A0A060X1U1_ONCMY Loading...

RNA ligase 1

Functions as an RNA ligase, in vitro. The ligation reaction entails three nucleotidyl transfer steps. In the first step, the RNA ligase reacts with ATP in the absence of nucleic acid to form a covalent ligase-AMP intermediate and release pyrophosphate. In step 2, the ligase-AMP binds to the nucleic acid and transfers the adenylate to the 5'-PO4 terminus to form an adenylylated intermediate. In step 3, the RNA ligase directs the attack of the 3'-OH on the 5'-phosphoanhydride linkage, resulting in a repaired 3'-5' phosphodiester and release of AMP. Exhibits selectivity for single-stranded RNA substrates and may not have nick-sealing activity on double-stranded DNA-RNA hybrids. May play a role in maintaining RNA integrity under stress conditions, for example in response to reactive oxygen species (ROS).

AlphaFold DB , UniProt , Accession A0A060X1U1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 325 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	68.2	Low	193 Å²	193	85.2 Å²	85.2	95%	0.951	38%	0.384	S	S	*	.				0	133.2	0	-83.1	169.7	168.4	0	0	109.2	R3	M1-R3 PolarHBondContact O-N 3.28Å
2	R	40.8	Very low	70.2	Confident	201 Å²	201	82.1 Å²	82.1	76%	0.758	38%	0.38	S	S	*	.			trans	-64.1	126.6	171.8	-155.8	174.3	-171.8	-178.7	-0	107	F4	R2-F4 HydrophobicContact CB-CE1 4.44Å; R2-F4 HydrophobicContact CB-CZ 4.16Å; R2-F4 WeakPolarHBondContact O-CD2 3.25Å; R2-F4 PolarHBondContact O-N 3.28Å; R2-F4 VanDerWaalsContact O-N 3.14Å
3	R	59.8	Low	72.2	Confident	193 Å²	193	76.7 Å²	76.7	73%	0.728	36%	0.357	S	S	*	.			trans	-72.1	106.6	179.9	-67.3	-178.8	-179.6	-179.4	-2	108	M1	M1-R3 PolarHBondContact O-N 3.28Å
4	F	63.1	Low	74	Confident	78 Å²	78	71.2 Å²	71.2	34%	0.342	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-78.9	160.8	174.3	-62.4	-67.9	0	0	0	110.4	R2 S6 L53	R2-F4 HydrophobicContact CB-CE1 4.44Å; R2-F4 HydrophobicContact CB-CZ 4.16Å; R2-F4 WeakPolarHBondContact O-CD2 3.25Å; R2-F4 PolarHBondContact O-N 3.28Å; R2-F4 VanDerWaalsContact O-N 3.14Å; F4-S6 PolarHBondContact O-N 3.02Å; F4-L53 HydrophobicContact CD1-CD2 3.75Å; F4-L53 HydrophobicContact CD2-CD2 4.49Å; F4-L53 HydrophobicContact CE1-CD2 3.31Å; F4-L53 HydrophobicContact CE2-CD2 4.11Å; F4-L53 HydrophobicContact CG-CD2 4.33Å; F4-L53 HydrophobicContact CZ-CD2 3.5Å
5	G	59.8	Low	75.6	Confident	18 Å²	18	66.5 Å²	66.5	19%	0.186	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-54.6	132.3	-168.6	0	0	0	0	0	112.9
6	S	75.6	Confident	76.9	Confident	31 Å²	31	66.9 Å²	66.9	22%	0.217	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-80.9	137.2	175.8	58.8	0	0	0	0	111.3	F4 Q8 T193	F4-S6 PolarHBondContact O-N 3.02Å; S6-Q8 VanDerWaalsContact C-N 3.31Å; S6-Q8 PolarHBondContact O-N 3.26Å; S6-Q8 WeakPolarHBondContact OG-CG 3.4Å; S6-Q8 PolarHBondContact OG-NE2 3.04Å; S6-T193 WeakPolarHBondContact CA-OG1 3.36Å
7	V	77.1	Confident	77.9	Confident	14 Å²	14	67.1 Å²	67.1	9%	0.085	32%	0.321	C	S	.	.			trans	-73.9	80.8	176.7	-176.3	0	0	0	0	111.6	I11 W142 T193 H221 L261	V7-I11 HydrophobicContact CG1-CD1 4.14Å; V7-I11 HydrophobicContact CG1-CG1 4.1Å; V7-I11 HydrophobicContact CG2-CD1 3.79Å; V7-I11 HydrophobicContact CG2-CG1 4.46Å; V7-W142 VanDerWaalsContact O-CZ2 3.29Å; V7-W142 WeakPolarHBondContact O-CZ2 3.34Å; V7-T193 HydrophobicContact CB-CG2 4.21Å; V7-T193 PolarHBondContact N-OG1 3.06Å; V7-H221 WeakPolarHBondContact CG2-CE1 3.39Å; V7-H221 WeakPolarHBondContact CG2-ND1 3.4Å; V7-L261 HydrophobicContact CG2-CD1 3.75Å
8	Q	79.7	Confident	78.7	Confident	5 Å²	5	68.3 Å²	68.3	2%	0.023	33%	0.326	C	S	.	.			trans	-97	-0.5	-178.4	-60.4	-65.4	-16.2	0	0	113	S6 A121 H122 R123	S6-Q8 VanDerWaalsContact C-N 3.31Å; S6-Q8 PolarHBondContact O-N 3.26Å; S6-Q8 WeakPolarHBondContact OG-CG 3.4Å; S6-Q8 PolarHBondContact OG-NE2 3.04Å; Q8-A121 HydrophobicContact CB-CB 4.48Å; Q8-A121 WeakPolarHBondContact O-CB 3.32Å; Q8-H122 HydrophobicContact CB-CB 4.38Å; Q8-H122 HydrophobicContact CG-CB 3.97Å; Q8-R123 HydrophobicContact CB-CB 3.83Å; Q8-R123 HydrophobicContact CB-CG 3.79Å
9	Q	81.7	Confident	79.2	Confident	87 Å²	87	69.4 Å²	69.4	41%	0.407	34%	0.337	S	S	.	.	S	Bend	trans	-153.4	169.6	178.5	59.9	-175.8	-0.5	0	0	110.4	I11	Q9-I11 PolarHBondContact O-N 3.24Å
10	K	83.6	Confident	79.7	Confident	99 Å²	99	70.3 Å²	70.3	43%	0.43	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-62.9	120.9	172.5	-172.7	-179.8	178.9	-175.9	0	109	S12 H136	K10-S12 PolarHBondContact O-N 3.49Å; K10-H136 PolarHBondContact NZ-CD2 3.04Å; K10-H136 PolarHBondContact NZ-CE1 3.23Å; K10-H136 VanDerWaalsContact NZ-CG 3.34Å; K10-H136 PolarHBondContact NZ-ND1 3.49Å; K10-H136 PolarHBondContact NZ-NE2 3.47Å
11	I	88.5	Confident	80.2	Confident	18 Å²	18	74.5 Å²	74.5	9%	0.092	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-71.9	124.4	177.6	-53	177	0	0	0	109.4	V7 Q9 V253 L261 K263	V7-I11 HydrophobicContact CG1-CD1 4.14Å; V7-I11 HydrophobicContact CG1-CG1 4.1Å; V7-I11 HydrophobicContact CG2-CD1 3.79Å; V7-I11 HydrophobicContact CG2-CG1 4.46Å; Q9-I11 PolarHBondContact O-N 3.24Å; I11-V253 HydrophobicContact CD1-CG1 4.41Å; I11-L261 HydrophobicContact CD1-CB 4.29Å; I11-L261 HydrophobicContact CD1-CD1 4.15Å; I11-L261 HydrophobicContact CG1-CB 4.18Å; I11-L261 HydrophobicContact CG1-CD1 4.43Å; I11-L261 HydrophobicContact CG2-CB 4.01Å; I11-L261 WeakPolarHBondContact CG2-O 3.49Å; I11-K263 HydrophobicContact CB-CD 3.95Å; I11-K263 HydrophobicContact CB-CG 4.27Å; I11-K263 HydrophobicContact CG2-CB 3.8Å; I11-K263 HydrophobicContact CG2-CD 3.96Å; I11-K263 HydrophobicContact CG2-CG 3.76Å; I11-K263 WeakPolarHBondContact O-CE 3.23Å; I11-K263 PolarHBondContact O-NZ 2.88Å
12	S	91.7	Very high	82.5	Confident	48 Å²	48	69.2 Å²	69.2	34%	0.336	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	153.2	177.5	-67.6	0	0	0	0	112.2	K10 V262 K263	K10-S12 PolarHBondContact O-N 3.49Å; S12-V262 WeakPolarHBondContact O-CA 3.1Å; S12-K263 PolarHBondContact O-N 2.87Å
13	C	96.1	Very high	84.6	Confident	12 Å²	12	65.7 Å²	65.7	8%	0.081	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	141.7	168.9	-173.2	0	0	0	0	109.9	F15 T17 N41 K263 H268	C13-F15 CarbonylContact C-O 3.57Å; C13-F15 WeakPolarHBondContact CB-O 3.37Å; C13-F15 PolarHBondContact O-N 2.98Å; C13-F15 PolarHBondContact SG-O 3.47Å; C13-T17 HydrophobicContact CB-CG2 3.51Å; C13-N41 WeakPolarHBondContact O-CB 3.29Å; C13-N41 PolarHBondContact O-ND2 2.9Å; C13-N41 VanDerWaalsContact O-ND2 3.11Å; C13-K263 CarbonylContact C-O 3.6Å; C13-K263 WeakPolarHBondContact CA-O 3.38Å; C13-H268 PolarHBondContact SG-ND1 3.44Å
14	V	97.6	Very high	85.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-62.9	-27.1	176.5	73.9	0	0	0	0	112	N41 A44 I49 V232 W254 V262 K263 L264	V14-N41 VanDerWaalsContact O-CB 3.26Å; V14-N41 WeakPolarHBondContact O-CB 3.27Å; V14-N41 PolarHBondContact O-N 2.86Å; V14-A44 HydrophobicContact CG2-CB 4.07Å; V14-I49 HydrophobicContact CG2-CG1 4.34Å; V14-V232 HydrophobicContact CG1-CG1 4.46Å; V14-V232 HydrophobicContact CG2-CG1 3.46Å; V14-V232 VanDerWaalsContact CG2-CG1 3.46Å; V14-V232 HydrophobicContact CG2-CG2 4.5Å; V14-W254 HydrophobicContact CB-CE3 4.29Å; V14-W254 HydrophobicContact CB-CZ3 3.92Å; V14-W254 HydrophobicContact CG1-CH2 4.17Å; V14-W254 HydrophobicContact CG1-CZ3 3.86Å; V14-W254 HydrophobicContact CG2-CE3 4.32Å; V14-W254 HydrophobicContact CG2-CZ3 4.22Å; V14-V262 HydrophobicContact CB-CB 4.47Å; V14-V262 HydrophobicContact CB-CG2 4.29Å; V14-V262 HydrophobicContact CG2-CG2 4.03Å; V14-K263 PolarHBondContact N-O 3.45Å; V14-L264 HydrophobicContact CG1-CB 3.86Å; V14-L264 HydrophobicContact CG1-CD1 4.34Å; V14-L264 HydrophobicContact CG1-CD2 4.17Å; V14-L264 HydrophobicContact CG1-CG 4.38Å
15	F	97.9	Very high	86.7	Confident	1 Å²	1	60.1 Å²	60.1	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	154.9	169	-59.8	-70.4	0	0	0	110.9	C13 A36 T37 N39 V40 V232 Y234 L237 L264	C13-F15 CarbonylContact C-O 3.57Å; C13-F15 WeakPolarHBondContact CB-O 3.37Å; C13-F15 PolarHBondContact O-N 2.98Å; C13-F15 PolarHBondContact SG-O 3.47Å; F15-A36 HydrophobicContact CB-CB 3.79Å; F15-A36 HydrophobicContact CD2-CB 4.02Å; F15-A36 HydrophobicContact CG-CB 4.27Å; F15-T37 WeakPolarHBondContact CB-O 3.44Å; F15-N39 CarbonylContact C-O 3.47Å; F15-N39 VanDerWaalsContact CA-O 3.29Å; F15-N39 WeakPolarHBondContact CA-O 3.46Å; F15-V40 HydrophobicContact CD1-CG2 4.13Å; F15-V40 HydrophobicContact CE1-CG2 3.9Å; F15-V232 HydrophobicContact CE1-CG1 4.46Å; F15-V232 HydrophobicContact CZ-CG1 4.39Å; F15-Y234 HydrophobicContact CD2-CD2 4.24Å; F15-Y234 HydrophobicContact CE2-CD2 4.21Å; F15-Y234 HydrophobicContact CG-CD2 4.46Å; F15-Y234 HydrophobicContact CZ-CD2 4.43Å; F15-L237 HydrophobicContact CE2-CD1 3.79Å; F15-L237 HydrophobicContact CZ-CD1 3.74Å; F15-L264 HydrophobicContact CD2-CD1 4.01Å; F15-L264 HydrophobicContact CD2-CD2 4.25Å; F15-L264 HydrophobicContact CE2-CD1 4.36Å; F15-L264 HydrophobicContact CE2-CD2 3.76Å
16	L	95.9	Very high	87.5	Confident	73 Å²	73	63.9 Å²	63.9	38%	0.382	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	142.1	164.8	-65.4	178.3	0	0	0	109.6	T37 N39 N41	L16-T37 PolarHBondContact O-N 3.18Å; L16-T37 PolarHBondContact O-OG1 2.95Å; L16-N39 HydrophobicContact CD1-CB 4.03Å; L16-N39 HydrophobicContact CG-CB 4.44Å; L16-N39 PolarHBondContact N-O 3.11Å; L16-N41 HydrophobicContact CD2-CB 4.46Å
17	T	94.1	Very high	87.6	Confident	70 Å²	70	69.9 Å²	69.9	43%	0.429	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.2	-178.9	56.4	0	0	0	0	112.1	C13 V34 V35	C13-T17 HydrophobicContact CB-CG2 3.51Å; T17-V34 HydrophobicContact CG2-CG1 4.22Å; T17-V35 CarbonylContact C-O 3.46Å; T17-V35 WeakPolarHBondContact CA-O 3.13Å; T17-V35 WeakPolarHBondContact CB-O 3.48Å
18	E	92.2	Very high	87.6	Confident	88 Å²	88	78 Å²	78	41%	0.411	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	160.4	172.3	64.4	-178.7	-171.5	0	0	111.3	K20 V34 V35 T37	E18-K20 HydrophobicContact CG-CG 4.48Å; E18-K20 WeakPolarHBondContact OE1-CE 3.44Å; E18-K20 IonicContact OE1-NZ 2.75Å; E18-V34 CarbonylContact O-C 3.49Å; E18-V34 WeakPolarHBondContact O-CA 3.28Å; E18-V35 HydrophobicContact CG-CG2 3.76Å; E18-V35 PolarHBondContact N-O 2.83Å; E18-V35 PolarHBondContact O-N 3.45Å; E18-T37 HydrophobicContact CB-CG2 4.26Å; E18-T37 HydrophobicContact CG-CG2 3.92Å
19	V	89.7	Confident	87.7	Confident	90 Å²	90	83.1 Å²	83.1	55%	0.545	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124	172.9	-176.6	0	0	0	0	108.3	F32 Q33 V34	V19-F32 HydrophobicContact CG1-CB 4.11Å; V19-F32 HydrophobicContact CG1-CD2 3.95Å; V19-F32 HydrophobicContact CG1-CG 4.37Å; V19-Q33 CarbonylContact C-O 3.59Å; V19-Q33 WeakPolarHBondContact CA-O 3.5Å; V19-V34 HydrophobicContact CG2-CG2 4.35Å
20	K	89.3	Confident	87.8	Confident	86 Å²	86	80.8 Å²	80.8	37%	0.374	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.6	171.2	-67.7	-172.9	178.4	176.1	0	109.9	E18 E22 F32 Q33 V35	E18-K20 HydrophobicContact CG-CG 4.48Å; E18-K20 WeakPolarHBondContact OE1-CE 3.44Å; E18-K20 IonicContact OE1-NZ 2.75Å; K20-E22 HydrophobicContact CB-CG 3.91Å; K20-E22 WeakPolarHBondContact CB-OE1 3.23Å; K20-E22 WeakPolarHBondContact CD-OE1 3.14Å; K20-E22 PolarHBondContact O-N 3.32Å; K20-F32 CarbonylContact O-C 3.54Å; K20-F32 WeakPolarHBondContact O-CA 3.49Å; K20-F32 WeakPolarHBondContact O-CB 3.38Å; K20-Q33 HydrophobicContact CB-CG 4.46Å; K20-Q33 PolarHBondContact N-O 3.3Å; K20-Q33 PolarHBondContact O-N 3.02Å; K20-V35 HydrophobicContact CD-CG2 3.64Å; K20-V35 HydrophobicContact CG-CG2 3.83Å
21	E	89.3	Confident	88	Confident	160 Å²	160	82 Å²	82	75%	0.748	40%	0.4	S	S	*	.	S	Bend	trans	-79.1	64.3	175.6	-62.2	-62.7	158	0	0	110.5	Q31	E21-Q31 CarbonylContact C-O 3.56Å
22	E	88.3	Confident	88	Confident	81 Å²	81	85.4 Å²	85.4	38%	0.379	41%	0.414	S	S	.	.	S	Bend	trans	-138.9	159.5	177.1	66.6	-172.4	160.3	0	0	110.7	K20 S24 Q31 F32 Q33	K20-E22 HydrophobicContact CB-CG 3.91Å; K20-E22 WeakPolarHBondContact CB-OE1 3.23Å; K20-E22 WeakPolarHBondContact CD-OE1 3.14Å; K20-E22 PolarHBondContact O-N 3.32Å; E22-S24 PolarHBondContact O-N 3.33Å; E22-Q31 CarbonylContact C-O 3.59Å; E22-Q31 PolarHBondContact N-O 2.85Å; E22-Q31 CarbonylContact O-C 3.5Å; E22-F32 CarbonylContact O-C 3.48Å; E22-F32 WeakPolarHBondContact O-CA 3.39Å; E22-F32 PolarHBondContact O-N 2.9Å; E22-F32 VanDerWaalsContact O-N 3.14Å; E22-Q33 HydrophobicContact CG-CG 3.66Å; E22-Q33 PolarHBondContact O-N 3.32Å; E22-Q33 PolarHBondContact OE1-NE2 2.89Å
23	Q	85.3	Confident	87.8	Confident	128 Å²	128	83.5 Å²	83.5	60%	0.598	40%	0.4	S	S	*	.			trans	-58	128.1	-176.3	-173.4	174.3	11.2	0	0	111.6	R25 Q30	Q23-R25 PolarHBondContact O-N 2.79Å; Q23-Q30 WeakPolarHBondContact CA-O 3.38Å
24	S	84.6	Confident	87.5	Confident	12 Å²	12	85.4 Å²	85.4	8%	0.084	41%	0.411	C	S	.	.			trans	-64.8	130.7	179.3	-173.6	0	0	0	0	111.7	E22 K26 R27 Q30 F32	E22-S24 PolarHBondContact O-N 3.33Å; S24-K26 VanDerWaalsContact C-N 3.25Å; S24-K26 PolarHBondContact O-N 3.48Å; S24-K26 PolarHBondContact OG-N 3.28Å; S24-R27 PolarHBondContact OG-N 3.22Å; S24-Q30 PolarHBondContact N-O 3.07Å; S24-F32 WeakPolarHBondContact CB-O 3.24Å
25	R	81.9	Confident	87.4	Confident	142 Å²	142	85.7 Å²	85.7	54%	0.536	41%	0.413	S	S	.	.	S	Bend	trans	-78.5	-9.7	171	-61.3	-179.7	-177.4	-164.4	2.4	113.4	Q23 G270	Q23-R25 PolarHBondContact O-N 2.79Å; R25-G270 WeakPolarHBondContact CD-O 3.45Å; R25-G270 PolarHBondContact NH1-O 3.47Å
26	K	77.6	Confident	87.3	Confident	97 Å²	97	85.8 Å²	85.8	42%	0.422	41%	0.414	S	S	.	.	S	Bend	trans	-97.8	-33.5	178.5	-176.5	169.7	-177.2	160.3	0	113	S24 H265 H267	S24-K26 VanDerWaalsContact C-N 3.25Å; S24-K26 PolarHBondContact O-N 3.48Å; S24-K26 PolarHBondContact OG-N 3.28Å; K26-H265 PolarHBondContact NZ-NE2 3.23Å; K26-H267 HydrophobicContact CB-CB 4.25Å; K26-H267 HydrophobicContact CD-CB 4.46Å
27	R	78.8	Confident	87.3	Confident	157 Å²	157	83.6 Å²	83.6	59%	0.592	40%	0.403	S	S	*	.	S	Bend	trans	-132.7	122.8	-174	-66.6	-178.5	-178.5	168.1	-1.4	111.2	S24 Q30	S24-R27 PolarHBondContact OG-N 3.22Å; R27-Q30 HydrophobicContact CB-CB 4.07Å; R27-Q30 PolarHBondContact O-N 3.23Å
28	E	76.2	Confident	87.4	Confident	185 Å²	185	86.7 Å²	86.7	86%	0.864	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	143.5	171.1	-62.3	-175.7	171.9	0	0	110.2	Q30	E28-Q30 PolarHBondContact O-N 3.38Å; E28-Q30 VanDerWaalsContact O-N 3.13Å
29	C	81.4	Confident	87.6	Confident	111 Å²	111	87.5 Å²	87.5	75%	0.75	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	-1.4	-178.3	-51.6	0	0	0	0	117.5
30	Q	83.8	Confident	88	Confident	39 Å²	39	85 Å²	85	18%	0.182	41%	0.405	C	S	.	.			trans	-82.8	121.7	172.4	-171.4	-179.9	-56.7	0	0	110.3	Q23 S24 R27 E28 F32	Q23-Q30 WeakPolarHBondContact CA-O 3.38Å; S24-Q30 PolarHBondContact N-O 3.07Å; R27-Q30 HydrophobicContact CB-CB 4.07Å; R27-Q30 PolarHBondContact O-N 3.23Å; E28-Q30 PolarHBondContact O-N 3.38Å; E28-Q30 VanDerWaalsContact O-N 3.13Å; Q30-F32 VanDerWaalsContact C-N 3.32Å; Q30-F32 HydrophobicContact CG-CD1 3.86Å; Q30-F32 HydrophobicContact CG-CE1 3.68Å; Q30-F32 HydrophobicContact CG-CE2 4.45Å; Q30-F32 HydrophobicContact CG-CG 4.32Å; Q30-F32 HydrophobicContact CG-CZ 4Å; Q30-F32 WeakPolarHBondContact CG-O 3.45Å; Q30-F32 VanDerWaalsContact NE2-CE2 3.27Å; Q30-F32 PolarHBondContact NE2-O 3.31Å; Q30-F32 PolarHBondContact O-N 3.24Å
31	Q	87.6	Confident	88.4	Confident	125 Å²	125	82 Å²	82	58%	0.584	39%	0.393	S	S	*	.			trans	-89.4	9.6	-174.6	-59.7	-60.2	-40.7	0	0	114.5	E21 E22	E21-Q31 CarbonylContact C-O 3.56Å; E22-Q31 CarbonylContact C-O 3.59Å; E22-Q31 PolarHBondContact N-O 2.85Å; E22-Q31 CarbonylContact O-C 3.5Å
32	F	88.2	Confident	88.7	Confident	89 Å²	89	77.4 Å²	77.4	39%	0.39	38%	0.377	S	S	.	.			trans	-139.9	158.5	174.9	67.6	-88.2	0	0	0	109.9	V19 K20 E22 S24 Q30	V19-F32 HydrophobicContact CG1-CB 4.11Å; V19-F32 HydrophobicContact CG1-CD2 3.95Å; V19-F32 HydrophobicContact CG1-CG 4.37Å; K20-F32 CarbonylContact O-C 3.54Å; K20-F32 WeakPolarHBondContact O-CA 3.49Å; K20-F32 WeakPolarHBondContact O-CB 3.38Å; E22-F32 CarbonylContact O-C 3.48Å; E22-F32 WeakPolarHBondContact O-CA 3.39Å; E22-F32 PolarHBondContact O-N 2.9Å; E22-F32 VanDerWaalsContact O-N 3.14Å; S24-F32 WeakPolarHBondContact CB-O 3.24Å; Q30-F32 VanDerWaalsContact C-N 3.32Å; Q30-F32 HydrophobicContact CG-CD1 3.86Å; Q30-F32 HydrophobicContact CG-CE1 3.68Å; Q30-F32 HydrophobicContact CG-CE2 4.45Å; Q30-F32 HydrophobicContact CG-CG 4.32Å; Q30-F32 HydrophobicContact CG-CZ 4Å; Q30-F32 WeakPolarHBondContact CG-O 3.45Å; Q30-F32 VanDerWaalsContact NE2-CE2 3.27Å; Q30-F32 PolarHBondContact NE2-O 3.31Å; Q30-F32 PolarHBondContact O-N 3.24Å
33	Q	89	Confident	89	Confident	7 Å²	7	77 Å²	77	3%	0.033	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150	168.6	55.2	177.7	1.4	0	0	113	V19 K20 E22 V35	V19-Q33 CarbonylContact C-O 3.59Å; V19-Q33 WeakPolarHBondContact CA-O 3.5Å; K20-Q33 HydrophobicContact CB-CG 4.46Å; K20-Q33 PolarHBondContact N-O 3.3Å; K20-Q33 PolarHBondContact O-N 3.02Å; E22-Q33 HydrophobicContact CG-CG 3.66Å; E22-Q33 PolarHBondContact O-N 3.32Å; E22-Q33 PolarHBondContact OE1-NE2 2.89Å; Q33-V35 HydrophobicContact CG-CG1 3.88Å
34	V	90.1	Very high	89.5	Confident	52 Å²	52	70.9 Å²	70.9	32%	0.315	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	118.4	171.3	-177	0	0	0	0	107.3	T17 E18 V19	T17-V34 HydrophobicContact CG2-CG1 4.22Å; E18-V34 CarbonylContact O-C 3.49Å; E18-V34 WeakPolarHBondContact O-CA 3.28Å; V19-V34 HydrophobicContact CG2-CG2 4.35Å
35	V	93.8	Very high	90	Very high	7 Å²	7	75.4 Å²	75.4	4%	0.042	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	151.8	-179.3	-63	0	0	0	0	110.7	T17 E18 K20 Q33 H268	T17-V35 CarbonylContact C-O 3.46Å; T17-V35 WeakPolarHBondContact CA-O 3.13Å; T17-V35 WeakPolarHBondContact CB-O 3.48Å; E18-V35 HydrophobicContact CG-CG2 3.76Å; E18-V35 PolarHBondContact N-O 2.83Å; E18-V35 PolarHBondContact O-N 3.45Å; K20-V35 HydrophobicContact CD-CG2 3.64Å; K20-V35 HydrophobicContact CG-CG2 3.83Å; Q33-V35 HydrophobicContact CG-CG1 3.88Å; V35-H268 CarbonylContact C-O 3.42Å; V35-H268 VanDerWaalsContact CA-O 3.26Å; V35-H268 WeakPolarHBondContact CA-O 3.42Å; V35-H268 WeakPolarHBondContact CB-O 3.38Å
36	A	96.4	Very high	90.7	Very high	3 Å²	3	76 Å²	76	3%	0.025	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	140.7	167.7	0	0	0	0	0	109.4	F15 Y234 H268 L269	F15-A36 HydrophobicContact CB-CB 3.79Å; F15-A36 HydrophobicContact CD2-CB 4.02Å; F15-A36 HydrophobicContact CG-CB 4.27Å; A36-Y234 HydrophobicContact CB-CE2 3.97Å; A36-H268 HydrophobicContact CB-CB 3.99Å; A36-H268 PolarHBondContact N-O 3.06Å; A36-L269 HydrophobicContact CB-CD2 4.28Å
37	T	96.2	Very high	91.5	Very high	27 Å²	27	72 Å²	72	17%	0.166	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	173.2	163.2	70.2	0	0	0	0	109.4	F15 L16 E18 N39 Y234	F15-T37 WeakPolarHBondContact CB-O 3.44Å; L16-T37 PolarHBondContact O-N 3.18Å; L16-T37 PolarHBondContact O-OG1 2.95Å; E18-T37 HydrophobicContact CB-CG2 4.26Å; E18-T37 HydrophobicContact CG-CG2 3.92Å; T37-N39 PolarHBondContact O-N 2.77Å; T37-N39 PolarHBondContact OG1-N 3.38Å; T37-Y234 VanDerWaalsContact O-CD2 3.26Å; T37-Y234 WeakPolarHBondContact O-CD2 3.07Å
38	E	96.3	Very high	92.3	Very high	135 Å²	135	68.5 Å²	68.5	63%	0.631	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	-8.3	174.8	-62.3	178.4	-170	0	0	113	Y234	E38-Y234 HydrophobicContact CB-CG 4.37Å; E38-Y234 HydrophobicContact CG-CD1 3.94Å; E38-Y234 HydrophobicContact CG-CD2 4.23Å; E38-Y234 HydrophobicContact CG-CE1 4.41Å; E38-Y234 HydrophobicContact CG-CG 3.85Å
39	N	97.2	Very high	93.3	Very high	104 Å²	104	60 Å²	60	56%	0.556	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.1	-177.9	-62	-56.9	0	0	0	111.3	F15 L16 T37	F15-N39 CarbonylContact C-O 3.47Å; F15-N39 VanDerWaalsContact CA-O 3.29Å; F15-N39 WeakPolarHBondContact CA-O 3.46Å; L16-N39 HydrophobicContact CD1-CB 4.03Å; L16-N39 HydrophobicContact CG-CB 4.44Å; L16-N39 PolarHBondContact N-O 3.11Å; T37-N39 PolarHBondContact O-N 2.77Å; T37-N39 PolarHBondContact OG1-N 3.38Å
40	V	97.3	Very high	93.8	Very high	39 Å²	39	60.8 Å²	60.8	24%	0.236	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	137.7	172.7	-174.9	0	0	0	0	109.6	F15 A44 L45 V232	F15-V40 HydrophobicContact CD1-CG2 4.13Å; F15-V40 HydrophobicContact CE1-CG2 3.9Å; V40-A44 HydrophobicContact CG1-CB 4.1Å; V40-L45 HydrophobicContact CB-CD1 4.45Å; V40-L45 HydrophobicContact CB-CD2 4.36Å; V40-L45 HydrophobicContact CB-CG 4.35Å; V40-L45 HydrophobicContact CG1-CD1 4.43Å; V40-L45 HydrophobicContact CG1-CD2 3.82Å; V40-L45 HydrophobicContact CG1-CG 3.82Å; V40-V232 HydrophobicContact CG1-CG1 4.36Å; V40-V232 HydrophobicContact CG2-CG1 4.33Å
41	N	96.4	Very high	94.3	Very high	21 Å²	21	62.5 Å²	62.5	11%	0.112	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-66.2	127.5	177	-169.6	-34	0	0	0	109.5	C13 V14 L16 I43 A44 L45	C13-N41 WeakPolarHBondContact O-CB 3.29Å; C13-N41 PolarHBondContact O-ND2 2.9Å; C13-N41 VanDerWaalsContact O-ND2 3.11Å; V14-N41 VanDerWaalsContact O-CB 3.26Å; V14-N41 WeakPolarHBondContact O-CB 3.27Å; V14-N41 PolarHBondContact O-N 2.86Å; L16-N41 HydrophobicContact CD2-CB 4.46Å; N41-I43 PolarHBondContact O-N 3.18Å; N41-I43 VanDerWaalsContact O-N 3.08Å; N41-I43 PolarHBondContact OD1-N 3.43Å; N41-A44 WeakPolarHBondContact O-CB 3.44Å; N41-A44 PolarHBondContact O-N 3.09Å; N41-L45 PolarHBondContact O-N 2.95Å
42	P	96.6	Very high	94.6	Very high	65 Å²	65	57.4 Å²	57.4	42%	0.422	31%	0.309	S	S	.	.	H	α-helix	trans	-51.3	-35.9	179.1	-29.8	36.1	0	0	0	113.8	A44 L45 E46	P42-A44 VanDerWaalsContact C-N 3.25Å; P42-A44 PolarHBondContact O-N 3.38Å; P42-L45 PolarHBondContact O-N 3.18Å; P42-L45 VanDerWaalsContact O-N 3.13Å; P42-E46 WeakPolarHBondContact O-CB 3.14Å; P42-E46 VanDerWaalsContact O-CG 3.29Å; P42-E46 WeakPolarHBondContact O-CG 3.42Å; P42-E46 PolarHBondContact O-N 3.22Å
43	I	94	Very high	94.9	Very high	71 Å²	71	55.7 Å²	55.7	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-58.8	-37.7	177.1	-63.3	173.2	0	0	0	111.4	N41 S47 T260	N41-I43 PolarHBondContact O-N 3.18Å; N41-I43 VanDerWaalsContact O-N 3.08Å; N41-I43 PolarHBondContact OD1-N 3.43Å; I43-S47 VanDerWaalsContact O-CB 3.31Å; I43-S47 WeakPolarHBondContact O-CB 3.12Å; I43-S47 PolarHBondContact O-N 2.89Å; I43-S47 VanDerWaalsContact O-N 3.12Å; I43-S47 PolarHBondContact O-OG 2.9Å; I43-T260 HydrophobicContact CG2-CG2 3.89Å
44	A	95.6	Very high	95.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67.5	-43.3	178.1	0	0	0	0	0	111.2	V14 V40 N41 P42 S47 N48 I49 V262	V14-A44 HydrophobicContact CG2-CB 4.07Å; V40-A44 HydrophobicContact CG1-CB 4.1Å; N41-A44 WeakPolarHBondContact O-CB 3.44Å; N41-A44 PolarHBondContact O-N 3.09Å; P42-A44 VanDerWaalsContact C-N 3.25Å; P42-A44 PolarHBondContact O-N 3.38Å; A44-S47 PolarHBondContact O-N 3.38Å; A44-N48 PolarHBondContact O-N 3.36Å; A44-I49 HydrophobicContact CB-CB 4.26Å; A44-I49 HydrophobicContact CB-CG1 4.42Å; A44-I49 WeakPolarHBondContact O-CB 3.34Å; A44-I49 PolarHBondContact O-N 3.29Å; A44-V262 HydrophobicContact CB-CG1 4.22Å; A44-V262 HydrophobicContact CB-CG2 4.27Å
45	L	96.1	Very high	95.6	Very high	107 Å²	107	53.2 Å²	53.2	56%	0.56	29%	0.289	S	S	*	.	H	α-helix	trans	-65.3	-47	178.2	-62.1	175.6	0	0	0	111.6	V40 N41 P42 S47 N48	V40-L45 HydrophobicContact CB-CD1 4.45Å; V40-L45 HydrophobicContact CB-CD2 4.36Å; V40-L45 HydrophobicContact CB-CG 4.35Å; V40-L45 HydrophobicContact CG1-CD1 4.43Å; V40-L45 HydrophobicContact CG1-CD2 3.82Å; V40-L45 HydrophobicContact CG1-CG 3.82Å; N41-L45 PolarHBondContact O-N 2.95Å; P42-L45 PolarHBondContact O-N 3.18Å; P42-L45 VanDerWaalsContact O-N 3.13Å; L45-S47 PolarHBondContact O-N 3.16Å; L45-N48 PolarHBondContact O-N 2.85Å
46	E	96.7	Very high	95.7	Very high	156 Å²	156	53.5 Å²	53.5	73%	0.729	29%	0.29	S	S	*	.	H	α-helix	trans	-58.9	-30.6	176.7	-71.9	168	-168	0	0	112.1	P42 N48	P42-E46 WeakPolarHBondContact O-CB 3.14Å; P42-E46 VanDerWaalsContact O-CG 3.29Å; P42-E46 WeakPolarHBondContact O-CG 3.42Å; P42-E46 PolarHBondContact O-N 3.22Å; E46-N48 VanDerWaalsContact C-N 3.32Å
47	S	95.1	Very high	95.6	Very high	11 Å²	11	54.6 Å²	54.6	8%	0.077	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	7.4	178.4	-50.4	0	0	0	0	113.9	I43 A44 L45 C256 D258 T260	I43-S47 VanDerWaalsContact O-CB 3.31Å; I43-S47 WeakPolarHBondContact O-CB 3.12Å; I43-S47 PolarHBondContact O-N 2.89Å; I43-S47 VanDerWaalsContact O-N 3.12Å; I43-S47 PolarHBondContact O-OG 2.9Å; A44-S47 PolarHBondContact O-N 3.38Å; L45-S47 PolarHBondContact O-N 3.16Å; S47-C256 WeakPolarHBondContact O-CB 3.45Å; S47-D258 PolarHBondContact OG-OD2 3.15Å; S47-T260 VanDerWaalsContact OG-CB 3.31Å; S47-T260 WeakPolarHBondContact OG-CB 3.49Å; S47-T260 WeakPolarHBondContact OG-CG2 3.3Å; S47-T260 PolarHBondContact OG-OG1 3.36Å
48	N	95.3	Very high	95.6	Very high	85 Å²	85	54 Å²	54	46%	0.455	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	57.3	-178.5	-171.3	23.6	0	0	0	113.4	A44 L45 E46 D50 C51	A44-N48 PolarHBondContact O-N 3.36Å; L45-N48 PolarHBondContact O-N 2.85Å; E46-N48 VanDerWaalsContact C-N 3.32Å; N48-D50 PolarHBondContact O-N 3.15Å; N48-D50 VanDerWaalsContact O-N 3.11Å; N48-C51 PolarHBondContact ND2-SG 2.99Å; N48-C51 PolarHBondContact O-N 3.31Å
49	I	95.6	Very high	95.5	Very high	5 Å²	5	49 Å²	49	3%	0.026	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-53.1	-30.6	-176.1	-166.7	65	0	0	0	114.5	V14 A44 C51 A52 V232 W254 V262	V14-I49 HydrophobicContact CG2-CG1 4.34Å; A44-I49 HydrophobicContact CB-CB 4.26Å; A44-I49 HydrophobicContact CB-CG1 4.42Å; A44-I49 WeakPolarHBondContact O-CB 3.34Å; A44-I49 PolarHBondContact O-N 3.29Å; I49-C51 PolarHBondContact O-N 3.03Å; I49-A52 HydrophobicContact CD1-CB 4.04Å; I49-A52 WeakPolarHBondContact O-CB 3.46Å; I49-A52 PolarHBondContact O-N 3.2Å; I49-V232 HydrophobicContact CG1-CG2 3.8Å; I49-V232 HydrophobicContact CG2-CG2 4.23Å; I49-W254 HydrophobicContact CD1-CB 3.31Å; I49-W254 HydrophobicContact CD1-CD2 4.19Å; I49-W254 HydrophobicContact CD1-CG 3.55Å; I49-W254 HydrophobicContact CG1-CB 4.48Å; I49-W254 HydrophobicContact CG1-CG 4.28Å; I49-V262 HydrophobicContact CD1-CG2 3.25Å; I49-V262 HydrophobicContact CG1-CG2 4.36Å
50	D	93.6	Very high	95.4	Very high	129 Å²	129	44.6 Å²	44.6	69%	0.69	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-65.7	-20	-178.9	-62.5	-35.4	0	0	0	113	N48	N48-D50 PolarHBondContact O-N 3.15Å; N48-D50 VanDerWaalsContact O-N 3.11Å
51	C	93.3	Very high	95.3	Very high	74 Å²	74	44.7 Å²	44.7	50%	0.5	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-101	6	175.3	-65.3	0	0	0	0	113.1	N48 I49	N48-C51 PolarHBondContact ND2-SG 2.99Å; N48-C51 PolarHBondContact O-N 3.31Å; I49-C51 PolarHBondContact O-N 3.03Å
52	A	94.6	Very high	95.3	Very high	19 Å²	19	44.6 Å²	44.6	16%	0.157	25%	0.248	C	C	.	.	S	Bend	trans	-81.7	150.6	-176.2	0	0	0	0	0	112.3	I49 A54 W254 H255 C256	I49-A52 HydrophobicContact CD1-CB 4.04Å; I49-A52 WeakPolarHBondContact O-CB 3.46Å; I49-A52 PolarHBondContact O-N 3.2Å; A52-A54 PolarHBondContact O-N 3.01Å; A52-W254 HydrophobicContact CB-CB 3.95Å; A52-H255 WeakPolarHBondContact CA-O 3.46Å; A52-H255 WeakPolarHBondContact CB-O 3.48Å; A52-C256 HydrophobicContact CB-CB 4.48Å
53	L	94.8	Very high	95.3	Very high	53 Å²	53	41.5 Å²	41.5	28%	0.277	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120	172.2	175.3	67.3	0	0	0	110	F4 T55 W254 H255	F4-L53 HydrophobicContact CD1-CD2 3.75Å; F4-L53 HydrophobicContact CD2-CD2 4.49Å; F4-L53 HydrophobicContact CE1-CD2 3.31Å; F4-L53 HydrophobicContact CE2-CD2 4.11Å; F4-L53 HydrophobicContact CG-CD2 4.33Å; F4-L53 HydrophobicContact CZ-CD2 3.5Å; L53-T55 HydrophobicContact CD2-CG2 4.19Å; L53-T55 HydrophobicContact CG-CG2 4.06Å; L53-W254 CarbonylContact O-C 3.59Å; L53-W254 WeakPolarHBondContact O-CA 3.45Å; L53-H255 HydrophobicContact CB-CB 4.37Å; L53-H255 PolarHBondContact N-O 2.82Å; L53-H255 VanDerWaalsContact N-O 3.1Å; L53-H255 PolarHBondContact O-N 3.02Å
54	A	96.4	Very high	95.4	Very high	4 Å²	4	39 Å²	39	3%	0.033	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129.6	174.8	0	0	0	0	0	111.5	A52 I226 P229 I252	A52-A54 PolarHBondContact O-N 3.01Å; A54-I226 HydrophobicContact CB-CB 4.34Å; A54-I226 PolarHBondContact O-N 2.85Å; A54-P229 HydrophobicContact CB-CB 3.67Å; A54-P229 HydrophobicContact CB-CG 3.71Å; A54-I252 HydrophobicContact CB-CG2 3.98Å
55	T	96	Very high	95.5	Very high	3 Å²	3	39 Å²	39	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	157.5	179.6	58.1	0	0	0	0	111.2	L53 K57 V224 I252 V253 H255	L53-T55 HydrophobicContact CD2-CG2 4.19Å; L53-T55 HydrophobicContact CG-CG2 4.06Å; T55-K57 PolarHBondContact O-N 3.44Å; T55-V224 CarbonylContact C-O 3.58Å; T55-V224 VanDerWaalsContact CA-O 3.24Å; T55-V224 WeakPolarHBondContact CA-O 3.29Å; T55-V224 VanDerWaalsContact CB-O 3.26Å; T55-V224 WeakPolarHBondContact CB-O 3.32Å; T55-I252 CarbonylContact O-C 3.55Å; T55-I252 WeakPolarHBondContact O-CA 3.33Å; T55-V253 PolarHBondContact N-O 3.05Å; T55-V253 PolarHBondContact O-N 3.49Å; T55-V253 PolarHBondContact OG1-O 2.88Å; T55-H255 PolarHBondContact OG1-CD2 2.85Å; T55-H255 VanDerWaalsContact OG1-CD2 3.28Å; T55-H255 PolarHBondContact OG1-NE2 3.44Å
56	E	95.6	Very high	95.5	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.056	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	127.9	176.9	-167.5	174.8	154.4	0	0	110.5	L58 V224 V249	E56-L58 HydrophobicContact CB-CD2 4.29Å; E56-L58 HydrophobicContact CG-CD2 3.84Å; E56-L58 PolarHBondContact O-N 3.35Å; E56-L58 WeakPolarHBondContact OE1-CD2 3.14Å; E56-V224 HydrophobicContact CB-CB 4.19Å; E56-V224 HydrophobicContact CB-CG1 3.87Å; E56-V224 PolarHBondContact N-O 3.33Å; E56-V249 VanDerWaalsContact CD-CG1 3.48Å; E56-V249 HydrophobicContact CG-CB 3.81Å; E56-V249 HydrophobicContact CG-CG1 3.71Å
57	K	95.8	Very high	95.5	Very high	27 Å²	27	31.6 Å²	31.6	12%	0.117	18%	0.181	C	C	.	.			trans	-79.8	102.2	169.2	-173.2	-152.3	154.5	-68.4	0	108.8	T55 E250 G251 V253 K263 H265	T55-K57 PolarHBondContact O-N 3.44Å; K57-E250 HydrophobicContact CD-CG 4.42Å; K57-E250 WeakPolarHBondContact O-CB 3.37Å; K57-G251 WeakPolarHBondContact CB-O 3.36Å; K57-G251 PolarHBondContact N-O 3.07Å; K57-V253 HydrophobicContact CB-CG2 3.74Å; K57-V253 HydrophobicContact CG-CG2 3.79Å; K57-K263 HydrophobicContact CD-CD 4.4Å; K57-H265 HydrophobicContact CD-CB 4.37Å
58	L	95.3	Very high	95.6	Very high	14 Å²	14	33 Å²	33	7%	0.073	19%	0.185	C	C	.	.			trans	-72.9	152.9	176.2	-56	-179.3	0	0	0	112.6	E56 E195 I197 Y206 V219 L280	E56-L58 HydrophobicContact CB-CD2 4.29Å; E56-L58 HydrophobicContact CG-CD2 3.84Å; E56-L58 PolarHBondContact O-N 3.35Å; E56-L58 WeakPolarHBondContact OE1-CD2 3.14Å; L58-E195 HydrophobicContact CB-CB 4.33Å; L58-E195 HydrophobicContact CB-CG 4.13Å; L58-I197 HydrophobicContact CB-CG2 4.48Å; L58-Y206 VanDerWaalsContact CA-OH 3.23Å; L58-Y206 WeakPolarHBondContact CA-OH 3.33Å; L58-Y206 HydrophobicContact CD2-CE1 4.37Å; L58-Y206 WeakPolarHBondContact CD2-OH 3.43Å; L58-V219 HydrophobicContact CD1-CB 3.54Å; L58-V219 HydrophobicContact CD1-CG1 3.45Å; L58-V219 VanDerWaalsContact CD1-CG1 3.45Å; L58-V219 HydrophobicContact CD1-CG2 3.79Å; L58-L280 HydrophobicContact CD2-CD2 3.84Å
59	D	93.7	Very high	95.6	Very high	29 Å²	29	35.9 Å²	35.9	16%	0.155	19%	0.194	C	C	.	.			trans	-100.6	80.3	172.6	-166.8	19.5	0	0	0	110.4	N202 P205 Y206 E250 W273	D59-N202 PolarHBondContact OD1-ND2 2.91Å; D59-P205 HydrophobicContact CB-CG 4.01Å; D59-Y206 HydrophobicContact CB-CE2 4.24Å; D59-Y206 PolarHBondContact N-OH 3Å; D59-E250 HydrophobicContact CB-CG 4.23Å; D59-W273 HydrophobicContact CB-CH2 3.75Å; D59-W273 HydrophobicContact CB-CZ3 3.71Å
60	G	95.4	Very high	95.5	Very high	13 Å²	13	39 Å²	39	13%	0.134	23%	0.226	C	C	.	.	S	Bend	trans	-128.6	-167.4	179	0	0	0	0	0	112.7	E195 L196 N202	G60-E195 WeakPolarHBondContact CA-OE2 3.44Å; G60-L196 CarbonylContact C-O 3.43Å; G60-L196 WeakPolarHBondContact CA-O 3.3Å; G60-N202 VanDerWaalsContact C-ND2 3.33Å; G60-N202 PolarHBondContact O-ND2 3.28Å
61	T	95.9	Very high	95.7	Very high	40 Å²	40	38.3 Å²	38.3	25%	0.245	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.2	165.6	179.9	0	0	0	0	109.9	C63 H155 E195 L196 V201	T61-C63 PolarHBondContact O-N 3.05Å; T61-C63 PolarHBondContact O-SG 3.4Å; T61-C63 VanDerWaalsContact O-SG 3.38Å; T61-H155 VanDerWaalsContact CG2-CE1 3.47Å; T61-H155 WeakPolarHBondContact CG2-CE1 3.31Å; T61-H155 WeakPolarHBondContact CG2-NE2 3.38Å; T61-E195 PolarHBondContact N-OE2 3.29Å; T61-L196 HydrophobicContact CG2-CB 3.73Å; T61-L196 HydrophobicContact CG2-CD2 3.75Å; T61-L196 HydrophobicContact CG2-CG 4.18Å; T61-L196 PolarHBondContact N-O 2.64Å; T61-L196 PolarHBondContact O-N 2.89Å; T61-V201 HydrophobicContact CG2-CG1 4.09Å
62	C	95.9	Very high	95.9	Very high	19 Å²	19	36 Å²	36	13%	0.128	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	135.2	-174.4	-169.7	0	0	0	0	111	R77 L194 E195	C62-R77 HydrophobicContact CB-CB 4.34Å; C62-R77 VanDerWaalsContact O-CB 3.24Å; C62-R77 WeakPolarHBondContact O-CB 3.4Å; C62-R77 PolarHBondContact O-N 2.93Å; C62-L194 CarbonylContact C-O 3.5Å; C62-L194 WeakPolarHBondContact CA-O 3.16Å; C62-E195 PolarHBondContact N-OE2 2.86Å
63	C	96.6	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	165.4	179.3	-58.3	0	0	0	0	110	T61 L74 W75 H155 T193 L194 L218	T61-C63 PolarHBondContact O-N 3.05Å; T61-C63 PolarHBondContact O-SG 3.4Å; T61-C63 VanDerWaalsContact O-SG 3.38Å; C63-L74 HydrophobicContact CB-CD1 3.77Å; C63-W75 CarbonylContact C-O 3.58Å; C63-W75 VanDerWaalsContact CA-O 3.3Å; C63-W75 WeakPolarHBondContact CA-O 3.28Å; C63-H155 PolarHBondContact SG-CD2 3.12Å; C63-T193 CarbonylContact O-C 3.53Å; C63-T193 WeakPolarHBondContact O-CA 3.44Å; C63-T193 WeakPolarHBondContact O-CB 3.49Å; C63-L194 HydrophobicContact CB-CB 4.39Å; C63-L194 PolarHBondContact N-O 3.11Å; C63-L194 PolarHBondContact O-N 2.95Å; C63-L218 HydrophobicContact CB-CD2 4.36Å
64	Y	96.5	Very high	96.2	Very high	20 Å²	20	34.3 Å²	34.3	8%	0.078	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	147.1	177.5	172	-120.9	0	0	0	109.1	W75 W142 E191 Q192 T193	Y64-W75 HydrophobicContact CD1-CB 4.35Å; Y64-W75 HydrophobicContact CD1-CG 4.46Å; Y64-W75 PolarHBondContact N-O 2.8Å; Y64-W75 WeakPolarHBondContact O-CA 3.46Å; Y64-W75 WeakPolarHBondContact O-CB 3.48Å; Y64-W75 PolarHBondContact O-N 2.96Å; Y64-W142 HydrophobicContact CD1-CD2 4.22Å; Y64-W142 HydrophobicContact CD1-CG 4.16Å; Y64-W142 HydrophobicContact CG-CD2 4.38Å; Y64-W142 HydrophobicContact CG-CZ2 4.46Å; Y64-E191 PolarHBondContact OH-OE1 3.28Å; Y64-E191 PolarHBondContact OH-OE2 3.47Å; Y64-Q192 WeakPolarHBondContact CA-O 3.4Å; Y64-Q192 WeakPolarHBondContact CD2-O 2.83Å; Y64-T193 HydrophobicContact CD2-CG2 3.96Å
65	V	96.8	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.9	175.6	176.7	0	0	0	0	109.2	Y73 L74 L186 L189 L190 E191 Q192 L194	V65-Y73 VanDerWaalsContact CA-O 3.31Å; V65-Y73 WeakPolarHBondContact CA-O 3.5Å; V65-L74 HydrophobicContact CG2-CD1 3.86Å; V65-L186 HydrophobicContact CG1-CD2 4.19Å; V65-L186 WeakPolarHBondContact CG1-O 3.29Å; V65-L186 HydrophobicContact CG2-CD2 4.15Å; V65-L189 HydrophobicContact CB-CB 4.09Å; V65-L189 WeakPolarHBondContact CB-O 3.09Å; V65-L189 HydrophobicContact CG1-CB 4.15Å; V65-L189 HydrophobicContact CG2-CB 3.94Å; V65-L190 HydrophobicContact CG1-CD2 4.26Å; V65-E191 WeakPolarHBondContact O-CA 3.32Å; V65-E191 PolarHBondContact O-N 2.95Å; V65-Q192 PolarHBondContact N-O 2.9Å; V65-Q192 VanDerWaalsContact N-O 3.1Å; V65-L194 HydrophobicContact CG2-CD1 3.73Å
66	S	96.1	Very high	96.3	Very high	20 Å²	20	34.6 Å²	34.6	14%	0.14	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	173.4	178.3	-164.4	0	0	0	0	110.9	Y73 W75 E191	S66-Y73 PolarHBondContact N-O 3.16Å; S66-Y73 VanDerWaalsContact N-O 3.08Å; S66-Y73 PolarHBondContact O-N 2.78Å; S66-W75 PolarHBondContact O-NE1 2.85Å; S66-W75 VanDerWaalsContact O-NE1 3.16Å; S66-E191 WeakPolarHBondContact CB-OE1 3.26Å; S66-E191 PolarHBondContact OG-OE1 3.1Å
67	I	96.9	Very high	96.3	Very high	87 Å²	87	36.2 Å²	36.2	45%	0.446	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.1	-174.9	-58.4	-63.1	0	0	0	110.8	Q71 L190	I67-Q71 CarbonylContact C-O 3.53Å; I67-Q71 WeakPolarHBondContact CA-O 3.38Å; I67-L190 HydrophobicContact CD1-CD1 4.25Å; I67-L190 HydrophobicContact CD1-CD2 3.74Å; I67-L190 HydrophobicContact CG1-CD2 4.15Å
68	Y	96.8	Very high	96.3	Very high	39 Å²	39	36.7 Å²	36.7	15%	0.153	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.8	169.6	-177.4	-124.8	0	0	0	108.9	G70 Q71 Y73 W75 P144 E146	Y68-G70 PolarHBondContact O-N 3.04Å; Y68-Q71 PolarHBondContact N-O 2.97Å; Y68-Q71 PolarHBondContact O-N 3.06Å; Y68-Q71 VanDerWaalsContact O-O 3.09Å; Y68-Y73 HydrophobicContact CD1-CD1 4.01Å; Y68-Y73 HydrophobicContact CD1-CD2 4.32Å; Y68-Y73 HydrophobicContact CD1-CE1 4.19Å; Y68-Y73 HydrophobicContact CD1-CE2 4.48Å; Y68-Y73 HydrophobicContact CD1-CG 4.09Å; Y68-W75 HydrophobicContact CD2-CH2 4.18Å; Y68-W75 HydrophobicContact CD2-CZ2 4.02Å; Y68-W75 HydrophobicContact CG-CZ2 4.15Å; Y68-P144 HydrophobicContact CD1-CB 3.63Å; Y68-P144 HydrophobicContact CD1-CG 3.96Å; Y68-P144 HydrophobicContact CD2-CB 4.27Å; Y68-P144 HydrophobicContact CD2-CG 4.07Å; Y68-P144 HydrophobicContact CE1-CB 3.79Å; Y68-P144 HydrophobicContact CE1-CG 3.66Å; Y68-P144 HydrophobicContact CE2-CB 4.45Å; Y68-P144 HydrophobicContact CE2-CG 3.82Å; Y68-P144 HydrophobicContact CG-CB 3.86Å; Y68-P144 HydrophobicContact CG-CG 4.14Å; Y68-E146 HydrophobicContact CE1-CG 4.26Å; Y68-E146 WeakPolarHBondContact CE1-OE1 3.31Å; Y68-E146 PolarHBondContact OH-OE1 2.73Å
69	K	94.9	Very high	96.3	Very high	147 Å²	147	38.3 Å²	38.3	64%	0.639	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	34.3	-178.6	-62.9	171.4	174	165.5	0	113.4	E146	K69-E146 IonicContact NZ-OE1 3.95Å; K69-E146 PolarHBondContact NZ-OE1 3.37Å
70	G	95.5	Very high	96.4	Very high	69 Å²	69	38.8 Å²	38.8	71%	0.711	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.8	5.8	178.6	0	0	0	0	0	115.7	Y68	Y68-G70 PolarHBondContact O-N 3.04Å
71	Q	96	Very high	96.4	Very high	115 Å²	115	42.9 Å²	42.9	54%	0.537	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154.3	-178.6	-64.8	-179.7	-19	0	0	111.6	I67 Y68 Y73	I67-Q71 CarbonylContact C-O 3.53Å; I67-Q71 WeakPolarHBondContact CA-O 3.38Å; Y68-Q71 PolarHBondContact N-O 2.97Å; Y68-Q71 PolarHBondContact O-N 3.06Å; Y68-Q71 VanDerWaalsContact O-O 3.09Å; Q71-Y73 HydrophobicContact CB-CD2 4.36Å; Q71-Y73 PolarHBondContact O-N 3.44Å
72	S	97.4	Very high	96.3	Very high	27 Å²	27	41.4 Å²	41.4	19%	0.189	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	123.7	172.9	-55.1	0	0	0	0	110
73	Y	97.7	Very high	96.4	Very high	36 Å²	36	42.4 Å²	42.4	14%	0.141	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150	-175.3	-111.4	-102.3	0	0	0	111.4	V65 S66 Y68 Q71 W75 P144 V145 Y161	V65-Y73 VanDerWaalsContact CA-O 3.31Å; V65-Y73 WeakPolarHBondContact CA-O 3.5Å; S66-Y73 PolarHBondContact N-O 3.16Å; S66-Y73 VanDerWaalsContact N-O 3.08Å; S66-Y73 PolarHBondContact O-N 2.78Å; Y68-Y73 HydrophobicContact CD1-CD1 4.01Å; Y68-Y73 HydrophobicContact CD1-CD2 4.32Å; Y68-Y73 HydrophobicContact CD1-CE1 4.19Å; Y68-Y73 HydrophobicContact CD1-CE2 4.48Å; Y68-Y73 HydrophobicContact CD1-CG 4.09Å; Q71-Y73 HydrophobicContact CB-CD2 4.36Å; Q71-Y73 PolarHBondContact O-N 3.44Å; Y73-W75 VanDerWaalsContact O-CD1 3.23Å; Y73-P144 HydrophobicContact CD1-CB 4.32Å; Y73-V145 WeakPolarHBondContact CE1-O 3.45Å; Y73-Y161 HydrophobicContact CD1-CD1 4.38Å; Y73-Y161 AromaticContact CD1-CE1 3.65Å; Y73-Y161 HydrophobicContact CD1-CE1 3.65Å; Y73-Y161 HydrophobicContact CD1-CE2 4.01Å; Y73-Y161 AromaticContact CD1-CZ 3.39Å; Y73-Y161 VanDerWaalsContact CD1-OH 3.28Å; Y73-Y161 WeakPolarHBondContact CD1-OH 2.94Å; Y73-Y161 HydrophobicContact CD2-CD1 4.23Å; Y73-Y161 HydrophobicContact CD2-CE1 4.14Å; Y73-Y161 HydrophobicContact CE1-CD1 4.23Å; Y73-Y161 AromaticContact CE1-CD2 3.94Å; Y73-Y161 HydrophobicContact CE1-CD2 3.94Å; Y73-Y161 AromaticContact CE1-CE1 3.79Å; Y73-Y161 HydrophobicContact CE1-CE1 3.79Å; Y73-Y161 AromaticContact CE1-CE2 3.43Å; Y73-Y161 HydrophobicContact CE1-CE2 3.43Å; Y73-Y161 VanDerWaalsContact CE1-CE2 3.43Å; Y73-Y161 HydrophobicContact CE1-CG 4.3Å; Y73-Y161 AromaticContact CE1-CZ 3.34Å; Y73-Y161 HydrophobicContact CE2-CD1 4.07Å; Y73-Y161 HydrophobicContact CE2-CE1 4.27Å; Y73-Y161 HydrophobicContact CE2-CG 4.27Å; Y73-Y161 HydrophobicContact CG-CD1 4.38Å; Y73-Y161 AromaticContact CG-CE1 3.82Å; Y73-Y161 HydrophobicContact CG-CE1 3.82Å; Y73-Y161 AromaticContact CZ-CD2 3.88Å; Y73-Y161 AromaticContact CZ-CE2 3.88Å; Y73-Y161 AromaticContact CZ-CG 3.95Å; Y73-Y161 AromaticContact CZ-CZ 3.98Å
74	L	98.3	Very high	96.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	137	166.1	-173	69.5	0	0	0	109	C63 V65 V145 H155 V158 V159 Y161 L218	C63-L74 HydrophobicContact CB-CD1 3.77Å; V65-L74 HydrophobicContact CG2-CD1 3.86Å; L74-V145 HydrophobicContact CB-CB 4.37Å; L74-V145 HydrophobicContact CB-CG2 4.39Å; L74-V145 HydrophobicContact CD2-CG2 4.29Å; L74-V145 HydrophobicContact CG-CG2 4.16Å; L74-V145 WeakPolarHBondContact O-CB 3.34Å; L74-V145 WeakPolarHBondContact O-CG2 3.17Å; L74-V145 PolarHBondContact O-N 2.83Å; L74-H155 HydrophobicContact CD2-CB 3.94Å; L74-V158 HydrophobicContact CD2-CG2 4.22Å; L74-V159 HydrophobicContact CB-CG1 3.91Å; L74-V159 HydrophobicContact CD2-CG1 3.83Å; L74-V159 HydrophobicContact CG-CG1 4.42Å; L74-Y161 PolarHBondContact N-OH 2.82Å; L74-L218 HydrophobicContact CD1-CD1 3.93Å; L74-L218 HydrophobicContact CD1-CD2 4.29Å; L74-L218 HydrophobicContact CD2-CD1 4.39Å; L74-L218 HydrophobicContact CD2-CD2 4.38Å
75	W	98.1	Very high	96.3	Very high	13 Å²	13	57.6 Å²	57.6	5%	0.049	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.7	176.9	-64.7	68.2	0	0	0	109	C63 Y64 S66 Y68 Y73 S117 V119 W142 V143 P144	C63-W75 CarbonylContact C-O 3.58Å; C63-W75 VanDerWaalsContact CA-O 3.3Å; C63-W75 WeakPolarHBondContact CA-O 3.28Å; Y64-W75 HydrophobicContact CD1-CB 4.35Å; Y64-W75 HydrophobicContact CD1-CG 4.46Å; Y64-W75 PolarHBondContact N-O 2.8Å; Y64-W75 WeakPolarHBondContact O-CA 3.46Å; Y64-W75 WeakPolarHBondContact O-CB 3.48Å; Y64-W75 PolarHBondContact O-N 2.96Å; S66-W75 PolarHBondContact O-NE1 2.85Å; S66-W75 VanDerWaalsContact O-NE1 3.16Å; Y68-W75 HydrophobicContact CD2-CH2 4.18Å; Y68-W75 HydrophobicContact CD2-CZ2 4.02Å; Y68-W75 HydrophobicContact CG-CZ2 4.15Å; Y73-W75 VanDerWaalsContact O-CD1 3.23Å; W75-S117 WeakPolarHBondContact CZ3-O 3.21Å; W75-V119 HydrophobicContact CE3-CG2 4.08Å; W75-V119 HydrophobicContact CH2-CG1 4.2Å; W75-V119 HydrophobicContact CH2-CG2 4.2Å; W75-V119 HydrophobicContact CZ3-CB 4.44Å; W75-V119 HydrophobicContact CZ3-CG1 4.1Å; W75-V119 HydrophobicContact CZ3-CG2 3.58Å; W75-W142 HydrophobicContact CB-CB 4.13Å; W75-W142 HydrophobicContact CD2-CB 4.41Å; W75-W142 HydrophobicContact CE3-CB 3.72Å; W75-V143 CarbonylContact C-O 3.44Å; W75-V143 VanDerWaalsContact CA-O 3.25Å; W75-V143 WeakPolarHBondContact CA-O 3.36Å; W75-V143 VanDerWaalsContact CE3-C 3.41Å; W75-P144 HydrophobicContact CD2-CB 4.16Å; W75-P144 HydrophobicContact CE3-CB 4.32Å; W75-P144 VanDerWaalsContact CE3-N 3.34Å; W75-P144 HydrophobicContact CH2-CB 4.49Å; W75-P144 HydrophobicContact CH2-CG 4.41Å; W75-P144 HydrophobicContact CZ2-CB 4.35Å; W75-P144 HydrophobicContact CZ3-CB 4.49Å; W75-P144 VanDerWaalsContact CZ3-CD 3.46Å; W75-P144 HydrophobicContact CZ3-CG 4.34Å
76	A	97.5	Very high	96.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	146.9	175.2	0	0	0	0	0	110.3	L78 W142 V143 V145 Y152	A76-L78 PolarHBondContact O-N 3.16Å; A76-W142 WeakPolarHBondContact O-CA 3.47Å; A76-V143 HydrophobicContact CB-CG1 4.45Å; A76-V143 PolarHBondContact N-O 3.47Å; A76-V143 PolarHBondContact O-N 2.78Å; A76-V145 HydrophobicContact CB-CG2 3.83Å; A76-Y152 HydrophobicContact CB-CD1 3.34Å; A76-Y152 HydrophobicContact CB-CD2 4.5Å; A76-Y152 HydrophobicContact CB-CE1 3.25Å; A76-Y152 HydrophobicContact CB-CE2 4.45Å; A76-Y152 HydrophobicContact CB-CG 4Å
77	R	95.9	Very high	96.1	Very high	45 Å²	45	59 Å²	59	17%	0.17	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	127.1	174	-172	70.5	-175.2	-145.6	-20.1	111	C62 D79 P140 G141 W142	C62-R77 HydrophobicContact CB-CB 4.34Å; C62-R77 VanDerWaalsContact O-CB 3.24Å; C62-R77 WeakPolarHBondContact O-CB 3.4Å; C62-R77 PolarHBondContact O-N 2.93Å; R77-D79 IonicContact CZ-OD1 2.7Å; R77-D79 VanDerWaalsContact CZ-OD1 3.22Å; R77-D79 IonicContact NE-OD1 3.23Å; R77-D79 PolarHBondContact NE-OD1 2.9Å; R77-D79 IonicContact NH2-OD1 3.76Å; R77-D79 PolarHBondContact NH2-OD1 2.98Å; R77-P140 VanDerWaalsContact NH2-CG 3.33Å; R77-G141 WeakPolarHBondContact CD-O 3.47Å; R77-W142 HydrophobicContact CB-CE3 4.16Å; R77-W142 HydrophobicContact CB-CZ3 3.76Å; R77-W142 HydrophobicContact CG-CZ3 4.27Å
78	L	95.4	Very high	95.9	Very high	38 Å²	38	62.5 Å²	62.5	20%	0.199	31%	0.305	C	S	.	.			trans	-137	95.3	172.2	-177	61.8	0	0	0	109.8	A76 R80 P115 W118 G141 V143	A76-L78 PolarHBondContact O-N 3.16Å; L78-R80 PolarHBondContact O-N 2.86Å; L78-P115 HydrophobicContact CD2-CG 4.49Å; L78-W118 PolarHBondContact O-NE1 3.08Å; L78-G141 CarbonylContact C-O 3.15Å; L78-G141 PolarHBondContact N-O 2.88Å; L78-G141 CarbonylContact O-C 3.49Å; L78-V143 HydrophobicContact CB-CB 4.48Å; L78-V143 HydrophobicContact CB-CG1 3.93Å; L78-V143 HydrophobicContact CD2-CB 4.28Å; L78-V143 HydrophobicContact CD2-CG1 4.08Å
79	D	95.1	Very high	95.8	Very high	47 Å²	47	66.7 Å²	66.7	25%	0.251	32%	0.321	S	S	.	.			trans	-72.6	125.3	173.3	-68.7	-7.6	0	0	0	110.1	R77 K81 I139 P140	R77-D79 IonicContact CZ-OD1 2.7Å; R77-D79 VanDerWaalsContact CZ-OD1 3.22Å; R77-D79 IonicContact NE-OD1 3.23Å; R77-D79 PolarHBondContact NE-OD1 2.9Å; R77-D79 IonicContact NH2-OD1 3.76Å; R77-D79 PolarHBondContact NH2-OD1 2.98Å; D79-K81 PolarHBondContact O-N 3.03Å; D79-I139 CarbonylContact C-O 3.58Å; D79-I139 WeakPolarHBondContact CA-O 3.24Å; D79-P140 WeakPolarHBondContact OD1-CA 3.43Å
80	R	94.9	Very high	95.7	Very high	39 Å²	39	60 Å²	60	15%	0.147	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-74.7	110.3	170.3	-176.9	177.5	-176.3	-143.3	-7.6	108.6	L78 V107 F111 K112 V114 W118 I139	L78-R80 PolarHBondContact O-N 2.86Å; R80-V107 PolarHBondContact NH2-O 3.25Å; R80-F111 HydrophobicContact CG-CB 4.1Å; R80-F111 HydrophobicContact CG-CD1 4.17Å; R80-K112 WeakPolarHBondContact CG-O 3.45Å; R80-K112 PolarHBondContact NE-O 3.22Å; R80-V114 HydrophobicContact CB-CG1 3.81Å; R80-V114 HydrophobicContact CG-CG1 3.78Å; R80-W118 HydrophobicContact CB-CZ2 4.1Å; R80-I139 HydrophobicContact CB-CB 4.15Å; R80-I139 PolarHBondContact N-O 3.09Å; R80-I139 PolarHBondContact O-N 3.14Å
81	K	95	Very high	95.5	Very high	99 Å²	99	61 Å²	61	43%	0.43	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-96.7	155.6	-174.2	-70.1	178.2	-175.3	177.4	0	111.9	D79 K112	D79-K81 PolarHBondContact O-N 3.03Å; K81-K112 PolarHBondContact O-N 3.1Å
82	P	95.8	Very high	95.2	Very high	10 Å²	10	63 Å²	63	7%	0.065	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-66.4	157.6	174.9	26.6	-31.1	0	0	0	111.2	A86 D87 W105 D110 G137	P82-A86 HydrophobicContact CB-CB 4.11Å; P82-D87 HydrophobicContact CB-CB 4.4Å; P82-D87 HydrophobicContact CG-CB 4.07Å; P82-W105 HydrophobicContact CB-CH2 4.15Å; P82-W105 HydrophobicContact CB-CZ3 3.88Å; P82-W105 HydrophobicContact CG-CH2 4.41Å; P82-D110 CarbonylContact C-O 3.54Å; P82-D110 WeakPolarHBondContact CA-O 3.43Å; P82-G137 WeakPolarHBondContact CD-O 3.43Å
83	T	96.4	Very high	94.9	Very high	39 Å²	39	63.3 Å²	63.3	24%	0.239	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-66.6	161	167.8	69.1	0	0	0	0	109.8	Q85 A86 D87 D110	T83-Q85 PolarHBondContact O-N 2.89Å; T83-A86 PolarHBondContact O-N 2.51Å; T83-A86 WeakPolarHBondContact OG1-CB 3.29Å; T83-A86 PolarHBondContact OG1-N 2.9Å; T83-D87 WeakPolarHBondContact O-CB 3.25Å; T83-D87 PolarHBondContact O-N 2.71Å; T83-D110 PolarHBondContact N-O 2.83Å
84	K	95.1	Very high	94.4	Very high	187 Å²	187	64.7 Å²	64.7	81%	0.813	29%	0.289	S	S	*	.	H	α-helix	trans	-57.5	-36.4	178.3	-67.1	-175.1	-178.9	178.8	0	112.1	K88	K84-K88 WeakPolarHBondContact O-CB 3.25Å; K84-K88 PolarHBondContact O-N 3.46Å; K84-K88 VanDerWaalsContact O-N 3.16Å
85	Q	95.5	Very high	93.8	Very high	152 Å²	152	73.5 Å²	73.5	71%	0.71	32%	0.324	S	S	*	.	H	α-helix	trans	-70.7	-44.5	179.7	-174.1	178.5	16.5	0	0	111.5	T83 K88 R89	T83-Q85 PolarHBondContact O-N 2.89Å; Q85-K88 PolarHBondContact O-N 2.72Å; Q85-R89 PolarHBondContact O-N 3.23Å
86	A	95.5	Very high	93.3	Very high	1 Å²	1	76.7 Å²	76.7	1%	0.008	35%	0.348	C	S	.	.	H	α-helix	trans	-66.4	-42.9	178.1	0	0	0	0	0	112	P82 T83 K88 R89 F90 W105 D110	P82-A86 HydrophobicContact CB-CB 4.11Å; T83-A86 PolarHBondContact O-N 2.51Å; T83-A86 WeakPolarHBondContact OG1-CB 3.29Å; T83-A86 PolarHBondContact OG1-N 2.9Å; A86-K88 VanDerWaalsContact C-N 3.31Å; A86-K88 PolarHBondContact O-N 2.81Å; A86-R89 WeakPolarHBondContact O-CB 3.17Å; A86-R89 PolarHBondContact O-N 3.37Å; A86-R89 VanDerWaalsContact O-N 3.15Å; A86-F90 WeakPolarHBondContact O-CB 3.35Å; A86-F90 PolarHBondContact O-N 2.89Å; A86-W105 HydrophobicContact CB-CZ3 4.1Å; A86-D110 HydrophobicContact CB-CB 3.56Å; A86-D110 VanDerWaalsContact CB-O 3.24Å; A86-D110 WeakPolarHBondContact CB-O 3.29Å; A86-D110 WeakPolarHBondContact CB-OD1 3.42Å
87	D	94.1	Very high	92.7	Very high	48 Å²	48	82.4 Å²	82.4	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-58.1	-42.4	174.4	-177.9	60.8	0	0	0	111.7	P82 T83 F90 K91	P82-D87 HydrophobicContact CB-CB 4.4Å; P82-D87 HydrophobicContact CG-CB 4.07Å; T83-D87 WeakPolarHBondContact O-CB 3.25Å; T83-D87 PolarHBondContact O-N 2.71Å; D87-F90 PolarHBondContact O-N 3.16Å; D87-K91 WeakPolarHBondContact O-CB 3.44Å; D87-K91 WeakPolarHBondContact O-CG 3.18Å; D87-K91 PolarHBondContact O-N 3.08Å; D87-K91 WeakPolarHBondContact OD1-CE 3.41Å; D87-K91 IonicContact OD1-NZ 2.71Å; D87-K91 VanDerWaalsContact OD2-CE 3.31Å; D87-K91 WeakPolarHBondContact OD2-CE 3.45Å; D87-K91 IonicContact OD2-NZ 2.9Å; D87-K91 PolarHBondContact OD2-NZ 3.36Å
88	K	93.6	Very high	92	Very high	161 Å²	161	89.8 Å²	89.8	70%	0.7	41%	0.408	S	S	*	.	H	α-helix	trans	-63.5	-42.1	175.8	-173.9	176.6	-179.2	178.3	0	112.2	K84 Q85 A86 K92	K84-K88 WeakPolarHBondContact O-CB 3.25Å; K84-K88 PolarHBondContact O-N 3.46Å; K84-K88 VanDerWaalsContact O-N 3.16Å; Q85-K88 PolarHBondContact O-N 2.72Å; A86-K88 VanDerWaalsContact C-N 3.31Å; A86-K88 PolarHBondContact O-N 2.81Å; K88-K92 WeakPolarHBondContact O-CB 3.34Å; K88-K92 PolarHBondContact O-N 3.18Å
89	R	94.8	Very high	91.2	Very high	128 Å²	128	90 Å²	90	48%	0.483	41%	0.412	S	S	.	.	H	α-helix	trans	-61.4	-47.7	174.6	-91.3	168.7	39.7	123.2	-3.6	111.3	Q85 A86 K92 H93 F103 D110	Q85-R89 PolarHBondContact O-N 3.23Å; A86-R89 WeakPolarHBondContact O-CB 3.17Å; A86-R89 PolarHBondContact O-N 3.37Å; A86-R89 VanDerWaalsContact O-N 3.15Å; R89-K92 PolarHBondContact O-N 2.91Å; R89-H93 PolarHBondContact O-N 2.71Å; R89-F103 HydrophobicContact CB-CE2 4.33Å; R89-F103 HydrophobicContact CB-CZ 4.22Å; R89-D110 IonicContact NH2-OD2 2.95Å
90	F	92.9	Very high	90.5	Very high	6 Å²	6	91.8 Å²	91.8	3%	0.026	42%	0.416	C	S	.	.	H	α-helix	trans	-62.2	-49	-179.3	180	-120.9	0	0	0	111.7	A86 D87 K92 H93 Q94 F103 W105	A86-F90 WeakPolarHBondContact O-CB 3.35Å; A86-F90 PolarHBondContact O-N 2.89Å; D87-F90 PolarHBondContact O-N 3.16Å; F90-K92 VanDerWaalsContact C-N 3.33Å; F90-K92 PolarHBondContact O-N 3.24Å; F90-H93 WeakPolarHBondContact O-CB 3.24Å; F90-H93 PolarHBondContact O-N 2.84Å; F90-H93 VanDerWaalsContact O-N 3.11Å; F90-Q94 HydrophobicContact CD2-CG 4.43Å; F90-Q94 VanDerWaalsContact CE1-CD 3.42Å; F90-Q94 HydrophobicContact CE1-CG 4.23Å; F90-Q94 VanDerWaalsContact CE1-NE2 3.29Å; F90-Q94 HydrophobicContact CE2-CG 4.12Å; F90-Q94 HydrophobicContact CZ-CG 4.02Å; F90-Q94 VanDerWaalsContact CZ-NE2 3.27Å; F90-Q94 WeakPolarHBondContact O-CG 3.19Å; F90-Q94 PolarHBondContact O-N 2.85Å; F90-F103 HydrophobicContact CB-CE1 4.2Å; F90-F103 HydrophobicContact CB-CE2 4.43Å; F90-F103 HydrophobicContact CB-CZ 4.04Å; F90-F103 HydrophobicContact CD2-CB 4.23Å; F90-F103 AromaticContact CD2-CD1 3.64Å; F90-F103 HydrophobicContact CD2-CD1 3.64Å; F90-F103 HydrophobicContact CD2-CD2 4.22Å; F90-F103 AromaticContact CD2-CE1 3.98Å; F90-F103 HydrophobicContact CD2-CE1 3.98Å; F90-F103 AromaticContact CD2-CG 3.76Å; F90-F103 HydrophobicContact CD2-CG 3.76Å; F90-F103 HydrophobicContact CD2-CZ 4.39Å; F90-F103 HydrophobicContact CE2-CB 4.33Å; F90-F103 HydrophobicContact CE2-CD1 4.27Å; F90-F103 HydrophobicContact CE2-CG 4.32Å; F90-W105 HydrophobicContact CB-CH2 3.47Å; F90-W105 VanDerWaalsContact CB-CH2 3.47Å; F90-W105 HydrophobicContact CB-CZ2 3.84Å; F90-W105 HydrophobicContact CB-CZ3 4.31Å; F90-W105 AromaticContact CD1-CH2 3.92Å; F90-W105 HydrophobicContact CD1-CH2 3.92Å; F90-W105 AromaticContact CD1-CZ2 3.76Å; F90-W105 HydrophobicContact CD1-CZ2 3.76Å; F90-W105 AromaticContact CD2-CH2 3.96Å; F90-W105 HydrophobicContact CD2-CH2 3.96Å; F90-W105 AromaticContact CD2-CZ2 3.37Å; F90-W105 HydrophobicContact CD2-CZ2 3.37Å; F90-W105 HydrophobicContact CE1-CZ2 4.08Å; F90-W105 AromaticContact CE2-CZ2 3.74Å; F90-W105 HydrophobicContact CE2-CZ2 3.74Å; F90-W105 AromaticContact CG-CH2 3.52Å; F90-W105 HydrophobicContact CG-CH2 3.52Å; F90-W105 AromaticContact CG-CZ2 3.36Å; F90-W105 HydrophobicContact CG-CZ2 3.36Å; F90-W105 HydrophobicContact CZ-CZ2 4.07Å
91	K	89.6	Confident	90	Very high	90 Å²	90	97 Å²	97	39%	0.391	44%	0.44	S	S	.	.	H	α-helix	trans	-57.4	-45.8	174.7	-75.4	173	178.1	164.2	0	111.9	D87 H93 Q94 Y95	D87-K91 WeakPolarHBondContact O-CB 3.44Å; D87-K91 WeakPolarHBondContact O-CG 3.18Å; D87-K91 PolarHBondContact O-N 3.08Å; D87-K91 WeakPolarHBondContact OD1-CE 3.41Å; D87-K91 IonicContact OD1-NZ 2.71Å; D87-K91 VanDerWaalsContact OD2-CE 3.31Å; D87-K91 WeakPolarHBondContact OD2-CE 3.45Å; D87-K91 IonicContact OD2-NZ 2.9Å; D87-K91 PolarHBondContact OD2-NZ 3.36Å; K91-H93 VanDerWaalsContact C-N 3.29Å; K91-H93 PolarHBondContact O-N 2.95Å; K91-Q94 WeakPolarHBondContact O-CB 3.45Å; K91-Q94 PolarHBondContact O-N 3.39Å; K91-Y95 HydrophobicContact CB-CD2 4.38Å; K91-Y95 HydrophobicContact CB-CE2 4.1Å; K91-Y95 WeakPolarHBondContact O-CD2 3.19Å; K91-Y95 PolarHBondContact O-N 3.41Å
92	K	91	Very high	89.5	Confident	158 Å²	158	95.7 Å²	95.7	69%	0.687	46%	0.455	S	S	*	.	H	α-helix	trans	-57.2	-42.9	176.5	-174.6	179.8	178.1	-176.7	0	111.7	K88 R89 F90 Y95 S96	K88-K92 WeakPolarHBondContact O-CB 3.34Å; K88-K92 PolarHBondContact O-N 3.18Å; R89-K92 PolarHBondContact O-N 2.91Å; F90-K92 VanDerWaalsContact C-N 3.33Å; F90-K92 PolarHBondContact O-N 3.24Å; K92-Y95 PolarHBondContact O-N 2.69Å; K92-S96 PolarHBondContact O-N 3.08Å; K92-S96 PolarHBondContact O-OG 3.12Å
93	H	90.9	Very high	89.2	Confident	33 Å²	33	96.8 Å²	96.8	15%	0.153	46%	0.459	C	S	.	.	H	α-helix	trans	-62.8	-46.3	175.6	-178.7	90	0	0	0	112.2	R89 F90 K91 Y95 S96 H97 S99 K101 F103	R89-H93 PolarHBondContact O-N 2.71Å; F90-H93 WeakPolarHBondContact O-CB 3.24Å; F90-H93 PolarHBondContact O-N 2.84Å; F90-H93 VanDerWaalsContact O-N 3.11Å; K91-H93 VanDerWaalsContact C-N 3.29Å; K91-H93 PolarHBondContact O-N 2.95Å; H93-Y95 VanDerWaalsContact C-N 3.32Å; H93-Y95 PolarHBondContact O-N 3.24Å; H93-S96 PolarHBondContact O-N 3.41Å; H93-S96 PolarHBondContact O-OG 3.11Å; H93-S96 VanDerWaalsContact O-OG 3.09Å; H93-H97 AromaticContact CD2-ND1 4Å; H93-H97 AromaticContact CE1-CE1 3.59Å; H93-H97 AromaticContact CE1-CG 3.88Å; H93-H97 AromaticContact CE1-ND1 3.28Å; H93-H97 PolarHBondContact CE1-ND1 2.95Å; H93-H97 VanDerWaalsContact CE1-ND1 3.28Å; H93-H97 AromaticContact CG-ND1 3.7Å; H93-H97 AromaticContact ND1-CE1 3.48Å; H93-H97 PolarHBondContact ND1-CE1 3.41Å; H93-H97 AromaticContact ND1-ND1 3.23Å; H93-H97 PolarHBondContact ND1-ND1 3.15Å; H93-H97 AromaticContact NE2-ND1 3.76Å; H93-H97 WeakPolarHBondContact O-CB 3.39Å; H93-H97 PolarHBondContact O-N 3.01Å; H93-H97 PolarHBondContact O-ND1 3.49Å; H93-S99 PolarHBondContact CD2-O 3.16Å; H93-K101 PolarHBondContact NE2-O 2.77Å; H93-F103 HydrophobicContact CB-CD2 3.6Å; H93-F103 HydrophobicContact CB-CE2 4.11Å; H93-F103 AromaticContact CG-CD2 3.63Å
94	Q	87.6	Confident	88.9	Confident	64 Å²	64	100.5 Å²	100.5	30%	0.299	48%	0.481	S	S	.	.	H	α-helix	trans	-58.4	-44	176.8	-71.6	-178.7	-49.2	0	0	111.5	F90 K91 K98	F90-Q94 HydrophobicContact CD2-CG 4.43Å; F90-Q94 VanDerWaalsContact CE1-CD 3.42Å; F90-Q94 HydrophobicContact CE1-CG 4.23Å; F90-Q94 VanDerWaalsContact CE1-NE2 3.29Å; F90-Q94 HydrophobicContact CE2-CG 4.12Å; F90-Q94 HydrophobicContact CZ-CG 4.02Å; F90-Q94 VanDerWaalsContact CZ-NE2 3.27Å; F90-Q94 WeakPolarHBondContact O-CG 3.19Å; F90-Q94 PolarHBondContact O-N 2.85Å; K91-Q94 WeakPolarHBondContact O-CB 3.45Å; K91-Q94 PolarHBondContact O-N 3.39Å; Q94-K98 WeakPolarHBondContact O-CA 3.46Å; Q94-K98 PolarHBondContact O-N 3Å
95	Y	84.5	Confident	88.7	Confident	186 Å²	186	93.7 Å²	93.7	73%	0.729	45%	0.45	S	S	*	.	H	α-helix	trans	-65.2	-43.7	177.2	-72.9	-63.4	0	0	0	112.6	K91 K92 H93	K91-Y95 HydrophobicContact CB-CD2 4.38Å; K91-Y95 HydrophobicContact CB-CE2 4.1Å; K91-Y95 WeakPolarHBondContact O-CD2 3.19Å; K91-Y95 PolarHBondContact O-N 3.41Å; K92-Y95 PolarHBondContact O-N 2.69Å; H93-Y95 VanDerWaalsContact C-N 3.32Å; H93-Y95 PolarHBondContact O-N 3.24Å
96	S	87.9	Confident	88.5	Confident	79 Å²	79	89.3 Å²	89.3	55%	0.552	43%	0.432	S	S	*	.	H	α-helix	trans	-73.2	-34.9	-176.1	63.8	0	0	0	0	113.5	K92 H93	K92-S96 PolarHBondContact O-N 3.08Å; K92-S96 PolarHBondContact O-OG 3.12Å; H93-S96 PolarHBondContact O-N 3.41Å; H93-S96 PolarHBondContact O-OG 3.11Å; H93-S96 VanDerWaalsContact O-OG 3.09Å
97	H	84.2	Confident	88.1	Confident	120 Å²	120	90.1 Å²	90.1	56%	0.556	44%	0.437	S	S	*	.	H	α-helix	trans	-103.4	-3.9	-176.4	-61.3	93.2	0	0	0	113.6	H93 S99	H93-H97 AromaticContact CD2-ND1 4Å; H93-H97 AromaticContact CE1-CE1 3.59Å; H93-H97 AromaticContact CE1-CG 3.88Å; H93-H97 AromaticContact CE1-ND1 3.28Å; H93-H97 PolarHBondContact CE1-ND1 2.95Å; H93-H97 VanDerWaalsContact CE1-ND1 3.28Å; H93-H97 AromaticContact CG-ND1 3.7Å; H93-H97 AromaticContact ND1-CE1 3.48Å; H93-H97 PolarHBondContact ND1-CE1 3.41Å; H93-H97 AromaticContact ND1-ND1 3.23Å; H93-H97 PolarHBondContact ND1-ND1 3.15Å; H93-H97 AromaticContact NE2-ND1 3.76Å; H93-H97 WeakPolarHBondContact O-CB 3.39Å; H93-H97 PolarHBondContact O-N 3.01Å; H93-H97 PolarHBondContact O-ND1 3.49Å; H97-S99 PolarHBondContact O-N 3.3Å
98	K	81.5	Confident	87.8	Confident	201 Å²	201	95.3 Å²	95.3	87%	0.874	46%	0.457	S	S	*	.	S	Bend	trans	48.3	29.4	-169.8	-61.1	-173.4	178.3	-176.7	0	112.9	Q94	Q94-K98 WeakPolarHBondContact O-CA 3.46Å; Q94-K98 PolarHBondContact O-N 3Å
99	S	80.2	Confident	87.7	Confident	41 Å²	41	94.5 Å²	94.5	29%	0.287	46%	0.456	S	S	.	.	S	Bend	trans	-158.4	148.6	-175.8	-169	0	0	0	0	109.8	H93 H97 K101	H93-S99 PolarHBondContact CD2-O 3.16Å; H97-S99 PolarHBondContact O-N 3.3Å; S99-K101 WeakPolarHBondContact OG-CB 3.31Å; S99-K101 PolarHBondContact OG-N 3.35Å
100	Y	80.4	Confident	87.7	Confident	86 Å²	86	89.1 Å²	89.1	34%	0.337	44%	0.436	S	S	.	.	S	Bend	trans	-83.9	-16.8	168.8	64.4	-90.3	0	0	0	112.1	F103 D135	Y100-F103 WeakPolarHBondContact O-CB 3.17Å; Y100-F103 PolarHBondContact O-N 3.25Å; Y100-D135 HydrophobicContact CD1-CB 4.38Å; Y100-D135 HydrophobicContact CD2-CB 4.36Å; Y100-D135 HydrophobicContact CE1-CB 4.11Å; Y100-D135 HydrophobicContact CE2-CB 4.09Å; Y100-D135 VanDerWaalsContact CE2-CG 3.43Å; Y100-D135 WeakPolarHBondContact CE2-OD1 3.09Å; Y100-D135 HydrophobicContact CG-CB 4.5Å; Y100-D135 PolarHBondContact OH-OD1 3.33Å; Y100-D135 PolarHBondContact OH-OD2 3.33Å
101	K	83.8	Confident	87.9	Confident	148 Å²	148	89.1 Å²	89.1	64%	0.643	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	144.4	-177.1	-66	-173.9	178.7	-177.5	0	110.7	H93 S99 F103	H93-K101 PolarHBondContact NE2-O 2.77Å; S99-K101 WeakPolarHBondContact OG-CB 3.31Å; S99-K101 PolarHBondContact OG-N 3.35Å; K101-F103 PolarHBondContact O-N 3.33Å
102	G	84.3	Confident	88.1	Confident	72 Å²	72	90.3 Å²	90.3	74%	0.742	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-5.9	-178.9	0	0	0	0	0	115.1	T104	G102-T104 PolarHBondContact O-N 3.16Å
103	F	89.8	Confident	88.3	Confident	33 Å²	33	89.4 Å²	89.4	15%	0.145	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-72.6	126.7	170	-169.6	-95.2	0	0	0	110.2	R89 F90 H93 Y100 K101 W105	R89-F103 HydrophobicContact CB-CE2 4.33Å; R89-F103 HydrophobicContact CB-CZ 4.22Å; F90-F103 HydrophobicContact CB-CE1 4.2Å; F90-F103 HydrophobicContact CB-CE2 4.43Å; F90-F103 HydrophobicContact CB-CZ 4.04Å; F90-F103 HydrophobicContact CD2-CB 4.23Å; F90-F103 AromaticContact CD2-CD1 3.64Å; F90-F103 HydrophobicContact CD2-CD1 3.64Å; F90-F103 HydrophobicContact CD2-CD2 4.22Å; F90-F103 AromaticContact CD2-CE1 3.98Å; F90-F103 HydrophobicContact CD2-CE1 3.98Å; F90-F103 AromaticContact CD2-CG 3.76Å; F90-F103 HydrophobicContact CD2-CG 3.76Å; F90-F103 HydrophobicContact CD2-CZ 4.39Å; F90-F103 HydrophobicContact CE2-CB 4.33Å; F90-F103 HydrophobicContact CE2-CD1 4.27Å; F90-F103 HydrophobicContact CE2-CG 4.32Å; H93-F103 HydrophobicContact CB-CD2 3.6Å; H93-F103 HydrophobicContact CB-CE2 4.11Å; H93-F103 AromaticContact CG-CD2 3.63Å; Y100-F103 WeakPolarHBondContact O-CB 3.17Å; Y100-F103 PolarHBondContact O-N 3.25Å; K101-F103 PolarHBondContact O-N 3.33Å; F103-W105 AromaticContact CD1-CD1 3.93Å; F103-W105 AromaticContact CD1-CD2 3.82Å; F103-W105 HydrophobicContact CD1-CD2 3.82Å; F103-W105 AromaticContact CD1-CE2 3.61Å; F103-W105 HydrophobicContact CD1-CE3 4.41Å; F103-W105 HydrophobicContact CD1-CG 4.04Å; F103-W105 HydrophobicContact CD1-CZ2 4.08Å; F103-W105 AromaticContact CD1-NE1 3.69Å; F103-W105 AromaticContact CE1-CD2 3.51Å; F103-W105 HydrophobicContact CE1-CD2 3.51Å; F103-W105 AromaticContact CE1-CE2 3.63Å; F103-W105 AromaticContact CE1-CE3 3.65Å; F103-W105 HydrophobicContact CE1-CE3 3.65Å; F103-W105 HydrophobicContact CE1-CG 4.04Å; F103-W105 HydrophobicContact CE1-CH2 4.06Å; F103-W105 AromaticContact CE1-CZ2 3.92Å; F103-W105 HydrophobicContact CE1-CZ2 3.92Å; F103-W105 AromaticContact CE1-CZ3 3.92Å; F103-W105 HydrophobicContact CE1-CZ3 3.92Å
104	T	89.7	Confident	88.5	Confident	116 Å²	116	90 Å²	90	71%	0.712	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-103.6	119.3	178.4	-54.3	0	0	0	0	109.5	G102	G102-T104 PolarHBondContact O-N 3.16Å
105	W	91.3	Very high	88.8	Confident	44 Å²	44	90.1 Å²	90.1	17%	0.167	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-85.9	133.9	175.5	-67.6	100.3	0	0	0	111.5	P82 A86 F90 F103 V107 D110 F111 P133	P82-W105 HydrophobicContact CB-CH2 4.15Å; P82-W105 HydrophobicContact CB-CZ3 3.88Å; P82-W105 HydrophobicContact CG-CH2 4.41Å; A86-W105 HydrophobicContact CB-CZ3 4.1Å; F90-W105 HydrophobicContact CB-CH2 3.47Å; F90-W105 VanDerWaalsContact CB-CH2 3.47Å; F90-W105 HydrophobicContact CB-CZ2 3.84Å; F90-W105 HydrophobicContact CB-CZ3 4.31Å; F90-W105 AromaticContact CD1-CH2 3.92Å; F90-W105 HydrophobicContact CD1-CH2 3.92Å; F90-W105 AromaticContact CD1-CZ2 3.76Å; F90-W105 HydrophobicContact CD1-CZ2 3.76Å; F90-W105 AromaticContact CD2-CH2 3.96Å; F90-W105 HydrophobicContact CD2-CH2 3.96Å; F90-W105 AromaticContact CD2-CZ2 3.37Å; F90-W105 HydrophobicContact CD2-CZ2 3.37Å; F90-W105 HydrophobicContact CE1-CZ2 4.08Å; F90-W105 AromaticContact CE2-CZ2 3.74Å; F90-W105 HydrophobicContact CE2-CZ2 3.74Å; F90-W105 AromaticContact CG-CH2 3.52Å; F90-W105 HydrophobicContact CG-CH2 3.52Å; F90-W105 AromaticContact CG-CZ2 3.36Å; F90-W105 HydrophobicContact CG-CZ2 3.36Å; F90-W105 HydrophobicContact CZ-CZ2 4.07Å; F103-W105 AromaticContact CD1-CD1 3.93Å; F103-W105 AromaticContact CD1-CD2 3.82Å; F103-W105 HydrophobicContact CD1-CD2 3.82Å; F103-W105 AromaticContact CD1-CE2 3.61Å; F103-W105 HydrophobicContact CD1-CE3 4.41Å; F103-W105 HydrophobicContact CD1-CG 4.04Å; F103-W105 HydrophobicContact CD1-CZ2 4.08Å; F103-W105 AromaticContact CD1-NE1 3.69Å; F103-W105 AromaticContact CE1-CD2 3.51Å; F103-W105 HydrophobicContact CE1-CD2 3.51Å; F103-W105 AromaticContact CE1-CE2 3.63Å; F103-W105 AromaticContact CE1-CE3 3.65Å; F103-W105 HydrophobicContact CE1-CE3 3.65Å; F103-W105 HydrophobicContact CE1-CG 4.04Å; F103-W105 HydrophobicContact CE1-CH2 4.06Å; F103-W105 AromaticContact CE1-CZ2 3.92Å; F103-W105 HydrophobicContact CE1-CZ2 3.92Å; F103-W105 AromaticContact CE1-CZ3 3.92Å; F103-W105 HydrophobicContact CE1-CZ3 3.92Å; W105-V107 PolarHBondContact O-N 2.81Å; W105-D110 HydrophobicContact CE3-CB 3.88Å; W105-D110 HydrophobicContact CZ3-CB 4.33Å; W105-F111 HydrophobicContact CB-CE2 4.15Å; W105-F111 AromaticContact CD2-CE2 3.94Å; W105-F111 HydrophobicContact CD2-CE2 3.94Å; W105-F111 AromaticContact CD2-CZ 3.95Å; W105-F111 HydrophobicContact CD2-CZ 3.95Å; W105-F111 AromaticContact CE3-CE2 3.56Å; W105-F111 HydrophobicContact CE3-CE2 3.56Å; W105-F111 AromaticContact CE3-CZ 3.74Å; W105-F111 HydrophobicContact CE3-CZ 3.74Å; W105-F111 HydrophobicContact CG-CE2 4.24Å; W105-F111 HydrophobicContact CG-CZ 4.41Å; W105-F111 HydrophobicContact CZ3-CE2 4.25Å; W105-F111 HydrophobicContact CZ3-CZ 4.14Å; W105-P133 HydrophobicContact CB-CG 4.27Å; W105-P133 HydrophobicContact CD2-CG 4Å; W105-P133 HydrophobicContact CG-CG 3.61Å
106	N	91.1	Very high	89.3	Confident	61 Å²	61	90.9 Å²	90.9	33%	0.326	47%	0.472	S	S	.	.			trans	-90.4	91.7	162	-176.4	-15.3	0	0	0	108.8	K108 E109 D110	N106-K108 PolarHBondContact O-N 3.35Å; N106-K108 PolarHBondContact OD1-N 2.95Å; N106-E109 HydrophobicContact CB-CB 4.42Å; N106-E109 PolarHBondContact ND2-OE1 3.32Å; N106-E109 PolarHBondContact ND2-OE2 2.68Å; N106-E109 PolarHBondContact O-N 2.85Å; N106-D110 PolarHBondContact N-OD2 2.81Å; N106-D110 VanDerWaalsContact O-CB 3.25Å; N106-D110 WeakPolarHBondContact O-CB 3.33Å; N106-D110 PolarHBondContact O-N 3.41Å
107	V	87.4	Confident	89.7	Confident	17 Å²	17	88.5 Å²	88.5	10%	0.103	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-26.3	-173.9	177.7	0	0	0	0	113.7	R80 W105 I139	R80-V107 PolarHBondContact NH2-O 3.25Å; W105-V107 PolarHBondContact O-N 2.81Å; V107-I139 HydrophobicContact CG1-CD1 4.31Å
108	K	86.9	Confident	90.3	Very high	158 Å²	158	84.1 Å²	84.1	69%	0.687	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-39.5	178.7	-67.8	-175.1	178.9	-178.7	0	113	N106	N106-K108 PolarHBondContact O-N 3.35Å; N106-K108 PolarHBondContact OD1-N 2.95Å
109	E	91.7	Very high	90.9	Very high	143 Å²	143	77.2 Å²	77.2	67%	0.668	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-34.9	-172.2	-68.4	169.9	-160.9	0	0	113	N106 F111	N106-E109 HydrophobicContact CB-CB 4.42Å; N106-E109 PolarHBondContact ND2-OE1 3.32Å; N106-E109 PolarHBondContact ND2-OE2 2.68Å; N106-E109 PolarHBondContact O-N 2.85Å; E109-F111 VanDerWaalsContact C-N 3.26Å; E109-F111 PolarHBondContact O-N 2.99Å
110	D	95.4	Very high	91.7	Very high	15 Å²	15	77.3 Å²	77.3	8%	0.08	41%	0.408	C	S	.	.	S	Bend	trans	-78.5	-9.2	-172.6	-76.4	-29	0	0	0	113	P82 T83 A86 R89 W105 N106	P82-D110 CarbonylContact C-O 3.54Å; P82-D110 WeakPolarHBondContact CA-O 3.43Å; T83-D110 PolarHBondContact N-O 2.83Å; A86-D110 HydrophobicContact CB-CB 3.56Å; A86-D110 VanDerWaalsContact CB-O 3.24Å; A86-D110 WeakPolarHBondContact CB-O 3.29Å; A86-D110 WeakPolarHBondContact CB-OD1 3.42Å; R89-D110 IonicContact NH2-OD2 2.95Å; W105-D110 HydrophobicContact CE3-CB 3.88Å; W105-D110 HydrophobicContact CZ3-CB 4.33Å; N106-D110 PolarHBondContact N-OD2 2.81Å; N106-D110 VanDerWaalsContact O-CB 3.25Å; N106-D110 WeakPolarHBondContact O-CB 3.33Å; N106-D110 PolarHBondContact O-N 3.41Å
111	F	96.1	Very high	92.3	Very high	7 Å²	7	73.3 Å²	73.3	3%	0.031	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-121.4	145.7	-172.4	-72.2	-97	0	0	0	113.1	R80 W105 E109 P133 G137 I139	R80-F111 HydrophobicContact CG-CB 4.1Å; R80-F111 HydrophobicContact CG-CD1 4.17Å; W105-F111 HydrophobicContact CB-CE2 4.15Å; W105-F111 AromaticContact CD2-CE2 3.94Å; W105-F111 HydrophobicContact CD2-CE2 3.94Å; W105-F111 AromaticContact CD2-CZ 3.95Å; W105-F111 HydrophobicContact CD2-CZ 3.95Å; W105-F111 AromaticContact CE3-CE2 3.56Å; W105-F111 HydrophobicContact CE3-CE2 3.56Å; W105-F111 AromaticContact CE3-CZ 3.74Å; W105-F111 HydrophobicContact CE3-CZ 3.74Å; W105-F111 HydrophobicContact CG-CE2 4.24Å; W105-F111 HydrophobicContact CG-CZ 4.41Å; W105-F111 HydrophobicContact CZ3-CE2 4.25Å; W105-F111 HydrophobicContact CZ3-CZ 4.14Å; E109-F111 VanDerWaalsContact C-N 3.26Å; E109-F111 PolarHBondContact O-N 2.99Å; F111-P133 HydrophobicContact CE1-CB 4.09Å; F111-P133 HydrophobicContact CE2-CG 4.37Å; F111-P133 HydrophobicContact CZ-CB 3.68Å; F111-P133 HydrophobicContact CZ-CG 3.69Å; F111-G137 VanDerWaalsContact CE1-O 3.23Å; F111-G137 WeakPolarHBondContact CE1-O 3.36Å; F111-I139 HydrophobicContact CD1-CD1 3.89Å; F111-I139 HydrophobicContact CD1-CG1 4.32Å; F111-I139 HydrophobicContact CE1-CD1 3.83Å; F111-I139 HydrophobicContact CE1-CG1 3.9Å; F111-I139 HydrophobicContact CG-CD1 4.31Å; F111-I139 HydrophobicContact CZ-CD1 4.22Å; F111-I139 HydrophobicContact CZ-CG1 4.42Å
112	K	95.6	Very high	92.5	Very high	115 Å²	115	73.7 Å²	73.7	50%	0.5	40%	0.397	S	S	.	.			trans	-61	152.5	173.8	-63.1	-177.6	-175.5	-178.2	0	111	R80 K81	R80-K112 WeakPolarHBondContact CG-O 3.45Å; R80-K112 PolarHBondContact NE-O 3.22Å; K81-K112 PolarHBondContact O-N 3.1Å
113	T	94.4	Very high	92.5	Very high	138 Å²	138	74.8 Å²	74.8	85%	0.847	38%	0.378	S	S	*	.			trans	-67.6	149.8	170.8	51.7	0	0	0	0	110.1
114	V	94.8	Very high	92.6	Very high	47 Å²	47	73.9 Å²	73.9	29%	0.285	38%	0.375	S	S	.	.			trans	-125.9	157.9	174.4	-69.4	0	0	0	0	108.5	R80 W118	R80-V114 HydrophobicContact CB-CG1 3.81Å; R80-V114 HydrophobicContact CG-CG1 3.78Å; V114-W118 HydrophobicContact CB-CB 3.81Å; V114-W118 HydrophobicContact CB-CD2 4.19Å; V114-W118 HydrophobicContact CB-CG 3.77Å; V114-W118 HydrophobicContact CG1-CD2 4.33Å; V114-W118 HydrophobicContact CG1-CG 4.15Å; V114-W118 HydrophobicContact CG2-CB 3.82Å; V114-W118 HydrophobicContact CG2-CD2 3.81Å; V114-W118 HydrophobicContact CG2-CE3 3.89Å; V114-W118 HydrophobicContact CG2-CG 3.81Å
115	P	94.7	Very high	92.6	Very high	65 Å²	65	75.6 Å²	75.6	42%	0.422	38%	0.375	S	S	.	.			trans	-57.5	155.8	172.8	-23.1	34.4	0	0	0	112	L78 S117 W118 V143	L78-P115 HydrophobicContact CD2-CG 4.49Å; P115-S117 PolarHBondContact O-N 2.86Å; P115-W118 WeakPolarHBondContact O-CB 3.43Å; P115-W118 PolarHBondContact O-N 3.17Å; P115-V143 HydrophobicContact CG-CG2 4.36Å
116	E	94.6	Very high	92.6	Very high	202 Å²	202	78.2 Å²	78.2	94%	0.944	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.9	177.3	-175.1	178.8	-177.5	0	0	112.6	W118	E116-W118 PolarHBondContact O-N 2.97Å
117	S	95.4	Very high	92.4	Very high	29 Å²	29	81.2 Å²	81.2	20%	0.203	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-2.3	176.2	55.8	0	0	0	0	114	W75 P115	W75-S117 WeakPolarHBondContact CZ3-O 3.21Å; P115-S117 PolarHBondContact O-N 2.86Å
118	W	96.5	Very high	92.4	Very high	28 Å²	28	87.4 Å²	87.4	11%	0.106	43%	0.433	C	S	.	.			trans	-69.5	134	177.1	180	88	0	0	0	111	L78 R80 V114 P115 E116 P120 P131 I139 W142	L78-W118 PolarHBondContact O-NE1 3.08Å; R80-W118 HydrophobicContact CB-CZ2 4.1Å; V114-W118 HydrophobicContact CB-CB 3.81Å; V114-W118 HydrophobicContact CB-CD2 4.19Å; V114-W118 HydrophobicContact CB-CG 3.77Å; V114-W118 HydrophobicContact CG1-CD2 4.33Å; V114-W118 HydrophobicContact CG1-CG 4.15Å; V114-W118 HydrophobicContact CG2-CB 3.82Å; V114-W118 HydrophobicContact CG2-CD2 3.81Å; V114-W118 HydrophobicContact CG2-CE3 3.89Å; V114-W118 HydrophobicContact CG2-CG 3.81Å; P115-W118 WeakPolarHBondContact O-CB 3.43Å; P115-W118 PolarHBondContact O-N 3.17Å; E116-W118 PolarHBondContact O-N 2.97Å; W118-P120 HydrophobicContact CH2-CB 3.78Å; W118-P120 HydrophobicContact CZ3-CB 4.09Å; W118-P120 HydrophobicContact CZ3-CG 4.41Å; W118-P131 HydrophobicContact CH2-CG 4.4Å; W118-P131 HydrophobicContact CZ3-CG 4.4Å; W118-I139 HydrophobicContact CH2-CG2 3.78Å; W118-I139 HydrophobicContact CZ2-CG2 4.14Å; W118-W142 VanDerWaalsContact CA-O 3.3Å; W118-W142 WeakPolarHBondContact CA-O 3.31Å
119	V	95.7	Very high	92.3	Very high	57 Å²	57	83.1 Å²	83.1	35%	0.345	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.1	175.1	-58.9	0	0	0	0	110.7	W75 G141 W142	W75-V119 HydrophobicContact CE3-CG2 4.08Å; W75-V119 HydrophobicContact CH2-CG1 4.2Å; W75-V119 HydrophobicContact CH2-CG2 4.2Å; W75-V119 HydrophobicContact CZ3-CB 4.44Å; W75-V119 HydrophobicContact CZ3-CG1 4.1Å; W75-V119 HydrophobicContact CZ3-CG2 3.58Å; V119-G141 CarbonylContact O-C 3.42Å; V119-G141 WeakPolarHBondContact O-CA 3.2Å; V119-W142 HydrophobicContact CG2-CB 3.94Å; V119-W142 PolarHBondContact N-O 3.13Å; V119-W142 PolarHBondContact O-N 2.84Å
120	P	95.3	Very high	92.2	Very high	43 Å²	43	80.3 Å²	80.3	28%	0.279	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	146.1	173.1	28.2	-33.2	0	0	0	110.2	W118 V124 P131	W118-P120 HydrophobicContact CH2-CB 3.78Å; W118-P120 HydrophobicContact CZ3-CB 4.09Å; W118-P120 HydrophobicContact CZ3-CG 4.41Å; P120-V124 HydrophobicContact CB-CB 4.27Å; P120-V124 HydrophobicContact CB-CG1 4.35Å; P120-V124 HydrophobicContact CB-CG2 4.47Å; P120-P131 HydrophobicContact CB-CB 4.06Å; P120-P131 HydrophobicContact CB-CG 4.45Å
121	A	93.9	Very high	92.1	Very high	1 Å²	1	80.6 Å²	80.6	1%	0.008	42%	0.423	C	S	.	.			trans	-65.4	149.6	174	0	0	0	0	0	110.6	Q8 R123 V124 P140	Q8-A121 HydrophobicContact CB-CB 4.48Å; Q8-A121 WeakPolarHBondContact O-CB 3.32Å; A121-R123 PolarHBondContact O-N 2.95Å; A121-V124 HydrophobicContact CB-CG2 4.07Å; A121-V124 VanDerWaalsContact O-CB 3.27Å; A121-V124 WeakPolarHBondContact O-CB 3.4Å; A121-V124 VanDerWaalsContact O-CG2 3.29Å; A121-V124 WeakPolarHBondContact O-CG2 3.43Å; A121-V124 PolarHBondContact O-N 3.27Å; A121-P140 HydrophobicContact CB-CB 3.78Å; A121-P140 PolarHBondContact N-O 2.92Å
122	H	87.5	Confident	91.9	Very high	157 Å²	157	81.9 Å²	81.9	73%	0.727	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.4	-164.8	-174.6	73.6	0	0	0	114.6	Q8	Q8-H122 HydrophobicContact CB-CB 4.38Å; Q8-H122 HydrophobicContact CG-CB 3.97Å
123	R	85.1	Confident	91.7	Very high	95 Å²	95	77.3 Å²	77.3	36%	0.358	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	8.1	-179.3	-66.9	-171.5	178.6	-177.8	3	113.9	Q8 A121 Q125 G259	Q8-R123 HydrophobicContact CB-CB 3.83Å; Q8-R123 HydrophobicContact CB-CG 3.79Å; A121-R123 PolarHBondContact O-N 2.95Å; R123-Q125 PolarHBondContact O-N 3.07Å; R123-G259 PolarHBondContact NH1-O 3.4Å; R123-G259 PolarHBondContact NH2-O 3.35Å; R123-G259 VanDerWaalsContact NH2-O 3.16Å
124	V	90.6	Very high	91.5	Very high	13 Å²	13	72.6 Å²	72.6	8%	0.079	38%	0.384	C	S	.	.			trans	-65.9	128.6	172.6	171.8	0	0	0	0	109.4	P120 A121 H126 P131 I139 P140	P120-V124 HydrophobicContact CB-CB 4.27Å; P120-V124 HydrophobicContact CB-CG1 4.35Å; P120-V124 HydrophobicContact CB-CG2 4.47Å; A121-V124 HydrophobicContact CB-CG2 4.07Å; A121-V124 VanDerWaalsContact O-CB 3.27Å; A121-V124 WeakPolarHBondContact O-CB 3.4Å; A121-V124 VanDerWaalsContact O-CG2 3.29Å; A121-V124 WeakPolarHBondContact O-CG2 3.43Å; A121-V124 PolarHBondContact O-N 3.27Å; V124-H126 PolarHBondContact O-CE1 2.76Å; V124-H126 VanDerWaalsContact O-CE1 3.31Å; V124-H126 PolarHBondContact O-ND1 3.37Å; V124-P131 HydrophobicContact CG1-CB 3.58Å; V124-I139 HydrophobicContact CG1-CG2 3.95Å; V124-P140 HydrophobicContact CG2-CB 3.59Å; V124-P140 HydrophobicContact CG2-CG 4.11Å; V124-P140 WeakPolarHBondContact CG2-O 3.36Å
125	Q	89.9	Confident	91	Very high	152 Å²	152	74.2 Å²	74.2	71%	0.71	39%	0.391	S	S	*	.			trans	-66.6	148.7	175.7	-68.1	-175.5	-7.7	0	0	110.7	R123 P131 V132	R123-Q125 PolarHBondContact O-N 3.07Å; Q125-P131 WeakPolarHBondContact O-CA 3.42Å; Q125-V132 HydrophobicContact CB-CG2 3.56Å; Q125-V132 WeakPolarHBondContact O-CG2 3.44Å; Q125-V132 PolarHBondContact O-N 3.01Å
126	H	91.3	Very high	90.4	Very high	100 Å²	100	75.8 Å²	75.8	46%	0.463	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.9	178	-70.5	67.9	0	0	0	110.4	V124 Q130	V124-H126 PolarHBondContact O-CE1 2.76Å; V124-H126 VanDerWaalsContact O-CE1 3.31Å; V124-H126 PolarHBondContact O-ND1 3.37Å; H126-Q130 CarbonylContact C-O 3.53Å; H126-Q130 VanDerWaalsContact CA-O 3.23Å; H126-Q130 WeakPolarHBondContact CA-O 3.3Å
127	H	88.1	Confident	90.1	Very high	123 Å²	123	66.1 Å²	66.1	57%	0.569	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.5	171.7	-177.4	-101.6	0	0	0	108.6	G129 Q130 V132	H127-G129 PolarHBondContact O-N 3.2Å; H127-Q130 PolarHBondContact N-O 2.91Å; H127-Q130 PolarHBondContact O-N 3.44Å; H127-V132 HydrophobicContact CB-CG1 3.63Å
128	N	86.7	Confident	89.9	Confident	147 Å²	147	67.2 Å²	67.2	79%	0.786	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	41	-173.2	-61	-22.8	0	0	0	113.2	Q130	N128-Q130 PolarHBondContact O-N 2.88Å
129	G	85.9	Confident	89.9	Confident	68 Å²	68	65.9 Å²	65.9	70%	0.701	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	3.3	179.9	0	0	0	0	0	115.4	H127	H127-G129 PolarHBondContact O-N 3.2Å
130	Q	89.1	Confident	89.8	Confident	85 Å²	85	63.4 Å²	63.4	40%	0.397	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	139	176.6	-64.4	-173	2.4	0	0	111.3	H126 H127 N128 V132	H126-Q130 CarbonylContact C-O 3.53Å; H126-Q130 VanDerWaalsContact CA-O 3.23Å; H126-Q130 WeakPolarHBondContact CA-O 3.3Å; H127-Q130 PolarHBondContact N-O 2.91Å; H127-Q130 PolarHBondContact O-N 3.44Å; N128-Q130 PolarHBondContact O-N 2.88Å; Q130-V132 PolarHBondContact O-N 3.11Å
131	P	92.9	Very high	89.8	Confident	20 Å²	20	61.4 Å²	61.4	13%	0.13	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	135.2	176.3	28.2	-34.5	0	0	0	110.3	W118 P120 V124 Q125 I139	W118-P131 HydrophobicContact CH2-CG 4.4Å; W118-P131 HydrophobicContact CZ3-CG 4.4Å; P120-P131 HydrophobicContact CB-CB 4.06Å; P120-P131 HydrophobicContact CB-CG 4.45Å; V124-P131 HydrophobicContact CG1-CB 3.58Å; Q125-P131 WeakPolarHBondContact O-CA 3.42Å; P131-I139 HydrophobicContact CB-CG2 3.83Å; P131-I139 HydrophobicContact CG-CG2 4.33Å
132	V	91.7	Very high	90	Very high	35 Å²	35	61.4 Å²	61.4	21%	0.212	32%	0.316	C	S	.	.			trans	-106.6	150.6	178	-62.1	0	0	0	0	110.9	Q125 H127 Q130	Q125-V132 HydrophobicContact CB-CG2 3.56Å; Q125-V132 WeakPolarHBondContact O-CG2 3.44Å; Q125-V132 PolarHBondContact O-N 3.01Å; H127-V132 HydrophobicContact CB-CG1 3.63Å; Q130-V132 PolarHBondContact O-N 3.11Å
133	P	91.9	Very high	90.4	Very high	19 Å²	19	54.2 Å²	54.2	12%	0.123	28%	0.282	C	S	.	.			trans	-68.4	154.8	179.4	29	-37.3	0	0	0	112.7	W105 F111 H138 I139	W105-P133 HydrophobicContact CB-CG 4.27Å; W105-P133 HydrophobicContact CD2-CG 4Å; W105-P133 HydrophobicContact CG-CG 3.61Å; F111-P133 HydrophobicContact CE1-CB 4.09Å; F111-P133 HydrophobicContact CE2-CG 4.37Å; F111-P133 HydrophobicContact CZ-CB 3.68Å; F111-P133 HydrophobicContact CZ-CG 3.69Å; P133-H138 CarbonylContact C-O 3.5Å; P133-H138 VanDerWaalsContact CA-O 3.28Å; P133-H138 WeakPolarHBondContact CA-O 3.46Å; P133-I139 HydrophobicContact CB-CG1 3.92Å
134	D	89.1	Confident	91	Very high	39 Å²	39	49.7 Å²	49.7	21%	0.209	27%	0.266	C	S	.	.			trans	-70.2	178.5	167.6	73.7	5.4	0	0	0	112.1	H136 G137 H138	D134-H136 PolarHBondContact O-N 3.37Å; D134-H136 WeakPolarHBondContact OD1-CA 3.12Å; D134-H136 WeakPolarHBondContact OD1-CB 3.26Å; D134-H136 PolarHBondContact OD1-N 3.38Å; D134-H136 IonicContact OD2-ND1 3.53Å; D134-G137 PolarHBondContact O-N 3.26Å; D134-G137 PolarHBondContact OD1-N 3.42Å; D134-G137 VanDerWaalsContact OD1-N 3.16Å; D134-H138 PolarHBondContact N-O 2.86Å; D134-H138 PolarHBondContact OD1-N 2.92Å
135	D	84.5	Confident	91.4	Very high	81 Å²	81	49.1 Å²	49.1	43%	0.433	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-13.8	179.4	-66.8	-5	0	0	0	114	Y100	Y100-D135 HydrophobicContact CD1-CB 4.38Å; Y100-D135 HydrophobicContact CD2-CB 4.36Å; Y100-D135 HydrophobicContact CE1-CB 4.11Å; Y100-D135 HydrophobicContact CE2-CB 4.09Å; Y100-D135 VanDerWaalsContact CE2-CG 3.43Å; Y100-D135 WeakPolarHBondContact CE2-OD1 3.09Å; Y100-D135 HydrophobicContact CG-CB 4.5Å; Y100-D135 PolarHBondContact OH-OD1 3.33Å; Y100-D135 PolarHBondContact OH-OD2 3.33Å
136	H	82.4	Confident	91.5	Very high	97 Å²	97	45 Å²	45	45%	0.449	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	3.5	176.6	-54.2	87.2	0	0	0	112.6	K10 D134	K10-H136 PolarHBondContact NZ-CD2 3.04Å; K10-H136 PolarHBondContact NZ-CE1 3.23Å; K10-H136 VanDerWaalsContact NZ-CG 3.34Å; K10-H136 PolarHBondContact NZ-ND1 3.49Å; K10-H136 PolarHBondContact NZ-NE2 3.47Å; D134-H136 PolarHBondContact O-N 3.37Å; D134-H136 WeakPolarHBondContact OD1-CA 3.12Å; D134-H136 WeakPolarHBondContact OD1-CB 3.26Å; D134-H136 PolarHBondContact OD1-N 3.38Å; D134-H136 IonicContact OD2-ND1 3.53Å
137	G	88.8	Confident	91.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	78.9	15.4	-179.4	0	0	0	0	0	113.7	P82 F111 D134	P82-G137 WeakPolarHBondContact CD-O 3.43Å; F111-G137 VanDerWaalsContact CE1-O 3.23Å; F111-G137 WeakPolarHBondContact CE1-O 3.36Å; D134-G137 PolarHBondContact O-N 3.26Å; D134-G137 PolarHBondContact OD1-N 3.42Å; D134-G137 VanDerWaalsContact OD1-N 3.16Å
138	H	91.8	Very high	90.9	Very high	52 Å²	52	49.7 Å²	49.7	24%	0.241	27%	0.268	C	S	.	.			trans	-105.9	146.5	179.4	-68.4	179.7	0	0	0	111.3	P133 D134 P140	P133-H138 CarbonylContact C-O 3.5Å; P133-H138 VanDerWaalsContact CA-O 3.28Å; P133-H138 WeakPolarHBondContact CA-O 3.46Å; D134-H138 PolarHBondContact N-O 2.86Å; D134-H138 PolarHBondContact OD1-N 2.92Å; H138-P140 VanDerWaalsContact O-CD 3.29Å; H138-P140 WeakPolarHBondContact O-CD 3.19Å
139	I	94.7	Very high	91	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-108.9	101.5	169.7	-54.2	167.1	0	0	0	108.3	D79 R80 V107 F111 W118 V124 P131 P133	D79-I139 CarbonylContact C-O 3.58Å; D79-I139 WeakPolarHBondContact CA-O 3.24Å; R80-I139 HydrophobicContact CB-CB 4.15Å; R80-I139 PolarHBondContact N-O 3.09Å; R80-I139 PolarHBondContact O-N 3.14Å; V107-I139 HydrophobicContact CG1-CD1 4.31Å; F111-I139 HydrophobicContact CD1-CD1 3.89Å; F111-I139 HydrophobicContact CD1-CG1 4.32Å; F111-I139 HydrophobicContact CE1-CD1 3.83Å; F111-I139 HydrophobicContact CE1-CG1 3.9Å; F111-I139 HydrophobicContact CG-CD1 4.31Å; F111-I139 HydrophobicContact CZ-CD1 4.22Å; F111-I139 HydrophobicContact CZ-CG1 4.42Å; W118-I139 HydrophobicContact CH2-CG2 3.78Å; W118-I139 HydrophobicContact CZ2-CG2 4.14Å; V124-I139 HydrophobicContact CG1-CG2 3.95Å; P131-I139 HydrophobicContact CB-CG2 3.83Å; P131-I139 HydrophobicContact CG-CG2 4.33Å; P133-I139 HydrophobicContact CB-CG1 3.92Å
140	P	94.5	Very high	91.2	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.032	25%	0.248	C	C	.	.			trans	-44.6	135.8	168.7	-38	42.1	0	0	0	114.6	R77 D79 A121 V124 H138	R77-P140 VanDerWaalsContact NH2-CG 3.33Å; D79-P140 WeakPolarHBondContact OD1-CA 3.43Å; A121-P140 HydrophobicContact CB-CB 3.78Å; A121-P140 PolarHBondContact N-O 2.92Å; V124-P140 HydrophobicContact CG2-CB 3.59Å; V124-P140 HydrophobicContact CG2-CG 4.11Å; V124-P140 WeakPolarHBondContact CG2-O 3.36Å; H138-P140 VanDerWaalsContact O-CD 3.29Å; H138-P140 WeakPolarHBondContact O-CD 3.19Å
141	G	95.7	Very high	91.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	-177.5	172.2	0	0	0	0	0	114.4	R77 L78 V119	R77-G141 WeakPolarHBondContact CD-O 3.47Å; L78-G141 CarbonylContact C-O 3.15Å; L78-G141 PolarHBondContact N-O 2.88Å; L78-G141 CarbonylContact O-C 3.49Å; V119-G141 CarbonylContact O-C 3.42Å; V119-G141 WeakPolarHBondContact O-CA 3.2Å
142	W	97.1	Very high	91.6	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.9	-168.3	-53.9	110.6	0	0	0	110.2	V7 Y64 W75 A76 R77 W118 V119 T193	V7-W142 VanDerWaalsContact O-CZ2 3.29Å; V7-W142 WeakPolarHBondContact O-CZ2 3.34Å; Y64-W142 HydrophobicContact CD1-CD2 4.22Å; Y64-W142 HydrophobicContact CD1-CG 4.16Å; Y64-W142 HydrophobicContact CG-CD2 4.38Å; Y64-W142 HydrophobicContact CG-CZ2 4.46Å; W75-W142 HydrophobicContact CB-CB 4.13Å; W75-W142 HydrophobicContact CD2-CB 4.41Å; W75-W142 HydrophobicContact CE3-CB 3.72Å; A76-W142 WeakPolarHBondContact O-CA 3.47Å; R77-W142 HydrophobicContact CB-CE3 4.16Å; R77-W142 HydrophobicContact CB-CZ3 3.76Å; R77-W142 HydrophobicContact CG-CZ3 4.27Å; W118-W142 VanDerWaalsContact CA-O 3.3Å; W118-W142 WeakPolarHBondContact CA-O 3.31Å; V119-W142 HydrophobicContact CG2-CB 3.94Å; V119-W142 PolarHBondContact N-O 3.13Å; V119-W142 PolarHBondContact O-N 2.84Å; W142-T193 HydrophobicContact CH2-CG2 4.12Å; W142-T193 HydrophobicContact CZ2-CG2 4.17Å
143	V	97.4	Very high	91.7	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	138.9	171.4	61.3	0	0	0	0	108.7	W75 A76 L78 P115 Y152	W75-V143 CarbonylContact C-O 3.44Å; W75-V143 VanDerWaalsContact CA-O 3.25Å; W75-V143 WeakPolarHBondContact CA-O 3.36Å; W75-V143 VanDerWaalsContact CE3-C 3.41Å; A76-V143 HydrophobicContact CB-CG1 4.45Å; A76-V143 PolarHBondContact N-O 3.47Å; A76-V143 PolarHBondContact O-N 2.78Å; L78-V143 HydrophobicContact CB-CB 4.48Å; L78-V143 HydrophobicContact CB-CG1 3.93Å; L78-V143 HydrophobicContact CD2-CB 4.28Å; L78-V143 HydrophobicContact CD2-CG1 4.08Å; P115-V143 HydrophobicContact CG-CG2 4.36Å; V143-Y152 HydrophobicContact CG1-CE2 3.51Å; V143-Y152 VanDerWaalsContact CG1-CZ 3.5Å; V143-Y152 WeakPolarHBondContact CG1-OH 3.42Å
144	P	97.8	Very high	91.9	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	142.4	-179.2	28.3	-34.3	0	0	0	110.5	Y68 Y73 W75 E146	Y68-P144 HydrophobicContact CD1-CB 3.63Å; Y68-P144 HydrophobicContact CD1-CG 3.96Å; Y68-P144 HydrophobicContact CD2-CB 4.27Å; Y68-P144 HydrophobicContact CD2-CG 4.07Å; Y68-P144 HydrophobicContact CE1-CB 3.79Å; Y68-P144 HydrophobicContact CE1-CG 3.66Å; Y68-P144 HydrophobicContact CE2-CB 4.45Å; Y68-P144 HydrophobicContact CE2-CG 3.82Å; Y68-P144 HydrophobicContact CG-CB 3.86Å; Y68-P144 HydrophobicContact CG-CG 4.14Å; Y73-P144 HydrophobicContact CD1-CB 4.32Å; W75-P144 HydrophobicContact CD2-CB 4.16Å; W75-P144 HydrophobicContact CE3-CB 4.32Å; W75-P144 VanDerWaalsContact CE3-N 3.34Å; W75-P144 HydrophobicContact CH2-CB 4.49Å; W75-P144 HydrophobicContact CH2-CG 4.41Å; W75-P144 HydrophobicContact CZ2-CB 4.35Å; W75-P144 HydrophobicContact CZ3-CB 4.49Å; W75-P144 VanDerWaalsContact CZ3-CD 3.46Å; W75-P144 HydrophobicContact CZ3-CG 4.34Å; P144-E146 PolarHBondContact O-N 3.14Å
145	V	97.5	Very high	92.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.263	C	S	.	.			trans	-83.3	97	176.8	175.7	0	0	0	0	108.2	Y73 L74 A76 H155 S156 Y161	Y73-V145 WeakPolarHBondContact CE1-O 3.45Å; L74-V145 HydrophobicContact CB-CB 4.37Å; L74-V145 HydrophobicContact CB-CG2 4.39Å; L74-V145 HydrophobicContact CD2-CG2 4.29Å; L74-V145 HydrophobicContact CG-CG2 4.16Å; L74-V145 WeakPolarHBondContact O-CB 3.34Å; L74-V145 WeakPolarHBondContact O-CG2 3.17Å; L74-V145 PolarHBondContact O-N 2.83Å; A76-V145 HydrophobicContact CB-CG2 3.83Å; V145-H155 HydrophobicContact CB-CB 4.34Å; V145-H155 HydrophobicContact CG1-CB 3.66Å; V145-H155 HydrophobicContact CG2-CB 3.72Å; V145-S156 VanDerWaalsContact CG1-OG 3.24Å; V145-S156 WeakPolarHBondContact CG1-OG 3.43Å; V145-Y161 VanDerWaalsContact O-CE2 3.25Å; V145-Y161 WeakPolarHBondContact O-CE2 3.4Å; V145-Y161 PolarHBondContact O-OH 2.98Å
146	E	92.4	Very high	92.9	Very high	65 Å²	65	52.5 Å²	52.5	30%	0.304	25%	0.25	S	S	.	.			trans	-90.7	143.1	175.1	-66.5	-176.7	127.6	0	0	110.8	Y68 K69 P144 D148 N149	Y68-E146 HydrophobicContact CE1-CG 4.26Å; Y68-E146 WeakPolarHBondContact CE1-OE1 3.31Å; Y68-E146 PolarHBondContact OH-OE1 2.73Å; K69-E146 IonicContact NZ-OE1 3.95Å; K69-E146 PolarHBondContact NZ-OE1 3.37Å; P144-E146 PolarHBondContact O-N 3.14Å; E146-D148 VanDerWaalsContact C-N 3.25Å; E146-D148 PolarHBondContact O-N 3.23Å; E146-D148 VanDerWaalsContact O-N 3.15Å; E146-N149 WeakPolarHBondContact O-CB 3.07Å; E146-N149 PolarHBondContact O-N 3.44Å
147	K	83.3	Confident	93.5	Very high	169 Å²	169	49.7 Å²	49.7	74%	0.735	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-37.7	-170.9	-169	173	-176.6	171.4	0	113.5	N149	K147-N149 VanDerWaalsContact C-N 3.34Å
148	D	83.3	Confident	93.8	Very high	154 Å²	154	49.7 Å²	49.7	82%	0.824	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-1.7	-176.1	-57.4	-45.4	0	0	0	113.8	E146 K150	E146-D148 VanDerWaalsContact C-N 3.25Å; E146-D148 PolarHBondContact O-N 3.23Å; E146-D148 VanDerWaalsContact O-N 3.15Å; D148-K150 PolarHBondContact O-N 3.38Å; D148-K150 VanDerWaalsContact O-N 3.12Å
149	N	88.4	Confident	94.1	Very high	51 Å²	51	47.8 Å²	47.8	27%	0.273	23%	0.234	S	C	.	.			trans	-80.5	98.3	179	-167.9	-22.9	0	0	0	111.1	E146 K147 Q151 Y152 C153	E146-N149 WeakPolarHBondContact O-CB 3.07Å; E146-N149 PolarHBondContact O-N 3.44Å; K147-N149 VanDerWaalsContact C-N 3.34Å; N149-Q151 PolarHBondContact O-N 3.29Å; N149-Q151 VanDerWaalsContact O-N 3.08Å; N149-Q151 WeakPolarHBondContact OD1-CB 3.43Å; N149-Q151 PolarHBondContact OD1-N 2.95Å; N149-Y152 HydrophobicContact CB-CD2 4.31Å; N149-Y152 WeakPolarHBondContact ND2-CD2 3.16Å; N149-Y152 CarbonylContact O-C 3.51Å; N149-Y152 PolarHBondContact O-N 2.92Å; N149-C153 PolarHBondContact O-N 3.15Å
150	K	91.4	Very high	94	Very high	185 Å²	185	48.9 Å²	48.9	80%	0.804	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-55.9	-25.8	178	-67.5	-175.5	179	179.2	0	114.2	D148 Y152 C153	D148-K150 PolarHBondContact O-N 3.38Å; D148-K150 VanDerWaalsContact O-N 3.12Å; K150-Y152 PolarHBondContact O-N 3.37Å; K150-C153 PolarHBondContact O-SG 3.38Å
151	Q	93.1	Very high	93.9	Very high	117 Å²	117	50.6 Å²	50.6	55%	0.547	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-64.8	-30.1	176.7	-174.9	-179.8	-20.3	0	0	112	N149	N149-Q151 PolarHBondContact O-N 3.29Å; N149-Q151 VanDerWaalsContact O-N 3.08Å; N149-Q151 WeakPolarHBondContact OD1-CB 3.43Å; N149-Q151 PolarHBondContact OD1-N 2.95Å
152	Y	95.8	Very high	93.7	Very high	10 Å²	10	56.4 Å²	56.4	4%	0.039	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-115.1	23.6	-174.6	-57.7	-61.1	0	0	0	112.5	A76 V143 N149 K150 W154 H155 S156	A76-Y152 HydrophobicContact CB-CD1 3.34Å; A76-Y152 HydrophobicContact CB-CD2 4.5Å; A76-Y152 HydrophobicContact CB-CE1 3.25Å; A76-Y152 HydrophobicContact CB-CE2 4.45Å; A76-Y152 HydrophobicContact CB-CG 4Å; V143-Y152 HydrophobicContact CG1-CE2 3.51Å; V143-Y152 VanDerWaalsContact CG1-CZ 3.5Å; V143-Y152 WeakPolarHBondContact CG1-OH 3.42Å; N149-Y152 HydrophobicContact CB-CD2 4.31Å; N149-Y152 WeakPolarHBondContact ND2-CD2 3.16Å; N149-Y152 CarbonylContact O-C 3.51Å; N149-Y152 PolarHBondContact O-N 2.92Å; K150-Y152 PolarHBondContact O-N 3.37Å; Y152-W154 PolarHBondContact O-N 2.93Å; Y152-W154 VanDerWaalsContact O-N 3.14Å; Y152-H155 AromaticContact CD1-CE1 3.98Å; Y152-H155 WeakPolarHBondContact O-CA 3.35Å; Y152-H155 WeakPolarHBondContact O-CB 3.31Å; Y152-H155 PolarHBondContact O-N 3.39Å; Y152-S156 PolarHBondContact O-N 3.22Å; Y152-S156 PolarHBondContact O-OG 3Å
153	C	94.7	Very high	93.4	Very high	57 Å²	57	57.9 Å²	57.9	39%	0.385	29%	0.289	S	S	.	.	H	α-helix	trans	-55.7	-34.9	-176.1	60.4	0	0	0	0	114	N149 K150 S156 S157	N149-C153 PolarHBondContact O-N 3.15Å; K150-C153 PolarHBondContact O-SG 3.38Å; C153-S156 PolarHBondContact O-N 3.18Å; C153-S157 PolarHBondContact O-N 3.14Å; C153-S157 VanDerWaalsContact O-N 3.09Å
154	W	96.2	Very high	93.2	Very high	103 Å²	103	59.1 Å²	59.1	39%	0.39	30%	0.303	S	S	.	.	H	α-helix	trans	-76.1	-22.2	175.5	-43.9	-55.4	0	0	0	113.7	Y152 S157 L196 N200 H216	Y152-W154 PolarHBondContact O-N 2.93Å; Y152-W154 VanDerWaalsContact O-N 3.14Å; W154-S157 PolarHBondContact O-OG 2.81Å; W154-L196 HydrophobicContact CB-CD2 4.16Å; W154-N200 HydrophobicContact CD2-CB 4.03Å; W154-N200 HydrophobicContact CG-CB 4.18Å; W154-N200 HydrophobicContact CZ2-CB 3.99Å; W154-H216 AromaticContact CD1-CE1 3.79Å; W154-H216 AromaticContact CD1-NE2 3.74Å; W154-H216 AromaticContact CG-NE2 3.91Å
155	H	97.8	Very high	93.1	Very high	7 Å²	7	59.6 Å²	59.6	3%	0.032	31%	0.306	C	S	.	.	H	α-helix	trans	-77.4	-39.8	171.1	-59	61.6	0	0	0	109.1	T61 C63 L74 V145 Y152 S157 V158 L196	T61-H155 VanDerWaalsContact CG2-CE1 3.47Å; T61-H155 WeakPolarHBondContact CG2-CE1 3.31Å; T61-H155 WeakPolarHBondContact CG2-NE2 3.38Å; C63-H155 PolarHBondContact SG-CD2 3.12Å; L74-H155 HydrophobicContact CD2-CB 3.94Å; V145-H155 HydrophobicContact CB-CB 4.34Å; V145-H155 HydrophobicContact CG1-CB 3.66Å; V145-H155 HydrophobicContact CG2-CB 3.72Å; Y152-H155 AromaticContact CD1-CE1 3.98Å; Y152-H155 WeakPolarHBondContact O-CA 3.35Å; Y152-H155 WeakPolarHBondContact O-CB 3.31Å; Y152-H155 PolarHBondContact O-N 3.39Å; H155-S157 PolarHBondContact O-N 3.01Å; H155-V158 WeakPolarHBondContact O-CG2 3.48Å; H155-V158 PolarHBondContact O-N 3.31Å; H155-L196 HydrophobicContact CB-CD2 4.3Å
156	S	95.9	Very high	93.1	Very high	23 Å²	23	59.6 Å²	59.6	16%	0.161	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-26.8	175.6	-54.7	0	0	0	0	112.6	V145 Y152 C153 V158	V145-S156 VanDerWaalsContact CG1-OG 3.24Å; V145-S156 WeakPolarHBondContact CG1-OG 3.43Å; Y152-S156 PolarHBondContact O-N 3.22Å; Y152-S156 PolarHBondContact O-OG 3Å; C153-S156 PolarHBondContact O-N 3.18Å; S156-V158 VanDerWaalsContact C-N 3.26Å; S156-V158 PolarHBondContact O-N 2.87Å
157	S	95.1	Very high	93.3	Very high	37 Å²	37	56.5 Å²	56.5	26%	0.259	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-10.8	-179.8	64.6	0	0	0	0	114.6	C153 W154 H155	C153-S157 PolarHBondContact O-N 3.14Å; C153-S157 VanDerWaalsContact O-N 3.09Å; W154-S157 PolarHBondContact O-OG 2.81Å; H155-S157 PolarHBondContact O-N 3.01Å
158	V	96.9	Very high	94	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	8.4	-179.6	-59.4	0	0	0	0	113.2	L74 H155 S156 A166 L167 L196 H216 L218	L74-V158 HydrophobicContact CD2-CG2 4.22Å; H155-V158 WeakPolarHBondContact O-CG2 3.48Å; H155-V158 PolarHBondContact O-N 3.31Å; S156-V158 VanDerWaalsContact C-N 3.26Å; S156-V158 PolarHBondContact O-N 2.87Å; V158-A166 CarbonylContact O-C 3.59Å; V158-A166 WeakPolarHBondContact O-CA 3.48Å; V158-L167 HydrophobicContact CB-CB 4.34Å; V158-L167 PolarHBondContact O-N 2.78Å; V158-L196 HydrophobicContact CB-CD1 4.36Å; V158-L196 HydrophobicContact CG1-CD1 3.74Å; V158-L196 HydrophobicContact CG2-CD1 3.69Å; V158-H216 VanDerWaalsContact CG1-C 3.4Å; V158-H216 HydrophobicContact CG1-CB 3.47Å; V158-H216 VanDerWaalsContact CG1-CB 3.47Å; V158-H216 VanDerWaalsContact CG1-O 3.25Å; V158-H216 WeakPolarHBondContact CG1-O 3.47Å; V158-L218 HydrophobicContact CB-CG 4.43Å; V158-L218 HydrophobicContact CG2-CD1 4.18Å; V158-L218 HydrophobicContact CG2-CD2 3.97Å; V158-L218 HydrophobicContact CG2-CG 3.79Å
159	V	96.1	Very high	94.7	Very high	13 Å²	13	41.3 Å²	41.3	8%	0.079	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141	178.2	-66.4	0	0	0	0	111	L74 Y161 V165 A166 L186	L74-V159 HydrophobicContact CB-CG1 3.91Å; L74-V159 HydrophobicContact CD2-CG1 3.83Å; L74-V159 HydrophobicContact CG-CG1 4.42Å; V159-Y161 HydrophobicContact CB-CE1 4.21Å; V159-Y161 HydrophobicContact CG2-CD2 4.39Å; V159-Y161 HydrophobicContact CG2-CE1 4.05Å; V159-Y161 HydrophobicContact CG2-CE2 3.79Å; V159-V165 WeakPolarHBondContact CA-O 3.34Å; V159-A166 HydrophobicContact CG1-CB 4.01Å; V159-L186 HydrophobicContact CG1-CD2 4.2Å
160	D	93.3	Very high	95.1	Very high	22 Å²	22	42.2 Å²	42.2	12%	0.118	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	103	166.6	-177.1	-19.1	0	0	0	107	D162 A163 G164 V165 Y296 F304	D160-D162 VanDerWaalsContact C-N 3.33Å; D160-D162 WeakPolarHBondContact OD1-CB 3.32Å; D160-D162 PolarHBondContact OD1-N 3.48Å; D160-A163 HydrophobicContact CB-CB 4.22Å; D160-A163 PolarHBondContact OD1-N 3.26Å; D160-G164 WeakPolarHBondContact O-CA 3.37Å; D160-G164 PolarHBondContact O-N 3.44Å; D160-V165 HydrophobicContact CB-CG2 3.96Å; D160-V165 PolarHBondContact N-O 2.82Å; D160-V165 PolarHBondContact O-N 2.92Å; D160-Y296 PolarHBondContact OD2-OH 3.33Å; D160-F304 HydrophobicContact CB-CE1 4.3Å; D160-F304 HydrophobicContact CB-CE2 4.24Å; D160-F304 HydrophobicContact CB-CZ 4.01Å
161	Y	93.2	Very high	95.3	Very high	41 Å²	41	34.7 Å²	34.7	16%	0.161	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-24.6	-178.7	-65.6	-54.8	0	0	0	113.1	Y73 L74 V145 V159 G164 L186	Y73-Y161 HydrophobicContact CD1-CD1 4.38Å; Y73-Y161 AromaticContact CD1-CE1 3.65Å; Y73-Y161 HydrophobicContact CD1-CE1 3.65Å; Y73-Y161 HydrophobicContact CD1-CE2 4.01Å; Y73-Y161 AromaticContact CD1-CZ 3.39Å; Y73-Y161 VanDerWaalsContact CD1-OH 3.28Å; Y73-Y161 WeakPolarHBondContact CD1-OH 2.94Å; Y73-Y161 HydrophobicContact CD2-CD1 4.23Å; Y73-Y161 HydrophobicContact CD2-CE1 4.14Å; Y73-Y161 HydrophobicContact CE1-CD1 4.23Å; Y73-Y161 AromaticContact CE1-CD2 3.94Å; Y73-Y161 HydrophobicContact CE1-CD2 3.94Å; Y73-Y161 AromaticContact CE1-CE1 3.79Å; Y73-Y161 HydrophobicContact CE1-CE1 3.79Å; Y73-Y161 AromaticContact CE1-CE2 3.43Å; Y73-Y161 HydrophobicContact CE1-CE2 3.43Å; Y73-Y161 VanDerWaalsContact CE1-CE2 3.43Å; Y73-Y161 HydrophobicContact CE1-CG 4.3Å; Y73-Y161 AromaticContact CE1-CZ 3.34Å; Y73-Y161 HydrophobicContact CE2-CD1 4.07Å; Y73-Y161 HydrophobicContact CE2-CE1 4.27Å; Y73-Y161 HydrophobicContact CE2-CG 4.27Å; Y73-Y161 HydrophobicContact CG-CD1 4.38Å; Y73-Y161 AromaticContact CG-CE1 3.82Å; Y73-Y161 HydrophobicContact CG-CE1 3.82Å; Y73-Y161 AromaticContact CZ-CD2 3.88Å; Y73-Y161 AromaticContact CZ-CE2 3.88Å; Y73-Y161 AromaticContact CZ-CG 3.95Å; Y73-Y161 AromaticContact CZ-CZ 3.98Å; L74-Y161 PolarHBondContact N-OH 2.82Å; V145-Y161 VanDerWaalsContact O-CE2 3.25Å; V145-Y161 WeakPolarHBondContact O-CE2 3.4Å; V145-Y161 PolarHBondContact O-OH 2.98Å; V159-Y161 HydrophobicContact CB-CE1 4.21Å; V159-Y161 HydrophobicContact CG2-CD2 4.39Å; V159-Y161 HydrophobicContact CG2-CE1 4.05Å; V159-Y161 HydrophobicContact CG2-CE2 3.79Å; Y161-G164 PolarHBondContact O-N 2.87Å; Y161-L186 HydrophobicContact CD1-CD1 3.73Å; Y161-L186 HydrophobicContact CE1-CD1 3.84Å
162	D	90.5	Very high	95.3	Very high	123 Å²	123	29.6 Å²	29.6	66%	0.658	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-42.6	176.4	-66.3	-16.7	0	0	0	109.7	D160 R294	D160-D162 VanDerWaalsContact C-N 3.33Å; D160-D162 WeakPolarHBondContact OD1-CB 3.32Å; D160-D162 PolarHBondContact OD1-N 3.48Å; D162-R294 IonicContact OD2-CZ 3.54Å; D162-R294 IonicContact OD2-NH1 3.15Å; D162-R294 PolarHBondContact OD2-NH1 3.43Å
163	A	90.5	Very high	94.9	Very high	33 Å²	33	34 Å²	34	27%	0.273	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-12.9	175.3	0	0	0	0	0	113.2	D160 V165 I293	D160-A163 HydrophobicContact CB-CB 4.22Å; D160-A163 PolarHBondContact OD1-N 3.26Å; A163-V165 HydrophobicContact CB-CG2 3.71Å; A163-I293 HydrophobicContact CB-CG2 4.05Å
164	G	93.6	Very high	94.7	Very high	30 Å²	30	40.4 Å²	40.4	31%	0.309	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	33	179.4	0	0	0	0	0	114	D160 Y161 P185 L186	D160-G164 WeakPolarHBondContact O-CA 3.37Å; D160-G164 PolarHBondContact O-N 3.44Å; Y161-G164 PolarHBondContact O-N 2.87Å; G164-P185 CarbonylContact O-C 3.52Å; G164-P185 WeakPolarHBondContact O-CA 3.45Å; G164-L186 PolarHBondContact O-N 3.28Å
165	V	95.6	Very high	94.4	Very high	12 Å²	12	38.9 Å²	38.9	7%	0.073	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	160.5	-170.7	-67	0	0	0	0	112.5	V159 D160 A163 M183 V184 F304	V159-V165 WeakPolarHBondContact CA-O 3.34Å; D160-V165 HydrophobicContact CB-CG2 3.96Å; D160-V165 PolarHBondContact N-O 2.82Å; D160-V165 PolarHBondContact O-N 2.92Å; A163-V165 HydrophobicContact CB-CG2 3.71Å; V165-M183 HydrophobicContact CB-CE 4.23Å; V165-M183 HydrophobicContact CG1-CE 4.42Å; V165-M183 HydrophobicContact CG2-CE 3.54Å; V165-V184 CarbonylContact C-O 3.6Å; V165-V184 VanDerWaalsContact CA-O 3.32Å; V165-V184 WeakPolarHBondContact CA-O 3.28Å; V165-F304 HydrophobicContact CG2-CE1 4.04Å
166	A	97.1	Very high	93.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.9	174.8	0	0	0	0	0	112.1	V158 V159 M183 V184 L186 L189 L218	V158-A166 CarbonylContact O-C 3.59Å; V158-A166 WeakPolarHBondContact O-CA 3.48Å; V159-A166 HydrophobicContact CG1-CB 4.01Å; A166-M183 WeakPolarHBondContact O-CA 3.26Å; A166-V184 PolarHBondContact N-O 2.9Å; A166-V184 PolarHBondContact O-N 2.86Å; A166-L186 HydrophobicContact CB-CD2 3.88Å; A166-L186 HydrophobicContact CB-CG 4.3Å; A166-L189 HydrophobicContact CB-CD1 4.1Å; A166-L218 HydrophobicContact CB-CD1 3.92Å
167	L	97.9	Very high	93.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	116.5	171	-69.7	171	0	0	0	110	V158 M183 L218 V289 L303 F304 L307	V158-L167 HydrophobicContact CB-CB 4.34Å; V158-L167 PolarHBondContact O-N 2.78Å; L167-M183 HydrophobicContact CD2-CG 4.18Å; L167-L218 PolarHBondContact O-N 2.78Å; L167-V289 HydrophobicContact CD2-CG1 4.39Å; L167-V289 HydrophobicContact CD2-CG2 3.91Å; L167-L303 HydrophobicContact CD1-CB 4.29Å; L167-L303 HydrophobicContact CD1-CD2 3.76Å; L167-L303 HydrophobicContact CD1-CG 3.73Å; L167-F304 HydrophobicContact CD1-CD1 4.31Å; L167-F304 HydrophobicContact CD1-CD2 3.9Å; L167-F304 HydrophobicContact CD1-CE1 4.28Å; L167-F304 HydrophobicContact CD1-CE2 3.86Å; L167-F304 HydrophobicContact CD1-CG 4.14Å; L167-F304 HydrophobicContact CD1-CZ 4.07Å; L167-F304 HydrophobicContact CD2-CD1 3.85Å; L167-F304 HydrophobicContact CD2-CE1 3.81Å; L167-F304 HydrophobicContact CD2-CG 4.41Å; L167-F304 HydrophobicContact CD2-CZ 4.34Å; L167-F304 HydrophobicContact CG-CD1 3.95Å; L167-F304 HydrophobicContact CG-CD2 4.27Å; L167-F304 HydrophobicContact CG-CE1 3.59Å; L167-F304 HydrophobicContact CG-CE2 3.93Å; L167-F304 HydrophobicContact CG-CG 4.28Å; L167-F304 HydrophobicContact CG-CZ 3.6Å; L167-L307 HydrophobicContact CD1-CD1 3.77Å; L167-L307 HydrophobicContact CD2-CD1 3.92Å; L167-L307 HydrophobicContact CG-CD1 4.42Å
168	V	98.2	Very high	93.6	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.9	-176.6	178.1	0	0	0	0	110.2	R170 I181 T182 V184 L189 L218	V168-R170 HydrophobicContact CG1-CB 4.31Å; V168-I181 CarbonylContact O-C 3.59Å; V168-I181 WeakPolarHBondContact O-CA 3.49Å; V168-T182 PolarHBondContact N-O 2.92Å; V168-T182 PolarHBondContact O-N 2.78Å; V168-V184 HydrophobicContact CB-CB 4.49Å; V168-V184 HydrophobicContact CB-CG2 3.82Å; V168-V184 HydrophobicContact CG1-CG2 4.42Å; V168-V184 HydrophobicContact CG2-CB 3.9Å; V168-V184 HydrophobicContact CG2-CG2 3.78Å; V168-L189 HydrophobicContact CG2-CD1 3.96Å; V168-L218 CarbonylContact C-O 3.2Å; V168-L218 VanDerWaalsContact CA-O 3.23Å; V168-L218 WeakPolarHBondContact CA-O 3.21Å; V168-L218 HydrophobicContact CG2-CB 4.39Å
169	L	98.2	Very high	93.7	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.4	163.7	174.4	77.7	0	0	0	108.6	L179 E180 I181 I197 V217 L218 V219 L280 V285 L318	L169-L179 HydrophobicContact CD1-CB 3.9Å; L169-L179 HydrophobicContact CD1-CD1 4.22Å; L169-E180 WeakPolarHBondContact CA-O 3.16Å; L169-I181 HydrophobicContact CB-CG1 4.41Å; L169-I181 HydrophobicContact CD1-CD1 4.49Å; L169-I181 HydrophobicContact CD1-CG1 3.64Å; L169-I197 HydrophobicContact CD2-CD1 4.09Å; L169-V217 HydrophobicContact CB-CB 4.02Å; L169-V217 HydrophobicContact CB-CG2 3.66Å; L169-V217 HydrophobicContact CD2-CG2 4.21Å; L169-L218 PolarHBondContact N-O 3Å; L169-V219 HydrophobicContact CB-CG2 3.98Å; L169-V219 HydrophobicContact CD2-CG2 4.03Å; L169-V219 HydrophobicContact CG-CG2 4.36Å; L169-L280 HydrophobicContact CD2-CD1 4.46Å; L169-L280 HydrophobicContact CD2-CD2 4.33Å; L169-V285 HydrophobicContact CD1-CG2 4.25Å; L169-L318 HydrophobicContact CD1-CD1 3.97Å; L169-L318 HydrophobicContact CD2-CD1 4.22Å; L169-L318 HydrophobicContact CD2-CD2 3.84Å
170	R	96.1	Very high	93.7	Very high	70 Å²	70	45.3 Å²	45.3	26%	0.264	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	162.3	178.7	62.4	-176.7	-172.3	-169.1	-0.2	111.3	V168 L179 E180	V168-R170 HydrophobicContact CG1-CB 4.31Å; R170-L179 CarbonylContact O-C 3.52Å; R170-L179 WeakPolarHBondContact O-CA 3.44Å; R170-E180 HydrophobicContact CG-CG 3.72Å; R170-E180 IonicContact CZ-OE1 2.89Å; R170-E180 PolarHBondContact N-O 2.96Å; R170-E180 IonicContact NE-OE1 3.16Å; R170-E180 PolarHBondContact NE-OE1 2.89Å; R170-E180 IonicContact NH2-OE1 3.07Å; R170-E180 PolarHBondContact NH2-OE1 3.29Å; R170-E180 PolarHBondContact O-N 3.17Å
171	P	95.4	Very high	93.9	Very high	26 Å²	26	44.2 Å²	44.2	17%	0.169	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	142.8	165.1	-20.5	33.5	0	0	0	110.8	S223	P171-S223 VanDerWaalsContact CG-O 3.26Å; P171-S223 WeakPolarHBondContact CG-O 3.36Å
172	S	93.6	Very high	94.1	Very high	11 Å²	11	43.1 Å²	43.1	8%	0.077	25%	0.245	C	C	.	.			trans	-67.7	142.4	176.7	-176.9	0	0	0	0	110.5	E174 N175 L178 E180	S172-E174 PolarHBondContact O-N 2.88Å; S172-N175 WeakPolarHBondContact CB-O 3.48Å; S172-N175 CarbonylContact O-C 3.42Å; S172-N175 PolarHBondContact O-N 2.81Å; S172-L178 WeakPolarHBondContact CB-O 3.17Å; S172-L178 PolarHBondContact N-O 3.18Å; S172-E180 PolarHBondContact OG-OE2 3.32Å
173	A	88.1	Confident	94.4	Very high	103 Å²	103	38.4 Å²	38.4	85%	0.851	22%	0.219	S	C	*	.	S	Bend	trans	-64.8	-26.7	178.4	0	0	0	0	0	113
174	E	89.1	Confident	94.6	Very high	190 Å²	190	37.2 Å²	37.2	89%	0.888	21%	0.208	S	C	*	.	S	Bend	trans	-87.1	-29.4	-179.4	-60.3	-175.6	173	0	0	112.5	S172	S172-E174 PolarHBondContact O-N 2.88Å
175	N	90.6	Very high	94.7	Very high	71 Å²	71	38.5 Å²	38.5	38%	0.38	21%	0.212	S	C	.	.			trans	-151.4	109.6	-177.2	-179	0.4	0	0	0	111	S172 D177 L178	S172-N175 WeakPolarHBondContact CB-O 3.48Å; S172-N175 CarbonylContact O-C 3.42Å; S172-N175 PolarHBondContact O-N 2.81Å; N175-D177 PolarHBondContact O-N 3.33Å; N175-D177 VanDerWaalsContact O-N 3.15Å; N175-D177 WeakPolarHBondContact OD1-CB 3.25Å; N175-D177 PolarHBondContact OD1-N 2.84Å; N175-L178 HydrophobicContact CB-CB 4.17Å; N175-L178 WeakPolarHBondContact O-CB 3.31Å; N175-L178 PolarHBondContact O-N 2.8Å; N175-L178 VanDerWaalsContact O-O 3.12Å
176	E	86.3	Confident	94.8	Very high	100 Å²	100	38 Å²	38	47%	0.467	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.1	179.8	-65.6	-172.1	165.3	0	0	114.3	L178	E176-L178 VanDerWaalsContact C-N 3.31Å
177	D	90.9	Very high	94.7	Very high	76 Å²	76	40.6 Å²	40.6	41%	0.406	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.9	173.6	-68.5	-59.2	0	0	0	113	N175 R227 P284	N175-D177 PolarHBondContact O-N 3.33Å; N175-D177 VanDerWaalsContact O-N 3.15Å; N175-D177 WeakPolarHBondContact OD1-CB 3.25Å; N175-D177 PolarHBondContact OD1-N 2.84Å; D177-R227 VanDerWaalsContact CG-NH1 3.31Å; D177-R227 IonicContact OD1-CZ 3.17Å; D177-R227 IonicContact OD1-NH1 3.92Å; D177-R227 PolarHBondContact OD1-NH1 3.36Å; D177-R227 IonicContact OD1-NH2 3.57Å; D177-R227 PolarHBondContact OD1-NH2 3.47Å; D177-R227 IonicContact OD2-CZ 2.96Å; D177-R227 IonicContact OD2-NH1 3.77Å; D177-R227 PolarHBondContact OD2-NH1 3.33Å; D177-R227 IonicContact OD2-NH2 2.75Å; D177-R227 PolarHBondContact OD2-NH2 3.29Å; D177-P284 WeakPolarHBondContact O-CD 3.38Å
178	L	95.6	Very high	94.6	Very high	22 Å²	22	45.7 Å²	45.7	12%	0.115	26%	0.257	C	S	.	.	S	Bend	trans	-98.5	130.7	173.2	-179.7	67.1	0	0	0	109.3	S172 N175 E176 P284 V286	S172-L178 WeakPolarHBondContact CB-O 3.17Å; S172-L178 PolarHBondContact N-O 3.18Å; N175-L178 HydrophobicContact CB-CB 4.17Å; N175-L178 WeakPolarHBondContact O-CB 3.31Å; N175-L178 PolarHBondContact O-N 2.8Å; N175-L178 VanDerWaalsContact O-O 3.12Å; E176-L178 VanDerWaalsContact C-N 3.31Å; L178-P284 HydrophobicContact CD1-CB 3.92Å; L178-P284 HydrophobicContact CD1-CG 4.01Å; L178-V286 HydrophobicContact CD2-CG1 4.05Å; L178-V286 HydrophobicContact CG-CG1 4.33Å
179	L	97.3	Very high	94.5	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	152.6	168.2	-63.3	176	0	0	0	110.4	L169 R170 L280 R283 P284 V285 V286	L169-L179 HydrophobicContact CD1-CB 3.9Å; L169-L179 HydrophobicContact CD1-CD1 4.22Å; R170-L179 CarbonylContact O-C 3.52Å; R170-L179 WeakPolarHBondContact O-CA 3.44Å; L179-L280 HydrophobicContact CD1-CD1 3.82Å; L179-L280 HydrophobicContact CD1-CG 4.28Å; L179-L280 WeakPolarHBondContact CD1-O 3.34Å; L179-L280 HydrophobicContact CD2-CD1 4.27Å; L179-R283 HydrophobicContact CD1-CB 3.81Å; L179-R283 HydrophobicContact CG-CB 3.88Å; L179-P284 PolarHBondContact N-O 3.37Å; L179-V285 HydrophobicContact CB-CB 4.14Å; L179-V285 HydrophobicContact CB-CG2 4.07Å; L179-V285 CarbonylContact O-C 3.48Å; L179-V285 VanDerWaalsContact O-CA 3.24Å; L179-V285 WeakPolarHBondContact O-CA 3.24Å; L179-V286 PolarHBondContact O-N 2.89Å
180	E	97.3	Very high	94.4	Very high	17 Å²	17	48 Å²	48	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.9	169.5	63.8	-176.8	-145.4	0	0	110.7	L169 R170 S172 T182 V286	L169-E180 WeakPolarHBondContact CA-O 3.16Å; R170-E180 HydrophobicContact CG-CG 3.72Å; R170-E180 IonicContact CZ-OE1 2.89Å; R170-E180 PolarHBondContact N-O 2.96Å; R170-E180 IonicContact NE-OE1 3.16Å; R170-E180 PolarHBondContact NE-OE1 2.89Å; R170-E180 IonicContact NH2-OE1 3.07Å; R170-E180 PolarHBondContact NH2-OE1 3.29Å; R170-E180 PolarHBondContact O-N 3.17Å; S172-E180 PolarHBondContact OG-OE2 3.32Å; E180-T182 HydrophobicContact CG-CG2 4.46Å; E180-V286 VanDerWaalsContact CA-O 3.28Å; E180-V286 WeakPolarHBondContact CA-O 3.25Å; E180-V286 HydrophobicContact CB-CG1 3.84Å
181	I	97.9	Very high	94.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.8	163.2	-63.4	177.5	0	0	0	107	V168 L169 V217 V285 V286 H288 V289 L307 L318 I321	V168-I181 CarbonylContact O-C 3.59Å; V168-I181 WeakPolarHBondContact O-CA 3.49Å; L169-I181 HydrophobicContact CB-CG1 4.41Å; L169-I181 HydrophobicContact CD1-CD1 4.49Å; L169-I181 HydrophobicContact CD1-CG1 3.64Å; I181-V217 HydrophobicContact CD1-CG1 4.2Å; I181-V217 HydrophobicContact CG1-CG1 4.34Å; I181-V217 HydrophobicContact CG2-CG1 4.01Å; I181-V285 HydrophobicContact CD1-CG2 4.37Å; I181-V285 HydrophobicContact CG1-CG2 4.03Å; I181-V286 PolarHBondContact N-O 3.32Å; I181-H288 PolarHBondContact O-N 3Å; I181-V289 HydrophobicContact CG2-CG2 4.4Å; I181-L307 HydrophobicContact CG2-CD1 3.99Å; I181-L318 HydrophobicContact CD1-CD1 4.2Å; I181-I321 HydrophobicContact CD1-CD1 3.4Å
182	T	96.7	Very high	94.1	Very high	18 Å²	18	49.4 Å²	49.4	11%	0.11	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	166.7	-175.6	-166.6	0	0	0	0	113	V168 E180 V184 H288	V168-T182 PolarHBondContact N-O 2.92Å; V168-T182 PolarHBondContact O-N 2.78Å; E180-T182 HydrophobicContact CG-CG2 4.46Å; T182-V184 HydrophobicContact CG2-CG2 3.98Å; T182-H288 VanDerWaalsContact CA-O 3.24Å; T182-H288 WeakPolarHBondContact CA-O 3.23Å; T182-H288 WeakPolarHBondContact CB-O 3.48Å; T182-H288 PolarHBondContact OG1-O 2.83Å
183	M	95.8	Very high	94.1	Very high	23 Å²	23	49 Å²	49	11%	0.113	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126.8	172.5	-65.2	171.4	65.6	0	0	109.6	V165 A166 L167 V289 I293 F304	V165-M183 HydrophobicContact CB-CE 4.23Å; V165-M183 HydrophobicContact CG1-CE 4.42Å; V165-M183 HydrophobicContact CG2-CE 3.54Å; A166-M183 WeakPolarHBondContact O-CA 3.26Å; L167-M183 HydrophobicContact CD2-CG 4.18Å; M183-V289 HydrophobicContact CG-CB 4.48Å; M183-V289 HydrophobicContact CG-CG1 3.94Å; M183-V289 HydrophobicContact CG-CG2 4.43Å; M183-V289 HydrophobicContact SD-CB 4.5Å; M183-V289 HydrophobicContact SD-CG1 3.64Å; M183-I293 HydrophobicContact CE-CB 4.28Å; M183-I293 HydrophobicContact CE-CD1 3.5Å; M183-I293 VanDerWaalsContact CE-CD1 3.5Å; M183-I293 HydrophobicContact CE-CG1 4.44Å; M183-I293 HydrophobicContact CE-CG2 4.28Å; M183-I293 HydrophobicContact SD-CD1 3.99Å; M183-F304 HydrophobicContact CE-CD1 4.13Å; M183-F304 HydrophobicContact CE-CE1 4.23Å; M183-F304 HydrophobicContact CG-CD1 4.28Å; M183-F304 HydrophobicContact CG-CE1 4.23Å; M183-F304 HydrophobicContact SD-CD1 4.28Å
184	V	95.6	Very high	94.5	Very high	8 Å²	8	44.1 Å²	44.1	5%	0.048	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.9	177.4	-178.9	0	0	0	0	109.1	V165 A166 V168 T182 L186 D188 L189	V165-V184 CarbonylContact C-O 3.6Å; V165-V184 VanDerWaalsContact CA-O 3.32Å; V165-V184 WeakPolarHBondContact CA-O 3.28Å; A166-V184 PolarHBondContact N-O 2.9Å; A166-V184 PolarHBondContact O-N 2.86Å; V168-V184 HydrophobicContact CB-CB 4.49Å; V168-V184 HydrophobicContact CB-CG2 3.82Å; V168-V184 HydrophobicContact CG1-CG2 4.42Å; V168-V184 HydrophobicContact CG2-CB 3.9Å; V168-V184 HydrophobicContact CG2-CG2 3.78Å; T182-V184 HydrophobicContact CG2-CG2 3.98Å; V184-L186 PolarHBondContact O-N 3.3Å; V184-D188 HydrophobicContact CG1-CB 4.11Å; V184-L189 HydrophobicContact CG1-CD1 4.39Å; V184-L189 HydrophobicContact CG1-CD2 4Å; V184-L189 HydrophobicContact CG1-CG 3.99Å
185	P	96.4	Very high	94.9	Very high	58 Å²	58	36.3 Å²	36.3	38%	0.377	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	130.5	171.1	-25.6	34.7	0	0	0	111.3	G164 A187 D188	G164-P185 CarbonylContact O-C 3.52Å; G164-P185 WeakPolarHBondContact O-CA 3.45Å; P185-A187 PolarHBondContact O-N 3.16Å; P185-A187 VanDerWaalsContact O-N 3.16Å; P185-D188 WeakPolarHBondContact O-CB 3.44Å; P185-D188 PolarHBondContact O-N 3.5Å
186	L	96.4	Very high	95.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-58.2	-30.1	176.3	-80.7	166.7	0	0	0	111.6	V65 V159 Y161 G164 A166 V184 D188 L189 L190	V65-L186 HydrophobicContact CG1-CD2 4.19Å; V65-L186 WeakPolarHBondContact CG1-O 3.29Å; V65-L186 HydrophobicContact CG2-CD2 4.15Å; V159-L186 HydrophobicContact CG1-CD2 4.2Å; Y161-L186 HydrophobicContact CD1-CD1 3.73Å; Y161-L186 HydrophobicContact CE1-CD1 3.84Å; G164-L186 PolarHBondContact O-N 3.28Å; A166-L186 HydrophobicContact CB-CD2 3.88Å; A166-L186 HydrophobicContact CB-CG 4.3Å; V184-L186 PolarHBondContact O-N 3.3Å; L186-D188 VanDerWaalsContact C-N 3.27Å; L186-D188 PolarHBondContact O-N 2.85Å; L186-L189 PolarHBondContact O-N 3.37Å; L186-L189 VanDerWaalsContact O-N 3.15Å; L186-L190 PolarHBondContact O-N 2.85Å
187	A	96.6	Very high	95.9	Very high	54 Å²	54	28.2 Å²	28.2	45%	0.446	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-59.4	-35.1	173.8	0	0	0	0	0	113.2	P185 L189 L190	P185-A187 PolarHBondContact O-N 3.16Å; P185-A187 VanDerWaalsContact O-N 3.16Å; A187-L189 PolarHBondContact O-N 2.77Å; A187-L190 WeakPolarHBondContact O-CB 3.25Å; A187-L190 WeakPolarHBondContact O-CD1 3.16Å; A187-L190 WeakPolarHBondContact O-CG 3.22Å; A187-L190 PolarHBondContact O-N 2.99Å
188	D	95.6	Very high	96.1	Very high	107 Å²	107	24.7 Å²	24.7	57%	0.572	14%	0.138	S	C	*	.	G	3₁₀ helix	trans	-74	-21.6	179.3	-65	-13.4	0	0	0	111.8	V184 P185 L186 Q192	V184-D188 HydrophobicContact CG1-CB 4.11Å; P185-D188 WeakPolarHBondContact O-CB 3.44Å; P185-D188 PolarHBondContact O-N 3.5Å; L186-D188 VanDerWaalsContact C-N 3.27Å; L186-D188 PolarHBondContact O-N 2.85Å; D188-Q192 PolarHBondContact O-NE2 2.98Å
189	L	95.6	Very high	96.2	Very high	9 Å²	9	24.3 Å²	24.3	5%	0.047	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-90.4	-2.4	177.3	-58.3	178.8	0	0	0	113	V65 A166 V168 V184 L186 A187 E191 Q192 L194	V65-L189 HydrophobicContact CB-CB 4.09Å; V65-L189 WeakPolarHBondContact CB-O 3.09Å; V65-L189 HydrophobicContact CG1-CB 4.15Å; V65-L189 HydrophobicContact CG2-CB 3.94Å; A166-L189 HydrophobicContact CB-CD1 4.1Å; V168-L189 HydrophobicContact CG2-CD1 3.96Å; V184-L189 HydrophobicContact CG1-CD1 4.39Å; V184-L189 HydrophobicContact CG1-CD2 4Å; V184-L189 HydrophobicContact CG1-CG 3.99Å; L186-L189 PolarHBondContact O-N 3.37Å; L186-L189 VanDerWaalsContact O-N 3.15Å; A187-L189 PolarHBondContact O-N 2.77Å; L189-E191 PolarHBondContact O-N 3.13Å; L189-Q192 WeakPolarHBondContact O-CB 3.46Å; L189-Q192 WeakPolarHBondContact O-CG 3.19Å; L189-Q192 PolarHBondContact O-N 3.3Å; L189-L194 HydrophobicContact CD1-CD2 4.11Å; L189-L194 HydrophobicContact CD2-CD2 4.3Å
190	L	95.1	Very high	96.1	Very high	43 Å²	43	27.2 Å²	27.2	23%	0.225	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	134	-178.2	-79.6	170.5	0	0	0	112.2	V65 I67 L186 A187 Q192	V65-L190 HydrophobicContact CG1-CD2 4.26Å; I67-L190 HydrophobicContact CD1-CD1 4.25Å; I67-L190 HydrophobicContact CD1-CD2 3.74Å; I67-L190 HydrophobicContact CG1-CD2 4.15Å; L186-L190 PolarHBondContact O-N 2.85Å; A187-L190 WeakPolarHBondContact O-CB 3.25Å; A187-L190 WeakPolarHBondContact O-CD1 3.16Å; A187-L190 WeakPolarHBondContact O-CG 3.22Å; A187-L190 PolarHBondContact O-N 2.99Å; L190-Q192 PolarHBondContact O-N 3.26Å
191	E	92.8	Very high	96.1	Very high	85 Å²	85	26.7 Å²	26.7	40%	0.397	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	11.5	-179.8	-53.8	-60.6	123.7	0	0	114.6	Y64 V65 S66 L189	Y64-E191 PolarHBondContact OH-OE1 3.28Å; Y64-E191 PolarHBondContact OH-OE2 3.47Å; V65-E191 WeakPolarHBondContact O-CA 3.32Å; V65-E191 PolarHBondContact O-N 2.95Å; S66-E191 WeakPolarHBondContact CB-OE1 3.26Å; S66-E191 PolarHBondContact OG-OE1 3.1Å; L189-E191 PolarHBondContact O-N 3.13Å
192	Q	93.1	Very high	95.9	Very high	40 Å²	40	30.6 Å²	30.6	19%	0.187	17%	0.171	C	C	.	.			trans	-94.3	145.6	173.9	-55.5	-172.3	40.2	0	0	111.6	Y64 V65 D188 L189 L190	Y64-Q192 WeakPolarHBondContact CA-O 3.4Å; Y64-Q192 WeakPolarHBondContact CD2-O 2.83Å; V65-Q192 PolarHBondContact N-O 2.9Å; V65-Q192 VanDerWaalsContact N-O 3.1Å; D188-Q192 PolarHBondContact O-NE2 2.98Å; L189-Q192 WeakPolarHBondContact O-CB 3.46Å; L189-Q192 WeakPolarHBondContact O-CG 3.19Å; L189-Q192 PolarHBondContact O-N 3.3Å; L190-Q192 PolarHBondContact O-N 3.26Å
193	T	94.2	Very high	95.7	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.025	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	142.1	165.6	52.1	0	0	0	0	110.7	S6 V7 C63 Y64 W142 H221	S6-T193 WeakPolarHBondContact CA-OG1 3.36Å; V7-T193 HydrophobicContact CB-CG2 4.21Å; V7-T193 PolarHBondContact N-OG1 3.06Å; C63-T193 CarbonylContact O-C 3.53Å; C63-T193 WeakPolarHBondContact O-CA 3.44Å; C63-T193 WeakPolarHBondContact O-CB 3.49Å; Y64-T193 HydrophobicContact CD2-CG2 3.96Å; W142-T193 HydrophobicContact CH2-CG2 4.12Å; W142-T193 HydrophobicContact CZ2-CG2 4.17Å; T193-H221 WeakPolarHBondContact O-CB 3.46Å; T193-H221 PolarHBondContact O-CD2 3.17Å; T193-H221 PolarHBondContact O-N 3.13Å
194	L	96.6	Very high	95.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	160.3	-177.5	-52.8	98.5	0	0	0	109.5	C62 C63 V65 L189 L218 V219 A220 H221	C62-L194 CarbonylContact C-O 3.5Å; C62-L194 WeakPolarHBondContact CA-O 3.16Å; C63-L194 HydrophobicContact CB-CB 4.39Å; C63-L194 PolarHBondContact N-O 3.11Å; C63-L194 PolarHBondContact O-N 2.95Å; V65-L194 HydrophobicContact CG2-CD1 3.73Å; L189-L194 HydrophobicContact CD1-CD2 4.11Å; L189-L194 HydrophobicContact CD2-CD2 4.3Å; L194-L218 HydrophobicContact CB-CB 4.31Å; L194-L218 HydrophobicContact CB-CD2 4.37Å; L194-L218 HydrophobicContact CD2-CB 3.78Å; L194-L218 HydrophobicContact CD2-CD1 4.22Å; L194-V219 CarbonylContact C-O 3.5Å; L194-V219 VanDerWaalsContact CA-O 3.25Å; L194-V219 WeakPolarHBondContact CA-O 3.48Å; L194-V219 WeakPolarHBondContact CB-O 3.48Å; L194-A220 HydrophobicContact CD2-CB 4.23Å; L194-H221 VanDerWaalsContact C-CD2 3.44Å
195	E	97.4	Very high	95.5	Very high	25 Å²	25	34.9 Å²	34.9	12%	0.117	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.3	160.2	-70.7	-54.9	146.3	0	0	108.6	L58 G60 T61 C62 I197 L218 V219 H221	L58-E195 HydrophobicContact CB-CB 4.33Å; L58-E195 HydrophobicContact CB-CG 4.13Å; G60-E195 WeakPolarHBondContact CA-OE2 3.44Å; T61-E195 PolarHBondContact N-OE2 3.29Å; C62-E195 PolarHBondContact N-OE2 2.86Å; E195-I197 HydrophobicContact CB-CG2 4.38Å; E195-L218 CarbonylContact O-C 3.52Å; E195-L218 WeakPolarHBondContact O-CA 3.39Å; E195-V219 PolarHBondContact N-O 3.4Å; E195-V219 PolarHBondContact O-N 2.86Å; E195-H221 VanDerWaalsContact CG-NE2 3.31Å; E195-H221 WeakPolarHBondContact CG-NE2 3.45Å; E195-H221 IonicContact OE1-CE1 2.91Å; E195-H221 PolarHBondContact OE1-CE1 2.64Å; E195-H221 IonicContact OE1-NE2 3.22Å; E195-H221 PolarHBondContact OE1-NE2 2.96Å
196	L	98.4	Very high	95.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.9	160.9	176	73.5	0	0	0	107.9	G60 T61 W154 H155 V158 V201 H216 L218	G60-L196 CarbonylContact C-O 3.43Å; G60-L196 WeakPolarHBondContact CA-O 3.3Å; T61-L196 HydrophobicContact CG2-CB 3.73Å; T61-L196 HydrophobicContact CG2-CD2 3.75Å; T61-L196 HydrophobicContact CG2-CG 4.18Å; T61-L196 PolarHBondContact N-O 2.64Å; T61-L196 PolarHBondContact O-N 2.89Å; W154-L196 HydrophobicContact CB-CD2 4.16Å; H155-L196 HydrophobicContact CB-CD2 4.3Å; V158-L196 HydrophobicContact CB-CD1 4.36Å; V158-L196 HydrophobicContact CG1-CD1 3.74Å; V158-L196 HydrophobicContact CG2-CD1 3.69Å; L196-V201 HydrophobicContact CD2-CG2 4.06Å; L196-V201 HydrophobicContact CG-CG2 4.11Å; L196-V201 WeakPolarHBondContact O-CG1 3.26Å; L196-H216 HydrophobicContact CD1-CB 4.19Å; L196-L218 HydrophobicContact CB-CD2 4.02Å; L196-L218 HydrophobicContact CD1-CD2 4.01Å
197	I	98.1	Very high	95.2	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	158.7	171.6	63.6	170.3	0	0	0	109.7	L58 L169 E195 Y206 L208 H216 V217 V219 L280	L58-I197 HydrophobicContact CB-CG2 4.48Å; L169-I197 HydrophobicContact CD2-CD1 4.09Å; E195-I197 HydrophobicContact CB-CG2 4.38Å; I197-Y206 HydrophobicContact CB-CD2 4.22Å; I197-Y206 HydrophobicContact CB-CE2 4.49Å; I197-Y206 HydrophobicContact CD1-CD2 4.33Å; I197-Y206 HydrophobicContact CG2-CD2 4.23Å; I197-Y206 HydrophobicContact CG2-CE2 3.99Å; I197-L208 HydrophobicContact CD1-CD1 4.44Å; I197-H216 VanDerWaalsContact O-CA 3.3Å; I197-H216 WeakPolarHBondContact O-CA 3.03Å; I197-V217 HydrophobicContact CD1-CG2 4.05Å; I197-V217 HydrophobicContact CG1-CG2 3.67Å; I197-V217 PolarHBondContact N-O 3.02Å; I197-V217 PolarHBondContact O-N 3.47Å; I197-V219 HydrophobicContact CD1-CG2 3.87Å; I197-V219 HydrophobicContact CG1-CG2 4.17Å; I197-L280 HydrophobicContact CD1-CD2 4.07Å
198	G	96.6	Very high	95.1	Very high	2 Å²	2	30.8 Å²	30.8	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154	-173	173.8	0	0	0	0	0	115.2	N200 V201 N204 V215	G198-N200 PolarHBondContact O-N 3.45Å; G198-V201 PolarHBondContact O-N 3.42Å; G198-N204 PolarHBondContact O-OD1 3.39Å; G198-V215 CarbonylContact C-O 3.59Å; G198-V215 WeakPolarHBondContact CA-O 3.23Å
199	T	96.5	Very high	95	Very high	14 Å²	14	26.9 Å²	26.9	9%	0.086	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-31.9	-170.8	-49.5	0	0	0	0	114.7	N204 L208 S210 P214 V215	T199-N204 WeakPolarHBondContact O-CB 3.41Å; T199-L208 WeakPolarHBondContact CA-O 3.36Å; T199-L208 WeakPolarHBondContact CB-O 3.29Å; T199-L208 PolarHBondContact OG1-O 3.17Å; T199-S210 VanDerWaalsContact CG2-C 3.5Å; T199-P214 HydrophobicContact CG2-CB 4.27Å; T199-P214 WeakPolarHBondContact OG1-CA 3.44Å; T199-V215 PolarHBondContact N-O 2.82Å; T199-V215 PolarHBondContact OG1-N 2.95Å; T199-V215 PolarHBondContact OG1-O 3.35Å
200	N	96.5	Very high	94.9	Very high	62 Å²	62	28.9 Å²	28.9	33%	0.332	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	10.2	-177	-55.5	120.2	0	0	0	113.7	W154 G198 H216	W154-N200 HydrophobicContact CD2-CB 4.03Å; W154-N200 HydrophobicContact CG-CB 4.18Å; W154-N200 HydrophobicContact CZ2-CB 3.99Å; G198-N200 PolarHBondContact O-N 3.45Å; N200-H216 PolarHBondContact N-NE2 3.41Å; N200-H216 PolarHBondContact OD1-CE1 3.36Å; N200-H216 PolarHBondContact OD1-NE2 2.95Å
201	V	96.6	Very high	94.6	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.036	22%	0.216	C	C	.	.	S	Bend	trans	-105.4	129.1	-178.8	-176.2	0	0	0	0	109.5	T61 L196 G198 G203 N204	T61-V201 HydrophobicContact CG2-CG1 4.09Å; L196-V201 HydrophobicContact CD2-CG2 4.06Å; L196-V201 HydrophobicContact CG-CG2 4.11Å; L196-V201 WeakPolarHBondContact O-CG1 3.26Å; G198-V201 PolarHBondContact O-N 3.42Å; V201-G203 PolarHBondContact O-N 2.85Å; V201-N204 PolarHBondContact O-N 2.98Å
202	N	93.1	Very high	94.4	Very high	82 Å²	82	41.5 Å²	41.5	44%	0.439	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	31	174.2	-62.3	-5.5	0	0	0	115.8	D59 G60	D59-N202 PolarHBondContact OD1-ND2 2.91Å; G60-N202 VanDerWaalsContact C-ND2 3.33Å; G60-N202 PolarHBondContact O-ND2 3.28Å
203	G	92.4	Very high	94.3	Very high	76 Å²	76	42.5 Å²	42.5	78%	0.784	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	12	180	0	0	0	0	0	115	V201	V201-G203 PolarHBondContact O-N 2.85Å
204	N	94.5	Very high	94.3	Very high	31 Å²	31	44.8 Å²	44.8	17%	0.166	26%	0.257	C	S	.	.			trans	55.3	55.1	180	-164.8	22.4	0	0	0	114.1	G198 T199 V201 Y206 G207 L208	G198-N204 PolarHBondContact O-OD1 3.39Å; T199-N204 WeakPolarHBondContact O-CB 3.41Å; V201-N204 PolarHBondContact O-N 2.98Å; N204-Y206 PolarHBondContact O-N 2.83Å; N204-G207 PolarHBondContact O-N 2.86Å; N204-G207 PolarHBondContact OD1-N 2.93Å; N204-L208 PolarHBondContact ND2-N 2.84Å; N204-L208 PolarHBondContact ND2-O 3.25Å; N204-L208 PolarHBondContact OD1-N 2.81Å
205	P	92.7	Very high	94.2	Very high	31 Å²	31	44.8 Å²	44.8	20%	0.201	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.8	-176.7	28.6	-34.8	0	0	0	113.1	D59 W273	D59-P205 HydrophobicContact CB-CG 4.01Å; P205-W273 HydrophobicContact CB-CD2 4.37Å; P205-W273 HydrophobicContact CB-CE3 4.46Å; P205-W273 HydrophobicContact CB-CH2 3.52Å; P205-W273 HydrophobicContact CB-CZ2 3.45Å; P205-W273 VanDerWaalsContact CB-CZ2 3.45Å; P205-W273 HydrophobicContact CB-CZ3 4.01Å; P205-W273 HydrophobicContact CG-CH2 3.9Å; P205-W273 HydrophobicContact CG-CZ2 4.24Å; P205-W273 HydrophobicContact CG-CZ3 4.41Å
206	Y	93.9	Very high	94.2	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-1.6	179.3	-60.7	-71	0	0	0	113.6	L58 D59 I197 N204 L208 W273 L280 N281	L58-Y206 VanDerWaalsContact CA-OH 3.23Å; L58-Y206 WeakPolarHBondContact CA-OH 3.33Å; L58-Y206 HydrophobicContact CD2-CE1 4.37Å; L58-Y206 WeakPolarHBondContact CD2-OH 3.43Å; D59-Y206 HydrophobicContact CB-CE2 4.24Å; D59-Y206 PolarHBondContact N-OH 3Å; I197-Y206 HydrophobicContact CB-CD2 4.22Å; I197-Y206 HydrophobicContact CB-CE2 4.49Å; I197-Y206 HydrophobicContact CD1-CD2 4.33Å; I197-Y206 HydrophobicContact CG2-CD2 4.23Å; I197-Y206 HydrophobicContact CG2-CE2 3.99Å; N204-Y206 PolarHBondContact O-N 2.83Å; Y206-L208 VanDerWaalsContact C-N 3.26Å; Y206-L208 HydrophobicContact CG-CD1 4.27Å; Y206-L208 PolarHBondContact O-N 2.82Å; Y206-W273 HydrophobicContact CE1-CZ2 4.4Å; Y206-L280 HydrophobicContact CD1-CB 4.44Å; Y206-L280 HydrophobicContact CD1-CD2 3.9Å; Y206-L280 HydrophobicContact CE1-CB 4.33Å; Y206-L280 HydrophobicContact CE1-CD2 3.89Å; Y206-N281 WeakPolarHBondContact CA-ND2 3.23Å; Y206-N281 VanDerWaalsContact CA-OD1 3.3Å; Y206-N281 WeakPolarHBondContact CA-OD1 3.43Å; Y206-N281 VanDerWaalsContact CB-OD1 3.28Å; Y206-N281 WeakPolarHBondContact CB-OD1 3.4Å; Y206-N281 WeakPolarHBondContact CD1-OD1 3.28Å; Y206-N281 VanDerWaalsContact O-CG 3.24Å; Y206-N281 PolarHBondContact O-ND2 2.85Å; Y206-N281 VanDerWaalsContact O-ND2 3.13Å; Y206-N281 PolarHBondContact O-OD1 2.68Å
207	G	93.1	Very high	94.2	Very high	25 Å²	25	43.9 Å²	43.9	26%	0.258	25%	0.253	S	S	.	.			trans	65.4	23.8	175.9	0	0	0	0	0	114.8	N204 G209 Q319	N204-G207 PolarHBondContact O-N 2.86Å; N204-G207 PolarHBondContact OD1-N 2.93Å; G207-G209 PolarHBondContact O-N 2.84Å; G207-Q319 WeakPolarHBondContact O-CB 3.44Å
208	L	94.3	Very high	94.3	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	25%	0.253	C	S	.	.			trans	-71.1	130.2	179.9	-77.3	84.8	0	0	0	110.2	I197 T199 N204 Y206 V215 V217 L318	I197-L208 HydrophobicContact CD1-CD1 4.44Å; T199-L208 WeakPolarHBondContact CA-O 3.36Å; T199-L208 WeakPolarHBondContact CB-O 3.29Å; T199-L208 PolarHBondContact OG1-O 3.17Å; N204-L208 PolarHBondContact ND2-N 2.84Å; N204-L208 PolarHBondContact ND2-O 3.25Å; N204-L208 PolarHBondContact OD1-N 2.81Å; Y206-L208 VanDerWaalsContact C-N 3.26Å; Y206-L208 HydrophobicContact CG-CD1 4.27Å; Y206-L208 PolarHBondContact O-N 2.82Å; L208-V215 HydrophobicContact CB-CB 4.21Å; L208-V215 HydrophobicContact CB-CG1 4.47Å; L208-V215 HydrophobicContact CD2-CG1 4.03Å; L208-V217 HydrophobicContact CD2-CG2 3.95Å; L208-L318 HydrophobicContact CD1-CD2 3.86Å; L208-L318 HydrophobicContact CD1-CG 4.35Å; L208-L318 HydrophobicContact CD2-CD2 4.32Å; L208-L318 HydrophobicContact CD2-CG 4.48Å; L208-L318 HydrophobicContact CG-CD2 4.15Å; L208-L318 HydrophobicContact CG-CG 4.17Å
209	G	93.9	Very high	94.3	Very high	26 Å²	26	43.8 Å²	43.8	27%	0.268	25%	0.253	S	S	.	.	S	Bend	trans	55	-160.7	172.2	0	0	0	0	0	114.6	G207	G207-G209 PolarHBondContact O-N 2.84Å
210	S	92.6	Very high	94.3	Very high	50 Å²	50	43.9 Å²	43.9	35%	0.35	25%	0.254	S	S	.	.			trans	-140.2	166.3	177.9	76.6	0	0	0	0	111.5	T199 K212 Q213 P214	T199-S210 VanDerWaalsContact CG2-C 3.5Å; S210-K212 PolarHBondContact O-N 2.84Å; S210-K212 VanDerWaalsContact O-N 3.08Å; S210-K212 PolarHBondContact OG-N 3.37Å; S210-Q213 PolarHBondContact N-O 3.17Å; S210-Q213 CarbonylContact O-C 3.52Å; S210-Q213 PolarHBondContact O-N 2.88Å; S210-Q213 VanDerWaalsContact O-O 3.06Å; S210-Q213 PolarHBondContact OG-N 2.85Å; S210-P214 VanDerWaalsContact O-CA 3.28Å; S210-P214 WeakPolarHBondContact O-CA 3.22Å
211	K	89.8	Confident	94	Very high	195 Å²	195	42.4 Å²	42.4	85%	0.848	25%	0.245	S	C	*	.	S	Bend	trans	-57	-27.3	175.5	-69.2	-174.7	-179.4	178	0	113.4
212	K	88.8	Confident	93.7	Very high	199 Å²	199	42.3 Å²	42.3	87%	0.865	25%	0.246	S	C	*	.	S	Bend	trans	-80.3	-35.3	177.6	-69.8	-177.8	177.8	-178.5	0	112	S210	S210-K212 PolarHBondContact O-N 2.84Å; S210-K212 VanDerWaalsContact O-N 3.08Å; S210-K212 PolarHBondContact OG-N 3.37Å
213	Q	90.4	Very high	93.7	Very high	61 Å²	61	39.5 Å²	39.5	29%	0.285	23%	0.233	S	C	.	.	S	Bend	trans	-134.1	80.3	-178.7	-67.3	174	-21.7	0	0	108.5	S210 F323 D324	S210-Q213 PolarHBondContact N-O 3.17Å; S210-Q213 CarbonylContact O-C 3.52Å; S210-Q213 PolarHBondContact O-N 2.88Å; S210-Q213 VanDerWaalsContact O-O 3.06Å; S210-Q213 PolarHBondContact OG-N 2.85Å; Q213-F323 HydrophobicContact CB-CD2 3.79Å; Q213-F323 HydrophobicContact CB-CE2 4.33Å; Q213-F323 HydrophobicContact CG-CD2 4.32Å; Q213-F323 PolarHBondContact NE2-O 2.91Å; Q213-F323 VanDerWaalsContact NE2-O 3.12Å; Q213-F323 PolarHBondContact OE1-O 2.88Å; Q213-D324 PolarHBondContact NE2-O 2.7Å
214	P	93.6	Very high	93.8	Very high	51 Å²	51	36.1 Å²	36.1	33%	0.331	20%	0.197	S	C	.	.			trans	-72.3	143.9	-175.3	29.3	-34.4	0	0	0	110.8	T199 S210	T199-P214 HydrophobicContact CG2-CB 4.27Å; T199-P214 WeakPolarHBondContact OG1-CA 3.44Å; S210-P214 VanDerWaalsContact O-CA 3.28Å; S210-P214 WeakPolarHBondContact O-CA 3.22Å
215	V	95.9	Very high	93.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	20%	0.202	C	C	.	.			trans	-122.4	131	174	179.8	0	0	0	0	108.6	G198 T199 L208 L303 F323	G198-V215 CarbonylContact C-O 3.59Å; G198-V215 WeakPolarHBondContact CA-O 3.23Å; T199-V215 PolarHBondContact N-O 2.82Å; T199-V215 PolarHBondContact OG1-N 2.95Å; T199-V215 PolarHBondContact OG1-O 3.35Å; L208-V215 HydrophobicContact CB-CB 4.21Å; L208-V215 HydrophobicContact CB-CG1 4.47Å; L208-V215 HydrophobicContact CD2-CG1 4.03Å; V215-L303 HydrophobicContact CG2-CD1 4.42Å; V215-F323 HydrophobicContact CG2-CE2 3.41Å; V215-F323 VanDerWaalsContact CG2-CE2 3.41Å; V215-F323 HydrophobicContact CG2-CZ 3.65Å
216	H	97.4	Very high	93.8	Very high	5 Å²	5	36.6 Å²	36.6	2%	0.023	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145	175.3	-54.5	97.2	0	0	0	109.4	W154 V158 L196 I197 N200 L303	W154-H216 AromaticContact CD1-CE1 3.79Å; W154-H216 AromaticContact CD1-NE2 3.74Å; W154-H216 AromaticContact CG-NE2 3.91Å; V158-H216 VanDerWaalsContact CG1-C 3.4Å; V158-H216 HydrophobicContact CG1-CB 3.47Å; V158-H216 VanDerWaalsContact CG1-CB 3.47Å; V158-H216 VanDerWaalsContact CG1-O 3.25Å; V158-H216 WeakPolarHBondContact CG1-O 3.47Å; L196-H216 HydrophobicContact CD1-CB 4.19Å; I197-H216 VanDerWaalsContact O-CA 3.3Å; I197-H216 WeakPolarHBondContact O-CA 3.03Å; N200-H216 PolarHBondContact N-NE2 3.41Å; N200-H216 PolarHBondContact OD1-CE1 3.36Å; N200-H216 PolarHBondContact OD1-NE2 2.95Å; H216-L303 HydrophobicContact CB-CD2 4.32Å; H216-L303 VanDerWaalsContact O-CD2 3.22Å; H216-L303 WeakPolarHBondContact O-CD2 3.38Å
217	V	98.2	Very high	93.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	152.1	178.8	-69.8	0	0	0	0	109.9	L169 I181 I197 L208	L169-V217 HydrophobicContact CB-CB 4.02Å; L169-V217 HydrophobicContact CB-CG2 3.66Å; L169-V217 HydrophobicContact CD2-CG2 4.21Å; I181-V217 HydrophobicContact CD1-CG1 4.2Å; I181-V217 HydrophobicContact CG1-CG1 4.34Å; I181-V217 HydrophobicContact CG2-CG1 4.01Å; I197-V217 HydrophobicContact CD1-CG2 4.05Å; I197-V217 HydrophobicContact CG1-CG2 3.67Å; I197-V217 PolarHBondContact N-O 3.02Å; I197-V217 PolarHBondContact O-N 3.47Å; L208-V217 HydrophobicContact CD2-CG2 3.95Å
218	L	98.5	Very high	93.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	140.7	168.7	-62.4	173.7	0	0	0	110.1	C63 L74 V158 A166 L167 V168 L169 L194 E195 L196	C63-L218 HydrophobicContact CB-CD2 4.36Å; L74-L218 HydrophobicContact CD1-CD1 3.93Å; L74-L218 HydrophobicContact CD1-CD2 4.29Å; L74-L218 HydrophobicContact CD2-CD1 4.39Å; L74-L218 HydrophobicContact CD2-CD2 4.38Å; V158-L218 HydrophobicContact CB-CG 4.43Å; V158-L218 HydrophobicContact CG2-CD1 4.18Å; V158-L218 HydrophobicContact CG2-CD2 3.97Å; V158-L218 HydrophobicContact CG2-CG 3.79Å; A166-L218 HydrophobicContact CB-CD1 3.92Å; L167-L218 PolarHBondContact O-N 2.78Å; V168-L218 CarbonylContact C-O 3.2Å; V168-L218 VanDerWaalsContact CA-O 3.23Å; V168-L218 WeakPolarHBondContact CA-O 3.21Å; V168-L218 HydrophobicContact CG2-CB 4.39Å; L169-L218 PolarHBondContact N-O 3Å; L194-L218 HydrophobicContact CB-CB 4.31Å; L194-L218 HydrophobicContact CB-CD2 4.37Å; L194-L218 HydrophobicContact CD2-CB 3.78Å; L194-L218 HydrophobicContact CD2-CD1 4.22Å; E195-L218 CarbonylContact O-C 3.52Å; E195-L218 WeakPolarHBondContact O-CA 3.39Å; L196-L218 HydrophobicContact CB-CD2 4.02Å; L196-L218 HydrophobicContact CD1-CD2 4.01Å
219	V	97.6	Very high	93.4	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119.8	169.4	-173.7	0	0	0	0	108.4	L58 L169 L194 E195 I197 H221 S223 V224	L58-V219 HydrophobicContact CD1-CB 3.54Å; L58-V219 HydrophobicContact CD1-CG1 3.45Å; L58-V219 VanDerWaalsContact CD1-CG1 3.45Å; L58-V219 HydrophobicContact CD1-CG2 3.79Å; L169-V219 HydrophobicContact CB-CG2 3.98Å; L169-V219 HydrophobicContact CD2-CG2 4.03Å; L169-V219 HydrophobicContact CG-CG2 4.36Å; L194-V219 CarbonylContact C-O 3.5Å; L194-V219 VanDerWaalsContact CA-O 3.25Å; L194-V219 WeakPolarHBondContact CA-O 3.48Å; L194-V219 WeakPolarHBondContact CB-O 3.48Å; E195-V219 PolarHBondContact N-O 3.4Å; E195-V219 PolarHBondContact O-N 2.86Å; I197-V219 HydrophobicContact CD1-CG2 3.87Å; I197-V219 HydrophobicContact CG1-CG2 4.17Å; V219-H221 PolarHBondContact O-N 3.05Å; V219-S223 WeakPolarHBondContact CG1-OG 3.3Å; V219-V224 HydrophobicContact CG1-CG2 3.91Å
220	A	95.4	Very high	93.4	Very high	15 Å²	15	48.1 Å²	48.1	12%	0.124	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	136.4	178.7	0	0	0	0	0	110.5	L194 G222 S223	L194-A220 HydrophobicContact CD2-CB 4.23Å; A220-G222 PolarHBondContact O-N 2.95Å; A220-S223 VanDerWaalsContact O-CB 3.3Å; A220-S223 WeakPolarHBondContact O-CB 3.26Å; A220-S223 PolarHBondContact O-N 2.95Å; A220-S223 VanDerWaalsContact O-N 3.17Å; A220-S223 PolarHBondContact O-OG 3.11Å
221	H	91.6	Very high	93.5	Very high	31 Å²	31	49.2 Å²	49.2	14%	0.144	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	138.2	175.3	-83.2	-133.4	0	0	0	110.5	V7 T193 L194 E195 V219 S223	V7-H221 WeakPolarHBondContact CG2-CE1 3.39Å; V7-H221 WeakPolarHBondContact CG2-ND1 3.4Å; T193-H221 WeakPolarHBondContact O-CB 3.46Å; T193-H221 PolarHBondContact O-CD2 3.17Å; T193-H221 PolarHBondContact O-N 3.13Å; L194-H221 VanDerWaalsContact C-CD2 3.44Å; E195-H221 VanDerWaalsContact CG-NE2 3.31Å; E195-H221 WeakPolarHBondContact CG-NE2 3.45Å; E195-H221 IonicContact OE1-CE1 2.91Å; E195-H221 PolarHBondContact OE1-CE1 2.64Å; E195-H221 IonicContact OE1-NE2 3.22Å; E195-H221 PolarHBondContact OE1-NE2 2.96Å; V219-H221 PolarHBondContact O-N 3.05Å; H221-S223 PolarHBondContact O-N 3.21Å
222	G	89.9	Confident	93.8	Very high	5 Å²	5	41 Å²	41	5%	0.052	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	-2.2	-178.2	0	0	0	0	0	114.7	A220 H225	A220-G222 PolarHBondContact O-N 2.95Å; G222-H225 PolarHBondContact O-CD2 2.79Å; G222-H225 PolarHBondContact O-NE2 3.43Å
223	S	92.7	Very high	94.2	Very high	22 Å²	22	34.5 Å²	34.5	15%	0.154	19%	0.187	C	C	.	.			trans	-79.2	-28.7	-178.4	63.9	0	0	0	0	114.2	P171 V219 A220 H221	P171-S223 VanDerWaalsContact CG-O 3.26Å; P171-S223 WeakPolarHBondContact CG-O 3.36Å; V219-S223 WeakPolarHBondContact CG1-OG 3.3Å; A220-S223 VanDerWaalsContact O-CB 3.3Å; A220-S223 WeakPolarHBondContact O-CB 3.26Å; A220-S223 PolarHBondContact O-N 2.95Å; A220-S223 VanDerWaalsContact O-N 3.17Å; A220-S223 PolarHBondContact O-OG 3.11Å; H221-S223 PolarHBondContact O-N 3.21Å
224	V	94.4	Very high	94.6	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.03	18%	0.182	C	C	.	.	S	Bend	trans	-100.2	95.4	-178.5	-174.8	0	0	0	0	109.2	T55 E56 V219 L280	T55-V224 CarbonylContact C-O 3.58Å; T55-V224 VanDerWaalsContact CA-O 3.24Å; T55-V224 WeakPolarHBondContact CA-O 3.29Å; T55-V224 VanDerWaalsContact CB-O 3.26Å; T55-V224 WeakPolarHBondContact CB-O 3.32Å; E56-V224 HydrophobicContact CB-CB 4.19Å; E56-V224 HydrophobicContact CB-CG1 3.87Å; E56-V224 PolarHBondContact N-O 3.33Å; V219-V224 HydrophobicContact CG1-CG2 3.91Å; V224-L280 HydrophobicContact CG1-CD1 4.24Å; V224-L280 HydrophobicContact CG2-CD1 4.19Å
225	H	94	Very high	94.7	Very high	58 Å²	58	37.6 Å²	37.6	27%	0.269	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-72.8	149.4	-178.1	-57.7	145.7	0	0	0	112.8	G222	G222-H225 PolarHBondContact O-CD2 2.79Å; G222-H225 PolarHBondContact O-NE2 3.43Å
226	I	94.4	Very high	94.8	Very high	15 Å²	15	42.1 Å²	42.1	8%	0.077	22%	0.217	C	C	.	.			trans	-99.4	117.6	160.2	-65.7	169	0	0	0	106.1	A54 P229 W240 I252	A54-I226 HydrophobicContact CB-CB 4.34Å; A54-I226 PolarHBondContact O-N 2.85Å; I226-P229 HydrophobicContact CG2-CB 3.93Å; I226-W240 HydrophobicContact CD1-CH2 4.09Å; I226-W240 HydrophobicContact CG2-CH2 4.18Å; I226-W240 HydrophobicContact CG2-CZ2 3.86Å; I226-I252 HydrophobicContact CD1-CB 4.14Å; I226-I252 HydrophobicContact CD1-CD1 4.07Å; I226-I252 HydrophobicContact CD1-CG1 3.59Å; I226-I252 HydrophobicContact CD1-CG2 3.95Å
227	R	88.6	Confident	94.8	Very high	117 Å²	117	41.9 Å²	41.9	44%	0.442	22%	0.215	S	C	.	.	S	Bend	trans	-72	-45.4	-170.7	-70.5	178.8	175.1	164.7	-2.1	112.1	D177 P229	D177-R227 VanDerWaalsContact CG-NH1 3.31Å; D177-R227 IonicContact OD1-CZ 3.17Å; D177-R227 IonicContact OD1-NH1 3.92Å; D177-R227 PolarHBondContact OD1-NH1 3.36Å; D177-R227 IonicContact OD1-NH2 3.57Å; D177-R227 PolarHBondContact OD1-NH2 3.47Å; D177-R227 IonicContact OD2-CZ 2.96Å; D177-R227 IonicContact OD2-NH1 3.77Å; D177-R227 PolarHBondContact OD2-NH1 3.33Å; D177-R227 IonicContact OD2-NH2 2.75Å; D177-R227 PolarHBondContact OD2-NH2 3.29Å; R227-P229 VanDerWaalsContact C-CD 3.43Å; R227-P229 WeakPolarHBondContact O-CD 3.24Å
228	N	90.2	Very high	94.8	Very high	110 Å²	110	43 Å²	43	59%	0.588	22%	0.223	S	C	*	.	S	Bend	trans	-124.1	65.9	-175.9	-55.1	-63.1	0	0	0	110	E246	N228-E246 PolarHBondContact N-OE2 3.22Å; N228-E246 PolarHBondContact ND2-OE1 2.9Å
229	P	92.5	Very high	94.7	Very high	50 Å²	50	45.9 Å²	45.9	33%	0.325	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-64.1	139.3	177.5	31	-35.4	0	0	0	108.9	A54 I226 R227	A54-P229 HydrophobicContact CB-CB 3.67Å; A54-P229 HydrophobicContact CB-CG 3.71Å; I226-P229 HydrophobicContact CG2-CB 3.93Å; R227-P229 VanDerWaalsContact C-CD 3.43Å; R227-P229 WeakPolarHBondContact O-CD 3.24Å
230	P	94.6	Very high	94.7	Very high	18 Å²	18	47 Å²	47	12%	0.117	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-64.7	158.7	170.9	32.6	-37.8	0	0	0	109.7	Q236 L237 W240	P230-Q236 HydrophobicContact CB-CB 4.41Å; P230-L237 HydrophobicContact CG-CD2 3.45Å; P230-L237 VanDerWaalsContact CG-CD2 3.45Å; P230-L237 HydrophobicContact CG-CG 3.94Å; P230-W240 HydrophobicContact CB-CB 4.2Å; P230-W240 HydrophobicContact CB-CG 4.33Å; P230-W240 HydrophobicContact CG-CB 3.73Å; P230-W240 HydrophobicContact CG-CD2 4Å; P230-W240 HydrophobicContact CG-CE3 4.43Å; P230-W240 HydrophobicContact CG-CG 3.69Å
231	P	94.9	Very high	94.7	Very high	74 Å²	74	46.4 Å²	46.4	48%	0.481	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-51.1	155.4	169.2	-25.8	34.8	0	0	0	112	D233	P231-D233 PolarHBondContact O-N 2.87Å
232	V	96.6	Very high	94.8	Very high	22 Å²	22	50.1 Å²	50.1	13%	0.133	26%	0.259	C	S	.	.	S	Bend	trans	-74.6	70.8	175.2	-175.2	0	0	0	0	109.9	V14 F15 V40 I49 W254	V14-V232 HydrophobicContact CG1-CG1 4.46Å; V14-V232 HydrophobicContact CG2-CG1 3.46Å; V14-V232 VanDerWaalsContact CG2-CG1 3.46Å; V14-V232 HydrophobicContact CG2-CG2 4.5Å; F15-V232 HydrophobicContact CE1-CG1 4.46Å; F15-V232 HydrophobicContact CZ-CG1 4.39Å; V40-V232 HydrophobicContact CG1-CG1 4.36Å; V40-V232 HydrophobicContact CG2-CG1 4.33Å; I49-V232 HydrophobicContact CG1-CG2 3.8Å; I49-V232 HydrophobicContact CG2-CG2 4.23Å; V232-W254 HydrophobicContact CG2-CZ2 4.16Å
233	D	97.3	Very high	95	Very high	63 Å²	63	56.1 Å²	56.1	34%	0.337	29%	0.29	S	S	.	.			trans	-129.1	134.2	176.8	171.3	-96.4	0	0	0	108.5	P231 Q235 Q236 L237	P231-D233 PolarHBondContact O-N 2.87Å; D233-Q235 PolarHBondContact O-N 3Å; D233-Q235 PolarHBondContact OD1-N 2.7Å; D233-Q235 VanDerWaalsContact OD1-N 3.15Å; D233-Q236 HydrophobicContact CB-CB 4.14Å; D233-Q236 HydrophobicContact CB-CG 4.27Å; D233-Q236 PolarHBondContact O-N 2.95Å; D233-Q236 WeakPolarHBondContact OD1-CG 3.3Å; D233-Q236 PolarHBondContact OD1-N 2.93Å; D233-L237 VanDerWaalsContact O-CB 3.31Å; D233-L237 WeakPolarHBondContact O-CB 3.33Å; D233-L237 WeakPolarHBondContact O-CD1 3.25Å; D233-L237 WeakPolarHBondContact O-CG 3.36Å; D233-L237 PolarHBondContact O-N 3.23Å
234	Y	97.4	Very high	95	Very high	46 Å²	46	56.9 Å²	56.9	18%	0.18	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-45.6	-170.7	-176.1	-82.2	0	0	0	112.1	F15 A36 T37 E38 C238 L269	F15-Y234 HydrophobicContact CD2-CD2 4.24Å; F15-Y234 HydrophobicContact CE2-CD2 4.21Å; F15-Y234 HydrophobicContact CG-CD2 4.46Å; F15-Y234 HydrophobicContact CZ-CD2 4.43Å; A36-Y234 HydrophobicContact CB-CE2 3.97Å; T37-Y234 VanDerWaalsContact O-CD2 3.26Å; T37-Y234 WeakPolarHBondContact O-CD2 3.07Å; E38-Y234 HydrophobicContact CB-CG 4.37Å; E38-Y234 HydrophobicContact CG-CD1 3.94Å; E38-Y234 HydrophobicContact CG-CD2 4.23Å; E38-Y234 HydrophobicContact CG-CE1 4.41Å; E38-Y234 HydrophobicContact CG-CG 3.85Å; Y234-C238 WeakPolarHBondContact O-CB 3.47Å; Y234-C238 PolarHBondContact O-N 3.06Å; Y234-L269 HydrophobicContact CD2-CD2 3.85Å; Y234-L269 HydrophobicContact CE1-CD2 4.43Å; Y234-L269 HydrophobicContact CE2-CD2 3.41Å; Y234-L269 VanDerWaalsContact CE2-CD2 3.41Å
235	Q	97.3	Very high	94.9	Very high	131 Å²	131	63.2 Å²	63.2	61%	0.612	33%	0.325	S	S	*	.	H	α-helix	trans	-71.2	-44.8	-176.3	-66.2	-176.2	-2.6	0	0	110.9	D233 L237 C238 S239	D233-Q235 PolarHBondContact O-N 3Å; D233-Q235 PolarHBondContact OD1-N 2.7Å; D233-Q235 VanDerWaalsContact OD1-N 3.15Å; Q235-L237 VanDerWaalsContact C-N 3.35Å; Q235-L237 PolarHBondContact O-N 2.98Å; Q235-C238 WeakPolarHBondContact O-CB 3.44Å; Q235-C238 PolarHBondContact O-N 2.94Å; Q235-S239 PolarHBondContact O-N 3Å; Q235-S239 PolarHBondContact O-OG 2.59Å
236	Q	97.6	Very high	94.8	Very high	96 Å²	96	63.3 Å²	63.3	45%	0.449	33%	0.325	S	S	.	.	H	α-helix	trans	-62.1	-41.4	177.6	-70	-180	69.5	0	0	112.2	P230 D233 W240	P230-Q236 HydrophobicContact CB-CB 4.41Å; D233-Q236 HydrophobicContact CB-CB 4.14Å; D233-Q236 HydrophobicContact CB-CG 4.27Å; D233-Q236 PolarHBondContact O-N 2.95Å; D233-Q236 WeakPolarHBondContact OD1-CG 3.3Å; D233-Q236 PolarHBondContact OD1-N 2.93Å; Q236-W240 VanDerWaalsContact O-CB 3.25Å; Q236-W240 WeakPolarHBondContact O-CB 3.28Å; Q236-W240 PolarHBondContact O-N 3.11Å
237	L	97.8	Very high	94.8	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-41.3	174.9	-81.4	159.6	0	0	0	111.7	F15 P230 D233 Q235 W240 F241 I252 W254 L264	F15-L237 HydrophobicContact CE2-CD1 3.79Å; F15-L237 HydrophobicContact CZ-CD1 3.74Å; P230-L237 HydrophobicContact CG-CD2 3.45Å; P230-L237 VanDerWaalsContact CG-CD2 3.45Å; P230-L237 HydrophobicContact CG-CG 3.94Å; D233-L237 VanDerWaalsContact O-CB 3.31Å; D233-L237 WeakPolarHBondContact O-CB 3.33Å; D233-L237 WeakPolarHBondContact O-CD1 3.25Å; D233-L237 WeakPolarHBondContact O-CG 3.36Å; D233-L237 PolarHBondContact O-N 3.23Å; Q235-L237 VanDerWaalsContact C-N 3.35Å; Q235-L237 PolarHBondContact O-N 2.98Å; L237-W240 PolarHBondContact O-N 3.1Å; L237-F241 HydrophobicContact CD2-CE2 4.44Å; L237-F241 WeakPolarHBondContact O-CD2 2.89Å; L237-F241 PolarHBondContact O-N 3.42Å; L237-I252 HydrophobicContact CD2-CD1 3.81Å; L237-W254 HydrophobicContact CD1-CH2 4.3Å; L237-W254 HydrophobicContact CD2-CH2 4.16Å; L237-W254 HydrophobicContact CD2-CZ2 4.22Å; L237-L264 HydrophobicContact CB-CD2 4.1Å; L237-L264 HydrophobicContact CD1-CD2 3.75Å; L237-L264 HydrophobicContact CD2-CD2 4.13Å; L237-L264 HydrophobicContact CG-CD2 4.23Å
238	C	97	Very high	95.1	Very high	22 Å²	22	62.6 Å²	62.6	15%	0.149	32%	0.322	C	S	.	.	H	α-helix	trans	-60.7	-51.7	176.4	-163.8	0	0	0	0	111.5	Y234 Q235 W240 F241 Q242 L269	Y234-C238 WeakPolarHBondContact O-CB 3.47Å; Y234-C238 PolarHBondContact O-N 3.06Å; Q235-C238 WeakPolarHBondContact O-CB 3.44Å; Q235-C238 PolarHBondContact O-N 2.94Å; C238-W240 VanDerWaalsContact C-N 3.34Å; C238-W240 PolarHBondContact O-N 3.48Å; C238-F241 PolarHBondContact O-N 3.49Å; C238-Q242 WeakPolarHBondContact O-CG 3.47Å; C238-Q242 PolarHBondContact O-N 3.24Å; C238-Q242 VanDerWaalsContact O-N 3.12Å; C238-Q242 PolarHBondContact O-OE1 2.88Å; C238-Q242 PolarHBondContact SG-OE1 3.44Å; C238-L269 HydrophobicContact CB-CD1 4.34Å
239	S	96.9	Very high	95.3	Very high	62 Å²	62	57.4 Å²	57.4	43%	0.434	29%	0.294	S	S	.	.	H	α-helix	trans	-59.3	-43.7	175.9	-66.5	0	0	0	0	111.9	Q235 F241 Q242 D243	Q235-S239 PolarHBondContact O-N 3Å; Q235-S239 PolarHBondContact O-OG 2.59Å; S239-F241 PolarHBondContact O-N 3.18Å; S239-Q242 PolarHBondContact O-N 3.41Å; S239-Q242 VanDerWaalsContact O-N 3.16Å; S239-D243 WeakPolarHBondContact O-CB 3.33Å; S239-D243 PolarHBondContact O-N 3.01Å
240	W	96.9	Very high	95.5	Very high	25 Å²	25	55.3 Å²	55.3	10%	0.095	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-46.9	177.8	-179.2	87.8	0	0	0	111.9	I226 P230 Q236 L237 C238 Q242 S244 E246 G247 V249 I252	I226-W240 HydrophobicContact CD1-CH2 4.09Å; I226-W240 HydrophobicContact CG2-CH2 4.18Å; I226-W240 HydrophobicContact CG2-CZ2 3.86Å; P230-W240 HydrophobicContact CB-CB 4.2Å; P230-W240 HydrophobicContact CB-CG 4.33Å; P230-W240 HydrophobicContact CG-CB 3.73Å; P230-W240 HydrophobicContact CG-CD2 4Å; P230-W240 HydrophobicContact CG-CE3 4.43Å; P230-W240 HydrophobicContact CG-CG 3.69Å; Q236-W240 VanDerWaalsContact O-CB 3.25Å; Q236-W240 WeakPolarHBondContact O-CB 3.28Å; Q236-W240 PolarHBondContact O-N 3.11Å; L237-W240 PolarHBondContact O-N 3.1Å; C238-W240 VanDerWaalsContact C-N 3.34Å; C238-W240 PolarHBondContact O-N 3.48Å; W240-Q242 PolarHBondContact O-N 2.87Å; W240-S244 WeakPolarHBondContact O-CB 3.4Å; W240-S244 PolarHBondContact O-N 2.95Å; W240-E246 VanDerWaalsContact CH2-O 3.23Å; W240-E246 WeakPolarHBondContact CH2-O 3.49Å; W240-E246 HydrophobicContact CZ2-CB 3.75Å; W240-E246 VanDerWaalsContact CZ2-O 3.25Å; W240-E246 WeakPolarHBondContact CZ2-O 3.36Å; W240-G247 WeakPolarHBondContact O-CA 3.35Å; W240-V249 HydrophobicContact CH2-CG2 3.82Å; W240-V249 HydrophobicContact CZ3-CG2 3.94Å; W240-I252 HydrophobicContact CE3-CD1 4.31Å; W240-I252 HydrophobicContact CH2-CD1 4.09Å; W240-I252 HydrophobicContact CH2-CG1 4.42Å; W240-I252 HydrophobicContact CZ3-CD1 3.72Å; W240-I252 HydrophobicContact CZ3-CG1 4.11Å
241	F	96.3	Very high	95.5	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-30.5	177	-83	-60.5	0	0	0	113.2	L237 C238 S239 G247 V249 I252 L264 R266 L269 L271	L237-F241 HydrophobicContact CD2-CE2 4.44Å; L237-F241 WeakPolarHBondContact O-CD2 2.89Å; L237-F241 PolarHBondContact O-N 3.42Å; C238-F241 PolarHBondContact O-N 3.49Å; S239-F241 PolarHBondContact O-N 3.18Å; F241-G247 WeakPolarHBondContact CD1-O 3.44Å; F241-V249 HydrophobicContact CD1-CG2 4.49Å; F241-V249 HydrophobicContact CE1-CG2 3.92Å; F241-I252 HydrophobicContact CE1-CG1 4.48Å; F241-I252 HydrophobicContact CZ-CD1 4.36Å; F241-I252 HydrophobicContact CZ-CG1 3.97Å; F241-L264 HydrophobicContact CE2-CD2 3.85Å; F241-L264 HydrophobicContact CE2-CG 4.07Å; F241-R266 HydrophobicContact CD1-CG 3.61Å; F241-R266 VanDerWaalsContact CD1-NH1 3.26Å; F241-R266 HydrophobicContact CE1-CG 3.71Å; F241-R266 HydrophobicContact CG-CG 4.12Å; F241-R266 HydrophobicContact CZ-CG 4.35Å; F241-R266 VanDerWaalsContact O-CZ 3.23Å; F241-R266 PolarHBondContact O-NH1 2.98Å; F241-R266 PolarHBondContact O-NH2 3.13Å; F241-L269 HydrophobicContact CD2-CD1 3.45Å; F241-L269 VanDerWaalsContact CD2-CD1 3.45Å; F241-L269 HydrophobicContact CE2-CD1 3.81Å; F241-L271 HydrophobicContact CB-CD1 3.53Å; F241-L271 HydrophobicContact CG-CD1 4.37Å
242	Q	94.1	Very high	95.7	Very high	109 Å²	109	50.9 Å²	50.9	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-84.8	-44.9	-177.9	-69.3	178.4	-93	0	0	112.6	C238 S239 W240 L271	C238-Q242 WeakPolarHBondContact O-CG 3.47Å; C238-Q242 PolarHBondContact O-N 3.24Å; C238-Q242 VanDerWaalsContact O-N 3.12Å; C238-Q242 PolarHBondContact O-OE1 2.88Å; C238-Q242 PolarHBondContact SG-OE1 3.44Å; S239-Q242 PolarHBondContact O-N 3.41Å; S239-Q242 VanDerWaalsContact O-N 3.16Å; W240-Q242 PolarHBondContact O-N 2.87Å; Q242-L271 HydrophobicContact CG-CD1 3.85Å; Q242-L271 HydrophobicContact CG-CD2 3.7Å; Q242-L271 HydrophobicContact CG-CG 4.45Å
243	D	93.4	Very high	95.7	Very high	131 Å²	131	50.3 Å²	50.3	70%	0.701	25%	0.248	S	C	*	.	H	α-helix	trans	-109.1	-20.4	-162.2	-53.9	-37.5	0	0	0	112.8	S239	S239-D243 WeakPolarHBondContact O-CB 3.33Å; S239-D243 PolarHBondContact O-N 3.01Å
244	S	93.2	Very high	95.7	Very high	39 Å²	39	47.7 Å²	47.7	27%	0.273	23%	0.233	S	C	.	.			trans	-87.1	141.3	-179.4	-175.6	0	0	0	0	112.4	W240 E246 G247	W240-S244 WeakPolarHBondContact O-CB 3.4Å; W240-S244 PolarHBondContact O-N 2.95Å; S244-E246 PolarHBondContact OG-N 2.68Å; S244-G247 WeakPolarHBondContact O-CA 3.39Å; S244-G247 PolarHBondContact O-N 3.4Å; S244-G247 VanDerWaalsContact O-N 3.12Å
245	Q	91.3	Very high	95.5	Very high	137 Å²	137	45.9 Å²	45.9	64%	0.64	23%	0.226	S	C	*	.	S	Bend	trans	-63.6	-42.8	168.7	-173.3	174.7	-3.3	0	0	111.3	G247 R248 I279	Q245-G247 PolarHBondContact O-N 3.35Å; Q245-R248 WeakPolarHBondContact O-CB 3.26Å; Q245-R248 PolarHBondContact O-N 2.77Å; Q245-R248 VanDerWaalsContact O-N 3.12Å; Q245-I279 WeakPolarHBondContact O-CD1 3.48Å; Q245-I279 WeakPolarHBondContact O-CG1 3.46Å
246	E	91.7	Very high	95.3	Very high	61 Å²	61	40 Å²	40	29%	0.285	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.4	172.9	-67.9	-169.8	-157	0	0	112	N228 W240 S244 R248 I279	N228-E246 PolarHBondContact N-OE2 3.22Å; N228-E246 PolarHBondContact ND2-OE1 2.9Å; W240-E246 VanDerWaalsContact CH2-O 3.23Å; W240-E246 WeakPolarHBondContact CH2-O 3.49Å; W240-E246 HydrophobicContact CZ2-CB 3.75Å; W240-E246 VanDerWaalsContact CZ2-O 3.25Å; W240-E246 WeakPolarHBondContact CZ2-O 3.36Å; S244-E246 PolarHBondContact OG-N 2.68Å; E246-R248 PolarHBondContact O-N 2.86Å; E246-I279 HydrophobicContact CG-CD1 4.47Å
247	G	94.5	Very high	95	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-7.5	176	0	0	0	0	0	115.3	W240 F241 S244 Q245 V249 R266	W240-G247 WeakPolarHBondContact O-CA 3.35Å; F241-G247 WeakPolarHBondContact CD1-O 3.44Å; S244-G247 WeakPolarHBondContact O-CA 3.39Å; S244-G247 PolarHBondContact O-N 3.4Å; S244-G247 VanDerWaalsContact O-N 3.12Å; Q245-G247 PolarHBondContact O-N 3.35Å; G247-V249 PolarHBondContact O-N 2.83Å; G247-R266 PolarHBondContact O-NH1 3.09Å
248	R	95.1	Very high	94.6	Very high	116 Å²	116	45.5 Å²	45.5	44%	0.438	23%	0.232	S	C	.	.			trans	-79.3	56.8	178.7	-62.2	-176.8	-174	170.9	1.1	112.2	Q245 E246 P274 T278 I279	Q245-R248 WeakPolarHBondContact O-CB 3.26Å; Q245-R248 PolarHBondContact O-N 2.77Å; Q245-R248 VanDerWaalsContact O-N 3.12Å; E246-R248 PolarHBondContact O-N 2.86Å; R248-P274 HydrophobicContact CB-CB 4.12Å; R248-T278 CarbonylContact O-C 3.58Å; R248-T278 WeakPolarHBondContact O-CA 3.26Å; R248-T278 WeakPolarHBondContact O-CB 3.24Å; R248-I279 HydrophobicContact CB-CG1 4.44Å; R248-I279 PolarHBondContact O-N 3.32Å
249	V	95.8	Very high	94.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.233	C	C	.	.	S	Bend	trans	-132.5	151.3	178.8	-62.3	0	0	0	0	110.1	E56 W240 F241 G247 G251 R266 I279	E56-V249 VanDerWaalsContact CD-CG1 3.48Å; E56-V249 HydrophobicContact CG-CB 3.81Å; E56-V249 HydrophobicContact CG-CG1 3.71Å; W240-V249 HydrophobicContact CH2-CG2 3.82Å; W240-V249 HydrophobicContact CZ3-CG2 3.94Å; F241-V249 HydrophobicContact CD1-CG2 4.49Å; F241-V249 HydrophobicContact CE1-CG2 3.92Å; G247-V249 PolarHBondContact O-N 2.83Å; V249-G251 PolarHBondContact O-N 3.23Å; V249-R266 WeakPolarHBondContact O-CD 3.31Å; V249-R266 WeakPolarHBondContact O-CG 3.43Å; V249-I279 HydrophobicContact CG1-CB 3.81Å; V249-I279 HydrophobicContact CG1-CG1 4.14Å; V249-I279 HydrophobicContact CG1-CG2 4.37Å
250	E	95.2	Very high	93.8	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.028	22%	0.219	C	C	.	.	S	Bend	trans	-58.9	-29.9	179	169.3	66.3	149.3	0	0	113.8	K57 D59 H265 R266 W273	K57-E250 HydrophobicContact CD-CG 4.42Å; K57-E250 WeakPolarHBondContact O-CB 3.37Å; D59-E250 HydrophobicContact CB-CG 4.23Å; E250-H265 PolarHBondContact O-ND1 2.75Å; E250-H265 VanDerWaalsContact O-ND1 3.13Å; E250-H265 IonicContact OE1-CD2 2.78Å; E250-H265 IonicContact OE1-CE1 2.95Å; E250-H265 PolarHBondContact OE1-CE1 3Å; E250-H265 IonicContact OE1-ND1 3.46Å; E250-H265 IonicContact OE1-NE2 3.84Å; E250-H265 PolarHBondContact OE1-NE2 3Å; E250-H265 IonicContact OE2-CE1 3.92Å; E250-H265 PolarHBondContact OE2-CE1 3.2Å; E250-H265 IonicContact OE2-ND1 2.68Å; E250-H265 PolarHBondContact OE2-ND1 2.99Å; E250-H265 IonicContact OE2-NE2 2.69Å; E250-R266 WeakPolarHBondContact O-CG 3.24Å; E250-R266 PolarHBondContact O-N 2.68Å; E250-W273 HydrophobicContact CB-CE3 4.29Å; E250-W273 HydrophobicContact CB-CH2 3.62Å; E250-W273 HydrophobicContact CB-CZ2 4.47Å; E250-W273 HydrophobicContact CB-CZ3 3.54Å; E250-W273 VanDerWaalsContact CD-CE3 3.46Å; E250-W273 HydrophobicContact CG-CE3 4.36Å; E250-W273 HydrophobicContact CG-CH2 4.1Å; E250-W273 HydrophobicContact CG-CZ3 3.59Å; E250-W273 WeakPolarHBondContact OE1-CZ3 3.35Å; E250-W273 VanDerWaalsContact OE2-CE3 3.22Å; E250-W273 WeakPolarHBondContact OE2-CZ3 3.42Å
251	G	96.4	Very high	93.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.9	-174.7	-178.7	0	0	0	0	0	112.7	K57 V249 L264	K57-G251 WeakPolarHBondContact CB-O 3.36Å; K57-G251 PolarHBondContact N-O 3.07Å; V249-G251 PolarHBondContact O-N 3.23Å; G251-L264 CarbonylContact C-O 2.96Å; G251-L264 WeakPolarHBondContact CA-O 3.38Å
252	I	97.8	Very high	93.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.5	177.2	-52.2	-176	0	0	0	108.4	A54 T55 I226 L237 W240 F241 W254 K263 L264	A54-I252 HydrophobicContact CB-CG2 3.98Å; T55-I252 CarbonylContact O-C 3.55Å; T55-I252 WeakPolarHBondContact O-CA 3.33Å; I226-I252 HydrophobicContact CD1-CB 4.14Å; I226-I252 HydrophobicContact CD1-CD1 4.07Å; I226-I252 HydrophobicContact CD1-CG1 3.59Å; I226-I252 HydrophobicContact CD1-CG2 3.95Å; L237-I252 HydrophobicContact CD2-CD1 3.81Å; W240-I252 HydrophobicContact CE3-CD1 4.31Å; W240-I252 HydrophobicContact CH2-CD1 4.09Å; W240-I252 HydrophobicContact CH2-CG1 4.42Å; W240-I252 HydrophobicContact CZ3-CD1 3.72Å; W240-I252 HydrophobicContact CZ3-CG1 4.11Å; F241-I252 HydrophobicContact CE1-CG1 4.48Å; F241-I252 HydrophobicContact CZ-CD1 4.36Å; F241-I252 HydrophobicContact CZ-CG1 3.97Å; I252-W254 HydrophobicContact CB-CE3 4.17Å; I252-W254 HydrophobicContact CB-CH2 3.66Å; I252-W254 HydrophobicContact CB-CZ2 4.01Å; I252-W254 HydrophobicContact CB-CZ3 3.75Å; I252-W254 HydrophobicContact CD1-CH2 3.96Å; I252-W254 HydrophobicContact CD1-CZ2 3.87Å; I252-W254 HydrophobicContact CG1-CH2 4.29Å; I252-W254 HydrophobicContact CG2-CD2 3.66Å; I252-W254 HydrophobicContact CG2-CE3 3.77Å; I252-W254 HydrophobicContact CG2-CG 4.38Å; I252-W254 HydrophobicContact CG2-CH2 3.74Å; I252-W254 HydrophobicContact CG2-CZ2 3.61Å; I252-W254 HydrophobicContact CG2-CZ3 3.82Å; I252-K263 CarbonylContact O-C 3.54Å; I252-K263 WeakPolarHBondContact O-CA 3.12Å; I252-K263 WeakPolarHBondContact O-CB 3.46Å; I252-L264 PolarHBondContact N-O 3.3Å; I252-L264 PolarHBondContact O-N 3.47Å
253	V	97	Very high	93.8	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.055	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.1	162	-177.2	0	0	0	0	108	I11 T55 K57 V262 K263	I11-V253 HydrophobicContact CD1-CG1 4.41Å; T55-V253 PolarHBondContact N-O 3.05Å; T55-V253 PolarHBondContact O-N 3.49Å; T55-V253 PolarHBondContact OG1-O 2.88Å; K57-V253 HydrophobicContact CB-CG2 3.74Å; K57-V253 HydrophobicContact CG-CG2 3.79Å; V253-V262 WeakPolarHBondContact CA-O 3.36Å; V253-K263 HydrophobicContact CG2-CB 4.09Å
254	W	96.6	Very high	94	Very high	8 Å²	8	33.6 Å²	33.6	3%	0.03	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.8	171.2	-67.9	-96.2	0	0	0	110.1	V14 I49 A52 L53 V232 L237 I252 V262 L264	V14-W254 HydrophobicContact CB-CE3 4.29Å; V14-W254 HydrophobicContact CB-CZ3 3.92Å; V14-W254 HydrophobicContact CG1-CH2 4.17Å; V14-W254 HydrophobicContact CG1-CZ3 3.86Å; V14-W254 HydrophobicContact CG2-CE3 4.32Å; V14-W254 HydrophobicContact CG2-CZ3 4.22Å; I49-W254 HydrophobicContact CD1-CB 3.31Å; I49-W254 HydrophobicContact CD1-CD2 4.19Å; I49-W254 HydrophobicContact CD1-CG 3.55Å; I49-W254 HydrophobicContact CG1-CB 4.48Å; I49-W254 HydrophobicContact CG1-CG 4.28Å; A52-W254 HydrophobicContact CB-CB 3.95Å; L53-W254 CarbonylContact O-C 3.59Å; L53-W254 WeakPolarHBondContact O-CA 3.45Å; V232-W254 HydrophobicContact CG2-CZ2 4.16Å; L237-W254 HydrophobicContact CD1-CH2 4.3Å; L237-W254 HydrophobicContact CD2-CH2 4.16Å; L237-W254 HydrophobicContact CD2-CZ2 4.22Å; I252-W254 HydrophobicContact CB-CE3 4.17Å; I252-W254 HydrophobicContact CB-CH2 3.66Å; I252-W254 HydrophobicContact CB-CZ2 4.01Å; I252-W254 HydrophobicContact CB-CZ3 3.75Å; I252-W254 HydrophobicContact CD1-CH2 3.96Å; I252-W254 HydrophobicContact CD1-CZ2 3.87Å; I252-W254 HydrophobicContact CG1-CH2 4.29Å; I252-W254 HydrophobicContact CG2-CD2 3.66Å; I252-W254 HydrophobicContact CG2-CE3 3.77Å; I252-W254 HydrophobicContact CG2-CG 4.38Å; I252-W254 HydrophobicContact CG2-CH2 3.74Å; I252-W254 HydrophobicContact CG2-CZ2 3.61Å; I252-W254 HydrophobicContact CG2-CZ3 3.82Å; W254-V262 HydrophobicContact CB-CG2 3.97Å; W254-V262 HydrophobicContact CE3-CG2 4.3Å; W254-V262 PolarHBondContact N-O 2.77Å; W254-V262 PolarHBondContact O-N 2.95Å; W254-L264 HydrophobicContact CH2-CB 3.88Å; W254-L264 HydrophobicContact CH2-CD2 4.39Å; W254-L264 HydrophobicContact CZ3-CB 3.63Å
255	H	94.2	Very high	94.1	Very high	9 Å²	9	32.2 Å²	32.2	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	99.1	176.6	-60.8	-107.7	0	0	0	108.8	A52 L53 T55 L261	A52-H255 WeakPolarHBondContact CA-O 3.46Å; A52-H255 WeakPolarHBondContact CB-O 3.48Å; L53-H255 HydrophobicContact CB-CB 4.37Å; L53-H255 PolarHBondContact N-O 2.82Å; L53-H255 VanDerWaalsContact N-O 3.1Å; L53-H255 PolarHBondContact O-N 3.02Å; T55-H255 PolarHBondContact OG1-CD2 2.85Å; T55-H255 VanDerWaalsContact OG1-CD2 3.28Å; T55-H255 PolarHBondContact OG1-NE2 3.44Å; H255-L261 HydrophobicContact CB-CD2 4.08Å; H255-L261 VanDerWaalsContact ND1-CD2 3.28Å; H255-L261 WeakPolarHBondContact ND1-CD2 3.47Å
256	C	93.2	Very high	94.2	Very high	7 Å²	7	26.6 Å²	26.6	5%	0.047	13%	0.132	C	C	.	.			trans	-74.5	155	-179.7	-57.9	0	0	0	0	111.2	S47 A52 D258 G259 T260	S47-C256 WeakPolarHBondContact O-CB 3.45Å; A52-C256 HydrophobicContact CB-CB 4.48Å; C256-D258 VanDerWaalsContact C-N 3.26Å; C256-D258 WeakPolarHBondContact CB-OD1 3.4Å; C256-D258 PolarHBondContact O-N 2.92Å; C256-G259 WeakPolarHBondContact O-CA 3.37Å; C256-G259 PolarHBondContact O-N 3.48Å; C256-T260 VanDerWaalsContact CB-O 3.31Å; C256-T260 WeakPolarHBondContact CB-O 3.31Å; C256-T260 PolarHBondContact N-O 2.95Å
257	N	90.8	Very high	94.3	Very high	120 Å²	120	25.2 Å²	25.2	64%	0.642	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-23.4	-174.5	-71.5	-39	0	0	0	113.9	G259	N257-G259 PolarHBondContact O-N 2.75Å
258	D	89.1	Confident	94.3	Very high	91 Å²	91	26.3 Å²	26.3	49%	0.487	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.6	172.5	69.9	-19.7	0	0	0	112.8	S47 C256 T260	S47-D258 PolarHBondContact OG-OD2 3.15Å; C256-D258 VanDerWaalsContact C-N 3.26Å; C256-D258 WeakPolarHBondContact CB-OD1 3.4Å; C256-D258 PolarHBondContact O-N 2.92Å; D258-T260 VanDerWaalsContact C-N 3.32Å; D258-T260 VanDerWaalsContact CG-OG1 3.31Å; D258-T260 WeakPolarHBondContact OD1-CB 3.35Å; D258-T260 PolarHBondContact OD1-N 3.5Å; D258-T260 PolarHBondContact OD1-OG1 2.7Å; D258-T260 PolarHBondContact OD2-OG1 3.26Å
259	G	87.5	Confident	94.3	Very high	16 Å²	16	21.4 Å²	21.4	17%	0.165	11%	0.113	C	C	.	.	S	Bend	trans	79.9	10.1	-175.7	0	0	0	0	0	113.8	R123 C256 N257	R123-G259 PolarHBondContact NH1-O 3.4Å; R123-G259 PolarHBondContact NH2-O 3.35Å; R123-G259 VanDerWaalsContact NH2-O 3.16Å; C256-G259 WeakPolarHBondContact O-CA 3.37Å; C256-G259 PolarHBondContact O-N 3.48Å; N257-G259 PolarHBondContact O-N 2.75Å
260	T	90.7	Very high	94.1	Very high	23 Å²	23	21.6 Å²	21.6	14%	0.141	12%	0.115	C	C	.	.			trans	-69.1	139.8	167.4	-64.5	0	0	0	0	109.6	I43 S47 C256 D258 V262	I43-T260 HydrophobicContact CG2-CG2 3.89Å; S47-T260 VanDerWaalsContact OG-CB 3.31Å; S47-T260 WeakPolarHBondContact OG-CB 3.49Å; S47-T260 WeakPolarHBondContact OG-CG2 3.3Å; S47-T260 PolarHBondContact OG-OG1 3.36Å; C256-T260 VanDerWaalsContact CB-O 3.31Å; C256-T260 WeakPolarHBondContact CB-O 3.31Å; C256-T260 PolarHBondContact N-O 2.95Å; D258-T260 VanDerWaalsContact C-N 3.32Å; D258-T260 VanDerWaalsContact CG-OG1 3.31Å; D258-T260 WeakPolarHBondContact OD1-CB 3.35Å; D258-T260 PolarHBondContact OD1-N 3.5Å; D258-T260 PolarHBondContact OD1-OG1 2.7Å; D258-T260 PolarHBondContact OD2-OG1 3.26Å; T260-V262 HydrophobicContact CG2-CG1 4.29Å
261	L	93.2	Very high	94	Very high	15 Å²	15	22.2 Å²	22.2	8%	0.079	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.7	173.1	-59.6	-180	0	0	0	108.4	V7 I11 H255	V7-L261 HydrophobicContact CG2-CD1 3.75Å; I11-L261 HydrophobicContact CD1-CB 4.29Å; I11-L261 HydrophobicContact CD1-CD1 4.15Å; I11-L261 HydrophobicContact CG1-CB 4.18Å; I11-L261 HydrophobicContact CG1-CD1 4.43Å; I11-L261 HydrophobicContact CG2-CB 4.01Å; I11-L261 WeakPolarHBondContact CG2-O 3.49Å; H255-L261 HydrophobicContact CB-CD2 4.08Å; H255-L261 VanDerWaalsContact ND1-CD2 3.28Å; H255-L261 WeakPolarHBondContact ND1-CD2 3.47Å
262	V	95.8	Very high	93.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.8	167.7	-62.8	0	0	0	0	109.3	S12 V14 A44 I49 V253 W254 T260	S12-V262 WeakPolarHBondContact O-CA 3.1Å; V14-V262 HydrophobicContact CB-CB 4.47Å; V14-V262 HydrophobicContact CB-CG2 4.29Å; V14-V262 HydrophobicContact CG2-CG2 4.03Å; A44-V262 HydrophobicContact CB-CG1 4.22Å; A44-V262 HydrophobicContact CB-CG2 4.27Å; I49-V262 HydrophobicContact CD1-CG2 3.25Å; I49-V262 HydrophobicContact CG1-CG2 4.36Å; V253-V262 WeakPolarHBondContact CA-O 3.36Å; W254-V262 HydrophobicContact CB-CG2 3.97Å; W254-V262 HydrophobicContact CE3-CG2 4.3Å; W254-V262 PolarHBondContact N-O 2.77Å; W254-V262 PolarHBondContact O-N 2.95Å; T260-V262 HydrophobicContact CG2-CG1 4.29Å
263	K	96.6	Very high	93.4	Very high	47 Å²	47	34.9 Å²	34.9	20%	0.204	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	159.1	-177.8	69.9	-176.2	176.1	-159.4	0	112.4	I11 S12 C13 V14 K57 I252 V253	I11-K263 HydrophobicContact CB-CD 3.95Å; I11-K263 HydrophobicContact CB-CG 4.27Å; I11-K263 HydrophobicContact CG2-CB 3.8Å; I11-K263 HydrophobicContact CG2-CD 3.96Å; I11-K263 HydrophobicContact CG2-CG 3.76Å; I11-K263 WeakPolarHBondContact O-CE 3.23Å; I11-K263 PolarHBondContact O-NZ 2.88Å; S12-K263 PolarHBondContact O-N 2.87Å; C13-K263 CarbonylContact C-O 3.6Å; C13-K263 WeakPolarHBondContact CA-O 3.38Å; V14-K263 PolarHBondContact N-O 3.45Å; K57-K263 HydrophobicContact CD-CD 4.4Å; I252-K263 CarbonylContact O-C 3.54Å; I252-K263 WeakPolarHBondContact O-CA 3.12Å; I252-K263 WeakPolarHBondContact O-CB 3.46Å; V253-K263 HydrophobicContact CG2-CB 4.09Å
264	L	97.8	Very high	93.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137	162.3	-176	55.4	0	0	0	107.8	V14 F15 L237 F241 G251 I252 W254 H268 L269	V14-L264 HydrophobicContact CG1-CB 3.86Å; V14-L264 HydrophobicContact CG1-CD1 4.34Å; V14-L264 HydrophobicContact CG1-CD2 4.17Å; V14-L264 HydrophobicContact CG1-CG 4.38Å; F15-L264 HydrophobicContact CD2-CD1 4.01Å; F15-L264 HydrophobicContact CD2-CD2 4.25Å; F15-L264 HydrophobicContact CE2-CD1 4.36Å; F15-L264 HydrophobicContact CE2-CD2 3.76Å; L237-L264 HydrophobicContact CB-CD2 4.1Å; L237-L264 HydrophobicContact CD1-CD2 3.75Å; L237-L264 HydrophobicContact CD2-CD2 4.13Å; L237-L264 HydrophobicContact CG-CD2 4.23Å; F241-L264 HydrophobicContact CE2-CD2 3.85Å; F241-L264 HydrophobicContact CE2-CG 4.07Å; G251-L264 CarbonylContact C-O 2.96Å; G251-L264 WeakPolarHBondContact CA-O 3.38Å; I252-L264 PolarHBondContact N-O 3.3Å; I252-L264 PolarHBondContact O-N 3.47Å; W254-L264 HydrophobicContact CH2-CB 3.88Å; W254-L264 HydrophobicContact CH2-CD2 4.39Å; W254-L264 HydrophobicContact CZ3-CB 3.63Å; L264-H268 HydrophobicContact CD1-CB 4.1Å; L264-L269 HydrophobicContact CD1-CD2 4.21Å; L264-L269 HydrophobicContact CD1-CG 4.24Å; L264-L269 HydrophobicContact CD2-CD1 4.12Å; L264-L269 HydrophobicContact CD2-CD2 4.41Å; L264-L269 HydrophobicContact CD2-CG 4.42Å
265	H	95.6	Very high	92.4	Very high	11 Å²	11	41.3 Å²	41.3	5%	0.051	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.2	175.4	-169.8	-36.5	0	0	0	107.5	K26 K57 E250 H267 H268	K26-H265 PolarHBondContact NZ-NE2 3.23Å; K57-H265 HydrophobicContact CD-CB 4.37Å; E250-H265 PolarHBondContact O-ND1 2.75Å; E250-H265 VanDerWaalsContact O-ND1 3.13Å; E250-H265 IonicContact OE1-CD2 2.78Å; E250-H265 IonicContact OE1-CE1 2.95Å; E250-H265 PolarHBondContact OE1-CE1 3Å; E250-H265 IonicContact OE1-ND1 3.46Å; E250-H265 IonicContact OE1-NE2 3.84Å; E250-H265 PolarHBondContact OE1-NE2 3Å; E250-H265 IonicContact OE2-CE1 3.92Å; E250-H265 PolarHBondContact OE2-CE1 3.2Å; E250-H265 IonicContact OE2-ND1 2.68Å; E250-H265 PolarHBondContact OE2-ND1 2.99Å; E250-H265 IonicContact OE2-NE2 2.69Å; H265-H267 AromaticContact CD2-CE1 3.16Å; H265-H267 PolarHBondContact CD2-CE1 3.19Å; H265-H267 AromaticContact CD2-ND1 3.11Å; H265-H267 PolarHBondContact CD2-ND1 3.41Å; H265-H267 AromaticContact CE1-CE1 3.73Å; H265-H267 AromaticContact CE1-CG 3.83Å; H265-H267 AromaticContact CE1-ND1 2.93Å; H265-H267 PolarHBondContact CE1-ND1 3.2Å; H265-H267 AromaticContact CG-CE1 3.45Å; H265-H267 VanDerWaalsContact CG-CE1 3.45Å; H265-H267 AromaticContact CG-ND1 3.03Å; H265-H267 AromaticContact ND1-CE1 3.85Å; H265-H267 AromaticContact ND1-CG 3.98Å; H265-H267 AromaticContact ND1-ND1 2.98Å; H265-H267 PolarHBondContact ND1-ND1 3.33Å; H265-H267 AromaticContact NE2-CE1 3.3Å; H265-H267 PolarHBondContact NE2-CE1 3.12Å; H265-H267 VanDerWaalsContact NE2-CE1 3.3Å; H265-H267 AromaticContact NE2-ND1 3Å; H265-H267 PolarHBondContact NE2-ND1 3.4Å; H265-H267 PolarHBondContact O-N 3.04Å; H265-H267 VanDerWaalsContact O-N 3.1Å; H265-H268 WeakPolarHBondContact O-CB 3.5Å; H265-H268 PolarHBondContact O-N 3.34Å
266	R	94.4	Very high	92	Very high	18 Å²	18	43.9 Å²	43.9	7%	0.068	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-44.8	-44.7	179.5	-73.5	-176.3	83.4	81	2.4	113.9	F241 G247 V249 E250 H268 L269 L271 R272	F241-R266 HydrophobicContact CD1-CG 3.61Å; F241-R266 VanDerWaalsContact CD1-NH1 3.26Å; F241-R266 HydrophobicContact CE1-CG 3.71Å; F241-R266 HydrophobicContact CG-CG 4.12Å; F241-R266 HydrophobicContact CZ-CG 4.35Å; F241-R266 VanDerWaalsContact O-CZ 3.23Å; F241-R266 PolarHBondContact O-NH1 2.98Å; F241-R266 PolarHBondContact O-NH2 3.13Å; G247-R266 PolarHBondContact O-NH1 3.09Å; V249-R266 WeakPolarHBondContact O-CD 3.31Å; V249-R266 WeakPolarHBondContact O-CG 3.43Å; E250-R266 WeakPolarHBondContact O-CG 3.24Å; E250-R266 PolarHBondContact O-N 2.68Å; R266-H268 PolarHBondContact O-N 2.96Å; R266-L269 WeakPolarHBondContact O-CA 3.5Å; R266-L269 WeakPolarHBondContact O-CB 3.41Å; R266-L269 PolarHBondContact O-N 3.33Å; R266-L271 CarbonylContact C-O 3.38Å; R266-L271 HydrophobicContact CB-CB 4.12Å; R266-L271 WeakPolarHBondContact O-CB 3.38Å; R266-L271 PolarHBondContact O-N 2.91Å; R266-R272 WeakPolarHBondContact CD-O 3.28Å; R266-R272 PolarHBondContact NE-O 3.26Å
267	H	93.3	Very high	91.6	Very high	33 Å²	33	45.9 Å²	45.9	15%	0.153	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-66.3	-22.7	-178.4	81.3	-72.3	0	0	0	114	K26 H265 L269 G270 L271	K26-H267 HydrophobicContact CB-CB 4.25Å; K26-H267 HydrophobicContact CD-CB 4.46Å; H265-H267 AromaticContact CD2-CE1 3.16Å; H265-H267 PolarHBondContact CD2-CE1 3.19Å; H265-H267 AromaticContact CD2-ND1 3.11Å; H265-H267 PolarHBondContact CD2-ND1 3.41Å; H265-H267 AromaticContact CE1-CE1 3.73Å; H265-H267 AromaticContact CE1-CG 3.83Å; H265-H267 AromaticContact CE1-ND1 2.93Å; H265-H267 PolarHBondContact CE1-ND1 3.2Å; H265-H267 AromaticContact CG-CE1 3.45Å; H265-H267 VanDerWaalsContact CG-CE1 3.45Å; H265-H267 AromaticContact CG-ND1 3.03Å; H265-H267 AromaticContact ND1-CE1 3.85Å; H265-H267 AromaticContact ND1-CG 3.98Å; H265-H267 AromaticContact ND1-ND1 2.98Å; H265-H267 PolarHBondContact ND1-ND1 3.33Å; H265-H267 AromaticContact NE2-CE1 3.3Å; H265-H267 PolarHBondContact NE2-CE1 3.12Å; H265-H267 VanDerWaalsContact NE2-CE1 3.3Å; H265-H267 AromaticContact NE2-ND1 3Å; H265-H267 PolarHBondContact NE2-ND1 3.4Å; H265-H267 PolarHBondContact O-N 3.04Å; H265-H267 VanDerWaalsContact O-N 3.1Å; H267-L269 PolarHBondContact O-N 3.19Å; H267-G270 PolarHBondContact O-N 2.91Å; H267-L271 VanDerWaalsContact CA-O 3.25Å; H267-L271 WeakPolarHBondContact CA-O 3.3Å; H267-L271 PolarHBondContact N-O 2.83Å
268	H	95.1	Very high	91.7	Very high	22 Å²	22	40.2 Å²	40.2	10%	0.102	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-65.9	-28.3	171.5	-64.9	169.6	0	0	0	111.1	C13 V35 A36 L264 H265 R266 G270	C13-H268 PolarHBondContact SG-ND1 3.44Å; V35-H268 CarbonylContact C-O 3.42Å; V35-H268 VanDerWaalsContact CA-O 3.26Å; V35-H268 WeakPolarHBondContact CA-O 3.42Å; V35-H268 WeakPolarHBondContact CB-O 3.38Å; A36-H268 HydrophobicContact CB-CB 3.99Å; A36-H268 PolarHBondContact N-O 3.06Å; L264-H268 HydrophobicContact CD1-CB 4.1Å; H265-H268 WeakPolarHBondContact O-CB 3.5Å; H265-H268 PolarHBondContact O-N 3.34Å; R266-H268 PolarHBondContact O-N 2.96Å; H268-G270 PolarHBondContact O-N 3.08Å
269	L	95	Very high	91.9	Very high	13 Å²	13	37.4 Å²	37.4	7%	0.068	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-85.8	9.1	172.2	-55.4	178.1	0	0	0	112.4	A36 Y234 C238 F241 L264 R266 H267 L271	A36-L269 HydrophobicContact CB-CD2 4.28Å; Y234-L269 HydrophobicContact CD2-CD2 3.85Å; Y234-L269 HydrophobicContact CE1-CD2 4.43Å; Y234-L269 HydrophobicContact CE2-CD2 3.41Å; Y234-L269 VanDerWaalsContact CE2-CD2 3.41Å; C238-L269 HydrophobicContact CB-CD1 4.34Å; F241-L269 HydrophobicContact CD2-CD1 3.45Å; F241-L269 VanDerWaalsContact CD2-CD1 3.45Å; F241-L269 HydrophobicContact CE2-CD1 3.81Å; L264-L269 HydrophobicContact CD1-CD2 4.21Å; L264-L269 HydrophobicContact CD1-CG 4.24Å; L264-L269 HydrophobicContact CD2-CD1 4.12Å; L264-L269 HydrophobicContact CD2-CD2 4.41Å; L264-L269 HydrophobicContact CD2-CG 4.42Å; R266-L269 WeakPolarHBondContact O-CA 3.5Å; R266-L269 WeakPolarHBondContact O-CB 3.41Å; R266-L269 PolarHBondContact O-N 3.33Å; H267-L269 PolarHBondContact O-N 3.19Å; L269-L271 HydrophobicContact CB-CD1 4.23Å; L269-L271 HydrophobicContact CB-CG 4.11Å; L269-L271 HydrophobicContact CD1-CD1 4.37Å; L269-L271 PolarHBondContact O-N 3.05Å
270	G	91.3	Very high	92.2	Very high	6 Å²	6	36.7 Å²	36.7	6%	0.062	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	14	-172.7	0	0	0	0	0	113.8	R25 H267 H268	R25-G270 WeakPolarHBondContact CD-O 3.45Å; R25-G270 PolarHBondContact NH1-O 3.47Å; H267-G270 PolarHBondContact O-N 2.91Å; H268-G270 PolarHBondContact O-N 3.08Å
271	L	92.5	Very high	92.2	Very high	19 Å²	19	35.9 Å²	35.9	10%	0.099	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-88.3	147.5	177.9	-57	176	0	0	0	110.7	F241 Q242 R266 H267 L269	F241-L271 HydrophobicContact CB-CD1 3.53Å; F241-L271 HydrophobicContact CG-CD1 4.37Å; Q242-L271 HydrophobicContact CG-CD1 3.85Å; Q242-L271 HydrophobicContact CG-CD2 3.7Å; Q242-L271 HydrophobicContact CG-CG 4.45Å; R266-L271 CarbonylContact C-O 3.38Å; R266-L271 HydrophobicContact CB-CB 4.12Å; R266-L271 WeakPolarHBondContact O-CB 3.38Å; R266-L271 PolarHBondContact O-N 2.91Å; H267-L271 VanDerWaalsContact CA-O 3.25Å; H267-L271 WeakPolarHBondContact CA-O 3.3Å; H267-L271 PolarHBondContact N-O 2.83Å; L269-L271 HydrophobicContact CB-CD1 4.23Å; L269-L271 HydrophobicContact CB-CG 4.11Å; L269-L271 HydrophobicContact CD1-CD1 4.37Å; L269-L271 PolarHBondContact O-N 3.05Å
272	R	91	Very high	92.2	Very high	192 Å²	192	37.3 Å²	37.3	73%	0.725	20%	0.197	S	C	*	.	P	Polyproline II helix	trans	-75.6	173.6	171.9	-65.6	-177.4	-179.4	176.4	0.2	110.5	R266	R266-R272 WeakPolarHBondContact CD-O 3.28Å; R266-R272 PolarHBondContact NE-O 3.26Å
273	W	90.6	Very high	92.1	Very high	74 Å²	74	39.1 Å²	39.1	28%	0.28	20%	0.204	S	C	.	.	S	Bend	trans	-49.6	146.7	164.7	-170.8	-95.3	0	0	0	110	D59 P205 Y206 E250 D275 T278	D59-W273 HydrophobicContact CB-CH2 3.75Å; D59-W273 HydrophobicContact CB-CZ3 3.71Å; P205-W273 HydrophobicContact CB-CD2 4.37Å; P205-W273 HydrophobicContact CB-CE3 4.46Å; P205-W273 HydrophobicContact CB-CH2 3.52Å; P205-W273 HydrophobicContact CB-CZ2 3.45Å; P205-W273 VanDerWaalsContact CB-CZ2 3.45Å; P205-W273 HydrophobicContact CB-CZ3 4.01Å; P205-W273 HydrophobicContact CG-CH2 3.9Å; P205-W273 HydrophobicContact CG-CZ2 4.24Å; P205-W273 HydrophobicContact CG-CZ3 4.41Å; Y206-W273 HydrophobicContact CE1-CZ2 4.4Å; E250-W273 HydrophobicContact CB-CE3 4.29Å; E250-W273 HydrophobicContact CB-CH2 3.62Å; E250-W273 HydrophobicContact CB-CZ2 4.47Å; E250-W273 HydrophobicContact CB-CZ3 3.54Å; E250-W273 VanDerWaalsContact CD-CE3 3.46Å; E250-W273 HydrophobicContact CG-CE3 4.36Å; E250-W273 HydrophobicContact CG-CH2 4.1Å; E250-W273 HydrophobicContact CG-CZ3 3.59Å; E250-W273 WeakPolarHBondContact OE1-CZ3 3.35Å; E250-W273 VanDerWaalsContact OE2-CE3 3.22Å; E250-W273 WeakPolarHBondContact OE2-CZ3 3.42Å; W273-D275 PolarHBondContact O-N 2.93Å; W273-T278 HydrophobicContact CZ2-CG2 3.74Å
274	P	90.8	Very high	92.1	Very high	7 Å²	7	38.6 Å²	38.6	5%	0.045	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-51.7	138.1	178.1	-26.7	34.9	0	0	0	112.7	R248 T278	R248-P274 HydrophobicContact CB-CB 4.12Å; P274-T278 HydrophobicContact CB-CG2 4.48Å; P274-T278 HydrophobicContact CG-CG2 4.35Å
275	D	82.6	Confident	92	Very high	144 Å²	144	38.6 Å²	38.6	77%	0.77	21%	0.205	S	C	*	.	S	Bend	trans	-76	132.9	170.7	-65.5	-43	0	0	0	109.7	W273	W273-D275 PolarHBondContact O-N 2.93Å
276	G	84.2	Confident	92.1	Very high	64 Å²	64	38.7 Å²	38.7	66%	0.66	21%	0.206	S	C	*	.	S	Bend	trans	78.1	-159	-178.4	0	0	0	0	0	114.3	T278	G276-T278 PolarHBondContact O-N 2.69Å
277	D	86.3	Confident	92.3	Very high	49 Å²	49	37.8 Å²	37.8	26%	0.262	20%	0.203	S	C	.	.	S	Bend	trans	-68.2	129.4	-179.6	-72	-22.6	0	0	0	110.5	N281 A282 R317 Q319	D277-N281 HydrophobicContact CB-CB 4.43Å; D277-A282 HydrophobicContact CB-CB 4.25Å; D277-R317 WeakPolarHBondContact OD2-CD 3.34Å; D277-R317 IonicContact OD2-CZ 2.87Å; D277-R317 IonicContact OD2-NH1 2.92Å; D277-R317 PolarHBondContact OD2-NH1 3.04Å; D277-Q319 PolarHBondContact OD1-NE2 3.25Å; D277-Q319 PolarHBondContact OD2-NE2 3.45Å
278	T	93.1	Very high	92.3	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.213	C	C	.	.			trans	-65.7	160.7	169.4	64.4	0	0	0	0	111	R248 W273 P274 G276 L280 N281 A282	R248-T278 CarbonylContact O-C 3.58Å; R248-T278 WeakPolarHBondContact O-CA 3.26Å; R248-T278 WeakPolarHBondContact O-CB 3.24Å; W273-T278 HydrophobicContact CZ2-CG2 3.74Å; P274-T278 HydrophobicContact CB-CG2 4.48Å; P274-T278 HydrophobicContact CG-CG2 4.35Å; G276-T278 PolarHBondContact O-N 2.69Å; T278-L280 VanDerWaalsContact C-N 3.26Å; T278-L280 PolarHBondContact O-N 3.35Å; T278-N281 PolarHBondContact O-N 3.47Å; T278-N281 VanDerWaalsContact O-N 3.13Å; T278-N281 WeakPolarHBondContact OG1-CB 3.36Å; T278-N281 VanDerWaalsContact OG1-CG 3.23Å; T278-N281 PolarHBondContact OG1-N 2.74Å; T278-N281 PolarHBondContact OG1-ND2 2.98Å; T278-A282 WeakPolarHBondContact O-CB 3.39Å; T278-A282 PolarHBondContact O-N 3.36Å
279	I	91.9	Very high	92.2	Very high	32 Å²	32	39 Å²	39	16%	0.164	21%	0.209	C	C	.	.	H	α-helix	trans	-53.5	-44.4	173.9	-80.7	-87.2	0	0	0	111.3	Q245 E246 R248 V249 A282 R283	Q245-I279 WeakPolarHBondContact O-CD1 3.48Å; Q245-I279 WeakPolarHBondContact O-CG1 3.46Å; E246-I279 HydrophobicContact CG-CD1 4.47Å; R248-I279 HydrophobicContact CB-CG1 4.44Å; R248-I279 PolarHBondContact O-N 3.32Å; V249-I279 HydrophobicContact CG1-CB 3.81Å; V249-I279 HydrophobicContact CG1-CG1 4.14Å; V249-I279 HydrophobicContact CG1-CG2 4.37Å; I279-A282 PolarHBondContact O-N 3.39Å; I279-R283 WeakPolarHBondContact O-CG 3.28Å
280	L	93.9	Very high	91.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-44.9	178.3	-171.3	74.3	0	0	0	111.4	L58 L169 L179 I197 Y206 V224 T278 A282 R283 L318	L58-L280 HydrophobicContact CD2-CD2 3.84Å; L169-L280 HydrophobicContact CD2-CD1 4.46Å; L169-L280 HydrophobicContact CD2-CD2 4.33Å; L179-L280 HydrophobicContact CD1-CD1 3.82Å; L179-L280 HydrophobicContact CD1-CG 4.28Å; L179-L280 WeakPolarHBondContact CD1-O 3.34Å; L179-L280 HydrophobicContact CD2-CD1 4.27Å; I197-L280 HydrophobicContact CD1-CD2 4.07Å; Y206-L280 HydrophobicContact CD1-CB 4.44Å; Y206-L280 HydrophobicContact CD1-CD2 3.9Å; Y206-L280 HydrophobicContact CE1-CB 4.33Å; Y206-L280 HydrophobicContact CE1-CD2 3.89Å; V224-L280 HydrophobicContact CG1-CD1 4.24Å; V224-L280 HydrophobicContact CG2-CD1 4.19Å; T278-L280 VanDerWaalsContact C-N 3.26Å; T278-L280 PolarHBondContact O-N 3.35Å; L280-A282 PolarHBondContact O-N 2.78Å; L280-R283 PolarHBondContact O-N 3.39Å; L280-L318 HydrophobicContact CD2-CD2 4.38Å; L280-L318 HydrophobicContact CG-CD2 4.42Å
281	N	91.9	Very high	90.5	Very high	6 Å²	6	43 Å²	43	3%	0.032	24%	0.235	C	C	.	.	H	α-helix	trans	-67.4	-36.6	-178.5	-72.4	-3.3	0	0	0	113.2	Y206 D277 T278 R283 R317 L318	Y206-N281 WeakPolarHBondContact CA-ND2 3.23Å; Y206-N281 VanDerWaalsContact CA-OD1 3.3Å; Y206-N281 WeakPolarHBondContact CA-OD1 3.43Å; Y206-N281 VanDerWaalsContact CB-OD1 3.28Å; Y206-N281 WeakPolarHBondContact CB-OD1 3.4Å; Y206-N281 WeakPolarHBondContact CD1-OD1 3.28Å; Y206-N281 VanDerWaalsContact O-CG 3.24Å; Y206-N281 PolarHBondContact O-ND2 2.85Å; Y206-N281 VanDerWaalsContact O-ND2 3.13Å; Y206-N281 PolarHBondContact O-OD1 2.68Å; D277-N281 HydrophobicContact CB-CB 4.43Å; T278-N281 PolarHBondContact O-N 3.47Å; T278-N281 VanDerWaalsContact O-N 3.13Å; T278-N281 WeakPolarHBondContact OG1-CB 3.36Å; T278-N281 VanDerWaalsContact OG1-CG 3.23Å; T278-N281 PolarHBondContact OG1-N 2.74Å; T278-N281 PolarHBondContact OG1-ND2 2.98Å; N281-R283 PolarHBondContact O-N 3.26Å; N281-R317 WeakPolarHBondContact O-CA 3.2Å; N281-R317 VanDerWaalsContact O-CB 3.22Å; N281-R317 WeakPolarHBondContact O-CB 3.32Å; N281-L318 PolarHBondContact O-N 2.8Å; N281-L318 VanDerWaalsContact O-N 3.12Å
282	A	92	Very high	89	Confident	46 Å²	46	47.6 Å²	47.6	38%	0.38	26%	0.264	S	S	.	.	H	α-helix	trans	-74.2	-12.1	-175.7	0	0	0	0	0	113.4	D277 T278 I279 L280	D277-A282 HydrophobicContact CB-CB 4.25Å; T278-A282 WeakPolarHBondContact O-CB 3.39Å; T278-A282 PolarHBondContact O-N 3.36Å; I279-A282 PolarHBondContact O-N 3.39Å; L280-A282 PolarHBondContact O-N 2.78Å
283	R	93.4	Very high	87.3	Confident	38 Å²	38	42.4 Å²	42.4	14%	0.143	25%	0.25	C	C	.	.	S	Bend	trans	-75.2	141.4	178.5	-71.8	176.6	-144.9	-158.3	6.7	111.1	L179 I279 L280 N281 S316 R317	L179-R283 HydrophobicContact CD1-CB 3.81Å; L179-R283 HydrophobicContact CG-CB 3.88Å; I279-R283 WeakPolarHBondContact O-CG 3.28Å; L280-R283 PolarHBondContact O-N 3.39Å; N281-R283 PolarHBondContact O-N 3.26Å; R283-S316 CarbonylContact C-O 3.5Å; R283-R317 WeakPolarHBondContact O-CA 3.29Å
284	P	96.6	Very high	85.7	Confident	35 Å²	35	44.5 Å²	44.5	23%	0.227	26%	0.258	C	S	.	.			trans	-61.3	150.3	168.4	28.2	-34.1	0	0	0	110.1	D177 L178 L179 F315 S316	D177-P284 WeakPolarHBondContact O-CD 3.38Å; L178-P284 HydrophobicContact CD1-CB 3.92Å; L178-P284 HydrophobicContact CD1-CG 4.01Å; L179-P284 PolarHBondContact N-O 3.37Å; P284-F315 VanDerWaalsContact CA-O 3.29Å; P284-F315 WeakPolarHBondContact CA-O 3.44Å; P284-S316 VanDerWaalsContact CA-O 3.29Å; P284-S316 WeakPolarHBondContact CA-O 3.29Å
285	V	97.5	Very high	83.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.8	-179.9	62.1	0	0	0	0	110.7	L169 L179 I181 R314 F315 L318 I321	L169-V285 HydrophobicContact CD1-CG2 4.25Å; L179-V285 HydrophobicContact CB-CB 4.14Å; L179-V285 HydrophobicContact CB-CG2 4.07Å; L179-V285 CarbonylContact O-C 3.48Å; L179-V285 VanDerWaalsContact O-CA 3.24Å; L179-V285 WeakPolarHBondContact O-CA 3.24Å; I181-V285 HydrophobicContact CD1-CG2 4.37Å; I181-V285 HydrophobicContact CG1-CG2 4.03Å; V285-R314 CarbonylContact O-C 3.58Å; V285-R314 WeakPolarHBondContact O-CA 3.39Å; V285-F315 HydrophobicContact CG1-CB 3.81Å; V285-F315 HydrophobicContact CG1-CD2 4.31Å; V285-F315 HydrophobicContact CG1-CG 4.48Å; V285-F315 PolarHBondContact N-O 3.24Å; V285-F315 PolarHBondContact O-N 2.75Å; V285-L318 HydrophobicContact CB-CD1 4.48Å; V285-L318 HydrophobicContact CG1-CD1 4.41Å; V285-L318 HydrophobicContact CG2-CD1 4.23Å; V285-I321 HydrophobicContact CG1-CD1 3.94Å; V285-I321 HydrophobicContact CG1-CG1 4.07Å; V285-I321 HydrophobicContact CG2-CD1 4.48Å
286	V	97.4	Very high	82.4	Confident	13 Å²	13	48.3 Å²	48.3	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.7	168.7	64	0	0	0	0	109.8	L178 L179 E180 I181 H288 H313	L178-V286 HydrophobicContact CD2-CG1 4.05Å; L178-V286 HydrophobicContact CG-CG1 4.33Å; L179-V286 PolarHBondContact O-N 2.89Å; E180-V286 VanDerWaalsContact CA-O 3.28Å; E180-V286 WeakPolarHBondContact CA-O 3.25Å; E180-V286 HydrophobicContact CB-CG1 3.84Å; I181-V286 PolarHBondContact N-O 3.32Å; V286-H288 WeakPolarHBondContact CG2-NE2 3.25Å; V286-H313 WeakPolarHBondContact CA-O 3.46Å
287	V	97.1	Very high	80.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.1	174.9	179.8	0	0	0	0	108.9	V289 L307 L310 N311 G312 H313 F315 I321	V287-V289 HydrophobicContact CG1-CB 4.35Å; V287-V289 HydrophobicContact CG1-CG2 3.98Å; V287-L307 HydrophobicContact CG1-CB 4.21Å; V287-L307 HydrophobicContact CG1-CD2 4.1Å; V287-L307 WeakPolarHBondContact CG1-O 3.41Å; V287-L307 HydrophobicContact CG2-CD2 4.42Å; V287-L310 HydrophobicContact CB-CB 4.25Å; V287-L310 WeakPolarHBondContact CB-O 3.49Å; V287-L310 HydrophobicContact CG1-CB 4.14Å; V287-L310 HydrophobicContact CG2-CB 4.39Å; V287-N311 CarbonylContact O-C 3.56Å; V287-G312 PolarHBondContact O-N 3.07Å; V287-H313 PolarHBondContact N-O 2.87Å; V287-F315 HydrophobicContact CG2-CD2 4.42Å; V287-F315 HydrophobicContact CG2-CE2 3.98Å; V287-I321 HydrophobicContact CG2-CD1 4.45Å
288	H	95.1	Very high	79	Confident	80 Å²	80	54 Å²	54	37%	0.37	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	71.3	178.2	-75.2	-51.4	0	0	0	110.3	I181 T182 V286 N311	I181-H288 PolarHBondContact O-N 3Å; T182-H288 VanDerWaalsContact CA-O 3.24Å; T182-H288 WeakPolarHBondContact CA-O 3.23Å; T182-H288 WeakPolarHBondContact CB-O 3.48Å; T182-H288 PolarHBondContact OG1-O 2.83Å; V286-H288 WeakPolarHBondContact CG2-NE2 3.25Å; H288-N311 VanDerWaalsContact CA-OD1 3.32Å; H288-N311 WeakPolarHBondContact CA-OD1 3.4Å
289	V	92.1	Very high	76.6	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.006	32%	0.316	C	S	.	.			trans	-116.6	95.8	179.4	177.9	0	0	0	0	107	L167 I181 M183 V287 G291 L307 S308 N311	L167-V289 HydrophobicContact CD2-CG1 4.39Å; L167-V289 HydrophobicContact CD2-CG2 3.91Å; I181-V289 HydrophobicContact CG2-CG2 4.4Å; M183-V289 HydrophobicContact CG-CB 4.48Å; M183-V289 HydrophobicContact CG-CG1 3.94Å; M183-V289 HydrophobicContact CG-CG2 4.43Å; M183-V289 HydrophobicContact SD-CB 4.5Å; M183-V289 HydrophobicContact SD-CG1 3.64Å; V287-V289 HydrophobicContact CG1-CB 4.35Å; V287-V289 HydrophobicContact CG1-CG2 3.98Å; V289-G291 PolarHBondContact O-N 3.12Å; V289-L307 HydrophobicContact CB-CB 4.07Å; V289-L307 HydrophobicContact CG1-CB 4.14Å; V289-L307 HydrophobicContact CG2-CB 3.82Å; V289-L307 HydrophobicContact CG2-CD1 4.45Å; V289-S308 VanDerWaalsContact O-CA 3.31Å; V289-S308 WeakPolarHBondContact O-CA 3.49Å; V289-N311 PolarHBondContact N-OD1 2.87Å; V289-N311 WeakPolarHBondContact O-CB 3.17Å; V289-N311 PolarHBondContact O-OD1 3.14Å
290	D	83.2	Confident	74.9	Confident	75 Å²	75	59.5 Å²	59.5	40%	0.401	32%	0.32	S	S	.	.			trans	-78	113.2	-176.8	-168.4	-16.3	0	0	0	110.6	T292	D290-T292 PolarHBondContact O-N 3.36Å; D290-T292 WeakPolarHBondContact OD1-CB 3.44Å; D290-T292 VanDerWaalsContact OD1-CG2 3.26Å; D290-T292 WeakPolarHBondContact OD1-CG2 3.22Å; D290-T292 PolarHBondContact OD1-N 3.32Å; D290-T292 PolarHBondContact OD1-OG1 3.13Å; D290-T292 PolarHBondContact OD2-OG1 3.47Å; D290-T292 VanDerWaalsContact OD2-OG1 3.09Å
291	G	67.4	Low	73.4	Confident	28 Å²	28	69.4 Å²	69.4	29%	0.289	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-70.6	-1.9	177	0	0	0	0	0	114.2	V289 I293	V289-G291 PolarHBondContact O-N 3.12Å; G291-I293 VanDerWaalsContact C-N 3.26Å; G291-I293 PolarHBondContact O-N 3.49Å
292	T	60.8	Low	73.1	Confident	114 Å²	114	72.1 Å²	72.1	70%	0.699	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-75.5	-11.6	178.4	58.4	0	0	0	0	114	D290 R294	D290-T292 PolarHBondContact O-N 3.36Å; D290-T292 WeakPolarHBondContact OD1-CB 3.44Å; D290-T292 VanDerWaalsContact OD1-CG2 3.26Å; D290-T292 WeakPolarHBondContact OD1-CG2 3.22Å; D290-T292 PolarHBondContact OD1-N 3.32Å; D290-T292 PolarHBondContact OD1-OG1 3.13Å; D290-T292 PolarHBondContact OD2-OG1 3.47Å; D290-T292 VanDerWaalsContact OD2-OG1 3.09Å; T292-R294 PolarHBondContact O-N 3.24Å
293	I	56.5	Low	73.1	Confident	83 Å²	83	70.8 Å²	70.8	43%	0.426	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-67.4	-21.6	-179.4	-64.8	170.8	0	0	0	111.6	A163 M183 G291	A163-I293 HydrophobicContact CB-CG2 4.05Å; M183-I293 HydrophobicContact CE-CB 4.28Å; M183-I293 HydrophobicContact CE-CD1 3.5Å; M183-I293 VanDerWaalsContact CE-CD1 3.5Å; M183-I293 HydrophobicContact CE-CG1 4.44Å; M183-I293 HydrophobicContact CE-CG2 4.28Å; M183-I293 HydrophobicContact SD-CD1 3.99Å; G291-I293 VanDerWaalsContact C-N 3.26Å; G291-I293 PolarHBondContact O-N 3.49Å
294	R	55.6	Low	73	Confident	119 Å²	119	69.4 Å²	69.4	45%	0.449	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.4	152.7	163	-62.8	-174.7	84.6	166.6	5.5	108.6	D162 T292 Y296	D162-R294 IonicContact OD2-CZ 3.54Å; D162-R294 IonicContact OD2-NH1 3.15Å; D162-R294 PolarHBondContact OD2-NH1 3.43Å; T292-R294 PolarHBondContact O-N 3.24Å; R294-Y296 HydrophobicContact CB-CD2 4.16Å; R294-Y296 HydrophobicContact CB-CE1 4.45Å; R294-Y296 HydrophobicContact CB-CE2 4.08Å; R294-Y296 HydrophobicContact CB-CG 4.4Å; R294-Y296 VanDerWaalsContact O-CD2 3.29Å; R294-Y296 WeakPolarHBondContact O-CD2 3.38Å; R294-Y296 PolarHBondContact O-N 3.32Å
295	E	51.3	Low	72.7	Confident	204 Å²	204	67.9 Å²	67.9	95%	0.953	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	80.1	155.1	-74.4	179	177.2	0	0	107.5	D297	E295-D297 PolarHBondContact O-N 3.5Å
296	Y	54.3	Low	72.4	Confident	26 Å²	26	69.2 Å²	69.2	10%	0.102	36%	0.358	C	S	.	.			trans	-57.9	123.1	172.3	-73.9	-78.6	0	0	0	105.9	D160 R294 I298 F304	D160-Y296 PolarHBondContact OD2-OH 3.33Å; R294-Y296 HydrophobicContact CB-CD2 4.16Å; R294-Y296 HydrophobicContact CB-CE1 4.45Å; R294-Y296 HydrophobicContact CB-CE2 4.08Å; R294-Y296 HydrophobicContact CB-CG 4.4Å; R294-Y296 VanDerWaalsContact O-CD2 3.29Å; R294-Y296 WeakPolarHBondContact O-CD2 3.38Å; R294-Y296 PolarHBondContact O-N 3.32Å; Y296-I298 PolarHBondContact O-N 2.96Å; Y296-F304 HydrophobicContact CE1-CB 4.34Å
297	D	48.6	Very low	72.2	Confident	98 Å²	98	68.6 Å²	68.6	52%	0.524	36%	0.355	S	S	.	.			trans	-58.1	112.2	173.9	-174.2	-15.7	0	0	0	106.5	E295 T299 S300	E295-D297 PolarHBondContact O-N 3.5Å; D297-T299 PolarHBondContact O-N 2.85Å; D297-T299 VanDerWaalsContact OD1-CB 3.3Å; D297-T299 WeakPolarHBondContact OD1-CB 3.21Å; D297-T299 WeakPolarHBondContact OD1-CG2 3.36Å; D297-T299 PolarHBondContact OD1-N 2.92Å; D297-T299 PolarHBondContact OD1-OG1 3.3Å; D297-T299 PolarHBondContact OD2-OG1 3.12Å; D297-T299 VanDerWaalsContact OD2-OG1 3.05Å; D297-S300 VanDerWaalsContact O-CB 3.24Å; D297-S300 WeakPolarHBondContact O-CB 3.21Å; D297-S300 PolarHBondContact O-N 3.23Å
298	I	50.1	Low	72	Confident	135 Å²	135	69.9 Å²	69.9	69%	0.692	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-14.8	-178	-61.6	164.2	0	0	0	110.3	Y296	Y296-I298 PolarHBondContact O-N 2.96Å
299	T	42.8	Very low	71.8	Confident	113 Å²	113	71 Å²	71	69%	0.693	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-11.6	173.8	74.9	0	0	0	0	114.3	D297	D297-T299 PolarHBondContact O-N 2.85Å; D297-T299 VanDerWaalsContact OD1-CB 3.3Å; D297-T299 WeakPolarHBondContact OD1-CB 3.21Å; D297-T299 WeakPolarHBondContact OD1-CG2 3.36Å; D297-T299 PolarHBondContact OD1-N 2.92Å; D297-T299 PolarHBondContact OD1-OG1 3.3Å; D297-T299 PolarHBondContact OD2-OG1 3.12Å; D297-T299 VanDerWaalsContact OD2-OG1 3.05Å
300	S	55.1	Low	71.9	Confident	36 Å²	36	71.3 Å²	71.3	25%	0.252	37%	0.371	S	S	.	.			trans	-71.1	132	175.9	109.8	0	0	0	0	110.2	D297 D302 T305	D297-S300 VanDerWaalsContact O-CB 3.24Å; D297-S300 WeakPolarHBondContact O-CB 3.21Å; D297-S300 PolarHBondContact O-N 3.23Å; S300-D302 PolarHBondContact O-N 3.12Å; S300-D302 VanDerWaalsContact OG-CG 3.28Å; S300-D302 PolarHBondContact OG-OD2 3.05Å; S300-T305 PolarHBondContact OG-OG1 3.18Å
301	K	62.8	Low	72.5	Confident	207 Å²	207	71 Å²	71	90%	0.9	37%	0.369	S	S	*	.			trans	-89.2	25.7	179	-62.6	-171.9	177.9	-175.4	0	112.6
302	D	84.8	Confident	73.7	Confident	64 Å²	64	71.9 Å²	71.9	34%	0.342	38%	0.378	S	S	.	.			trans	-82.2	156.4	178.9	75.3	35	0	0	0	112.2	S300 F304 T305 S306	S300-D302 PolarHBondContact O-N 3.12Å; S300-D302 VanDerWaalsContact OG-CG 3.28Å; S300-D302 PolarHBondContact OG-OD2 3.05Å; D302-F304 VanDerWaalsContact C-N 3.31Å; D302-F304 PolarHBondContact O-N 2.83Å; D302-F304 PolarHBondContact OD1-N 3.31Å; D302-T305 PolarHBondContact O-N 3.41Å; D302-T305 VanDerWaalsContact OD1-CB 3.28Å; D302-T305 WeakPolarHBondContact OD1-CB 3.47Å; D302-T305 PolarHBondContact OD1-N 3.12Å; D302-T305 PolarHBondContact OD1-OG1 3.43Å; D302-S306 PolarHBondContact O-N 2.74Å; D302-S306 VanDerWaalsContact O-N 3.11Å; D302-S306 PolarHBondContact O-OG 3.45Å
303	L	92	Very high	75.4	Confident	17 Å²	17	71 Å²	71	9%	0.089	37%	0.365	C	S	.	.	H	α-helix	trans	-67.8	-31.6	-172.3	-179	59.3	0	0	0	112.5	L167 V215 H216 S306 L307 F323	L167-L303 HydrophobicContact CD1-CB 4.29Å; L167-L303 HydrophobicContact CD1-CD2 3.76Å; L167-L303 HydrophobicContact CD1-CG 3.73Å; V215-L303 HydrophobicContact CG2-CD1 4.42Å; H216-L303 HydrophobicContact CB-CD2 4.32Å; H216-L303 VanDerWaalsContact O-CD2 3.22Å; H216-L303 WeakPolarHBondContact O-CD2 3.38Å; L303-S306 PolarHBondContact O-N 3.29Å; L303-L307 HydrophobicContact CD1-CD1 4.01Å; L303-L307 HydrophobicContact CD1-CG 4.1Å; L303-L307 HydrophobicContact CG-CD1 3.94Å; L303-L307 HydrophobicContact CG-CG 4.46Å; L303-L307 WeakPolarHBondContact O-CB 3.42Å; L303-L307 WeakPolarHBondContact O-CG 3.1Å; L303-L307 PolarHBondContact O-N 3.44Å; L303-F323 HydrophobicContact CD1-CE2 4.45Å; L303-F323 HydrophobicContact CD1-CZ 3.82Å
304	F	92.6	Very high	77.3	Confident	9 Å²	9	75 Å²	75	4%	0.039	38%	0.375	C	S	.	.	H	α-helix	trans	-63.7	-47.5	176.1	-75.9	-99.5	0	0	0	110.5	D160 V165 L167 M183 Y296 D302 S306 L307 S308	D160-F304 HydrophobicContact CB-CE1 4.3Å; D160-F304 HydrophobicContact CB-CE2 4.24Å; D160-F304 HydrophobicContact CB-CZ 4.01Å; V165-F304 HydrophobicContact CG2-CE1 4.04Å; L167-F304 HydrophobicContact CD1-CD1 4.31Å; L167-F304 HydrophobicContact CD1-CD2 3.9Å; L167-F304 HydrophobicContact CD1-CE1 4.28Å; L167-F304 HydrophobicContact CD1-CE2 3.86Å; L167-F304 HydrophobicContact CD1-CG 4.14Å; L167-F304 HydrophobicContact CD1-CZ 4.07Å; L167-F304 HydrophobicContact CD2-CD1 3.85Å; L167-F304 HydrophobicContact CD2-CE1 3.81Å; L167-F304 HydrophobicContact CD2-CG 4.41Å; L167-F304 HydrophobicContact CD2-CZ 4.34Å; L167-F304 HydrophobicContact CG-CD1 3.95Å; L167-F304 HydrophobicContact CG-CD2 4.27Å; L167-F304 HydrophobicContact CG-CE1 3.59Å; L167-F304 HydrophobicContact CG-CE2 3.93Å; L167-F304 HydrophobicContact CG-CG 4.28Å; L167-F304 HydrophobicContact CG-CZ 3.6Å; M183-F304 HydrophobicContact CE-CD1 4.13Å; M183-F304 HydrophobicContact CE-CE1 4.23Å; M183-F304 HydrophobicContact CG-CD1 4.28Å; M183-F304 HydrophobicContact CG-CE1 4.23Å; M183-F304 HydrophobicContact SD-CD1 4.28Å; Y296-F304 HydrophobicContact CE1-CB 4.34Å; D302-F304 VanDerWaalsContact C-N 3.31Å; D302-F304 PolarHBondContact O-N 2.83Å; D302-F304 PolarHBondContact OD1-N 3.31Å; F304-S306 PolarHBondContact O-N 3.16Å; F304-L307 PolarHBondContact O-N 2.92Å; F304-S308 WeakPolarHBondContact O-CB 3.49Å; F304-S308 PolarHBondContact O-N 3.33Å
305	T	89.6	Confident	79.3	Confident	3 Å²	3	71 Å²	71	2%	0.018	36%	0.361	C	S	.	.	H	α-helix	trans	-59.6	-47.9	176.9	-54.4	0	0	0	0	110.5	S300 D302 L307 S308 Q309	S300-T305 PolarHBondContact OG-OG1 3.18Å; D302-T305 PolarHBondContact O-N 3.41Å; D302-T305 VanDerWaalsContact OD1-CB 3.28Å; D302-T305 WeakPolarHBondContact OD1-CB 3.47Å; D302-T305 PolarHBondContact OD1-N 3.12Å; D302-T305 PolarHBondContact OD1-OG1 3.43Å; T305-L307 PolarHBondContact O-N 3.35Å; T305-S308 PolarHBondContact O-N 3.46Å; T305-S308 PolarHBondContact O-OG 3.47Å; T305-Q309 PolarHBondContact O-N 2.79Å
306	S	91.1	Very high	81.4	Confident	29 Å²	29	65.7 Å²	65.7	20%	0.203	35%	0.347	C	S	.	.	H	α-helix	trans	-62.7	-41.7	179.4	-56.5	0	0	0	0	112.8	D302 L303 F304 Q309 F323	D302-S306 PolarHBondContact O-N 2.74Å; D302-S306 VanDerWaalsContact O-N 3.11Å; D302-S306 PolarHBondContact O-OG 3.45Å; L303-S306 PolarHBondContact O-N 3.29Å; F304-S306 PolarHBondContact O-N 3.16Å; S306-Q309 PolarHBondContact O-N 2.77Å; S306-F323 VanDerWaalsContact C-CE1 3.48Å; S306-F323 VanDerWaalsContact CB-CD1 3.5Å; S306-F323 VanDerWaalsContact CB-CE1 3.42Å; S306-F323 WeakPolarHBondContact O-CD1 3.4Å; S306-F323 WeakPolarHBondContact O-CE1 3.36Å
307	L	93.8	Very high	83.3	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-72.4	-29.7	177.2	-73.6	168.6	0	0	0	112.9	L167 I181 V287 V289 L303 F304 T305 Q309 L310 N311 F323	L167-L307 HydrophobicContact CD1-CD1 3.77Å; L167-L307 HydrophobicContact CD2-CD1 3.92Å; L167-L307 HydrophobicContact CG-CD1 4.42Å; I181-L307 HydrophobicContact CG2-CD1 3.99Å; V287-L307 HydrophobicContact CG1-CB 4.21Å; V287-L307 HydrophobicContact CG1-CD2 4.1Å; V287-L307 WeakPolarHBondContact CG1-O 3.41Å; V287-L307 HydrophobicContact CG2-CD2 4.42Å; V289-L307 HydrophobicContact CB-CB 4.07Å; V289-L307 HydrophobicContact CG1-CB 4.14Å; V289-L307 HydrophobicContact CG2-CB 3.82Å; V289-L307 HydrophobicContact CG2-CD1 4.45Å; L303-L307 HydrophobicContact CD1-CD1 4.01Å; L303-L307 HydrophobicContact CD1-CG 4.1Å; L303-L307 HydrophobicContact CG-CD1 3.94Å; L303-L307 HydrophobicContact CG-CG 4.46Å; L303-L307 WeakPolarHBondContact O-CB 3.42Å; L303-L307 WeakPolarHBondContact O-CG 3.1Å; L303-L307 PolarHBondContact O-N 3.44Å; F304-L307 PolarHBondContact O-N 2.92Å; T305-L307 PolarHBondContact O-N 3.35Å; L307-Q309 PolarHBondContact O-N 3.28Å; L307-L310 CarbonylContact O-C 3.49Å; L307-L310 WeakPolarHBondContact O-CA 3.41Å; L307-L310 PolarHBondContact O-N 3.39Å; L307-N311 PolarHBondContact O-N 3.11Å; L307-F323 HydrophobicContact CD2-CE1 3.88Å; L307-F323 HydrophobicContact CD2-CZ 4.07Å; L307-F323 HydrophobicContact CG-CE1 4.05Å; L307-F323 HydrophobicContact CG-CZ 4.23Å
308	S	92.6	Very high	85.4	Confident	26 Å²	26	64 Å²	64	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-30.9	176.8	76.8	0	0	0	0	112.8	V289 F304 T305 L310 N311	V289-S308 VanDerWaalsContact O-CA 3.31Å; V289-S308 WeakPolarHBondContact O-CA 3.49Å; F304-S308 WeakPolarHBondContact O-CB 3.49Å; F304-S308 PolarHBondContact O-N 3.33Å; T305-S308 PolarHBondContact O-N 3.46Å; T305-S308 PolarHBondContact O-OG 3.47Å; S308-L310 PolarHBondContact O-N 2.96Å; S308-N311 WeakPolarHBondContact O-CB 3.48Å; S308-N311 PolarHBondContact O-N 3.15Å; S308-N311 VanDerWaalsContact O-N 3.14Å
309	Q	91.4	Very high	87.4	Confident	104 Å²	104	60.1 Å²	60.1	49%	0.486	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.1	173.9	-66.4	173	-1.8	0	0	112.5	T305 S306 L307	T305-Q309 PolarHBondContact O-N 2.79Å; S306-Q309 PolarHBondContact O-N 2.77Å; L307-Q309 PolarHBondContact O-N 3.28Å
310	L	93.7	Very high	89.9	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.042	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	10	176.8	-57.7	179.3	0	0	0	112.1	V287 L307 S308 G312 H313 F315 I321 F323	V287-L310 HydrophobicContact CB-CB 4.25Å; V287-L310 WeakPolarHBondContact CB-O 3.49Å; V287-L310 HydrophobicContact CG1-CB 4.14Å; V287-L310 HydrophobicContact CG2-CB 4.39Å; L307-L310 CarbonylContact O-C 3.49Å; L307-L310 WeakPolarHBondContact O-CA 3.41Å; L307-L310 PolarHBondContact O-N 3.39Å; S308-L310 PolarHBondContact O-N 2.96Å; L310-G312 PolarHBondContact O-N 2.95Å; L310-H313 HydrophobicContact CB-CB 4.37Å; L310-H313 WeakPolarHBondContact O-CB 3.38Å; L310-H313 PolarHBondContact O-N 2.96Å; L310-F315 HydrophobicContact CD1-CZ 4.13Å; L310-F315 HydrophobicContact CD2-CZ 4.39Å; L310-I321 HydrophobicContact CD1-CG2 3.9Å; L310-F323 HydrophobicContact CD1-CD1 3.66Å; L310-F323 HydrophobicContact CD1-CE1 3.79Å; L310-F323 HydrophobicContact CG-CD1 4.28Å
311	N	94.9	Very high	91.7	Very high	69 Å²	69	55.5 Å²	55.5	37%	0.369	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	127.8	-176.8	-173.7	52.7	0	0	0	111.8	V287 H288 V289 L307 S308 H313	V287-N311 CarbonylContact O-C 3.56Å; H288-N311 VanDerWaalsContact CA-OD1 3.32Å; H288-N311 WeakPolarHBondContact CA-OD1 3.4Å; V289-N311 PolarHBondContact N-OD1 2.87Å; V289-N311 WeakPolarHBondContact O-CB 3.17Å; V289-N311 PolarHBondContact O-OD1 3.14Å; L307-N311 PolarHBondContact O-N 3.11Å; S308-N311 WeakPolarHBondContact O-CB 3.48Å; S308-N311 PolarHBondContact O-N 3.15Å; S308-N311 VanDerWaalsContact O-N 3.14Å; N311-H313 VanDerWaalsContact C-N 3.27Å; N311-H313 PolarHBondContact O-N 2.89Å
312	G	94.4	Very high	92.8	Very high	46 Å²	46	52.4 Å²	52.4	47%	0.474	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-7	-174	0	0	0	0	0	114.8	V287 L310	V287-G312 PolarHBondContact O-N 3.07Å; L310-G312 PolarHBondContact O-N 2.95Å
313	H	96.1	Very high	92.8	Very high	94 Å²	94	50.2 Å²	50.2	44%	0.435	26%	0.256	S	S	.	.			trans	-73	139.7	178.1	-70.5	-152.5	0	0	0	110.8	V286 V287 L310 N311 F315	V286-H313 WeakPolarHBondContact CA-O 3.46Å; V287-H313 PolarHBondContact N-O 2.87Å; L310-H313 HydrophobicContact CB-CB 4.37Å; L310-H313 WeakPolarHBondContact O-CB 3.38Å; L310-H313 PolarHBondContact O-N 2.96Å; N311-H313 VanDerWaalsContact C-N 3.27Å; N311-H313 PolarHBondContact O-N 2.89Å; H313-F315 HydrophobicContact CB-CE2 3.81Å; H313-F315 HydrophobicContact CB-CZ 4.08Å
314	R	96.8	Very high	91.7	Very high	167 Å²	167	56 Å²	56	63%	0.63	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.6	176.8	-176.8	176.5	177.4	166.6	0.3	110.3	V285	V285-R314 CarbonylContact O-C 3.58Å; V285-R314 WeakPolarHBondContact O-CA 3.39Å
315	F	96.7	Very high	89.8	Confident	35 Å²	35	64.5 Å²	64.5	15%	0.154	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	149.5	177.8	-57.3	-92.9	0	0	0	110	P284 V285 V287 L310 H313 R317 D320 I321	P284-F315 VanDerWaalsContact CA-O 3.29Å; P284-F315 WeakPolarHBondContact CA-O 3.44Å; V285-F315 HydrophobicContact CG1-CB 3.81Å; V285-F315 HydrophobicContact CG1-CD2 4.31Å; V285-F315 HydrophobicContact CG1-CG 4.48Å; V285-F315 PolarHBondContact N-O 3.24Å; V285-F315 PolarHBondContact O-N 2.75Å; V287-F315 HydrophobicContact CG2-CD2 4.42Å; V287-F315 HydrophobicContact CG2-CE2 3.98Å; L310-F315 HydrophobicContact CD1-CZ 4.13Å; L310-F315 HydrophobicContact CD2-CZ 4.39Å; H313-F315 HydrophobicContact CB-CE2 3.81Å; H313-F315 HydrophobicContact CB-CZ 4.08Å; F315-R317 VanDerWaalsContact C-N 3.3Å; F315-R317 PolarHBondContact O-N 2.88Å; F315-D320 HydrophobicContact CB-CB 4.31Å; F315-D320 HydrophobicContact CD1-CB 4.4Å; F315-D320 WeakPolarHBondContact CD1-O 3.29Å; F315-I321 HydrophobicContact CD1-CG1 4.5Å; F315-I321 HydrophobicContact CD2-CG1 3.83Å; F315-I321 HydrophobicContact CE2-CG1 4.12Å; F315-I321 HydrophobicContact CG-CG1 4.04Å
316	S	95.9	Very high	89.8	Confident	93 Å²	93	67.6 Å²	67.6	65%	0.65	36%	0.36	S	S	*	.	S	Bend	trans	-69.5	-29.5	178.6	-60.9	0	0	0	0	112.5	R283 P284	R283-S316 CarbonylContact C-O 3.5Å; P284-S316 VanDerWaalsContact CA-O 3.29Å; P284-S316 WeakPolarHBondContact CA-O 3.29Å
317	R	94.6	Very high	89.7	Confident	86 Å²	86	69.6 Å²	69.6	33%	0.325	37%	0.368	S	S	.	.	S	Bend	trans	-143.7	157.6	-179.1	-60	179	-62.3	174.6	2.7	111	D277 N281 R283 F315 Q319 D320	D277-R317 WeakPolarHBondContact OD2-CD 3.34Å; D277-R317 IonicContact OD2-CZ 2.87Å; D277-R317 IonicContact OD2-NH1 2.92Å; D277-R317 PolarHBondContact OD2-NH1 3.04Å; N281-R317 WeakPolarHBondContact O-CA 3.2Å; N281-R317 VanDerWaalsContact O-CB 3.22Å; N281-R317 WeakPolarHBondContact O-CB 3.32Å; R283-R317 WeakPolarHBondContact O-CA 3.29Å; F315-R317 VanDerWaalsContact C-N 3.3Å; F315-R317 PolarHBondContact O-N 2.88Å; R317-Q319 VanDerWaalsContact C-N 3.29Å; R317-Q319 HydrophobicContact CB-CG 4.27Å; R317-Q319 PolarHBondContact O-N 3.5Å; R317-D320 VanDerWaalsContact CB-OD2 3.29Å; R317-D320 WeakPolarHBondContact CB-OD2 3.46Å; R317-D320 IonicContact CZ-OD1 3.23Å; R317-D320 IonicContact CZ-OD2 3.07Å; R317-D320 PolarHBondContact N-OD2 3.23Å; R317-D320 IonicContact NE-OD1 3.89Å; R317-D320 PolarHBondContact NE-OD1 3.07Å; R317-D320 IonicContact NE-OD2 2.74Å; R317-D320 PolarHBondContact NE-OD2 3.23Å; R317-D320 IonicContact NH2-OD1 3.39Å; R317-D320 PolarHBondContact NH2-OD1 2.74Å; R317-D320 IonicContact NH2-OD2 3.88Å; R317-D320 WeakPolarHBondContact O-CB 3.32Å; R317-D320 PolarHBondContact O-N 3.28Å; R317-D320 VanDerWaalsContact O-N 3.11Å
318	L	92.5	Very high	89.5	Confident	2 Å²	2	73.4 Å²	73.4	1%	0.01	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-60	-38.2	178.5	-173.4	62.2	0	0	0	113	L169 I181 L208 L280 N281 V285 D320 I321	L169-L318 HydrophobicContact CD1-CD1 3.97Å; L169-L318 HydrophobicContact CD2-CD1 4.22Å; L169-L318 HydrophobicContact CD2-CD2 3.84Å; I181-L318 HydrophobicContact CD1-CD1 4.2Å; L208-L318 HydrophobicContact CD1-CD2 3.86Å; L208-L318 HydrophobicContact CD1-CG 4.35Å; L208-L318 HydrophobicContact CD2-CD2 4.32Å; L208-L318 HydrophobicContact CD2-CG 4.48Å; L208-L318 HydrophobicContact CG-CD2 4.15Å; L208-L318 HydrophobicContact CG-CG 4.17Å; L280-L318 HydrophobicContact CD2-CD2 4.38Å; L280-L318 HydrophobicContact CG-CD2 4.42Å; N281-L318 PolarHBondContact O-N 2.8Å; N281-L318 VanDerWaalsContact O-N 3.12Å; V285-L318 HydrophobicContact CB-CD1 4.48Å; V285-L318 HydrophobicContact CG1-CD1 4.41Å; V285-L318 HydrophobicContact CG2-CD1 4.23Å; L318-D320 VanDerWaalsContact C-N 3.25Å; L318-D320 PolarHBondContact O-N 2.97Å; L318-I321 HydrophobicContact CD1-CD1 4.06Å; L318-I321 WeakPolarHBondContact O-CG1 3.46Å
319	Q	91.8	Very high	89.3	Confident	54 Å²	54	76.2 Å²	76.2	25%	0.252	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-75	-12.1	179.6	68.7	-172.7	-9.3	0	0	114.1	G207 D277 R317 I321	G207-Q319 WeakPolarHBondContact O-CB 3.44Å; D277-Q319 PolarHBondContact OD1-NE2 3.25Å; D277-Q319 PolarHBondContact OD2-NE2 3.45Å; R317-Q319 VanDerWaalsContact C-N 3.29Å; R317-Q319 HydrophobicContact CB-CG 4.27Å; R317-Q319 PolarHBondContact O-N 3.5Å; Q319-I321 PolarHBondContact O-N 3.41Å
320	D	94.2	Very high	89.2	Confident	46 Å²	46	74.5 Å²	74.5	25%	0.246	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-81.4	-4.1	-179.5	-62	-23.2	0	0	0	111.9	F315 R317 L318 Q322	F315-D320 HydrophobicContact CB-CB 4.31Å; F315-D320 HydrophobicContact CD1-CB 4.4Å; F315-D320 WeakPolarHBondContact CD1-O 3.29Å; R317-D320 VanDerWaalsContact CB-OD2 3.29Å; R317-D320 WeakPolarHBondContact CB-OD2 3.46Å; R317-D320 IonicContact CZ-OD1 3.23Å; R317-D320 IonicContact CZ-OD2 3.07Å; R317-D320 PolarHBondContact N-OD2 3.23Å; R317-D320 IonicContact NE-OD1 3.89Å; R317-D320 PolarHBondContact NE-OD1 3.07Å; R317-D320 IonicContact NE-OD2 2.74Å; R317-D320 PolarHBondContact NE-OD2 3.23Å; R317-D320 IonicContact NH2-OD1 3.39Å; R317-D320 PolarHBondContact NH2-OD1 2.74Å; R317-D320 IonicContact NH2-OD2 3.88Å; R317-D320 WeakPolarHBondContact O-CB 3.32Å; R317-D320 PolarHBondContact O-N 3.28Å; R317-D320 VanDerWaalsContact O-N 3.11Å; L318-D320 VanDerWaalsContact C-N 3.25Å; L318-D320 PolarHBondContact O-N 2.97Å; D320-Q322 PolarHBondContact O-N 2.92Å
321	I	92.7	Very high	88.9	Confident	7 Å²	7	78.9 Å²	78.9	4%	0.036	42%	0.419	C	S	.	.			trans	-66.1	115.3	174	-60	173.1	0	0	0	109	I181 V285 V287 L310 F315 L318 Q319	I181-I321 HydrophobicContact CD1-CD1 3.4Å; V285-I321 HydrophobicContact CG1-CD1 3.94Å; V285-I321 HydrophobicContact CG1-CG1 4.07Å; V285-I321 HydrophobicContact CG2-CD1 4.48Å; V287-I321 HydrophobicContact CG2-CD1 4.45Å; L310-I321 HydrophobicContact CD1-CG2 3.9Å; F315-I321 HydrophobicContact CD1-CG1 4.5Å; F315-I321 HydrophobicContact CD2-CG1 3.83Å; F315-I321 HydrophobicContact CE2-CG1 4.12Å; F315-I321 HydrophobicContact CG-CG1 4.04Å; L318-I321 HydrophobicContact CD1-CD1 4.06Å; L318-I321 WeakPolarHBondContact O-CG1 3.46Å; Q319-I321 PolarHBondContact O-N 3.41Å
322	Q	87	Confident	88.5	Confident	142 Å²	142	79.6 Å²	79.6	66%	0.664	42%	0.422	S	S	*	.			trans	-128	143.1	175.3	-62.7	-177.6	0.9	0	0	108.4	D320	D320-Q322 PolarHBondContact O-N 2.92Å
323	F	85.3	Confident	88	Confident	18 Å²	18	82.2 Å²	82.2	8%	0.079	42%	0.418	C	S	.	.			trans	-95.4	140.8	169.9	-50.2	-78.8	0	0	0	107.9	Q213 V215 L303 S306 L307 L310	Q213-F323 HydrophobicContact CB-CD2 3.79Å; Q213-F323 HydrophobicContact CB-CE2 4.33Å; Q213-F323 HydrophobicContact CG-CD2 4.32Å; Q213-F323 PolarHBondContact NE2-O 2.91Å; Q213-F323 VanDerWaalsContact NE2-O 3.12Å; Q213-F323 PolarHBondContact OE1-O 2.88Å; V215-F323 HydrophobicContact CG2-CE2 3.41Å; V215-F323 VanDerWaalsContact CG2-CE2 3.41Å; V215-F323 HydrophobicContact CG2-CZ 3.65Å; L303-F323 HydrophobicContact CD1-CE2 4.45Å; L303-F323 HydrophobicContact CD1-CZ 3.82Å; S306-F323 VanDerWaalsContact C-CE1 3.48Å; S306-F323 VanDerWaalsContact CB-CD1 3.5Å; S306-F323 VanDerWaalsContact CB-CE1 3.42Å; S306-F323 WeakPolarHBondContact O-CD1 3.4Å; S306-F323 WeakPolarHBondContact O-CE1 3.36Å; L307-F323 HydrophobicContact CD2-CE1 3.88Å; L307-F323 HydrophobicContact CD2-CZ 4.07Å; L307-F323 HydrophobicContact CG-CE1 4.05Å; L307-F323 HydrophobicContact CG-CZ 4.23Å; L310-F323 HydrophobicContact CD1-CD1 3.66Å; L310-F323 HydrophobicContact CD1-CE1 3.79Å; L310-F323 HydrophobicContact CG-CD1 4.28Å
324	D	68.7	Low	87.3	Confident	137 Å²	137	81.3 Å²	81.3	73%	0.733	42%	0.417	S	S	*	.			trans	-54.1	143.7	-180	-75.5	-34.4	0	0	0	110.9	Q213	Q213-D324 PolarHBondContact NE2-O 2.7Å
325	P	51.9	Low	86.5	Confident	188 Å²	188	73.5 Å²	73.5	100%	1.221	40%	0.397	S	S	*	.			trans	-59	0	-173.4	-24.6	33.4	0	0	0	116.7

Retrieved 325 of 325 residues in 442.7 ms (Link to these results)

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