C111 PolarHBondContact O-N 2.82Å
110	T	39.1	Very low	43.7	Very low	123 Å²	123	141.4 Å²	141.4	76%	0.755	78%	0.784	S	S	*	*			trans	-61.5	119.1	161.9	-14.5	0	0	0	0	108.1	L108	L108-T110 PolarHBondContact O-N 3.11Å
111	C	39.8	Very low	43.2	Very low	119 Å²	119	146.6 Å²	146.6	80%	0.804	79%	0.794	S	S	*	*			trans	-100.1	97.5	163.5	-78.5	0	0	0	0	108.1	K109 K113	K109-C111 PolarHBondContact O-N 2.82Å; C111-K113 PolarHBondContact O-N 3Å
112	D	39.3	Very low	42.9	Very low	126 Å²	126	145.6 Å²	145.6	67%	0.674	82%	0.824	S	S	*	*			trans	-53.1	114.6	165.6	-70.3	-87.5	0	0	0	111.1	K114	D112-K114 PolarHBondContact O-N 3.08Å
113	K	46.7	Very low	42.6	Very low	214 Å²	214	143.1 Å²	143.1	93%	0.93	82%	0.823	S	S	*	*			trans	-89.4	83.5	159.6	-86	174.2	176.8	163	0	108.7	C111 N115	C111-K113 PolarHBondContact O-N 3Å; K113-N115 PolarHBondContact O-N 3.3Å
114	K	42.1	Very low	42.1	Very low	180 Å²	180	144.5 Å²	144.5	78%	0.783	83%	0.826	S	S	*	*			trans	-75.1	119.4	163.7	-79.7	-175.9	-177.1	175.1	0	109.9	D112	D112-K114 PolarHBondContact O-N 3.08Å
115	N	37.2	Very low	42	Very low	131 Å²	131	146.1 Å²	146.1	70%	0.701	83%	0.831	S	S	*	*			trans	-37.8	127.3	158.6	-178.7	17.1	0	0	0	113.6	K113	K113-N115 PolarHBondContact O-N 3.3Å
116	T	43.9	Very low	41.9	Very low	133 Å²	133	148.6 Å²	148.6	82%	0.816	84%	0.837	S	S	*	*			trans	-138.7	107.1	156.4	60.2	0	0	0	0	110.4
117	N	43.1	Very low	41.8	Very low	138 Å²	138	150.8 Å²	150.8	74%	0.738	85%	0.845	S	S	*	*			trans	-62.5	163.2	156.5	-76.2	-38.7	0	0	0	111.3
118	K	49	Very low	41.7	Very low	201 Å²	201	151.2 Å²	151.2	87%	0.874	85%	0.85	S	S	*	*			trans	79.9	115.4	158.7	-101.8	176.8	174.9	177.8	0	117.7
119	C	35.6	Very low	41.5	Very low	125 Å²	125	151.1 Å²	151.1	85%	0.845	85%	0.854	S	S	*	*				-178.3	152.4	91.5	-100.7	0	0	0	0	112.4
120	S	44.3	Very low	41.5	Very low	99 Å²	99	147.7 Å²	147.7	69%	0.692	85%	0.854	S	S	*	*			trans	-96	159.1	-169.9	41.4	0	0	0	0	113.8
121	L	41.5	Very low	41.6	Very low	181 Å²	181	149.8 Å²	149.8	95%	0.948	86%	0.863	S	S	*	*			trans	57.3	126.7	147.5	-77.2	150	0	0	0	119.1
122	G	37.3	Very low	41.8	Very low	150 Å²	150	152.5 Å²	152.5	100%	1.546	87%	0.868	S	S	*	*			trans	175.4	0	166.5	0	0	0	0	0	109.1

Retrieved 122 of 122 residues in 77.5 ms (Link to these results)

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