A0A077ZCE7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZCE7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 771 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	29.9	Very low	63.9	Low	225 Å²	225	72.2 Å²	72.2	100%	1.108	37%	0.374	S	S	*	.				0	119.6	0	-77.5	179	-168.5	0	0	106.4	H3	M1-H3 PolarHBondContact O-N 2.7Å
2	M	38.6	Very low	64.9	Low	149 Å²	149	66.2 Å²	66.2	73%	0.734	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-57.7	118.6	172.5	-94.3	177	160.3	0	0	108.6	S4	M2-S4 PolarHBondContact O-N 3.26Å
3	H	55.3	Low	65.8	Low	54 Å²	54	61.1 Å²	61.1	25%	0.25	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-64.6	126	173.5	-74	-55.6	0	0	0	109	M1 I5 E71 F153	M1-H3 PolarHBondContact O-N 2.7Å; H3-I5 PolarHBondContact O-N 3.29Å; H3-I5 VanDerWaalsContact O-N 3.1Å; H3-E71 WeakPolarHBondContact CB-OE1 3.13Å; H3-E71 IonicContact CD2-OE1 2.83Å; H3-E71 PolarHBondContact CD2-OE1 2.89Å; H3-E71 IonicContact CG-OE1 3.79Å; H3-E71 PolarHBondContact N-OE1 2.95Å; H3-F153 HydrophobicContact CB-CD1 3.89Å; H3-F153 HydrophobicContact CB-CE1 3.79Å; H3-F153 AromaticContact CD2-CD1 3.75Å
4	S	63.9	Low	66.4	Low	80 Å²	80	57.6 Å²	57.6	56%	0.559	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-62.3	117	179.6	64.8	0	0	0	0	110.1	M2 K141	M2-S4 PolarHBondContact O-N 3.26Å; S4-K141 PolarHBondContact O-NZ 3.28Å
5	I	68.4	Low	67.1	Low	37 Å²	37	57.4 Å²	57.4	19%	0.19	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-97.5	141.9	172.1	-59.8	-179.7	0	0	0	107.1	H3 I13 F143 L151 F153	H3-I5 PolarHBondContact O-N 3.29Å; H3-I5 VanDerWaalsContact O-N 3.1Å; I5-I13 HydrophobicContact CD1-CD1 4.19Å; I5-F143 HydrophobicContact CD1-CD1 4.4Å; I5-F143 HydrophobicContact CD1-CE1 4.05Å; I5-F143 HydrophobicContact CG1-CD1 4.46Å; I5-F143 HydrophobicContact CG1-CE1 3.65Å; I5-F143 HydrophobicContact CG1-CZ 4.04Å; I5-F143 HydrophobicContact CG2-CZ 4.41Å; I5-L151 HydrophobicContact CD1-CD1 4.48Å; I5-F153 HydrophobicContact CD1-CE1 4.01Å; I5-F153 HydrophobicContact CD1-CZ 4.04Å; I5-F153 HydrophobicContact CG1-CE1 4.28Å
6	S	74.9	Confident	67.8	Low	15 Å²	15	53.8 Å²	53.8	11%	0.105	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-62.7	150.2	175.3	70.6	0	0	0	0	110.9	Q8 S9 S10 E105 W116	S6-Q8 PolarHBondContact O-N 2.97Å; S6-Q8 VanDerWaalsContact O-N 3.16Å; S6-S9 PolarHBondContact O-N 3.38Å; S6-S9 WeakPolarHBondContact OG-CB 3.08Å; S6-S9 PolarHBondContact OG-N 3.42Å; S6-S9 PolarHBondContact OG-OG 2.68Å; S6-S9 VanDerWaalsContact OG-OG 3.04Å; S6-S10 PolarHBondContact O-N 2.85Å; S6-S10 PolarHBondContact O-OG 3.44Å; S6-E105 WeakPolarHBondContact CB-OE1 3.37Å; S6-E105 PolarHBondContact N-OE1 2.8Å; S6-E105 PolarHBondContact OG-OE1 2.95Å; S6-W116 VanDerWaalsContact CB-O 3.31Å; S6-W116 WeakPolarHBondContact CB-O 2.94Å
7	Q	71.7	Confident	68.2	Low	102 Å²	102	51.6 Å²	51.6	48%	0.477	27%	0.268	S	S	.	.	H	α-helix	trans	-53.5	-39.5	179.5	-177	178.5	-4.8	0	0	112.2	S10 C11 C55	Q7-S10 WeakPolarHBondContact O-CB 3.49Å; Q7-S10 PolarHBondContact O-N 3.17Å; Q7-C11 PolarHBondContact O-N 3.31Å; Q7-C55 PolarHBondContact O-SG 2.88Å; Q7-C55 VanDerWaalsContact O-SG 3.41Å
8	Q	73.9	Confident	68.6	Low	98 Å²	98	52.1 Å²	52.1	46%	0.458	27%	0.271	S	S	.	.	H	α-helix	trans	-63.7	-44.5	177.9	-67.6	175.9	-12.7	0	0	112.4	S6 C11 A12 W54 N118	S6-Q8 PolarHBondContact O-N 2.97Å; S6-Q8 VanDerWaalsContact O-N 3.16Å; Q8-C11 PolarHBondContact O-N 3.2Å; Q8-A12 PolarHBondContact O-N 3.11Å; Q8-W54 WeakPolarHBondContact O-CH2 3.34Å; Q8-N118 HydrophobicContact CB-CB 3.79Å
9	S	78.2	Confident	69.1	Low	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.3	-38.8	175.8	-62.8	0	0	0	0	112	S6 A12 I13 I103 E105 N118	S6-S9 PolarHBondContact O-N 3.38Å; S6-S9 WeakPolarHBondContact OG-CB 3.08Å; S6-S9 PolarHBondContact OG-N 3.42Å; S6-S9 PolarHBondContact OG-OG 2.68Å; S6-S9 VanDerWaalsContact OG-OG 3.04Å; S9-A12 VanDerWaalsContact O-CB 3.29Å; S9-A12 WeakPolarHBondContact O-CB 3.28Å; S9-A12 PolarHBondContact O-N 3.15Å; S9-A12 VanDerWaalsContact O-N 3.15Å; S9-I13 WeakPolarHBondContact O-CD1 3.49Å; S9-I13 VanDerWaalsContact O-CG1 3.3Å; S9-I13 WeakPolarHBondContact O-CG1 3.49Å; S9-I13 PolarHBondContact O-N 3.37Å; S9-I103 WeakPolarHBondContact OG-CG2 3.46Å; S9-E105 WeakPolarHBondContact CB-OE1 3.08Å; S9-E105 PolarHBondContact OG-OE1 2.76Å; S9-N118 PolarHBondContact OG-ND2 2.85Å
10	S	73.6	Confident	69.3	Low	28 Å²	28	49 Å²	49	20%	0.196	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-44.5	174	-71.6	0	0	0	0	112.2	S6 Q7 A12 I13 A14	S6-S10 PolarHBondContact O-N 2.85Å; S6-S10 PolarHBondContact O-OG 3.44Å; Q7-S10 WeakPolarHBondContact O-CB 3.49Å; Q7-S10 PolarHBondContact O-N 3.17Å; S10-A12 VanDerWaalsContact C-N 3.32Å; S10-A12 PolarHBondContact O-N 3.12Å; S10-I13 PolarHBondContact O-N 3.38Å; S10-A14 WeakPolarHBondContact O-CB 3.48Å; S10-A14 PolarHBondContact O-N 3Å
11	C	74.5	Confident	69.3	Low	6 Å²	6	51.5 Å²	51.5	4%	0.041	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-39.4	172.6	-78.6	0	0	0	0	112.3	Q7 Q8 I13 A14 H15 W54 C55	Q7-C11 PolarHBondContact O-N 3.31Å; Q8-C11 PolarHBondContact O-N 3.2Å; C11-I13 VanDerWaalsContact C-N 3.33Å; C11-I13 PolarHBondContact O-N 2.69Å; C11-A14 PolarHBondContact O-N 3.1Å; C11-H15 PolarHBondContact O-CD2 2.74Å; C11-H15 VanDerWaalsContact O-CD2 3.3Å; C11-H15 PolarHBondContact O-N 3.27Å; C11-W54 HydrophobicContact CB-CE3 4.4Å; C11-W54 HydrophobicContact CB-CH2 4Å; C11-W54 HydrophobicContact CB-CZ3 3.84Å; C11-C55 HydrophobicContact CB-CB 3.6Å; C11-C55 WeakPolarHBondContact CB-SG 3.19Å; C11-C55 WeakPolarHBondContact SG-CB 3.47Å; C11-C55 CovalentContact SG-SG 2.02Å; C11-C55 PolarHBondContact SG-SG 3.05Å
12	A	76.5	Confident	71.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-48.2	178.5	0	0	0	0	0	111.5	Q8 S9 S10 F16 L44 W54 I121	Q8-A12 PolarHBondContact O-N 3.11Å; S9-A12 VanDerWaalsContact O-CB 3.29Å; S9-A12 WeakPolarHBondContact O-CB 3.28Å; S9-A12 PolarHBondContact O-N 3.15Å; S9-A12 VanDerWaalsContact O-N 3.15Å; S10-A12 VanDerWaalsContact C-N 3.32Å; S10-A12 PolarHBondContact O-N 3.12Å; A12-F16 WeakPolarHBondContact O-CB 3.36Å; A12-F16 PolarHBondContact O-N 3.33Å; A12-F16 VanDerWaalsContact O-N 3.1Å; A12-L44 HydrophobicContact CB-CD1 4.19Å; A12-L44 HydrophobicContact CB-CD2 4.3Å; A12-W54 VanDerWaalsContact CA-CH2 3.42Å; A12-W54 HydrophobicContact CB-CH2 3.63Å; A12-W54 HydrophobicContact CB-CZ3 4.29Å; A12-W54 VanDerWaalsContact N-CH2 3.3Å; A12-I121 HydrophobicContact CB-CD1 3.74Å
13	I	76.4	Confident	72.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.9	-45.3	-179.2	-63.6	160.8	0	0	0	109.8	I5 S9 S10 C11 F16 L17 L65 L69 I103 V145 L151	I5-I13 HydrophobicContact CD1-CD1 4.19Å; S9-I13 WeakPolarHBondContact O-CD1 3.49Å; S9-I13 VanDerWaalsContact O-CG1 3.3Å; S9-I13 WeakPolarHBondContact O-CG1 3.49Å; S9-I13 PolarHBondContact O-N 3.37Å; S10-I13 PolarHBondContact O-N 3.38Å; C11-I13 VanDerWaalsContact C-N 3.33Å; C11-I13 PolarHBondContact O-N 2.69Å; I13-F16 PolarHBondContact O-N 3.36Å; I13-L17 HydrophobicContact CG2-CD1 3.82Å; I13-L17 HydrophobicContact CG2-CG 4.24Å; I13-L17 VanDerWaalsContact O-CG 3.29Å; I13-L17 WeakPolarHBondContact O-CG 3.37Å; I13-L17 PolarHBondContact O-N 3.26Å; I13-L65 HydrophobicContact CB-CD2 4.21Å; I13-L65 HydrophobicContact CG2-CD2 3.78Å; I13-L69 HydrophobicContact CG2-CD1 4.16Å; I13-L69 HydrophobicContact CG2-CD2 4.29Å; I13-I103 HydrophobicContact CD1-CD1 3.82Å; I13-I103 HydrophobicContact CG1-CD1 3.66Å; I13-V145 HydrophobicContact CG1-CG2 4.28Å; I13-L151 HydrophobicContact CD1-CD1 4.18Å; I13-L151 HydrophobicContact CD1-CD2 3.87Å; I13-L151 HydrophobicContact CG1-CD2 4.37Å; I13-L151 HydrophobicContact CG2-CD1 4.45Å
14	A	73.7	Confident	72	Confident	12 Å²	12	41.4 Å²	41.4	10%	0.099	22%	0.224	C	C	.	.	H	α-helix	trans	-58.8	-50.2	178.9	0	0	0	0	0	112	S10 C11 F16 L17 D18	S10-A14 WeakPolarHBondContact O-CB 3.48Å; S10-A14 PolarHBondContact O-N 3Å; C11-A14 PolarHBondContact O-N 3.1Å; A14-F16 VanDerWaalsContact C-N 3.29Å; A14-F16 PolarHBondContact O-N 3.09Å; A14-L17 PolarHBondContact O-N 3.44Å; A14-D18 WeakPolarHBondContact O-CB 3.2Å; A14-D18 PolarHBondContact O-N 2.96Å
15	H	77.2	Confident	71.2	Confident	55 Å²	55	45.4 Å²	45.4	26%	0.255	23%	0.233	S	C	.	.	H	α-helix	trans	-59.7	-38.7	177	-85.2	-66.5	0	0	0	113.1	C11 C19 L44 W54	C11-H15 PolarHBondContact O-CD2 2.74Å; C11-H15 VanDerWaalsContact O-CD2 3.3Å; C11-H15 PolarHBondContact O-N 3.27Å; H15-C19 WeakPolarHBondContact O-CB 3.25Å; H15-C19 PolarHBondContact O-N 2.83Å; H15-L44 HydrophobicContact CB-CD1 4.24Å; H15-W54 AromaticContact CD2-CE3 3.79Å; H15-W54 AromaticContact CD2-CZ3 3.81Å
16	F	78.7	Confident	70	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-45	176.6	178.2	-104.1	0	0	0	112.1	A12 I13 A14 C19 L20 C40 S100 F101 V145	A12-F16 WeakPolarHBondContact O-CB 3.36Å; A12-F16 PolarHBondContact O-N 3.33Å; A12-F16 VanDerWaalsContact O-N 3.1Å; I13-F16 PolarHBondContact O-N 3.36Å; A14-F16 VanDerWaalsContact C-N 3.29Å; A14-F16 PolarHBondContact O-N 3.09Å; F16-C19 PolarHBondContact O-N 3.09Å; F16-L20 HydrophobicContact CD1-CD1 3.92Å; F16-L20 HydrophobicContact CE1-CD1 3.38Å; F16-L20 HydrophobicContact CE1-CG 4.17Å; F16-L20 HydrophobicContact CZ-CD1 3.77Å; F16-L20 HydrophobicContact CZ-CD2 4.45Å; F16-L20 HydrophobicContact CZ-CG 4.21Å; F16-L20 WeakPolarHBondContact O-CG 3.45Å; F16-L20 PolarHBondContact O-N 2.93Å; F16-C40 HydrophobicContact CD2-CB 3.67Å; F16-C40 HydrophobicContact CE2-CB 3.7Å; F16-S100 VanDerWaalsContact CZ-CB 3.5Å; F16-F101 HydrophobicContact CB-CE1 4.06Å; F16-F101 HydrophobicContact CB-CZ 4.13Å; F16-F101 AromaticContact CD1-CE1 3.67Å; F16-F101 HydrophobicContact CD1-CE1 3.67Å; F16-F101 HydrophobicContact CD1-CZ 4.24Å; F16-F101 HydrophobicContact CD2-CD1 4.31Å; F16-F101 AromaticContact CD2-CE1 3.58Å; F16-F101 HydrophobicContact CD2-CE1 3.58Å; F16-F101 HydrophobicContact CD2-CZ 4.46Å; F16-F101 AromaticContact CE1-CE1 3.9Å; F16-F101 HydrophobicContact CE1-CE1 3.9Å; F16-F101 HydrophobicContact CE2-CD1 4.22Å; F16-F101 AromaticContact CE2-CE1 3.83Å; F16-F101 HydrophobicContact CE2-CE1 3.83Å; F16-F101 AromaticContact CG-CE1 3.49Å; F16-F101 HydrophobicContact CG-CE1 3.49Å; F16-F101 VanDerWaalsContact CG-CE1 3.49Å; F16-F101 HydrophobicContact CG-CZ 4.04Å; F16-F101 HydrophobicContact CZ-CD1 4.4Å; F16-F101 AromaticContact CZ-CE1 3.99Å; F16-F101 HydrophobicContact CZ-CE1 3.99Å; F16-V145 HydrophobicContact CD1-CG1 3.9Å; F16-V145 HydrophobicContact CE1-CG1 3.84Å
17	L	74.7	Confident	68.3	Low	17 Å²	17	56.9 Å²	56.9	9%	0.089	29%	0.288	C	S	.	.	H	α-helix	trans	-66.4	-40.4	178.5	-68.6	174.9	0	0	0	112.2	I13 A14 C19 L20 R21 L69	I13-L17 HydrophobicContact CG2-CD1 3.82Å; I13-L17 HydrophobicContact CG2-CG 4.24Å; I13-L17 VanDerWaalsContact O-CG 3.29Å; I13-L17 WeakPolarHBondContact O-CG 3.37Å; I13-L17 PolarHBondContact O-N 3.26Å; A14-L17 PolarHBondContact O-N 3.44Å; L17-C19 VanDerWaalsContact C-N 3.34Å; L17-L20 PolarHBondContact O-N 3.03Å; L17-R21 WeakPolarHBondContact O-CG 3.47Å; L17-R21 PolarHBondContact O-N 3.1Å; L17-L69 HydrophobicContact CD1-CD2 3.84Å; L17-L69 HydrophobicContact CD1-CG 4.21Å
18	D	75.4	Confident	66.6	Low	59 Å²	59	58.7 Å²	58.7	32%	0.316	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-42.2	175.6	-72.9	-19.8	0	0	0	110.7	A14 L20 R21 D22	A14-D18 WeakPolarHBondContact O-CB 3.2Å; A14-D18 PolarHBondContact O-N 2.96Å; D18-L20 VanDerWaalsContact C-N 3.34Å; D18-L20 PolarHBondContact O-N 2.93Å; D18-R21 WeakPolarHBondContact O-CB 3.46Å; D18-R21 PolarHBondContact O-N 3.46Å; D18-R21 VanDerWaalsContact O-N 3.15Å; D18-D22 PolarHBondContact O-N 2.77Å
19	C	77.5	Confident	64.9	Low	10 Å²	10	59.1 Å²	59.1	7%	0.068	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-42.4	172.7	176.8	0	0	0	0	112.4	H15 F16 L17 R21 D22 V23 C40	H15-C19 WeakPolarHBondContact O-CB 3.25Å; H15-C19 PolarHBondContact O-N 2.83Å; F16-C19 PolarHBondContact O-N 3.09Å; L17-C19 VanDerWaalsContact C-N 3.34Å; C19-R21 VanDerWaalsContact C-N 3.26Å; C19-R21 PolarHBondContact O-N 3.29Å; C19-D22 PolarHBondContact O-N 3.08Å; C19-V23 WeakPolarHBondContact O-CB 3.49Å; C19-V23 WeakPolarHBondContact O-CG2 3.33Å; C19-V23 PolarHBondContact O-N 3.11Å; C19-C40 HydrophobicContact CB-CB 3.65Å; C19-C40 WeakPolarHBondContact CB-SG 3.33Å; C19-C40 WeakPolarHBondContact SG-CA 3.32Å; C19-C40 WeakPolarHBondContact SG-CB 3.41Å; C19-C40 CovalentContact SG-SG 2.05Å; C19-C40 PolarHBondContact SG-SG 3.43Å
20	L	72.5	Confident	63.1	Low	32 Å²	32	60.8 Å²	60.8	17%	0.168	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-35	176.6	-74.7	177.2	0	0	0	112.1	F16 L17 D18 S24 R36 C40	F16-L20 HydrophobicContact CD1-CD1 3.92Å; F16-L20 HydrophobicContact CE1-CD1 3.38Å; F16-L20 HydrophobicContact CE1-CG 4.17Å; F16-L20 HydrophobicContact CZ-CD1 3.77Å; F16-L20 HydrophobicContact CZ-CD2 4.45Å; F16-L20 HydrophobicContact CZ-CG 4.21Å; F16-L20 WeakPolarHBondContact O-CG 3.45Å; F16-L20 PolarHBondContact O-N 2.93Å; L17-L20 PolarHBondContact O-N 3.03Å; D18-L20 VanDerWaalsContact C-N 3.34Å; D18-L20 PolarHBondContact O-N 2.93Å; L20-S24 PolarHBondContact O-N 2.89Å; L20-R36 HydrophobicContact CD2-CB 4.27Å; L20-C40 HydrophobicContact CD2-CB 4.5Å; L20-C40 PolarHBondContact N-SG 3.11Å
21	R	70.4	Confident	61.6	Low	103 Å²	103	67.5 Å²	67.5	39%	0.389	36%	0.355	S	S	.	.	H	α-helix	trans	-70.2	-46.7	175	-73.8	174.3	174.2	-179.9	-3.9	111.9	L17 D18 C19 V23 S24 N68	L17-R21 WeakPolarHBondContact O-CG 3.47Å; L17-R21 PolarHBondContact O-N 3.1Å; D18-R21 WeakPolarHBondContact O-CB 3.46Å; D18-R21 PolarHBondContact O-N 3.46Å; D18-R21 VanDerWaalsContact O-N 3.15Å; C19-R21 VanDerWaalsContact C-N 3.26Å; C19-R21 PolarHBondContact O-N 3.29Å; R21-V23 VanDerWaalsContact C-N 3.28Å; R21-V23 PolarHBondContact O-N 3.38Å; R21-S24 VanDerWaalsContact O-CB 3.29Å; R21-S24 WeakPolarHBondContact O-CB 3.48Å; R21-S24 PolarHBondContact O-N 2.96Å; R21-S24 PolarHBondContact O-OG 3.15Å; R21-N68 VanDerWaalsContact NH2-CG 3.35Å; R21-N68 PolarHBondContact NH2-ND2 2.84Å
22	D	66.5	Low	60.4	Low	116 Å²	116	72.5 Å²	72.5	62%	0.62	38%	0.378	S	S	*	.	H	α-helix	trans	-64.3	-35.1	-179.3	-74.6	-15.7	0	0	0	112.3	D18 C19 S24	D18-D22 PolarHBondContact O-N 2.77Å; C19-D22 PolarHBondContact O-N 3.08Å; D22-S24 PolarHBondContact O-N 2.86Å
23	V	60.3	Low	59.3	Low	32 Å²	32	77.1 Å²	77.1	19%	0.194	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-72.1	-16.6	176.9	-179.6	0	0	0	0	112	C19 R21 H25 R36 L39	C19-V23 WeakPolarHBondContact O-CB 3.49Å; C19-V23 WeakPolarHBondContact O-CG2 3.33Å; C19-V23 PolarHBondContact O-N 3.11Å; R21-V23 VanDerWaalsContact C-N 3.28Å; R21-V23 PolarHBondContact O-N 3.38Å; V23-H25 VanDerWaalsContact C-N 3.29Å; V23-H25 PolarHBondContact O-N 2.78Å; V23-R36 HydrophobicContact CG1-CB 4.29Å; V23-R36 HydrophobicContact CG1-CG 3.63Å; V23-L39 HydrophobicContact CG2-CD2 4.43Å
24	S	52.6	Low	58.1	Low	68 Å²	68	81.7 Å²	81.7	48%	0.476	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-74.1	-15.5	179.9	76.8	0	0	0	0	114.2	L20 R21 D22	L20-S24 PolarHBondContact O-N 2.89Å; R21-S24 VanDerWaalsContact O-CB 3.29Å; R21-S24 WeakPolarHBondContact O-CB 3.48Å; R21-S24 PolarHBondContact O-N 2.96Å; R21-S24 PolarHBondContact O-OG 3.15Å; D22-S24 PolarHBondContact O-N 2.86Å
25	H	47.1	Very low	57.4	Low	164 Å²	164	83.2 Å²	83.2	76%	0.759	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-84.6	-7.1	-176.1	-97	-56.1	0	0	0	115.6	V23	V23-H25 VanDerWaalsContact C-N 3.29Å; V23-H25 PolarHBondContact O-N 2.78Å
26	H	44.3	Very low	57	Low	162 Å²	162	83.2 Å²	83.2	75%	0.75	44%	0.444	S	S	*	.	S	Bend	trans	-123.3	-9.9	-166.7	-101.4	-48.3	0	0	0	119.9
27	D	38.4	Very low	56.5	Low	131 Å²	131	83.7 Å²	83.7	70%	0.701	45%	0.448	S	S	*	.			trans	-152.9	139.6	177	-84.5	-50.5	0	0	0	115.3	R36	D27-R36 PolarHBondContact O-NH2 3.02Å
28	D	35.8	Very low	56.3	Low	139 Å²	139	90 Å²	90	74%	0.743	47%	0.474	S	S	*	.			trans	-60.5	149.3	-178.2	-112.2	-32.5	0	0	0	114.5
29	V	38.8	Very low	56.3	Low	108 Å²	108	90.8 Å²	90.8	66%	0.655	48%	0.478	S	S	*	.	S	Bend	trans	65.3	94.5	153	-169.1	0	0	0	0	118.7	E31	V29-E31 VanDerWaalsContact C-N 3.33Å; V29-E31 PolarHBondContact O-N 3.13Å
30	G	40.5	Very low	56.4	Low	34 Å²	34	90.4 Å²	90.4	35%	0.351	48%	0.476	S	S	.	.	S	Bend		69	-27.3	119.7	0	0	0	0	0	122.7	R754	G30-R754 PolarHBondContact O-NH2 3.45Å; G30-R754 VanDerWaalsContact O-NH2 3.16Å
31	E	41.6	Very low	56.7	Low	169 Å²	169	89.6 Å²	89.6	79%	0.79	47%	0.47	S	S	*	.	S	Bend	trans	-112.7	-4.5	-175.1	-76.4	-176.3	159.1	0	0	113.5	V29	V29-E31 VanDerWaalsContact C-N 3.33Å; V29-E31 PolarHBondContact O-N 3.13Å
32	H	50.6	Low	57	Low	112 Å²	112	87.1 Å²	87.1	52%	0.519	47%	0.469	S	S	.	.			trans	-95.6	-0.6	-171.4	-78.7	-67.4	0	0	0	116.6	V34 G35 R36	H32-V34 VanDerWaalsContact C-N 3.31Å; H32-V34 PolarHBondContact O-N 3.18Å; H32-G35 PolarHBondContact O-N 3.19Å; H32-R36 HydrophobicContact CB-CG 4.49Å; H32-R36 VanDerWaalsContact O-CG 3.31Å; H32-R36 WeakPolarHBondContact O-CG 3.46Å; H32-R36 PolarHBondContact O-N 3.39Å
33	L	51.7	Low	57.5	Low	97 Å²	97	87.8 Å²	87.8	51%	0.508	46%	0.463	S	S	.	.	H	α-helix	trans	-56.2	-39.9	-174.4	-91.8	143.2	0	0	0	113.9	R36 S37	L33-R36 PolarHBondContact O-N 3.05Å; L33-S37 PolarHBondContact O-N 3.03Å; L33-S37 VanDerWaalsContact O-N 3.15Å; L33-S37 PolarHBondContact O-OG 2.83Å
34	V	52.2	Low	58.3	Low	96 Å²	96	86.5 Å²	86.5	58%	0.582	46%	0.455	S	S	*	.	H	α-helix	trans	-73.1	-31.8	178.8	-178.3	0	0	0	0	112.3	H32 S37 K38	H32-V34 VanDerWaalsContact C-N 3.31Å; H32-V34 PolarHBondContact O-N 3.18Å; V34-S37 PolarHBondContact O-OG 3.24Å; V34-S37 VanDerWaalsContact O-OG 3.04Å; V34-K38 WeakPolarHBondContact O-CG 3.47Å; V34-K38 PolarHBondContact O-N 2.91Å
35	G	59.2	Low	59.3	Low	44 Å²	44	86.6 Å²	86.6	45%	0.454	45%	0.448	S	S	.	.	H	α-helix	trans	-71.4	-38.2	174.8	0	0	0	0	0	112.1	H32 K38 L39	H32-G35 PolarHBondContact O-N 3.19Å; G35-K38 PolarHBondContact O-N 3.34Å; G35-L39 PolarHBondContact O-N 3.46Å
36	R	67.7	Low	60.6	Low	54 Å²	54	81.7 Å²	81.7	20%	0.204	43%	0.432	C	S	.	.	H	α-helix	trans	-65.6	-45.4	177.8	-66.7	179.6	-176.9	-175.9	0.9	111.8	L20 V23 D27 H32 L33 K38 L39 C40	L20-R36 HydrophobicContact CD2-CB 4.27Å; V23-R36 HydrophobicContact CG1-CB 4.29Å; V23-R36 HydrophobicContact CG1-CG 3.63Å; D27-R36 PolarHBondContact O-NH2 3.02Å; H32-R36 HydrophobicContact CB-CG 4.49Å; H32-R36 VanDerWaalsContact O-CG 3.31Å; H32-R36 WeakPolarHBondContact O-CG 3.46Å; H32-R36 PolarHBondContact O-N 3.39Å; L33-R36 PolarHBondContact O-N 3.05Å; R36-K38 PolarHBondContact O-N 2.72Å; R36-L39 PolarHBondContact O-N 2.89Å; R36-C40 PolarHBondContact O-N 3Å; R36-C40 PolarHBondContact O-SG 3.36Å
37	S	68.6	Low	61.8	Low	10 Å²	10	77.1 Å²	77.1	7%	0.07	41%	0.413	C	S	.	.	H	α-helix	trans	-62.9	-41.8	176.9	62.1	0	0	0	0	112	L33 V34 L39 C40 Y41 S100	L33-S37 PolarHBondContact O-N 3.03Å; L33-S37 VanDerWaalsContact O-N 3.15Å; L33-S37 PolarHBondContact O-OG 2.83Å; V34-S37 PolarHBondContact O-OG 3.24Å; V34-S37 VanDerWaalsContact O-OG 3.04Å; S37-L39 PolarHBondContact O-N 3.43Å; S37-C40 PolarHBondContact O-N 2.04Å; S37-Y41 WeakPolarHBondContact O-CB 3.35Å; S37-Y41 PolarHBondContact O-N 3.42Å; S37-S100 WeakPolarHBondContact CB-OG 3.18Å
38	K	70.8	Confident	63.3	Low	149 Å²	149	75.2 Å²	75.2	65%	0.648	40%	0.398	S	S	*	.	H	α-helix	trans	-61.4	-42.6	174.7	-77.3	-176.9	178	-176.2	0	112.8	V34 G35 R36 Y41 S42	V34-K38 WeakPolarHBondContact O-CG 3.47Å; V34-K38 PolarHBondContact O-N 2.91Å; G35-K38 PolarHBondContact O-N 3.34Å; R36-K38 PolarHBondContact O-N 2.72Å; K38-Y41 PolarHBondContact O-N 2.84Å; K38-S42 PolarHBondContact O-N 2.86Å; K38-S42 PolarHBondContact O-OG 3.3Å
39	L	76.1	Confident	64.5	Low	77 Å²	77	78.4 Å²	78.4	40%	0.403	40%	0.4	S	S	.	.	H	α-helix	trans	-64.1	-42.1	176.4	-177.3	70.2	0	0	0	112	V23 G35 R36 S37 S42 R43	V23-L39 HydrophobicContact CG2-CD2 4.43Å; G35-L39 PolarHBondContact O-N 3.46Å; R36-L39 PolarHBondContact O-N 2.89Å; S37-L39 PolarHBondContact O-N 3.43Å; L39-S42 PolarHBondContact O-N 2.89Å; L39-S42 PolarHBondContact O-OG 3.35Å; L39-R43 WeakPolarHBondContact O-CG 3.16Å; L39-R43 PolarHBondContact O-N 2.85Å; L39-R43 VanDerWaalsContact O-N 3.14Å
40	C	79.7	Confident	65.5	Low	1 Å²	1	80.5 Å²	80.5	1%	0.007	40%	0.402	C	S	.	.	H	α-helix	trans	-71.3	-34.8	178.5	-69.3	0	0	0	0	112.5	F16 C19 L20 R36 S37 R43 L44	F16-C40 HydrophobicContact CD2-CB 3.67Å; F16-C40 HydrophobicContact CE2-CB 3.7Å; C19-C40 HydrophobicContact CB-CB 3.65Å; C19-C40 WeakPolarHBondContact CB-SG 3.33Å; C19-C40 WeakPolarHBondContact SG-CA 3.32Å; C19-C40 WeakPolarHBondContact SG-CB 3.41Å; C19-C40 CovalentContact SG-SG 2.05Å; C19-C40 PolarHBondContact SG-SG 3.43Å; L20-C40 HydrophobicContact CD2-CB 4.5Å; L20-C40 PolarHBondContact N-SG 3.11Å; R36-C40 PolarHBondContact O-N 3Å; R36-C40 PolarHBondContact O-SG 3.36Å; S37-C40 PolarHBondContact O-N 2.04Å; C40-R43 PolarHBondContact O-N 3.36Å; C40-L44 PolarHBondContact O-N 2.78Å
41	Y	77.8	Confident	66.1	Low	15 Å²	15	85.5 Å²	85.5	6%	0.059	41%	0.414	C	S	.	.	H	α-helix	trans	-63.7	-45	171.3	177.6	-100.5	0	0	0	112.2	S37 K38 R43 L44 E45 F101 I121 N123	S37-Y41 WeakPolarHBondContact O-CB 3.35Å; S37-Y41 PolarHBondContact O-N 3.42Å; K38-Y41 PolarHBondContact O-N 2.84Å; Y41-R43 VanDerWaalsContact C-N 3.3Å; Y41-R43 PolarHBondContact O-N 2.77Å; Y41-L44 WeakPolarHBondContact O-CB 3.3Å; Y41-L44 PolarHBondContact O-N 2.88Å; Y41-L44 VanDerWaalsContact O-N 3.1Å; Y41-E45 HydrophobicContact CD1-CG 4.32Å; Y41-E45 HydrophobicContact CE1-CG 3.75Å; Y41-E45 HydrophobicContact CE2-CG 4.32Å; Y41-E45 PolarHBondContact O-N 2.81Å; Y41-E45 PolarHBondContact OH-OE1 2.9Å; Y41-E45 VanDerWaalsContact OH-OE1 3.08Å; Y41-F101 HydrophobicContact CD2-CB 3.64Å; Y41-F101 AromaticContact CD2-CD1 3.88Å; Y41-F101 HydrophobicContact CD2-CD1 3.88Å; Y41-F101 AromaticContact CD2-CG 3.9Å; Y41-F101 HydrophobicContact CD2-CG 3.9Å; Y41-F101 HydrophobicContact CE2-CB 3.56Å; Y41-F101 HydrophobicContact CE2-CG 4.11Å; Y41-I121 HydrophobicContact CE2-CG2 3.94Å; Y41-N123 HydrophobicContact CD1-CB 4.36Å; Y41-N123 HydrophobicContact CE1-CB 3.66Å; Y41-N123 HydrophobicContact CE2-CB 4.28Å; Y41-N123 PolarHBondContact OH-N 2.89Å
42	S	76.9	Confident	66.5	Low	52 Å²	52	83 Å²	83	36%	0.364	42%	0.423	S	S	.	.	H	α-helix	trans	-64.8	-33.9	179	66.3	0	0	0	0	112.8	K38 L39 S46	K38-S42 PolarHBondContact O-N 2.86Å; K38-S42 PolarHBondContact O-OG 3.3Å; L39-S42 PolarHBondContact O-N 2.89Å; L39-S42 PolarHBondContact O-OG 3.35Å; S42-S46 PolarHBondContact O-N 2.88Å; S42-S46 PolarHBondContact O-OG 2.86Å
43	R	76.3	Confident	66.6	Low	129 Å²	129	80.3 Å²	80.3	49%	0.487	42%	0.417	S	S	.	.	H	α-helix	trans	-64.1	-43.8	170.1	-74.6	179.9	177.6	-172.7	-0.1	112.1	L39 C40 Y41 S46 L47	L39-R43 WeakPolarHBondContact O-CG 3.16Å; L39-R43 PolarHBondContact O-N 2.85Å; L39-R43 VanDerWaalsContact O-N 3.14Å; C40-R43 PolarHBondContact O-N 3.36Å; Y41-R43 VanDerWaalsContact C-N 3.3Å; Y41-R43 PolarHBondContact O-N 2.77Å; R43-S46 PolarHBondContact O-N 2.86Å; R43-L47 WeakPolarHBondContact O-CG 3.49Å; R43-L47 PolarHBondContact O-N 2.93Å
44	L	78.2	Confident	66.9	Low	5 Å²	5	77.6 Å²	77.6	3%	0.026	40%	0.4	C	S	.	.	H	α-helix	trans	-61.9	-42.9	176.7	-178.7	68.2	0	0	0	111.9	A12 H15 C40 Y41 S46 L47 K48 W54 F101 I121	A12-L44 HydrophobicContact CB-CD1 4.19Å; A12-L44 HydrophobicContact CB-CD2 4.3Å; H15-L44 HydrophobicContact CB-CD1 4.24Å; C40-L44 PolarHBondContact O-N 2.78Å; Y41-L44 WeakPolarHBondContact O-CB 3.3Å; Y41-L44 PolarHBondContact O-N 2.88Å; Y41-L44 VanDerWaalsContact O-N 3.1Å; L44-S46 VanDerWaalsContact C-N 3.32Å; L44-S46 PolarHBondContact O-N 2.87Å; L44-L47 PolarHBondContact O-N 3Å; L44-K48 PolarHBondContact O-N 3.02Å; L44-W54 HydrophobicContact CD1-CH2 4.39Å; L44-W54 HydrophobicContact CD1-CZ3 4Å; L44-F101 HydrophobicContact CD2-CE1 4.43Å; L44-F101 HydrophobicContact CD2-CE2 4.29Å; L44-F101 HydrophobicContact CD2-CZ 4.05Å; L44-I121 HydrophobicContact CD2-CD1 4.01Å; L44-I121 HydrophobicContact CD2-CG2 4.45Å; L44-I121 HydrophobicContact CG-CD1 4.42Å
45	E	73.4	Confident	67.2	Low	71 Å²	71	74.1 Å²	74.1	33%	0.332	38%	0.38	S	S	.	.	H	α-helix	trans	-61	-40.6	173.9	-78.2	-158.4	139.9	0	0	112.5	Y41 K48 R49	Y41-E45 HydrophobicContact CD1-CG 4.32Å; Y41-E45 HydrophobicContact CE1-CG 3.75Å; Y41-E45 HydrophobicContact CE2-CG 4.32Å; Y41-E45 PolarHBondContact O-N 2.81Å; Y41-E45 PolarHBondContact OH-OE1 2.9Å; Y41-E45 VanDerWaalsContact OH-OE1 3.08Å; E45-K48 PolarHBondContact O-N 2.7Å; E45-R49 WeakPolarHBondContact O-CG 3.44Å; E45-R49 PolarHBondContact O-N 2.76Å
46	S	74.5	Confident	67	Low	60 Å²	60	76.6 Å²	76.6	42%	0.42	38%	0.382	S	S	.	.	H	α-helix	trans	-64.9	-45.7	178.5	-56.1	0	0	0	0	111.1	S42 R43 L44 K48 R49 E50	S42-S46 PolarHBondContact O-N 2.88Å; S42-S46 PolarHBondContact O-OG 2.86Å; R43-S46 PolarHBondContact O-N 2.86Å; L44-S46 VanDerWaalsContact C-N 3.32Å; L44-S46 PolarHBondContact O-N 2.87Å; S46-K48 VanDerWaalsContact C-N 3.31Å; S46-K48 PolarHBondContact O-N 2.79Å; S46-R49 PolarHBondContact O-N 2.71Å; S46-R49 VanDerWaalsContact O-N 3.11Å; S46-E50 WeakPolarHBondContact O-CG 3.44Å; S46-E50 PolarHBondContact O-N 3.33Å; S46-E50 VanDerWaalsContact O-N 3.1Å
47	L	70	Confident	66	Low	67 Å²	67	81.8 Å²	81.8	35%	0.351	41%	0.409	S	S	.	.	H	α-helix	trans	-59.1	-40.4	175.8	-73.7	168.2	0	0	0	112.5	R43 L44 R49 E50	R43-L47 WeakPolarHBondContact O-CG 3.49Å; R43-L47 PolarHBondContact O-N 2.93Å; L44-L47 PolarHBondContact O-N 3Å; L47-R49 VanDerWaalsContact C-N 3.3Å; L47-R49 PolarHBondContact O-N 3.18Å; L47-E50 PolarHBondContact O-N 2.8Å
48	K	68.4	Low	65	Low	90 Å²	90	87.6 Å²	87.6	39%	0.391	44%	0.444	S	S	.	.	H	α-helix	trans	-65.2	-31.9	177.5	-171.5	177.3	177.9	177.9	0	112.5	L44 E45 S46	L44-K48 PolarHBondContact O-N 3.02Å; E45-K48 PolarHBondContact O-N 2.7Å; S46-K48 VanDerWaalsContact C-N 3.31Å; S46-K48 PolarHBondContact O-N 2.79Å
49	R	61.4	Low	63.9	Low	207 Å²	207	84 Å²	84	78%	0.781	43%	0.434	S	S	*	.	H	α-helix	trans	-77.2	-32.1	176.8	-70.5	-178.5	-167.1	-173.1	6	112.8	E45 S46 L47	E45-R49 WeakPolarHBondContact O-CG 3.44Å; E45-R49 PolarHBondContact O-N 2.76Å; S46-R49 PolarHBondContact O-N 2.71Å; S46-R49 VanDerWaalsContact O-N 3.11Å; L47-R49 VanDerWaalsContact C-N 3.3Å; L47-R49 PolarHBondContact O-N 3.18Å
50	E	59.6	Low	62.3	Low	151 Å²	151	83 Å²	83	71%	0.706	43%	0.434	S	S	*	.	H	α-helix	trans	-86.2	-24.3	-168.3	-74.6	-179.3	174.5	0	0	115	S46 L47	S46-E50 WeakPolarHBondContact O-CG 3.44Å; S46-E50 PolarHBondContact O-N 3.33Å; S46-E50 VanDerWaalsContact O-N 3.1Å; L47-E50 PolarHBondContact O-N 2.8Å
51	K	52.8	Low	60.8	Low	139 Å²	139	91.9 Å²	91.9	60%	0.604	47%	0.467	S	S	*	.			trans	-151.4	136.5	179	-69.9	-172.7	-179.9	175	0	114	S53 W54	K51-S53 PolarHBondContact O-N 3.18Å; K51-W54 VanDerWaalsContact O-CD1 3.24Å
52	A	50.1	Low	59.3	Low	117 Å²	117	102.1 Å²	102.1	97%	0.967	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.2	163.2	0	0	0	0	0	113.3
53	S	52.8	Low	57.7	Low	56 Å²	56	102 Å²	102	39%	0.392	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	18.4	-175.4	73.9	0	0	0	0	114.3	K51 C55	K51-S53 PolarHBondContact O-N 3.18Å; S53-C55 PolarHBondContact O-N 3.03Å
54	W	58.2	Low	56.2	Low	40 Å²	40	97.2 Å²	97.2	15%	0.152	49%	0.491	C	S	.	.	S	Bend	trans	-64.3	-8.8	-177.1	70.2	-76.3	0	0	0	114.1	Q8 C11 A12 H15 L44 K51	Q8-W54 WeakPolarHBondContact O-CH2 3.34Å; C11-W54 HydrophobicContact CB-CE3 4.4Å; C11-W54 HydrophobicContact CB-CH2 4Å; C11-W54 HydrophobicContact CB-CZ3 3.84Å; A12-W54 VanDerWaalsContact CA-CH2 3.42Å; A12-W54 HydrophobicContact CB-CH2 3.63Å; A12-W54 HydrophobicContact CB-CZ3 4.29Å; A12-W54 VanDerWaalsContact N-CH2 3.3Å; H15-W54 AromaticContact CD2-CE3 3.79Å; H15-W54 AromaticContact CD2-CZ3 3.81Å; L44-W54 HydrophobicContact CD1-CH2 4.39Å; L44-W54 HydrophobicContact CD1-CZ3 4Å; K51-W54 VanDerWaalsContact O-CD1 3.24Å
55	C	59	Low	55	Low	23 Å²	23	98.3 Å²	98.3	16%	0.155	50%	0.496	C	S	.	.	S	Bend	trans	-124.5	65.2	179.6	-175	0	0	0	0	109.3	Q7 C11 S53	Q7-C55 PolarHBondContact O-SG 2.88Å; Q7-C55 VanDerWaalsContact O-SG 3.41Å; C11-C55 HydrophobicContact CB-CB 3.6Å; C11-C55 WeakPolarHBondContact CB-SG 3.19Å; C11-C55 WeakPolarHBondContact SG-CB 3.47Å; C11-C55 CovalentContact SG-SG 2.02Å; C11-C55 PolarHBondContact SG-SG 3.05Å; S53-C55 PolarHBondContact O-N 3.03Å
56	D	55	Low	53.7	Low	95 Å²	95	98.3 Å²	98.3	51%	0.508	50%	0.504	S	S	.	.			trans	-73.9	145.7	170.3	-85.7	-28.2	0	0	0	110.1	T58 T59	D56-T58 PolarHBondContact O-N 2.92Å; D56-T59 PolarHBondContact O-N 3.05Å; D56-T59 PolarHBondContact O-OG1 2.94Å
57	E	47.5	Very low	52.5	Low	163 Å²	163	103.2 Å²	103.2	76%	0.762	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-20.5	-175.3	-68.8	-178	153.5	0	0	114.2	S60	E57-S60 PolarHBondContact O-N 2.91Å; E57-S60 PolarHBondContact O-OG 3.08Å; E57-S60 VanDerWaalsContact O-OG 3.09Å
58	T	46.3	Very low	51.6	Low	132 Å²	132	104.3 Å²	104.3	81%	0.81	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-25.7	176.8	48.6	0	0	0	0	114.5	D56	D56-T58 PolarHBondContact O-N 2.92Å
59	T	48.9	Very low	50.9	Low	73 Å²	73	101.9 Å²	101.9	45%	0.448	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-9.5	175.1	18.7	0	0	0	0	112.7	D56 R61	D56-T59 PolarHBondContact O-N 3.05Å; D56-T59 PolarHBondContact O-OG1 2.94Å; T59-R61 PolarHBondContact O-N 3.06Å
60	S	42.7	Very low	50.7	Low	57 Å²	57	96.2 Å²	96.2	40%	0.399	51%	0.506	S	S	.	.			trans	-80.7	61.7	176.3	82.2	0	0	0	0	112.1	E57 R62	E57-S60 PolarHBondContact O-N 2.91Å; E57-S60 PolarHBondContact O-OG 3.08Å; E57-S60 VanDerWaalsContact O-OG 3.09Å; S60-R62 VanDerWaalsContact C-N 3.27Å; S60-R62 PolarHBondContact O-N 3.17Å
61	R	46.9	Very low	50.6	Low	187 Å²	187	92.2 Å²	92.2	71%	0.706	49%	0.487	S	S	*	.			trans	-70	95.2	158.5	-96.2	-174.5	179.6	-174.6	1.4	107.3	T59 S63 V64	T59-R61 PolarHBondContact O-N 3.06Å; R61-S63 WeakPolarHBondContact CB-OG 3.17Å; R61-S63 WeakPolarHBondContact CD-OG 3.45Å; R61-S63 PolarHBondContact O-N 3.12Å; R61-V64 HydrophobicContact CB-CG2 3.97Å; R61-V64 PolarHBondContact O-N 3Å
62	R	46.2	Very low	50.6	Low	230 Å²	230	88.3 Å²	88.3	87%	0.868	48%	0.475	S	S	*	.	H	α-helix	trans	-42.8	-23.9	159.4	-102.5	-178.2	179.5	168.6	1.4	111.9	S60 S66	S60-R62 VanDerWaalsContact C-N 3.27Å; S60-R62 PolarHBondContact O-N 3.17Å; R62-S66 PolarHBondContact O-N 2.91Å
63	S	42.9	Very low	50.8	Low	51 Å²	51	85 Å²	85	36%	0.357	45%	0.448	S	S	.	.	H	α-helix	trans	-69.3	-24.6	176.5	74.5	0	0	0	0	115.3	R61 L65 S66	R61-S63 WeakPolarHBondContact CB-OG 3.17Å; R61-S63 WeakPolarHBondContact CD-OG 3.45Å; R61-S63 PolarHBondContact O-N 3.12Å; S63-L65 VanDerWaalsContact C-N 3.3Å; S63-L65 PolarHBondContact O-N 3.47Å; S63-S66 WeakPolarHBondContact CA-OG 3.45Å; S63-S66 PolarHBondContact O-N 3.38Å; S63-S66 PolarHBondContact O-OG 2.93Å
64	V	46.3	Very low	50.8	Low	28 Å²	28	85 Å²	85	17%	0.17	44%	0.443	C	S	.	.	H	α-helix	trans	-71.1	-32.5	179	-179.7	0	0	0	0	110.8	R61	R61-V64 HydrophobicContact CB-CG2 3.97Å; R61-V64 PolarHBondContact O-N 3Å
65	L	51.5	Low	50.2	Low	28 Å²	28	88.8 Å²	88.8	15%	0.147	46%	0.463	C	S	.	.	H	α-helix	trans	-81.9	-21.8	178.2	-59.1	172.8	0	0	0	112.5	I13 S63 L69	I13-L65 HydrophobicContact CB-CD2 4.21Å; I13-L65 HydrophobicContact CG2-CD2 3.78Å; S63-L65 VanDerWaalsContact C-N 3.3Å; S63-L65 PolarHBondContact O-N 3.47Å; L65-L69 HydrophobicContact CB-CD1 3.77Å; L65-L69 HydrophobicContact CD2-CD1 3.15Å; L65-L69 HydrophobicContact CD2-CG 4.39Å; L65-L69 HydrophobicContact CG-CD1 4Å
66	S	47.3	Very low	49.6	Very low	71 Å²	71	95.1 Å²	95.1	50%	0.497	50%	0.495	S	S	.	.	H	α-helix	trans	-81	-17.2	-173.1	62.9	0	0	0	0	115.2	R62 S63	R62-S66 PolarHBondContact O-N 2.91Å; S63-S66 WeakPolarHBondContact CA-OG 3.45Å; S63-S66 PolarHBondContact O-N 3.38Å; S63-S66 PolarHBondContact O-OG 2.93Å
67	E	49	Very low	49.2	Very low	162 Å²	162	91.3 Å²	91.3	76%	0.757	48%	0.475	S	S	*	.	H	α-helix	trans	-109.3	-19.3	-173.8	-69.5	-177.4	172.9	0	0	114.5
68	N	50.6	Low	49.5	Very low	91 Å²	91	88.6 Å²	88.6	49%	0.487	47%	0.472	S	S	.	.	H	α-helix	trans	-129.9	-2.9	-167.3	-91.1	34.5	0	0	0	116.5	R21	R21-N68 VanDerWaalsContact NH2-CG 3.35Å; R21-N68 PolarHBondContact NH2-ND2 2.84Å
69	L	54.9	Low	50	Low	39 Å²	39	83.3 Å²	83.3	20%	0.204	44%	0.439	C	S	.	.			trans	-101.3	115.7	-178.1	-74.1	171.7	0	0	0	111.1	I13 L17 L65 G149 L151	I13-L69 HydrophobicContact CG2-CD1 4.16Å; I13-L69 HydrophobicContact CG2-CD2 4.29Å; L17-L69 HydrophobicContact CD1-CD2 3.84Å; L17-L69 HydrophobicContact CD1-CG 4.21Å; L65-L69 HydrophobicContact CB-CD1 3.77Å; L65-L69 HydrophobicContact CD2-CD1 3.15Å; L65-L69 HydrophobicContact CD2-CG 4.39Å; L65-L69 HydrophobicContact CG-CD1 4Å; L69-G149 WeakPolarHBondContact CD2-O 3.38Å; L69-L151 HydrophobicContact CB-CD1 4.17Å; L69-L151 HydrophobicContact CD1-CD1 3.39Å; L69-L151 HydrophobicContact CD2-CD1 3.5Å; L69-L151 VanDerWaalsContact CD2-CD1 3.5Å; L69-L151 HydrophobicContact CD2-CG 3.77Å; L69-L151 HydrophobicContact CG-CD1 3.87Å
70	T	55.6	Low	50.5	Low	87 Å²	87	80.6 Å²	80.6	53%	0.534	42%	0.424	S	S	.	.			trans	-83	114.4	165.2	-35	0	0	0	0	108.1	T150 L151	T70-T150 WeakPolarHBondContact O-CG2 3.47Å; T70-L151 PolarHBondContact O-N 2.04Å
71	E	57.6	Low	51.2	Low	67 Å²	67	79.6 Å²	79.6	31%	0.313	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	116.6	174.2	160.8	157.3	-152.9	0	0	109.4	H3 F153	H3-E71 WeakPolarHBondContact CB-OE1 3.13Å; H3-E71 IonicContact CD2-OE1 2.83Å; H3-E71 PolarHBondContact CD2-OE1 2.89Å; H3-E71 IonicContact CG-OE1 3.79Å; H3-E71 PolarHBondContact N-OE1 2.95Å; E71-F153 HydrophobicContact CB-CD2 3.93Å; E71-F153 HydrophobicContact CB-CE2 3.31Å; E71-F153 HydrophobicContact CB-CZ 3.96Å; E71-F153 HydrophobicContact CG-CD2 3.39Å; E71-F153 HydrophobicContact CG-CE1 4.36Å; E71-F153 HydrophobicContact CG-CE2 3.14Å; E71-F153 HydrophobicContact CG-CG 4.12Å; E71-F153 HydrophobicContact CG-CZ 3.66Å; E71-F153 WeakPolarHBondContact OE1-CD1 3.41Å; E71-F153 WeakPolarHBondContact OE1-CE1 3.42Å; E71-F153 VanDerWaalsContact OE1-CZ 3.23Å; E71-F153 WeakPolarHBondContact OE1-CZ 3.42Å
72	V	52.8	Low	51.8	Low	58 Å²	58	77.2 Å²	77.2	35%	0.352	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	107.6	173.9	-175.7	0	0	0	0	108.2	L74 T150 L151 L152 F153	V72-L74 HydrophobicContact CG1-CG 4.48Å; V72-T150 HydrophobicContact CG2-CG2 4.24Å; V72-L151 PolarHBondContact N-O 2.89Å; V72-L152 HydrophobicContact CB-CD2 3.82Å; V72-L152 HydrophobicContact CG1-CD2 4.27Å; V72-L152 HydrophobicContact CG2-CD2 4.32Å; V72-F153 PolarHBondContact O-N 3.44Å
73	A	55.5	Low	52.2	Low	48 Å²	48	69 Å²	69	40%	0.397	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	119	169	0	0	0	0	0	109.1
74	L	52.9	Low	52.8	Low	55 Å²	55	69.6 Å²	69.6	29%	0.288	38%	0.376	S	S	.	.			trans	-95.9	102.3	171.3	-71	162.1	0	0	0	107.1	V72 D76 L152 F153 F154	V72-L74 HydrophobicContact CG1-CG 4.48Å; L74-D76 PolarHBondContact O-N 2.83Å; L74-D76 VanDerWaalsContact O-N 3.15Å; L74-L152 HydrophobicContact CD1-CB 4.35Å; L74-L152 HydrophobicContact CD1-CD1 4.29Å; L74-L152 HydrophobicContact CD1-CD2 4.34Å; L74-F153 PolarHBondContact N-O 3.08Å; L74-F154 HydrophobicContact CD1-CD1 4.18Å; L74-F154 HydrophobicContact CD1-CE1 3.6Å
75	E	44.6	Very low	53.1	Low	120 Å²	120	69.8 Å²	69.8	56%	0.561	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.8	-171.4	-63.3	-158.3	134.8	0	0	113.7	K157	E75-K157 IonicContact OE1-NZ 2.93Å; E75-K157 PolarHBondContact OE1-NZ 2.87Å
76	D	45.7	Very low	53.2	Low	156 Å²	156	68.9 Å²	68.9	83%	0.834	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.3	26.4	-173.2	-64.9	-48.7	0	0	0	114.6	L74 P78	L74-D76 PolarHBondContact O-N 2.83Å; L74-D76 VanDerWaalsContact O-N 3.15Å; D76-P78 WeakPolarHBondContact O-CD 3.07Å
77	S	47.4	Very low	53.8	Low	14 Å²	14	69.5 Å²	69.5	10%	0.098	37%	0.368	C	S	.	.			trans	-95.7	102.6	-179.9	-165.3	0	0	0	0	111.6	V79 P94 Y96 F154	S77-V79 PolarHBondContact O-N 2.79Å; S77-P94 WeakPolarHBondContact OG-CG 3.41Å; S77-Y96 PolarHBondContact OG-OH 2.84Å; S77-F154 WeakPolarHBondContact OG-CD1 3.42Å
78	P	53.7	Low	54.5	Low	106 Å²	106	65.1 Å²	65.1	69%	0.688	35%	0.347	S	S	*	.			trans	-80.5	107.7	-170.6	31.5	-33.6	0	0	0	110.8	D76 A80	D76-P78 WeakPolarHBondContact O-CD 3.07Å; P78-A80 PolarHBondContact O-N 2.84Å; P78-A80 VanDerWaalsContact O-N 3.13Å
79	V	58.1	Low	55.3	Low	21 Å²	21	60.8 Å²	60.8	13%	0.127	32%	0.324	C	S	.	.			trans	-63.2	112	157.9	178.2	0	0	0	0	107.1	S77 V81 I91 A142 F154	S77-V79 PolarHBondContact O-N 2.79Å; V79-V81 HydrophobicContact CG1-CG2 4.39Å; V79-I91 HydrophobicContact CG1-CG2 3.39Å; V79-A142 HydrophobicContact CG2-CB 3.72Å; V79-F154 HydrophobicContact CG2-CB 3.9Å
80	A	59.4	Low	56	Low	16 Å²	16	61.1 Å²	61.1	13%	0.132	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	125.3	-179.2	0	0	0	0	0	109.7	P78 I91 Y92	P78-A80 PolarHBondContact O-N 2.84Å; P78-A80 VanDerWaalsContact O-N 3.13Å; A80-I91 CarbonylContact O-C 3.53Å; A80-I91 WeakPolarHBondContact O-CA 3.26Å; A80-Y92 HydrophobicContact CB-CD2 4.21Å; A80-Y92 PolarHBondContact N-O 2.85Å; A80-Y92 WeakPolarHBondContact O-CD2 3.18Å; A80-Y92 PolarHBondContact O-N 3.2Å
81	V	57.3	Low	56.7	Low	36 Å²	36	57 Å²	57	22%	0.218	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.3	177.6	-173.4	0	0	0	0	109.6	V79 L89 Q90 I91 I140	V79-V81 HydrophobicContact CG1-CG2 4.39Å; V81-L89 HydrophobicContact CG1-CB 4.25Å; V81-L89 HydrophobicContact CG1-CD1 4.29Å; V81-L89 HydrophobicContact CG1-CD2 4.03Å; V81-L89 HydrophobicContact CG1-CG 4.43Å; V81-Q90 CarbonylContact C-O 3.48Å; V81-Q90 WeakPolarHBondContact CA-O 3.23Å; V81-I91 HydrophobicContact CG1-CG1 4.38Å; V81-I91 HydrophobicContact CG2-CG1 4.36Å; V81-I140 HydrophobicContact CG1-CD1 4.28Å; V81-I140 HydrophobicContact CG2-CD1 3.92Å
82	R	57.9	Low	57.2	Low	138 Å²	138	54.9 Å²	54.9	52%	0.521	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	137.1	176.5	176.6	-179.2	177.5	177.3	1	109.2	L89 Q90 Y92	R82-L89 CarbonylContact O-C 3.55Å; R82-L89 WeakPolarHBondContact O-CA 3.44Å; R82-Q90 HydrophobicContact CB-CB 4.43Å; R82-Q90 PolarHBondContact N-O 2.04Å; R82-Q90 PolarHBondContact O-N 3.01Å; R82-Y92 HydrophobicContact CB-CE2 4.15Å
83	F	55.9	Low	58.1	Low	57 Å²	57	52.5 Å²	52.5	25%	0.25	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	128.5	168.2	-67.2	-98	0	0	0	110	L89 I163 F164	F83-L89 HydrophobicContact CD1-CD2 3.4Å; F83-L89 VanDerWaalsContact CD1-CD2 3.4Å; F83-L89 HydrophobicContact CD2-CD2 4.21Å; F83-L89 HydrophobicContact CE1-CD2 3.52Å; F83-L89 HydrophobicContact CE2-CD2 4.29Å; F83-L89 HydrophobicContact CG-CD2 3.81Å; F83-L89 HydrophobicContact CZ-CD2 4.01Å; F83-I163 HydrophobicContact CE1-CG2 3.59Å; F83-I163 HydrophobicContact CE2-CG2 4.4Å; F83-I163 HydrophobicContact CZ-CB 4.07Å; F83-I163 HydrophobicContact CZ-CG2 3.24Å; F83-F164 VanDerWaalsContact CZ-O 3.24Å; F83-F164 WeakPolarHBondContact CZ-O 3.44Å
84	I	54.6	Low	58.4	Low	63 Å²	63	51.4 Å²	51.4	32%	0.323	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-45.4	164.9	-56.5	178.5	0	0	0	108.2	E88 Q90 L197	I84-E88 HydrophobicContact CB-CB 4.1Å; I84-E88 PolarHBondContact N-O 3.48Å; I84-Q90 HydrophobicContact CD1-CB 3.92Å; I84-Q90 HydrophobicContact CD1-CG 4.4Å; I84-Q90 HydrophobicContact CG1-CB 3.85Å; I84-L197 WeakPolarHBondContact O-CD1 3.22Å
85	N	52.2	Low	59	Low	32 Å²	32	51.6 Å²	51.6	17%	0.171	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	-175.9	174.3	56.8	59.2	0	0	0	110	H87 E88 L197	N85-H87 PolarHBondContact O-N 2.78Å; N85-H87 VanDerWaalsContact O-N 3.11Å; N85-H87 VanDerWaalsContact OD1-C 3.31Å; N85-H87 WeakPolarHBondContact OD1-CA 3.41Å; N85-H87 PolarHBondContact OD1-N 2.78Å; N85-E88 PolarHBondContact N-O 3.21Å; N85-E88 PolarHBondContact ND2-OE2 3.29Å; N85-E88 PolarHBondContact O-N 3.37Å; N85-E88 WeakPolarHBondContact OD1-CB 3.26Å; N85-E88 PolarHBondContact OD1-N 2.99Å; N85-L197 HydrophobicContact CB-CB 3.45Å; N85-L197 VanDerWaalsContact CB-CB 3.45Å; N85-L197 HydrophobicContact CB-CD1 3.93Å; N85-L197 HydrophobicContact CB-CG 4.17Å
86	A	53.9	Low	59.9	Low	10 Å²	10	49.7 Å²	49.7	8%	0.083	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.3	177.8	0	0	0	0	0	114.3	A134 L197	A86-A134 HydrophobicContact CB-CB 4.09Å; A86-A134 WeakPolarHBondContact O-CA 3.1Å; A86-A134 WeakPolarHBondContact O-CB 3.44Å; A86-L197 PolarHBondContact N-O 2.79Å
87	H	60.6	Low	60.5	Low	84 Å²	84	47.3 Å²	47.3	39%	0.389	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	1.7	-176	-69.7	-79.4	0	0	0	114.1	N85 S130 L131	N85-H87 PolarHBondContact O-N 2.78Å; N85-H87 VanDerWaalsContact O-N 3.11Å; N85-H87 VanDerWaalsContact OD1-C 3.31Å; N85-H87 WeakPolarHBondContact OD1-CA 3.41Å; N85-H87 PolarHBondContact OD1-N 2.78Å; H87-S130 CarbonylContact O-C 3.53Å; H87-S130 VanDerWaalsContact O-CA 3.24Å; H87-S130 WeakPolarHBondContact O-CA 3.3Å; H87-L131 PolarHBondContact ND1-O 2.97Å; H87-L131 PolarHBondContact O-N 2.96Å
88	E	63	Low	61.4	Low	69 Å²	69	53.2 Å²	53.2	32%	0.322	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	126.3	-173.6	-68.7	-177	148.9	0	0	111.8	I84 N85 Y129	I84-E88 HydrophobicContact CB-CB 4.1Å; I84-E88 PolarHBondContact N-O 3.48Å; N85-E88 PolarHBondContact N-O 3.21Å; N85-E88 PolarHBondContact ND2-OE2 3.29Å; N85-E88 PolarHBondContact O-N 3.37Å; N85-E88 WeakPolarHBondContact OD1-CB 3.26Å; N85-E88 PolarHBondContact OD1-N 2.99Å; E88-Y129 WeakPolarHBondContact CA-O 3.49Å
89	L	67.3	Low	62.2	Low	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.2	174.8	-62.3	178.1	0	0	0	109.6	V81 R82 F83 I91 C128 Y129 L131 I140 I163	V81-L89 HydrophobicContact CG1-CB 4.25Å; V81-L89 HydrophobicContact CG1-CD1 4.29Å; V81-L89 HydrophobicContact CG1-CD2 4.03Å; V81-L89 HydrophobicContact CG1-CG 4.43Å; R82-L89 CarbonylContact O-C 3.55Å; R82-L89 WeakPolarHBondContact O-CA 3.44Å; F83-L89 HydrophobicContact CD1-CD2 3.4Å; F83-L89 VanDerWaalsContact CD1-CD2 3.4Å; F83-L89 HydrophobicContact CD2-CD2 4.21Å; F83-L89 HydrophobicContact CE1-CD2 3.52Å; F83-L89 HydrophobicContact CE2-CD2 4.29Å; F83-L89 HydrophobicContact CG-CD2 3.81Å; F83-L89 HydrophobicContact CZ-CD2 4.01Å; L89-I91 HydrophobicContact CB-CG1 4.44Å; L89-C128 CarbonylContact O-C 3.49Å; L89-C128 WeakPolarHBondContact O-CA 3.39Å; L89-Y129 HydrophobicContact CD1-CD1 4.23Å; L89-Y129 PolarHBondContact N-O 2.8Å; L89-Y129 PolarHBondContact O-N 3.5Å; L89-L131 HydrophobicContact CD1-CD1 4.1Å; L89-L131 HydrophobicContact CD1-CD2 3.72Å; L89-L131 HydrophobicContact CD1-CG 4.18Å; L89-L131 HydrophobicContact CD2-CD1 4.31Å; L89-L131 HydrophobicContact CG-CD1 3.96Å; L89-L131 HydrophobicContact CG-CD2 4.17Å; L89-L131 HydrophobicContact CG-CG 4.09Å; L89-I140 HydrophobicContact CD1-CD1 4.29Å; L89-I163 HydrophobicContact CD1-CD1 4.13Å
90	Q	70.7	Confident	62.9	Low	46 Å²	46	49.3 Å²	49.3	22%	0.215	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.6	164	-158.3	167.6	15.1	0	0	109	V81 R82 I84 Y92 T126 A127	V81-Q90 CarbonylContact C-O 3.48Å; V81-Q90 WeakPolarHBondContact CA-O 3.23Å; R82-Q90 HydrophobicContact CB-CB 4.43Å; R82-Q90 PolarHBondContact N-O 2.04Å; R82-Q90 PolarHBondContact O-N 3.01Å; I84-Q90 HydrophobicContact CD1-CB 3.92Å; I84-Q90 HydrophobicContact CD1-CG 4.4Å; I84-Q90 HydrophobicContact CG1-CB 3.85Å; Q90-Y92 HydrophobicContact CB-CE2 4.18Å; Q90-Y92 VanDerWaalsContact CD-CZ 3.48Å; Q90-Y92 HydrophobicContact CG-CE1 4.14Å; Q90-Y92 HydrophobicContact CG-CE2 3.92Å; Q90-Y92 PolarHBondContact NE2-OH 3.01Å; Q90-Y92 PolarHBondContact OE1-OH 3.23Å; Q90-T126 HydrophobicContact CG-CG2 3.73Å; Q90-A127 CarbonylContact C-O 3.55Å; Q90-A127 WeakPolarHBondContact CA-O 3.43Å
91	I	70.1	Confident	64	Low	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.2	-176	-58.2	175.6	0	0	0	107.7	V79 A80 V81 L89 F93 L104 T126 A127 I140	V79-I91 HydrophobicContact CG1-CG2 3.39Å; A80-I91 CarbonylContact O-C 3.53Å; A80-I91 WeakPolarHBondContact O-CA 3.26Å; V81-I91 HydrophobicContact CG1-CG1 4.38Å; V81-I91 HydrophobicContact CG2-CG1 4.36Å; L89-I91 HydrophobicContact CB-CG1 4.44Å; I91-F93 HydrophobicContact CG2-CD1 4.39Å; I91-F93 HydrophobicContact CG2-CE1 3.89Å; I91-F93 HydrophobicContact CG2-CZ 4.01Å; I91-L104 HydrophobicContact CD1-CD1 3.75Å; I91-L104 HydrophobicContact CD1-CD2 3.45Å; I91-L104 VanDerWaalsContact CD1-CD2 3.45Å; I91-L104 HydrophobicContact CD1-CG 4.24Å; I91-L104 HydrophobicContact CG2-CD1 4.37Å; I91-T126 CarbonylContact O-C 3.57Å; I91-T126 VanDerWaalsContact O-CA 3.31Å; I91-T126 WeakPolarHBondContact O-CA 2.98Å; I91-A127 HydrophobicContact CB-CB 4.38Å; I91-A127 PolarHBondContact N-O 2.86Å; I91-A127 PolarHBondContact O-N 3.28Å; I91-I140 HydrophobicContact CD1-CD1 4.36Å
92	Y	67.6	Low	65	Low	24 Å²	24	47.1 Å²	47.1	9%	0.094	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	117.4	-179.1	-57.6	-84.3	0	0	0	109	A80 R82 Q90 S125 T126 F593	A80-Y92 HydrophobicContact CB-CD2 4.21Å; A80-Y92 PolarHBondContact N-O 2.85Å; A80-Y92 WeakPolarHBondContact O-CD2 3.18Å; A80-Y92 PolarHBondContact O-N 3.2Å; R82-Y92 HydrophobicContact CB-CE2 4.15Å; Q90-Y92 HydrophobicContact CB-CE2 4.18Å; Q90-Y92 VanDerWaalsContact CD-CZ 3.48Å; Q90-Y92 HydrophobicContact CG-CE1 4.14Å; Q90-Y92 HydrophobicContact CG-CE2 3.92Å; Q90-Y92 PolarHBondContact NE2-OH 3.01Å; Q90-Y92 PolarHBondContact OE1-OH 3.23Å; Y92-S125 CarbonylContact C-O 3.5Å; Y92-S125 WeakPolarHBondContact CA-O 2.99Å; Y92-T126 HydrophobicContact CD1-CG2 3.55Å; Y92-T126 HydrophobicContact CE1-CG2 3.45Å; Y92-T126 VanDerWaalsContact CE1-CG2 3.45Å; Y92-T126 HydrophobicContact CG-CG2 4.49Å; Y92-F593 HydrophobicContact CD1-CD1 4.18Å; Y92-F593 AromaticContact CD1-CE1 3.08Å; Y92-F593 HydrophobicContact CD1-CE1 3.08Å; Y92-F593 AromaticContact CD1-CZ 3.36Å; Y92-F593 HydrophobicContact CD1-CZ 3.36Å; Y92-F593 HydrophobicContact CD2-CE1 4.13Å; Y92-F593 AromaticContact CD2-CZ 3.62Å; Y92-F593 HydrophobicContact CD2-CZ 3.62Å; Y92-F593 HydrophobicContact CE1-CD1 4.09Å; Y92-F593 AromaticContact CE1-CE1 3.14Å; Y92-F593 HydrophobicContact CE1-CE1 3.14Å; Y92-F593 AromaticContact CE1-CE2 3.99Å; Y92-F593 HydrophobicContact CE1-CE2 3.99Å; Y92-F593 AromaticContact CE1-CZ 3.09Å; Y92-F593 HydrophobicContact CE1-CZ 3.09Å; Y92-F593 HydrophobicContact CE2-CE1 4.2Å; Y92-F593 HydrophobicContact CE2-CE2 4.17Å; Y92-F593 AromaticContact CE2-CZ 3.4Å; Y92-F593 HydrophobicContact CE2-CZ 3.4Å; Y92-F593 AromaticContact CG-CE1 3.56Å; Y92-F593 HydrophobicContact CG-CE1 3.56Å; Y92-F593 AromaticContact CG-CZ 3.56Å; Y92-F593 HydrophobicContact CG-CZ 3.56Å; Y92-F593 AromaticContact CZ-CE1 3.7Å; Y92-F593 AromaticContact CZ-CE2 3.71Å; Y92-F593 AromaticContact CZ-CZ 3.07Å
93	F	70.9	Confident	66.1	Low	8 Å²	8	40.6 Å²	40.6	4%	0.035	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-89.5	146.7	177.2	-53.2	-73	0	0	0	110.5	I91 V95 Y102 L104 F122 S125 A127 A142	I91-F93 HydrophobicContact CG2-CD1 4.39Å; I91-F93 HydrophobicContact CG2-CE1 3.89Å; I91-F93 HydrophobicContact CG2-CZ 4.01Å; F93-V95 PolarHBondContact O-N 2.88Å; F93-Y102 HydrophobicContact CB-CD1 3.58Å; F93-Y102 HydrophobicContact CB-CD2 4.22Å; F93-Y102 HydrophobicContact CB-CE1 3.49Å; F93-Y102 VanDerWaalsContact CB-CE1 3.49Å; F93-Y102 HydrophobicContact CB-CE2 4.17Å; F93-Y102 HydrophobicContact CB-CG 3.94Å; F93-Y102 HydrophobicContact CD1-CD1 4.07Å; F93-Y102 HydrophobicContact CD1-CG 4.22Å; F93-Y102 HydrophobicContact CD2-CD1 4.32Å; F93-Y102 AromaticContact CD2-CD2 3.98Å; F93-Y102 HydrophobicContact CD2-CD2 3.98Å; F93-Y102 AromaticContact CD2-CG 3.84Å; F93-Y102 HydrophobicContact CD2-CG 3.84Å; F93-Y102 HydrophobicContact CE2-CG 4.39Å; F93-Y102 AromaticContact CG-CD1 3.74Å; F93-Y102 HydrophobicContact CG-CD1 3.74Å; F93-Y102 HydrophobicContact CG-CD2 4.2Å; F93-Y102 HydrophobicContact CG-CE1 4.19Å; F93-Y102 AromaticContact CG-CG 3.74Å; F93-Y102 HydrophobicContact CG-CG 3.74Å; F93-L104 HydrophobicContact CE1-CD1 4.16Å; F93-L104 HydrophobicContact CZ-CB 4.45Å; F93-L104 HydrophobicContact CZ-CD1 4.3Å; F93-F122 HydrophobicContact CE2-CB 4.13Å; F93-F122 AromaticContact CE2-CD2 3.91Å; F93-F122 HydrophobicContact CE2-CD2 3.91Å; F93-F122 HydrophobicContact CE2-CG 4.16Å; F93-F122 AromaticContact CZ-CD2 3.87Å; F93-F122 HydrophobicContact CZ-CD2 3.87Å; F93-F122 HydrophobicContact CZ-CE2 4.35Å; F93-S125 PolarHBondContact N-O 3.07Å; F93-A127 HydrophobicContact CE2-CB 3.58Å; F93-A127 HydrophobicContact CZ-CB 3.95Å; F93-A142 HydrophobicContact CD1-CB 3.83Å; F93-A142 HydrophobicContact CE1-CB 3.64Å
94	P	62.4	Low	67.3	Low	24 Å²	24	37.9 Å²	37.9	16%	0.156	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-67	131.8	172.2	5.7	2.6	0	0	0	110.5	S77 Y96 Y102 F154	S77-P94 WeakPolarHBondContact OG-CG 3.41Å; P94-Y96 HydrophobicContact CB-CE2 3.67Å; P94-Y96 HydrophobicContact CG-CE2 4.17Å; P94-Y96 WeakPolarHBondContact O-CD2 3.39Å; P94-Y102 WeakPolarHBondContact O-CE1 3.49Å; P94-Y102 PolarHBondContact O-OH 3.3Å; P94-F154 HydrophobicContact CG-CD1 4.05Å; P94-F154 HydrophobicContact CG-CE1 3.93Å; P94-F154 HydrophobicContact CG-CE2 4.45Å; P94-F154 HydrophobicContact CG-CG 4.37Å; P94-F154 HydrophobicContact CG-CZ 4.18Å
95	V	65.1	Low	68.5	Low	59 Å²	59	34.9 Å²	34.9	36%	0.358	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-83.8	122.8	-177.2	177.4	0	0	0	0	109.9	F93 Y102 N595	F93-V95 PolarHBondContact O-N 2.88Å; V95-Y102 WeakPolarHBondContact CA-OH 3.43Å; V95-N595 WeakPolarHBondContact CG2-ND2 3.16Å
96	Y	64.3	Low	69.7	Low	80 Å²	80	33.8 Å²	33.8	31%	0.314	17%	0.172	S	C	.	.			trans	-124.9	141.7	167.9	-52.4	-93.9	0	0	0	110.2	S77 P94 Y98 V99 L152 F154	S77-Y96 PolarHBondContact OG-OH 2.84Å; P94-Y96 HydrophobicContact CB-CE2 3.67Å; P94-Y96 HydrophobicContact CG-CE2 4.17Å; P94-Y96 WeakPolarHBondContact O-CD2 3.39Å; Y96-Y98 PolarHBondContact O-N 2.85Å; Y96-V99 HydrophobicContact CD2-CG2 4.11Å; Y96-V99 HydrophobicContact CG-CG2 4.4Å; Y96-V99 PolarHBondContact O-N 2.82Å; Y96-V99 VanDerWaalsContact O-N 3.1Å; Y96-L152 HydrophobicContact CD2-CD1 4.08Å; Y96-L152 HydrophobicContact CE2-CD1 4.28Å; Y96-L152 HydrophobicContact CG-CD1 4.24Å; Y96-F154 HydrophobicContact CD2-CE1 4.43Å; Y96-F154 AromaticContact CD2-CZ 3.88Å; Y96-F154 HydrophobicContact CD2-CZ 3.88Å; Y96-F154 AromaticContact CE2-CE1 3.43Å; Y96-F154 HydrophobicContact CE2-CE1 3.43Å; Y96-F154 VanDerWaalsContact CE2-CE1 3.43Å; Y96-F154 HydrophobicContact CE2-CE2 4.45Å; Y96-F154 AromaticContact CE2-CZ 3.27Å; Y96-F154 HydrophobicContact CE2-CZ 3.27Å; Y96-F154 AromaticContact CZ-CE1 3.93Å
97	S	58.7	Low	70.8	Confident	107 Å²	107	36.3 Å²	36.3	75%	0.748	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.1	-172.9	44.8	0	0	0	0	115
98	Y	65.6	Low	71.4	Confident	137 Å²	137	35.4 Å²	35.4	54%	0.537	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	7.6	-177.7	-55.4	-72.9	0	0	0	113.7	Y96 S100 L146 S147	Y96-Y98 PolarHBondContact O-N 2.85Å; Y98-S100 PolarHBondContact O-N 2.91Å; Y98-L146 CarbonylContact O-C 3.52Å; Y98-L146 VanDerWaalsContact O-CA 3.27Å; Y98-L146 WeakPolarHBondContact O-CA 3.49Å; Y98-S147 PolarHBondContact O-N 2.82Å
99	V	69.9	Low	71.6	Confident	30 Å²	30	35.7 Å²	35.7	18%	0.182	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	124.9	177.7	176.2	0	0	0	0	109.4	Y96 Y102 A144 L146	Y96-V99 HydrophobicContact CD2-CG2 4.11Å; Y96-V99 HydrophobicContact CG-CG2 4.4Å; Y96-V99 PolarHBondContact O-N 2.82Å; Y96-V99 VanDerWaalsContact O-N 3.1Å; V99-Y102 HydrophobicContact CG1-CD1 4.29Å; V99-Y102 HydrophobicContact CG1-CD2 4.13Å; V99-Y102 HydrophobicContact CG1-CE1 3.93Å; V99-Y102 HydrophobicContact CG1-CE2 3.72Å; V99-Y102 HydrophobicContact CG1-CG 4.39Å; V99-Y102 HydrophobicContact CG2-CE1 4.31Å; V99-A144 HydrophobicContact CG1-CB 4.16Å; V99-A144 HydrophobicContact CG2-CB 3.81Å; V99-L146 HydrophobicContact CB-CD2 4.42Å; V99-L146 HydrophobicContact CG2-CD2 3.65Å
100	S	74.1	Confident	71.4	Confident	15 Å²	15	39.3 Å²	39.3	11%	0.105	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-43.3	171.7	-59.6	0	0	0	0	110.8	F16 S37 Y98 V145 S147	F16-S100 VanDerWaalsContact CZ-CB 3.5Å; S37-S100 WeakPolarHBondContact CB-OG 3.18Å; Y98-S100 PolarHBondContact O-N 2.91Å; S100-V145 WeakPolarHBondContact CB-O 3.44Å; S100-V145 PolarHBondContact N-O 2.87Å; S100-S147 VanDerWaalsContact OG-CA 3.25Å; S100-S147 WeakPolarHBondContact OG-CA 3.48Å; S100-S147 PolarHBondContact OG-N 3.2Å
101	F	81	Confident	70.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	164	174.4	59.6	-86	0	0	0	111.6	F16 Y41 L44 I103 I121 F122 V145	F16-F101 HydrophobicContact CB-CE1 4.06Å; F16-F101 HydrophobicContact CB-CZ 4.13Å; F16-F101 AromaticContact CD1-CE1 3.67Å; F16-F101 HydrophobicContact CD1-CE1 3.67Å; F16-F101 HydrophobicContact CD1-CZ 4.24Å; F16-F101 HydrophobicContact CD2-CD1 4.31Å; F16-F101 AromaticContact CD2-CE1 3.58Å; F16-F101 HydrophobicContact CD2-CE1 3.58Å; F16-F101 HydrophobicContact CD2-CZ 4.46Å; F16-F101 AromaticContact CE1-CE1 3.9Å; F16-F101 HydrophobicContact CE1-CE1 3.9Å; F16-F101 HydrophobicContact CE2-CD1 4.22Å; F16-F101 AromaticContact CE2-CE1 3.83Å; F16-F101 HydrophobicContact CE2-CE1 3.83Å; F16-F101 AromaticContact CG-CE1 3.49Å; F16-F101 HydrophobicContact CG-CE1 3.49Å; F16-F101 VanDerWaalsContact CG-CE1 3.49Å; F16-F101 HydrophobicContact CG-CZ 4.04Å; F16-F101 HydrophobicContact CZ-CD1 4.4Å; F16-F101 AromaticContact CZ-CE1 3.99Å; F16-F101 HydrophobicContact CZ-CE1 3.99Å; Y41-F101 HydrophobicContact CD2-CB 3.64Å; Y41-F101 AromaticContact CD2-CD1 3.88Å; Y41-F101 HydrophobicContact CD2-CD1 3.88Å; Y41-F101 AromaticContact CD2-CG 3.9Å; Y41-F101 HydrophobicContact CD2-CG 3.9Å; Y41-F101 HydrophobicContact CE2-CB 3.56Å; Y41-F101 HydrophobicContact CE2-CG 4.11Å; L44-F101 HydrophobicContact CD2-CE1 4.43Å; L44-F101 HydrophobicContact CD2-CE2 4.29Å; L44-F101 HydrophobicContact CD2-CZ 4.05Å; F101-I103 HydrophobicContact CD2-CG1 3.92Å; F101-I103 HydrophobicContact CE2-CD1 3.85Å; F101-I103 HydrophobicContact CE2-CG1 3.66Å; F101-I121 HydrophobicContact CB-CG2 4.17Å; F101-I121 HydrophobicContact CD2-CG2 3.35Å; F101-I121 HydrophobicContact CE2-CG2 3.92Å; F101-I121 HydrophobicContact CG-CG2 3.98Å; F101-F122 CarbonylContact C-O 3.45Å; F101-F122 WeakPolarHBondContact CA-O 3.45Å; F101-F122 WeakPolarHBondContact CB-O 3.25Å; F101-V145 HydrophobicContact CD1-CB 4.12Å; F101-V145 HydrophobicContact CD2-CB 4.27Å; F101-V145 HydrophobicContact CD2-CG2 3.89Å; F101-V145 HydrophobicContact CE1-CB 3.73Å; F101-V145 HydrophobicContact CE1-CG1 3.81Å; F101-V145 HydrophobicContact CE1-CG2 4.01Å; F101-V145 HydrophobicContact CE2-CB 3.97Å; F101-V145 HydrophobicContact CE2-CG2 3.34Å; F101-V145 HydrophobicContact CG-CB 4.38Å; F101-V145 HydrophobicContact CG-CG2 4.49Å; F101-V145 HydrophobicContact CZ-CB 3.69Å; F101-V145 HydrophobicContact CZ-CG1 3.87Å; F101-V145 HydrophobicContact CZ-CG2 3.41Å; F101-V145 VanDerWaalsContact CZ-CG2 3.41Å; F101-V145 PolarHBondContact O-N 2.89Å
102	Y	80.1	Confident	69.8	Low	7 Å²	7	51.2 Å²	51.2	3%	0.027	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	145.8	172.7	-57	-85.1	0	0	0	110.7	F93 P94 V95 V99 I121 F122 N124 F143 A144 F154	F93-Y102 HydrophobicContact CB-CD1 3.58Å; F93-Y102 HydrophobicContact CB-CD2 4.22Å; F93-Y102 HydrophobicContact CB-CE1 3.49Å; F93-Y102 VanDerWaalsContact CB-CE1 3.49Å; F93-Y102 HydrophobicContact CB-CE2 4.17Å; F93-Y102 HydrophobicContact CB-CG 3.94Å; F93-Y102 HydrophobicContact CD1-CD1 4.07Å; F93-Y102 HydrophobicContact CD1-CG 4.22Å; F93-Y102 HydrophobicContact CD2-CD1 4.32Å; F93-Y102 AromaticContact CD2-CD2 3.98Å; F93-Y102 HydrophobicContact CD2-CD2 3.98Å; F93-Y102 AromaticContact CD2-CG 3.84Å; F93-Y102 HydrophobicContact CD2-CG 3.84Å; F93-Y102 HydrophobicContact CE2-CG 4.39Å; F93-Y102 AromaticContact CG-CD1 3.74Å; F93-Y102 HydrophobicContact CG-CD1 3.74Å; F93-Y102 HydrophobicContact CG-CD2 4.2Å; F93-Y102 HydrophobicContact CG-CE1 4.19Å; F93-Y102 AromaticContact CG-CG 3.74Å; F93-Y102 HydrophobicContact CG-CG 3.74Å; P94-Y102 WeakPolarHBondContact O-CE1 3.49Å; P94-Y102 PolarHBondContact O-OH 3.3Å; V95-Y102 WeakPolarHBondContact CA-OH 3.43Å; V99-Y102 HydrophobicContact CG1-CD1 4.29Å; V99-Y102 HydrophobicContact CG1-CD2 4.13Å; V99-Y102 HydrophobicContact CG1-CE1 3.93Å; V99-Y102 HydrophobicContact CG1-CE2 3.72Å; V99-Y102 HydrophobicContact CG1-CG 4.39Å; V99-Y102 HydrophobicContact CG2-CE1 4.31Å; Y102-I121 CarbonylContact O-C 3.53Å; Y102-I121 VanDerWaalsContact O-CA 3.26Å; Y102-I121 WeakPolarHBondContact O-CA 3.37Å; Y102-F122 PolarHBondContact N-O 3.5Å; Y102-F122 PolarHBondContact O-N 3.18Å; Y102-N124 WeakPolarHBondContact CD2-O 3.37Å; Y102-F143 CarbonylContact C-O 3.39Å; Y102-F143 WeakPolarHBondContact CA-O 3.43Å; Y102-A144 HydrophobicContact CD1-CB 3.98Å; Y102-A144 HydrophobicContact CE1-CB 3.97Å; Y102-F154 HydrophobicContact CD1-CE2 4.17Å; Y102-F154 HydrophobicContact CE1-CE2 4.06Å
103	I	80.8	Confident	69.4	Low	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.3	169.7	-57.3	174.1	0	0	0	107.7	S9 I13 F101 A142 F143 V145	S9-I103 WeakPolarHBondContact OG-CG2 3.46Å; I13-I103 HydrophobicContact CD1-CD1 3.82Å; I13-I103 HydrophobicContact CG1-CD1 3.66Å; F101-I103 HydrophobicContact CD2-CG1 3.92Å; F101-I103 HydrophobicContact CE2-CD1 3.85Å; F101-I103 HydrophobicContact CE2-CG1 3.66Å; I103-A142 CarbonylContact O-C 3.51Å; I103-A142 VanDerWaalsContact O-CA 3.26Å; I103-A142 WeakPolarHBondContact O-CA 3.48Å; I103-F143 HydrophobicContact CB-CB 4.11Å; I103-F143 HydrophobicContact CB-CD2 3.78Å; I103-F143 HydrophobicContact CB-CG 4.34Å; I103-F143 HydrophobicContact CG2-CD2 3.9Å; I103-F143 HydrophobicContact CG2-CE2 4.36Å; I103-F143 PolarHBondContact N-O 2.92Å; I103-F143 WeakPolarHBondContact O-CD2 3.4Å; I103-F143 PolarHBondContact O-N 2.93Å; I103-V145 HydrophobicContact CD1-CG2 4.2Å
104	L	80.7	Confident	68.9	Low	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.8	173.7	-174.1	73.4	0	0	0	109.8	I91 F93 T119 G120 F122 I140	I91-L104 HydrophobicContact CD1-CD1 3.75Å; I91-L104 HydrophobicContact CD1-CD2 3.45Å; I91-L104 VanDerWaalsContact CD1-CD2 3.45Å; I91-L104 HydrophobicContact CD1-CG 4.24Å; I91-L104 HydrophobicContact CG2-CD1 4.37Å; F93-L104 HydrophobicContact CE1-CD1 4.16Å; F93-L104 HydrophobicContact CZ-CB 4.45Å; F93-L104 HydrophobicContact CZ-CD1 4.3Å; L104-T119 HydrophobicContact CD2-CG2 3.91Å; L104-T119 WeakPolarHBondContact O-CB 3.23Å; L104-T119 PolarHBondContact O-N 3.17Å; L104-G120 PolarHBondContact N-O 3.26Å; L104-G120 PolarHBondContact O-N 2.79Å; L104-F122 HydrophobicContact CB-CD2 4.33Å; L104-F122 HydrophobicContact CB-CE2 3.71Å; L104-F122 HydrophobicContact CD2-CE2 4.1Å; L104-I140 HydrophobicContact CD1-CG2 3.43Å; L104-I140 VanDerWaalsContact CD1-CG2 3.43Å; L104-I140 HydrophobicContact CG-CG2 4.5Å
105	E	80.4	Confident	69.3	Low	0 Å²	0	63 Å²	63	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.5	169.7	-72.6	-179.6	172.8	0	0	110.5	S6 S9 W116 K117 K141 F143	S6-E105 WeakPolarHBondContact CB-OE1 3.37Å; S6-E105 PolarHBondContact N-OE1 2.8Å; S6-E105 PolarHBondContact OG-OE1 2.95Å; S9-E105 WeakPolarHBondContact CB-OE1 3.08Å; S9-E105 PolarHBondContact OG-OE1 2.76Å; E105-W116 HydrophobicContact CB-CE3 3.9Å; E105-K117 VanDerWaalsContact CA-O 3.24Å; E105-K117 WeakPolarHBondContact CA-O 3.43Å; E105-K141 HydrophobicContact CB-CB 4.34Å; E105-K141 PolarHBondContact N-O 3.29Å; E105-K141 PolarHBondContact O-N 2.86Å; E105-F143 HydrophobicContact CB-CE2 4.18Å; E105-F143 VanDerWaalsContact CD-CE2 3.5Å; E105-F143 HydrophobicContact CG-CE2 3.75Å; E105-F143 HydrophobicContact CG-CZ 4.46Å; E105-F143 WeakPolarHBondContact OE2-CZ 3.24Å
106	T	77.5	Confident	69.9	Low	9 Å²	9	63.2 Å²	63.2	6%	0.055	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.5	176.2	62.4	0	0	0	0	111.1	K117 T119 Y129 E139 I140	T106-K117 PolarHBondContact N-O 3.11Å; T106-K117 PolarHBondContact O-N 3.17Å; T106-T119 WeakPolarHBondContact CB-OG1 3.4Å; T106-T119 HydrophobicContact CG2-CG2 4.06Å; T106-T119 WeakPolarHBondContact CG2-OG1 3.39Å; T106-T119 PolarHBondContact N-OG1 2.82Å; T106-T119 PolarHBondContact OG1-OG1 3.26Å; T106-Y129 HydrophobicContact CG2-CD1 4.33Å; T106-Y129 HydrophobicContact CG2-CE1 3.83Å; T106-Y129 PolarHBondContact OG1-OH 2.88Å; T106-E139 CarbonylContact C-O 3.52Å; T106-E139 VanDerWaalsContact CA-O 3.28Å; T106-E139 WeakPolarHBondContact CA-O 3.36Å; T106-I140 HydrophobicContact CG2-CG1 4.24Å
107	K	76.7	Confident	70.5	Confident	63 Å²	63	65.7 Å²	65.7	27%	0.274	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	125.4	175.4	171	176.7	168.7	161.2	0	109.2	I109 G114 W116 L138 E139	K107-I109 PolarHBondContact O-N 3.01Å; K107-G114 VanDerWaalsContact CD-O 3.31Å; K107-G114 WeakPolarHBondContact CD-O 3.21Å; K107-G114 WeakPolarHBondContact CE-O 3.38Å; K107-G114 PolarHBondContact NZ-O 3.16Å; K107-W116 HydrophobicContact CB-CD2 4.04Å; K107-W116 HydrophobicContact CB-CE3 3.85Å; K107-W116 HydrophobicContact CB-CH2 4.42Å; K107-W116 HydrophobicContact CB-CZ3 4.05Å; K107-L138 CarbonylContact O-C 3.48Å; K107-L138 WeakPolarHBondContact O-CA 3.24Å; K107-E139 HydrophobicContact CB-CB 4.39Å; K107-E139 PolarHBondContact N-O 3.12Å; K107-E139 PolarHBondContact O-N 3.19Å
108	E	72.8	Confident	71.4	Confident	65 Å²	65	61.7 Å²	61.7	30%	0.304	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	122.8	172.9	-74.4	-177.6	-150.8	0	0	110.6	H136 L138	E108-H136 IonicContact OE2-CE1 2.76Å; E108-H136 IonicContact OE2-ND1 3.14Å; E108-H136 PolarHBondContact OE2-ND1 3.13Å; E108-L138 HydrophobicContact CG-CD2 3.53Å; E108-L138 HydrophobicContact CG-CG 4.39Å
109	I	66.4	Low	71.8	Confident	75 Å²	75	56.8 Å²	56.8	39%	0.385	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.8	174.7	-51.1	-176.7	0	0	0	108.4	K107 T137 E139	K107-I109 PolarHBondContact O-N 3.01Å; I109-T137 HydrophobicContact CD1-CG2 3.71Å; I109-T137 HydrophobicContact CG1-CG2 4.37Å; I109-T137 PolarHBondContact N-O 2.77Å; I109-E139 HydrophobicContact CD1-CG 3.52Å; I109-E139 HydrophobicContact CG1-CG 3.69Å
110	G	62.6	Low	72	Confident	76 Å²	76	55.6 Å²	55.6	78%	0.784	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.1	-6.3	179.5	0	0	0	0	0	114.7
111	S	61.9	Low	72.2	Confident	63 Å²	63	55.8 Å²	55.8	44%	0.441	29%	0.291	S	S	.	.			trans	-75.6	131.2	165.5	-177.6	0	0	0	0	110.1	N113 G114	S111-N113 PolarHBondContact O-N 2.77Å; S111-G114 PolarHBondContact O-N 3.21Å
112	Y	47.2	Very low	72.1	Confident	234 Å²	234	57.7 Å²	57.7	92%	0.918	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.8	-178.9	-109.6	-92.8	0	0	0	113.3
113	N	57.6	Low	71.8	Confident	131 Å²	131	61.3 Å²	61.3	70%	0.701	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	46.5	179	-65.2	-3.5	0	0	0	111.7	S111 E115	S111-N113 PolarHBondContact O-N 2.77Å; N113-E115 VanDerWaalsContact C-N 3.26Å; N113-E115 PolarHBondContact O-N 3.44Å
114	G	61.2	Low	71.4	Confident	24 Å²	24	66.2 Å²	66.2	25%	0.247	35%	0.346	C	S	.	.			trans	-64.6	77.9	-178.3	0	0	0	0	0	113.9	K107 S111	K107-G114 VanDerWaalsContact CD-O 3.31Å; K107-G114 WeakPolarHBondContact CD-O 3.21Å; K107-G114 WeakPolarHBondContact CE-O 3.38Å; K107-G114 PolarHBondContact NZ-O 3.16Å; S111-G114 PolarHBondContact O-N 3.21Å
115	E	71.6	Confident	70.9	Confident	148 Å²	148	68.2 Å²	68.2	69%	0.692	36%	0.36	S	S	*	.			trans	-90.8	149	170.4	-65.3	-173.3	164.1	0	0	110.9	N113 K117	N113-E115 VanDerWaalsContact C-N 3.26Å; N113-E115 PolarHBondContact O-N 3.44Å; E115-K117 PolarHBondContact O-N 3.11Å
116	W	76.8	Confident	70.4	Confident	63 Å²	63	69.7 Å²	69.7	24%	0.239	37%	0.369	C	S	.	.			trans	-68.5	125.6	172.1	-71.3	102.9	0	0	0	110	S6 E105 K107 E139 K141	S6-W116 VanDerWaalsContact CB-O 3.31Å; S6-W116 WeakPolarHBondContact CB-O 2.94Å; E105-W116 HydrophobicContact CB-CE3 3.9Å; K107-W116 HydrophobicContact CB-CD2 4.04Å; K107-W116 HydrophobicContact CB-CE3 3.85Å; K107-W116 HydrophobicContact CB-CH2 4.42Å; K107-W116 HydrophobicContact CB-CZ3 4.05Å; W116-E139 HydrophobicContact CH2-CB 3.72Å; W116-E139 HydrophobicContact CZ2-CB 4.43Å; W116-E139 HydrophobicContact CZ3-CB 4.27Å; W116-K141 HydrophobicContact CE3-CB 4.08Å; W116-K141 HydrophobicContact CH2-CB 3.81Å; W116-K141 HydrophobicContact CZ3-CB 3.54Å
117	K	76.7	Confident	70	Confident	132 Å²	132	69.4 Å²	69.4	57%	0.574	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.3	179	-65	179.8	-177.5	177	0	110.7	E105 T106 E115 T119	E105-K117 VanDerWaalsContact CA-O 3.24Å; E105-K117 WeakPolarHBondContact CA-O 3.43Å; T106-K117 PolarHBondContact N-O 3.11Å; T106-K117 PolarHBondContact O-N 3.17Å; E115-K117 PolarHBondContact O-N 3.11Å; K117-T119 PolarHBondContact O-N 2.91Å; K117-T119 VanDerWaalsContact O-N 3.14Å; K117-T119 PolarHBondContact O-OG1 3.18Å
118	N	77.2	Confident	69.7	Low	24 Å²	24	70 Å²	70	13%	0.128	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	118.7	169.3	-174.6	-59.3	0	0	0	108.7	Q8 S9 G120	Q8-N118 HydrophobicContact CB-CB 3.79Å; S9-N118 PolarHBondContact OG-ND2 2.85Å; N118-G120 PolarHBondContact OD1-N 2.84Å
119	T	73.7	Confident	69.6	Low	34 Å²	34	69 Å²	69	21%	0.209	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-26.4	-174	-57.2	0	0	0	0	111.1	L104 T106 K117 Y129	L104-T119 HydrophobicContact CD2-CG2 3.91Å; L104-T119 WeakPolarHBondContact O-CB 3.23Å; L104-T119 PolarHBondContact O-N 3.17Å; T106-T119 WeakPolarHBondContact CB-OG1 3.4Å; T106-T119 HydrophobicContact CG2-CG2 4.06Å; T106-T119 WeakPolarHBondContact CG2-OG1 3.39Å; T106-T119 PolarHBondContact N-OG1 2.82Å; T106-T119 PolarHBondContact OG1-OG1 3.26Å; K117-T119 PolarHBondContact O-N 2.91Å; K117-T119 VanDerWaalsContact O-N 3.14Å; K117-T119 PolarHBondContact O-OG1 3.18Å; T119-Y129 HydrophobicContact CG2-CD1 4.24Å; T119-Y129 HydrophobicContact CG2-CD2 3.1Å; T119-Y129 HydrophobicContact CG2-CE1 4.11Å; T119-Y129 HydrophobicContact CG2-CE2 2.98Å; T119-Y129 HydrophobicContact CG2-CG 3.78Å; T119-Y129 VanDerWaalsContact CG2-CZ 3.5Å
120	G	75.6	Confident	69.8	Low	4 Å²	4	68.9 Å²	68.9	4%	0.041	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	159.9	-179.8	0	0	0	0	0	113	L104 N118	L104-G120 PolarHBondContact N-O 3.26Å; L104-G120 PolarHBondContact O-N 2.79Å; N118-G120 PolarHBondContact OD1-N 2.84Å
121	I	78.3	Confident	69.9	Low	19 Å²	19	65.7 Å²	65.7	10%	0.097	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.1	171.1	-53.4	-179.2	0	0	0	105.7	A12 Y41 L44 F101 Y102	A12-I121 HydrophobicContact CB-CD1 3.74Å; Y41-I121 HydrophobicContact CE2-CG2 3.94Å; L44-I121 HydrophobicContact CD2-CD1 4.01Å; L44-I121 HydrophobicContact CD2-CG2 4.45Å; L44-I121 HydrophobicContact CG-CD1 4.42Å; F101-I121 HydrophobicContact CB-CG2 4.17Å; F101-I121 HydrophobicContact CD2-CG2 3.35Å; F101-I121 HydrophobicContact CE2-CG2 3.92Å; F101-I121 HydrophobicContact CG-CG2 3.98Å; Y102-I121 CarbonylContact O-C 3.53Å; Y102-I121 VanDerWaalsContact O-CA 3.26Å; Y102-I121 WeakPolarHBondContact O-CA 3.37Å
122	F	77.4	Confident	69.9	Low	41 Å²	41	67.2 Å²	67.2	18%	0.18	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.1	-168.6	-55	-82.6	0	0	0	110.2	F93 F101 Y102 L104 A127	F93-F122 HydrophobicContact CE2-CB 4.13Å; F93-F122 AromaticContact CE2-CD2 3.91Å; F93-F122 HydrophobicContact CE2-CD2 3.91Å; F93-F122 HydrophobicContact CE2-CG 4.16Å; F93-F122 AromaticContact CZ-CD2 3.87Å; F93-F122 HydrophobicContact CZ-CD2 3.87Å; F93-F122 HydrophobicContact CZ-CE2 4.35Å; F101-F122 CarbonylContact C-O 3.45Å; F101-F122 WeakPolarHBondContact CA-O 3.45Å; F101-F122 WeakPolarHBondContact CB-O 3.25Å; Y102-F122 PolarHBondContact N-O 3.5Å; Y102-F122 PolarHBondContact O-N 3.18Å; L104-F122 HydrophobicContact CB-CD2 4.33Å; L104-F122 HydrophobicContact CB-CE2 3.71Å; L104-F122 HydrophobicContact CD2-CE2 4.1Å; F122-A127 HydrophobicContact CD1-CB 3.56Å; F122-A127 HydrophobicContact CD2-CB 3.78Å; F122-A127 HydrophobicContact CE1-CB 3.44Å; F122-A127 VanDerWaalsContact CE1-CB 3.44Å; F122-A127 HydrophobicContact CE2-CB 3.67Å; F122-A127 HydrophobicContact CG-CB 3.72Å; F122-A127 HydrophobicContact CZ-CB 3.5Å
123	N	73.8	Confident	70.7	Confident	83 Å²	83	59 Å²	59	44%	0.444	33%	0.331	S	S	.	.	S	Bend	trans	-84.9	-15.5	169.7	55.8	-0.5	0	0	0	112.8	Y41	Y41-N123 HydrophobicContact CD1-CB 4.36Å; Y41-N123 HydrophobicContact CE1-CB 3.66Å; Y41-N123 HydrophobicContact CE2-CB 4.28Å; Y41-N123 PolarHBondContact OH-N 2.89Å
124	N	73.1	Confident	70.8	Confident	103 Å²	103	53 Å²	53	55%	0.551	30%	0.3	S	S	*	.	S	Bend	trans	-96.5	153.4	-179.5	-65.8	-14	0	0	0	110.9	Y102 T126	Y102-N124 WeakPolarHBondContact CD2-O 3.37Å; N124-T126 PolarHBondContact O-N 3.04Å; N124-T126 VanDerWaalsContact O-N 3.12Å
125	S	69.5	Low	70.7	Confident	42 Å²	42	54 Å²	54	29%	0.294	30%	0.303	S	S	.	.	S	Bend	trans	-71.2	1.3	174	59.3	0	0	0	0	114	Y92 F93	Y92-S125 CarbonylContact C-O 3.5Å; Y92-S125 WeakPolarHBondContact CA-O 2.99Å; F93-S125 PolarHBondContact N-O 3.07Å
126	T	71.2	Confident	70.2	Confident	31 Å²	31	50.4 Å²	50.4	19%	0.19	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	130.1	179.5	-46.8	0	0	0	0	109.3	Q90 I91 Y92 N124	Q90-T126 HydrophobicContact CG-CG2 3.73Å; I91-T126 CarbonylContact O-C 3.57Å; I91-T126 VanDerWaalsContact O-CA 3.31Å; I91-T126 WeakPolarHBondContact O-CA 2.98Å; Y92-T126 HydrophobicContact CD1-CG2 3.55Å; Y92-T126 HydrophobicContact CE1-CG2 3.45Å; Y92-T126 VanDerWaalsContact CE1-CG2 3.45Å; Y92-T126 HydrophobicContact CG-CG2 4.49Å; N124-T126 PolarHBondContact O-N 3.04Å; N124-T126 VanDerWaalsContact O-N 3.12Å
127	A	69.3	Low	69.5	Low	2 Å²	2	49.4 Å²	49.4	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.5	176.1	0	0	0	0	0	110.5	Q90 I91 F93 F122	Q90-A127 CarbonylContact C-O 3.55Å; Q90-A127 WeakPolarHBondContact CA-O 3.43Å; I91-A127 HydrophobicContact CB-CB 4.38Å; I91-A127 PolarHBondContact N-O 2.86Å; I91-A127 PolarHBondContact O-N 3.28Å; F93-A127 HydrophobicContact CE2-CB 3.58Å; F93-A127 HydrophobicContact CZ-CB 3.95Å; F122-A127 HydrophobicContact CD1-CB 3.56Å; F122-A127 HydrophobicContact CD2-CB 3.78Å; F122-A127 HydrophobicContact CE1-CB 3.44Å; F122-A127 VanDerWaalsContact CE1-CB 3.44Å; F122-A127 HydrophobicContact CE2-CB 3.67Å; F122-A127 HydrophobicContact CG-CB 3.72Å; F122-A127 HydrophobicContact CZ-CB 3.5Å
128	C	69.5	Low	69	Low	76 Å²	76	43.5 Å²	43.5	51%	0.514	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.3	165.3	-65.5	0	0	0	0	108.5	L89	L89-C128 CarbonylContact O-C 3.49Å; L89-C128 WeakPolarHBondContact O-CA 3.39Å
129	Y	71.7	Confident	68.7	Low	44 Å²	44	45.8 Å²	45.8	17%	0.173	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122	178.9	173.4	-127.4	0	0	0	110.3	E88 L89 T106 T119 L131	E88-Y129 WeakPolarHBondContact CA-O 3.49Å; L89-Y129 HydrophobicContact CD1-CD1 4.23Å; L89-Y129 PolarHBondContact N-O 2.8Å; L89-Y129 PolarHBondContact O-N 3.5Å; T106-Y129 HydrophobicContact CG2-CD1 4.33Å; T106-Y129 HydrophobicContact CG2-CE1 3.83Å; T106-Y129 PolarHBondContact OG1-OH 2.88Å; T119-Y129 HydrophobicContact CG2-CD1 4.24Å; T119-Y129 HydrophobicContact CG2-CD2 3.1Å; T119-Y129 HydrophobicContact CG2-CE1 4.11Å; T119-Y129 HydrophobicContact CG2-CE2 2.98Å; T119-Y129 HydrophobicContact CG2-CG 3.78Å; T119-Y129 VanDerWaalsContact CG2-CZ 3.5Å; Y129-L131 HydrophobicContact CD1-CD2 3.8Å; Y129-L131 HydrophobicContact CE1-CD2 3.45Å; Y129-L131 VanDerWaalsContact CE1-CD2 3.45Å
130	S	69.3	Low	68.6	Low	73 Å²	73	45.4 Å²	45.4	51%	0.51	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.7	176.9	-51.4	0	0	0	0	111.2	H87	H87-S130 CarbonylContact O-C 3.53Å; H87-S130 VanDerWaalsContact O-CA 3.24Å; H87-S130 WeakPolarHBondContact O-CA 3.3Å
131	L	65.4	Low	68.6	Low	8 Å²	8	45.8 Å²	45.8	4%	0.042	27%	0.268	C	S	.	.			trans	-81.9	119.6	175.2	-58.5	-178.6	0	0	0	110.6	H87 L89 Y129 N133 L138	H87-L131 PolarHBondContact ND1-O 2.97Å; H87-L131 PolarHBondContact O-N 2.96Å; L89-L131 HydrophobicContact CD1-CD1 4.1Å; L89-L131 HydrophobicContact CD1-CD2 3.72Å; L89-L131 HydrophobicContact CD1-CG 4.18Å; L89-L131 HydrophobicContact CD2-CD1 4.31Å; L89-L131 HydrophobicContact CG-CD1 3.96Å; L89-L131 HydrophobicContact CG-CD2 4.17Å; L89-L131 HydrophobicContact CG-CG 4.09Å; Y129-L131 HydrophobicContact CD1-CD2 3.8Å; Y129-L131 HydrophobicContact CE1-CD2 3.45Å; Y129-L131 VanDerWaalsContact CE1-CD2 3.45Å; L131-N133 PolarHBondContact O-N 3.28Å; L131-L138 HydrophobicContact CD1-CD1 4.3Å; L131-L138 HydrophobicContact CD2-CD1 3.27Å; L131-L138 HydrophobicContact CG-CD1 4.36Å
132	A	62.5	Low	68.5	Low	95 Å²	95	44.9 Å²	44.9	79%	0.785	26%	0.264	S	S	*	.	S	Bend	trans	-61.3	-33.5	172.7	0	0	0	0	0	112.1
133	N	62.5	Low	68.4	Low	62 Å²	62	43 Å²	43	33%	0.332	26%	0.255	S	S	.	.			trans	-134.4	111.9	176.5	-169.1	-14.8	0	0	0	110.9	L131 C135 H136	L131-N133 PolarHBondContact O-N 3.28Å; N133-C135 PolarHBondContact O-N 3.22Å; N133-C135 VanDerWaalsContact O-N 3.1Å; N133-C135 WeakPolarHBondContact OD1-CB 3.04Å; N133-C135 PolarHBondContact OD1-N 3.38Å; N133-H136 HydrophobicContact CB-CB 4.49Å; N133-H136 PolarHBondContact ND2-CD2 3.02Å; N133-H136 PolarHBondContact ND2-CE1 3.39Å; N133-H136 PolarHBondContact ND2-NE2 3.32Å; N133-H136 PolarHBondContact O-N 3.25Å
134	A	60.2	Low	68.5	Low	4 Å²	4	39 Å²	39	3%	0.033	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.2	178.1	0	0	0	0	0	113.9	A86	A86-A134 HydrophobicContact CB-CB 4.09Å; A86-A134 WeakPolarHBondContact O-CA 3.1Å; A86-A134 WeakPolarHBondContact O-CB 3.44Å
135	C	59.2	Low	68.7	Low	46 Å²	46	34.1 Å²	34.1	31%	0.311	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	3.2	-171.3	-52	0	0	0	0	113.8	N133 C269	N133-C135 PolarHBondContact O-N 3.22Å; N133-C135 VanDerWaalsContact O-N 3.1Å; N133-C135 WeakPolarHBondContact OD1-CB 3.04Å; N133-C135 PolarHBondContact OD1-N 3.38Å; C135-C269 WeakPolarHBondContact CA-SG 3.42Å; C135-C269 HydrophobicContact CB-CB 3.85Å; C135-C269 WeakPolarHBondContact CB-SG 3.41Å; C135-C269 WeakPolarHBondContact SG-CA 3.37Å; C135-C269 WeakPolarHBondContact SG-CB 3.14Å; C135-C269 CovalentContact SG-SG 2.06Å; C135-C269 PolarHBondContact SG-SG 3.24Å
136	H	62	Low	68.9	Low	73 Å²	73	33.1 Å²	33.1	34%	0.338	20%	0.199	S	C	.	.	S	Bend	trans	-99.6	144.7	176.8	-73.2	-168.5	0	0	0	111.1	E108 N133	E108-H136 IonicContact OE2-CE1 2.76Å; E108-H136 IonicContact OE2-ND1 3.14Å; E108-H136 PolarHBondContact OE2-ND1 3.13Å; N133-H136 HydrophobicContact CB-CB 4.49Å; N133-H136 PolarHBondContact ND2-CD2 3.02Å; N133-H136 PolarHBondContact ND2-CE1 3.39Å; N133-H136 PolarHBondContact ND2-NE2 3.32Å; N133-H136 PolarHBondContact O-N 3.25Å
137	T	61.1	Low	68.6	Low	42 Å²	42	32.6 Å²	32.6	26%	0.258	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	134.8	170.7	-48	0	0	0	0	109.4	I109 T162	I109-T137 HydrophobicContact CD1-CG2 3.71Å; I109-T137 HydrophobicContact CG1-CG2 4.37Å; I109-T137 PolarHBondContact N-O 2.77Å; T137-T162 HydrophobicContact CG2-CG2 4.26Å
138	L	66.4	Low	68.3	Low	7 Å²	7	37.6 Å²	37.6	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.2	177.5	-54.4	123.3	0	0	0	111.7	K107 E108 L131 I163	K107-L138 CarbonylContact O-C 3.48Å; K107-L138 WeakPolarHBondContact O-CA 3.24Å; E108-L138 HydrophobicContact CG-CD2 3.53Å; E108-L138 HydrophobicContact CG-CG 4.39Å; L131-L138 HydrophobicContact CD1-CD1 4.3Å; L131-L138 HydrophobicContact CD2-CD1 3.27Å; L131-L138 HydrophobicContact CG-CD1 4.36Å; L138-I163 HydrophobicContact CB-CD1 3.73Å; L138-I163 HydrophobicContact CD1-CD1 3.89Å; L138-I163 HydrophobicContact CG-CD1 4.41Å
139	E	71.5	Confident	67.9	Low	72 Å²	72	34.2 Å²	34.2	34%	0.336	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	141.5	161.4	-62.4	-176.9	159.3	0	0	109.3	T106 K107 I109 W116	T106-E139 CarbonylContact C-O 3.52Å; T106-E139 VanDerWaalsContact CA-O 3.28Å; T106-E139 WeakPolarHBondContact CA-O 3.36Å; K107-E139 HydrophobicContact CB-CB 4.39Å; K107-E139 PolarHBondContact N-O 3.12Å; K107-E139 PolarHBondContact O-N 3.19Å; I109-E139 HydrophobicContact CD1-CG 3.52Å; I109-E139 HydrophobicContact CG1-CG 3.69Å; W116-E139 HydrophobicContact CH2-CB 3.72Å; W116-E139 HydrophobicContact CZ2-CB 4.43Å; W116-E139 HydrophobicContact CZ3-CB 4.27Å
140	I	71.9	Confident	67.5	Low	27 Å²	27	33.1 Å²	33.1	14%	0.138	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.4	-178.1	-60.8	168.6	0	0	0	108.8	V81 L89 I91 L104 T106 I163	V81-I140 HydrophobicContact CG1-CD1 4.28Å; V81-I140 HydrophobicContact CG2-CD1 3.92Å; L89-I140 HydrophobicContact CD1-CD1 4.29Å; I91-I140 HydrophobicContact CD1-CD1 4.36Å; L104-I140 HydrophobicContact CD1-CG2 3.43Å; L104-I140 VanDerWaalsContact CD1-CG2 3.43Å; L104-I140 HydrophobicContact CG-CG2 4.5Å; T106-I140 HydrophobicContact CG2-CG1 4.24Å; I140-I163 HydrophobicContact CD1-CD1 4.4Å
141	K	75	Confident	67.1	Low	11 Å²	11	29.7 Å²	29.7	5%	0.048	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.6	173.2	-175.7	-179.6	-178.4	-162.1	0	109	S4 E105 W116 F143	S4-K141 PolarHBondContact O-NZ 3.28Å; E105-K141 HydrophobicContact CB-CB 4.34Å; E105-K141 PolarHBondContact N-O 3.29Å; E105-K141 PolarHBondContact O-N 2.86Å; W116-K141 HydrophobicContact CE3-CB 4.08Å; W116-K141 HydrophobicContact CH2-CB 3.81Å; W116-K141 HydrophobicContact CZ3-CB 3.54Å; K141-F143 HydrophobicContact CD-CE1 4.03Å; K141-F143 HydrophobicContact CD-CE2 4.07Å; K141-F143 HydrophobicContact CD-CZ 3.44Å; K141-F143 VanDerWaalsContact CD-CZ 3.44Å; K141-F143 HydrophobicContact CG-CE1 4.34Å; K141-F143 HydrophobicContact CG-CE2 4Å; K141-F143 HydrophobicContact CG-CZ 3.81Å; K141-F143 VanDerWaalsContact NZ-CZ 3.31Å
142	A	75.8	Confident	66.7	Low	1 Å²	1	30.1 Å²	30.1	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.8	176.9	0	0	0	0	0	111.7	V79 F93 I103 F154	V79-A142 HydrophobicContact CG2-CB 3.72Å; F93-A142 HydrophobicContact CD1-CB 3.83Å; F93-A142 HydrophobicContact CE1-CB 3.64Å; I103-A142 CarbonylContact O-C 3.51Å; I103-A142 VanDerWaalsContact O-CA 3.26Å; I103-A142 WeakPolarHBondContact O-CA 3.48Å; A142-F154 HydrophobicContact CB-CB 4.29Å; A142-F154 HydrophobicContact CB-CD2 4.41Å; A142-F154 PolarHBondContact N-O 2.84Å; A142-F154 CarbonylContact O-C 3.58Å; A142-F154 WeakPolarHBondContact O-CA 3.23Å; A142-F154 PolarHBondContact O-N 3.03Å; A142-F154 VanDerWaalsContact O-N 3.09Å
143	F	76.4	Confident	66.5	Low	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	142.5	177.7	-46.2	-99	0	0	0	108.6	I5 Y102 I103 E105 K141 F153	I5-F143 HydrophobicContact CD1-CD1 4.4Å; I5-F143 HydrophobicContact CD1-CE1 4.05Å; I5-F143 HydrophobicContact CG1-CD1 4.46Å; I5-F143 HydrophobicContact CG1-CE1 3.65Å; I5-F143 HydrophobicContact CG1-CZ 4.04Å; I5-F143 HydrophobicContact CG2-CZ 4.41Å; Y102-F143 CarbonylContact C-O 3.39Å; Y102-F143 WeakPolarHBondContact CA-O 3.43Å; I103-F143 HydrophobicContact CB-CB 4.11Å; I103-F143 HydrophobicContact CB-CD2 3.78Å; I103-F143 HydrophobicContact CB-CG 4.34Å; I103-F143 HydrophobicContact CG2-CD2 3.9Å; I103-F143 HydrophobicContact CG2-CE2 4.36Å; I103-F143 PolarHBondContact N-O 2.92Å; I103-F143 WeakPolarHBondContact O-CD2 3.4Å; I103-F143 PolarHBondContact O-N 2.93Å; E105-F143 HydrophobicContact CB-CE2 4.18Å; E105-F143 VanDerWaalsContact CD-CE2 3.5Å; E105-F143 HydrophobicContact CG-CE2 3.75Å; E105-F143 HydrophobicContact CG-CZ 4.46Å; E105-F143 WeakPolarHBondContact OE2-CZ 3.24Å; K141-F143 HydrophobicContact CD-CE1 4.03Å; K141-F143 HydrophobicContact CD-CE2 4.07Å; K141-F143 HydrophobicContact CD-CZ 3.44Å; K141-F143 VanDerWaalsContact CD-CZ 3.44Å; K141-F143 HydrophobicContact CG-CE1 4.34Å; K141-F143 HydrophobicContact CG-CE2 4Å; K141-F143 HydrophobicContact CG-CZ 3.81Å; K141-F143 VanDerWaalsContact NZ-CZ 3.31Å; F143-F153 AromaticContact CD1-CD1 3.86Å; F143-F153 HydrophobicContact CD1-CD1 3.86Å; F143-F153 AromaticContact CD1-CE1 3.91Å; F143-F153 HydrophobicContact CD1-CE1 3.91Å; F143-F153 AromaticContact CE1-CD1 3.92Å; F143-F153 HydrophobicContact CE1-CD1 3.92Å; F143-F153 AromaticContact CE1-CE1 3.82Å; F143-F153 HydrophobicContact CE1-CE1 3.82Å
144	A	75.9	Confident	66.3	Low	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.9	161.5	0	0	0	0	0	109.8	V99 Y102 L152 F154	V99-A144 HydrophobicContact CG1-CB 4.16Å; V99-A144 HydrophobicContact CG2-CB 3.81Å; Y102-A144 HydrophobicContact CD1-CB 3.98Å; Y102-A144 HydrophobicContact CE1-CB 3.97Å; A144-L152 HydrophobicContact CB-CB 4.03Å; A144-L152 PolarHBondContact N-O 3.12Å; A144-L152 PolarHBondContact O-N 3.37Å; A144-F154 HydrophobicContact CB-CD2 4.36Å; A144-F154 HydrophobicContact CB-CE2 3.26Å; A144-F154 HydrophobicContact CB-CZ 3.62Å
145	V	77	Confident	65.8	Low	1 Å²	1	24.4 Å²	24.4	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.9	170.6	-172.7	0	0	0	0	107.9	I13 F16 S100 F101 I103 L151	I13-V145 HydrophobicContact CG1-CG2 4.28Å; F16-V145 HydrophobicContact CD1-CG1 3.9Å; F16-V145 HydrophobicContact CE1-CG1 3.84Å; S100-V145 WeakPolarHBondContact CB-O 3.44Å; S100-V145 PolarHBondContact N-O 2.87Å; F101-V145 HydrophobicContact CD1-CB 4.12Å; F101-V145 HydrophobicContact CD2-CB 4.27Å; F101-V145 HydrophobicContact CD2-CG2 3.89Å; F101-V145 HydrophobicContact CE1-CB 3.73Å; F101-V145 HydrophobicContact CE1-CG1 3.81Å; F101-V145 HydrophobicContact CE1-CG2 4.01Å; F101-V145 HydrophobicContact CE2-CB 3.97Å; F101-V145 HydrophobicContact CE2-CG2 3.34Å; F101-V145 HydrophobicContact CG-CB 4.38Å; F101-V145 HydrophobicContact CG-CG2 4.49Å; F101-V145 HydrophobicContact CZ-CB 3.69Å; F101-V145 HydrophobicContact CZ-CG1 3.87Å; F101-V145 HydrophobicContact CZ-CG2 3.41Å; F101-V145 VanDerWaalsContact CZ-CG2 3.41Å; F101-V145 PolarHBondContact O-N 2.89Å; I103-V145 HydrophobicContact CD1-CG2 4.2Å; V145-L151 HydrophobicContact CB-CD2 4.49Å; V145-L151 HydrophobicContact CG2-CD2 3.75Å
146	L	72.3	Confident	65.2	Low	20 Å²	20	24.6 Å²	24.6	11%	0.105	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	154.5	176.1	-60.4	-174	0	0	0	111.1	Y98 V99 N148 G149 T150 L152	Y98-L146 CarbonylContact O-C 3.52Å; Y98-L146 VanDerWaalsContact O-CA 3.27Å; Y98-L146 WeakPolarHBondContact O-CA 3.49Å; V99-L146 HydrophobicContact CB-CD2 4.42Å; V99-L146 HydrophobicContact CG2-CD2 3.65Å; L146-N148 WeakPolarHBondContact CB-OD1 3.23Å; L146-N148 PolarHBondContact O-N 2.81Å; L146-G149 PolarHBondContact O-N 3.02Å; L146-T150 WeakPolarHBondContact CB-O 3.05Å; L146-T150 HydrophobicContact CD1-CG2 4.07Å; L146-T150 PolarHBondContact N-O 3.01Å; L146-L152 HydrophobicContact CD1-CD1 3.94Å; L146-L152 HydrophobicContact CD1-CD2 4.15Å; L146-L152 HydrophobicContact CD1-CG 3.85Å; L146-L152 HydrophobicContact CD2-CD1 3.85Å; L146-L152 HydrophobicContact CD2-CG 4.27Å; L146-L152 HydrophobicContact CG-CD1 4.1Å; L146-L152 HydrophobicContact CG-CG 3.98Å
147	S	65.4	Low	64.1	Low	20 Å²	20	25.9 Å²	25.9	14%	0.14	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.9	-179.1	57	0	0	0	0	114.4	Y98 S100 G149	Y98-S147 PolarHBondContact O-N 2.82Å; S100-S147 VanDerWaalsContact OG-CA 3.25Å; S100-S147 WeakPolarHBondContact OG-CA 3.48Å; S100-S147 PolarHBondContact OG-N 3.2Å; S147-G149 VanDerWaalsContact C-N 3.32Å
148	N	63	Low	62.9	Low	107 Å²	107	32.3 Å²	32.3	57%	0.572	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	3.1	174.7	68.8	-15.7	0	0	0	113.3	L146 T150	L146-N148 WeakPolarHBondContact CB-OD1 3.23Å; L146-N148 PolarHBondContact O-N 2.81Å; N148-T150 VanDerWaalsContact C-N 3.33Å; N148-T150 PolarHBondContact ND2-OG1 3.23Å; N148-T150 VanDerWaalsContact OD1-CB 3.23Å; N148-T150 WeakPolarHBondContact OD1-CB 3.49Å; N148-T150 PolarHBondContact OD1-N 3.44Å; N148-T150 PolarHBondContact OD1-OG1 2.99Å
149	G	60.6	Low	61.5	Low	5 Å²	5	37.4 Å²	37.4	5%	0.052	19%	0.191	C	C	.	.	S	Bend	trans	79.8	9	-175.3	0	0	0	0	0	114.4	L69 L146 S147	L69-G149 WeakPolarHBondContact CD2-O 3.38Å; L146-G149 PolarHBondContact O-N 3.02Å; S147-G149 VanDerWaalsContact C-N 3.32Å
150	T	63.1	Low	59.6	Low	21 Å²	21	44.6 Å²	44.6	13%	0.129	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-76.8	136.7	169.5	-60.4	0	0	0	0	110.2	T70 V72 L146 N148 L152	T70-T150 WeakPolarHBondContact O-CG2 3.47Å; V72-T150 HydrophobicContact CG2-CG2 4.24Å; L146-T150 WeakPolarHBondContact CB-O 3.05Å; L146-T150 HydrophobicContact CD1-CG2 4.07Å; L146-T150 PolarHBondContact N-O 3.01Å; N148-T150 VanDerWaalsContact C-N 3.33Å; N148-T150 PolarHBondContact ND2-OG1 3.23Å; N148-T150 VanDerWaalsContact OD1-CB 3.23Å; N148-T150 WeakPolarHBondContact OD1-CB 3.49Å; N148-T150 PolarHBondContact OD1-N 3.44Å; N148-T150 PolarHBondContact OD1-OG1 2.99Å; T150-L152 HydrophobicContact CG2-CD2 4.39Å
151	L	62	Low	58	Low	2 Å²	2	46.7 Å²	46.7	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.3	173.9	-80.8	162.7	0	0	0	109.4	I5 I13 L69 T70 V72 V145 F153	I5-L151 HydrophobicContact CD1-CD1 4.48Å; I13-L151 HydrophobicContact CD1-CD1 4.18Å; I13-L151 HydrophobicContact CD1-CD2 3.87Å; I13-L151 HydrophobicContact CG1-CD2 4.37Å; I13-L151 HydrophobicContact CG2-CD1 4.45Å; L69-L151 HydrophobicContact CB-CD1 4.17Å; L69-L151 HydrophobicContact CD1-CD1 3.39Å; L69-L151 HydrophobicContact CD2-CD1 3.5Å; L69-L151 VanDerWaalsContact CD2-CD1 3.5Å; L69-L151 HydrophobicContact CD2-CG 3.77Å; L69-L151 HydrophobicContact CG-CD1 3.87Å; T70-L151 PolarHBondContact O-N 2.04Å; V72-L151 PolarHBondContact N-O 2.89Å; V145-L151 HydrophobicContact CB-CD2 4.49Å; V145-L151 HydrophobicContact CG2-CD2 3.75Å; L151-F153 HydrophobicContact CB-CD2 4.19Å; L151-F153 HydrophobicContact CB-CE2 3.52Å; L151-F153 HydrophobicContact CB-CZ 4.21Å; L151-F153 HydrophobicContact CD1-CE2 4.41Å; L151-F153 HydrophobicContact CD1-CZ 4.35Å; L151-F153 WeakPolarHBondContact O-CD2 3.28Å
152	L	57.6	Low	55.9	Low	17 Å²	17	49.4 Å²	49.4	9%	0.089	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123.6	167.8	-60.3	-178.1	0	0	0	108.6	V72 L74 Y96 A144 L146 T150 F154	V72-L152 HydrophobicContact CB-CD2 3.82Å; V72-L152 HydrophobicContact CG1-CD2 4.27Å; V72-L152 HydrophobicContact CG2-CD2 4.32Å; L74-L152 HydrophobicContact CD1-CB 4.35Å; L74-L152 HydrophobicContact CD1-CD1 4.29Å; L74-L152 HydrophobicContact CD1-CD2 4.34Å; Y96-L152 HydrophobicContact CD2-CD1 4.08Å; Y96-L152 HydrophobicContact CE2-CD1 4.28Å; Y96-L152 HydrophobicContact CG-CD1 4.24Å; A144-L152 HydrophobicContact CB-CB 4.03Å; A144-L152 PolarHBondContact N-O 3.12Å; A144-L152 PolarHBondContact O-N 3.37Å; L146-L152 HydrophobicContact CD1-CD1 3.94Å; L146-L152 HydrophobicContact CD1-CD2 4.15Å; L146-L152 HydrophobicContact CD1-CG 3.85Å; L146-L152 HydrophobicContact CD2-CD1 3.85Å; L146-L152 HydrophobicContact CD2-CG 4.27Å; L146-L152 HydrophobicContact CG-CD1 4.1Å; L146-L152 HydrophobicContact CG-CG 3.98Å; T150-L152 HydrophobicContact CG2-CD2 4.39Å; L152-F154 HydrophobicContact CB-CE1 4.21Å; L152-F154 HydrophobicContact CB-CZ 3.92Å; L152-F154 HydrophobicContact CD1-CZ 4.31Å
153	F	58.3	Low	54.1	Low	5 Å²	5	49.8 Å²	49.8	2%	0.022	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.6	179.8	-72.1	-103.2	0	0	0	109	H3 I5 E71 V72 L74 F143 L151 V155	H3-F153 HydrophobicContact CB-CD1 3.89Å; H3-F153 HydrophobicContact CB-CE1 3.79Å; H3-F153 AromaticContact CD2-CD1 3.75Å; I5-F153 HydrophobicContact CD1-CE1 4.01Å; I5-F153 HydrophobicContact CD1-CZ 4.04Å; I5-F153 HydrophobicContact CG1-CE1 4.28Å; E71-F153 HydrophobicContact CB-CD2 3.93Å; E71-F153 HydrophobicContact CB-CE2 3.31Å; E71-F153 HydrophobicContact CB-CZ 3.96Å; E71-F153 HydrophobicContact CG-CD2 3.39Å; E71-F153 HydrophobicContact CG-CE1 4.36Å; E71-F153 HydrophobicContact CG-CE2 3.14Å; E71-F153 HydrophobicContact CG-CG 4.12Å; E71-F153 HydrophobicContact CG-CZ 3.66Å; E71-F153 WeakPolarHBondContact OE1-CD1 3.41Å; E71-F153 WeakPolarHBondContact OE1-CE1 3.42Å; E71-F153 VanDerWaalsContact OE1-CZ 3.23Å; E71-F153 WeakPolarHBondContact OE1-CZ 3.42Å; V72-F153 PolarHBondContact O-N 3.44Å; L74-F153 PolarHBondContact N-O 3.08Å; F143-F153 AromaticContact CD1-CD1 3.86Å; F143-F153 HydrophobicContact CD1-CD1 3.86Å; F143-F153 AromaticContact CD1-CE1 3.91Å; F143-F153 HydrophobicContact CD1-CE1 3.91Å; F143-F153 AromaticContact CE1-CD1 3.92Å; F143-F153 HydrophobicContact CE1-CD1 3.92Å; F143-F153 AromaticContact CE1-CE1 3.82Å; F143-F153 HydrophobicContact CE1-CE1 3.82Å; L151-F153 HydrophobicContact CB-CD2 4.19Å; L151-F153 HydrophobicContact CB-CE2 3.52Å; L151-F153 HydrophobicContact CB-CZ 4.21Å; L151-F153 HydrophobicContact CD1-CE2 4.41Å; L151-F153 HydrophobicContact CD1-CZ 4.35Å; L151-F153 WeakPolarHBondContact O-CD2 3.28Å; F153-V155 HydrophobicContact CB-CG2 4.37Å; F153-V155 PolarHBondContact O-N 3.47Å
154	F	56.8	Low	52.2	Low	1 Å²	1	56.5 Å²	56.5	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	79.3	167.1	-45.7	-60.9	0	0	0	107.3	L74 S77 V79 P94 Y96 Y102 A142 A144 L152	L74-F154 HydrophobicContact CD1-CD1 4.18Å; L74-F154 HydrophobicContact CD1-CE1 3.6Å; S77-F154 WeakPolarHBondContact OG-CD1 3.42Å; V79-F154 HydrophobicContact CG2-CB 3.9Å; P94-F154 HydrophobicContact CG-CD1 4.05Å; P94-F154 HydrophobicContact CG-CE1 3.93Å; P94-F154 HydrophobicContact CG-CE2 4.45Å; P94-F154 HydrophobicContact CG-CG 4.37Å; P94-F154 HydrophobicContact CG-CZ 4.18Å; Y96-F154 HydrophobicContact CD2-CE1 4.43Å; Y96-F154 AromaticContact CD2-CZ 3.88Å; Y96-F154 HydrophobicContact CD2-CZ 3.88Å; Y96-F154 AromaticContact CE2-CE1 3.43Å; Y96-F154 HydrophobicContact CE2-CE1 3.43Å; Y96-F154 VanDerWaalsContact CE2-CE1 3.43Å; Y96-F154 HydrophobicContact CE2-CE2 4.45Å; Y96-F154 AromaticContact CE2-CZ 3.27Å; Y96-F154 HydrophobicContact CE2-CZ 3.27Å; Y96-F154 AromaticContact CZ-CE1 3.93Å; Y102-F154 HydrophobicContact CD1-CE2 4.17Å; Y102-F154 HydrophobicContact CE1-CE2 4.06Å; A142-F154 HydrophobicContact CB-CB 4.29Å; A142-F154 HydrophobicContact CB-CD2 4.41Å; A142-F154 PolarHBondContact N-O 2.84Å; A142-F154 CarbonylContact O-C 3.58Å; A142-F154 WeakPolarHBondContact O-CA 3.23Å; A142-F154 PolarHBondContact O-N 3.03Å; A142-F154 VanDerWaalsContact O-N 3.09Å; A144-F154 HydrophobicContact CB-CD2 4.36Å; A144-F154 HydrophobicContact CB-CE2 3.26Å; A144-F154 HydrophobicContact CB-CZ 3.62Å; L152-F154 HydrophobicContact CB-CE1 4.21Å; L152-F154 HydrophobicContact CB-CZ 3.92Å; L152-F154 HydrophobicContact CD1-CZ 4.31Å
155	V	50.6	Low	50.4	Low	35 Å²	35	57.8 Å²	57.8	21%	0.212	28%	0.281	C	S	.	.			trans	-86.5	121	167.2	-174.6	0	0	0	0	105.5	F153 K157	F153-V155 HydrophobicContact CB-CG2 4.37Å; F153-V155 PolarHBondContact O-N 3.47Å; V155-K157 HydrophobicContact CG1-CG 4.43Å; V155-K157 PolarHBondContact O-N 3.2Å
156	S	47.2	Very low	48.6	Very low	50 Å²	50	60 Å²	60	35%	0.35	30%	0.296	S	S	.	.			trans	-63.8	79.2	160.3	177.2	0	0	0	0	107.4	H158	S156-H158 PolarHBondContact O-N 3.02Å; S156-H158 VanDerWaalsContact O-N 3.09Å
157	K	38.6	Very low	47	Very low	99 Å²	99	66.8 Å²	66.8	43%	0.43	33%	0.327	S	S	.	.	S	Bend	trans	-68.7	106.1	168.4	-108.8	-173.3	178.6	-175.2	0	104.6	E75 V155	E75-K157 IonicContact OE1-NZ 2.93Å; E75-K157 PolarHBondContact OE1-NZ 2.87Å; V155-K157 HydrophobicContact CG1-CG 4.43Å; V155-K157 PolarHBondContact O-N 3.2Å
158	H	34.9	Very low	45.9	Very low	177 Å²	177	66.7 Å²	66.7	82%	0.819	32%	0.324	S	S	*	.	S	Bend	trans	90.9	11.4	166.8	-55.9	-67.7	0	0	0	120.9	S156	S156-H158 PolarHBondContact O-N 3.02Å; S156-H158 VanDerWaalsContact O-N 3.09Å
159	Q	37	Very low	45.1	Very low	114 Å²	114	66.6 Å²	66.6	53%	0.533	32%	0.323	S	S	.	.			trans	-106	95.1	158.4	-67	-166.1	3.2	0	0	110	H161	Q159-H161 PolarHBondContact O-N 3.43Å; Q159-H161 PolarHBondContact OE1-CE1 2.94Å
160	R	33	Very low	44.7	Very low	224 Å²	224	66.9 Å²	66.9	85%	0.845	32%	0.323	S	S	*	.			trans	-56.1	92.1	151.1	-74.3	-178.2	-177	172	1.8	105.6	T162	R160-T162 PolarHBondContact O-N 3.45Å
161	H	36.8	Very low	44.2	Very low	71 Å²	71	69 Å²	69	33%	0.329	34%	0.336	S	S	.	.			trans	-69.7	90.5	158.9	-72.1	-51.7	0	0	0	104.6	Q159 I163	Q159-H161 PolarHBondContact O-N 3.43Å; Q159-H161 PolarHBondContact OE1-CE1 2.94Å; H161-I163 HydrophobicContact CB-CG1 4.27Å; H161-I163 PolarHBondContact O-N 3.06Å
162	T	32.1	Very low	44	Very low	67 Å²	67	75.5 Å²	75.5	41%	0.411	37%	0.371	S	S	.	.			trans	-59.6	95.4	150.1	-31.3	0	0	0	0	103.6	T137 R160 F164	T137-T162 HydrophobicContact CG2-CG2 4.26Å; R160-T162 PolarHBondContact O-N 3.45Å; T162-F164 VanDerWaalsContact CB-CE2 3.44Å; T162-F164 HydrophobicContact CG2-CD1 4.22Å; T162-F164 HydrophobicContact CG2-CD2 4.11Å; T162-F164 HydrophobicContact CG2-CE1 3.8Å; T162-F164 HydrophobicContact CG2-CE2 3.7Å; T162-F164 HydrophobicContact CG2-CG 4.36Å; T162-F164 HydrophobicContact CG2-CZ 3.53Å; T162-F164 WeakPolarHBondContact O-CD2 3.29Å; T162-F164 PolarHBondContact O-N 2.87Å
163	I	38.2	Very low	44.2	Very low	9 Å²	9	75.6 Å²	75.6	5%	0.046	37%	0.371	C	S	.	.			trans	-62.5	80.8	166.8	-69.6	175.6	0	0	0	103.5	F83 L89 L138 I140 H161	F83-I163 HydrophobicContact CE1-CG2 3.59Å; F83-I163 HydrophobicContact CE2-CG2 4.4Å; F83-I163 HydrophobicContact CZ-CB 4.07Å; F83-I163 HydrophobicContact CZ-CG2 3.24Å; L89-I163 HydrophobicContact CD1-CD1 4.13Å; L138-I163 HydrophobicContact CB-CD1 3.73Å; L138-I163 HydrophobicContact CD1-CD1 3.89Å; L138-I163 HydrophobicContact CG-CD1 4.41Å; I140-I163 HydrophobicContact CD1-CD1 4.4Å; H161-I163 HydrophobicContact CB-CG1 4.27Å; H161-I163 PolarHBondContact O-N 3.06Å
164	F	36.6	Very low	44.2	Very low	141 Å²	141	82.8 Å²	82.8	62%	0.618	40%	0.402	S	S	*	.			trans	-69.2	126.5	163.5	-69.3	-72.3	0	0	0	104.3	F83 T162	F83-F164 VanDerWaalsContact CZ-O 3.24Å; F83-F164 WeakPolarHBondContact CZ-O 3.44Å; T162-F164 VanDerWaalsContact CB-CE2 3.44Å; T162-F164 HydrophobicContact CG2-CD1 4.22Å; T162-F164 HydrophobicContact CG2-CD2 4.11Å; T162-F164 HydrophobicContact CG2-CE1 3.8Å; T162-F164 HydrophobicContact CG2-CE2 3.7Å; T162-F164 HydrophobicContact CG2-CG 4.36Å; T162-F164 HydrophobicContact CG2-CZ 3.53Å; T162-F164 WeakPolarHBondContact O-CD2 3.29Å; T162-F164 PolarHBondContact O-N 2.87Å
165	P	38.1	Very low	44.7	Very low	28 Å²	28	85.8 Å²	85.8	18%	0.182	42%	0.424	C	S	.	.			trans	-48.8	138.6	163.6	23.3	-32.3	0	0	0	107.1	E167 T272	P165-E167 PolarHBondContact O-N 3.01Å; P165-T272 HydrophobicContact CG-CG2 4.07Å
166	P	38.4	Very low	45.2	Very low	48 Å²	48	89.9 Å²	89.9	31%	0.312	44%	0.441	S	S	.	.			trans	-45.6	131.5	-172.5	15.4	-29.5	0	0	0	109.9	F168	P166-F168 PolarHBondContact O-N 2.98Å
167	E	39.5	Very low	46.4	Very low	161 Å²	161	92.4 Å²	92.4	75%	0.752	45%	0.447	S	S	*	.			trans	-50	114.7	175.8	-81.7	-172	166.7	0	0	107.6	P165 L169	P165-E167 PolarHBondContact O-N 3.01Å; E167-L169 HydrophobicContact CB-CD1 4.22Å; E167-L169 PolarHBondContact O-N 2.83Å
168	F	42.1	Very low	48.5	Very low	18 Å²	18	88.9 Å²	88.9	8%	0.079	43%	0.432	C	S	.	.			trans	-74.2	74	-172.7	-178.8	-99.1	0	0	0	109.4	P166 L170 P196 L199 N275	P166-F168 PolarHBondContact O-N 2.98Å; F168-L170 HydrophobicContact CD1-CG 4.48Å; F168-L170 HydrophobicContact CE1-CD1 4.01Å; F168-L170 HydrophobicContact CE1-CD2 4.02Å; F168-L170 HydrophobicContact CE1-CG 3.63Å; F168-L170 HydrophobicContact CZ-CD2 3.82Å; F168-L170 HydrophobicContact CZ-CG 3.98Å; F168-L170 PolarHBondContact O-N 2.87Å; F168-P196 HydrophobicContact CD2-CG 3.95Å; F168-P196 HydrophobicContact CE2-CG 4.41Å; F168-L199 HydrophobicContact CE2-CD2 4.01Å; F168-L199 HydrophobicContact CE2-CG 3.82Å; F168-L199 HydrophobicContact CZ-CD1 4.43Å; F168-L199 HydrophobicContact CZ-CD2 3.6Å; F168-L199 HydrophobicContact CZ-CG 3.83Å; F168-N275 HydrophobicContact CD1-CB 4.32Å; F168-N275 PolarHBondContact O-ND2 3.3Å
169	L	45.7	Very low	51	Low	105 Å²	105	83.3 Å²	83.3	55%	0.55	41%	0.405	S	S	.	.			trans	-90.8	102.2	178.3	-80	151.3	0	0	0	109.5	E167 T171 P196	E167-L169 HydrophobicContact CB-CD1 4.22Å; E167-L169 PolarHBondContact O-N 2.83Å; L169-T171 PolarHBondContact O-N 3.15Å; L169-P196 WeakPolarHBondContact O-CD 3.41Å
170	L	51.1	Low	53.4	Low	11 Å²	11	79.8 Å²	79.8	6%	0.058	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-60.5	126.5	162.3	-72.3	170.5	0	0	0	108.1	F168 H195 N275 I277	F168-L170 HydrophobicContact CD1-CG 4.48Å; F168-L170 HydrophobicContact CE1-CD1 4.01Å; F168-L170 HydrophobicContact CE1-CD2 4.02Å; F168-L170 HydrophobicContact CE1-CG 3.63Å; F168-L170 HydrophobicContact CZ-CD2 3.82Å; F168-L170 HydrophobicContact CZ-CG 3.98Å; F168-L170 PolarHBondContact O-N 2.87Å; L170-H195 HydrophobicContact CD2-CB 3.87Å; L170-N275 WeakPolarHBondContact CD1-O 3.26Å; L170-I277 HydrophobicContact CB-CB 4.5Å; L170-I277 HydrophobicContact CB-CD1 3.95Å; L170-I277 HydrophobicContact CB-CG1 4.18Å; L170-I277 HydrophobicContact CB-CG2 3.57Å; L170-I277 HydrophobicContact CD1-CD1 4.47Å; L170-I277 HydrophobicContact CD1-CG1 4.1Å; L170-I277 HydrophobicContact CD1-CG2 4.45Å
171	T	54.2	Low	56	Low	65 Å²	65	71 Å²	71	40%	0.399	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-68.4	158.9	176.5	58.6	0	0	0	0	111.4	L169 L173 S194 I277	L169-T171 PolarHBondContact O-N 3.15Å; T171-L173 PolarHBondContact O-N 3.36Å; T171-S194 PolarHBondContact N-O 3.3Å; T171-S194 PolarHBondContact OG1-N 3.1Å; T171-S194 VanDerWaalsContact OG1-N 3.08Å; T171-S194 PolarHBondContact OG1-O 3.15Å; T171-I277 VanDerWaalsContact O-CD1 3.24Å; T171-I277 WeakPolarHBondContact O-CD1 3.48Å
172	D	58	Low	58.3	Low	140 Å²	140	71.3 Å²	71.3	75%	0.749	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-48.8	134.5	171.9	-69.9	-32.3	0	0	0	111.5	K174	D172-K174 PolarHBondContact O-N 2.9Å
173	L	60.1	Low	61	Low	18 Å²	18	77 Å²	77	9%	0.094	39%	0.391	C	S	.	.			trans	-63.9	100.6	172	-91.1	142.9	0	0	0	109.1	T171 Y191 W193 L263 I277 T279	T171-L173 PolarHBondContact O-N 3.36Å; L173-Y191 HydrophobicContact CB-CD1 4.14Å; L173-Y191 HydrophobicContact CD2-CD1 3.88Å; L173-Y191 HydrophobicContact CD2-CG 3.89Å; L173-W193 HydrophobicContact CD2-CE3 4.31Å; L173-L263 HydrophobicContact CD1-CD1 4Å; L173-L263 HydrophobicContact CD1-CG 4.2Å; L173-L263 HydrophobicContact CD2-CD1 3.62Å; L173-L263 HydrophobicContact CD2-CG 4.41Å; L173-L263 HydrophobicContact CG-CD1 4.01Å; L173-I277 HydrophobicContact CD1-CB 4.3Å; L173-I277 HydrophobicContact CD1-CD1 3.65Å; L173-I277 HydrophobicContact CD1-CG1 3.71Å; L173-I277 HydrophobicContact CG-CD1 3.62Å; L173-I277 HydrophobicContact CG-CG1 4.27Å; L173-T279 HydrophobicContact CB-CG2 3.92Å; L173-T279 HydrophobicContact CD1-CG2 4.06Å; L173-T279 HydrophobicContact CG-CG2 4.46Å
174	K	59.2	Low	63.2	Low	156 Å²	156	81.8 Å²	81.8	68%	0.678	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	119.4	172.9	-69	-172.5	179.7	-176.6	0	108.6	D172 E176 Y191 A192	D172-K174 PolarHBondContact O-N 2.9Å; K174-E176 PolarHBondContact O-N 3Å; K174-Y191 WeakPolarHBondContact O-CA 3.09Å; K174-A192 PolarHBondContact N-O 2.95Å; K174-A192 PolarHBondContact O-N 3.14Å
175	S	66.4	Low	65.5	Low	65 Å²	65	79.3 Å²	79.3	46%	0.455	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	113.4	165.9	-173.9	0	0	0	0	106.7
176	E	62.6	Low	67.8	Low	121 Å²	121	78.4 Å²	78.4	57%	0.565	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	-49.7	176.3	-67.1	-162.9	154	0	0	109.5	K174 Q190 A192	K174-E176 PolarHBondContact O-N 3Å; E176-Q190 PolarHBondContact N-O 3.36Å; E176-A192 HydrophobicContact CG-CB 4.05Å; E176-A192 WeakPolarHBondContact OE1-CB 3.35Å
177	E	71.1	Confident	70	Confident	102 Å²	102	76.1 Å²	76.1	48%	0.477	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	147	-175.5	-62.7	-173.7	169	0	0	112.5	Y179 Q190	E177-Y179 HydrophobicContact CB-CD1 4.07Å; E177-Y179 HydrophobicContact CB-CE1 4.41Å; E177-Q190 PolarHBondContact O-N 3.05Å
178	L	83.4	Confident	72.2	Confident	25 Å²	25	69.3 Å²	69.3	13%	0.131	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	101.2	171.1	-177	69.3	0	0	0	109.1	V187 I188 A189 L281 L283 V288 E289	L178-V187 HydrophobicContact CD1-CG1 3.63Å; L178-V187 HydrophobicContact CG-CG1 4.34Å; L178-I188 WeakPolarHBondContact CA-O 3.29Å; L178-A189 HydrophobicContact CD1-CB 3.7Å; L178-L281 HydrophobicContact CD1-CD1 4.21Å; L178-L281 HydrophobicContact CD2-CD1 4.1Å; L178-L283 HydrophobicContact CD1-CD2 4.18Å; L178-L283 HydrophobicContact CD2-CD2 4.37Å; L178-V288 HydrophobicContact CD2-CG2 3.8Å; L178-V288 HydrophobicContact CG-CB 4.47Å; L178-V288 HydrophobicContact CG-CG2 4Å; L178-E289 PolarHBondContact O-N 3.36Å
179	Y	86.8	Confident	74	Confident	61 Å²	61	68.4 Å²	68.4	24%	0.239	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	158.6	-174	64.5	-90.9	0	0	0	112.7	E177 D181 V187 I188 Q190	E177-Y179 HydrophobicContact CB-CD1 4.07Å; E177-Y179 HydrophobicContact CB-CE1 4.41Å; Y179-D181 HydrophobicContact CE2-CB 4.46Å; Y179-V187 WeakPolarHBondContact O-CA 3.21Å; Y179-I188 HydrophobicContact CD1-CB 4.48Å; Y179-I188 HydrophobicContact CD2-CB 4.41Å; Y179-I188 HydrophobicContact CE1-CB 3.99Å; Y179-I188 HydrophobicContact CE1-CG2 3.99Å; Y179-I188 HydrophobicContact CE2-CB 3.91Å; Y179-I188 HydrophobicContact CE2-CD1 3.71Å; Y179-I188 HydrophobicContact CE2-CG1 4.13Å; Y179-I188 PolarHBondContact N-O 3.05Å; Y179-I188 VanDerWaalsContact N-O 3.12Å; Y179-I188 PolarHBondContact O-N 2.73Å; Y179-Q190 PolarHBondContact OH-NE2 2.77Å
180	F	88.2	Confident	75.6	Confident	40 Å²	40	64.8 Å²	64.8	18%	0.175	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117.5	174.3	179.2	-119.6	0	0	0	110.7	A182 D185 S186 V187 V288 E289 F291	F180-A182 HydrophobicContact CD1-CB 4.31Å; F180-A182 HydrophobicContact CE1-CB 3.89Å; F180-A182 PolarHBondContact O-N 3Å; F180-D185 WeakPolarHBondContact CZ-OD1 3.17Å; F180-S186 WeakPolarHBondContact CD2-O 3.15Å; F180-V187 HydrophobicContact CD2-CG2 4.03Å; F180-V288 HydrophobicContact CB-CG1 4Å; F180-E289 WeakPolarHBondContact CB-O 3.31Å; F180-E289 PolarHBondContact N-O 3.4Å; F180-F291 HydrophobicContact CB-CB 4.12Å; F180-F291 HydrophobicContact CB-CD2 4.08Å; F180-F291 HydrophobicContact CD1-CD2 4.41Å; F180-F291 AromaticContact CD2-CD2 3.76Å; F180-F291 HydrophobicContact CD2-CD2 3.76Å; F180-F291 HydrophobicContact CD2-CE2 4.19Å; F180-F291 HydrophobicContact CE2-CD2 4.31Å; F180-F291 HydrophobicContact CE2-CE2 4.35Å; F180-F291 AromaticContact CG-CD2 3.82Å; F180-F291 HydrophobicContact CG-CD2 3.82Å
181	D	87.4	Confident	76.6	Confident	38 Å²	38	64.4 Å²	64.4	20%	0.203	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	99	168.3	178.7	7.1	0	0	0	109.6	Y179 K183 N184 D185 S186 I188	Y179-D181 HydrophobicContact CE2-CB 4.46Å; D181-K183 PolarHBondContact O-N 3.02Å; D181-K183 VanDerWaalsContact OD1-CB 3.3Å; D181-K183 WeakPolarHBondContact OD1-CB 3.43Å; D181-K183 PolarHBondContact OD1-N 3.37Å; D181-N184 PolarHBondContact O-N 3.35Å; D181-N184 PolarHBondContact OD2-ND2 2.83Å; D181-D185 PolarHBondContact O-N 3.48Å; D181-D185 VanDerWaalsContact O-N 3.09Å; D181-S186 PolarHBondContact N-O 2.85Å; D181-S186 PolarHBondContact O-N 2.64Å; D181-S186 VanDerWaalsContact O-N 3.15Å; D181-I188 HydrophobicContact CB-CD1 3.96Å; D181-I188 HydrophobicContact CB-CG1 4.42Å
182	A	85.9	Confident	77.3	Confident	78 Å²	78	62.5 Å²	62.5	65%	0.645	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.6	179.1	0	0	0	0	0	113.5	F180	F180-A182 HydrophobicContact CD1-CB 4.31Å; F180-A182 HydrophobicContact CE1-CB 3.89Å; F180-A182 PolarHBondContact O-N 3Å
183	K	86.9	Confident	77.7	Confident	187 Å²	187	56.1 Å²	56.1	81%	0.813	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-37.6	-179.2	-175.1	-178	175.6	-175.7	0	111.5	D181	D181-K183 PolarHBondContact O-N 3.02Å; D181-K183 VanDerWaalsContact OD1-CB 3.3Å; D181-K183 WeakPolarHBondContact OD1-CB 3.43Å; D181-K183 PolarHBondContact OD1-N 3.37Å
184	N	85.2	Confident	77.7	Confident	109 Å²	109	57.8 Å²	57.8	58%	0.583	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	4.6	-176.5	-65.9	-40.5	0	0	0	113.4	D181 S186	D181-N184 PolarHBondContact O-N 3.35Å; D181-N184 PolarHBondContact OD2-ND2 2.83Å; N184-S186 PolarHBondContact O-N 3.28Å
185	D	85.7	Confident	77.6	Confident	89 Å²	89	51.1 Å²	51.1	48%	0.476	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	45.4	-172.5	-168.8	34.9	0	0	0	112.8	F180 D181 S250	F180-D185 WeakPolarHBondContact CZ-OD1 3.17Å; D181-D185 PolarHBondContact O-N 3.48Å; D181-D185 VanDerWaalsContact O-N 3.09Å; D185-S250 PolarHBondContact O-N 3.09Å; D185-S250 VanDerWaalsContact O-N 3.12Å; D185-S250 WeakPolarHBondContact OD1-CB 3.4Å; D185-S250 PolarHBondContact OD1-OG 2.94Å; D185-S250 PolarHBondContact OD2-OG 3.08Å
186	S	86.1	Confident	76.7	Confident	9 Å²	9	50 Å²	50	6%	0.063	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.9	-171.4	71.9	0	0	0	0	112.1	F180 D181 N184 L248	F180-S186 WeakPolarHBondContact CD2-O 3.15Å; D181-S186 PolarHBondContact N-O 2.85Å; D181-S186 PolarHBondContact O-N 2.64Å; D181-S186 VanDerWaalsContact O-N 3.15Å; N184-S186 PolarHBondContact O-N 3.28Å; S186-L248 CarbonylContact C-O 3.39Å; S186-L248 VanDerWaalsContact CA-O 3.28Å; S186-L248 WeakPolarHBondContact CA-O 3.36Å; S186-L248 WeakPolarHBondContact CB-O 3.29Å
187	V	84.4	Confident	76	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.5	172.3	175.3	0	0	0	0	108.1	L178 Y179 F180 L248 V253 L283 V288 F291	L178-V187 HydrophobicContact CD1-CG1 3.63Å; L178-V187 HydrophobicContact CG-CG1 4.34Å; Y179-V187 WeakPolarHBondContact O-CA 3.21Å; F180-V187 HydrophobicContact CD2-CG2 4.03Å; V187-L248 PolarHBondContact N-O 3.34Å; V187-L248 PolarHBondContact O-N 2.8Å; V187-V253 HydrophobicContact CB-CG2 4.43Å; V187-V253 HydrophobicContact CG2-CG2 3.57Å; V187-L283 HydrophobicContact CG1-CD2 4.4Å; V187-V288 HydrophobicContact CG1-CG1 3.79Å; V187-V288 HydrophobicContact CG1-CG2 4.11Å; V187-V288 HydrophobicContact CG2-CG1 3.98Å; V187-F291 HydrophobicContact CG2-CD2 4.36Å
188	I	84.9	Confident	74.7	Confident	18 Å²	18	43.2 Å²	43.2	9%	0.092	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.6	-177	-58.1	-177.1	0	0	0	107.7	L178 Y179 D181 Q190 I245	L178-I188 WeakPolarHBondContact CA-O 3.29Å; Y179-I188 HydrophobicContact CD1-CB 4.48Å; Y179-I188 HydrophobicContact CD2-CB 4.41Å; Y179-I188 HydrophobicContact CE1-CB 3.99Å; Y179-I188 HydrophobicContact CE1-CG2 3.99Å; Y179-I188 HydrophobicContact CE2-CB 3.91Å; Y179-I188 HydrophobicContact CE2-CD1 3.71Å; Y179-I188 HydrophobicContact CE2-CG1 4.13Å; Y179-I188 PolarHBondContact N-O 3.05Å; Y179-I188 VanDerWaalsContact N-O 3.12Å; Y179-I188 PolarHBondContact O-N 2.73Å; D181-I188 HydrophobicContact CB-CD1 3.96Å; D181-I188 HydrophobicContact CB-CG1 4.42Å; I188-Q190 HydrophobicContact CG2-CG 4.06Å; I188-I245 HydrophobicContact CG2-CG2 3.7Å
189	A	81.1	Confident	73	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122	172	0	0	0	0	0	108.9	L178 Y191 I246 L281	L178-A189 HydrophobicContact CD1-CB 3.7Å; A189-Y191 HydrophobicContact CB-CE2 3.9Å; A189-I246 HydrophobicContact CB-CB 4.48Å; A189-I246 PolarHBondContact N-O 2.97Å; A189-I246 PolarHBondContact O-N 2.92Å; A189-L281 HydrophobicContact CB-CD2 3.7Å
190	Q	79.3	Confident	71.1	Confident	28 Å²	28	46.9 Å²	46.9	13%	0.131	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.9	-179.3	-65.3	-178.5	-10.1	0	0	110.4	E176 E177 Y179 I188 I245	E176-Q190 PolarHBondContact N-O 3.36Å; E177-Q190 PolarHBondContact O-N 3.05Å; Y179-Q190 PolarHBondContact OH-NE2 2.77Å; I188-Q190 HydrophobicContact CG2-CG 4.06Å; Q190-I245 HydrophobicContact CG-CG1 4.28Å
191	Y	72.1	Confident	69.1	Low	4 Å²	4	51 Å²	51	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.5	175.6	-66.3	-89.6	0	0	0	110.3	L173 K174 A189 E243 L244 I246 I261 T279 L281	L173-Y191 HydrophobicContact CB-CD1 4.14Å; L173-Y191 HydrophobicContact CD2-CD1 3.88Å; L173-Y191 HydrophobicContact CD2-CG 3.89Å; K174-Y191 WeakPolarHBondContact O-CA 3.09Å; A189-Y191 HydrophobicContact CB-CE2 3.9Å; Y191-E243 CarbonylContact O-C 3.44Å; Y191-E243 WeakPolarHBondContact O-CA 3.43Å; Y191-L244 PolarHBondContact N-O 3.25Å; Y191-L244 PolarHBondContact O-N 3.17Å; Y191-I246 HydrophobicContact CD2-CD1 4.37Å; Y191-I246 HydrophobicContact CE2-CD1 4.23Å; Y191-I261 HydrophobicContact CD2-CD1 4.06Å; Y191-I261 HydrophobicContact CE1-CD1 4.3Å; Y191-I261 HydrophobicContact CE2-CD1 3.26Å; Y191-I261 VanDerWaalsContact CZ-CD1 3.41Å; Y191-I261 WeakPolarHBondContact OH-CD1 3.47Å; Y191-T279 HydrophobicContact CD1-CG2 4.18Å; Y191-T279 HydrophobicContact CE1-CG2 3.62Å; Y191-L281 WeakPolarHBondContact OH-CB 3.35Å
192	A	68.6	Low	67.1	Low	25 Å²	25	56.3 Å²	56.3	21%	0.207	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.6	172.4	0	0	0	0	0	110.2	K174 E176 A242	K174-A192 PolarHBondContact N-O 2.95Å; K174-A192 PolarHBondContact O-N 3.14Å; E176-A192 HydrophobicContact CG-CB 4.05Å; E176-A192 WeakPolarHBondContact OE1-CB 3.35Å; A192-A242 WeakPolarHBondContact CA-O 3.25Å
193	W	67.1	Low	65.1	Low	6 Å²	6	53.6 Å²	53.6	2%	0.023	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	155.4	169.4	70.7	98.7	0	0	0	110.8	L173 L205 Y237 K241 A242 L244 L263	L173-W193 HydrophobicContact CD2-CE3 4.31Å; W193-L205 HydrophobicContact CZ2-CD1 4.08Å; W193-L205 HydrophobicContact CZ2-CD2 4.34Å; W193-Y237 HydrophobicContact CZ2-CE1 4.48Å; W193-K241 WeakPolarHBondContact O-CA 3.4Å; W193-A242 HydrophobicContact CD2-CB 4.06Å; W193-A242 VanDerWaalsContact CE2-CB 3.46Å; W193-A242 HydrophobicContact CE3-CB 4.37Å; W193-A242 VanDerWaalsContact CE3-O 3.28Å; W193-A242 HydrophobicContact CH2-CB 3.61Å; W193-A242 HydrophobicContact CZ2-CB 3.25Å; W193-A242 HydrophobicContact CZ3-CB 4.14Å; W193-A242 PolarHBondContact N-O 2.87Å; W193-A242 PolarHBondContact O-N 2.89Å; W193-L244 HydrophobicContact CH2-CB 4.12Å; W193-L244 HydrophobicContact CZ3-CB 3.57Å; W193-L263 HydrophobicContact CD2-CD1 3.61Å; W193-L263 HydrophobicContact CE3-CD1 3.54Å; W193-L263 HydrophobicContact CG-CD1 4.41Å; W193-L263 HydrophobicContact CH2-CD1 3.64Å; W193-L263 HydrophobicContact CH2-CD2 4.19Å; W193-L263 HydrophobicContact CZ2-CD1 3.66Å; W193-L263 HydrophobicContact CZ2-CD2 4.44Å; W193-L263 HydrophobicContact CZ3-CD1 3.58Å
194	S	59.5	Low	63.1	Low	53 Å²	53	49 Å²	49	37%	0.371	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	139.8	169.1	-65.5	0	0	0	0	108.6	T171 D240	T171-S194 PolarHBondContact N-O 3.3Å; T171-S194 PolarHBondContact OG1-N 3.1Å; T171-S194 VanDerWaalsContact OG1-N 3.08Å; T171-S194 PolarHBondContact OG1-O 3.15Å; S194-D240 CarbonylContact C-O 3.54Å; S194-D240 VanDerWaalsContact CA-O 3.25Å; S194-D240 WeakPolarHBondContact CA-O 3.17Å
195	H	56.3	Low	61.3	Low	15 Å²	15	44.9 Å²	44.9	7%	0.069	26%	0.258	C	S	.	.			trans	-125.4	138.4	174.8	61.8	-85	0	0	0	108.9	L170 L199 S238 A239 D240	L170-H195 HydrophobicContact CD2-CB 3.87Å; H195-L199 HydrophobicContact CB-CD1 4.31Å; H195-L199 WeakPolarHBondContact CD2-CD1 3.34Å; H195-S238 PolarHBondContact CE1-O 3.2Å; H195-A239 PolarHBondContact NE2-O 3.44Å; H195-D240 PolarHBondContact N-O 3.21Å
196	P	48.5	Very low	59.6	Low	41 Å²	41	45 Å²	45	27%	0.266	26%	0.258	S	S	.	.			trans	-62.7	139.8	172.6	23.8	-29.5	0	0	0	109.9	F168 L169 G198	F168-P196 HydrophobicContact CD2-CG 3.95Å; F168-P196 HydrophobicContact CE2-CG 4.41Å; L169-P196 WeakPolarHBondContact O-CD 3.41Å; P196-G198 PolarHBondContact O-N 3.28Å
197	L	47.5	Very low	57.8	Low	61 Å²	61	46 Å²	46	32%	0.319	27%	0.267	S	S	.	.	S	Bend	trans	-53.7	121.4	177.1	-73.6	153	0	0	0	110.1	I84 N85 A86 A239	I84-L197 WeakPolarHBondContact O-CD1 3.22Å; N85-L197 HydrophobicContact CB-CB 3.45Å; N85-L197 VanDerWaalsContact CB-CB 3.45Å; N85-L197 HydrophobicContact CB-CD1 3.93Å; N85-L197 HydrophobicContact CB-CG 4.17Å; A86-L197 PolarHBondContact N-O 2.79Å; L197-A239 HydrophobicContact CD2-CB 3.6Å; L197-A239 WeakPolarHBondContact CD2-O 3.49Å
198	G	43.1	Very low	56.1	Low	20 Å²	20	48.3 Å²	48.3	21%	0.206	28%	0.283	C	S	.	.			trans	143.2	10.4	-172.4	0	0	0	0	0	115.6	P196 V268	P196-G198 PolarHBondContact O-N 3.28Å; G198-V268 WeakPolarHBondContact O-CG2 3.25Å
199	L	48.7	Very low	54.3	Low	26 Å²	26	48 Å²	48	14%	0.136	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-68.8	140.8	159.7	-82.1	169.3	0	0	0	108.9	F168 H195 P201 L205	F168-L199 HydrophobicContact CE2-CD2 4.01Å; F168-L199 HydrophobicContact CE2-CG 3.82Å; F168-L199 HydrophobicContact CZ-CD1 4.43Å; F168-L199 HydrophobicContact CZ-CD2 3.6Å; F168-L199 HydrophobicContact CZ-CG 3.83Å; H195-L199 HydrophobicContact CB-CD1 4.31Å; H195-L199 WeakPolarHBondContact CD2-CD1 3.34Å; L199-P201 WeakPolarHBondContact O-CD 3.28Å; L199-L205 HydrophobicContact CD1-CD1 3.71Å; L199-L205 HydrophobicContact CD2-CD1 4.42Å
200	R	47.6	Very low	52.7	Low	137 Å²	137	52.5 Å²	52.5	52%	0.517	30%	0.303	S	S	.	.			trans	-59.9	123.1	164.9	-118.3	179.4	-176	142.8	2	106.3	D202 S203 V268	R200-D202 PolarHBondContact O-N 3.29Å; R200-S203 VanDerWaalsContact CB-CB 3.49Å; R200-S203 VanDerWaalsContact CB-OG 3.26Å; R200-S203 WeakPolarHBondContact CB-OG 3.41Å; R200-S203 PolarHBondContact O-N 3.3Å; R200-S203 PolarHBondContact O-OG 2.87Å; R200-V268 HydrophobicContact CB-CG2 4.39Å; R200-V268 HydrophobicContact CG-CG2 4.16Å
201	P	46.3	Very low	51	Low	126 Å²	126	55.4 Å²	55.4	82%	0.818	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-25.7	176.9	4.5	-8.2	0	0	0	111.8	L199	L199-P201 WeakPolarHBondContact O-CD 3.28Å
202	D	44.8	Very low	49.6	Very low	150 Å²	150	55.6 Å²	55.6	80%	0.802	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	0.3	-177.5	-46.5	-29.8	0	0	0	113.4	R200 S204	R200-D202 PolarHBondContact O-N 3.29Å; D202-S204 PolarHBondContact O-N 3.09Å
203	S	43.9	Very low	48.3	Very low	22 Å²	22	58 Å²	58	15%	0.154	33%	0.329	C	S	.	.	S	Bend	trans	-83.8	112.1	176.3	65.7	0	0	0	0	109.4	R200 L205	R200-S203 VanDerWaalsContact CB-CB 3.49Å; R200-S203 VanDerWaalsContact CB-OG 3.26Å; R200-S203 WeakPolarHBondContact CB-OG 3.41Å; R200-S203 PolarHBondContact O-N 3.3Å; R200-S203 PolarHBondContact O-OG 2.87Å; S203-L205 PolarHBondContact O-N 3.25Å
204	S	43.7	Very low	47.2	Very low	89 Å²	89	63 Å²	63	62%	0.622	36%	0.356	S	S	*	.			trans	-50.4	106.4	169.3	54.1	0	0	0	0	109.3	D202 L206	D202-S204 PolarHBondContact O-N 3.09Å; S204-L206 PolarHBondContact O-N 3.35Å
205	L	48.8	Very low	45.8	Very low	24 Å²	24	66.7 Å²	66.7	13%	0.126	37%	0.37	C	S	.	.			trans	-61.3	112.5	166.7	-128.3	150.2	0	0	0	106.1	W193 L199 S203 A207 Y237 L263 Q264	W193-L205 HydrophobicContact CZ2-CD1 4.08Å; W193-L205 HydrophobicContact CZ2-CD2 4.34Å; L199-L205 HydrophobicContact CD1-CD1 3.71Å; L199-L205 HydrophobicContact CD2-CD1 4.42Å; S203-L205 PolarHBondContact O-N 3.25Å; L205-A207 PolarHBondContact O-N 3.07Å; L205-Y237 WeakPolarHBondContact CB-OH 3.47Å; L205-Y237 HydrophobicContact CD1-CE1 3.69Å; L205-L263 HydrophobicContact CD2-CB 4.04Å; L205-L263 HydrophobicContact CD2-CD2 4.16Å; L205-Q264 WeakPolarHBondContact CD2-O 3.34Å
206	L	49.7	Very low	44.5	Very low	91 Å²	91	69.7 Å²	69.7	48%	0.476	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	96.3	-179.8	-70.1	169.2	0	0	0	107.1	S204 Q264	S204-L206 PolarHBondContact O-N 3.35Å; L206-Q264 HydrophobicContact CB-CB 4.42Å; L206-Q264 PolarHBondContact N-O 3.23Å; L206-Q264 PolarHBondContact O-N 2.72Å; L206-Q264 VanDerWaalsContact O-N 3.12Å
207	A	48.8	Very low	43.5	Very low	30 Å²	30	77.8 Å²	77.8	25%	0.248	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	115.6	165.6	0	0	0	0	0	108.4	L205 L244 L263	L205-A207 PolarHBondContact O-N 3.07Å; A207-L244 HydrophobicContact CB-CD1 4.09Å; A207-L263 HydrophobicContact CB-CD2 3.66Å
208	S	48.6	Very low	42.7	Very low	49 Å²	49	81.6 Å²	81.6	34%	0.343	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130	172	72.3	0	0	0	0	109.5	I261 S262	S208-I261 WeakPolarHBondContact O-CA 3.25Å; S208-S262 PolarHBondContact N-O 3.21Å; S208-S262 PolarHBondContact O-N 3.48Å; S208-S262 WeakPolarHBondContact OG-CB 3.03Å
209	V	47	Very low	42	Very low	11 Å²	11	85 Å²	85	7%	0.067	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	109.9	173.2	179.7	0	0	0	0	107	Y230 I232 I246 F259 K260 I261	V209-Y230 HydrophobicContact CB-CE2 4.14Å; V209-Y230 PolarHBondContact O-OH 2.91Å; V209-I232 HydrophobicContact CB-CD1 4.28Å; V209-I232 HydrophobicContact CG2-CD1 3.57Å; V209-I232 HydrophobicContact CG2-CG1 4.35Å; V209-I246 HydrophobicContact CG2-CD1 3.93Å; V209-F259 HydrophobicContact CG1-CB 4.02Å; V209-F259 HydrophobicContact CG1-CD1 3.76Å; V209-F259 HydrophobicContact CG1-CG 4.25Å; V209-K260 WeakPolarHBondContact CA-O 3.43Å; V209-I261 HydrophobicContact CG2-CG1 4.38Å
210	Q	46.9	Very low	41.3	Very low	95 Å²	95	91.6 Å²	91.6	44%	0.444	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121.3	178.2	-67.6	-179.6	-16.4	0	0	109.4	F259 K260	Q210-F259 CarbonylContact O-C 3.59Å; Q210-F259 VanDerWaalsContact O-CA 3.28Å; Q210-F259 WeakPolarHBondContact O-CA 3.11Å; Q210-K260 HydrophobicContact CB-CB 4.39Å; Q210-K260 PolarHBondContact N-O 2.8Å; Q210-K260 PolarHBondContact O-N 3.03Å
211	R	43	Very low	40.4	Very low	88 Å²	88	91 Å²	91	33%	0.332	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	134.8	173	-176.4	-176.7	-179.9	-173.2	1.6	109.6	E255 C257 F259	R211-E255 IonicContact CZ-OE2 3.42Å; R211-E255 IonicContact NH2-OE2 3Å; R211-E255 PolarHBondContact NH2-OE2 2.8Å; R211-C257 PolarHBondContact NE-SG 2.71Å; R211-C257 PolarHBondContact NH2-SG 2.65Å; R211-F259 HydrophobicContact CB-CD1 4.08Å; R211-F259 HydrophobicContact CB-CE1 3.89Å; R211-F259 HydrophobicContact CG-CD1 4.43Å; R211-F259 HydrophobicContact CG-CE1 3.94Å; R211-F259 HydrophobicContact CG-CZ 4.41Å
212	G	43.2	Very low	39.6	Very low	9 Å²	9	92.3 Å²	92.3	9%	0.093	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.1	161.5	0	0	0	0	0	111.7	W258	G212-W258 PolarHBondContact N-O 2.9Å; G212-W258 PolarHBondContact O-N 3.39Å
213	T	41.9	Very low	38.8	Very low	76 Å²	76	93.6 Å²	93.6	47%	0.466	51%	0.508	S	S	.	.			trans	-108.4	146.6	177.7	49.4	0	0	0	0	109.7	L215	T213-L215 PolarHBondContact O-N 3Å; T213-L215 VanDerWaalsContact O-N 3.15Å
214	N	43	Very low	38.3	Very low	111 Å²	111	97.2 Å²	97.2	59%	0.594	53%	0.533	S	S	*	.	S	Bend	trans	-72.2	2.7	176.4	-76.8	-33.5	0	0	0	114.1	G216 R256	N214-G216 PolarHBondContact O-N 2.71Å; N214-R256 PolarHBondContact ND2-O 2.9Å
215	L	31.5	Very low	37.5	Very low	130 Å²	130	101.5 Å²	101.5	68%	0.681	54%	0.537	S	S	*	.			trans	-76.8	103.4	173.1	-77.2	156.2	0	0	0	108.3	T213 Y217	T213-L215 PolarHBondContact O-N 3Å; T213-L215 VanDerWaalsContact O-N 3.15Å; L215-Y217 HydrophobicContact CB-CD2 4.41Å; L215-Y217 PolarHBondContact O-N 3.17Å
216	G	29	Very low	36.5	Very low	77 Å²	77	107.5 Å²	107.5	79%	0.794	57%	0.569	S	S	*	*			trans	-65.3	61.9	178.2	0	0	0	0	0	113.9	N214	N214-G216 PolarHBondContact O-N 2.71Å
217	Y	27.2	Very low	35.6	Very low	211 Å²	211	104.2 Å²	104.2	83%	0.827	55%	0.553	S	S	*	*			trans	-83.7	115.1	165.6	-89.3	-88.5	0	0	0	109.4	L215	L215-Y217 HydrophobicContact CB-CD2 4.41Å; L215-Y217 PolarHBondContact O-N 3.17Å
218	N	29.5	Very low	34.9	Very low	142 Å²	142	108.4 Å²	108.4	76%	0.759	58%	0.58	S	S	*	*			trans	-49.5	151.4	166.8	-72.6	-34.8	0	0	0	111.8
219	S	28.9	Very low	34.5	Very low	91 Å²	91	110.5 Å²	110.5	64%	0.636	59%	0.587	S	S	*	*	S	Bend	trans	61	119.8	150.2	54.9	0	0	0	0	118.3	D221	S219-D221 VanDerWaalsContact C-N 3.33Å; S219-D221 PolarHBondContact O-N 3.2Å
220	D	34.2	Very low	34.5	Very low	165 Å²	165	112.6 Å²	112.6	88%	0.882	59%	0.594	S	S	*	*	S	Bend	trans	69.9	-3.1	143.3	-56.4	-21.5	0	0	0	120.6
221	D	28.6	Very low	34.5	Very low	124 Å²	124	111.4 Å²	111.4	66%	0.663	59%	0.593	S	S	*	*			trans	-115.3	41.1	-179.3	-116.5	-18	0	0	0	113.9	S219 R223	S219-D221 VanDerWaalsContact C-N 3.33Å; S219-D221 PolarHBondContact O-N 3.2Å; D221-R223 PolarHBondContact O-N 3.25Å; D221-R223 IonicContact OD1-NE 3.82Å
222	I	29.1	Very low	35	Very low	153 Å²	153	109.8 Å²	109.8	79%	0.785	59%	0.59	S	S	*	*			trans	-71.9	69.4	159.3	-51.6	177.2	0	0	0	107.4	S224	I222-S224 PolarHBondContact O-N 3.41Å; I222-S224 VanDerWaalsContact O-N 3.07Å
223	R	28.1	Very low	35.4	Very low	177 Å²	177	113.8 Å²	113.8	67%	0.668	61%	0.607	S	S	*	*			trans	-61.1	112.1	154.4	-69	-174.2	-176.5	-160.5	-3.5	105.1	D221 Y225	D221-R223 PolarHBondContact O-N 3.25Å; D221-R223 IonicContact OD1-NE 3.82Å; R223-Y225 HydrophobicContact CB-CD2 4.3Å; R223-Y225 HydrophobicContact CB-CE2 4.2Å; R223-Y225 WeakPolarHBondContact O-CD2 3.32Å; R223-Y225 PolarHBondContact O-N 3.38Å
224	S	32.6	Very low	35.7	Very low	99 Å²	99	112.6 Å²	112.6	69%	0.692	60%	0.601	S	S	*	*			trans	-53.1	87.1	160.6	53.4	0	0	0	0	107.3	I222 N226	I222-S224 PolarHBondContact O-N 3.41Å; I222-S224 VanDerWaalsContact O-N 3.07Å; S224-N226 PolarHBondContact O-N 3.44Å
225	Y	27.6	Very low	35.9	Very low	178 Å²	178	110.7 Å²	110.7	70%	0.698	59%	0.593	S	S	*	*			trans	-64	112.6	163.7	-81.9	-89.7	0	0	0	103.9	R223 V227	R223-Y225 HydrophobicContact CB-CD2 4.3Å; R223-Y225 HydrophobicContact CB-CE2 4.2Å; R223-Y225 WeakPolarHBondContact O-CD2 3.32Å; R223-Y225 PolarHBondContact O-N 3.38Å; Y225-V227 WeakPolarHBondContact O-CG2 3.36Å; Y225-V227 PolarHBondContact O-N 2.98Å
226	N	27.7	Very low	36.8	Very low	151 Å²	151	113.4 Å²	113.4	81%	0.807	60%	0.595	S	S	*	*			trans	-62.1	77.4	155.6	-85.6	-11.9	0	0	0	105.4	S224 S228	S224-N226 PolarHBondContact O-N 3.44Å; N226-S228 VanDerWaalsContact C-N 3.29Å; N226-S228 PolarHBondContact O-N 3.42Å
227	V	30.8	Very low	37.9	Very low	21 Å²	21	115.1 Å²	115.1	13%	0.127	58%	0.578	C	S	.	*			trans	-73	96	176.9	177.7	0	0	0	0	103.8	Y225 I229 Y230	Y225-V227 WeakPolarHBondContact O-CG2 3.36Å; Y225-V227 PolarHBondContact O-N 2.98Å; V227-I229 HydrophobicContact CG1-CB 3.37Å; V227-I229 HydrophobicContact CG1-CD1 3.26Å; V227-I229 HydrophobicContact CG1-CG1 3.22Å; V227-I229 PolarHBondContact O-N 3.2Å; V227-Y230 HydrophobicContact CB-CE1 4.22Å; V227-Y230 VanDerWaalsContact O-CD1 3.26Å; V227-Y230 WeakPolarHBondContact O-CD1 3.4Å; V227-Y230 WeakPolarHBondContact O-CE1 3.5Å
228	S	34.4	Very low	39.2	Very low	118 Å²	118	107.7 Å²	107.7	83%	0.825	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	27.6	170.9	60.1	0	0	0	0	112.7	N226	N226-S228 VanDerWaalsContact C-N 3.29Å; N226-S228 PolarHBondContact O-N 3.42Å
229	I	41.4	Very low	40.2	Very low	94 Å²	94	104.2 Å²	104.2	48%	0.482	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-0.2	-176.2	-52.3	176.6	0	0	0	110.2	V227 P249	V227-I229 HydrophobicContact CG1-CB 3.37Å; V227-I229 HydrophobicContact CG1-CD1 3.26Å; V227-I229 HydrophobicContact CG1-CG1 3.22Å; V227-I229 PolarHBondContact O-N 3.2Å; I229-P249 HydrophobicContact CG2-CB 4.31Å; I229-P249 VanDerWaalsContact CG2-CD 3.45Å; I229-P249 HydrophobicContact CG2-CG 3.3Å; I229-P249 VanDerWaalsContact O-CD 3.26Å; I229-P249 WeakPolarHBondContact O-CD 3.48Å
230	Y	46.3	Very low	41.5	Very low	54 Å²	54	103.4 Å²	103.4	21%	0.212	54%	0.536	C	S	.	.			trans	-132	139	175.5	59.6	-95.3	0	0	0	110.9	V209 V227 I232 T247	V209-Y230 HydrophobicContact CB-CE2 4.14Å; V209-Y230 PolarHBondContact O-OH 2.91Å; V227-Y230 HydrophobicContact CB-CE1 4.22Å; V227-Y230 VanDerWaalsContact O-CD1 3.26Å; V227-Y230 WeakPolarHBondContact O-CD1 3.4Å; V227-Y230 WeakPolarHBondContact O-CE1 3.5Å; Y230-I232 HydrophobicContact CD2-CD1 4.07Å; Y230-I232 HydrophobicContact CD2-CG1 3.55Å; Y230-I232 HydrophobicContact CE2-CD1 3.62Å; Y230-I232 HydrophobicContact CE2-CG1 3.62Å; Y230-T247 WeakPolarHBondContact CA-O 3.44Å; Y230-T247 VanDerWaalsContact CB-O 3.24Å; Y230-T247 WeakPolarHBondContact CB-O 3.49Å
231	T	47	Very low	42.8	Very low	71 Å²	71	101 Å²	101	44%	0.436	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.8	163.8	24.2	0	0	0	0	107.7	H233 T247	T231-H233 WeakPolarHBondContact CB-NE2 3.33Å; T231-T247 PolarHBondContact N-O 3Å; T231-T247 PolarHBondContact O-N 2.71Å
232	I	53.3	Low	44.5	Very low	53 Å²	53	95.2 Å²	95.2	27%	0.272	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.1	165.1	-56.1	-175.5	0	0	0	106.3	V209 Y230 L244	V209-I232 HydrophobicContact CB-CD1 4.28Å; V209-I232 HydrophobicContact CG2-CD1 3.57Å; V209-I232 HydrophobicContact CG2-CG1 4.35Å; Y230-I232 HydrophobicContact CD2-CD1 4.07Å; Y230-I232 HydrophobicContact CD2-CG1 3.55Å; Y230-I232 HydrophobicContact CE2-CD1 3.62Å; Y230-I232 HydrophobicContact CE2-CG1 3.62Å; I232-L244 HydrophobicContact CG2-CD1 3.31Å; I232-L244 HydrophobicContact CG2-CG 4.49Å
233	H	50.3	Low	46.2	Very low	94 Å²	94	89.7 Å²	89.7	44%	0.435	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	109.2	167.2	-63.9	-65.8	0	0	0	107.9	T231 T235 I245	T231-H233 WeakPolarHBondContact CB-NE2 3.33Å; H233-T235 VanDerWaalsContact C-N 3.33Å; H233-T235 HydrophobicContact CB-CG2 3.84Å; H233-T235 PolarHBondContact O-N 3.37Å; H233-I245 HydrophobicContact CB-CB 4.5Å; H233-I245 PolarHBondContact N-O 3.13Å; H233-I245 PolarHBondContact O-N 3.33Å
234	C	48.5	Very low	48.3	Very low	50 Å²	50	81.2 Å²	81.2	34%	0.338	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	94.2	158	-69.7	0	0	0	0	106.5	Y237	C234-Y237 HydrophobicContact CB-CE2 3.6Å
235	T	47.6	Very low	50.2	Low	71 Å²	71	77.8 Å²	77.8	44%	0.436	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-31.1	-169.3	33.1	0	0	0	0	113.1	H233 E243 I245	H233-T235 VanDerWaalsContact C-N 3.33Å; H233-T235 HydrophobicContact CB-CG2 3.84Å; H233-T235 PolarHBondContact O-N 3.37Å; T235-E243 PolarHBondContact OG1-OE2 3.4Å; T235-I245 HydrophobicContact CG2-CD1 3.73Å; T235-I245 HydrophobicContact CG2-CG1 4.36Å; T235-I245 VanDerWaalsContact OG1-CD1 3.23Å; T235-I245 WeakPolarHBondContact OG1-CD1 3.44Å; T235-I245 WeakPolarHBondContact OG1-CG1 3.44Å
236	R	50.4	Low	52.5	Low	188 Å²	188	69.3 Å²	69.3	71%	0.709	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.9	118	-173.5	-74.7	-178.3	165	171.9	-5.5	111.6	A242 E243	R236-A242 WeakPolarHBondContact O-CA 3.3Å; R236-E243 HydrophobicContact CB-CB 4.4Å; R236-E243 PolarHBondContact O-N 2.72Å
237	Y	53.4	Low	55	Low	113 Å²	113	63.5 Å²	63.5	44%	0.443	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117	162.1	-76	-87	0	0	0	107.6	W193 L205 C234 A242	W193-Y237 HydrophobicContact CZ2-CE1 4.48Å; L205-Y237 WeakPolarHBondContact CB-OH 3.47Å; L205-Y237 HydrophobicContact CD1-CE1 3.69Å; C234-Y237 HydrophobicContact CB-CE2 3.6Å; Y237-A242 HydrophobicContact CD1-CB 3.58Å; Y237-A242 HydrophobicContact CE1-CB 3.58Å; Y237-A242 HydrophobicContact CG-CB 4.39Å
238	S	53.8	Low	57.4	Low	55 Å²	55	62.7 Å²	62.7	39%	0.385	33%	0.331	S	S	.	.			trans	-98	172.7	157.7	70.6	0	0	0	0	108.9	H195 D240 K241	H195-S238 PolarHBondContact CE1-O 3.2Å; S238-D240 PolarHBondContact O-N 2.94Å; S238-D240 VanDerWaalsContact O-N 3.09Å; S238-D240 PolarHBondContact OG-OD1 2.91Å; S238-K241 PolarHBondContact N-O 3.06Å; S238-K241 VanDerWaalsContact O-O 3.11Å; S238-K241 VanDerWaalsContact OG-CB 3.3Å; S238-K241 WeakPolarHBondContact OG-CB 3.22Å; S238-K241 PolarHBondContact OG-N 2.69Å; S238-K241 PolarHBondContact OG-O 3.23Å
239	A	50.4	Low	59.6	Low	68 Å²	68	59 Å²	59	56%	0.562	31%	0.305	S	S	*	.	S	Bend	trans	-60.2	-21.9	-178.3	0	0	0	0	0	113.2	H195 L197	H195-A239 PolarHBondContact NE2-O 3.44Å; L197-A239 HydrophobicContact CD2-CB 3.6Å; L197-A239 WeakPolarHBondContact CD2-O 3.49Å
240	D	56.2	Low	61.6	Low	75 Å²	75	55.3 Å²	55.3	40%	0.401	29%	0.287	S	S	.	.	S	Bend	trans	-127.3	-9.6	-173.4	65	-35.2	0	0	0	114.3	S194 H195 S238	S194-D240 CarbonylContact C-O 3.54Å; S194-D240 VanDerWaalsContact CA-O 3.25Å; S194-D240 WeakPolarHBondContact CA-O 3.17Å; H195-D240 PolarHBondContact N-O 3.21Å; S238-D240 PolarHBondContact O-N 2.94Å; S238-D240 VanDerWaalsContact O-N 3.09Å; S238-D240 PolarHBondContact OG-OD1 2.91Å
241	K	62.1	Low	63.2	Low	114 Å²	114	58.7 Å²	58.7	50%	0.496	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.6	-174.9	-57.6	174.5	-174.6	176.9	0	111.2	W193 S238	W193-K241 WeakPolarHBondContact O-CA 3.4Å; S238-K241 PolarHBondContact N-O 3.06Å; S238-K241 VanDerWaalsContact O-O 3.11Å; S238-K241 VanDerWaalsContact OG-CB 3.3Å; S238-K241 WeakPolarHBondContact OG-CB 3.22Å; S238-K241 PolarHBondContact OG-N 2.69Å; S238-K241 PolarHBondContact OG-O 3.23Å
242	A	62.5	Low	64.6	Low	3 Å²	3	55.7 Å²	55.7	3%	0.025	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	150	172.1	0	0	0	0	0	110.7	A192 W193 R236 Y237	A192-A242 WeakPolarHBondContact CA-O 3.25Å; W193-A242 HydrophobicContact CD2-CB 4.06Å; W193-A242 VanDerWaalsContact CE2-CB 3.46Å; W193-A242 HydrophobicContact CE3-CB 4.37Å; W193-A242 VanDerWaalsContact CE3-O 3.28Å; W193-A242 HydrophobicContact CH2-CB 3.61Å; W193-A242 HydrophobicContact CZ2-CB 3.25Å; W193-A242 HydrophobicContact CZ3-CB 4.14Å; W193-A242 PolarHBondContact N-O 2.87Å; W193-A242 PolarHBondContact O-N 2.89Å; R236-A242 WeakPolarHBondContact O-CA 3.3Å; Y237-A242 HydrophobicContact CD1-CB 3.58Å; Y237-A242 HydrophobicContact CE1-CB 3.58Å; Y237-A242 HydrophobicContact CG-CB 4.39Å
243	E	66.3	Low	65.8	Low	36 Å²	36	53.1 Å²	53.1	17%	0.168	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.4	-179.3	-169.7	-170.6	-179.5	0	0	109.9	Y191 T235 R236 I245	Y191-E243 CarbonylContact O-C 3.44Å; Y191-E243 WeakPolarHBondContact O-CA 3.43Å; T235-E243 PolarHBondContact OG1-OE2 3.4Å; R236-E243 HydrophobicContact CB-CB 4.4Å; R236-E243 PolarHBondContact O-N 2.72Å; E243-I245 HydrophobicContact CG-CG1 4.23Å
244	L	70.8	Confident	66.9	Low	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114	175.3	177.6	78.1	0	0	0	108.2	Y191 W193 A207 I232 I246 I261 L263	Y191-L244 PolarHBondContact N-O 3.25Å; Y191-L244 PolarHBondContact O-N 3.17Å; W193-L244 HydrophobicContact CH2-CB 4.12Å; W193-L244 HydrophobicContact CZ3-CB 3.57Å; A207-L244 HydrophobicContact CB-CD1 4.09Å; I232-L244 HydrophobicContact CG2-CD1 3.31Å; I232-L244 HydrophobicContact CG2-CG 4.49Å; L244-I246 HydrophobicContact CD2-CD1 3.95Å; L244-I246 HydrophobicContact CD2-CG1 4.12Å; L244-I246 HydrophobicContact CG-CD1 4.43Å; L244-I246 HydrophobicContact CG-CG1 4.04Å; L244-I261 HydrophobicContact CD2-CG2 3.58Å; L244-L263 HydrophobicContact CD2-CD2 4.26Å
245	I	72.8	Confident	68	Low	26 Å²	26	54.9 Å²	54.9	13%	0.133	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.6	173.1	-54.5	-173.7	0	0	0	108.2	I188 Q190 H233 T235 E243	I188-I245 HydrophobicContact CG2-CG2 3.7Å; Q190-I245 HydrophobicContact CG-CG1 4.28Å; H233-I245 HydrophobicContact CB-CB 4.5Å; H233-I245 PolarHBondContact N-O 3.13Å; H233-I245 PolarHBondContact O-N 3.33Å; T235-I245 HydrophobicContact CG2-CD1 3.73Å; T235-I245 HydrophobicContact CG2-CG1 4.36Å; T235-I245 VanDerWaalsContact OG1-CD1 3.23Å; T235-I245 WeakPolarHBondContact OG1-CD1 3.44Å; T235-I245 WeakPolarHBondContact OG1-CG1 3.44Å; E243-I245 HydrophobicContact CG-CG1 4.23Å
246	I	76	Confident	69.1	Low	1 Å²	1	55.3 Å²	55.3	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.5	175.6	-52.6	175	0	0	0	108	A189 Y191 V209 L244 L248 I261	A189-I246 HydrophobicContact CB-CB 4.48Å; A189-I246 PolarHBondContact N-O 2.97Å; A189-I246 PolarHBondContact O-N 2.92Å; Y191-I246 HydrophobicContact CD2-CD1 4.37Å; Y191-I246 HydrophobicContact CE2-CD1 4.23Å; V209-I246 HydrophobicContact CG2-CD1 3.93Å; L244-I246 HydrophobicContact CD2-CD1 3.95Å; L244-I246 HydrophobicContact CD2-CG1 4.12Å; L244-I246 HydrophobicContact CG-CD1 4.43Å; L244-I246 HydrophobicContact CG-CG1 4.04Å; I246-L248 HydrophobicContact CG2-CD1 4.5Å; I246-L248 HydrophobicContact CG2-CD2 3.68Å; I246-L248 HydrophobicContact CG2-CG 3.96Å; I246-I261 HydrophobicContact CD1-CD1 3.41Å; I246-I261 VanDerWaalsContact CD1-CD1 3.41Å; I246-I261 HydrophobicContact CD1-CG1 3.65Å; I246-I261 HydrophobicContact CD1-CG2 4.19Å
247	T	80.7	Confident	70	Confident	29 Å²	29	46.4 Å²	46.4	18%	0.178	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.7	173.3	-54	0	0	0	0	109.3	Y230 T231	Y230-T247 WeakPolarHBondContact CA-O 3.44Å; Y230-T247 VanDerWaalsContact CB-O 3.24Å; Y230-T247 WeakPolarHBondContact CB-O 3.49Å; T231-T247 PolarHBondContact N-O 3Å; T231-T247 PolarHBondContact O-N 2.71Å
248	L	80.9	Confident	70.9	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.6	-180	-55.8	172.3	0	0	0	108.8	S186 V187 I246 A252 F259 L281 L283	S186-L248 CarbonylContact C-O 3.39Å; S186-L248 VanDerWaalsContact CA-O 3.28Å; S186-L248 WeakPolarHBondContact CA-O 3.36Å; S186-L248 WeakPolarHBondContact CB-O 3.29Å; V187-L248 PolarHBondContact N-O 3.34Å; V187-L248 PolarHBondContact O-N 2.8Å; I246-L248 HydrophobicContact CG2-CD1 4.5Å; I246-L248 HydrophobicContact CG2-CD2 3.68Å; I246-L248 HydrophobicContact CG2-CG 3.96Å; L248-A252 HydrophobicContact CB-CB 4.41Å; L248-F259 HydrophobicContact CD1-CD2 3.97Å; L248-F259 HydrophobicContact CD1-CE2 3.72Å; L248-F259 HydrophobicContact CD1-CZ 4.27Å; L248-F259 HydrophobicContact CD2-CE1 4.1Å; L248-F259 HydrophobicContact CD2-CE2 4.14Å; L248-F259 HydrophobicContact CD2-CZ 3.85Å; L248-L281 HydrophobicContact CD1-CD2 3.93Å; L248-L283 HydrophobicContact CD1-CD1 3.81Å; L248-L283 HydrophobicContact CD1-CD2 4.08Å; L248-L283 HydrophobicContact CD1-CG 4.31Å
249	P	81	Confident	71.7	Confident	41 Å²	41	43 Å²	43	27%	0.266	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	152.2	173.4	33.6	-41	0	0	0	110.2	I229 K251 A252	I229-P249 HydrophobicContact CG2-CB 4.31Å; I229-P249 VanDerWaalsContact CG2-CD 3.45Å; I229-P249 HydrophobicContact CG2-CG 3.3Å; I229-P249 VanDerWaalsContact O-CD 3.26Å; I229-P249 WeakPolarHBondContact O-CD 3.48Å; P249-K251 PolarHBondContact O-N 3.02Å; P249-K251 VanDerWaalsContact O-N 3.11Å; P249-A252 HydrophobicContact CG-CB 4.21Å; P249-A252 VanDerWaalsContact O-CB 3.3Å; P249-A252 WeakPolarHBondContact O-CB 3.4Å; P249-A252 PolarHBondContact O-N 2.91Å
250	S	83.1	Confident	72.7	Confident	17 Å²	17	43.5 Å²	43.5	12%	0.119	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-36.4	172.9	64.2	0	0	0	0	113.4	D185 A252 V253	D185-S250 PolarHBondContact O-N 3.09Å; D185-S250 VanDerWaalsContact O-N 3.12Å; D185-S250 WeakPolarHBondContact OD1-CB 3.4Å; D185-S250 PolarHBondContact OD1-OG 2.94Å; D185-S250 PolarHBondContact OD2-OG 3.08Å; S250-A252 PolarHBondContact O-N 3.35Å; S250-A252 VanDerWaalsContact O-N 3.17Å; S250-V253 WeakPolarHBondContact O-CB 3.31Å; S250-V253 PolarHBondContact O-N 3.36Å
251	K	80.2	Confident	73.3	Confident	125 Å²	125	40 Å²	40	54%	0.543	19%	0.187	S	C	.	.	H	α-helix	trans	-57.1	-29.4	177.2	-160.1	-175	-170.3	-131.6	0	113.5	P249 V253 L254 E255	P249-K251 PolarHBondContact O-N 3.02Å; P249-K251 VanDerWaalsContact O-N 3.11Å; K251-V253 PolarHBondContact O-N 2.72Å; K251-L254 PolarHBondContact O-N 3.28Å; K251-E255 WeakPolarHBondContact CD-OE1 3.26Å; K251-E255 WeakPolarHBondContact CE-OE1 3.24Å; K251-E255 HydrophobicContact CG-CG 4.38Å; K251-E255 IonicContact NZ-OE1 2.7Å; K251-E255 PolarHBondContact NZ-OE1 3.32Å; K251-E255 WeakPolarHBondContact O-CG 3.3Å; K251-E255 PolarHBondContact O-N 2.75Å
252	A	77	Confident	73.3	Confident	7 Å²	7	35.1 Å²	35.1	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-29.8	178.3	0	0	0	0	0	112.3	L248 P249 S250 R256 C257 F259 L283	L248-A252 HydrophobicContact CB-CB 4.41Å; P249-A252 HydrophobicContact CG-CB 4.21Å; P249-A252 VanDerWaalsContact O-CB 3.3Å; P249-A252 WeakPolarHBondContact O-CB 3.4Å; P249-A252 PolarHBondContact O-N 2.91Å; S250-A252 PolarHBondContact O-N 3.35Å; S250-A252 VanDerWaalsContact O-N 3.17Å; A252-R256 PolarHBondContact O-N 3.32Å; A252-C257 HydrophobicContact CB-CB 4.33Å; A252-C257 WeakPolarHBondContact O-CB 3.43Å; A252-C257 PolarHBondContact O-N 3.34Å; A252-F259 HydrophobicContact CB-CE2 4.46Å; A252-F259 HydrophobicContact CB-CZ 4.38Å; A252-L283 HydrophobicContact CB-CD1 3.57Å
253	V	77.6	Confident	73.4	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-70.4	-46.4	173.6	-176.3	0	0	0	0	110.8	V187 S250 K251 E255 R256 L283 C285 V288 F291	V187-V253 HydrophobicContact CB-CG2 4.43Å; V187-V253 HydrophobicContact CG2-CG2 3.57Å; S250-V253 WeakPolarHBondContact O-CB 3.31Å; S250-V253 PolarHBondContact O-N 3.36Å; K251-V253 PolarHBondContact O-N 2.72Å; V253-E255 VanDerWaalsContact C-N 3.27Å; V253-E255 PolarHBondContact O-N 2.91Å; V253-R256 PolarHBondContact O-N 2.78Å; V253-L283 HydrophobicContact CG2-CB 4.44Å; V253-L283 HydrophobicContact CG2-CD1 4.17Å; V253-C285 VanDerWaalsContact CG1-CA 3.43Å; V253-C285 HydrophobicContact CG1-CB 3.75Å; V253-V288 HydrophobicContact CG1-CG2 4.42Å; V253-V288 HydrophobicContact CG2-CG2 4.03Å; V253-F291 HydrophobicContact CB-CE1 4.08Å; V253-F291 HydrophobicContact CB-CE2 4.06Å; V253-F291 HydrophobicContact CB-CZ 3.76Å; V253-F291 HydrophobicContact CG1-CD1 3.89Å; V253-F291 HydrophobicContact CG1-CE1 3.6Å; V253-F291 HydrophobicContact CG1-CE2 4.33Å; V253-F291 HydrophobicContact CG1-CG 4.37Å; V253-F291 HydrophobicContact CG1-CZ 3.84Å; V253-F291 HydrophobicContact CG2-CD2 4.37Å; V253-F291 HydrophobicContact CG2-CE2 4.1Å; V253-F291 HydrophobicContact CG2-CZ 4.31Å
254	L	73.3	Confident	73.2	Confident	98 Å²	98	36.4 Å²	36.4	51%	0.513	17%	0.173	S	C	.	.	H	α-helix	trans	-62.2	-36.2	179.2	-62.2	175.8	0	0	0	111.9	K251 R256 F291 P294	K251-L254 PolarHBondContact O-N 3.28Å; L254-R256 PolarHBondContact O-N 3.2Å; L254-F291 HydrophobicContact CD2-CE1 4.24Å; L254-F291 HydrophobicContact CD2-CZ 4.16Å; L254-F291 HydrophobicContact CG-CZ 4.3Å; L254-P294 HydrophobicContact CD2-CG 4.45Å
255	E	71.5	Confident	72.5	Confident	83 Å²	83	36.4 Å²	36.4	39%	0.388	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	3.3	176.7	-68.6	-179.9	-176	0	0	113.4	R211 K251 V253 C257	R211-E255 IonicContact CZ-OE2 3.42Å; R211-E255 IonicContact NH2-OE2 3Å; R211-E255 PolarHBondContact NH2-OE2 2.8Å; K251-E255 WeakPolarHBondContact CD-OE1 3.26Å; K251-E255 WeakPolarHBondContact CE-OE1 3.24Å; K251-E255 HydrophobicContact CG-CG 4.38Å; K251-E255 IonicContact NZ-OE1 2.7Å; K251-E255 PolarHBondContact NZ-OE1 3.32Å; K251-E255 WeakPolarHBondContact O-CG 3.3Å; K251-E255 PolarHBondContact O-N 2.75Å; V253-E255 VanDerWaalsContact C-N 3.27Å; V253-E255 PolarHBondContact O-N 2.91Å; E255-C257 PolarHBondContact O-N 3.43Å
256	R	71.6	Confident	71.7	Confident	79 Å²	79	39.2 Å²	39.2	30%	0.298	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	41.9	-176.2	-57.8	-174.7	-178.9	175.9	11.8	112.8	N214 A252 V253 L254 E297 E417	N214-R256 PolarHBondContact ND2-O 2.9Å; A252-R256 PolarHBondContact O-N 3.32Å; V253-R256 PolarHBondContact O-N 2.78Å; L254-R256 PolarHBondContact O-N 3.2Å; R256-E297 IonicContact CZ-OE1 2.88Å; R256-E297 IonicContact NE-OE1 3.61Å; R256-E297 PolarHBondContact NE-OE1 2.97Å; R256-E297 IonicContact NH2-OE1 2.85Å; R256-E297 PolarHBondContact NH2-OE1 3Å; R256-E417 IonicContact CZ-OE1 2.89Å; R256-E417 IonicContact NH1-OE1 3.37Å; R256-E417 PolarHBondContact NH1-OE1 3.35Å
257	C	69.5	Low	70.6	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.014	19%	0.193	C	C	.	.			trans	-63.5	146.9	179.5	-66.4	0	0	0	0	110.4	R211 A252 E255 F259 L283	R211-C257 PolarHBondContact NE-SG 2.71Å; R211-C257 PolarHBondContact NH2-SG 2.65Å; A252-C257 HydrophobicContact CB-CB 4.33Å; A252-C257 WeakPolarHBondContact O-CB 3.43Å; A252-C257 PolarHBondContact O-N 3.34Å; E255-C257 PolarHBondContact O-N 3.43Å; C257-F259 HydrophobicContact CB-CD2 4.49Å; C257-F259 HydrophobicContact CB-CE2 3.63Å; C257-F259 HydrophobicContact CB-CZ 3.88Å; C257-L283 WeakPolarHBondContact O-CB 3.32Å; C257-L283 PolarHBondContact O-N 3.35Å
258	W	72.5	Confident	69.3	Low	87 Å²	87	40.4 Å²	40.4	33%	0.33	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	149.9	165.6	62.7	-92.8	0	0	0	109.7	G212 K260 I280 L281 K282	G212-W258 PolarHBondContact N-O 2.9Å; G212-W258 PolarHBondContact O-N 3.39Å; W258-K260 HydrophobicContact CZ3-CB 4.25Å; W258-I280 HydrophobicContact CE3-CG2 4.32Å; W258-L281 CarbonylContact C-O 3.59Å; W258-L281 WeakPolarHBondContact CA-O 3.47Å; W258-K282 HydrophobicContact CB-CG 4.08Å
259	F	69.5	Low	68.1	Low	8 Å²	8	40.8 Å²	40.8	4%	0.035	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.8	-178.2	-60.4	-91.3	0	0	0	109.4	V209 Q210 R211 L248 A252 C257 I280 L281 L283	V209-F259 HydrophobicContact CG1-CB 4.02Å; V209-F259 HydrophobicContact CG1-CD1 3.76Å; V209-F259 HydrophobicContact CG1-CG 4.25Å; Q210-F259 CarbonylContact O-C 3.59Å; Q210-F259 VanDerWaalsContact O-CA 3.28Å; Q210-F259 WeakPolarHBondContact O-CA 3.11Å; R211-F259 HydrophobicContact CB-CD1 4.08Å; R211-F259 HydrophobicContact CB-CE1 3.89Å; R211-F259 HydrophobicContact CG-CD1 4.43Å; R211-F259 HydrophobicContact CG-CE1 3.94Å; R211-F259 HydrophobicContact CG-CZ 4.41Å; L248-F259 HydrophobicContact CD1-CD2 3.97Å; L248-F259 HydrophobicContact CD1-CE2 3.72Å; L248-F259 HydrophobicContact CD1-CZ 4.27Å; L248-F259 HydrophobicContact CD2-CE1 4.1Å; L248-F259 HydrophobicContact CD2-CE2 4.14Å; L248-F259 HydrophobicContact CD2-CZ 3.85Å; A252-F259 HydrophobicContact CB-CE2 4.46Å; A252-F259 HydrophobicContact CB-CZ 4.38Å; C257-F259 HydrophobicContact CB-CD2 4.49Å; C257-F259 HydrophobicContact CB-CE2 3.63Å; C257-F259 HydrophobicContact CB-CZ 3.88Å; F259-I280 CarbonylContact O-C 3.48Å; F259-I280 WeakPolarHBondContact O-CA 3.48Å; F259-L281 HydrophobicContact CB-CB 4.35Å; F259-L281 PolarHBondContact N-O 2.78Å; F259-L281 PolarHBondContact O-N 2.78Å; F259-L283 HydrophobicContact CD2-CD1 4.42Å; F259-L283 HydrophobicContact CD2-CG 4.42Å; F259-L283 HydrophobicContact CE2-CD1 3.73Å; F259-L283 HydrophobicContact CE2-CG 4.19Å
260	K	70.7	Confident	66.4	Low	80 Å²	80	43.7 Å²	43.7	35%	0.348	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.4	166.1	-178.7	-178.1	178.8	-177	0	107.7	V209 Q210 W258	V209-K260 WeakPolarHBondContact CA-O 3.43Å; Q210-K260 HydrophobicContact CB-CB 4.39Å; Q210-K260 PolarHBondContact N-O 2.8Å; Q210-K260 PolarHBondContact O-N 3.03Å; W258-K260 HydrophobicContact CZ3-CB 4.25Å
261	I	69.3	Low	64.8	Low	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.1	178	-57.9	160.8	0	0	0	106	Y191 S208 V209 L244 I246 S278 T279 L281	Y191-I261 HydrophobicContact CD2-CD1 4.06Å; Y191-I261 HydrophobicContact CE1-CD1 4.3Å; Y191-I261 HydrophobicContact CE2-CD1 3.26Å; Y191-I261 VanDerWaalsContact CZ-CD1 3.41Å; Y191-I261 WeakPolarHBondContact OH-CD1 3.47Å; S208-I261 WeakPolarHBondContact O-CA 3.25Å; V209-I261 HydrophobicContact CG2-CG1 4.38Å; L244-I261 HydrophobicContact CD2-CG2 3.58Å; I246-I261 HydrophobicContact CD1-CD1 3.41Å; I246-I261 VanDerWaalsContact CD1-CD1 3.41Å; I246-I261 HydrophobicContact CD1-CG1 3.65Å; I246-I261 HydrophobicContact CD1-CG2 4.19Å; I261-S278 CarbonylContact O-C 3.48Å; I261-S278 WeakPolarHBondContact O-CA 3.26Å; I261-S278 WeakPolarHBondContact O-CB 3.41Å; I261-T279 HydrophobicContact CB-CG2 4Å; I261-T279 HydrophobicContact CD1-CG2 4.17Å; I261-T279 PolarHBondContact N-O 2.77Å; I261-T279 PolarHBondContact O-N 3.33Å; I261-L281 HydrophobicContact CD1-CB 3.98Å; I261-L281 HydrophobicContact CD1-CD2 4.41Å
262	S	62.5	Low	63.4	Low	12 Å²	12	47.4 Å²	47.4	8%	0.084	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.1	177.2	-40	0	0	0	0	110	S208 I277	S208-S262 PolarHBondContact N-O 3.21Å; S208-S262 PolarHBondContact O-N 3.48Å; S208-S262 WeakPolarHBondContact OG-CB 3.03Å; S262-I277 CarbonylContact C-O 3.55Å; S262-I277 VanDerWaalsContact CA-O 3.25Å; S262-I277 WeakPolarHBondContact CA-O 3.17Å
263	L	65.2	Low	62	Low	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.9	173.8	-64.5	174.9	0	0	0	108.7	L173 W193 L205 A207 L244 V276 I277	L173-L263 HydrophobicContact CD1-CD1 4Å; L173-L263 HydrophobicContact CD1-CG 4.2Å; L173-L263 HydrophobicContact CD2-CD1 3.62Å; L173-L263 HydrophobicContact CD2-CG 4.41Å; L173-L263 HydrophobicContact CG-CD1 4.01Å; W193-L263 HydrophobicContact CD2-CD1 3.61Å; W193-L263 HydrophobicContact CE3-CD1 3.54Å; W193-L263 HydrophobicContact CG-CD1 4.41Å; W193-L263 HydrophobicContact CH2-CD1 3.64Å; W193-L263 HydrophobicContact CH2-CD2 4.19Å; W193-L263 HydrophobicContact CZ2-CD1 3.66Å; W193-L263 HydrophobicContact CZ2-CD2 4.44Å; W193-L263 HydrophobicContact CZ3-CD1 3.58Å; L205-L263 HydrophobicContact CD2-CB 4.04Å; L205-L263 HydrophobicContact CD2-CD2 4.16Å; A207-L263 HydrophobicContact CB-CD2 3.66Å; L244-L263 HydrophobicContact CD2-CD2 4.26Å; L263-V276 VanDerWaalsContact O-CA 3.31Å; L263-V276 WeakPolarHBondContact O-CA 3.18Å; L263-I277 HydrophobicContact CB-CD1 4.32Å; L263-I277 HydrophobicContact CB-CG1 3.77Å; L263-I277 HydrophobicContact CD1-CD1 3.99Å; L263-I277 HydrophobicContact CD1-CG1 4.31Å; L263-I277 HydrophobicContact CG-CG1 4.46Å; L263-I277 PolarHBondContact N-O 3.28Å; L263-I277 PolarHBondContact O-N 3.35Å
264	Q	61.9	Low	60.7	Low	67 Å²	67	59.9 Å²	59.9	31%	0.313	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.7	174.4	-175.1	175.8	13.2	0	0	109.9	L205 L206 V276	L205-Q264 WeakPolarHBondContact CD2-O 3.34Å; L206-Q264 HydrophobicContact CB-CB 4.42Å; L206-Q264 PolarHBondContact N-O 3.23Å; L206-Q264 PolarHBondContact O-N 2.72Å; L206-Q264 VanDerWaalsContact O-N 3.12Å; Q264-V276 HydrophobicContact CB-CG2 4.1Å; Q264-V276 HydrophobicContact CG-CG2 3.91Å
265	G	56.6	Low	59.9	Low	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-98.4	139.7	171	0	0	0	0	0	111.5	T274 N275	G265-T274 WeakPolarHBondContact O-CA 3.35Å; G265-N275 PolarHBondContact N-O 3.48Å
266	Q	54.7	Low	59.3	Low	85 Å²	85	57.7 Å²	57.7	40%	0.397	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-101.2	128.6	169	-68.4	-176.3	-1.8	0	0	109.6	T274	Q266-T274 HydrophobicContact CG-CG2 4.17Å
267	S	53.6	Low	58.9	Low	21 Å²	21	55 Å²	55	15%	0.147	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-70.7	148.6	174.1	-173	0	0	0	0	111	C269 T272	S267-C269 PolarHBondContact O-N 3.23Å; S267-T272 WeakPolarHBondContact CB-OG1 3.34Å; S267-T272 WeakPolarHBondContact OG-CB 3.1Å; S267-T272 PolarHBondContact OG-OG1 3.1Å
268	V	52.9	Low	58.7	Low	33 Å²	33	58.2 Å²	58.2	20%	0.2	31%	0.305	C	S	.	.	S	Bend	trans	-61.6	-29.3	174.4	168	0	0	0	0	111.9	G198 R200	G198-V268 WeakPolarHBondContact O-CG2 3.25Å; R200-V268 HydrophobicContact CB-CG2 4.39Å; R200-V268 HydrophobicContact CG-CG2 4.16Å
269	C	56.1	Low	58.5	Low	12 Å²	12	56 Å²	56	8%	0.081	30%	0.301	C	S	.	.	S	Bend	trans	-88.5	129	-177.4	-65.4	0	0	0	0	113.2	C135 S267 N271 T272	C135-C269 WeakPolarHBondContact CA-SG 3.42Å; C135-C269 HydrophobicContact CB-CB 3.85Å; C135-C269 WeakPolarHBondContact CB-SG 3.41Å; C135-C269 WeakPolarHBondContact SG-CA 3.37Å; C135-C269 WeakPolarHBondContact SG-CB 3.14Å; C135-C269 CovalentContact SG-SG 2.06Å; C135-C269 PolarHBondContact SG-SG 3.24Å; S267-C269 PolarHBondContact O-N 3.23Å; C269-N271 PolarHBondContact O-N 3.48Å; C269-T272 PolarHBondContact O-N 3.33Å; C269-T272 PolarHBondContact O-OG1 3.19Å
270	P	46.1	Very low	58.5	Low	102 Å²	102	60.3 Å²	60.3	66%	0.662	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	123.2	170.1	26	-29.3	0	0	0	107.5
271	N	49.2	Very low	58.8	Low	167 Å²	167	57 Å²	57	89%	0.893	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.1	2.2	-179.1	-48.1	-33.7	0	0	0	117.7	C269	C269-N271 PolarHBondContact O-N 3.48Å
272	T	49.5	Very low	59.2	Low	53 Å²	53	63.4 Å²	63.4	33%	0.325	34%	0.337	S	S	.	.	S	Bend	trans	-95.6	134.1	171.7	30.8	0	0	0	0	112.1	P165 S267 C269 T274	P165-T272 HydrophobicContact CG-CG2 4.07Å; S267-T272 WeakPolarHBondContact CB-OG1 3.34Å; S267-T272 WeakPolarHBondContact OG-CB 3.1Å; S267-T272 PolarHBondContact OG-OG1 3.1Å; C269-T272 PolarHBondContact O-N 3.33Å; C269-T272 PolarHBondContact O-OG1 3.19Å; T272-T274 PolarHBondContact O-N 3.02Å
273	Y	47.3	Very low	59.9	Low	200 Å²	200	63 Å²	63	78%	0.784	33%	0.334	S	S	*	.			trans	-47.7	130	-173.2	-65.2	-88.1	0	0	0	113.1	N275	Y273-N275 PolarHBondContact O-N 2.8Å
274	T	52	Low	60.5	Low	69 Å²	69	65.8 Å²	65.8	42%	0.423	35%	0.346	S	S	.	.			trans	-69.7	112.2	161.7	51.6	0	0	0	0	108	G265 Q266 T272	G265-T274 WeakPolarHBondContact O-CA 3.35Å; Q266-T274 HydrophobicContact CG-CG2 4.17Å; T272-T274 PolarHBondContact O-N 3.02Å
275	N	56.1	Low	61.4	Low	53 Å²	53	62.7 Å²	62.7	28%	0.283	33%	0.332	S	S	.	.			trans	-84.7	129.6	171.9	-82.3	-15.6	0	0	0	109.8	F168 L170 G265 Y273	F168-N275 HydrophobicContact CD1-CB 4.32Å; F168-N275 PolarHBondContact O-ND2 3.3Å; L170-N275 WeakPolarHBondContact CD1-O 3.26Å; G265-N275 PolarHBondContact N-O 3.48Å; Y273-N275 PolarHBondContact O-N 2.8Å
276	V	59	Low	62.2	Low	81 Å²	81	65.2 Å²	65.2	49%	0.491	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	116.8	173.1	-178.6	0	0	0	0	107.2	L263 Q264	L263-V276 VanDerWaalsContact O-CA 3.31Å; L263-V276 WeakPolarHBondContact O-CA 3.18Å; Q264-V276 HydrophobicContact CB-CG2 4.1Å; Q264-V276 HydrophobicContact CG-CG2 3.91Å
277	I	62.8	Low	63.2	Low	22 Å²	22	63.8 Å²	63.8	11%	0.113	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	140.8	165.5	58	170.8	0	0	0	108.4	L170 T171 L173 S262 L263	L170-I277 HydrophobicContact CB-CB 4.5Å; L170-I277 HydrophobicContact CB-CD1 3.95Å; L170-I277 HydrophobicContact CB-CG1 4.18Å; L170-I277 HydrophobicContact CB-CG2 3.57Å; L170-I277 HydrophobicContact CD1-CD1 4.47Å; L170-I277 HydrophobicContact CD1-CG1 4.1Å; L170-I277 HydrophobicContact CD1-CG2 4.45Å; T171-I277 VanDerWaalsContact O-CD1 3.24Å; T171-I277 WeakPolarHBondContact O-CD1 3.48Å; L173-I277 HydrophobicContact CD1-CB 4.3Å; L173-I277 HydrophobicContact CD1-CD1 3.65Å; L173-I277 HydrophobicContact CD1-CG1 3.71Å; L173-I277 HydrophobicContact CG-CD1 3.62Å; L173-I277 HydrophobicContact CG-CG1 4.27Å; S262-I277 CarbonylContact C-O 3.55Å; S262-I277 VanDerWaalsContact CA-O 3.25Å; S262-I277 WeakPolarHBondContact CA-O 3.17Å; L263-I277 HydrophobicContact CB-CD1 4.32Å; L263-I277 HydrophobicContact CB-CG1 3.77Å; L263-I277 HydrophobicContact CD1-CD1 3.99Å; L263-I277 HydrophobicContact CD1-CG1 4.31Å; L263-I277 HydrophobicContact CG-CG1 4.46Å; L263-I277 PolarHBondContact N-O 3.28Å; L263-I277 PolarHBondContact O-N 3.35Å
278	S	65.3	Low	64.5	Low	70 Å²	70	63.1 Å²	63.1	49%	0.49	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	145.6	176	67.8	0	0	0	0	112.2	I261	I261-S278 CarbonylContact O-C 3.48Å; I261-S278 WeakPolarHBondContact O-CA 3.26Å; I261-S278 WeakPolarHBondContact O-CB 3.41Å
279	T	67.2	Low	65.8	Low	40 Å²	40	67.4 Å²	67.4	25%	0.245	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	158.2	175.3	-169	0	0	0	0	110.1	L173 Y191 I261	L173-T279 HydrophobicContact CB-CG2 3.92Å; L173-T279 HydrophobicContact CD1-CG2 4.06Å; L173-T279 HydrophobicContact CG-CG2 4.46Å; Y191-T279 HydrophobicContact CD1-CG2 4.18Å; Y191-T279 HydrophobicContact CE1-CG2 3.62Å; I261-T279 HydrophobicContact CB-CG2 4Å; I261-T279 HydrophobicContact CD1-CG2 4.17Å; I261-T279 PolarHBondContact N-O 2.77Å; I261-T279 PolarHBondContact O-N 3.33Å
280	I	71.1	Confident	67	Low	99 Å²	99	72.7 Å²	72.7	51%	0.508	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.8	179.2	-57.2	177.8	0	0	0	108.6	W258 F259 K282	W258-I280 HydrophobicContact CE3-CG2 4.32Å; F259-I280 CarbonylContact O-C 3.48Å; F259-I280 WeakPolarHBondContact O-CA 3.48Å; I280-K282 HydrophobicContact CG2-CG 3.92Å
281	L	76.9	Confident	68.8	Low	11 Å²	11	69.3 Å²	69.3	6%	0.058	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	107.1	169.5	179.5	56.7	0	0	0	109.2	L178 A189 Y191 L248 W258 F259 I261 L283	L178-L281 HydrophobicContact CD1-CD1 4.21Å; L178-L281 HydrophobicContact CD2-CD1 4.1Å; A189-L281 HydrophobicContact CB-CD2 3.7Å; Y191-L281 WeakPolarHBondContact OH-CB 3.35Å; L248-L281 HydrophobicContact CD1-CD2 3.93Å; W258-L281 CarbonylContact C-O 3.59Å; W258-L281 WeakPolarHBondContact CA-O 3.47Å; F259-L281 HydrophobicContact CB-CB 4.35Å; F259-L281 PolarHBondContact N-O 2.78Å; F259-L281 PolarHBondContact O-N 2.78Å; I261-L281 HydrophobicContact CD1-CB 3.98Å; I261-L281 HydrophobicContact CD1-CD2 4.41Å; L281-L283 HydrophobicContact CD1-CD2 4.16Å; L281-L283 HydrophobicContact CD2-CD2 4.04Å; L281-L283 HydrophobicContact CG-CD2 3.97Å
282	K	77.5	Confident	70.2	Confident	135 Å²	135	66.7 Å²	66.7	59%	0.587	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	110.1	170.1	-64.2	-174.2	-179.7	179.3	0	108.8	W258 I280 K284	W258-K282 HydrophobicContact CB-CG 4.08Å; I280-K282 HydrophobicContact CG2-CG 3.92Å; K282-K284 PolarHBondContact O-N 3.44Å
283	L	76.4	Confident	71.4	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.01	35%	0.345	C	S	.	.			trans	-74.8	110.1	175.8	-63.3	-176.7	0	0	0	109.4	L178 V187 L248 A252 V253 C257 F259 L281	L178-L283 HydrophobicContact CD1-CD2 4.18Å; L178-L283 HydrophobicContact CD2-CD2 4.37Å; V187-L283 HydrophobicContact CG1-CD2 4.4Å; L248-L283 HydrophobicContact CD1-CD1 3.81Å; L248-L283 HydrophobicContact CD1-CD2 4.08Å; L248-L283 HydrophobicContact CD1-CG 4.31Å; A252-L283 HydrophobicContact CB-CD1 3.57Å; V253-L283 HydrophobicContact CG2-CB 4.44Å; V253-L283 HydrophobicContact CG2-CD1 4.17Å; C257-L283 WeakPolarHBondContact O-CB 3.32Å; C257-L283 PolarHBondContact O-N 3.35Å; F259-L283 HydrophobicContact CD2-CD1 4.42Å; F259-L283 HydrophobicContact CD2-CG 4.42Å; F259-L283 HydrophobicContact CE2-CD1 3.73Å; F259-L283 HydrophobicContact CE2-CG 4.19Å; L281-L283 HydrophobicContact CD1-CD2 4.16Å; L281-L283 HydrophobicContact CD2-CD2 4.04Å; L281-L283 HydrophobicContact CG-CD2 3.97Å
284	K	77.3	Confident	72.5	Confident	60 Å²	60	57.9 Å²	57.9	26%	0.261	32%	0.32	S	S	.	.			trans	-121.6	132.9	169.1	-60.7	-167.8	174.8	-151	0	106.8	K282 Y286 S287 V288 E417	K282-K284 PolarHBondContact O-N 3.44Å; K284-Y286 HydrophobicContact CB-CD1 4.02Å; K284-Y286 HydrophobicContact CB-CD2 4.42Å; K284-Y286 HydrophobicContact CB-CE1 3.77Å; K284-Y286 HydrophobicContact CB-CE2 4.17Å; K284-Y286 HydrophobicContact CB-CG 4.4Å; K284-Y286 HydrophobicContact CD-CE1 3.56Å; K284-Y286 HydrophobicContact CD-CE2 4.03Å; K284-Y286 WeakPolarHBondContact CD-OH 2.99Å; K284-Y286 HydrophobicContact CG-CE1 4.29Å; K284-Y286 PolarHBondContact NZ-OH 2.76Å; K284-Y286 VanDerWaalsContact NZ-OH 3.08Å; K284-Y286 PolarHBondContact O-N 3.43Å; K284-S287 WeakPolarHBondContact O-CB 3.48Å; K284-S287 PolarHBondContact O-N 3.05Å; K284-V288 PolarHBondContact O-N 2.74Å; K284-E417 IonicContact NZ-OE2 3.25Å; K284-E417 PolarHBondContact NZ-OE2 2.82Å
285	C	81.3	Confident	73	Confident	1 Å²	1	60 Å²	60	1%	0.007	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-51.8	-35.4	-174.8	75.7	0	0	0	0	112.3	V253 S287 V288 F291 C293 E297	V253-C285 VanDerWaalsContact CG1-CA 3.43Å; V253-C285 HydrophobicContact CG1-CB 3.75Å; C285-S287 VanDerWaalsContact C-N 3.25Å; C285-S287 PolarHBondContact O-N 2.85Å; C285-V288 PolarHBondContact O-N 3.23Å; C285-F291 HydrophobicContact CB-CD1 3.78Å; C285-F291 HydrophobicContact CB-CE1 4.05Å; C285-C293 HydrophobicContact CB-CB 3.97Å; C285-C293 WeakPolarHBondContact CB-SG 3.25Å; C285-C293 VanDerWaalsContact SG-CA 3.5Å; C285-C293 WeakPolarHBondContact SG-CB 3.49Å; C285-C293 CovalentContact SG-SG 2.04Å; C285-C293 PolarHBondContact SG-SG 2.93Å; C285-E297 WeakPolarHBondContact SG-CB 3.19Å; C285-E297 PolarHBondContact SG-OE2 2.06Å; C285-E297 VanDerWaalsContact SG-OE2 3.33Å
286	Y	73.6	Confident	73.3	Confident	53 Å²	53	62.8 Å²	62.8	21%	0.208	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-79.4	-7.4	-176.1	63.4	-109.7	0	0	0	114.2	K284 C293 E297 K299 F418	K284-Y286 HydrophobicContact CB-CD1 4.02Å; K284-Y286 HydrophobicContact CB-CD2 4.42Å; K284-Y286 HydrophobicContact CB-CE1 3.77Å; K284-Y286 HydrophobicContact CB-CE2 4.17Å; K284-Y286 HydrophobicContact CB-CG 4.4Å; K284-Y286 HydrophobicContact CD-CE1 3.56Å; K284-Y286 HydrophobicContact CD-CE2 4.03Å; K284-Y286 WeakPolarHBondContact CD-OH 2.99Å; K284-Y286 HydrophobicContact CG-CE1 4.29Å; K284-Y286 PolarHBondContact NZ-OH 2.76Å; K284-Y286 VanDerWaalsContact NZ-OH 3.08Å; K284-Y286 PolarHBondContact O-N 3.43Å; Y286-C293 VanDerWaalsContact CA-SG 3.52Å; Y286-C293 PolarHBondContact N-SG 2.94Å; Y286-E297 VanDerWaalsContact CD1-O 3.23Å; Y286-E297 WeakPolarHBondContact CD1-O 3.37Å; Y286-K299 HydrophobicContact CD2-CD 3.93Å; Y286-K299 HydrophobicContact CD2-CG 3.87Å; Y286-K299 HydrophobicContact CE2-CD 4.41Å; Y286-K299 HydrophobicContact CE2-CG 4.2Å; Y286-K299 HydrophobicContact CG-CD 4.41Å; Y286-K299 HydrophobicContact CG-CG 4.02Å; Y286-F418 AromaticContact CE1-CE2 3.99Å; Y286-F418 HydrophobicContact CE1-CE2 3.99Å; Y286-F418 HydrophobicContact CE1-CZ 4.05Å; Y286-F418 HydrophobicContact CE2-CZ 4.38Å; Y286-F418 AromaticContact CZ-CZ 3.75Å
287	S	76.5	Confident	73.6	Confident	55 Å²	55	59.5 Å²	59.5	39%	0.385	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-99	-13.6	175.2	-59.8	0	0	0	0	111.6	K284 C285	K284-S287 WeakPolarHBondContact O-CB 3.48Å; K284-S287 PolarHBondContact O-N 3.05Å; C285-S287 VanDerWaalsContact C-N 3.25Å; C285-S287 PolarHBondContact O-N 2.85Å
288	V	80.9	Confident	73.8	Confident	7 Å²	7	60.6 Å²	60.6	4%	0.042	32%	0.323	C	S	.	.	S	Bend	trans	-93.6	114.3	177.6	-174.7	0	0	0	0	108	L178 F180 V187 V253 K284 C285 F291	L178-V288 HydrophobicContact CD2-CG2 3.8Å; L178-V288 HydrophobicContact CG-CB 4.47Å; L178-V288 HydrophobicContact CG-CG2 4Å; F180-V288 HydrophobicContact CB-CG1 4Å; V187-V288 HydrophobicContact CG1-CG1 3.79Å; V187-V288 HydrophobicContact CG1-CG2 4.11Å; V187-V288 HydrophobicContact CG2-CG1 3.98Å; V253-V288 HydrophobicContact CG1-CG2 4.42Å; V253-V288 HydrophobicContact CG2-CG2 4.03Å; K284-V288 PolarHBondContact O-N 2.74Å; C285-V288 PolarHBondContact O-N 3.23Å; V288-F291 HydrophobicContact CB-CB 3.71Å; V288-F291 HydrophobicContact CB-CG 4.39Å; V288-F291 HydrophobicContact CG1-CB 3.75Å; V288-F291 HydrophobicContact CG1-CD2 4.47Å; V288-F291 HydrophobicContact CG1-CG 4.4Å; V288-F291 WeakPolarHBondContact O-CB 3.14Å; V288-F291 PolarHBondContact O-N 3.33Å
289	E	80.3	Confident	74	Confident	124 Å²	124	62.7 Å²	62.7	58%	0.579	32%	0.323	S	S	*	.	B	Isolated β-bridge	trans	-60.9	141.3	177.3	-167.9	168.5	-172.6	0	0	110.7	L178 F180 F291	L178-E289 PolarHBondContact O-N 3.36Å; F180-E289 WeakPolarHBondContact CB-O 3.31Å; F180-E289 PolarHBondContact N-O 3.4Å; E289-F291 PolarHBondContact O-N 2.93Å; E289-F291 VanDerWaalsContact O-N 3.08Å
290	N	81.5	Confident	74.4	Confident	123 Å²	123	62 Å²	62	66%	0.658	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	5.1	-176.7	-55	-39	0	0	0	116.5
291	F	82.6	Confident	74.8	Confident	30 Å²	30	63.9 Å²	63.9	13%	0.132	32%	0.324	C	S	.	.			trans	-84	128.9	175.1	-162.8	-89.2	0	0	0	111.8	F180 V187 V253 L254 C285 V288 E289 C293	F180-F291 HydrophobicContact CB-CB 4.12Å; F180-F291 HydrophobicContact CB-CD2 4.08Å; F180-F291 HydrophobicContact CD1-CD2 4.41Å; F180-F291 AromaticContact CD2-CD2 3.76Å; F180-F291 HydrophobicContact CD2-CD2 3.76Å; F180-F291 HydrophobicContact CD2-CE2 4.19Å; F180-F291 HydrophobicContact CE2-CD2 4.31Å; F180-F291 HydrophobicContact CE2-CE2 4.35Å; F180-F291 AromaticContact CG-CD2 3.82Å; F180-F291 HydrophobicContact CG-CD2 3.82Å; V187-F291 HydrophobicContact CG2-CD2 4.36Å; V253-F291 HydrophobicContact CB-CE1 4.08Å; V253-F291 HydrophobicContact CB-CE2 4.06Å; V253-F291 HydrophobicContact CB-CZ 3.76Å; V253-F291 HydrophobicContact CG1-CD1 3.89Å; V253-F291 HydrophobicContact CG1-CE1 3.6Å; V253-F291 HydrophobicContact CG1-CE2 4.33Å; V253-F291 HydrophobicContact CG1-CG 4.37Å; V253-F291 HydrophobicContact CG1-CZ 3.84Å; V253-F291 HydrophobicContact CG2-CD2 4.37Å; V253-F291 HydrophobicContact CG2-CE2 4.1Å; V253-F291 HydrophobicContact CG2-CZ 4.31Å; L254-F291 HydrophobicContact CD2-CE1 4.24Å; L254-F291 HydrophobicContact CD2-CZ 4.16Å; L254-F291 HydrophobicContact CG-CZ 4.3Å; C285-F291 HydrophobicContact CB-CD1 3.78Å; C285-F291 HydrophobicContact CB-CE1 4.05Å; V288-F291 HydrophobicContact CB-CB 3.71Å; V288-F291 HydrophobicContact CB-CG 4.39Å; V288-F291 HydrophobicContact CG1-CB 3.75Å; V288-F291 HydrophobicContact CG1-CD2 4.47Å; V288-F291 HydrophobicContact CG1-CG 4.4Å; V288-F291 WeakPolarHBondContact O-CB 3.14Å; V288-F291 PolarHBondContact O-N 3.33Å; E289-F291 PolarHBondContact O-N 2.93Å; E289-F291 VanDerWaalsContact O-N 3.08Å; F291-C293 PolarHBondContact O-N 2.91Å; F291-C293 VanDerWaalsContact O-N 3.09Å
292	S	79.3	Confident	75	Confident	112 Å²	112	64.9 Å²	64.9	78%	0.783	33%	0.331	S	S	*	.			trans	-77.7	96.3	177.7	-71.8	0	0	0	0	111.5
293	C	74.9	Confident	75	Confident	29 Å²	29	59.8 Å²	59.8	20%	0.196	31%	0.311	C	S	.	.			trans	-62.1	136.7	175.9	-83.3	0	0	0	0	113.8	C285 Y286 F291 Q298	C285-C293 HydrophobicContact CB-CB 3.97Å; C285-C293 WeakPolarHBondContact CB-SG 3.25Å; C285-C293 VanDerWaalsContact SG-CA 3.5Å; C285-C293 WeakPolarHBondContact SG-CB 3.49Å; C285-C293 CovalentContact SG-SG 2.04Å; C285-C293 PolarHBondContact SG-SG 2.93Å; Y286-C293 VanDerWaalsContact CA-SG 3.52Å; Y286-C293 PolarHBondContact N-SG 2.94Å; F291-C293 PolarHBondContact O-N 2.91Å; F291-C293 VanDerWaalsContact O-N 3.09Å; C293-Q298 HydrophobicContact CB-CG 4.27Å
294	P	70	Confident	74.6	Confident	39 Å²	39	66 Å²	66	25%	0.253	34%	0.344	S	S	.	.			trans	-53.4	143.9	159.5	-21.6	32.6	0	0	0	111.1	L254 H296 E297	L254-P294 HydrophobicContact CD2-CG 4.45Å; P294-H296 WeakPolarHBondContact CB-CE1 3.16Å; P294-H296 PolarHBondContact O-N 2.86Å; P294-H296 VanDerWaalsContact O-N 3.1Å; P294-E297 HydrophobicContact CB-CG 4.44Å; P294-E297 PolarHBondContact O-N 2.82Å
295	L	62.1	Low	74	Confident	115 Å²	115	71.6 Å²	71.6	60%	0.602	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-53.6	-36.4	-173.4	-74	163	0	0	0	113.5	E297	L295-E297 VanDerWaalsContact C-N 3.28Å; L295-E297 PolarHBondContact O-N 2.82Å
296	H	63.7	Low	73.8	Confident	110 Å²	110	71.9 Å²	71.9	51%	0.509	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-80.3	-1	-177	56	-91.9	0	0	0	114.3	P294 Y414 N415	P294-H296 WeakPolarHBondContact CB-CE1 3.16Å; P294-H296 PolarHBondContact O-N 2.86Å; P294-H296 VanDerWaalsContact O-N 3.1Å; H296-Y414 CarbonylContact C-O 3.54Å; H296-Y414 WeakPolarHBondContact CA-O 3.01Å; H296-N415 WeakPolarHBondContact O-CA 2.85Å; H296-N415 VanDerWaalsContact O-CB 3.25Å; H296-N415 WeakPolarHBondContact O-CB 2.93Å
297	E	65.2	Low	74.3	Confident	13 Å²	13	72.5 Å²	72.5	6%	0.061	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-107.7	0.6	-179.5	-63.2	-160.1	162.9	0	0	113.9	R256 C285 Y286 P294 L295 N415	R256-E297 IonicContact CZ-OE1 2.88Å; R256-E297 IonicContact NE-OE1 3.61Å; R256-E297 PolarHBondContact NE-OE1 2.97Å; R256-E297 IonicContact NH2-OE1 2.85Å; R256-E297 PolarHBondContact NH2-OE1 3Å; C285-E297 WeakPolarHBondContact SG-CB 3.19Å; C285-E297 PolarHBondContact SG-OE2 2.06Å; C285-E297 VanDerWaalsContact SG-OE2 3.33Å; Y286-E297 VanDerWaalsContact CD1-O 3.23Å; Y286-E297 WeakPolarHBondContact CD1-O 3.37Å; P294-E297 HydrophobicContact CB-CG 4.44Å; P294-E297 PolarHBondContact O-N 2.82Å; L295-E297 VanDerWaalsContact C-N 3.28Å; L295-E297 PolarHBondContact O-N 2.82Å; E297-N415 PolarHBondContact O-ND2 3.27Å
298	Q	66.9	Low	74.6	Confident	45 Å²	45	71.6 Å²	71.6	21%	0.21	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-71.7	146.5	-173.8	-57.3	-169.3	-7.2	0	0	113.4	C293 Y414 N415	C293-Q298 HydrophobicContact CB-CG 4.27Å; Q298-Y414 HydrophobicContact CB-CD2 4.45Å; Q298-Y414 HydrophobicContact CB-CG 4.39Å; Q298-N415 WeakPolarHBondContact O-CB 3.42Å
299	K	69.4	Low	74.8	Confident	113 Å²	113	76.1 Å²	76.1	49%	0.491	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-58.6	148.1	170.1	-79.7	170	170.7	151	0	110.2	Y286 K301 F418	Y286-K299 HydrophobicContact CD2-CD 3.93Å; Y286-K299 HydrophobicContact CD2-CG 3.87Å; Y286-K299 HydrophobicContact CE2-CD 4.41Å; Y286-K299 HydrophobicContact CE2-CG 4.2Å; Y286-K299 HydrophobicContact CG-CD 4.41Å; Y286-K299 HydrophobicContact CG-CG 4.02Å; K299-K301 PolarHBondContact O-N 3.1Å; K299-F418 HydrophobicContact CB-CZ 4.46Å; K299-F418 HydrophobicContact CG-CE1 4.44Å; K299-F418 HydrophobicContact CG-CE2 4.35Å; K299-F418 HydrophobicContact CG-CZ 3.78Å
300	P	75.9	Confident	74.9	Confident	26 Å²	26	71.7 Å²	71.7	17%	0.169	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-55.8	133.8	172.7	-23.8	33.2	0	0	0	110.9	A412 V413 F418 P421	P300-A412 CarbonylContact C-O 3.49Å; P300-A412 WeakPolarHBondContact CA-O 3.5Å; P300-V413 HydrophobicContact CB-CG2 4.29Å; P300-V413 HydrophobicContact CG-CG2 4.47Å; P300-F418 VanDerWaalsContact CD-CG 3.43Å; P300-F418 HydrophobicContact CG-CB 3.49Å; P300-F418 VanDerWaalsContact CG-CB 3.49Å; P300-F418 HydrophobicContact CG-CD1 3.91Å; P300-F418 HydrophobicContact CG-CD2 4.23Å; P300-F418 HydrophobicContact CG-CG 3.63Å; P300-P421 HydrophobicContact CB-CB 4.42Å; P300-P421 HydrophobicContact CB-CG 4.48Å
301	K	78.8	Confident	75	Confident	139 Å²	139	68.4 Å²	68.4	60%	0.604	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.9	176.9	-169.2	177.2	-179.4	178.1	0	109	K299 A412 Y414	K299-K301 PolarHBondContact O-N 3.1Å; K301-A412 PolarHBondContact N-O 2.79Å; K301-A412 WeakPolarHBondContact O-CB 3.33Å; K301-A412 PolarHBondContact O-N 3.5Å; K301-Y414 HydrophobicContact CB-CE2 3.85Å
302	C	81.6	Confident	74.6	Confident	31 Å²	31	70.6 Å²	70.6	21%	0.209	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	142.6	179.3	-56.5	0	0	0	0	111.4	L410 C411 V426	C302-L410 WeakPolarHBondContact CA-O 3.21Å; C302-C411 HydrophobicContact CB-CB 3.96Å; C302-C411 WeakPolarHBondContact CB-SG 3.44Å; C302-C411 WeakPolarHBondContact SG-CB 3.41Å; C302-C411 CovalentContact SG-SG 2.04Å; C302-C411 PolarHBondContact SG-SG 2.87Å; C302-V426 HydrophobicContact CB-CB 4.21Å; C302-V426 HydrophobicContact CB-CG1 3.64Å; C302-V426 HydrophobicContact CB-CG2 3.69Å; C302-V426 WeakPolarHBondContact SG-CG2 3.43Å
303	L	76.7	Confident	74.3	Confident	29 Å²	29	67.7 Å²	67.7	15%	0.152	34%	0.34	C	S	.	.			trans	-82.6	129.6	-179.2	-75.8	155.7	0	0	0	108.6	R305 W328 L338 L410	L303-R305 VanDerWaalsContact C-N 3.33Å; L303-W328 HydrophobicContact CD1-CB 4.31Å; L303-W328 HydrophobicContact CD1-CG 4.19Å; L303-L338 HydrophobicContact CD1-CD2 4.45Å; L303-L410 HydrophobicContact CD1-CB 4.39Å; L303-L410 HydrophobicContact CD1-CD2 3.4Å; L303-L410 VanDerWaalsContact CD1-CD2 3.4Å; L303-L410 HydrophobicContact CD1-CG 3.77Å; L303-L410 PolarHBondContact N-O 2.9Å
304	N	67.2	Low	74	Confident	132 Å²	132	69.3 Å²	69.3	71%	0.706	35%	0.352	S	S	*	.	S	Bend	trans	-79.9	-18.8	-177.7	-68.8	-13.9	0	0	0	112.9	P427	N304-P427 HydrophobicContact CB-CG 4.48Å
305	R	65.4	Low	74.1	Confident	177 Å²	177	72 Å²	72	67%	0.668	36%	0.361	S	S	*	.			trans	-136.4	130.8	-177.3	-173.8	175.8	173	174.4	-1.8	109.6	L303 D307	L303-R305 VanDerWaalsContact C-N 3.33Å; R305-D307 IonicContact CZ-OD1 3.78Å; R305-D307 IonicContact NE-OD1 3.77Å; R305-D307 PolarHBondContact NE-OD1 2.86Å; R305-D307 IonicContact NE-OD2 3.83Å; R305-D307 IonicContact NH2-OD1 2.64Å; R305-D307 PolarHBondContact NH2-OD1 2.83Å; R305-D307 IonicContact NH2-OD2 3.78Å
306	I	78	Confident	74.7	Confident	8 Å²	8	74.7 Å²	74.7	4%	0.041	38%	0.376	C	S	.	.			trans	-134.8	122.6	172.4	-5.6	176.2	0	0	0	104.6	I326 W328 F408 L410	I306-I326 HydrophobicContact CB-CG2 4.3Å; I306-I326 HydrophobicContact CG2-CG2 3.44Å; I306-I326 VanDerWaalsContact CG2-CG2 3.44Å; I306-W328 HydrophobicContact CG2-CB 3.99Å; I306-W328 HydrophobicContact CG2-CE3 4.08Å; I306-F408 HydrophobicContact CD1-CB 4.1Å; I306-L410 HydrophobicContact CD1-CB 4.18Å; I306-L410 HydrophobicContact CG2-CD2 4.25Å
307	D	83	Confident	74.9	Confident	66 Å²	66	72.9 Å²	72.9	35%	0.353	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	131.8	179.5	-62.1	-53.4	0	0	0	108.7	R305 I326 T327	R305-D307 IonicContact CZ-OD1 3.78Å; R305-D307 IonicContact NE-OD1 3.77Å; R305-D307 PolarHBondContact NE-OD1 2.86Å; R305-D307 IonicContact NE-OD2 3.83Å; R305-D307 IonicContact NH2-OD1 2.64Å; R305-D307 PolarHBondContact NH2-OD1 2.83Å; R305-D307 IonicContact NH2-OD2 3.78Å; D307-I326 WeakPolarHBondContact O-CA 3.31Å; D307-T327 WeakPolarHBondContact CB-OG1 3.15Å; D307-T327 PolarHBondContact N-O 2.86Å; D307-T327 PolarHBondContact O-N 2.72Å; D307-T327 PolarHBondContact O-OG1 2.82Å
308	L	82.7	Confident	75.2	Confident	35 Å²	35	81.9 Å²	81.9	18%	0.183	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124	-173.9	-56	175.4	0	0	0	109.7	V324 I326 F408 T429 I431	L308-V324 HydrophobicContact CB-CG1 4.06Å; L308-V324 HydrophobicContact CD2-CG1 3.96Å; L308-I326 HydrophobicContact CD2-CB 4.26Å; L308-I326 HydrophobicContact CD2-CD1 4.47Å; L308-I326 HydrophobicContact CD2-CG1 3.82Å; L308-I326 HydrophobicContact CD2-CG2 3.97Å; L308-F408 HydrophobicContact CD1-CD2 3.54Å; L308-F408 HydrophobicContact CD1-CE2 3.86Å; L308-F408 HydrophobicContact CD1-CG 4.47Å; L308-F408 HydrophobicContact CD2-CD2 3.9Å; L308-F408 HydrophobicContact CD2-CE2 4.34Å; L308-F408 HydrophobicContact CD2-CG 4.12Å; L308-F408 HydrophobicContact CG-CD2 4.4Å; L308-T429 HydrophobicContact CD1-CG2 3.64Å; L308-T429 HydrophobicContact CG-CG2 4.39Å; L308-I431 HydrophobicContact CD1-CB 4.47Å
309	I	85.2	Confident	75.4	Confident	103 Å²	103	82.8 Å²	82.8	53%	0.528	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	103.7	176.6	-55.4	174.3	0	0	0	108.6	C325	I309-C325 HydrophobicContact CB-CB 4.26Å; I309-C325 PolarHBondContact N-O 3.25Å; I309-C325 PolarHBondContact O-N 3.27Å
310	P	83.2	Confident	75.7	Confident	30 Å²	30	80.5 Å²	80.5	20%	0.195	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	146.2	176.9	31.4	-33.2	0	0	0	111.8	F322 D323 I431 F437 C439	P310-F322 HydrophobicContact CB-CD2 4.11Å; P310-D323 CarbonylContact C-O 3.46Å; P310-D323 VanDerWaalsContact CA-O 3.23Å; P310-D323 WeakPolarHBondContact CA-O 3.05Å; P310-I431 HydrophobicContact CB-CD1 4.36Å; P310-I431 HydrophobicContact CG-CD1 4.08Å; P310-F437 HydrophobicContact CB-CE2 4.2Å; P310-F437 HydrophobicContact CB-CZ 4.46Å; P310-F437 HydrophobicContact CG-CE2 4.3Å; P310-F437 HydrophobicContact CG-CZ 4.2Å; P310-C439 HydrophobicContact CG-CB 3.87Å; P310-C439 VanDerWaalsContact CG-SG 3.53Å
311	S	82.5	Confident	76.2	Confident	55 Å²	55	79.4 Å²	79.4	39%	0.385	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	142.6	174.5	57.5	0	0	0	0	110.6	F322 D323	S311-F322 CarbonylContact O-C 3.53Å; S311-F322 VanDerWaalsContact O-CA 3.23Å; S311-F322 WeakPolarHBondContact O-CA 3.31Å; S311-F322 WeakPolarHBondContact O-CB 3.15Å; S311-D323 PolarHBondContact N-O 3.26Å; S311-D323 PolarHBondContact O-N 2.91Å
312	L	74.2	Confident	76.5	Confident	76 Å²	76	72.8 Å²	72.8	40%	0.398	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	137.2	-171.6	-72	169.8	0	0	0	112.1	L319 F437	L312-L319 HydrophobicContact CB-CD2 4Å; L312-L319 HydrophobicContact CD1-CD1 4.33Å; L312-L319 HydrophobicContact CD1-CD2 3.94Å; L312-L319 HydrophobicContact CD2-CD1 4.05Å; L312-L319 HydrophobicContact CD2-CD2 3.94Å; L312-L319 HydrophobicContact CG-CD2 4.17Å; L312-F437 HydrophobicContact CD1-CB 4.14Å; L312-F437 HydrophobicContact CD1-CD1 4.37Å; L312-F437 HydrophobicContact CD1-CD2 4.04Å; L312-F437 HydrophobicContact CD1-CG 3.92Å; L312-F437 HydrophobicContact CD2-CB 4.23Å; L312-F437 HydrophobicContact CD2-CD2 3.34Å; L312-F437 HydrophobicContact CD2-CE2 3.9Å; L312-F437 HydrophobicContact CD2-CG 3.98Å; L312-F437 HydrophobicContact CG-CD2 3.62Å; L312-F437 HydrophobicContact CG-CE2 3.86Å; L312-F437 HydrophobicContact CG-CG 4.04Å; L312-F437 HydrophobicContact CG-CZ 4.48Å
313	H	73.6	Confident	76.8	Confident	50 Å²	50	72.4 Å²	72.4	23%	0.231	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.7	165.5	-167.7	58.4	0	0	0	109	E315 T320 G321	H313-E315 IonicContact CD2-OE1 3.73Å; H313-E315 IonicContact CE1-OE1 3.82Å; H313-E315 IonicContact NE2-OE1 2.86Å; H313-E315 PolarHBondContact NE2-OE1 3.32Å; H313-T320 PolarHBondContact CD2-OG1 3.22Å; H313-T320 PolarHBondContact O-N 2.78Å; H313-T320 PolarHBondContact O-OG1 2.87Å; H313-G321 PolarHBondContact N-O 2.86Å; H313-G321 PolarHBondContact O-N 3.3Å
314	S	68.8	Low	77.3	Confident	64 Å²	64	71 Å²	71	45%	0.448	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.3	180	-176.3	0	0	0	0	109.5	R318	S314-R318 WeakPolarHBondContact CA-O 3.28Å; S314-R318 PolarHBondContact OG-O 3.11Å
315	E	72.6	Confident	78.4	Confident	94 Å²	94	66.3 Å²	66.3	44%	0.439	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.8	170	-70.7	177.6	-174.7	0	0	108	H313 G317 R318 T320	H313-E315 IonicContact CD2-OE1 3.73Å; H313-E315 IonicContact CE1-OE1 3.82Å; H313-E315 IonicContact NE2-OE1 2.86Å; H313-E315 PolarHBondContact NE2-OE1 3.32Å; E315-G317 PolarHBondContact O-N 2.8Å; E315-R318 PolarHBondContact N-O 2.78Å; E315-R318 PolarHBondContact O-N 2.91Å; E315-T320 HydrophobicContact CB-CG2 3.93Å
316	N	73.3	Confident	79.6	Confident	172 Å²	172	57.9 Å²	57.9	92%	0.92	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	34.3	-179	-57.4	-27.9	0	0	0	114.4	R318	N316-R318 PolarHBondContact O-N 2.71Å
317	G	69.1	Low	80.1	Confident	73 Å²	73	59.4 Å²	59.4	75%	0.753	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	2.4	-179.5	0	0	0	0	0	114.4	E315	E315-G317 PolarHBondContact O-N 2.8Å
318	R	70.7	Confident	80.3	Confident	201 Å²	201	56.9 Å²	56.9	76%	0.758	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.6	171.5	-68.2	-176.2	176	171.2	-0.8	109.2	S314 E315 N316 T320	S314-R318 WeakPolarHBondContact CA-O 3.28Å; S314-R318 PolarHBondContact OG-O 3.11Å; E315-R318 PolarHBondContact N-O 2.78Å; E315-R318 PolarHBondContact O-N 2.91Å; N316-R318 PolarHBondContact O-N 2.71Å; R318-T320 PolarHBondContact O-N 3.45Å
319	L	71.2	Confident	80.4	Confident	65 Å²	65	63.2 Å²	63.2	34%	0.34	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	114.4	170.9	-62.3	178.4	0	0	0	108.4	L312 L402 E435	L312-L319 HydrophobicContact CB-CD2 4Å; L312-L319 HydrophobicContact CD1-CD1 4.33Å; L312-L319 HydrophobicContact CD1-CD2 3.94Å; L312-L319 HydrophobicContact CD2-CD1 4.05Å; L312-L319 HydrophobicContact CD2-CD2 3.94Å; L312-L319 HydrophobicContact CG-CD2 4.17Å; L319-L402 HydrophobicContact CB-CD1 3.84Å; L319-E435 WeakPolarHBondContact CD1-O 3.11Å
320	T	77.1	Confident	80.2	Confident	65 Å²	65	62.9 Å²	62.9	40%	0.399	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-19.3	-177.5	49.2	0	0	0	0	112.2	H313 E315 R318	H313-T320 PolarHBondContact CD2-OG1 3.22Å; H313-T320 PolarHBondContact O-N 2.78Å; H313-T320 PolarHBondContact O-OG1 2.87Å; E315-T320 HydrophobicContact CB-CG2 3.93Å; R318-T320 PolarHBondContact O-N 3.45Å
321	G	84.5	Confident	79.8	Confident	2 Å²	2	62.4 Å²	62.4	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	-169.1	-179.5	0	0	0	0	0	112	H313 L400	H313-G321 PolarHBondContact N-O 2.86Å; H313-G321 PolarHBondContact O-N 3.3Å; G321-L400 CarbonylContact C-O 3.56Å; G321-L400 WeakPolarHBondContact CA-O 3.42Å
322	F	85.4	Confident	79.3	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	148.2	171.3	68.6	-76.4	0	0	0	110.6	P310 S311 V324 L400 N401 L402 Y406 I431 C433	P310-F322 HydrophobicContact CB-CD2 4.11Å; S311-F322 CarbonylContact O-C 3.53Å; S311-F322 VanDerWaalsContact O-CA 3.23Å; S311-F322 WeakPolarHBondContact O-CA 3.31Å; S311-F322 WeakPolarHBondContact O-CB 3.15Å; F322-V324 HydrophobicContact CD2-CG2 3.49Å; F322-V324 VanDerWaalsContact CD2-CG2 3.49Å; F322-V324 HydrophobicContact CE2-CG2 3.27Å; F322-V324 HydrophobicContact CZ-CG2 4.47Å; F322-L400 HydrophobicContact CD1-CB 3.92Å; F322-L400 VanDerWaalsContact CD1-O 3.29Å; F322-L400 WeakPolarHBondContact CD1-O 3.39Å; F322-L400 HydrophobicContact CD2-CB 4.31Å; F322-L400 HydrophobicContact CD2-CD1 4.45Å; F322-L400 HydrophobicContact CE1-CB 3.52Å; F322-L400 HydrophobicContact CE2-CB 3.98Å; F322-L400 HydrophobicContact CE2-CD1 3.76Å; F322-L400 HydrophobicContact CE2-CG 4.46Å; F322-L400 HydrophobicContact CG-CB 4.3Å; F322-L400 HydrophobicContact CZ-CB 3.55Å; F322-L400 HydrophobicContact CZ-CD1 3.86Å; F322-L400 HydrophobicContact CZ-CG 4.36Å; F322-L400 PolarHBondContact N-O 3.21Å; F322-L400 WeakPolarHBondContact O-CB 3.37Å; F322-L400 PolarHBondContact O-N 2.72Å; F322-N401 WeakPolarHBondContact CE1-O 3.11Å; F322-L402 HydrophobicContact CD1-CD2 4.09Å; F322-Y406 HydrophobicContact CE1-CD2 4.43Å; F322-Y406 HydrophobicContact CE1-CE2 4.48Å; F322-Y406 HydrophobicContact CZ-CD2 4Å; F322-Y406 HydrophobicContact CZ-CE2 4.46Å; F322-I431 HydrophobicContact CE2-CG2 4.43Å; F322-C433 HydrophobicContact CD1-CB 4Å; F322-C433 HydrophobicContact CD2-CB 4.35Å; F322-C433 HydrophobicContact CE1-CB 4.05Å; F322-C433 HydrophobicContact CE2-CB 4.37Å; F322-C433 HydrophobicContact CG-CB 4.16Å; F322-C433 HydrophobicContact CZ-CB 4.25Å
323	D	88	Confident	79.1	Confident	23 Å²	23	74.2 Å²	74.2	12%	0.123	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	150.8	168.9	-65.9	-3.8	0	0	0	108.5	P310 S311 T396 L397 Q398 K399	P310-D323 CarbonylContact C-O 3.46Å; P310-D323 VanDerWaalsContact CA-O 3.23Å; P310-D323 WeakPolarHBondContact CA-O 3.05Å; S311-D323 PolarHBondContact N-O 3.26Å; S311-D323 PolarHBondContact O-N 2.91Å; D323-T396 HydrophobicContact CB-CG2 4.22Å; D323-L397 CarbonylContact C-O 3.59Å; D323-L397 VanDerWaalsContact CA-O 3.24Å; D323-L397 WeakPolarHBondContact CA-O 3.11Å; D323-Q398 WeakPolarHBondContact OD1-CA 3.33Å; D323-K399 PolarHBondContact OD1-N 2.8Å
324	V	87.1	Confident	79.4	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	116.9	175.8	179.9	0	0	0	0	109.1	L308 F322 I326 T396 L397 L400 F408	L308-V324 HydrophobicContact CB-CG1 4.06Å; L308-V324 HydrophobicContact CD2-CG1 3.96Å; F322-V324 HydrophobicContact CD2-CG2 3.49Å; F322-V324 VanDerWaalsContact CD2-CG2 3.49Å; F322-V324 HydrophobicContact CE2-CG2 3.27Å; F322-V324 HydrophobicContact CZ-CG2 4.47Å; V324-I326 HydrophobicContact CG1-CG1 3.99Å; V324-T396 WeakPolarHBondContact O-CA 3.3Å; V324-L397 PolarHBondContact N-O 2.81Å; V324-L397 PolarHBondContact O-N 2.86Å; V324-L400 HydrophobicContact CB-CD1 4.32Å; V324-L400 HydrophobicContact CG2-CD1 3.65Å; V324-F408 HydrophobicContact CG1-CZ 4.43Å; V324-F408 HydrophobicContact CG2-CZ 4.45Å
325	C	91	Very high	80.2	Confident	33 Å²	33	73.9 Å²	73.9	22%	0.223	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	114.6	165.5	-175.3	0	0	0	0	108.5	I309	I309-C325 HydrophobicContact CB-CB 4.26Å; I309-C325 PolarHBondContact N-O 3.25Å; I309-C325 PolarHBondContact O-N 3.27Å
326	I	89.8	Confident	80.7	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.4	176.6	-51.2	179.4	0	0	0	107.3	I306 D307 L308 V324 W328 L340 N394 L395 L397 F408	I306-I326 HydrophobicContact CB-CG2 4.3Å; I306-I326 HydrophobicContact CG2-CG2 3.44Å; I306-I326 VanDerWaalsContact CG2-CG2 3.44Å; D307-I326 WeakPolarHBondContact O-CA 3.31Å; L308-I326 HydrophobicContact CD2-CB 4.26Å; L308-I326 HydrophobicContact CD2-CD1 4.47Å; L308-I326 HydrophobicContact CD2-CG1 3.82Å; L308-I326 HydrophobicContact CD2-CG2 3.97Å; V324-I326 HydrophobicContact CG1-CG1 3.99Å; I326-W328 HydrophobicContact CB-CZ3 4.17Å; I326-W328 HydrophobicContact CG2-CE3 3.86Å; I326-W328 HydrophobicContact CG2-CZ3 3.86Å; I326-L340 HydrophobicContact CD1-CD1 4.41Å; I326-L340 HydrophobicContact CD1-CD2 4.25Å; I326-N394 CarbonylContact O-C 3.56Å; I326-N394 WeakPolarHBondContact O-CA 3.42Å; I326-L395 PolarHBondContact N-O 2.83Å; I326-L395 PolarHBondContact O-N 2.88Å; I326-L397 HydrophobicContact CD1-CD1 3.46Å; I326-L397 VanDerWaalsContact CD1-CD1 3.46Å; I326-L397 HydrophobicContact CD1-CG 3.92Å; I326-L397 HydrophobicContact CG1-CD1 4.48Å; I326-F408 HydrophobicContact CD1-CD1 3.54Å; I326-F408 HydrophobicContact CD1-CE1 3.97Å; I326-F408 HydrophobicContact CD1-CG 4.27Å
327	T	89.5	Confident	81.5	Confident	40 Å²	40	65.8 Å²	65.8	25%	0.245	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.3	177.3	55.8	0	0	0	0	110.7	D307 T393 N394	D307-T327 WeakPolarHBondContact CB-OG1 3.15Å; D307-T327 PolarHBondContact N-O 2.86Å; D307-T327 PolarHBondContact O-N 2.72Å; D307-T327 PolarHBondContact O-OG1 2.82Å; T327-T393 WeakPolarHBondContact CA-O 3.46Å; T327-N394 HydrophobicContact CG2-CB 3.86Å
328	W	87.6	Confident	82.4	Confident	14 Å²	14	62.3 Å²	62.3	5%	0.053	29%	0.293	C	S	.	.			trans	-148.2	155.4	178.8	56.6	88.4	0	0	0	111.7	L303 I306 I326 L338 L388 L392 T393 L395 L410	L303-W328 HydrophobicContact CD1-CB 4.31Å; L303-W328 HydrophobicContact CD1-CG 4.19Å; I306-W328 HydrophobicContact CG2-CB 3.99Å; I306-W328 HydrophobicContact CG2-CE3 4.08Å; I326-W328 HydrophobicContact CB-CZ3 4.17Å; I326-W328 HydrophobicContact CG2-CE3 3.86Å; I326-W328 HydrophobicContact CG2-CZ3 3.86Å; W328-L338 HydrophobicContact CZ2-CD1 4Å; W328-L388 HydrophobicContact CH2-CD1 3.86Å; W328-L388 HydrophobicContact CZ2-CD1 4.14Å; W328-L392 VanDerWaalsContact CE2-O 3.27Å; W328-L392 HydrophobicContact CH2-CD2 4.2Å; W328-L392 HydrophobicContact CH2-CG 4.37Å; W328-L392 HydrophobicContact CZ2-CB 4.3Å; W328-L392 HydrophobicContact CZ2-CD2 4.33Å; W328-L392 HydrophobicContact CZ2-CG 4.2Å; W328-L392 WeakPolarHBondContact CZ2-O 3.04Å; W328-L392 PolarHBondContact NE1-O 3.38Å; W328-T393 PolarHBondContact N-O 3.16Å; W328-T393 VanDerWaalsContact N-O 3.1Å; W328-L395 HydrophobicContact CH2-CB 4.07Å; W328-L395 HydrophobicContact CZ3-CB 4.26Å; W328-L410 HydrophobicContact CB-CD2 4.12Å; W328-L410 HydrophobicContact CD2-CD2 3.28Å; W328-L410 HydrophobicContact CE3-CD2 3.66Å; W328-L410 HydrophobicContact CG-CD2 3.49Å; W328-L410 VanDerWaalsContact CG-CD2 3.49Å; W328-L410 HydrophobicContact CZ2-CD2 4.23Å; W328-L410 HydrophobicContact CZ3-CD2 4.28Å
329	E	84.2	Confident	83.4	Confident	168 Å²	168	53.1 Å²	53.1	79%	0.785	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-73.2	136	170.3	-164.8	-178.5	174.4	0	0	109.7
330	Q	81.3	Confident	84.3	Confident	95 Å²	95	50 Å²	50	44%	0.444	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-60.3	136.9	176.1	-79.1	-156.2	-4.7	0	0	110.3	R332 D391 T393	Q330-R332 PolarHBondContact O-N 2.83Å; Q330-D391 PolarHBondContact NE2-O 2.76Å; Q330-T393 HydrophobicContact CG-CG2 3.53Å
331	P	74.9	Confident	85	Confident	20 Å²	20	47.9 Å²	47.9	13%	0.13	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-56.7	140.7	170.3	-15.4	26.4	0	0	0	109.4	R333 L338 A412 Y414	P331-R333 PolarHBondContact O-N 2.84Å; P331-L338 HydrophobicContact CG-CD2 4.28Å; P331-A412 HydrophobicContact CB-CB 4.34Å; P331-A412 HydrophobicContact CG-CB 3.78Å; P331-Y414 WeakPolarHBondContact CB-OH 3.24Å
332	R	71.7	Confident	85.3	Confident	250 Å²	250	49.4 Å²	49.4	94%	0.943	23%	0.232	S	C	*	.	S	Bend	trans	-51.4	-17.4	177.6	-68.5	-172.7	-179.6	178.2	-0.7	114.7	Q330	Q330-R332 PolarHBondContact O-N 2.83Å
333	R	70.4	Confident	85.6	Confident	130 Å²	130	49.5 Å²	49.5	49%	0.491	23%	0.233	S	C	.	.	S	Bend	trans	-127.3	137.5	177.6	-62.6	-174.6	-179.8	-170.7	-0.8	108.7	P331 P335 Y414	P331-R333 PolarHBondContact O-N 2.84Å; R333-P335 VanDerWaalsContact O-CD 3.32Å; R333-P335 WeakPolarHBondContact O-CD 3.29Å; R333-Y414 HydrophobicContact CB-CE1 4.06Å; R333-Y414 PolarHBondContact O-OH 2.91Å
334	C	79.7	Confident	85.7	Confident	99 Å²	99	49.3 Å²	49.3	67%	0.669	23%	0.233	S	C	*	.			trans	-66.6	119.3	178.9	-165.8	0	0	0	0	110.3
335	P	84.7	Confident	85.6	Confident	8 Å²	8	49.6 Å²	49.6	5%	0.052	23%	0.234	C	C	.	.			trans	-75.1	169.4	173.9	29.2	-30.6	0	0	0	112.3	R333 L338 P390 A412 V413 Y414	R333-P335 VanDerWaalsContact O-CD 3.32Å; R333-P335 WeakPolarHBondContact O-CD 3.29Å; P335-L338 HydrophobicContact CG-CD2 4.11Å; P335-L338 HydrophobicContact CG-CG 4.08Å; P335-P390 HydrophobicContact CG-CB 3.9Å; P335-P390 WeakPolarHBondContact O-CB 3.39Å; P335-A412 HydrophobicContact CB-CB 3.89Å; P335-A412 HydrophobicContact CG-CB 4.07Å; P335-V413 WeakPolarHBondContact CB-O 3.41Å; P335-Y414 HydrophobicContact CB-CD1 4.17Å; P335-Y414 HydrophobicContact CB-CE1 3.89Å
336	I	84.2	Confident	85.2	Confident	78 Å²	78	51.3 Å²	51.3	40%	0.4	24%	0.239	S	C	.	.	S	Bend	trans	-67.3	-43.6	166.7	-59.8	179.2	0	0	0	109.2	V413 Y414 L416	I336-V413 WeakPolarHBondContact CB-O 3.31Å; I336-V413 PolarHBondContact N-O 2.86Å; I336-Y414 WeakPolarHBondContact CD1-O 3.33Å; I336-L416 HydrophobicContact CD1-CD2 4.31Å; I336-L416 HydrophobicContact CD1-CG 3.95Å; I336-L416 HydrophobicContact CG2-CD2 4.08Å
337	Y	88.9	Confident	84.4	Confident	17 Å²	17	54.1 Å²	54.1	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	159.9	173	69	-88.1	0	0	0	110.6	H339 R387 L388 V413 L416 F418 K419	Y337-H339 HydrophobicContact CD2-CB 4.3Å; Y337-H339 HydrophobicContact CE2-CB 3.77Å; Y337-H339 AromaticContact CE2-ND1 3.67Å; Y337-R387 HydrophobicContact CD2-CB 4.06Å; Y337-R387 HydrophobicContact CD2-CG 3.77Å; Y337-R387 HydrophobicContact CE2-CG 3.74Å; Y337-L388 WeakPolarHBondContact CB-O 3.19Å; Y337-V413 HydrophobicContact CD1-CB 4.06Å; Y337-V413 HydrophobicContact CD1-CG1 4.26Å; Y337-V413 HydrophobicContact CD2-CB 4.35Å; Y337-V413 HydrophobicContact CD2-CG2 4.32Å; Y337-V413 HydrophobicContact CE1-CB 3.69Å; Y337-V413 HydrophobicContact CE1-CG1 3.54Å; Y337-V413 HydrophobicContact CE1-CG2 4.22Å; Y337-V413 HydrophobicContact CE2-CB 4Å; Y337-V413 HydrophobicContact CE2-CG2 3.7Å; Y337-V413 HydrophobicContact CG-CB 4.37Å; Y337-V413 PolarHBondContact N-O 2.97Å; Y337-V413 PolarHBondContact O-N 2.8Å; Y337-L416 HydrophobicContact CE1-CD2 4.47Å; Y337-F418 PolarHBondContact OH-O 3.28Å; Y337-K419 PolarHBondContact OH-O 2.93Å
338	L	89.2	Confident	83.2	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.9	169.1	-73.7	166.7	0	0	0	109.1	L303 W328 P331 P335 R387 L388 L392 L410 C411 A412	L303-L338 HydrophobicContact CD1-CD2 4.45Å; W328-L338 HydrophobicContact CZ2-CD1 4Å; P331-L338 HydrophobicContact CG-CD2 4.28Å; P335-L338 HydrophobicContact CG-CD2 4.11Å; P335-L338 HydrophobicContact CG-CG 4.08Å; L338-R387 CarbonylContact O-C 3.56Å; L338-R387 WeakPolarHBondContact O-CA 3.33Å; L338-L388 HydrophobicContact CB-CB 3.95Å; L338-L388 PolarHBondContact N-O 3.14Å; L338-L388 PolarHBondContact O-N 3.46Å; L338-L392 WeakPolarHBondContact CD1-O 3.45Å; L338-L410 HydrophobicContact CB-CD1 4.19Å; L338-C411 CarbonylContact C-O 3.47Å; L338-A412 HydrophobicContact CD2-CB 3.99Å
339	H	90.5	Very high	81.3	Confident	8 Å²	8	60.4 Å²	60.4	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	112.2	177.2	-158	134.7	0	0	0	109	Y337 H385 L410 C411 V413 P421 W423	Y337-H339 HydrophobicContact CD2-CB 4.3Å; Y337-H339 HydrophobicContact CE2-CB 3.77Å; Y337-H339 AromaticContact CE2-ND1 3.67Å; H339-H385 AromaticContact NE2-CG 3.87Å; H339-H385 AromaticContact NE2-ND1 3.38Å; H339-H385 PolarHBondContact NE2-ND1 2.76Å; H339-L410 WeakPolarHBondContact O-CA 3.22Å; H339-C411 PolarHBondContact N-O 2.94Å; H339-C411 PolarHBondContact O-N 3.43Å; H339-V413 HydrophobicContact CB-CG2 4.11Å; H339-P421 HydrophobicContact CB-CG 3.95Å; H339-P421 WeakPolarHBondContact ND1-CD 3.19Å; H339-W423 HydrophobicContact CB-CH2 4.34Å; H339-W423 HydrophobicContact CB-CZ2 4.43Å; H339-W423 AromaticContact CD2-CZ2 3.59Å; H339-W423 AromaticContact CG-CZ2 3.96Å; H339-W423 WeakPolarHBondContact O-CH2 3.35Å
340	L	91.1	Very high	79.5	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.6	173.5	-177.3	70.1	0	0	0	110.3	I326 W342 H385 K386 L388 L395 L410	I326-L340 HydrophobicContact CD1-CD1 4.41Å; I326-L340 HydrophobicContact CD1-CD2 4.25Å; L340-W342 HydrophobicContact CD2-CE3 3.79Å; L340-W342 HydrophobicContact CD2-CZ3 3.91Å; L340-W342 HydrophobicContact CG-CE3 3.87Å; L340-W342 HydrophobicContact CG-CZ3 4.22Å; L340-H385 WeakPolarHBondContact O-CA 3.3Å; L340-K386 PolarHBondContact N-O 2.78Å; L340-K386 PolarHBondContact O-N 2.9Å; L340-L388 HydrophobicContact CB-CD1 3.82Å; L340-L388 HydrophobicContact CB-CG 4.4Å; L340-L388 HydrophobicContact CD2-CD1 4.33Å; L340-L395 HydrophobicContact CD2-CD2 3.46Å; L340-L395 VanDerWaalsContact CD2-CD2 3.46Å; L340-L410 HydrophobicContact CB-CD1 3.94Å; L340-L410 HydrophobicContact CD1-CB 4.27Å; L340-L410 HydrophobicContact CD1-CD1 4.05Å
341	R	91.1	Very high	77.5	Confident	20 Å²	20	55.4 Å²	55.4	8%	0.075	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.3	169.4	-178.3	-170.6	-173.9	-164.8	3.1	109.2	I378 D380 V384 Q409 W423	R341-I378 HydrophobicContact CG-CD1 3.95Å; R341-I378 PolarHBondContact NH2-O 3.07Å; R341-D380 IonicContact NH2-OD1 2.93Å; R341-D380 PolarHBondContact NH2-OD1 2.83Å; R341-V384 VanDerWaalsContact CA-O 3.29Å; R341-V384 WeakPolarHBondContact CA-O 3.36Å; R341-Q409 HydrophobicContact CB-CB 4.43Å; R341-Q409 PolarHBondContact N-O 2.88Å; R341-Q409 PolarHBondContact O-N 2.8Å; R341-W423 HydrophobicContact CB-CD2 4.21Å; R341-W423 HydrophobicContact CB-CE3 4.29Å; R341-W423 HydrophobicContact CB-CH2 3.83Å; R341-W423 HydrophobicContact CB-CZ2 3.75Å; R341-W423 HydrophobicContact CB-CZ3 4.1Å; R341-W423 VanDerWaalsContact NH1-CB 3.28Å
342	W	91.6	Very high	75.5	Confident	34 Å²	34	59.6 Å²	59.6	13%	0.129	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	162.5	171.9	74.4	100.5	0	0	0	112	L340 A383 V384 K386 L397 G407 F408	L340-W342 HydrophobicContact CD2-CE3 3.79Å; L340-W342 HydrophobicContact CD2-CZ3 3.91Å; L340-W342 HydrophobicContact CG-CE3 3.87Å; L340-W342 HydrophobicContact CG-CZ3 4.22Å; W342-A383 CarbonylContact O-C 3.55Å; W342-A383 WeakPolarHBondContact O-CA 3.03Å; W342-V384 HydrophobicContact CD2-CB 3.9Å; W342-V384 HydrophobicContact CD2-CG1 4.38Å; W342-V384 HydrophobicContact CE3-CB 4.13Å; W342-V384 HydrophobicContact CE3-CG1 4.34Å; W342-V384 HydrophobicContact CH2-CB 3.93Å; W342-V384 HydrophobicContact CH2-CG1 3.31Å; W342-V384 HydrophobicContact CZ2-CB 3.65Å; W342-V384 HydrophobicContact CZ2-CG1 3.32Å; W342-V384 HydrophobicContact CZ2-CG2 4.31Å; W342-V384 HydrophobicContact CZ3-CB 4.15Å; W342-V384 HydrophobicContact CZ3-CG1 3.85Å; W342-V384 PolarHBondContact N-O 2.85Å; W342-V384 PolarHBondContact O-N 2.76Å; W342-K386 HydrophobicContact CH2-CB 4.03Å; W342-K386 HydrophobicContact CH2-CD 4.43Å; W342-K386 HydrophobicContact CZ3-CB 3.68Å; W342-L397 HydrophobicContact CB-CD1 4.42Å; W342-L397 HydrophobicContact CD2-CD1 3.76Å; W342-L397 HydrophobicContact CD2-CD2 4.49Å; W342-L397 HydrophobicContact CE3-CD1 4.39Å; W342-L397 HydrophobicContact CG-CD1 3.77Å; W342-L397 HydrophobicContact CH2-CD2 4.1Å; W342-L397 HydrophobicContact CZ2-CD1 4.45Å; W342-L397 HydrophobicContact CZ2-CD2 3.85Å; W342-G407 WeakPolarHBondContact CA-O 3.5Å; W342-G407 WeakPolarHBondContact CB-O 3.07Å; W342-F408 HydrophobicContact CB-CD1 3.42Å; W342-F408 VanDerWaalsContact CB-CD1 3.42Å; W342-F408 HydrophobicContact CB-CE1 3.75Å; W342-F408 HydrophobicContact CB-CG 4.32Å; W342-F408 HydrophobicContact CG-CD1 4.25Å; W342-F408 HydrophobicContact CG-CE1 4.21Å
343	G	91.6	Very high	73.4	Confident	2 Å²	2	49.7 Å²	49.7	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.8	-177.3	176.1	0	0	0	0	0	112.2	D382 Y406 G407	G343-D382 WeakPolarHBondContact CA-O 3.26Å; G343-Y406 CarbonylContact O-C 3.49Å; G343-Y406 VanDerWaalsContact O-CA 3.31Å; G343-Y406 WeakPolarHBondContact O-CA 2.92Å; G343-G407 PolarHBondContact N-O 2.98Å; G343-G407 VanDerWaalsContact N-O 3.17Å; G343-G407 PolarHBondContact O-N 2.88Å
344	V	89.9	Confident	71.3	Confident	19 Å²	19	49.8 Å²	49.8	12%	0.115	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	136.8	177	-179.9	0	0	0	0	109.8	I378 K379 D382 P405 Y406	V344-I378 WeakPolarHBondContact O-CA 3.33Å; V344-K379 HydrophobicContact CG1-CD 4.36Å; V344-K379 PolarHBondContact O-N 3.26Å; V344-D382 HydrophobicContact CB-CB 4.08Å; V344-D382 HydrophobicContact CG2-CB 4.22Å; V344-P405 CarbonylContact C-O 3.58Å; V344-P405 VanDerWaalsContact CA-O 3.3Å; V344-P405 WeakPolarHBondContact CA-O 3.11Å; V344-Y406 HydrophobicContact CG2-CD1 4.5Å; V344-Y406 HydrophobicContact CG2-CE1 3.99Å
345	V	85.5	Confident	68.8	Low	5 Å²	5	55.1 Å²	55.1	3%	0.03	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	149.9	178.9	-61.2	0	0	0	0	112.7	W376 R377 I378 P405 G407 L428 P430	V345-W376 HydrophobicContact CB-CE3 3.96Å; V345-W376 HydrophobicContact CG2-CD2 4.25Å; V345-W376 HydrophobicContact CG2-CE3 3.54Å; V345-W376 HydrophobicContact CG2-CZ3 4Å; V345-R377 CarbonylContact C-O 3.57Å; V345-R377 WeakPolarHBondContact CA-O 3.36Å; V345-R377 WeakPolarHBondContact CB-O 3.24Å; V345-I378 HydrophobicContact CG1-CG1 4.03Å; V345-P405 HydrophobicContact CG2-CB 3.55Å; V345-P405 HydrophobicContact CG2-CG 3.9Å; V345-P405 PolarHBondContact N-O 3.22Å; V345-G407 VanDerWaalsContact CG1-CA 3.47Å; V345-L428 HydrophobicContact CG1-CD1 4.48Å; V345-L428 HydrophobicContact CG1-CD2 3.82Å; V345-L428 HydrophobicContact CG1-CG 4.49Å; V345-P430 HydrophobicContact CG2-CB 4.11Å
346	E	82.2	Confident	66.1	Low	70 Å²	70	60.7 Å²	60.7	33%	0.327	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149	171.1	64.1	-171.2	176.4	0	0	110.8	V348 R377 K379	E346-V348 HydrophobicContact CG-CG2 4.38Å; E346-V348 PolarHBondContact O-N 2.83Å; E346-R377 PolarHBondContact N-O 3.5Å; E346-R377 PolarHBondContact O-N 2.76Å; E346-K379 HydrophobicContact CB-CG 4.11Å; E346-K379 HydrophobicContact CG-CG 3.93Å; E346-K379 VanDerWaalsContact OE2-CE 3.26Å; E346-K379 WeakPolarHBondContact OE2-CE 3.3Å
347	P	72.3	Confident	63.4	Low	58 Å²	58	64.3 Å²	64.3	38%	0.377	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	118.1	171.2	30.5	-31.2	0	0	0	108.8	Y374 W376 V444	P347-Y374 HydrophobicContact CB-CD1 3.99Å; P347-Y374 HydrophobicContact CB-CG 4.37Å; P347-W376 HydrophobicContact CB-CE3 4.49Å; P347-W376 HydrophobicContact CB-CH2 4.39Å; P347-W376 HydrophobicContact CB-CZ3 4.17Å; P347-W376 HydrophobicContact CG-CZ3 4.38Å; P347-V444 HydrophobicContact CB-CG2 4.28Å
348	V	64.8	Low	60.5	Low	52 Å²	52	70.2 Å²	70.2	32%	0.315	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.6	169.4	-178	0	0	0	0	107.1	E346 L350 Y374 R375 R377	E346-V348 HydrophobicContact CG-CG2 4.38Å; E346-V348 PolarHBondContact O-N 2.83Å; V348-L350 PolarHBondContact O-N 3.38Å; V348-L350 VanDerWaalsContact O-N 3.15Å; V348-Y374 WeakPolarHBondContact O-CA 3.34Å; V348-R375 WeakPolarHBondContact CA-O 3.43Å; V348-R375 WeakPolarHBondContact CB-O 3.47Å; V348-R375 PolarHBondContact N-O 2.96Å; V348-R375 PolarHBondContact O-N 2.93Å; V348-R377 HydrophobicContact CG2-CB 3.52Å; V348-R377 HydrophobicContact CG2-CG 4.43Å
349	R	48	Very low	57.8	Low	135 Å²	135	78.4 Å²	78.4	51%	0.509	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	118.7	170.5	-168.4	168.4	170.4	169.4	-4.6	106.9	P351 H372 Y374	R349-P351 WeakPolarHBondContact O-CD 3.32Å; R349-H372 PolarHBondContact NH2-CE1 3.35Å; R349-H372 VanDerWaalsContact NH2-CE1 3.28Å; R349-H372 PolarHBondContact NH2-ND1 2.79Å; R349-Y374 VanDerWaalsContact CA-CD1 3.48Å; R349-Y374 HydrophobicContact CB-CD1 4.09Å; R349-Y374 HydrophobicContact CB-CE1 3.64Å; R349-Y374 HydrophobicContact CG-CE1 3.89Å
350	L	46	Very low	54.9	Low	55 Å²	55	87 Å²	87	29%	0.288	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-62.2	128.3	167.5	-71.6	170.6	0	0	0	106.1	V348 T352 V373 R375	V348-L350 PolarHBondContact O-N 3.38Å; V348-L350 VanDerWaalsContact O-N 3.15Å; L350-T352 PolarHBondContact O-N 2.93Å; L350-V373 VanDerWaalsContact CB-O 3.26Å; L350-V373 WeakPolarHBondContact CB-O 3.34Å; L350-V373 HydrophobicContact CD1-CB 3.96Å; L350-V373 HydrophobicContact CD1-CG1 3.61Å; L350-V373 WeakPolarHBondContact CG-O 3.24Å; L350-V373 PolarHBondContact N-O 3.15Å; L350-V373 VanDerWaalsContact N-O 3.1Å; L350-R375 HydrophobicContact CD1-CG 4.09Å; L350-R375 HydrophobicContact CD2-CB 4.46Å; L350-R375 HydrophobicContact CD2-CG 3.97Å; L350-R375 HydrophobicContact CG-CG 4.14Å
351	P	38.6	Very low	51.9	Low	102 Å²	102	93 Å²	93	66%	0.662	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-54.6	120.4	170.2	21.9	-29.9	0	0	0	106.5	R349 A353	R349-P351 WeakPolarHBondContact O-CD 3.32Å; P351-A353 VanDerWaalsContact C-N 3.32Å; P351-A353 PolarHBondContact O-N 3.17Å
352	T	33.3	Very low	48.8	Very low	109 Å²	109	102.7 Å²	102.7	67%	0.669	52%	0.517	S	S	*	.	S	Bend	trans	-58.4	102.8	165.7	34.9	0	0	0	0	106	L350	L350-T352 PolarHBondContact O-N 2.93Å
353	A	27.1	Very low	45.7	Very low	42 Å²	42	107.7 Å²	107.7	35%	0.347	55%	0.552	S	S	.	*			trans	56.9	92.3	168.1	0	0	0	0	0	119.6	P351 Y355	P351-A353 VanDerWaalsContact C-N 3.32Å; P351-A353 PolarHBondContact O-N 3.17Å; A353-Y355 HydrophobicContact CB-CD2 3.9Å
354	T	26.5	Very low	42.6	Very low	132 Å²	132	111.8 Å²	111.8	81%	0.81	59%	0.585	S	S	*	*				-103.4	75.3	115	34.1	0	0	0	0	106.5	T356	T354-T356 PolarHBondContact O-N 3.43Å; T354-T356 VanDerWaalsContact O-N 3.14Å
355	Y	28.5	Very low	39.4	Very low	210 Å²	210	120.9 Å²	120.9	82%	0.824	62%	0.619	S	S	*	*			trans	-73.3	95.6	174.4	-109.8	-92.7	0	0	0	107.4	A353	A353-Y355 HydrophobicContact CB-CD2 3.9Å
356	T	27.2	Very low	36.5	Very low	125 Å²	125	130.9 Å²	130.9	77%	0.767	66%	0.656	S	S	*	*	S	Bend	trans	-148.6	-22.5	164.1	10.4	0	0	0	0	116.7	T354	T354-T356 PolarHBondContact O-N 3.43Å; T354-T356 VanDerWaalsContact O-N 3.14Å
357	D	27.5	Very low	33.8	Very low	154 Å²	154	130.5 Å²	130.5	82%	0.824	67%	0.665	S	S	*	*	S	Bend	trans	-122.4	-1.8	-162	-88.5	-12.4	0	0	0	120.6
358	M	27.5	Very low	31.5	Very low	142 Å²	142	134.6 Å²	134.6	70%	0.7	69%	0.692	S	S	*	*	S	Bend	trans	-144.9	15.9	-165.7	-77.3	-158.6	71.9	0	0	121.9
359	F	32.4	Very low	29.7	Very low	173 Å²	173	135.7 Å²	135.7	76%	0.759	71%	0.713	S	S	*	*			trans	-137.8	77.2	171.7	-81.9	-85.3	0	0	0	113.3
360	Q	29.5	Very low	28.7	Very low	187 Å²	187	135.7 Å²	135.7	87%	0.874	72%	0.723	S	S	*	*			trans	-71.5	141.5	141.8	-74.9	176	-14.8	0	0	107.5
361	D	28	Very low	27.9	Very low	126 Å²	126	137.2 Å²	137.2	67%	0.674	74%	0.738	S	S	*	*	S	Bend	trans	82.7	94.6	178	-73.3	-35.7	0	0	0	120
362	R	26.2	Very low	27.7	Very low	224 Å²	224	136.1 Å²	136.1	85%	0.845	72%	0.724	S	S	*	*			trans	77.7	127.5	132.8	-56.7	-177.4	-172	-161.3	-1.3	119.4
363	V	27.2	Very low	28.1	Very low	140 Å²	140	135.6 Å²	135.6	85%	0.848	72%	0.72	S	S	*	*			trans	111	94.4	148.9	-166	0	0	0	0	117.2
364	A	26.7	Very low	29.2	Very low	87 Å²	87	136 Å²	136	72%	0.719	71%	0.713	S	S	*	*			trans	68.8	93.4	130.4	0	0	0	0	0	121.8
365	Y	23.2	Very low	31	Very low	210 Å²	210	136 Å²	136	82%	0.824	70%	0.699	S	S	*	*				10.6	123.6	114.9	-112	-84.2	0	0	0	118.6
366	R	24.7	Very low	33	Very low	215 Å²	215	128.7 Å²	128.7	81%	0.811	67%	0.669	S	S	*	*				163.5	118.1	106.3	-89	173.9	-167.5	-172.5	3.7	112.2
367	A	24.5	Very low	35.6	Very low	63 Å²	63	128.2 Å²	128.2	52%	0.521	65%	0.653	S	S	.	*			trans	140.7	129.6	135.9	0	0	0	0	0	112.7	G369 L370	A367-G369 PolarHBondContact O-N 2.84Å; A367-L370 WeakPolarHBondContact O-CD1 3.39Å; A367-L370 WeakPolarHBondContact O-CG 3.35Å
368	P	24.9	Very low	38.3	Very low	144 Å²	144	120.9 Å²	120.9	94%	0.935	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	111.2	173	30	-29	0	0	0	108.4
369	G	26.5	Very low	41	Very low	75 Å²	75	117.4 Å²	117.4	77%	0.773	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	144.7	1.7	-169	0	0	0	0	0	114.4	A367 S371	A367-G369 PolarHBondContact O-N 2.84Å; G369-S371 PolarHBondContact O-N 2.76Å
370	L	27.7	Very low	43.3	Very low	135 Å²	135	113.9 Å²	113.9	71%	0.707	58%	0.584	S	S	*	*			trans	-70.2	94	-173.2	-75.7	160.3	0	0	0	112.6	A367	A367-L370 WeakPolarHBondContact O-CD1 3.39Å; A367-L370 WeakPolarHBondContact O-CG 3.35Å
371	S	27.3	Very low	45.8	Very low	87 Å²	87	109.9 Å²	109.9	61%	0.608	58%	0.577	S	S	*	*			trans	-38.8	131.5	158	48.4	0	0	0	0	111.7	G369 V373	G369-S371 PolarHBondContact O-N 2.76Å; S371-V373 PolarHBondContact O-N 2.72Å
372	H	35.1	Very low	48.5	Very low	78 Å²	78	107.1 Å²	107.1	36%	0.361	56%	0.563	S	S	.	*			trans	-8	110.5	166	-49.6	-60.7	0	0	0	115.4	R349 Y374	R349-H372 PolarHBondContact NH2-CE1 3.35Å; R349-H372 VanDerWaalsContact NH2-CE1 3.28Å; R349-H372 PolarHBondContact NH2-ND1 2.79Å; H372-Y374 HydrophobicContact CB-CD2 4.07Å; H372-Y374 HydrophobicContact CB-CE1 4.35Å; H372-Y374 HydrophobicContact CB-CE2 3.17Å; H372-Y374 WeakPolarHBondContact CB-OH 3.28Å; H372-Y374 PolarHBondContact CD2-OH 2.89Å; H372-Y374 AromaticContact CG-CZ 3.95Å; H372-Y374 VanDerWaalsContact CG-OH 3.25Å; H372-Y374 WeakPolarHBondContact O-CD2 3.37Å; H372-Y374 WeakPolarHBondContact O-CE2 3.41Å; H372-Y374 PolarHBondContact O-N 2.81Å
373	V	41.7	Very low	51.4	Low	99 Å²	99	97.6 Å²	97.6	60%	0.6	53%	0.531	S	S	*	.			trans	-73.4	115.7	171.3	-169.3	0	0	0	0	107.9	L350 S371	L350-V373 VanDerWaalsContact CB-O 3.26Å; L350-V373 WeakPolarHBondContact CB-O 3.34Å; L350-V373 HydrophobicContact CD1-CB 3.96Å; L350-V373 HydrophobicContact CD1-CG1 3.61Å; L350-V373 WeakPolarHBondContact CG-O 3.24Å; L350-V373 PolarHBondContact N-O 3.15Å; L350-V373 VanDerWaalsContact N-O 3.1Å; S371-V373 PolarHBondContact O-N 2.72Å
374	Y	50.4	Low	54.4	Low	49 Å²	49	94.1 Å²	94.1	19%	0.192	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	149.1	175.1	-65.2	-84.4	0	0	0	110.6	P347 V348 R349 H372 W446	P347-Y374 HydrophobicContact CB-CD1 3.99Å; P347-Y374 HydrophobicContact CB-CG 4.37Å; V348-Y374 WeakPolarHBondContact O-CA 3.34Å; R349-Y374 VanDerWaalsContact CA-CD1 3.48Å; R349-Y374 HydrophobicContact CB-CD1 4.09Å; R349-Y374 HydrophobicContact CB-CE1 3.64Å; R349-Y374 HydrophobicContact CG-CE1 3.89Å; H372-Y374 HydrophobicContact CB-CD2 4.07Å; H372-Y374 HydrophobicContact CB-CE1 4.35Å; H372-Y374 HydrophobicContact CB-CE2 3.17Å; H372-Y374 WeakPolarHBondContact CB-OH 3.28Å; H372-Y374 PolarHBondContact CD2-OH 2.89Å; H372-Y374 AromaticContact CG-CZ 3.95Å; H372-Y374 VanDerWaalsContact CG-OH 3.25Å; H372-Y374 WeakPolarHBondContact O-CD2 3.37Å; H372-Y374 WeakPolarHBondContact O-CE2 3.41Å; H372-Y374 PolarHBondContact O-N 2.81Å; Y374-W446 AromaticContact CD2-CZ2 3.99Å; Y374-W446 HydrophobicContact CD2-CZ2 3.99Å; Y374-W446 AromaticContact CE1-CH2 3.86Å; Y374-W446 HydrophobicContact CE1-CH2 3.86Å; Y374-W446 AromaticContact CE1-CZ2 3.85Å; Y374-W446 HydrophobicContact CE1-CZ2 3.85Å; Y374-W446 AromaticContact CE2-CE2 3.75Å; Y374-W446 AromaticContact CE2-CH2 3.84Å; Y374-W446 HydrophobicContact CE2-CH2 3.84Å; Y374-W446 AromaticContact CE2-CZ2 3.05Å; Y374-W446 HydrophobicContact CE2-CZ2 3.05Å; Y374-W446 AromaticContact CZ-CH2 3.26Å; Y374-W446 AromaticContact CZ-CZ2 3.02Å; Y374-W446 WeakPolarHBondContact OH-CH2 3.43Å; Y374-W446 WeakPolarHBondContact OH-CZ2 3.48Å
375	R	64	Low	57.4	Low	134 Å²	134	93.3 Å²	93.3	51%	0.506	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.5	157.2	-76.8	-172.5	-176	175.5	0.4	108.9	V348 L350	V348-R375 WeakPolarHBondContact CA-O 3.43Å; V348-R375 WeakPolarHBondContact CB-O 3.47Å; V348-R375 PolarHBondContact N-O 2.96Å; V348-R375 PolarHBondContact O-N 2.93Å; L350-R375 HydrophobicContact CD1-CG 4.09Å; L350-R375 HydrophobicContact CD2-CB 4.46Å; L350-R375 HydrophobicContact CD2-CG 3.97Å; L350-R375 HydrophobicContact CG-CG 4.14Å
376	W	70.3	Confident	60.7	Low	56 Å²	56	87.7 Å²	87.7	21%	0.212	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	142.1	168.1	-65.7	103.7	0	0	0	109.9	V345 P347 L428 P430 P442 V444	V345-W376 HydrophobicContact CB-CE3 3.96Å; V345-W376 HydrophobicContact CG2-CD2 4.25Å; V345-W376 HydrophobicContact CG2-CE3 3.54Å; V345-W376 HydrophobicContact CG2-CZ3 4Å; P347-W376 HydrophobicContact CB-CE3 4.49Å; P347-W376 HydrophobicContact CB-CH2 4.39Å; P347-W376 HydrophobicContact CB-CZ3 4.17Å; P347-W376 HydrophobicContact CG-CZ3 4.38Å; W376-L428 HydrophobicContact CB-CD2 3.49Å; W376-L428 VanDerWaalsContact CB-CD2 3.49Å; W376-L428 VanDerWaalsContact O-CD2 3.22Å; W376-L428 WeakPolarHBondContact O-CD2 3.38Å; W376-P430 HydrophobicContact CG-CB 4.4Å; W376-P430 HydrophobicContact CG-CG 4.06Å; W376-P442 HydrophobicContact CD2-CG 4.3Å; W376-P442 HydrophobicContact CE3-CG 4.48Å; W376-P442 HydrophobicContact CH2-CB 3.71Å; W376-P442 HydrophobicContact CH2-CG 3.81Å; W376-P442 HydrophobicContact CZ2-CB 3.74Å; W376-P442 HydrophobicContact CZ2-CG 3.58Å; W376-P442 VanDerWaalsContact CZ2-O 3.25Å; W376-P442 WeakPolarHBondContact CZ2-O 3.32Å; W376-P442 HydrophobicContact CZ3-CB 4.43Å; W376-P442 HydrophobicContact CZ3-CG 4.24Å; W376-V444 HydrophobicContact CH2-CG2 4.09Å; W376-V444 HydrophobicContact CZ2-CG2 3.91Å
377	R	82.1	Confident	63.8	Low	114 Å²	114	84.7 Å²	84.7	43%	0.43	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.3	170.2	173.2	-177.1	176.8	173.5	1.8	108.9	V345 E346 V348 K379 D380	V345-R377 CarbonylContact C-O 3.57Å; V345-R377 WeakPolarHBondContact CA-O 3.36Å; V345-R377 WeakPolarHBondContact CB-O 3.24Å; E346-R377 PolarHBondContact N-O 3.5Å; E346-R377 PolarHBondContact O-N 2.76Å; V348-R377 HydrophobicContact CG2-CB 3.52Å; V348-R377 HydrophobicContact CG2-CG 4.43Å; R377-K379 PolarHBondContact O-N 2.86Å; R377-D380 IonicContact CZ-OD2 2.9Å; R377-D380 IonicContact NE-OD1 3.94Å; R377-D380 VanDerWaalsContact NH2-CG 3.27Å; R377-D380 IonicContact NH2-OD1 3.84Å; R377-D380 PolarHBondContact NH2-OD1 2.84Å; R377-D380 IonicContact NH2-OD2 2.61Å; R377-D380 PolarHBondContact NH2-OD2 2.8Å
378	I	84.9	Confident	67	Low	1 Å²	1	82.2 Å²	82.2	1%	0.005	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	122.3	166.8	-58.5	170.1	0	0	0	108.1	R341 V344 V345 D380 A383 G407 Q409 L428	R341-I378 HydrophobicContact CG-CD1 3.95Å; R341-I378 PolarHBondContact NH2-O 3.07Å; V344-I378 WeakPolarHBondContact O-CA 3.33Å; V345-I378 HydrophobicContact CG1-CG1 4.03Å; I378-D380 PolarHBondContact O-N 2.83Å; I378-A383 HydrophobicContact CG2-CB 3.88Å; I378-G407 WeakPolarHBondContact CD1-O 3.4Å; I378-Q409 HydrophobicContact CD1-CG 4.2Å; I378-L428 HydrophobicContact CD1-CD1 3.67Å; I378-L428 HydrophobicContact CG1-CD1 3.56Å; I378-L428 HydrophobicContact CG1-CD2 4.43Å
379	K	84.4	Confident	70.2	Confident	69 Å²	69	81.9 Å²	81.9	30%	0.3	42%	0.424	S	S	.	.			trans	-53.9	126.6	173.7	-70.1	-176.6	178	-173.8	0	109.4	V344 E346 R377 S381 D382 A383	V344-K379 HydrophobicContact CG1-CD 4.36Å; V344-K379 PolarHBondContact O-N 3.26Å; E346-K379 HydrophobicContact CB-CG 4.11Å; E346-K379 HydrophobicContact CG-CG 3.93Å; E346-K379 VanDerWaalsContact OE2-CE 3.26Å; E346-K379 WeakPolarHBondContact OE2-CE 3.3Å; R377-K379 PolarHBondContact O-N 2.86Å; K379-S381 PolarHBondContact O-N 2.75Å; K379-D382 HydrophobicContact CB-CB 4.29Å; K379-D382 WeakPolarHBondContact CD-OD2 3.05Å; K379-D382 PolarHBondContact O-N 2.8Å; K379-A383 PolarHBondContact O-N 2.82Å; K379-A383 VanDerWaalsContact O-N 3.08Å
380	D	79.7	Confident	73	Confident	98 Å²	98	80 Å²	80	52%	0.524	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-63.4	-27.8	-176.2	-71.8	-12.1	0	0	0	112.1	R341 R377 I378 D382	R341-D380 IonicContact NH2-OD1 2.93Å; R341-D380 PolarHBondContact NH2-OD1 2.83Å; R377-D380 IonicContact CZ-OD2 2.9Å; R377-D380 IonicContact NE-OD1 3.94Å; R377-D380 VanDerWaalsContact NH2-CG 3.27Å; R377-D380 IonicContact NH2-OD1 3.84Å; R377-D380 PolarHBondContact NH2-OD1 2.84Å; R377-D380 IonicContact NH2-OD2 2.61Å; R377-D380 PolarHBondContact NH2-OD2 2.8Å; I378-D380 PolarHBondContact O-N 2.83Å; D380-D382 VanDerWaalsContact C-N 3.3Å; D380-D382 PolarHBondContact O-N 2.74Å
381	S	82.7	Confident	75.8	Confident	104 Å²	104	78.3 Å²	78.3	73%	0.727	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-64.9	-30.6	173.9	53.9	0	0	0	0	113.7	K379	K379-S381 PolarHBondContact O-N 2.75Å
382	D	84.2	Confident	78.8	Confident	68 Å²	68	76.3 Å²	76.3	36%	0.364	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-106.3	2.2	-175.1	-57	-42.6	0	0	0	112.3	G343 V344 K379 D380 V384	G343-D382 WeakPolarHBondContact CA-O 3.26Å; V344-D382 HydrophobicContact CB-CB 4.08Å; V344-D382 HydrophobicContact CG2-CB 4.22Å; K379-D382 HydrophobicContact CB-CB 4.29Å; K379-D382 WeakPolarHBondContact CD-OD2 3.05Å; K379-D382 PolarHBondContact O-N 2.8Å; D380-D382 VanDerWaalsContact C-N 3.3Å; D380-D382 PolarHBondContact O-N 2.74Å; D382-V384 PolarHBondContact O-N 3.18Å
383	A	86.9	Confident	81.3	Confident	23 Å²	23	75.4 Å²	75.4	19%	0.19	37%	0.372	C	S	.	.			trans	-74.8	107.8	-175.9	0	0	0	0	0	111.5	W342 I378 K379	W342-A383 CarbonylContact O-C 3.55Å; W342-A383 WeakPolarHBondContact O-CA 3.03Å; I378-A383 HydrophobicContact CG2-CB 3.88Å; K379-A383 PolarHBondContact O-N 2.82Å; K379-A383 VanDerWaalsContact O-N 3.08Å
384	V	90.3	Very high	83.6	Confident	67 Å²	67	74.7 Å²	74.7	41%	0.406	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	139.3	170.8	-169.5	0	0	0	0	109.7	R341 W342 D382	R341-V384 VanDerWaalsContact CA-O 3.29Å; R341-V384 WeakPolarHBondContact CA-O 3.36Å; W342-V384 HydrophobicContact CD2-CB 3.9Å; W342-V384 HydrophobicContact CD2-CG1 4.38Å; W342-V384 HydrophobicContact CE3-CB 4.13Å; W342-V384 HydrophobicContact CE3-CG1 4.34Å; W342-V384 HydrophobicContact CH2-CB 3.93Å; W342-V384 HydrophobicContact CH2-CG1 3.31Å; W342-V384 HydrophobicContact CZ2-CB 3.65Å; W342-V384 HydrophobicContact CZ2-CG1 3.32Å; W342-V384 HydrophobicContact CZ2-CG2 4.31Å; W342-V384 HydrophobicContact CZ3-CB 4.15Å; W342-V384 HydrophobicContact CZ3-CG1 3.85Å; W342-V384 PolarHBondContact N-O 2.85Å; W342-V384 PolarHBondContact O-N 2.76Å; D382-V384 PolarHBondContact O-N 3.18Å
385	H	90.7	Very high	85.7	Confident	70 Å²	70	73.5 Å²	73.5	32%	0.324	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.1	179.6	-68.4	-87.6	0	0	0	110.7	H339 L340 W423	H339-H385 AromaticContact NE2-CG 3.87Å; H339-H385 AromaticContact NE2-ND1 3.38Å; H339-H385 PolarHBondContact NE2-ND1 2.76Å; L340-H385 WeakPolarHBondContact O-CA 3.3Å; H385-W423 AromaticContact CE1-NE1 3.52Å
386	K	91.1	Very high	87	Confident	93 Å²	93	70.6 Å²	70.6	40%	0.404	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.3	176.9	-170.8	170.3	177.8	-179.5	0	110.8	L340 W342 L388 L395	L340-K386 PolarHBondContact N-O 2.78Å; L340-K386 PolarHBondContact O-N 2.9Å; W342-K386 HydrophobicContact CH2-CB 4.03Å; W342-K386 HydrophobicContact CH2-CD 4.43Å; W342-K386 HydrophobicContact CZ3-CB 3.68Å; K386-L388 HydrophobicContact CD-CD2 3.82Å; K386-L388 HydrophobicContact CG-CD2 3.81Å; K386-L395 HydrophobicContact CD-CD2 4.38Å
387	R	91	Very high	87.9	Confident	152 Å²	152	68.5 Å²	68.5	57%	0.574	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.7	166.3	-66.7	-173.3	174.7	171.2	-3.7	108.1	Y337 L338	Y337-R387 HydrophobicContact CD2-CB 4.06Å; Y337-R387 HydrophobicContact CD2-CG 3.77Å; Y337-R387 HydrophobicContact CE2-CG 3.74Å; L338-R387 CarbonylContact O-C 3.56Å; L338-R387 WeakPolarHBondContact O-CA 3.33Å
388	L	91.5	Very high	88.2	Confident	10 Å²	10	69.6 Å²	69.6	5%	0.052	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	150.5	-178.4	-55.1	172.7	0	0	0	108.6	W328 Y337 L338 L340 K386 L392 L395 L410	W328-L388 HydrophobicContact CH2-CD1 3.86Å; W328-L388 HydrophobicContact CZ2-CD1 4.14Å; Y337-L388 WeakPolarHBondContact CB-O 3.19Å; L338-L388 HydrophobicContact CB-CB 3.95Å; L338-L388 PolarHBondContact N-O 3.14Å; L338-L388 PolarHBondContact O-N 3.46Å; L340-L388 HydrophobicContact CB-CD1 3.82Å; L340-L388 HydrophobicContact CB-CG 4.4Å; L340-L388 HydrophobicContact CD2-CD1 4.33Å; K386-L388 HydrophobicContact CD-CD2 3.82Å; K386-L388 HydrophobicContact CG-CD2 3.81Å; L388-L392 HydrophobicContact CB-CD2 3.99Å; L388-L392 HydrophobicContact CD1-CD2 4.16Å; L388-L392 HydrophobicContact CD2-CD2 3.9Å; L388-L392 HydrophobicContact CG-CD2 4.23Å; L388-L395 HydrophobicContact CD1-CD2 4.42Å; L388-L395 HydrophobicContact CD2-CD1 4.46Å; L388-L395 HydrophobicContact CD2-CD2 3.96Å; L388-L410 HydrophobicContact CD1-CD1 4.2Å
389	E	90.8	Very high	88	Confident	138 Å²	138	76 Å²	76	65%	0.645	39%	0.39	S	S	*	.			trans	-59.6	144.9	172.7	-64	-179.5	159.8	0	0	110	D391 L392	E389-D391 WeakPolarHBondContact CB-OD1 3.45Å; E389-D391 PolarHBondContact O-N 3.03Å; E389-L392 WeakPolarHBondContact O-CB 3.42Å; E389-L392 PolarHBondContact O-N 2.94Å
390	P	86.5	Confident	88	Confident	35 Å²	35	73.2 Å²	73.2	23%	0.227	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.9	-170.4	29.3	-36.5	0	0	0	114.2	P335	P335-P390 HydrophobicContact CG-CB 3.9Å; P335-P390 WeakPolarHBondContact O-CB 3.39Å
391	D	86.2	Confident	88.3	Confident	99 Å²	99	72.4 Å²	72.4	53%	0.529	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-9.1	178.6	59.9	-37.6	0	0	0	113.7	Q330 E389 T393	Q330-D391 PolarHBondContact NE2-O 2.76Å; E389-D391 WeakPolarHBondContact CB-OD1 3.45Å; E389-D391 PolarHBondContact O-N 3.03Å; D391-T393 PolarHBondContact O-N 3.11Å
392	L	90	Very high	88.2	Confident	46 Å²	46	68.6 Å²	68.6	24%	0.241	35%	0.345	C	S	.	.			trans	-65.1	131.8	178.2	-165.5	71.5	0	0	0	111.2	W328 L338 L388 E389 N394 L395	W328-L392 VanDerWaalsContact CE2-O 3.27Å; W328-L392 HydrophobicContact CH2-CD2 4.2Å; W328-L392 HydrophobicContact CH2-CG 4.37Å; W328-L392 HydrophobicContact CZ2-CB 4.3Å; W328-L392 HydrophobicContact CZ2-CD2 4.33Å; W328-L392 HydrophobicContact CZ2-CG 4.2Å; W328-L392 WeakPolarHBondContact CZ2-O 3.04Å; W328-L392 PolarHBondContact NE1-O 3.38Å; L338-L392 WeakPolarHBondContact CD1-O 3.45Å; L388-L392 HydrophobicContact CB-CD2 3.99Å; L388-L392 HydrophobicContact CD1-CD2 4.16Å; L388-L392 HydrophobicContact CD2-CD2 3.9Å; L388-L392 HydrophobicContact CG-CD2 4.23Å; E389-L392 WeakPolarHBondContact O-CB 3.42Å; E389-L392 PolarHBondContact O-N 2.94Å; L392-N394 WeakPolarHBondContact CD1-O 3.24Å; L392-N394 WeakPolarHBondContact CD2-O 3.33Å; L392-N394 WeakPolarHBondContact CG-O 3.44Å; L392-L395 HydrophobicContact CD2-CB 4.48Å
393	T	87.9	Confident	88	Confident	59 Å²	59	68.1 Å²	68.1	36%	0.362	34%	0.343	S	S	.	.			trans	-114.1	-11.6	178.2	53.2	0	0	0	0	113.7	T327 W328 Q330 D391	T327-T393 WeakPolarHBondContact CA-O 3.46Å; W328-T393 PolarHBondContact N-O 3.16Å; W328-T393 VanDerWaalsContact N-O 3.1Å; Q330-T393 HydrophobicContact CG-CG2 3.53Å; D391-T393 PolarHBondContact O-N 3.11Å
394	N	90.5	Very high	88	Confident	84 Å²	84	70.6 Å²	70.6	45%	0.449	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.4	179.2	65.9	25.9	0	0	0	112.6	I326 T327 L392	I326-N394 CarbonylContact O-C 3.56Å; I326-N394 WeakPolarHBondContact O-CA 3.42Å; T327-N394 HydrophobicContact CG2-CB 3.86Å; L392-N394 WeakPolarHBondContact CD1-O 3.24Å; L392-N394 WeakPolarHBondContact CD2-O 3.33Å; L392-N394 WeakPolarHBondContact CG-O 3.44Å
395	L	92.9	Very high	87.7	Confident	23 Å²	23	68.6 Å²	68.6	12%	0.12	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	127.6	172	-179.1	73.3	0	0	0	109.5	I326 W328 L340 K386 L388 L392 L397	I326-L395 PolarHBondContact N-O 2.83Å; I326-L395 PolarHBondContact O-N 2.88Å; W328-L395 HydrophobicContact CH2-CB 4.07Å; W328-L395 HydrophobicContact CZ3-CB 4.26Å; L340-L395 HydrophobicContact CD2-CD2 3.46Å; L340-L395 VanDerWaalsContact CD2-CD2 3.46Å; K386-L395 HydrophobicContact CD-CD2 4.38Å; L388-L395 HydrophobicContact CD1-CD2 4.42Å; L388-L395 HydrophobicContact CD2-CD1 4.46Å; L388-L395 HydrophobicContact CD2-CD2 3.96Å; L392-L395 HydrophobicContact CD2-CB 4.48Å; L395-L397 HydrophobicContact CD2-CD2 3.67Å; L395-L397 HydrophobicContact CD2-CG 4.4Å; L395-L397 HydrophobicContact CG-CD2 4.18Å
396	T	91.5	Very high	87.5	Confident	74 Å²	74	66.2 Å²	66.2	45%	0.454	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.3	170.3	-50.6	0	0	0	0	109.8	D323 V324 Q398	D323-T396 HydrophobicContact CB-CG2 4.22Å; V324-T396 WeakPolarHBondContact O-CA 3.3Å; T396-Q398 HydrophobicContact CG2-CG 4.34Å
397	L	90.4	Very high	87.4	Confident	12 Å²	12	61.8 Å²	61.8	6%	0.063	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.6	169	-60.9	-179.2	0	0	0	108.8	D323 V324 I326 W342 L395 F408	D323-L397 CarbonylContact C-O 3.59Å; D323-L397 VanDerWaalsContact CA-O 3.24Å; D323-L397 WeakPolarHBondContact CA-O 3.11Å; V324-L397 PolarHBondContact N-O 2.81Å; V324-L397 PolarHBondContact O-N 2.86Å; I326-L397 HydrophobicContact CD1-CD1 3.46Å; I326-L397 VanDerWaalsContact CD1-CD1 3.46Å; I326-L397 HydrophobicContact CD1-CG 3.92Å; I326-L397 HydrophobicContact CG1-CD1 4.48Å; W342-L397 HydrophobicContact CB-CD1 4.42Å; W342-L397 HydrophobicContact CD2-CD1 3.76Å; W342-L397 HydrophobicContact CD2-CD2 4.49Å; W342-L397 HydrophobicContact CE3-CD1 4.39Å; W342-L397 HydrophobicContact CG-CD1 3.77Å; W342-L397 HydrophobicContact CH2-CD2 4.1Å; W342-L397 HydrophobicContact CZ2-CD1 4.45Å; W342-L397 HydrophobicContact CZ2-CD2 3.85Å; L395-L397 HydrophobicContact CD2-CD2 3.67Å; L395-L397 HydrophobicContact CD2-CG 4.4Å; L395-L397 HydrophobicContact CG-CD2 4.18Å; L397-F408 HydrophobicContact CD1-CD1 4.06Å; L397-F408 HydrophobicContact CD1-CE1 3.65Å
398	Q	87.1	Confident	87.2	Confident	137 Å²	137	54.6 Å²	54.6	64%	0.64	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	153.9	-173.7	-61.3	-173.3	-32.2	0	0	112.9	D323 T396	D323-Q398 WeakPolarHBondContact OD1-CA 3.33Å; T396-Q398 HydrophobicContact CG2-CG 4.34Å
399	K	80.7	Confident	87.1	Confident	135 Å²	135	54.5 Å²	54.5	59%	0.587	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	58.3	50.2	168.5	-58.7	-176.2	177.7	-170.2	0	114.4	D323	D323-K399 PolarHBondContact OD1-N 2.8Å
400	L	85.5	Confident	87	Confident	11 Å²	11	48 Å²	48	6%	0.058	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	144.1	167.4	-57.5	-177.2	0	0	0	110.6	G321 F322 V324 Y406 F408	G321-L400 CarbonylContact C-O 3.56Å; G321-L400 WeakPolarHBondContact CA-O 3.42Å; F322-L400 HydrophobicContact CD1-CB 3.92Å; F322-L400 VanDerWaalsContact CD1-O 3.29Å; F322-L400 WeakPolarHBondContact CD1-O 3.39Å; F322-L400 HydrophobicContact CD2-CB 4.31Å; F322-L400 HydrophobicContact CD2-CD1 4.45Å; F322-L400 HydrophobicContact CE1-CB 3.52Å; F322-L400 HydrophobicContact CE2-CB 3.98Å; F322-L400 HydrophobicContact CE2-CD1 3.76Å; F322-L400 HydrophobicContact CE2-CG 4.46Å; F322-L400 HydrophobicContact CG-CB 4.3Å; F322-L400 HydrophobicContact CZ-CB 3.55Å; F322-L400 HydrophobicContact CZ-CD1 3.86Å; F322-L400 HydrophobicContact CZ-CG 4.36Å; F322-L400 PolarHBondContact N-O 3.21Å; F322-L400 WeakPolarHBondContact O-CB 3.37Å; F322-L400 PolarHBondContact O-N 2.72Å; V324-L400 HydrophobicContact CB-CD1 4.32Å; V324-L400 HydrophobicContact CG2-CD1 3.65Å; L400-Y406 HydrophobicContact CB-CD2 4.3Å; L400-Y406 HydrophobicContact CB-CE2 3.97Å; L400-Y406 HydrophobicContact CD1-CD1 4.45Å; L400-Y406 HydrophobicContact CD1-CD2 4.42Å; L400-Y406 HydrophobicContact CD1-CG 4.24Å; L400-Y406 HydrophobicContact CD2-CD1 4.11Å; L400-Y406 HydrophobicContact CD2-CE1 3.83Å; L400-F408 HydrophobicContact CD1-CE1 4.48Å; L400-F408 HydrophobicContact CD1-CZ 4.01Å
401	N	86.2	Confident	87	Confident	81 Å²	81	46.3 Å²	46.3	43%	0.433	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-74.9	132.3	-176.6	-66.2	-34.9	0	0	0	112	F322 Q404 Y406	F322-N401 WeakPolarHBondContact CE1-O 3.11Å; N401-Q404 HydrophobicContact CB-CB 4.43Å; N401-Q404 HydrophobicContact CB-CG 4.23Å; N401-Q404 PolarHBondContact ND2-OE1 2.92Å; N401-Y406 PolarHBondContact N-OH 2.72Å
402	L	80.6	Confident	87	Confident	24 Å²	24	41.6 Å²	41.6	13%	0.126	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	153	169.2	-63.4	169.2	0	0	0	111.1	L319 F322 Q404 C433 E435	L319-L402 HydrophobicContact CB-CD1 3.84Å; F322-L402 HydrophobicContact CD1-CD2 4.09Å; L402-Q404 PolarHBondContact O-N 2.9Å; L402-C433 HydrophobicContact CD2-CB 4.45Å; L402-E435 HydrophobicContact CB-CG 4.49Å; L402-E435 HydrophobicContact CD1-CG 4.04Å
403	N	80.5	Confident	86.8	Confident	58 Å²	58	39.4 Å²	39.4	31%	0.31	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	-10.3	179	-56.8	-46.1	0	0	0	116.5	R432 C433 T434 E435	N403-R432 PolarHBondContact O-NE 3.3Å; N403-C433 PolarHBondContact N-O 2.7Å; N403-T434 WeakPolarHBondContact OD1-CA 3.34Å; N403-E435 PolarHBondContact ND2-OE1 3.11Å; N403-E435 VanDerWaalsContact ND2-OE1 3.15Å
404	Q	85	Confident	86.3	Confident	74 Å²	74	37.2 Å²	37.2	35%	0.346	19%	0.187	S	C	.	.			trans	-86.4	133.8	172.6	-71	-177.5	-12.4	0	0	110.8	N401 L402 Y406	N401-Q404 HydrophobicContact CB-CB 4.43Å; N401-Q404 HydrophobicContact CB-CG 4.23Å; N401-Q404 PolarHBondContact ND2-OE1 2.92Å; L402-Q404 PolarHBondContact O-N 2.9Å; Q404-Y406 HydrophobicContact CB-CD2 4.32Å; Q404-Y406 HydrophobicContact CB-CE2 3.69Å; Q404-Y406 WeakPolarHBondContact O-CD2 3.45Å; Q404-Y406 PolarHBondContact OE1-OH 2.86Å
405	P	85.2	Confident	85.5	Confident	26 Å²	26	33.7 Å²	33.7	17%	0.169	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.1	174	34.8	-34.7	0	0	0	109.3	V344 V345 I431 R432 P442	V344-P405 CarbonylContact C-O 3.58Å; V344-P405 VanDerWaalsContact CA-O 3.3Å; V344-P405 WeakPolarHBondContact CA-O 3.11Å; V345-P405 HydrophobicContact CG2-CB 3.55Å; V345-P405 HydrophobicContact CG2-CG 3.9Å; V345-P405 PolarHBondContact N-O 3.22Å; P405-I431 CarbonylContact C-O 3.53Å; P405-I431 WeakPolarHBondContact CA-O 3.36Å; P405-R432 HydrophobicContact CB-CB 4.22Å; P405-P442 HydrophobicContact CB-CB 3.94Å; P405-P442 HydrophobicContact CB-CG 3.96Å
406	Y	87.2	Confident	84.5	Confident	20 Å²	20	38.1 Å²	38.1	8%	0.078	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	148.5	176.2	-75.5	-92.1	0	0	0	110.5	F322 G343 V344 L400 N401 Q404 P430 I431	F322-Y406 HydrophobicContact CE1-CD2 4.43Å; F322-Y406 HydrophobicContact CE1-CE2 4.48Å; F322-Y406 HydrophobicContact CZ-CD2 4Å; F322-Y406 HydrophobicContact CZ-CE2 4.46Å; G343-Y406 CarbonylContact O-C 3.49Å; G343-Y406 VanDerWaalsContact O-CA 3.31Å; G343-Y406 WeakPolarHBondContact O-CA 2.92Å; V344-Y406 HydrophobicContact CG2-CD1 4.5Å; V344-Y406 HydrophobicContact CG2-CE1 3.99Å; L400-Y406 HydrophobicContact CB-CD2 4.3Å; L400-Y406 HydrophobicContact CB-CE2 3.97Å; L400-Y406 HydrophobicContact CD1-CD1 4.45Å; L400-Y406 HydrophobicContact CD1-CD2 4.42Å; L400-Y406 HydrophobicContact CD1-CG 4.24Å; L400-Y406 HydrophobicContact CD2-CD1 4.11Å; L400-Y406 HydrophobicContact CD2-CE1 3.83Å; N401-Y406 PolarHBondContact N-OH 2.72Å; Q404-Y406 HydrophobicContact CB-CD2 4.32Å; Q404-Y406 HydrophobicContact CB-CE2 3.69Å; Q404-Y406 WeakPolarHBondContact O-CD2 3.45Å; Q404-Y406 PolarHBondContact OE1-OH 2.86Å; Y406-P430 CarbonylContact O-C 3.44Å; Y406-P430 WeakPolarHBondContact O-CA 3.39Å; Y406-I431 PolarHBondContact N-O 2.8Å; Y406-I431 PolarHBondContact O-N 2.93Å
407	G	88	Confident	83.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.9	175.6	0	0	0	0	0	112	W342 G343 V345 I378 T429	W342-G407 WeakPolarHBondContact CA-O 3.5Å; W342-G407 WeakPolarHBondContact CB-O 3.07Å; G343-G407 PolarHBondContact N-O 2.98Å; G343-G407 VanDerWaalsContact N-O 3.17Å; G343-G407 PolarHBondContact O-N 2.88Å; V345-G407 VanDerWaalsContact CG1-CA 3.47Å; I378-G407 WeakPolarHBondContact CD1-O 3.4Å; G407-T429 WeakPolarHBondContact CA-O 3.12Å
408	F	87.6	Confident	82.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.7	-174.5	-51.5	-88.5	0	0	0	110.8	I306 L308 V324 I326 W342 L397 L400 T429 I431	I306-F408 HydrophobicContact CD1-CB 4.1Å; L308-F408 HydrophobicContact CD1-CD2 3.54Å; L308-F408 HydrophobicContact CD1-CE2 3.86Å; L308-F408 HydrophobicContact CD1-CG 4.47Å; L308-F408 HydrophobicContact CD2-CD2 3.9Å; L308-F408 HydrophobicContact CD2-CE2 4.34Å; L308-F408 HydrophobicContact CD2-CG 4.12Å; L308-F408 HydrophobicContact CG-CD2 4.4Å; V324-F408 HydrophobicContact CG1-CZ 4.43Å; V324-F408 HydrophobicContact CG2-CZ 4.45Å; I326-F408 HydrophobicContact CD1-CD1 3.54Å; I326-F408 HydrophobicContact CD1-CE1 3.97Å; I326-F408 HydrophobicContact CD1-CG 4.27Å; W342-F408 HydrophobicContact CB-CD1 3.42Å; W342-F408 VanDerWaalsContact CB-CD1 3.42Å; W342-F408 HydrophobicContact CB-CE1 3.75Å; W342-F408 HydrophobicContact CB-CG 4.32Å; W342-F408 HydrophobicContact CG-CD1 4.25Å; W342-F408 HydrophobicContact CG-CE1 4.21Å; L397-F408 HydrophobicContact CD1-CD1 4.06Å; L397-F408 HydrophobicContact CD1-CE1 3.65Å; L400-F408 HydrophobicContact CD1-CE1 4.48Å; L400-F408 HydrophobicContact CD1-CZ 4.01Å; F408-T429 WeakPolarHBondContact CD2-O 3.44Å; F408-T429 PolarHBondContact N-O 3.11Å; F408-T429 PolarHBondContact O-N 2.8Å; F408-I431 HydrophobicContact CE2-CG2 3.7Å; F408-I431 HydrophobicContact CZ-CG2 4.38Å
409	Q	88.5	Confident	80.9	Confident	9 Å²	9	41.5 Å²	41.5	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	137.2	176.7	-58	-177.3	-62.9	0	0	109.8	R341 I378 W423 V426 L428	R341-Q409 HydrophobicContact CB-CB 4.43Å; R341-Q409 PolarHBondContact N-O 2.88Å; R341-Q409 PolarHBondContact O-N 2.8Å; I378-Q409 HydrophobicContact CD1-CG 4.2Å; Q409-W423 HydrophobicContact CB-CE3 3.56Å; Q409-W423 HydrophobicContact CB-CZ3 3.5Å; Q409-W423 HydrophobicContact CG-CE3 4.34Å; Q409-W423 PolarHBondContact NE2-O 3.13Å; Q409-W423 VanDerWaalsContact NE2-O 3.17Å; Q409-V426 HydrophobicContact CB-CG1 3.93Å; Q409-V426 HydrophobicContact CG-CG1 4.25Å; Q409-V426 PolarHBondContact NE2-O 3.35Å; Q409-L428 HydrophobicContact CG-CB 4.43Å; Q409-L428 HydrophobicContact CG-CD1 3.55Å
410	L	88	Confident	80.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	133.5	-177.3	-176	65.6	0	0	0	111.1	C302 L303 I306 W328 L338 H339 L340 L388	C302-L410 WeakPolarHBondContact CA-O 3.21Å; L303-L410 HydrophobicContact CD1-CB 4.39Å; L303-L410 HydrophobicContact CD1-CD2 3.4Å; L303-L410 VanDerWaalsContact CD1-CD2 3.4Å; L303-L410 HydrophobicContact CD1-CG 3.77Å; L303-L410 PolarHBondContact N-O 2.9Å; I306-L410 HydrophobicContact CD1-CB 4.18Å; I306-L410 HydrophobicContact CG2-CD2 4.25Å; W328-L410 HydrophobicContact CB-CD2 4.12Å; W328-L410 HydrophobicContact CD2-CD2 3.28Å; W328-L410 HydrophobicContact CE3-CD2 3.66Å; W328-L410 HydrophobicContact CG-CD2 3.49Å; W328-L410 VanDerWaalsContact CG-CD2 3.49Å; W328-L410 HydrophobicContact CZ2-CD2 4.23Å; W328-L410 HydrophobicContact CZ3-CD2 4.28Å; L338-L410 HydrophobicContact CB-CD1 4.19Å; H339-L410 WeakPolarHBondContact O-CA 3.22Å; L340-L410 HydrophobicContact CB-CD1 3.94Å; L340-L410 HydrophobicContact CD1-CB 4.27Å; L340-L410 HydrophobicContact CD1-CD1 4.05Å; L388-L410 HydrophobicContact CD1-CD1 4.2Å
411	C	87.9	Confident	79.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.9	175.7	-52.4	0	0	0	0	113.6	C302 L338 H339 P421 W423	C302-C411 HydrophobicContact CB-CB 3.96Å; C302-C411 WeakPolarHBondContact CB-SG 3.44Å; C302-C411 WeakPolarHBondContact SG-CB 3.41Å; C302-C411 CovalentContact SG-SG 2.04Å; C302-C411 PolarHBondContact SG-SG 2.87Å; L338-C411 CarbonylContact C-O 3.47Å; H339-C411 PolarHBondContact N-O 2.94Å; H339-C411 PolarHBondContact O-N 3.43Å; C411-P421 HydrophobicContact CB-CB 3.96Å; C411-P421 HydrophobicContact CB-CG 3.62Å; C411-P421 VanDerWaalsContact SG-CB 3.59Å; C411-W423 HydrophobicContact CB-CH2 4.43Å; C411-W423 HydrophobicContact CB-CZ3 4.47Å; C411-W423 WeakPolarHBondContact SG-CZ3 3.47Å
412	A	86.9	Confident	78.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119.2	170.2	0	0	0	0	0	109.9	P300 K301 P331 P335 L338 Y414	P300-A412 CarbonylContact C-O 3.49Å; P300-A412 WeakPolarHBondContact CA-O 3.5Å; K301-A412 PolarHBondContact N-O 2.79Å; K301-A412 WeakPolarHBondContact O-CB 3.33Å; K301-A412 PolarHBondContact O-N 3.5Å; P331-A412 HydrophobicContact CB-CB 4.34Å; P331-A412 HydrophobicContact CG-CB 3.78Å; P335-A412 HydrophobicContact CB-CB 3.89Å; P335-A412 HydrophobicContact CG-CB 4.07Å; L338-A412 HydrophobicContact CD2-CB 3.99Å; A412-Y414 HydrophobicContact CB-CE2 3.72Å; A412-Y414 WeakPolarHBondContact CB-OH 3.42Å; A412-Y414 WeakPolarHBondContact O-CE2 3.37Å
413	V	85.5	Confident	78.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.3	-179.3	-178	0	0	0	0	109.5	P300 P335 I336 Y337 H339 N415 P421	P300-V413 HydrophobicContact CB-CG2 4.29Å; P300-V413 HydrophobicContact CG-CG2 4.47Å; P335-V413 WeakPolarHBondContact CB-O 3.41Å; I336-V413 WeakPolarHBondContact CB-O 3.31Å; I336-V413 PolarHBondContact N-O 2.86Å; Y337-V413 HydrophobicContact CD1-CB 4.06Å; Y337-V413 HydrophobicContact CD1-CG1 4.26Å; Y337-V413 HydrophobicContact CD2-CB 4.35Å; Y337-V413 HydrophobicContact CD2-CG2 4.32Å; Y337-V413 HydrophobicContact CE1-CB 3.69Å; Y337-V413 HydrophobicContact CE1-CG1 3.54Å; Y337-V413 HydrophobicContact CE1-CG2 4.22Å; Y337-V413 HydrophobicContact CE2-CB 4Å; Y337-V413 HydrophobicContact CE2-CG2 3.7Å; Y337-V413 HydrophobicContact CG-CB 4.37Å; Y337-V413 PolarHBondContact N-O 2.97Å; Y337-V413 PolarHBondContact O-N 2.8Å; H339-V413 HydrophobicContact CB-CG2 4.11Å; V413-N415 WeakPolarHBondContact CG1-O 3.47Å; V413-P421 HydrophobicContact CG2-CG 4.26Å
414	Y	77.5	Confident	77.3	Confident	14 Å²	14	44.7 Å²	44.7	6%	0.055	22%	0.216	C	C	.	.			trans	-106.2	-10.8	-178.5	-57.6	-84.7	0	0	0	113.3	H296 Q298 K301 P331 R333 P335 I336 A412	H296-Y414 CarbonylContact C-O 3.54Å; H296-Y414 WeakPolarHBondContact CA-O 3.01Å; Q298-Y414 HydrophobicContact CB-CD2 4.45Å; Q298-Y414 HydrophobicContact CB-CG 4.39Å; K301-Y414 HydrophobicContact CB-CE2 3.85Å; P331-Y414 WeakPolarHBondContact CB-OH 3.24Å; R333-Y414 HydrophobicContact CB-CE1 4.06Å; R333-Y414 PolarHBondContact O-OH 2.91Å; P335-Y414 HydrophobicContact CB-CD1 4.17Å; P335-Y414 HydrophobicContact CB-CE1 3.89Å; I336-Y414 WeakPolarHBondContact CD1-O 3.33Å; A412-Y414 HydrophobicContact CB-CE2 3.72Å; A412-Y414 WeakPolarHBondContact CB-OH 3.42Å; A412-Y414 WeakPolarHBondContact O-CE2 3.37Å
415	N	73	Confident	76	Confident	9 Å²	9	48.4 Å²	48.4	5%	0.048	23%	0.231	C	C	.	.			trans	-137.1	124.6	-176.1	-179.9	-10.9	0	0	0	110.1	H296 E297 Q298 V413 E417 F418	H296-N415 WeakPolarHBondContact O-CA 2.85Å; H296-N415 VanDerWaalsContact O-CB 3.25Å; H296-N415 WeakPolarHBondContact O-CB 2.93Å; E297-N415 PolarHBondContact O-ND2 3.27Å; Q298-N415 WeakPolarHBondContact O-CB 3.42Å; V413-N415 WeakPolarHBondContact CG1-O 3.47Å; N415-E417 PolarHBondContact O-N 2.9Å; N415-E417 WeakPolarHBondContact OD1-CB 3.4Å; N415-E417 WeakPolarHBondContact OD1-CG 3.31Å; N415-E417 PolarHBondContact OD1-N 3.07Å; N415-F418 HydrophobicContact CB-CD2 3.99Å; N415-F418 HydrophobicContact CB-CE2 4.44Å; N415-F418 PolarHBondContact O-N 3.04Å; N415-F418 VanDerWaalsContact O-N 3.11Å
416	L	71.1	Confident	74.8	Confident	117 Å²	117	47.8 Å²	47.8	61%	0.613	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.1	-178.8	-67.5	174.5	0	0	0	113.9	I336 Y337 F418	I336-L416 HydrophobicContact CD1-CD2 4.31Å; I336-L416 HydrophobicContact CD1-CG 3.95Å; I336-L416 HydrophobicContact CG2-CD2 4.08Å; Y337-L416 HydrophobicContact CE1-CD2 4.47Å; L416-F418 PolarHBondContact O-N 3.05Å
417	E	67.9	Low	73.7	Confident	90 Å²	90	49.4 Å²	49.4	42%	0.421	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-32	171.1	-70.6	-172.5	-175.7	0	0	111.5	R256 K284 N415 K419	R256-E417 IonicContact CZ-OE1 2.89Å; R256-E417 IonicContact NH1-OE1 3.37Å; R256-E417 PolarHBondContact NH1-OE1 3.35Å; K284-E417 IonicContact NZ-OE2 3.25Å; K284-E417 PolarHBondContact NZ-OE2 2.82Å; N415-E417 PolarHBondContact O-N 2.9Å; N415-E417 WeakPolarHBondContact OD1-CB 3.4Å; N415-E417 WeakPolarHBondContact OD1-CG 3.31Å; N415-E417 PolarHBondContact OD1-N 3.07Å; E417-K419 VanDerWaalsContact C-N 3.32Å; E417-K419 PolarHBondContact O-N 3.38Å
418	F	65.1	Low	73	Confident	42 Å²	42	51.1 Å²	51.1	18%	0.184	25%	0.248	C	C	.	.			trans	-85	74.4	176.2	-65.9	-89.5	0	0	0	110.2	Y286 K299 P300 Y337 N415 L416 K420	Y286-F418 AromaticContact CE1-CE2 3.99Å; Y286-F418 HydrophobicContact CE1-CE2 3.99Å; Y286-F418 HydrophobicContact CE1-CZ 4.05Å; Y286-F418 HydrophobicContact CE2-CZ 4.38Å; Y286-F418 AromaticContact CZ-CZ 3.75Å; K299-F418 HydrophobicContact CB-CZ 4.46Å; K299-F418 HydrophobicContact CG-CE1 4.44Å; K299-F418 HydrophobicContact CG-CE2 4.35Å; K299-F418 HydrophobicContact CG-CZ 3.78Å; P300-F418 VanDerWaalsContact CD-CG 3.43Å; P300-F418 HydrophobicContact CG-CB 3.49Å; P300-F418 VanDerWaalsContact CG-CB 3.49Å; P300-F418 HydrophobicContact CG-CD1 3.91Å; P300-F418 HydrophobicContact CG-CD2 4.23Å; P300-F418 HydrophobicContact CG-CG 3.63Å; Y337-F418 PolarHBondContact OH-O 3.28Å; N415-F418 HydrophobicContact CB-CD2 3.99Å; N415-F418 HydrophobicContact CB-CE2 4.44Å; N415-F418 PolarHBondContact O-N 3.04Å; N415-F418 VanDerWaalsContact O-N 3.11Å; L416-F418 PolarHBondContact O-N 3.05Å; F418-K420 PolarHBondContact O-N 3.42Å
419	K	60.4	Low	72.3	Confident	161 Å²	161	53.1 Å²	53.1	70%	0.7	26%	0.26	S	S	*	.	S	Bend	trans	-52.5	-31	177.8	-68.9	-175	179.7	-179.7	0	113.1	Y337 E417	Y337-K419 PolarHBondContact OH-O 2.93Å; E417-K419 VanDerWaalsContact C-N 3.32Å; E417-K419 PolarHBondContact O-N 3.38Å
420	K	66.1	Low	71.8	Confident	135 Å²	135	53.2 Å²	53.2	59%	0.587	26%	0.262	S	S	*	.	S	Bend	trans	-144.8	136.5	175.9	-63.7	-174.2	180	-177.1	0	110.2	F418	F418-K420 PolarHBondContact O-N 3.42Å
421	P	68.8	Low	71.4	Confident	5 Å²	5	54 Å²	54	3%	0.032	27%	0.266	C	S	.	.			trans	-61.2	151.5	170.6	-20.7	30.7	0	0	0	112.8	P300 H339 C411 V413 W423	P300-P421 HydrophobicContact CB-CB 4.42Å; P300-P421 HydrophobicContact CB-CG 4.48Å; H339-P421 HydrophobicContact CB-CG 3.95Å; H339-P421 WeakPolarHBondContact ND1-CD 3.19Å; C411-P421 HydrophobicContact CB-CB 3.96Å; C411-P421 HydrophobicContact CB-CG 3.62Å; C411-P421 VanDerWaalsContact SG-CB 3.59Å; V413-P421 HydrophobicContact CG2-CG 4.26Å; P421-W423 HydrophobicContact CB-CD2 4.33Å; P421-W423 HydrophobicContact CB-CE3 4.47Å; P421-W423 HydrophobicContact CB-CH2 4.17Å; P421-W423 HydrophobicContact CB-CZ2 3.99Å; P421-W423 HydrophobicContact CB-CZ3 4.4Å; P421-W423 HydrophobicContact CG-CH2 3.81Å; P421-W423 HydrophobicContact CG-CZ2 3.63Å; P421-W423 HydrophobicContact CG-CZ3 4.47Å; P421-W423 VanDerWaalsContact O-CD1 3.23Å; P421-W423 PolarHBondContact O-N 3.26Å; P421-W423 VanDerWaalsContact O-N 3.12Å; P421-W423 PolarHBondContact O-NE1 2.99Å
422	S	69.9	Low	71.2	Confident	75 Å²	75	58.8 Å²	58.8	52%	0.524	28%	0.284	S	S	.	.			trans	-79.6	86.1	172.2	-65.2	0	0	0	0	111	H424 K425	S422-H424 PolarHBondContact O-N 2.77Å; S422-H424 VanDerWaalsContact O-N 3.11Å; S422-K425 PolarHBondContact O-N 3.25Å
423	W	71.9	Confident	70.8	Confident	23 Å²	23	58.8 Å²	58.8	9%	0.087	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-61.4	-19.2	-170.6	-60.5	110.1	0	0	0	116.8	H339 R341 H385 Q409 C411 P421 K425 V426	H339-W423 HydrophobicContact CB-CH2 4.34Å; H339-W423 HydrophobicContact CB-CZ2 4.43Å; H339-W423 AromaticContact CD2-CZ2 3.59Å; H339-W423 AromaticContact CG-CZ2 3.96Å; H339-W423 WeakPolarHBondContact O-CH2 3.35Å; R341-W423 HydrophobicContact CB-CD2 4.21Å; R341-W423 HydrophobicContact CB-CE3 4.29Å; R341-W423 HydrophobicContact CB-CH2 3.83Å; R341-W423 HydrophobicContact CB-CZ2 3.75Å; R341-W423 HydrophobicContact CB-CZ3 4.1Å; R341-W423 VanDerWaalsContact NH1-CB 3.28Å; H385-W423 AromaticContact CE1-NE1 3.52Å; Q409-W423 HydrophobicContact CB-CE3 3.56Å; Q409-W423 HydrophobicContact CB-CZ3 3.5Å; Q409-W423 HydrophobicContact CG-CE3 4.34Å; Q409-W423 PolarHBondContact NE2-O 3.13Å; Q409-W423 VanDerWaalsContact NE2-O 3.17Å; C411-W423 HydrophobicContact CB-CH2 4.43Å; C411-W423 HydrophobicContact CB-CZ3 4.47Å; C411-W423 WeakPolarHBondContact SG-CZ3 3.47Å; P421-W423 HydrophobicContact CB-CD2 4.33Å; P421-W423 HydrophobicContact CB-CE3 4.47Å; P421-W423 HydrophobicContact CB-CH2 4.17Å; P421-W423 HydrophobicContact CB-CZ2 3.99Å; P421-W423 HydrophobicContact CB-CZ3 4.4Å; P421-W423 HydrophobicContact CG-CH2 3.81Å; P421-W423 HydrophobicContact CG-CZ2 3.63Å; P421-W423 HydrophobicContact CG-CZ3 4.47Å; P421-W423 VanDerWaalsContact O-CD1 3.23Å; P421-W423 PolarHBondContact O-N 3.26Å; P421-W423 VanDerWaalsContact O-N 3.12Å; P421-W423 PolarHBondContact O-NE1 2.99Å; W423-K425 PolarHBondContact O-N 3.35Å; W423-K425 VanDerWaalsContact O-N 3.16Å; W423-V426 HydrophobicContact CE3-CB 4.23Å; W423-V426 HydrophobicContact CE3-CG1 4.3Å; W423-V426 HydrophobicContact CE3-CG2 4.04Å; W423-V426 HydrophobicContact CZ3-CG1 4.45Å; W423-V426 PolarHBondContact O-N 3.04Å; W423-V426 VanDerWaalsContact O-N 3.11Å
424	H	61.9	Low	70.5	Confident	139 Å²	139	60.1 Å²	60.1	64%	0.644	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-65.9	-15.7	-177.8	58.6	-89.2	0	0	0	113.7	S422	S422-H424 PolarHBondContact O-N 2.77Å; S422-H424 VanDerWaalsContact O-N 3.11Å
425	K	57.1	Low	70.3	Confident	151 Å²	151	65 Å²	65	66%	0.657	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-105	3.4	176.4	-54.5	-168.2	177.9	-174.5	0	113.5	S422 W423	S422-K425 PolarHBondContact O-N 3.25Å; W423-K425 PolarHBondContact O-N 3.35Å; W423-K425 VanDerWaalsContact O-N 3.16Å
426	V	61.5	Low	70.3	Confident	13 Å²	13	72 Å²	72	8%	0.079	35%	0.348	C	S	.	.	S	Bend	trans	-98.6	128.1	-170.5	-177.5	0	0	0	0	109.7	C302 Q409 W423 L428	C302-V426 HydrophobicContact CB-CB 4.21Å; C302-V426 HydrophobicContact CB-CG1 3.64Å; C302-V426 HydrophobicContact CB-CG2 3.69Å; C302-V426 WeakPolarHBondContact SG-CG2 3.43Å; Q409-V426 HydrophobicContact CB-CG1 3.93Å; Q409-V426 HydrophobicContact CG-CG1 4.25Å; Q409-V426 PolarHBondContact NE2-O 3.35Å; W423-V426 HydrophobicContact CE3-CB 4.23Å; W423-V426 HydrophobicContact CE3-CG1 4.3Å; W423-V426 HydrophobicContact CE3-CG2 4.04Å; W423-V426 HydrophobicContact CZ3-CG1 4.45Å; W423-V426 PolarHBondContact O-N 3.04Å; W423-V426 VanDerWaalsContact O-N 3.11Å; V426-L428 PolarHBondContact O-N 2.98Å
427	P	62.3	Low	70.1	Confident	55 Å²	55	70.5 Å²	70.5	36%	0.357	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-51.2	129.6	173.2	-28	37.3	0	0	0	110.5	N304	N304-P427 HydrophobicContact CB-CG 4.48Å
428	L	73.3	Confident	70.3	Confident	35 Å²	35	70 Å²	70	18%	0.183	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-103.2	127.5	176.6	-179.3	67.8	0	0	0	107.4	V345 W376 I378 Q409 V426 P430	V345-L428 HydrophobicContact CG1-CD1 4.48Å; V345-L428 HydrophobicContact CG1-CD2 3.82Å; V345-L428 HydrophobicContact CG1-CG 4.49Å; W376-L428 HydrophobicContact CB-CD2 3.49Å; W376-L428 VanDerWaalsContact CB-CD2 3.49Å; W376-L428 VanDerWaalsContact O-CD2 3.22Å; W376-L428 WeakPolarHBondContact O-CD2 3.38Å; I378-L428 HydrophobicContact CD1-CD1 3.67Å; I378-L428 HydrophobicContact CG1-CD1 3.56Å; I378-L428 HydrophobicContact CG1-CD2 4.43Å; Q409-L428 HydrophobicContact CG-CB 4.43Å; Q409-L428 HydrophobicContact CG-CD1 3.55Å; V426-L428 PolarHBondContact O-N 2.98Å; L428-P430 VanDerWaalsContact O-CD 3.29Å; L428-P430 WeakPolarHBondContact O-CD 3.31Å
429	T	73.1	Confident	70.7	Confident	42 Å²	42	69.8 Å²	69.8	26%	0.258	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	103.2	174.3	-52.1	0	0	0	0	108.7	L308 G407 F408	L308-T429 HydrophobicContact CD1-CG2 3.64Å; L308-T429 HydrophobicContact CG-CG2 4.39Å; G407-T429 WeakPolarHBondContact CA-O 3.12Å; F408-T429 WeakPolarHBondContact CD2-O 3.44Å; F408-T429 PolarHBondContact N-O 3.11Å; F408-T429 PolarHBondContact O-N 2.8Å
430	P	78.5	Confident	71.3	Confident	12 Å²	12	66.4 Å²	66.4	8%	0.078	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	144.7	179.4	33.4	-29.4	0	0	0	112.6	V345 W376 Y406 L428 E441 P442	V345-P430 HydrophobicContact CG2-CB 4.11Å; W376-P430 HydrophobicContact CG-CB 4.4Å; W376-P430 HydrophobicContact CG-CG 4.06Å; Y406-P430 CarbonylContact O-C 3.44Å; Y406-P430 WeakPolarHBondContact O-CA 3.39Å; L428-P430 VanDerWaalsContact O-CD 3.29Å; L428-P430 WeakPolarHBondContact O-CD 3.31Å; P430-E441 HydrophobicContact CG-CG 3.91Å; P430-P442 HydrophobicContact CB-CG 3.87Å; P430-P442 HydrophobicContact CG-CG 4.27Å
431	I	80.7	Confident	71.2	Confident	16 Å²	16	66 Å²	66	8%	0.082	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	139	174	-162.3	173.8	0	0	0	109.8	L308 P310 F322 P405 Y406 F408 C439	L308-I431 HydrophobicContact CD1-CB 4.47Å; P310-I431 HydrophobicContact CB-CD1 4.36Å; P310-I431 HydrophobicContact CG-CD1 4.08Å; F322-I431 HydrophobicContact CE2-CG2 4.43Å; P405-I431 CarbonylContact C-O 3.53Å; P405-I431 WeakPolarHBondContact CA-O 3.36Å; Y406-I431 PolarHBondContact N-O 2.8Å; Y406-I431 PolarHBondContact O-N 2.93Å; F408-I431 HydrophobicContact CE2-CG2 3.7Å; F408-I431 HydrophobicContact CZ-CG2 4.38Å; I431-C439 HydrophobicContact CD1-CB 4.15Å; I431-C439 HydrophobicContact CG1-CB 4.33Å
432	R	82.4	Confident	70.9	Confident	100 Å²	100	66.4 Å²	66.4	38%	0.377	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118.7	169.2	-176.6	-178.3	-177.2	-165.9	-5.6	108.3	N403 P405 C439 Q440 P442	N403-R432 PolarHBondContact O-NE 3.3Å; P405-R432 HydrophobicContact CB-CB 4.22Å; R432-C439 WeakPolarHBondContact O-CA 3.11Å; R432-Q440 PolarHBondContact N-O 2.03Å; R432-Q440 PolarHBondContact O-N 3.45Å; R432-P442 HydrophobicContact CB-CB 4.2Å
433	C	79.7	Confident	70.1	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.339	C	S	.	.			trans	-101.4	128.8	173.5	-66.5	0	0	0	0	109.8	F322 L402 N403 C439	F322-C433 HydrophobicContact CD1-CB 4Å; F322-C433 HydrophobicContact CD2-CB 4.35Å; F322-C433 HydrophobicContact CE1-CB 4.05Å; F322-C433 HydrophobicContact CE2-CB 4.37Å; F322-C433 HydrophobicContact CG-CB 4.16Å; F322-C433 HydrophobicContact CZ-CB 4.25Å; L402-C433 HydrophobicContact CD2-CB 4.45Å; N403-C433 PolarHBondContact N-O 2.7Å; C433-C439 HydrophobicContact CB-CB 4.2Å; C433-C439 WeakPolarHBondContact CB-SG 3.3Å; C433-C439 WeakPolarHBondContact SG-CB 2.99Å; C433-C439 CovalentContact SG-SG 2.04Å; C433-C439 PolarHBondContact SG-SG 3.13Å
434	T	77.7	Confident	69	Low	29 Å²	29	72 Å²	72	18%	0.178	35%	0.349	C	S	.	.			trans	-91.4	170.3	175.3	69	0	0	0	0	111.7	N403 Q436 F437 N438	N403-T434 WeakPolarHBondContact OD1-CA 3.34Å; T434-Q436 PolarHBondContact O-N 2.77Å; T434-Q436 PolarHBondContact OG1-N 3.1Å; T434-Q436 PolarHBondContact OG1-OE1 3.42Å; T434-Q436 VanDerWaalsContact OG1-OE1 3.13Å; T434-F437 WeakPolarHBondContact O-CA 3.31Å; T434-F437 PolarHBondContact O-N 3.34Å; T434-N438 PolarHBondContact N-O 3.07Å; T434-N438 PolarHBondContact OG1-N 2.77Å
435	E	74.7	Confident	68	Low	117 Å²	117	71.6 Å²	71.6	55%	0.547	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.6	172.2	-70.2	169.3	-154.7	0	0	113.1	L319 L402 N403 F437	L319-E435 WeakPolarHBondContact CD1-O 3.11Å; L402-E435 HydrophobicContact CB-CG 4.49Å; L402-E435 HydrophobicContact CD1-CG 4.04Å; N403-E435 PolarHBondContact ND2-OE1 3.11Å; N403-E435 VanDerWaalsContact ND2-OE1 3.15Å; E435-F437 PolarHBondContact O-N 3.19Å
436	Q	71.6	Confident	67.1	Low	154 Å²	154	71.6 Å²	71.6	72%	0.72	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	12.2	171.8	-55	81.2	8.8	0	0	112.9	T434 N438	T434-Q436 PolarHBondContact O-N 2.77Å; T434-Q436 PolarHBondContact OG1-N 3.1Å; T434-Q436 PolarHBondContact OG1-OE1 3.42Å; T434-Q436 VanDerWaalsContact OG1-OE1 3.13Å; Q436-N438 PolarHBondContact O-N 3.08Å
437	F	67.8	Low	65.6	Low	86 Å²	86	75.6 Å²	75.6	38%	0.377	38%	0.376	S	S	.	.			trans	53.1	37.4	-175.8	-167	-120.3	0	0	0	113.8	P310 L312 T434 E435 C439	P310-F437 HydrophobicContact CB-CE2 4.2Å; P310-F437 HydrophobicContact CB-CZ 4.46Å; P310-F437 HydrophobicContact CG-CE2 4.3Å; P310-F437 HydrophobicContact CG-CZ 4.2Å; L312-F437 HydrophobicContact CD1-CB 4.14Å; L312-F437 HydrophobicContact CD1-CD1 4.37Å; L312-F437 HydrophobicContact CD1-CD2 4.04Å; L312-F437 HydrophobicContact CD1-CG 3.92Å; L312-F437 HydrophobicContact CD2-CB 4.23Å; L312-F437 HydrophobicContact CD2-CD2 3.34Å; L312-F437 HydrophobicContact CD2-CE2 3.9Å; L312-F437 HydrophobicContact CD2-CG 3.98Å; L312-F437 HydrophobicContact CG-CD2 3.62Å; L312-F437 HydrophobicContact CG-CE2 3.86Å; L312-F437 HydrophobicContact CG-CG 4.04Å; L312-F437 HydrophobicContact CG-CZ 4.48Å; T434-F437 WeakPolarHBondContact O-CA 3.31Å; T434-F437 PolarHBondContact O-N 3.34Å; E435-F437 PolarHBondContact O-N 3.19Å; F437-C439 WeakPolarHBondContact CE2-SG 2.94Å; F437-C439 PolarHBondContact O-N 2.81Å
438	N	71	Confident	64	Low	81 Å²	81	76.7 Å²	76.7	43%	0.433	39%	0.39	S	S	.	.			trans	-89.7	85.2	170.1	-161.8	8.7	0	0	0	109	T434 Q436 Q440	T434-N438 PolarHBondContact N-O 3.07Å; T434-N438 PolarHBondContact OG1-N 2.77Å; Q436-N438 PolarHBondContact O-N 3.08Å; N438-Q440 PolarHBondContact ND2-NE2 2.95Å; N438-Q440 VanDerWaalsContact ND2-NE2 3.19Å; N438-Q440 PolarHBondContact O-N 3.34Å; N438-Q440 VanDerWaalsContact OD1-CD 3.31Å; N438-Q440 VanDerWaalsContact OD1-CG 3.28Å; N438-Q440 WeakPolarHBondContact OD1-CG 3.45Å; N438-Q440 PolarHBondContact OD1-NE2 2.9Å
439	C	74.1	Confident	61.7	Low	36 Å²	36	83.6 Å²	83.6	24%	0.243	42%	0.421	C	S	.	.			trans	-81.3	105.6	176.3	-63.8	0	0	0	0	109.8	P310 I431 R432 C433 F437	P310-C439 HydrophobicContact CG-CB 3.87Å; P310-C439 VanDerWaalsContact CG-SG 3.53Å; I431-C439 HydrophobicContact CD1-CB 4.15Å; I431-C439 HydrophobicContact CG1-CB 4.33Å; R432-C439 WeakPolarHBondContact O-CA 3.11Å; C433-C439 HydrophobicContact CB-CB 4.2Å; C433-C439 WeakPolarHBondContact CB-SG 3.3Å; C433-C439 WeakPolarHBondContact SG-CB 2.99Å; C433-C439 CovalentContact SG-SG 2.04Å; C433-C439 PolarHBondContact SG-SG 3.13Å; F437-C439 WeakPolarHBondContact CE2-SG 2.94Å; F437-C439 PolarHBondContact O-N 2.81Å
440	Q	72.4	Confident	59.6	Low	90 Å²	90	87.7 Å²	87.7	42%	0.421	45%	0.448	S	S	.	.	B	Isolated β-bridge	trans	-133.8	166.3	179.9	-60	-170.4	-2.7	0	0	110.6	R432 N438	R432-Q440 PolarHBondContact N-O 2.03Å; R432-Q440 PolarHBondContact O-N 3.45Å; N438-Q440 PolarHBondContact ND2-NE2 2.95Å; N438-Q440 VanDerWaalsContact ND2-NE2 3.19Å; N438-Q440 PolarHBondContact O-N 3.34Å; N438-Q440 VanDerWaalsContact OD1-CD 3.31Å; N438-Q440 VanDerWaalsContact OD1-CG 3.28Å; N438-Q440 WeakPolarHBondContact OD1-CG 3.45Å; N438-Q440 PolarHBondContact OD1-NE2 2.9Å
441	E	65	Low	57.2	Low	128 Å²	128	91.5 Å²	91.5	60%	0.598	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-59.6	130.4	164.2	-160.1	177.1	175.2	0	0	108.8	P430 K443	P430-E441 HydrophobicContact CG-CG 3.91Å; E441-K443 PolarHBondContact O-N 3.46Å
442	P	62.8	Low	54.6	Low	13 Å²	13	97.6 Å²	97.6	8%	0.084	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-59.9	129.7	-179.2	22.9	-32.6	0	0	0	111	W376 P405 P430 R432	W376-P442 HydrophobicContact CD2-CG 4.3Å; W376-P442 HydrophobicContact CE3-CG 4.48Å; W376-P442 HydrophobicContact CH2-CB 3.71Å; W376-P442 HydrophobicContact CH2-CG 3.81Å; W376-P442 HydrophobicContact CZ2-CB 3.74Å; W376-P442 HydrophobicContact CZ2-CG 3.58Å; W376-P442 VanDerWaalsContact CZ2-O 3.25Å; W376-P442 WeakPolarHBondContact CZ2-O 3.32Å; W376-P442 HydrophobicContact CZ3-CB 4.43Å; W376-P442 HydrophobicContact CZ3-CG 4.24Å; P405-P442 HydrophobicContact CB-CB 3.94Å; P405-P442 HydrophobicContact CB-CG 3.96Å; P430-P442 HydrophobicContact CB-CG 3.87Å; P430-P442 HydrophobicContact CG-CG 4.27Å; R432-P442 HydrophobicContact CB-CB 4.2Å
443	K	52.1	Low	51.9	Low	165 Å²	165	102.2 Å²	102.2	72%	0.717	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-94.7	141	170.4	-64.4	-178.4	-177.8	176.6	0	109.4	E441	E441-K443 PolarHBondContact O-N 3.46Å
444	V	49.2	Very low	49.2	Very low	50 Å²	50	109.3 Å²	109.3	30%	0.303	57%	0.569	S	S	.	*			trans	-86.2	114.5	174.1	-164.3	0	0	0	0	108.8	P347 W376 W446	P347-V444 HydrophobicContact CB-CG2 4.28Å; W376-V444 HydrophobicContact CH2-CG2 4.09Å; W376-V444 HydrophobicContact CZ2-CG2 3.91Å; V444-W446 HydrophobicContact CB-CZ2 4.09Å; V444-W446 HydrophobicContact CG1-CD2 4.27Å; V444-W446 VanDerWaalsContact CG1-CE2 3.4Å; V444-W446 HydrophobicContact CG1-CH2 4Å; V444-W446 HydrophobicContact CG1-CZ2 3.21Å
445	D	41.5	Very low	46.7	Very low	130 Å²	130	113.9 Å²	113.9	70%	0.695	60%	0.599	S	S	*	*			trans	-94.2	111.3	179.2	-158.1	-18.1	0	0	0	109.8	S447	D445-S447 PolarHBondContact OD1-N 3.23Å; D445-S447 PolarHBondContact OD1-OG 3.06Å
446	W	38.3	Very low	44.2	Very low	152 Å²	152	114.6 Å²	114.6	58%	0.576	61%	0.611	S	S	*	*			trans	-91.2	3.7	-174.5	-67.2	99.2	0	0	0	113.7	Y374 V444	Y374-W446 AromaticContact CD2-CZ2 3.99Å; Y374-W446 HydrophobicContact CD2-CZ2 3.99Å; Y374-W446 AromaticContact CE1-CH2 3.86Å; Y374-W446 HydrophobicContact CE1-CH2 3.86Å; Y374-W446 AromaticContact CE1-CZ2 3.85Å; Y374-W446 HydrophobicContact CE1-CZ2 3.85Å; Y374-W446 AromaticContact CE2-CE2 3.75Å; Y374-W446 AromaticContact CE2-CH2 3.84Å; Y374-W446 HydrophobicContact CE2-CH2 3.84Å; Y374-W446 AromaticContact CE2-CZ2 3.05Å; Y374-W446 HydrophobicContact CE2-CZ2 3.05Å; Y374-W446 AromaticContact CZ-CH2 3.26Å; Y374-W446 AromaticContact CZ-CZ2 3.02Å; Y374-W446 WeakPolarHBondContact OH-CH2 3.43Å; Y374-W446 WeakPolarHBondContact OH-CZ2 3.48Å; V444-W446 HydrophobicContact CB-CZ2 4.09Å; V444-W446 HydrophobicContact CG1-CD2 4.27Å; V444-W446 VanDerWaalsContact CG1-CE2 3.4Å; V444-W446 HydrophobicContact CG1-CH2 4Å; V444-W446 HydrophobicContact CG1-CZ2 3.21Å
447	S	28.8	Very low	41.9	Very low	97 Å²	97	115.5 Å²	115.5	68%	0.678	62%	0.62	S	S	*	*			trans	-85.7	-2.6	-173.4	60.8	0	0	0	0	114.7	D445	D445-S447 PolarHBondContact OD1-N 3.23Å; D445-S447 PolarHBondContact OD1-OG 3.06Å
448	A	29.1	Very low	39.7	Very low	78 Å²	78	114.3 Å²	114.3	65%	0.645	63%	0.632	S	S	*	*	S	Bend	trans	-99.7	107.9	174.6	0	0	0	0	0	111	P450	A448-P450 VanDerWaalsContact O-CD 3.32Å; A448-P450 WeakPolarHBondContact O-CD 3.24Å
449	H	25.8	Very low	37.5	Very low	180 Å²	180	116.2 Å²	116.2	83%	0.833	65%	0.646	S	S	*	*			trans	-50.5	121.5	167.3	-71.8	-34.6	0	0	0	111.1	S451	H449-S451 VanDerWaalsContact C-N 3.3Å; H449-S451 PolarHBondContact O-N 3.08Å
450	P	29.4	Very low	34.9	Very low	128 Å²	128	117.9 Å²	117.9	83%	0.831	67%	0.669	S	S	*	*			trans	-90.7	74.4	165.2	32.1	-22.5	0	0	0	108.3	A448	A448-P450 VanDerWaalsContact O-CD 3.32Å; A448-P450 WeakPolarHBondContact O-CD 3.24Å
451	S	27.5	Very low	32.7	Very low	92 Å²	92	122.1 Å²	122.1	64%	0.643	69%	0.689	S	S	*	*			trans	-63.4	139	145.8	54.7	0	0	0	0	107.5	H449	H449-S451 VanDerWaalsContact C-N 3.3Å; H449-S451 PolarHBondContact O-N 3.08Å
452	D	25.1	Very low	30.8	Very low	143 Å²	143	121.9 Å²	121.9	77%	0.765	70%	0.701	S	S	*	*	S	Bend	trans	75	116.1	168.2	-60.7	-27.4	0	0	0	118.3
453	K	25.8	Very low	28.9	Very low	197 Å²	197	124.5 Å²	124.5	86%	0.857	73%	0.73	S	S	*	*			trans	96.6	96.5	152.1	-60.3	168.7	-175.7	178.2	0	117.2
454	D	23.4	Very low	27.6	Very low	150 Å²	150	125.1 Å²	125.1	80%	0.802	74%	0.735	S	S	*	*			trans	-43.3	127.3	147.6	-76	-44	0	0	0	111	V456	D454-V456 PolarHBondContact O-N 3.18Å
455	P	25.8	Very low	26.5	Very low	124 Å²	124	131.9 Å²	131.9	81%	0.805	76%	0.764	S	S	*	*			trans	-75.6	97.6	171.7	27.4	-27	0	0	0	109.7	L457	P455-L457 PolarHBondContact O-N 3.12Å
456	V	22.3	Very low	25.8	Very low	133 Å²	133	131.3 Å²	131.3	81%	0.806	77%	0.765	S	S	*	*			trans	-55.8	111.9	158.7	176.1	0	0	0	0	108.9	D454 G458	D454-V456 PolarHBondContact O-N 3.18Å; V456-G458 VanDerWaalsContact C-N 3.35Å; V456-G458 PolarHBondContact O-N 2.74Å; V456-G458 VanDerWaalsContact O-N 3.1Å
457	L	23.6	Very low	25.4	Very low	172 Å²	172	129.7 Å²	129.7	90%	0.901	77%	0.772	S	S	*	*			trans	-78	87	164.7	-91.7	159.3	0	0	0	109.2	P455	P455-L457 PolarHBondContact O-N 3.12Å
458	G	20	Very low	25.3	Very low	61 Å²	61	134.9 Å²	134.9	63%	0.629	78%	0.782	S	S	*	*			trans	-91.3	119.7	159	0	0	0	0	0	109.8	V456	V456-G458 VanDerWaalsContact C-N 3.35Å; V456-G458 PolarHBondContact O-N 2.74Å; V456-G458 VanDerWaalsContact O-N 3.1Å
459	V	24.8	Very low	25.5	Very low	122 Å²	122	136 Å²	136	74%	0.739	79%	0.785	S	S	*	*			trans	-126.7	100.2	153.8	-179.9	0	0	0	0	105.9
460	G	21.4	Very low	26.4	Very low	70 Å²	70	136.4 Å²	136.4	72%	0.722	79%	0.785	S	S	*	*			trans	-75.1	136.7	168.1	0	0	0	0	0	110.1
461	H	25.9	Very low	27.4	Very low	180 Å²	180	132.4 Å²	132.4	83%	0.833	76%	0.756	S	S	*	*			trans	-113.5	126.5	151.9	-79.1	-22.4	0	0	0	108.4
462	S	23.6	Very low	28.8	Very low	123 Å²	123	137.1 Å²	137.1	86%	0.86	76%	0.759	S	S	*	*			trans	-74.1	151.4	178	43.1	0	0	0	0	111.4
463	G	23.3	Very low	30.7	Very low	67 Å²	67	135.2 Å²	135.2	69%	0.691	75%	0.749	S	S	*	*			trans	95.7	87.5	150.2	0	0	0	0	0	116.1
464	H	25.8	Very low	33	Very low	178 Å²	178	125.9 Å²	125.9	82%	0.824	71%	0.709	S	S	*	*				173.4	113.2	99.7	-104	-73.3	0	0	0	109.5	T466	H464-T466 PolarHBondContact O-N 2.81Å
465	E	25.6	Very low	35.5	Very low	193 Å²	193	119.1 Å²	119.1	90%	0.902	67%	0.672	S	S	*	*			trans	-61.8	118	159.8	-75.1	-179.9	139.4	0	0	108.8
466	T	27.5	Very low	37.8	Very low	118 Å²	118	115.1 Å²	115.1	72%	0.724	65%	0.647	S	S	*	*			trans	-144.4	96	153.9	35.1	0	0	0	0	110.2	H464	H464-T466 PolarHBondContact O-N 2.81Å
467	T	28.1	Very low	40.2	Very low	118 Å²	118	113.8 Å²	113.8	72%	0.724	64%	0.635	S	S	*	*			trans	38.2	111.7	131.6	46.9	0	0	0	0	120.5
468	K	27.5	Very low	43	Very low	205 Å²	205	108 Å²	108	89%	0.891	60%	0.603	S	S	*	*			trans	67.9	94.1	132.4	-65.5	179.4	177.4	175.8	0	118.9
469	S	34.3	Very low	45.8	Very low	101 Å²	101	108.8 Å²	108.8	71%	0.706	60%	0.596	S	S	*	*				-161.3	139	118.7	62.3	0	0	0	0	110.1	I471	S469-I471 PolarHBondContact O-N 2.99Å
470	K	43	Very low	48.3	Very low	190 Å²	190	106 Å²	106	83%	0.826	58%	0.575	S	S	*	*			trans	-69.6	85.1	-172.2	-72.7	172.7	174	174.5	0	111.9
471	I	51.5	Low	50.6	Low	43 Å²	43	109.2 Å²	109.2	22%	0.221	57%	0.571	C	S	.	*			trans	-99.1	92.4	159.7	-56	172.4	0	0	0	106.2	S469 I474 M503 L562	S469-I471 PolarHBondContact O-N 2.99Å; I471-I474 HydrophobicContact CG2-CG1 4.06Å; I471-M503 HydrophobicContact CD1-CE 3.98Å; I471-M503 HydrophobicContact CG1-CE 4.34Å; I471-M503 HydrophobicContact CG2-CE 4.05Å; I471-L562 HydrophobicContact CD1-CD1 4.41Å
472	R	56.8	Low	52.5	Low	191 Å²	191	102.8 Å²	102.8	72%	0.721	55%	0.546	S	S	*	.			trans	-82	-34.5	-179.3	-79.1	-171.8	-179.9	-168.9	-1.1	112.5	N570	R472-N570 PolarHBondContact O-ND2 3.26Å
473	D	64.4	Low	54	Low	104 Å²	104	99.9 Å²	99.9	56%	0.556	53%	0.526	S	S	*	.			trans	-135.5	104.8	-173.3	-60.8	-53.4	0	0	0	111.5	F475 A499 N570	D473-F475 VanDerWaalsContact C-N 3.33Å; D473-A499 WeakPolarHBondContact O-CB 3.45Å; D473-N570 PolarHBondContact OD1-ND2 3.48Å; D473-N570 VanDerWaalsContact OD1-ND2 3.07Å
474	I	74.6	Confident	55.8	Low	0 Å²	0	101.7 Å²	101.7	0%	0	52%	0.515	C	S	.	.	S	Bend	trans	-74	-31.3	172.6	-67.8	175.5	0	0	0	110.4	I471 L498 A499 I507 T560 L562 V568	I471-I474 HydrophobicContact CG2-CG1 4.06Å; I474-L498 HydrophobicContact CG2-CD2 3.89Å; I474-A499 PolarHBondContact O-N 2.9Å; I474-I507 HydrophobicContact CG2-CD1 3.96Å; I474-T560 HydrophobicContact CD1-CG2 3.74Å; I474-L562 HydrophobicContact CD1-CD2 3.92Å; I474-V568 HydrophobicContact CD1-CB 3.51Å; I474-V568 HydrophobicContact CD1-CG1 3.76Å; I474-V568 HydrophobicContact CD1-CG2 3.78Å; I474-V568 HydrophobicContact CG1-CB 4.28Å; I474-V568 HydrophobicContact CG1-CG1 4Å; I474-V568 HydrophobicContact CG1-CG2 4.48Å
475	F	76.2	Confident	57.3	Low	9 Å²	9	94.9 Å²	94.9	4%	0.039	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.9	-175.8	-65.2	-79.9	0	0	0	111.4	D473 W496 Q497 L498 L537 I558 Y572	D473-F475 VanDerWaalsContact C-N 3.33Å; F475-W496 HydrophobicContact CB-CB 4.06Å; F475-W496 HydrophobicContact CD1-CB 3.77Å; F475-W496 HydrophobicContact CG-CB 4.12Å; F475-Q497 CarbonylContact C-O 3.57Å; F475-Q497 WeakPolarHBondContact CA-O 3.24Å; F475-L498 HydrophobicContact CD1-CD2 3.94Å; F475-L498 HydrophobicContact CD1-CG 4.44Å; F475-L498 HydrophobicContact CE1-CD2 3.57Å; F475-L498 HydrophobicContact CE1-CG 4.18Å; F475-L498 HydrophobicContact CZ-CD2 4.09Å; F475-L537 HydrophobicContact CE1-CB 3.88Å; F475-L537 HydrophobicContact CE1-CD2 4.05Å; F475-L537 HydrophobicContact CE2-CD2 4.5Å; F475-L537 HydrophobicContact CZ-CB 4.48Å; F475-L537 HydrophobicContact CZ-CD2 3.88Å; F475-I558 HydrophobicContact CD2-CD1 3.88Å; F475-I558 HydrophobicContact CD2-CG2 4.28Å; F475-I558 HydrophobicContact CE2-CD1 4.2Å; F475-I558 HydrophobicContact CE2-CG2 3.79Å; F475-I558 HydrophobicContact CG-CD1 4.23Å; F475-Y572 WeakPolarHBondContact CB-OH 3.38Å; F475-Y572 PolarHBondContact O-OH 3.23Å
476	S	72.9	Confident	58.5	Low	39 Å²	39	87.2 Å²	87.2	27%	0.273	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	174.7	174.5	60.8	0	0	0	0	110.9	F478 Q497 A499	S476-F478 VanDerWaalsContact C-N 3.35Å; S476-F478 PolarHBondContact O-N 3.38Å; S476-Q497 PolarHBondContact N-O 2.81Å; S476-Q497 PolarHBondContact O-N 2.81Å; S476-Q497 VanDerWaalsContact O-O 3.11Å; S476-A499 WeakPolarHBondContact OG-CA 3.42Å
477	N	74.2	Confident	59.6	Low	105 Å²	105	87 Å²	87	56%	0.561	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.7	49.6	172.4	-60.2	-16.5	0	0	0	113.5	T479 Q497	N477-T479 PolarHBondContact O-N 2.84Å; N477-Q497 HydrophobicContact CB-CB 4.23Å; N477-Q497 HydrophobicContact CB-CG 4.22Å; N477-Q497 PolarHBondContact ND2-OE1 2.94Å
478	F	80.8	Confident	60.8	Low	50 Å²	50	87.9 Å²	87.9	22%	0.219	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	123.1	171.8	171.5	-117.1	0	0	0	109.8	S476 Q480 L494 T495 W496 Y572 P573 L574	S476-F478 VanDerWaalsContact C-N 3.35Å; S476-F478 PolarHBondContact O-N 3.38Å; F478-Q480 HydrophobicContact CZ-CB 4.16Å; F478-L494 HydrophobicContact CE2-CB 4.18Å; F478-L494 HydrophobicContact CE2-CD2 4.08Å; F478-L494 HydrophobicContact CZ-CD2 4.01Å; F478-T495 WeakPolarHBondContact CA-O 3.49Å; F478-W496 AromaticContact CD2-CD1 3.55Å; F478-W496 HydrophobicContact CD2-CD2 4.21Å; F478-W496 AromaticContact CD2-CE2 3.56Å; F478-W496 HydrophobicContact CD2-CG 4.2Å; F478-W496 HydrophobicContact CD2-CZ2 4.13Å; F478-W496 AromaticContact CD2-NE1 3.1Å; F478-W496 AromaticContact CE2-CE2 3.74Å; F478-W496 AromaticContact CE2-CZ2 3.81Å; F478-W496 HydrophobicContact CE2-CZ2 3.81Å; F478-W496 AromaticContact CE2-NE1 3.68Å; F478-W496 AromaticContact CG-NE1 3.86Å; F478-Y572 HydrophobicContact CB-CD1 3.55Å; F478-Y572 HydrophobicContact CB-CE1 3.9Å; F478-Y572 HydrophobicContact CB-CG 4.21Å; F478-Y572 HydrophobicContact CD1-CD1 4.15Å; F478-Y572 HydrophobicContact CD1-CG 4.28Å; F478-Y572 HydrophobicContact CD2-CG 4.41Å; F478-Y572 AromaticContact CG-CD1 3.84Å; F478-Y572 HydrophobicContact CG-CD1 3.84Å; F478-Y572 HydrophobicContact CG-CG 4.03Å; F478-P573 WeakPolarHBondContact CE1-O 3.35Å; F478-L574 HydrophobicContact CZ-CD2 3.89Å
479	T	79.3	Confident	62.4	Low	79 Å²	79	78.1 Å²	78.1	49%	0.485	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.9	175.6	51.3	0	0	0	0	109.5	N477 T495	N477-T479 PolarHBondContact O-N 2.84Å; T479-T495 PolarHBondContact N-O 2.86Å; T479-T495 PolarHBondContact O-N 2.79Å; T479-T495 WeakPolarHBondContact OG1-CB 3.37Å
480	Q	77	Confident	63.9	Low	63 Å²	63	73.3 Å²	73.3	29%	0.294	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.7	175.6	53.1	162.7	41.4	0	0	109.2	F478 V492 T493 L494 Q575	F478-Q480 HydrophobicContact CZ-CB 4.16Å; Q480-V492 HydrophobicContact CB-CG1 4.31Å; Q480-T493 CarbonylContact C-O 3.54Å; Q480-T493 WeakPolarHBondContact CA-O 3.4Å; Q480-L494 HydrophobicContact CB-CD2 3.95Å; Q480-Q575 VanDerWaalsContact NE2-CB 3.26Å; Q480-Q575 PolarHBondContact NE2-O 3.41Å; Q480-Q575 PolarHBondContact OE1-O 3.04Å
481	H	70.6	Confident	65.2	Low	137 Å²	137	67 Å²	67	63%	0.634	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.4	122.8	177.2	-175.1	13.9	0	0	0	109.8	S483 T493	H481-S483 PolarHBondContact O-N 3.19Å; H481-S483 VanDerWaalsContact O-N 3.15Å; H481-T493 PolarHBondContact N-O 3.27Å; H481-T493 PolarHBondContact O-N 2.74Å
482	S	65.5	Low	66	Low	45 Å²	45	65.2 Å²	65.2	32%	0.315	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	110	168.8	-52.4	0	0	0	0	109.1	W491	S482-W491 CarbonylContact C-O 3.43Å; S482-W491 WeakPolarHBondContact CA-O 3.46Å
483	S	56	Low	66.9	Low	63 Å²	63	57.1 Å²	57.1	44%	0.441	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-33.3	-173.8	52.3	0	0	0	0	112.6	H481 W491	H481-S483 PolarHBondContact O-N 3.19Å; H481-S483 VanDerWaalsContact O-N 3.15Å; S483-W491 PolarHBondContact N-O 2.85Å; S483-W491 WeakPolarHBondContact OG-CB 3.3Å; S483-W491 PolarHBondContact OG-O 3.33Å
484	K	59.4	Low	67.5	Low	105 Å²	105	52.1 Å²	52.1	46%	0.457	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	131.8	-178.3	-176.2	169.1	-174.4	163.8	0	112.1	T486 W491	K484-T486 HydrophobicContact CG-CG2 4.44Å; K484-W491 HydrophobicContact CB-CB 4.25Å; K484-W491 HydrophobicContact CB-CG 4.5Å; K484-W491 PolarHBondContact N-O 3.38Å; K484-W491 VanDerWaalsContact O-CB 3.31Å; K484-W491 WeakPolarHBondContact O-CB 3.32Å; K484-W491 PolarHBondContact O-N 2.95Å
485	W	58.9	Low	67.7	Low	34 Å²	34	53.8 Å²	53.8	13%	0.129	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	158.1	164.9	-56.9	69.1	0	0	0	112.2	V490 L548 P577 E586	W485-V490 HydrophobicContact CD2-CB 3.74Å; W485-V490 HydrophobicContact CD2-CG2 3.58Å; W485-V490 HydrophobicContact CE3-CB 3.77Å; W485-V490 HydrophobicContact CE3-CG2 4.15Å; W485-V490 HydrophobicContact CG-CB 4.17Å; W485-V490 HydrophobicContact CG-CG2 3.74Å; W485-V490 HydrophobicContact CZ2-CG2 4.21Å; W485-V490 HydrophobicContact CZ3-CB 4.16Å; W485-L548 HydrophobicContact CE3-CD1 4.3Å; W485-L548 HydrophobicContact CH2-CD1 4.16Å; W485-L548 HydrophobicContact CZ3-CD1 3.57Å; W485-P577 HydrophobicContact CH2-CB 3.98Å; W485-P577 HydrophobicContact CH2-CG 3.86Å; W485-P577 HydrophobicContact CZ2-CB 3.62Å; W485-P577 HydrophobicContact CZ2-CG 3.69Å; W485-E586 WeakPolarHBondContact CB-OE1 2.97Å; W485-E586 WeakPolarHBondContact CB-OE2 3.31Å
486	T	51.1	Low	67.9	Low	33 Å²	33	53.3 Å²	53.3	20%	0.202	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	161.9	-177	61.4	0	0	0	0	109.3	K484 E488 G489	K484-T486 HydrophobicContact CG-CG2 4.44Å; T486-E488 PolarHBondContact O-N 2.82Å; T486-G489 PolarHBondContact N-O 2.77Å; T486-G489 PolarHBondContact O-N 3.49Å; T486-G489 VanDerWaalsContact O-N 3.11Å; T486-G489 VanDerWaalsContact O-O 3.07Å; T486-G489 PolarHBondContact OG1-N 3.44Å; T486-G489 PolarHBondContact OG1-O 3.05Å
487	P	50.6	Low	68.3	Low	113 Å²	113	55.9 Å²	55.9	73%	0.734	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-22.6	171.6	-26.6	35.5	0	0	0	114	N545	P487-N545 PolarHBondContact O-ND2 2.92Å
488	E	51.7	Low	68.4	Low	137 Å²	137	52.1 Å²	52.1	64%	0.64	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-24.7	-178.9	-65.9	166.7	-156.7	0	0	113.2	T486 S544 N545	T486-E488 PolarHBondContact O-N 2.82Å; E488-S544 CarbonylContact O-C 3.58Å; E488-S544 VanDerWaalsContact O-CA 3.31Å; E488-S544 WeakPolarHBondContact O-CA 3.46Å; E488-N545 PolarHBondContact O-N 3.4Å
489	G	62.1	Low	68.1	Low	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.6	-164.1	-173.5	0	0	0	0	0	114.6	T486 F543	T486-G489 PolarHBondContact N-O 2.77Å; T486-G489 PolarHBondContact O-N 3.49Å; T486-G489 VanDerWaalsContact O-N 3.11Å; T486-G489 VanDerWaalsContact O-O 3.07Å; T486-G489 PolarHBondContact OG1-N 3.44Å; T486-G489 PolarHBondContact OG1-O 3.05Å; G489-F543 CarbonylContact C-O 3.48Å; G489-F543 WeakPolarHBondContact CA-O 3.22Å
490	V	65.5	Low	67.6	Low	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.3	178.4	67.9	0	0	0	0	111.6	W485 V492 M542 F543 L548 P577	W485-V490 HydrophobicContact CD2-CB 3.74Å; W485-V490 HydrophobicContact CD2-CG2 3.58Å; W485-V490 HydrophobicContact CE3-CB 3.77Å; W485-V490 HydrophobicContact CE3-CG2 4.15Å; W485-V490 HydrophobicContact CG-CB 4.17Å; W485-V490 HydrophobicContact CG-CG2 3.74Å; W485-V490 HydrophobicContact CZ2-CG2 4.21Å; W485-V490 HydrophobicContact CZ3-CB 4.16Å; V490-V492 HydrophobicContact CG1-CG2 4.04Å; V490-V492 HydrophobicContact CG2-CG2 4.33Å; V490-M542 CarbonylContact O-C 3.41Å; V490-M542 WeakPolarHBondContact O-CA 3.36Å; V490-F543 HydrophobicContact CG1-CB 4.07Å; V490-F543 HydrophobicContact CG1-CD2 4.36Å; V490-F543 PolarHBondContact N-O 3.31Å; V490-F543 PolarHBondContact O-N 3.14Å; V490-L548 HydrophobicContact CB-CD1 4.14Å; V490-L548 HydrophobicContact CG1-CD1 3.69Å; V490-L548 HydrophobicContact CG1-CD2 3.79Å; V490-L548 HydrophobicContact CG1-CG 4.26Å; V490-P577 HydrophobicContact CB-CG 4.45Å; V490-P577 HydrophobicContact CG1-CG 3.82Å; V490-P577 HydrophobicContact CG2-CG 4.2Å
491	W	69.4	Low	67.1	Low	58 Å²	58	57.6 Å²	57.6	22%	0.22	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	127.8	167.3	-66.3	91.2	0	0	0	109.5	S482 S483 K484 I540 M542	S482-W491 CarbonylContact C-O 3.43Å; S482-W491 WeakPolarHBondContact CA-O 3.46Å; S483-W491 PolarHBondContact N-O 2.85Å; S483-W491 WeakPolarHBondContact OG-CB 3.3Å; S483-W491 PolarHBondContact OG-O 3.33Å; K484-W491 HydrophobicContact CB-CB 4.25Å; K484-W491 HydrophobicContact CB-CG 4.5Å; K484-W491 PolarHBondContact N-O 3.38Å; K484-W491 VanDerWaalsContact O-CB 3.31Å; K484-W491 WeakPolarHBondContact O-CB 3.32Å; K484-W491 PolarHBondContact O-N 2.95Å; W491-I540 HydrophobicContact CE3-CG2 3.49Å; W491-I540 VanDerWaalsContact CE3-CG2 3.49Å; W491-I540 HydrophobicContact CZ3-CG2 3.91Å; W491-M542 HydrophobicContact CD2-CB 3.97Å; W491-M542 HydrophobicContact CD2-CG 4.24Å; W491-M542 HydrophobicContact CE3-CB 3.78Å; W491-M542 HydrophobicContact CH2-CB 3.98Å; W491-M542 HydrophobicContact CH2-SD 4.37Å; W491-M542 HydrophobicContact CZ2-CB 4.1Å; W491-M542 HydrophobicContact CZ2-CG 4.25Å; W491-M542 HydrophobicContact CZ2-SD 3.75Å; W491-M542 HydrophobicContact CZ3-CB 3.81Å
492	V	69.7	Low	66.9	Low	5 Å²	5	53 Å²	53	3%	0.03	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.9	178.1	-178.7	0	0	0	0	108.4	Q480 V490 L494 V541 F543	Q480-V492 HydrophobicContact CB-CG1 4.31Å; V490-V492 HydrophobicContact CG1-CG2 4.04Å; V490-V492 HydrophobicContact CG2-CG2 4.33Å; V492-L494 HydrophobicContact CG1-CD2 3.73Å; V492-L494 HydrophobicContact CG1-CG 4.47Å; V492-V541 PolarHBondContact N-O 2.87Å; V492-V541 PolarHBondContact O-N 3.42Å; V492-F543 HydrophobicContact CB-CD2 4.1Å; V492-F543 HydrophobicContact CB-CE2 3.76Å; V492-F543 HydrophobicContact CG1-CE2 4.34Å; V492-F543 HydrophobicContact CG2-CD2 3.58Å; V492-F543 HydrophobicContact CG2-CE2 3.69Å
493	T	74.8	Confident	67.1	Low	20 Å²	20	52 Å²	52	12%	0.123	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.2	170.9	-57.8	0	0	0	0	108.6	Q480 H481 E538 I540	Q480-T493 CarbonylContact C-O 3.54Å; Q480-T493 WeakPolarHBondContact CA-O 3.4Å; H481-T493 PolarHBondContact N-O 3.27Å; H481-T493 PolarHBondContact O-N 2.74Å; T493-E538 HydrophobicContact CG2-CG 3.57Å; T493-E538 WeakPolarHBondContact CG2-OE1 3.27Å; T493-I540 HydrophobicContact CG2-CG1 4.46Å
494	L	77.5	Confident	67.7	Low	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.1	177	-54.4	178.1	0	0	0	108.1	F478 Q480 V492 W496 I514 E538 A539 V541 L574	F478-L494 HydrophobicContact CE2-CB 4.18Å; F478-L494 HydrophobicContact CE2-CD2 4.08Å; F478-L494 HydrophobicContact CZ-CD2 4.01Å; Q480-L494 HydrophobicContact CB-CD2 3.95Å; V492-L494 HydrophobicContact CG1-CD2 3.73Å; V492-L494 HydrophobicContact CG1-CG 4.47Å; L494-W496 HydrophobicContact CB-CH2 3.31Å; L494-W496 HydrophobicContact CB-CZ2 3.86Å; L494-W496 HydrophobicContact CB-CZ3 3.7Å; L494-W496 HydrophobicContact CD1-CH2 3.78Å; L494-W496 HydrophobicContact CD1-CZ2 4.2Å; L494-W496 HydrophobicContact CG-CH2 4.19Å; L494-W496 WeakPolarHBondContact O-CZ3 3.37Å; L494-I514 HydrophobicContact CD1-CD1 4.2Å; L494-E538 CarbonylContact O-C 3.59Å; L494-E538 WeakPolarHBondContact O-CA 3.18Å; L494-A539 HydrophobicContact CB-CB 4.29Å; L494-A539 PolarHBondContact N-O 3.45Å; L494-A539 PolarHBondContact O-N 2.97Å; L494-V541 HydrophobicContact CD1-CG2 3.87Å; L494-L574 HydrophobicContact CD1-CD2 3.95Å; L494-L574 HydrophobicContact CD2-CD2 3.48Å; L494-L574 VanDerWaalsContact CD2-CD2 3.48Å; L494-L574 HydrophobicContact CG-CD2 4.39Å
495	T	77.7	Confident	68.2	Low	34 Å²	34	52.2 Å²	52.2	21%	0.209	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.1	-178.7	-48	0	0	0	0	110.4	F478 T479 L537	F478-T495 WeakPolarHBondContact CA-O 3.49Å; T479-T495 PolarHBondContact N-O 2.86Å; T479-T495 PolarHBondContact O-N 2.79Å; T479-T495 WeakPolarHBondContact OG1-CB 3.37Å; T495-L537 CarbonylContact C-O 3.48Å; T495-L537 WeakPolarHBondContact CA-O 3.18Å
496	W	81.8	Confident	68.8	Low	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.4	174.2	-57.9	-94.2	0	0	0	109.4	F475 F478 L494 I512 S536 L537 A539 A556 I558 Y572	F475-W496 HydrophobicContact CB-CB 4.06Å; F475-W496 HydrophobicContact CD1-CB 3.77Å; F475-W496 HydrophobicContact CG-CB 4.12Å; F478-W496 AromaticContact CD2-CD1 3.55Å; F478-W496 HydrophobicContact CD2-CD2 4.21Å; F478-W496 AromaticContact CD2-CE2 3.56Å; F478-W496 HydrophobicContact CD2-CG 4.2Å; F478-W496 HydrophobicContact CD2-CZ2 4.13Å; F478-W496 AromaticContact CD2-NE1 3.1Å; F478-W496 AromaticContact CE2-CE2 3.74Å; F478-W496 AromaticContact CE2-CZ2 3.81Å; F478-W496 HydrophobicContact CE2-CZ2 3.81Å; F478-W496 AromaticContact CE2-NE1 3.68Å; F478-W496 AromaticContact CG-NE1 3.86Å; L494-W496 HydrophobicContact CB-CH2 3.31Å; L494-W496 HydrophobicContact CB-CZ2 3.86Å; L494-W496 HydrophobicContact CB-CZ3 3.7Å; L494-W496 HydrophobicContact CD1-CH2 3.78Å; L494-W496 HydrophobicContact CD1-CZ2 4.2Å; L494-W496 HydrophobicContact CG-CH2 4.19Å; L494-W496 WeakPolarHBondContact O-CZ3 3.37Å; W496-I512 HydrophobicContact CH2-CD1 4.11Å; W496-I512 HydrophobicContact CH2-CG2 4.21Å; W496-I512 HydrophobicContact CZ3-CD1 3.8Å; W496-S536 CarbonylContact O-C 3.5Å; W496-S536 VanDerWaalsContact O-CA 3.24Å; W496-S536 WeakPolarHBondContact O-CA 3.44Å; W496-L537 HydrophobicContact CB-CB 4.35Å; W496-L537 HydrophobicContact CE3-CB 4.18Å; W496-L537 HydrophobicContact CE3-CD2 4.08Å; W496-L537 HydrophobicContact CE3-CG 3.97Å; W496-L537 HydrophobicContact CZ3-CG 4.43Å; W496-L537 PolarHBondContact N-O 3.42Å; W496-L537 PolarHBondContact O-N 2.9Å; W496-A539 HydrophobicContact CH2-CB 3.94Å; W496-A539 HydrophobicContact CZ3-CB 3.67Å; W496-A556 HydrophobicContact CZ2-CB 3.95Å; W496-I558 HydrophobicContact CB-CD1 4.46Å; W496-I558 HydrophobicContact CD2-CD1 3.66Å; W496-I558 HydrophobicContact CE3-CD1 4.29Å; W496-I558 HydrophobicContact CG-CD1 3.71Å; W496-I558 HydrophobicContact CZ2-CD1 4.28Å; W496-Y572 AromaticContact CD1-CD2 3.83Å; W496-Y572 AromaticContact CD1-CE2 3.56Å; W496-Y572 AromaticContact CD1-CZ 3.78Å; W496-Y572 AromaticContact NE1-CD2 3.22Å; W496-Y572 AromaticContact NE1-CE2 3.45Å; W496-Y572 AromaticContact NE1-CG 3.67Å
497	Q	80.2	Confident	69.9	Low	93 Å²	93	55.5 Å²	55.5	44%	0.435	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	146.3	172.1	-65.4	-176.3	-21.6	0	0	109.5	F475 S476 N477 A499	F475-Q497 CarbonylContact C-O 3.57Å; F475-Q497 WeakPolarHBondContact CA-O 3.24Å; S476-Q497 PolarHBondContact N-O 2.81Å; S476-Q497 PolarHBondContact O-N 2.81Å; S476-Q497 VanDerWaalsContact O-O 3.11Å; N477-Q497 HydrophobicContact CB-CB 4.23Å; N477-Q497 HydrophobicContact CB-CG 4.22Å; N477-Q497 PolarHBondContact ND2-OE1 2.94Å; Q497-A499 PolarHBondContact O-N 3.2Å
498	L	76.1	Confident	71.1	Confident	26 Å²	26	59.1 Å²	59.1	14%	0.136	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	130.3	169.8	-74.3	168.5	0	0	0	109.5	I474 F475 D500 M503 V504 I507 S535	I474-L498 HydrophobicContact CG2-CD2 3.89Å; F475-L498 HydrophobicContact CD1-CD2 3.94Å; F475-L498 HydrophobicContact CD1-CG 4.44Å; F475-L498 HydrophobicContact CE1-CD2 3.57Å; F475-L498 HydrophobicContact CE1-CG 4.18Å; F475-L498 HydrophobicContact CZ-CD2 4.09Å; L498-D500 PolarHBondContact O-N 3.45Å; L498-M503 HydrophobicContact CD2-CB 4.49Å; L498-V504 HydrophobicContact CD1-CB 4.39Å; L498-V504 HydrophobicContact CD1-CG2 3.29Å; L498-I507 HydrophobicContact CD2-CD1 3.64Å; L498-S535 PolarHBondContact N-O 3.49Å
499	A	74.5	Confident	72.1	Confident	53 Å²	53	55.6 Å²	55.6	44%	0.438	28%	0.28	S	S	.	.	S	Bend	trans	-64.9	-28.4	179.4	0	0	0	0	0	112.2	D473 I474 S476 Q497	D473-A499 WeakPolarHBondContact O-CB 3.45Å; I474-A499 PolarHBondContact O-N 2.9Å; S476-A499 WeakPolarHBondContact OG-CA 3.42Å; Q497-A499 PolarHBondContact O-N 3.2Å
500	D	70.6	Confident	72.6	Confident	87 Å²	87	58.1 Å²	58.1	47%	0.465	29%	0.292	S	S	.	.			trans	-139.4	125.8	174.6	177.3	4.3	0	0	0	109.1	L498 G502 M503	L498-D500 PolarHBondContact O-N 3.45Å; D500-G502 PolarHBondContact O-N 3.12Å; D500-G502 PolarHBondContact OD1-N 3.06Å; D500-M503 HydrophobicContact CB-CG 3.98Å; D500-M503 WeakPolarHBondContact O-CB 3.42Å; D500-M503 PolarHBondContact O-N 3.39Å
501	K	66.1	Low	72.8	Confident	167 Å²	167	62.6 Å²	62.6	73%	0.726	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-59.1	-25.7	177.2	-67.3	-175.1	179.1	-177.6	0	112	M503 V504	K501-M503 PolarHBondContact O-N 3.19Å; K501-V504 VanDerWaalsContact O-CG2 3.31Å; K501-V504 WeakPolarHBondContact O-CG2 2.93Å
502	G	65.7	Low	72.8	Confident	40 Å²	40	60 Å²	60	41%	0.412	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-70.3	-11.6	174.3	0	0	0	0	0	114.7	D500	D500-G502 PolarHBondContact O-N 3.12Å; D500-G502 PolarHBondContact OD1-N 3.06Å
503	M	70.4	Confident	72.9	Confident	23 Å²	23	63.4 Å²	63.4	11%	0.113	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-77	-20.1	177.8	-68.7	-68.8	178.5	0	0	113.2	I471 L498 D500 K501 D505 R506 I507	I471-M503 HydrophobicContact CD1-CE 3.98Å; I471-M503 HydrophobicContact CG1-CE 4.34Å; I471-M503 HydrophobicContact CG2-CE 4.05Å; L498-M503 HydrophobicContact CD2-CB 4.49Å; D500-M503 HydrophobicContact CB-CG 3.98Å; D500-M503 WeakPolarHBondContact O-CB 3.42Å; D500-M503 PolarHBondContact O-N 3.39Å; K501-M503 PolarHBondContact O-N 3.19Å; M503-D505 PolarHBondContact O-N 3.17Å; M503-R506 PolarHBondContact O-N 3.32Å; M503-I507 WeakPolarHBondContact O-CG1 3.42Å; M503-I507 PolarHBondContact O-N 2.98Å; M503-I507 VanDerWaalsContact O-N 3.13Å
504	V	68.5	Low	72.8	Confident	55 Å²	55	63.1 Å²	63.1	33%	0.333	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-52.1	-45	178.4	179.3	0	0	0	0	110.8	L498 K501 R506 S534	L498-V504 HydrophobicContact CD1-CB 4.39Å; L498-V504 HydrophobicContact CD1-CG2 3.29Å; K501-V504 VanDerWaalsContact O-CG2 3.31Å; K501-V504 WeakPolarHBondContact O-CG2 2.93Å; V504-R506 VanDerWaalsContact C-N 3.25Å; V504-R506 PolarHBondContact O-N 3.5Å; V504-S534 WeakPolarHBondContact CG2-O 2.98Å
505	D	68.7	Low	72.5	Confident	119 Å²	119	66 Å²	66	64%	0.636	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-76.5	-11.7	-178	-67.5	-36.4	0	0	0	113.5	M503 K563	M503-D505 PolarHBondContact O-N 3.17Å; D505-K563 VanDerWaalsContact O-CD 3.25Å; D505-K563 WeakPolarHBondContact O-CD 3.5Å; D505-K563 WeakPolarHBondContact O-CE 3.38Å; D505-K563 PolarHBondContact O-NZ 3.16Å
506	R	73	Confident	72.1	Confident	104 Å²	104	67.1 Å²	67.1	39%	0.392	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-98.6	-17.4	179.6	-59.3	-171.8	73.8	-179.4	-0.4	113.1	M503 V504 L562 K563 D564	M503-R506 PolarHBondContact O-N 3.32Å; V504-R506 VanDerWaalsContact C-N 3.25Å; V504-R506 PolarHBondContact O-N 3.5Å; R506-L562 HydrophobicContact CB-CD2 4.49Å; R506-L562 CarbonylContact O-C 3.58Å; R506-L562 VanDerWaalsContact O-CA 3.29Å; R506-L562 WeakPolarHBondContact O-CA 3.5Å; R506-K563 PolarHBondContact O-N 3.31Å; R506-D564 IonicContact NH2-OD2 2.68Å; R506-D564 PolarHBondContact NH2-OD2 3.47Å
507	I	72.7	Confident	71.2	Confident	32 Å²	32	69.5 Å²	69.5	16%	0.164	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.7	178.4	-65.3	165.7	0	0	0	109.5	I474 L498 M503 T560 L562	I474-I507 HydrophobicContact CG2-CD1 3.96Å; L498-I507 HydrophobicContact CD2-CD1 3.64Å; M503-I507 WeakPolarHBondContact O-CG1 3.42Å; M503-I507 PolarHBondContact O-N 2.98Å; M503-I507 VanDerWaalsContact O-N 3.13Å; I507-T560 HydrophobicContact CB-CG2 4.4Å; I507-T560 HydrophobicContact CD1-CG2 4.36Å; I507-T560 HydrophobicContact CG1-CG2 3.86Å; I507-T560 HydrophobicContact CG2-CG2 3.84Å; I507-L562 HydrophobicContact CG1-CD2 4.16Å
508	R	76.1	Confident	70.2	Confident	188 Å²	188	70.7 Å²	70.7	71%	0.709	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	-51.6	172.3	-179.6	-176.2	177.7	179.2	-1.3	110.5	N561 K563	R508-N561 WeakPolarHBondContact CB-O 2.99Å; R508-N561 PolarHBondContact N-O 3.45Å; R508-K563 HydrophobicContact CB-CG 4.28Å
509	D	73.6	Confident	69.3	Low	63 Å²	63	77.1 Å²	77.1	34%	0.337	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	167.6	177.5	62.4	62.6	0	0	0	110.3	N561	D509-N561 PolarHBondContact N-O 3.41Å; D509-N561 PolarHBondContact O-N 3.36Å; D509-N561 WeakPolarHBondContact OD1-CB 3.02Å; D509-N561 PolarHBondContact OD1-ND2 2.02Å
510	H	72.2	Confident	68.6	Low	54 Å²	54	75.7 Å²	75.7	25%	0.25	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	152.9	176.3	59.6	-75.1	0	0	0	110	L531 L537 I558 Q559 T560	H510-L531 VanDerWaalsContact CE1-CD1 3.41Å; H510-L531 WeakPolarHBondContact CE1-CD1 3.47Å; H510-L537 WeakPolarHBondContact NE2-CD1 3.1Å; H510-I558 HydrophobicContact CB-CG2 4.37Å; H510-Q559 CarbonylContact C-O 3.53Å; H510-Q559 WeakPolarHBondContact CA-O 3.4Å; H510-T560 HydrophobicContact CB-CG2 4.44Å
511	H	69.4	Low	67.4	Low	94 Å²	94	77.8 Å²	77.8	44%	0.435	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	128.8	179	-176.5	-72	0	0	0	110.3	K513 Q559	H511-K513 VanDerWaalsContact CE1-CG 3.43Å; H511-K513 WeakPolarHBondContact CE1-CG 3.4Å; H511-K513 WeakPolarHBondContact ND1-CG 3.16Å; H511-Q559 PolarHBondContact N-O 3.01Å; H511-Q559 PolarHBondContact O-N 3.05Å
512	I	69	Low	66.3	Low	3 Å²	3	72.8 Å²	72.8	2%	0.015	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.4	-179	-52.5	175	0	0	0	109.8	W496 F529 L537 A539 Q557 I558	W496-I512 HydrophobicContact CH2-CD1 4.11Å; W496-I512 HydrophobicContact CH2-CG2 4.21Å; W496-I512 HydrophobicContact CZ3-CD1 3.8Å; I512-F529 HydrophobicContact CB-CD1 4.2Å; I512-F529 HydrophobicContact CB-CE1 3.55Å; I512-F529 HydrophobicContact CB-CZ 3.83Å; I512-F529 HydrophobicContact CD1-CD1 3.73Å; I512-F529 HydrophobicContact CD1-CE1 3.89Å; I512-F529 HydrophobicContact CG1-CD1 4.39Å; I512-F529 HydrophobicContact CG1-CE1 4.22Å; I512-F529 HydrophobicContact CG2-CE1 3.86Å; I512-F529 HydrophobicContact CG2-CZ 4.32Å; I512-L537 HydrophobicContact CD1-CD1 4.43Å; I512-L537 HydrophobicContact CD1-CD2 3.83Å; I512-L537 HydrophobicContact CD1-CG 4.12Å; I512-L537 HydrophobicContact CG1-CD2 4.29Å; I512-A539 HydrophobicContact CD1-CB 3.83Å; I512-Q557 CarbonylContact C-O 3.59Å; I512-Q557 WeakPolarHBondContact CA-O 2.97Å; I512-I558 HydrophobicContact CG1-CG1 4.43Å
513	K	72.4	Confident	65.2	Low	77 Å²	77	74.6 Å²	74.6	34%	0.335	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	144.7	172.9	-71	175.6	177.9	161.2	0	109.5	H511 L515 A556 Q557	H511-K513 VanDerWaalsContact CE1-CG 3.43Å; H511-K513 WeakPolarHBondContact CE1-CG 3.4Å; H511-K513 WeakPolarHBondContact ND1-CG 3.16Å; K513-L515 HydrophobicContact CB-CD2 4.34Å; K513-A556 CarbonylContact O-C 3.59Å; K513-A556 WeakPolarHBondContact O-CA 3.12Å; K513-Q557 HydrophobicContact CB-CB 4.34Å; K513-Q557 PolarHBondContact N-O 3.09Å; K513-Q557 PolarHBondContact O-N 2.84Å
514	I	73.4	Confident	63.8	Low	14 Å²	14	79.1 Å²	79.1	7%	0.072	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.2	167.2	-54.3	-63.3	0	0	0	104.3	L494 F523 V541 F543 L554 K555 A556 L574	L494-I514 HydrophobicContact CD1-CD1 4.2Å; I514-F523 HydrophobicContact CB-CE1 4.46Å; I514-F523 HydrophobicContact CB-CE2 4.27Å; I514-F523 HydrophobicContact CB-CZ 3.62Å; I514-F523 HydrophobicContact CG1-CZ 4.37Å; I514-F523 HydrophobicContact CG2-CE2 3.76Å; I514-F523 HydrophobicContact CG2-CZ 3.63Å; I514-V541 HydrophobicContact CD1-CG2 4.37Å; I514-V541 HydrophobicContact CG1-CG1 4.48Å; I514-F543 HydrophobicContact CG2-CE1 4.36Å; I514-L554 HydrophobicContact CG2-CB 4.39Å; I514-L554 HydrophobicContact CG2-CD1 4.32Å; I514-K555 CarbonylContact C-O 3.5Å; I514-K555 WeakPolarHBondContact CA-O 3.26Å; I514-A556 HydrophobicContact CD1-CB 4.1Å; I514-L574 HydrophobicContact CD1-CD1 4Å; I514-L574 HydrophobicContact CG2-CD1 4.06Å
515	L	70.6	Confident	62.6	Low	61 Å²	61	77.3 Å²	77.3	32%	0.319	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	138	-177.9	-59.7	175.6	0	0	0	108.1	K513 L554 K555 Q557	K513-L515 HydrophobicContact CB-CD2 4.34Å; L515-L554 WeakPolarHBondContact O-CA 3.25Å; L515-K555 HydrophobicContact CB-CB 4.43Å; L515-K555 PolarHBondContact N-O 3.34Å; L515-K555 PolarHBondContact O-N 3.04Å; L515-Q557 HydrophobicContact CD1-CB 3.74Å; L515-Q557 HydrophobicContact CD1-CG 4.33Å; L515-Q557 HydrophobicContact CG-CB 4.19Å
516	N	70.2	Confident	61.1	Low	56 Å²	56	76 Å²	76	30%	0.299	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.9	171.3	-167.2	2	0	0	0	109.2	E518 C520 Q553 L554	N516-E518 PolarHBondContact ND2-O 2.83Å; N516-E518 PolarHBondContact OD1-N 3.39Å; N516-E518 PolarHBondContact OD1-O 3.36Å; N516-C520 WeakPolarHBondContact ND2-CA 3.35Å; N516-C520 WeakPolarHBondContact ND2-CB 3.31Å; N516-C520 PolarHBondContact ND2-N 2.87Å; N516-C520 PolarHBondContact ND2-O 3.41Å; N516-Q553 PolarHBondContact OD1-O 3.17Å; N516-L554 HydrophobicContact CB-CD2 4.18Å
517	T	61.5	Low	59.8	Low	51 Å²	51	74.6 Å²	74.6	31%	0.313	38%	0.384	S	S	.	.	S	Bend	trans	-91.4	-12.9	179.1	53.4	0	0	0	0	113.6	Q553 K555	T517-Q553 PolarHBondContact N-O 2.89Å; T517-Q553 WeakPolarHBondContact OG1-CB 3Å; T517-Q553 PolarHBondContact OG1-O 3Å; T517-K555 HydrophobicContact CG2-CD 3.52Å; T517-K555 HydrophobicContact CG2-CG 3.86Å
518	E	60.1	Low	58	Low	117 Å²	117	79.2 Å²	79.2	55%	0.547	41%	0.405	S	S	.	.	S	Bend	trans	-142	163.2	179.9	-65.9	-176.5	166.3	0	0	110.7	N516 C520	N516-E518 PolarHBondContact ND2-O 2.83Å; N516-E518 PolarHBondContact OD1-N 3.39Å; N516-E518 PolarHBondContact OD1-O 3.36Å; E518-C520 VanDerWaalsContact C-N 3.29Å; E518-C520 PolarHBondContact O-N 2.84Å
519	N	56.8	Low	56.3	Low	162 Å²	162	74.4 Å²	74.4	87%	0.866	39%	0.389	S	S	*	.			trans	-64.2	76.8	-174.8	-74.8	-9.8	0	0	0	113.7
520	C	58.7	Low	54.3	Low	23 Å²	23	74.5 Å²	74.5	16%	0.155	40%	0.399	C	S	.	.			trans	-95.9	92.9	162.9	-60.2	0	0	0	0	109.7	N516 E518 C552	N516-C520 WeakPolarHBondContact ND2-CA 3.35Å; N516-C520 WeakPolarHBondContact ND2-CB 3.31Å; N516-C520 PolarHBondContact ND2-N 2.87Å; N516-C520 PolarHBondContact ND2-O 3.41Å; E518-C520 VanDerWaalsContact C-N 3.29Å; E518-C520 PolarHBondContact O-N 2.84Å; C520-C552 HydrophobicContact CB-CB 4.12Å; C520-C552 WeakPolarHBondContact CB-SG 3.28Å; C520-C552 WeakPolarHBondContact SG-CB 3.24Å; C520-C552 CovalentContact SG-SG 2.03Å; C520-C552 PolarHBondContact SG-SG 3.36Å
521	D	46.2	Very low	52.4	Low	130 Å²	130	77.9 Å²	77.9	70%	0.695	42%	0.418	S	S	*	.			trans	-64.4	133.3	172.7	-64.4	-31.8	0	0	0	110.9	R550	D521-R550 PolarHBondContact O-NH1 3.22Å
522	G	43.5	Very low	50.8	Low	63 Å²	63	78.6 Å²	78.6	65%	0.649	42%	0.42	S	S	*	.			trans	99.8	38.5	174.4	0	0	0	0	0	115.8	D524	G522-D524 PolarHBondContact O-N 2.95Å
523	F	42	Very low	49.4	Very low	77 Å²	77	86 Å²	86	34%	0.338	45%	0.454	S	S	.	.			trans	-70.5	106	176	-172.9	-94.5	0	0	0	111.4	I514 S525 I547	I514-F523 HydrophobicContact CB-CE1 4.46Å; I514-F523 HydrophobicContact CB-CE2 4.27Å; I514-F523 HydrophobicContact CB-CZ 3.62Å; I514-F523 HydrophobicContact CG1-CZ 4.37Å; I514-F523 HydrophobicContact CG2-CE2 3.76Å; I514-F523 HydrophobicContact CG2-CZ 3.63Å; F523-S525 WeakPolarHBondContact CE1-OG 3.37Å; F523-S525 VanDerWaalsContact CZ-CB 3.45Å; F523-S525 WeakPolarHBondContact CZ-OG 3.27Å; F523-I547 HydrophobicContact CD2-CD1 4.02Å; F523-I547 HydrophobicContact CE2-CD1 4.32Å
524	D	42.2	Very low	48.4	Very low	119 Å²	119	87 Å²	87	64%	0.636	47%	0.471	S	S	*	.			trans	-121.6	95.8	170.7	-156.5	-0.6	0	0	0	108.6	G522	G522-D524 PolarHBondContact O-N 2.95Å
525	S	42.7	Very low	47.9	Very low	17 Å²	17	88.7 Å²	88.7	12%	0.119	48%	0.484	C	S	.	.			trans	-108.6	110.4	175.1	74.2	0	0	0	0	109.4	F523 K527	F523-S525 WeakPolarHBondContact CE1-OG 3.37Å; F523-S525 VanDerWaalsContact CZ-CB 3.45Å; F523-S525 WeakPolarHBondContact CZ-OG 3.27Å; S525-K527 PolarHBondContact O-N 2.91Å; S525-K527 VanDerWaalsContact OG-CE 3.3Å; S525-K527 WeakPolarHBondContact OG-CE 3.4Å
526	N	37.2	Very low	47.9	Very low	90 Å²	90	87 Å²	87	48%	0.481	48%	0.478	S	S	.	.			trans	-67	112.9	164.2	-80.4	-29	0	0	0	108.3
527	K	45.2	Very low	48	Very low	76 Å²	76	84.5 Å²	84.5	33%	0.33	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	113.5	-175.9	-76.1	167.5	171.8	-174.7	0	110	S525 F529	S525-K527 PolarHBondContact O-N 2.91Å; S525-K527 VanDerWaalsContact OG-CE 3.3Å; S525-K527 WeakPolarHBondContact OG-CE 3.4Å; K527-F529 HydrophobicContact CB-CD2 4.27Å; K527-F529 HydrophobicContact CB-CE1 4.4Å; K527-F529 HydrophobicContact CB-CE2 3.56Å; K527-F529 HydrophobicContact CB-CZ 3.66Å; K527-F529 HydrophobicContact CD-CE2 3.87Å; K527-F529 HydrophobicContact CD-CZ 3.6Å; K527-F529 HydrophobicContact CG-CE1 4.46Å; K527-F529 HydrophobicContact CG-CE2 4.05Å; K527-F529 HydrophobicContact CG-CZ 3.68Å
528	H	35.3	Very low	48.4	Very low	128 Å²	128	83.7 Å²	83.7	59%	0.593	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.9	162.6	-72.3	-64.5	0	0	0	108.9	I540	H528-I540 PolarHBondContact N-O 3.05Å; H528-I540 PolarHBondContact O-N 3.1Å
529	F	40.5	Very low	48.7	Very low	87 Å²	87	78.1 Å²	78.1	38%	0.382	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.7	177.3	-57.7	-62.2	0	0	0	108.9	I512 K527 A539	I512-F529 HydrophobicContact CB-CD1 4.2Å; I512-F529 HydrophobicContact CB-CE1 3.55Å; I512-F529 HydrophobicContact CB-CZ 3.83Å; I512-F529 HydrophobicContact CD1-CD1 3.73Å; I512-F529 HydrophobicContact CD1-CE1 3.89Å; I512-F529 HydrophobicContact CG1-CD1 4.39Å; I512-F529 HydrophobicContact CG1-CE1 4.22Å; I512-F529 HydrophobicContact CG2-CE1 3.86Å; I512-F529 HydrophobicContact CG2-CZ 4.32Å; K527-F529 HydrophobicContact CB-CD2 4.27Å; K527-F529 HydrophobicContact CB-CE1 4.4Å; K527-F529 HydrophobicContact CB-CE2 3.56Å; K527-F529 HydrophobicContact CB-CZ 3.66Å; K527-F529 HydrophobicContact CD-CE2 3.87Å; K527-F529 HydrophobicContact CD-CZ 3.6Å; K527-F529 HydrophobicContact CG-CE1 4.46Å; K527-F529 HydrophobicContact CG-CE2 4.05Å; K527-F529 HydrophobicContact CG-CZ 3.68Å; F529-A539 HydrophobicContact CD1-CB 3.59Å; F529-A539 HydrophobicContact CE1-CB 3.82Å
530	A	31.9	Very low	49.1	Very low	66 Å²	66	73.3 Å²	73.3	55%	0.545	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	120.8	174	0	0	0	0	0	109.1	K532 E538	A530-K532 PolarHBondContact O-N 2.63Å; A530-E538 PolarHBondContact N-O 2.71Å
531	L	31.5	Very low	49.5	Very low	124 Å²	124	72.2 Å²	72.2	65%	0.649	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	120.9	166.5	-105.4	158.4	0	0	0	108.3	H510 L537	H510-L531 VanDerWaalsContact CE1-CD1 3.41Å; H510-L531 WeakPolarHBondContact CE1-CD1 3.47Å; L531-L537 HydrophobicContact CD2-CD1 4.25Å; L531-L537 HydrophobicContact CG-CD1 4.08Å
532	K	35.9	Very low	50.4	Low	109 Å²	109	66.8 Å²	66.8	47%	0.474	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	104.8	178.4	-152.5	178.1	-172.5	-177.7	0	108.3	A530 S536 E538	A530-K532 PolarHBondContact O-N 2.63Å; K532-S536 PolarHBondContact O-OG 3.45Å; K532-E538 HydrophobicContact CB-CB 4.31Å; K532-E538 WeakPolarHBondContact CD-OE2 3.47Å; K532-E538 IonicContact NZ-OE1 2.93Å; K532-E538 IonicContact NZ-OE2 3.37Å; K532-E538 PolarHBondContact NZ-OE2 3.47Å
533	E	39.7	Very low	51.8	Low	159 Å²	159	63.9 Å²	63.9	74%	0.743	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	156	171.2	-59	177.5	175	0	0	115.2	S535 S536	E533-S535 PolarHBondContact O-N 3.14Å; E533-S536 PolarHBondContact O-N 3.37Å
534	S	51.4	Low	52.9	Low	97 Å²	97	61.2 Å²	61.2	68%	0.678	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	18.8	-165.9	48.5	0	0	0	0	116.7	V504	V504-S534 WeakPolarHBondContact CG2-O 2.98Å
535	S	63.8	Low	54.1	Low	50 Å²	50	56.7 Å²	56.7	35%	0.35	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.5	-4.7	-177.1	50.3	0	0	0	0	114.9	L498 E533	L498-S535 PolarHBondContact N-O 3.49Å; E533-S535 PolarHBondContact O-N 3.14Å
536	S	69.7	Low	55.1	Low	27 Å²	27	63.3 Å²	63.3	19%	0.189	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	150.4	-174.6	42.4	0	0	0	0	113.2	W496 K532 E533	W496-S536 CarbonylContact O-C 3.5Å; W496-S536 VanDerWaalsContact O-CA 3.24Å; W496-S536 WeakPolarHBondContact O-CA 3.44Å; K532-S536 PolarHBondContact O-OG 3.45Å; E533-S536 PolarHBondContact O-N 3.37Å
537	L	72.1	Confident	56.6	Low	3 Å²	3	59.4 Å²	59.4	2%	0.016	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.3	172	-178.8	64.1	0	0	0	108.1	F475 T495 W496 H510 I512 L531 I558	F475-L537 HydrophobicContact CE1-CB 3.88Å; F475-L537 HydrophobicContact CE1-CD2 4.05Å; F475-L537 HydrophobicContact CE2-CD2 4.5Å; F475-L537 HydrophobicContact CZ-CB 4.48Å; F475-L537 HydrophobicContact CZ-CD2 3.88Å; T495-L537 CarbonylContact C-O 3.48Å; T495-L537 WeakPolarHBondContact CA-O 3.18Å; W496-L537 HydrophobicContact CB-CB 4.35Å; W496-L537 HydrophobicContact CE3-CB 4.18Å; W496-L537 HydrophobicContact CE3-CD2 4.08Å; W496-L537 HydrophobicContact CE3-CG 3.97Å; W496-L537 HydrophobicContact CZ3-CG 4.43Å; W496-L537 PolarHBondContact N-O 3.42Å; W496-L537 PolarHBondContact O-N 2.9Å; H510-L537 WeakPolarHBondContact NE2-CD1 3.1Å; I512-L537 HydrophobicContact CD1-CD1 4.43Å; I512-L537 HydrophobicContact CD1-CD2 3.83Å; I512-L537 HydrophobicContact CD1-CG 4.12Å; I512-L537 HydrophobicContact CG1-CD2 4.29Å; L531-L537 HydrophobicContact CD2-CD1 4.25Å; L531-L537 HydrophobicContact CG-CD1 4.08Å; L537-I558 HydrophobicContact CD2-CD1 4.05Å; L537-I558 HydrophobicContact CD2-CG2 4.37Å
538	E	70.2	Confident	57.8	Low	34 Å²	34	56.2 Å²	56.2	16%	0.159	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.9	178.1	-165.8	-179.7	135.4	0	0	109.8	T493 L494 A530 K532	T493-E538 HydrophobicContact CG2-CG 3.57Å; T493-E538 WeakPolarHBondContact CG2-OE1 3.27Å; L494-E538 CarbonylContact O-C 3.59Å; L494-E538 WeakPolarHBondContact O-CA 3.18Å; A530-E538 PolarHBondContact N-O 2.71Å; K532-E538 HydrophobicContact CB-CB 4.31Å; K532-E538 WeakPolarHBondContact CD-OE2 3.47Å; K532-E538 IonicContact NZ-OE1 2.93Å; K532-E538 IonicContact NZ-OE2 3.37Å; K532-E538 PolarHBondContact NZ-OE2 3.47Å
539	A	66.5	Low	59.4	Low	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.4	172.7	0	0	0	0	0	110	L494 W496 I512 F529	L494-A539 HydrophobicContact CB-CB 4.29Å; L494-A539 PolarHBondContact N-O 3.45Å; L494-A539 PolarHBondContact O-N 2.97Å; W496-A539 HydrophobicContact CH2-CB 3.94Å; W496-A539 HydrophobicContact CZ3-CB 3.67Å; I512-A539 HydrophobicContact CD1-CB 3.83Å; F529-A539 HydrophobicContact CD1-CB 3.59Å; F529-A539 HydrophobicContact CE1-CB 3.82Å
540	I	64.6	Low	60.8	Low	60 Å²	60	59.4 Å²	59.4	31%	0.308	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.9	176.7	-61.8	175.2	0	0	0	107.4	W491 T493 H528	W491-I540 HydrophobicContact CE3-CG2 3.49Å; W491-I540 VanDerWaalsContact CE3-CG2 3.49Å; W491-I540 HydrophobicContact CZ3-CG2 3.91Å; T493-I540 HydrophobicContact CG2-CG1 4.46Å; H528-I540 PolarHBondContact N-O 3.05Å; H528-I540 PolarHBondContact O-N 3.1Å
541	V	68.7	Low	62.6	Low	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.1	-175	-173.3	0	0	0	0	109.3	V492 L494 I514 F543	V492-V541 PolarHBondContact N-O 2.87Å; V492-V541 PolarHBondContact O-N 3.42Å; L494-V541 HydrophobicContact CD1-CG2 3.87Å; I514-V541 HydrophobicContact CD1-CG2 4.37Å; I514-V541 HydrophobicContact CG1-CG1 4.48Å; V541-F543 HydrophobicContact CB-CE2 4.38Å; V541-F543 HydrophobicContact CB-CZ 4.26Å; V541-F543 HydrophobicContact CG1-CD1 4.41Å; V541-F543 HydrophobicContact CG1-CE1 3.92Å; V541-F543 HydrophobicContact CG1-CE2 4.28Å; V541-F543 HydrophobicContact CG1-CZ 3.84Å
542	M	65.1	Low	64.5	Low	16 Å²	16	53.4 Å²	53.4	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.1	169.5	-171.7	-179.7	68.2	0	0	109.7	V490 W491	V490-M542 CarbonylContact O-C 3.41Å; V490-M542 WeakPolarHBondContact O-CA 3.36Å; W491-M542 HydrophobicContact CD2-CB 3.97Å; W491-M542 HydrophobicContact CD2-CG 4.24Å; W491-M542 HydrophobicContact CE3-CB 3.78Å; W491-M542 HydrophobicContact CH2-CB 3.98Å; W491-M542 HydrophobicContact CH2-SD 4.37Å; W491-M542 HydrophobicContact CZ2-CB 4.1Å; W491-M542 HydrophobicContact CZ2-CG 4.25Å; W491-M542 HydrophobicContact CZ2-SD 3.75Å; W491-M542 HydrophobicContact CZ3-CB 3.81Å
543	F	72.3	Confident	66.4	Low	2 Å²	2	53.7 Å²	53.7	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.8	169.4	-61.1	-71.3	0	0	0	109.3	G489 V490 V492 I514 V541 I547 L548 L554 L574 L576	G489-F543 CarbonylContact C-O 3.48Å; G489-F543 WeakPolarHBondContact CA-O 3.22Å; V490-F543 HydrophobicContact CG1-CB 4.07Å; V490-F543 HydrophobicContact CG1-CD2 4.36Å; V490-F543 PolarHBondContact N-O 3.31Å; V490-F543 PolarHBondContact O-N 3.14Å; V492-F543 HydrophobicContact CB-CD2 4.1Å; V492-F543 HydrophobicContact CB-CE2 3.76Å; V492-F543 HydrophobicContact CG1-CE2 4.34Å; V492-F543 HydrophobicContact CG2-CD2 3.58Å; V492-F543 HydrophobicContact CG2-CE2 3.69Å; I514-F543 HydrophobicContact CG2-CE1 4.36Å; V541-F543 HydrophobicContact CB-CE2 4.38Å; V541-F543 HydrophobicContact CB-CZ 4.26Å; V541-F543 HydrophobicContact CG1-CD1 4.41Å; V541-F543 HydrophobicContact CG1-CE1 3.92Å; V541-F543 HydrophobicContact CG1-CE2 4.28Å; V541-F543 HydrophobicContact CG1-CZ 3.84Å; F543-I547 HydrophobicContact CD1-CG2 4.44Å; F543-L548 HydrophobicContact CB-CD2 4.28Å; F543-L554 HydrophobicContact CD1-CD1 3.69Å; F543-L554 HydrophobicContact CE1-CD1 3.43Å; F543-L554 VanDerWaalsContact CE1-CD1 3.43Å; F543-L554 HydrophobicContact CZ-CD1 4.36Å; F543-L574 HydrophobicContact CE1-CD1 4.48Å; F543-L574 HydrophobicContact CZ-CD1 4Å; F543-L576 HydrophobicContact CB-CD2 4.28Å; F543-L576 HydrophobicContact CD1-CD2 3.93Å; F543-L576 HydrophobicContact CD2-CD2 3.64Å; F543-L576 HydrophobicContact CE1-CD2 4.16Å; F543-L576 HydrophobicContact CE2-CD2 3.87Å; F543-L576 HydrophobicContact CG-CD2 3.67Å; F543-L576 HydrophobicContact CZ-CD2 4.13Å
544	S	64.9	Low	68.2	Low	22 Å²	22	46.4 Å²	46.4	15%	0.154	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	155.1	179.9	69.8	0	0	0	0	112	E488 K546 I547 L548	E488-S544 CarbonylContact O-C 3.58Å; E488-S544 VanDerWaalsContact O-CA 3.31Å; E488-S544 WeakPolarHBondContact O-CA 3.46Å; S544-K546 PolarHBondContact O-N 3.02Å; S544-K546 VanDerWaalsContact O-N 3.11Å; S544-I547 WeakPolarHBondContact O-CB 3.44Å; S544-I547 PolarHBondContact O-N 3.17Å; S544-L548 PolarHBondContact O-N 2.84Å
545	N	66.4	Low	69.6	Low	23 Å²	23	46.2 Å²	46.2	12%	0.123	24%	0.235	C	C	.	.	H	α-helix	trans	-55.3	-30.8	175.7	-78.7	-34.5	0	0	0	113	P487 E488 I547 L548 Q549 R582	P487-N545 PolarHBondContact O-ND2 2.92Å; E488-N545 PolarHBondContact O-N 3.4Å; N545-I547 VanDerWaalsContact C-N 3.34Å; N545-I547 PolarHBondContact O-N 3.08Å; N545-L548 PolarHBondContact O-N 2.8Å; N545-Q549 WeakPolarHBondContact O-CB 3.48Å; N545-Q549 VanDerWaalsContact O-CG 3.27Å; N545-Q549 WeakPolarHBondContact O-CG 3.23Å; N545-Q549 PolarHBondContact O-N 2.99Å; N545-R582 VanDerWaalsContact CG-NH2 3.25Å; N545-R582 PolarHBondContact ND2-NH2 3.13Å; N545-R582 VanDerWaalsContact ND2-NH2 3.13Å; N545-R582 PolarHBondContact OD1-NH2 2.05Å; N545-R582 VanDerWaalsContact OD1-NH2 3.08Å
546	K	65.5	Low	70.4	Confident	156 Å²	156	43.8 Å²	43.8	68%	0.678	22%	0.219	S	C	*	.	H	α-helix	trans	-61.5	-39.7	175.5	-68.7	-178.3	179.6	176.2	0	112.6	S544 R550	S544-K546 PolarHBondContact O-N 3.02Å; S544-K546 VanDerWaalsContact O-N 3.11Å; K546-R550 WeakPolarHBondContact O-CG 3.3Å; K546-R550 PolarHBondContact O-N 3.23Å
547	I	68.1	Low	70.9	Confident	9 Å²	9	44.2 Å²	44.2	5%	0.046	22%	0.218	C	C	.	.	H	α-helix	trans	-70.8	-41.7	178.9	-66.2	173.1	0	0	0	110.3	F523 F543 S544 N545 C552 L554 L576	F523-I547 HydrophobicContact CD2-CD1 4.02Å; F523-I547 HydrophobicContact CE2-CD1 4.32Å; F543-I547 HydrophobicContact CD1-CG2 4.44Å; S544-I547 WeakPolarHBondContact O-CB 3.44Å; S544-I547 PolarHBondContact O-N 3.17Å; N545-I547 VanDerWaalsContact C-N 3.34Å; N545-I547 PolarHBondContact O-N 3.08Å; I547-C552 HydrophobicContact CG2-CB 4.07Å; I547-L554 HydrophobicContact CG2-CD1 3.88Å; I547-L576 HydrophobicContact CG2-CD1 3.83Å
548	L	69.7	Low	71.3	Confident	9 Å²	9	44.1 Å²	44.1	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-65.3	-44.2	179.5	-60.7	174.5	0	0	0	112.1	W485 V490 F543 S544 N545 R550 G551 L576 P577 T579	W485-L548 HydrophobicContact CE3-CD1 4.3Å; W485-L548 HydrophobicContact CH2-CD1 4.16Å; W485-L548 HydrophobicContact CZ3-CD1 3.57Å; V490-L548 HydrophobicContact CB-CD1 4.14Å; V490-L548 HydrophobicContact CG1-CD1 3.69Å; V490-L548 HydrophobicContact CG1-CD2 3.79Å; V490-L548 HydrophobicContact CG1-CG 4.26Å; F543-L548 HydrophobicContact CB-CD2 4.28Å; S544-L548 PolarHBondContact O-N 2.84Å; N545-L548 PolarHBondContact O-N 2.8Å; L548-R550 VanDerWaalsContact C-N 3.33Å; L548-R550 PolarHBondContact O-N 3.32Å; L548-G551 PolarHBondContact O-N 3.15Å; L548-L576 HydrophobicContact CD2-CB 4.15Å; L548-L576 HydrophobicContact CD2-CD1 4.48Å; L548-L576 HydrophobicContact CD2-CD2 4.19Å; L548-P577 HydrophobicContact CD2-CG 4.22Å; L548-T579 HydrophobicContact CB-CG2 3.89Å
549	Q	70	Confident	71.8	Confident	130 Å²	130	44.8 Å²	44.8	61%	0.607	22%	0.22	S	C	*	.	H	α-helix	trans	-66.4	-32.7	-180	-75.4	173.2	-16.5	0	0	113.3	N545 G551 T579	N545-Q549 WeakPolarHBondContact O-CB 3.48Å; N545-Q549 VanDerWaalsContact O-CG 3.27Å; N545-Q549 WeakPolarHBondContact O-CG 3.23Å; N545-Q549 PolarHBondContact O-N 2.99Å; Q549-G551 VanDerWaalsContact C-N 3.27Å; Q549-G551 PolarHBondContact O-N 2.79Å; Q549-T579 HydrophobicContact CG-CG2 4.12Å
550	R	70	Confident	72.4	Confident	151 Å²	151	44.8 Å²	44.8	57%	0.57	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.5	179.3	-75	-177.2	175.3	-176.7	-0.1	113.8	D521 K546 L548 C552	D521-R550 PolarHBondContact O-NH1 3.22Å; K546-R550 WeakPolarHBondContact O-CG 3.3Å; K546-R550 PolarHBondContact O-N 3.23Å; L548-R550 VanDerWaalsContact C-N 3.33Å; L548-R550 PolarHBondContact O-N 3.32Å; R550-C552 VanDerWaalsContact C-N 3.26Å; R550-C552 PolarHBondContact O-N 3.03Å
551	G	69.1	Low	73.1	Confident	57 Å²	57	44.7 Å²	44.7	59%	0.588	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	32.4	-178.3	0	0	0	0	0	113.3	L548 Q549 Q553	L548-G551 PolarHBondContact O-N 3.15Å; Q549-G551 VanDerWaalsContact C-N 3.27Å; Q549-G551 PolarHBondContact O-N 2.79Å; G551-Q553 PolarHBondContact O-N 3.34Å
552	C	71.2	Confident	73.6	Confident	8 Å²	8	44.9 Å²	44.9	5%	0.054	22%	0.222	C	C	.	.			trans	-59.3	132.6	-175.1	-61.6	0	0	0	0	112.1	C520 I547 R550 L554 L576	C520-C552 HydrophobicContact CB-CB 4.12Å; C520-C552 WeakPolarHBondContact CB-SG 3.28Å; C520-C552 WeakPolarHBondContact SG-CB 3.24Å; C520-C552 CovalentContact SG-SG 2.03Å; C520-C552 PolarHBondContact SG-SG 3.36Å; I547-C552 HydrophobicContact CG2-CB 4.07Å; R550-C552 VanDerWaalsContact C-N 3.26Å; R550-C552 PolarHBondContact O-N 3.03Å; C552-L554 HydrophobicContact CB-CD2 4.27Å; C552-L554 HydrophobicContact CB-CG 4.38Å; C552-L576 VanDerWaalsContact O-CD1 3.24Å; C552-L576 WeakPolarHBondContact O-CD1 3.14Å
553	Q	76.6	Confident	74.2	Confident	115 Å²	115	51 Å²	51	54%	0.537	25%	0.247	S	C	.	.			trans	-82.7	118.2	170.2	-69.6	-173	19.1	0	0	109.8	N516 T517 G551	N516-Q553 PolarHBondContact OD1-O 3.17Å; T517-Q553 PolarHBondContact N-O 2.89Å; T517-Q553 WeakPolarHBondContact OG1-CB 3Å; T517-Q553 PolarHBondContact OG1-O 3Å; G551-Q553 PolarHBondContact O-N 3.34Å
554	L	76.4	Confident	74.4	Confident	6 Å²	6	55.1 Å²	55.1	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	149.7	-176.8	-58.6	-179.3	0	0	0	111.6	I514 L515 N516 F543 I547 C552 L574 L576	I514-L554 HydrophobicContact CG2-CB 4.39Å; I514-L554 HydrophobicContact CG2-CD1 4.32Å; L515-L554 WeakPolarHBondContact O-CA 3.25Å; N516-L554 HydrophobicContact CB-CD2 4.18Å; F543-L554 HydrophobicContact CD1-CD1 3.69Å; F543-L554 HydrophobicContact CE1-CD1 3.43Å; F543-L554 VanDerWaalsContact CE1-CD1 3.43Å; F543-L554 HydrophobicContact CZ-CD1 4.36Å; I547-L554 HydrophobicContact CG2-CD1 3.88Å; C552-L554 HydrophobicContact CB-CD2 4.27Å; C552-L554 HydrophobicContact CB-CG 4.38Å; L554-L574 HydrophobicContact CB-CB 4.19Å; L554-L574 HydrophobicContact CB-CD1 3.76Å; L554-L574 WeakPolarHBondContact O-CB 3.31Å; L554-L574 PolarHBondContact O-N 3.48Å; L554-L576 HydrophobicContact CD1-CD1 4.02Å; L554-L576 HydrophobicContact CD1-CD2 4.17Å; L554-L576 HydrophobicContact CD1-CG 4.43Å; L554-L576 HydrophobicContact CG-CD1 4.33Å
555	K	81.6	Confident	74.8	Confident	92 Å²	92	57 Å²	57	40%	0.4	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.7	174.3	-69.3	175.6	178.1	164.7	0	110.5	I514 L515 T517 T571 Y572	I514-K555 CarbonylContact C-O 3.5Å; I514-K555 WeakPolarHBondContact CA-O 3.26Å; L515-K555 HydrophobicContact CB-CB 4.43Å; L515-K555 PolarHBondContact N-O 3.34Å; L515-K555 PolarHBondContact O-N 3.04Å; T517-K555 HydrophobicContact CG2-CD 3.52Å; T517-K555 HydrophobicContact CG2-CG 3.86Å; K555-T571 HydrophobicContact CB-CG2 3.88Å; K555-T571 HydrophobicContact CD-CG2 3.98Å; K555-T571 HydrophobicContact CG-CG2 4.32Å; K555-Y572 CarbonylContact C-O 3.43Å; K555-Y572 VanDerWaalsContact CA-O 3.3Å; K555-Y572 WeakPolarHBondContact CA-O 3.41Å
556	A	79.6	Confident	75.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.3	167	0	0	0	0	0	109.6	W496 K513 I514 T571 Y572 L574	W496-A556 HydrophobicContact CZ2-CB 3.95Å; K513-A556 CarbonylContact O-C 3.59Å; K513-A556 WeakPolarHBondContact O-CA 3.12Å; I514-A556 HydrophobicContact CD1-CB 4.1Å; A556-T571 CarbonylContact O-C 3.39Å; A556-T571 WeakPolarHBondContact O-CA 3.35Å; A556-Y572 PolarHBondContact N-O 3.3Å; A556-Y572 PolarHBondContact O-N 2.61Å; A556-L574 HydrophobicContact CB-CD1 4.3Å; A556-L574 HydrophobicContact CB-CD2 4.16Å; A556-L574 HydrophobicContact CB-CG 4.28Å
557	Q	80.9	Confident	75.9	Confident	36 Å²	36	55.9 Å²	55.9	17%	0.168	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.5	176.2	180	-177.5	74.1	0	0	109.4	I512 K513 L515 Q559 T569 N570	I512-Q557 CarbonylContact C-O 3.59Å; I512-Q557 WeakPolarHBondContact CA-O 2.97Å; K513-Q557 HydrophobicContact CB-CB 4.34Å; K513-Q557 PolarHBondContact N-O 3.09Å; K513-Q557 PolarHBondContact O-N 2.84Å; L515-Q557 HydrophobicContact CD1-CB 3.74Å; L515-Q557 HydrophobicContact CD1-CG 4.33Å; L515-Q557 HydrophobicContact CG-CB 4.19Å; Q557-Q559 HydrophobicContact CG-CG 4.32Å; Q557-T569 HydrophobicContact CG-CG2 3.54Å; Q557-N570 CarbonylContact C-O 3.59Å; Q557-N570 WeakPolarHBondContact CA-O 3.44Å
558	I	79.6	Confident	76.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.8	172.6	-50.5	175.6	0	0	0	108.1	F475 W496 H510 I512 L537 T569 N570 Y572	F475-I558 HydrophobicContact CD2-CD1 3.88Å; F475-I558 HydrophobicContact CD2-CG2 4.28Å; F475-I558 HydrophobicContact CE2-CD1 4.2Å; F475-I558 HydrophobicContact CE2-CG2 3.79Å; F475-I558 HydrophobicContact CG-CD1 4.23Å; W496-I558 HydrophobicContact CB-CD1 4.46Å; W496-I558 HydrophobicContact CD2-CD1 3.66Å; W496-I558 HydrophobicContact CE3-CD1 4.29Å; W496-I558 HydrophobicContact CG-CD1 3.71Å; W496-I558 HydrophobicContact CZ2-CD1 4.28Å; H510-I558 HydrophobicContact CB-CG2 4.37Å; I512-I558 HydrophobicContact CG1-CG1 4.43Å; L537-I558 HydrophobicContact CD2-CD1 4.05Å; L537-I558 HydrophobicContact CD2-CG2 4.37Å; I558-T569 WeakPolarHBondContact O-CA 3.39Å; I558-N570 PolarHBondContact N-O 3.09Å; I558-N570 PolarHBondContact O-N 2.71Å; I558-Y572 HydrophobicContact CD1-CD2 4.46Å; I558-Y572 HydrophobicContact CD1-CE2 3.9Å; I558-Y572 HydrophobicContact CG1-CE2 4.35Å
559	Q	81.5	Confident	76.9	Confident	48 Å²	48	58.9 Å²	58.9	22%	0.224	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	117.7	170.5	-63	-170.9	-58.3	0	0	107.8	H510 H511 Q557 L567 T569	H510-Q559 CarbonylContact C-O 3.53Å; H510-Q559 WeakPolarHBondContact CA-O 3.4Å; H511-Q559 PolarHBondContact N-O 3.01Å; H511-Q559 PolarHBondContact O-N 3.05Å; Q557-Q559 HydrophobicContact CG-CG 4.32Å; Q559-L567 HydrophobicContact CB-CD1 4.2Å; Q559-T569 HydrophobicContact CG-CG2 4.45Å
560	T	78	Confident	77.4	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.7	-176.8	-51.1	0	0	0	0	109.7	I474 I507 H510 L562 V568	I474-T560 HydrophobicContact CD1-CG2 3.74Å; I507-T560 HydrophobicContact CB-CG2 4.4Å; I507-T560 HydrophobicContact CD1-CG2 4.36Å; I507-T560 HydrophobicContact CG1-CG2 3.86Å; I507-T560 HydrophobicContact CG2-CG2 3.84Å; H510-T560 HydrophobicContact CB-CG2 4.44Å; T560-L562 HydrophobicContact CG2-CD2 4.34Å; T560-V568 PolarHBondContact N-O 2.91Å; T560-V568 PolarHBondContact O-N 3.4Å
561	N	78.9	Confident	77.9	Confident	59 Å²	59	49 Å²	49	32%	0.316	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.7	171.1	-69.5	-42.6	0	0	0	109	R508 D509 L567	R508-N561 WeakPolarHBondContact CB-O 2.99Å; R508-N561 PolarHBondContact N-O 3.45Å; D509-N561 PolarHBondContact N-O 3.41Å; D509-N561 PolarHBondContact O-N 3.36Å; D509-N561 WeakPolarHBondContact OD1-CB 3.02Å; D509-N561 PolarHBondContact OD1-ND2 2.02Å; N561-L567 VanDerWaalsContact OD1-CD1 3.3Å; N561-L567 WeakPolarHBondContact OD1-CD1 3.45Å
562	L	79.9	Confident	78.6	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	157.2	173.1	-60.7	-176.4	0	0	0	110.7	I471 I474 R506 I507 T560 D564 G565 S566 V568	I471-L562 HydrophobicContact CD1-CD1 4.41Å; I474-L562 HydrophobicContact CD1-CD2 3.92Å; R506-L562 HydrophobicContact CB-CD2 4.49Å; R506-L562 CarbonylContact O-C 3.58Å; R506-L562 VanDerWaalsContact O-CA 3.29Å; R506-L562 WeakPolarHBondContact O-CA 3.5Å; I507-L562 HydrophobicContact CG1-CD2 4.16Å; T560-L562 HydrophobicContact CG2-CD2 4.34Å; L562-D564 VanDerWaalsContact CB-OD1 3.31Å; L562-D564 WeakPolarHBondContact CB-OD1 3.45Å; L562-D564 PolarHBondContact O-N 2.94Å; L562-G565 PolarHBondContact O-N 3.44Å; L562-S566 PolarHBondContact N-O 3.05Å; L562-V568 HydrophobicContact CD1-CG2 4.17Å
563	K	78.1	Confident	79.1	Confident	143 Å²	143	51.8 Å²	51.8	62%	0.622	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.4	177.5	-72.4	-176.3	-176.5	167.9	0	113.2	D505 R506 R508 G565	D505-K563 VanDerWaalsContact O-CD 3.25Å; D505-K563 WeakPolarHBondContact O-CD 3.5Å; D505-K563 WeakPolarHBondContact O-CE 3.38Å; D505-K563 PolarHBondContact O-NZ 3.16Å; R506-K563 PolarHBondContact O-N 3.31Å; R508-K563 HydrophobicContact CB-CG 4.28Å; K563-G565 PolarHBondContact O-N 3.04Å
564	D	76	Confident	79.2	Confident	89 Å²	89	47 Å²	47	48%	0.476	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	1.5	175.1	58.9	28.4	0	0	0	113.7	R506 L562 S566	R506-D564 IonicContact NH2-OD2 2.68Å; R506-D564 PolarHBondContact NH2-OD2 3.47Å; L562-D564 VanDerWaalsContact CB-OD1 3.31Å; L562-D564 WeakPolarHBondContact CB-OD1 3.45Å; L562-D564 PolarHBondContact O-N 2.94Å; D564-S566 WeakPolarHBondContact OD1-CB 3.36Å; D564-S566 PolarHBondContact OD1-N 3.35Å; D564-S566 PolarHBondContact OD1-OG 2.59Å
565	G	74.1	Confident	79.1	Confident	63 Å²	63	54 Å²	54	65%	0.649	30%	0.297	S	S	*	.	S	Bend	trans	88.6	-4.7	179.5	0	0	0	0	0	114.6	L562 K563	L562-G565 PolarHBondContact O-N 3.44Å; K563-G565 PolarHBondContact O-N 3.04Å
566	S	74.6	Confident	78.6	Confident	57 Å²	57	51.4 Å²	51.4	40%	0.399	29%	0.287	S	S	.	.			trans	-69.9	137	177	-48.4	0	0	0	0	111.3	L562 D564	L562-S566 PolarHBondContact N-O 3.05Å; D564-S566 WeakPolarHBondContact OD1-CB 3.36Å; D564-S566 PolarHBondContact OD1-N 3.35Å; D564-S566 PolarHBondContact OD1-OG 2.59Å
567	L	79.1	Confident	77.8	Confident	98 Å²	98	52.5 Å²	52.5	51%	0.513	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122	171.7	176.2	67.9	0	0	0	109.7	Q559 N561	Q559-L567 HydrophobicContact CB-CD1 4.2Å; N561-L567 VanDerWaalsContact OD1-CD1 3.3Å; N561-L567 WeakPolarHBondContact OD1-CD1 3.45Å
568	V	79.9	Confident	76.7	Confident	19 Å²	19	53 Å²	53	12%	0.115	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.5	174.9	-178	0	0	0	0	109.5	I474 T560 L562	I474-V568 HydrophobicContact CD1-CB 3.51Å; I474-V568 HydrophobicContact CD1-CG1 3.76Å; I474-V568 HydrophobicContact CD1-CG2 3.78Å; I474-V568 HydrophobicContact CG1-CB 4.28Å; I474-V568 HydrophobicContact CG1-CG1 4Å; I474-V568 HydrophobicContact CG1-CG2 4.48Å; T560-V568 PolarHBondContact N-O 2.91Å; T560-V568 PolarHBondContact O-N 3.4Å; L562-V568 HydrophobicContact CD1-CG2 4.17Å
569	T	80.1	Confident	75.3	Confident	61 Å²	61	55.8 Å²	55.8	37%	0.374	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	115.9	179.9	-59.3	0	0	0	0	110.2	Q557 I558 Q559	Q557-T569 HydrophobicContact CG-CG2 3.54Å; I558-T569 WeakPolarHBondContact O-CA 3.39Å; Q559-T569 HydrophobicContact CG-CG2 4.45Å
570	N	80.6	Confident	73.2	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.032	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.1	174	-64.6	104.6	0	0	0	109.6	R472 D473 Q557 I558 Y572	R472-N570 PolarHBondContact O-ND2 3.26Å; D473-N570 PolarHBondContact OD1-ND2 3.48Å; D473-N570 VanDerWaalsContact OD1-ND2 3.07Å; Q557-N570 CarbonylContact C-O 3.59Å; Q557-N570 WeakPolarHBondContact CA-O 3.44Å; I558-N570 PolarHBondContact N-O 3.09Å; I558-N570 PolarHBondContact O-N 2.71Å; N570-Y572 HydrophobicContact CB-CE2 3.66Å; N570-Y572 WeakPolarHBondContact CB-OH 3.36Å
571	T	80.1	Confident	71.2	Confident	69 Å²	69	65 Å²	65	42%	0.423	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.2	-177.2	-52.7	0	0	0	0	110.3	K555 A556	K555-T571 HydrophobicContact CB-CG2 3.88Å; K555-T571 HydrophobicContact CD-CG2 3.98Å; K555-T571 HydrophobicContact CG-CG2 4.32Å; A556-T571 CarbonylContact O-C 3.39Å; A556-T571 WeakPolarHBondContact O-CA 3.35Å
572	Y	82.7	Confident	69.2	Low	30 Å²	30	67.6 Å²	67.6	12%	0.118	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.8	-175.6	-57.1	-86.6	0	0	0	110.2	F475 F478 W496 K555 A556 I558 N570	F475-Y572 WeakPolarHBondContact CB-OH 3.38Å; F475-Y572 PolarHBondContact O-OH 3.23Å; F478-Y572 HydrophobicContact CB-CD1 3.55Å; F478-Y572 HydrophobicContact CB-CE1 3.9Å; F478-Y572 HydrophobicContact CB-CG 4.21Å; F478-Y572 HydrophobicContact CD1-CD1 4.15Å; F478-Y572 HydrophobicContact CD1-CG 4.28Å; F478-Y572 HydrophobicContact CD2-CG 4.41Å; F478-Y572 AromaticContact CG-CD1 3.84Å; F478-Y572 HydrophobicContact CG-CD1 3.84Å; F478-Y572 HydrophobicContact CG-CG 4.03Å; W496-Y572 AromaticContact CD1-CD2 3.83Å; W496-Y572 AromaticContact CD1-CE2 3.56Å; W496-Y572 AromaticContact CD1-CZ 3.78Å; W496-Y572 AromaticContact NE1-CD2 3.22Å; W496-Y572 AromaticContact NE1-CE2 3.45Å; W496-Y572 AromaticContact NE1-CG 3.67Å; K555-Y572 CarbonylContact C-O 3.43Å; K555-Y572 VanDerWaalsContact CA-O 3.3Å; K555-Y572 WeakPolarHBondContact CA-O 3.41Å; A556-Y572 PolarHBondContact N-O 3.3Å; A556-Y572 PolarHBondContact O-N 2.61Å; I558-Y572 HydrophobicContact CD1-CD2 4.46Å; I558-Y572 HydrophobicContact CD1-CE2 3.9Å; I558-Y572 HydrophobicContact CG1-CE2 4.35Å; N570-Y572 HydrophobicContact CB-CE2 3.66Å; N570-Y572 WeakPolarHBondContact CB-OH 3.36Å
573	P	82.4	Confident	66.9	Low	92 Å²	92	73.8 Å²	73.8	60%	0.597	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	138.4	172.7	29.3	-32.9	0	0	0	110.4	F478	F478-P573 WeakPolarHBondContact CE1-O 3.35Å
574	L	78.7	Confident	64.7	Low	16 Å²	16	74.8 Å²	74.8	8%	0.084	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132	174	-65.4	166.3	0	0	0	109.1	F478 L494 I514 F543 L554 A556	F478-L574 HydrophobicContact CZ-CD2 3.89Å; L494-L574 HydrophobicContact CD1-CD2 3.95Å; L494-L574 HydrophobicContact CD2-CD2 3.48Å; L494-L574 VanDerWaalsContact CD2-CD2 3.48Å; L494-L574 HydrophobicContact CG-CD2 4.39Å; I514-L574 HydrophobicContact CD1-CD1 4Å; I514-L574 HydrophobicContact CG2-CD1 4.06Å; F543-L574 HydrophobicContact CE1-CD1 4.48Å; F543-L574 HydrophobicContact CZ-CD1 4Å; L554-L574 HydrophobicContact CB-CB 4.19Å; L554-L574 HydrophobicContact CB-CD1 3.76Å; L554-L574 WeakPolarHBondContact O-CB 3.31Å; L554-L574 PolarHBondContact O-N 3.48Å; A556-L574 HydrophobicContact CB-CD1 4.3Å; A556-L574 HydrophobicContact CB-CD2 4.16Å; A556-L574 HydrophobicContact CB-CG 4.28Å
575	Q	74.9	Confident	62.4	Low	151 Å²	151	74 Å²	74	71%	0.706	41%	0.41	S	S	*	.			trans	-99.8	104.2	170	-37.4	175.3	-35.7	0	0	107.8	Q480	Q480-Q575 VanDerWaalsContact NE2-CB 3.26Å; Q480-Q575 PolarHBondContact NE2-O 3.41Å; Q480-Q575 PolarHBondContact OE1-O 3.04Å
576	L	70.5	Confident	60.3	Low	38 Å²	38	74.3 Å²	74.3	20%	0.199	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-68.5	138.3	174.7	-67.7	177.9	0	0	0	109.7	F543 I547 L548 C552 L554 A578	F543-L576 HydrophobicContact CB-CD2 4.28Å; F543-L576 HydrophobicContact CD1-CD2 3.93Å; F543-L576 HydrophobicContact CD2-CD2 3.64Å; F543-L576 HydrophobicContact CE1-CD2 4.16Å; F543-L576 HydrophobicContact CE2-CD2 3.87Å; F543-L576 HydrophobicContact CG-CD2 3.67Å; F543-L576 HydrophobicContact CZ-CD2 4.13Å; I547-L576 HydrophobicContact CG2-CD1 3.83Å; L548-L576 HydrophobicContact CD2-CB 4.15Å; L548-L576 HydrophobicContact CD2-CD1 4.48Å; L548-L576 HydrophobicContact CD2-CD2 4.19Å; C552-L576 VanDerWaalsContact O-CD1 3.24Å; C552-L576 WeakPolarHBondContact O-CD1 3.14Å; L554-L576 HydrophobicContact CD1-CD1 4.02Å; L554-L576 HydrophobicContact CD1-CD2 4.17Å; L554-L576 HydrophobicContact CD1-CG 4.43Å; L554-L576 HydrophobicContact CG-CD1 4.33Å; L576-A578 PolarHBondContact O-N 3.15Å
577	P	63.9	Low	58.1	Low	23 Å²	23	76.5 Å²	76.5	15%	0.149	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-63.9	132.5	174.2	26	-31.6	0	0	0	109.8	W485 V490 L548 T579	W485-P577 HydrophobicContact CH2-CB 3.98Å; W485-P577 HydrophobicContact CH2-CG 3.86Å; W485-P577 HydrophobicContact CZ2-CB 3.62Å; W485-P577 HydrophobicContact CZ2-CG 3.69Å; V490-P577 HydrophobicContact CB-CG 4.45Å; V490-P577 HydrophobicContact CG1-CG 3.82Å; V490-P577 HydrophobicContact CG2-CG 4.2Å; L548-P577 HydrophobicContact CD2-CG 4.22Å; P577-T579 PolarHBondContact O-N 2.9Å
578	A	57.5	Low	55.6	Low	48 Å²	48	77.6 Å²	77.6	40%	0.397	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-62.3	136.9	178.4	0	0	0	0	0	110.4	L576 S580 R581	L576-A578 PolarHBondContact O-N 3.15Å; A578-S580 WeakPolarHBondContact CB-OG 3.06Å; A578-S580 PolarHBondContact O-N 3.1Å; A578-R581 PolarHBondContact O-N 3.06Å
579	T	49.5	Very low	53.1	Low	57 Å²	57	85 Å²	85	35%	0.35	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-59	-24.8	172.8	44.1	0	0	0	0	112.1	L548 Q549 P577 R581 R582	L548-T579 HydrophobicContact CB-CG2 3.89Å; Q549-T579 HydrophobicContact CG-CG2 4.12Å; P577-T579 PolarHBondContact O-N 2.9Å; T579-R581 PolarHBondContact O-N 3.21Å; T579-R582 VanDerWaalsContact O-CB 3.25Å; T579-R582 WeakPolarHBondContact O-CB 3.31Å; T579-R582 PolarHBondContact O-N 3.15Å
580	S	38.7	Very low	50.4	Low	86 Å²	86	92.1 Å²	92.1	60%	0.601	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-64.2	-22.2	173.4	50.9	0	0	0	0	113.8	A578 R582	A578-S580 WeakPolarHBondContact CB-OG 3.06Å; A578-S580 PolarHBondContact O-N 3.1Å; S580-R582 PolarHBondContact O-N 3.46Å
581	R	35.6	Very low	47.9	Very low	157 Å²	157	96.5 Å²	96.5	59%	0.592	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-78.5	-1	171.8	-79.9	-167.6	-176.3	-179.2	2.6	114.4	A578 T579 H583 E584 S585	A578-R581 PolarHBondContact O-N 3.06Å; T579-R581 PolarHBondContact O-N 3.21Å; R581-H583 PolarHBondContact O-N 2.77Å; R581-H583 VanDerWaalsContact O-N 3.12Å; R581-E584 PolarHBondContact O-N 2.88Å; R581-S585 PolarHBondContact O-N 3.49Å; R581-S585 PolarHBondContact O-OG 3.43Å
582	R	36.1	Very low	45.2	Very low	113 Å²	113	96.2 Å²	96.2	43%	0.426	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-54.8	-23.9	165.5	-88.5	-170.8	171.2	-171.9	-1.6	112.1	N545 T579 S580	N545-R582 VanDerWaalsContact CG-NH2 3.25Å; N545-R582 PolarHBondContact ND2-NH2 3.13Å; N545-R582 VanDerWaalsContact ND2-NH2 3.13Å; N545-R582 PolarHBondContact OD1-NH2 2.05Å; N545-R582 VanDerWaalsContact OD1-NH2 3.08Å; T579-R582 VanDerWaalsContact O-CB 3.25Å; T579-R582 WeakPolarHBondContact O-CB 3.31Å; T579-R582 PolarHBondContact O-N 3.15Å; S580-R582 PolarHBondContact O-N 3.46Å
583	H	32.8	Very low	42.5	Very low	134 Å²	134	98.5 Å²	98.5	62%	0.62	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-88.2	-15	-178.5	-75	-81.8	0	0	0	114.9	R581	R581-H583 PolarHBondContact O-N 2.77Å; R581-H583 VanDerWaalsContact O-N 3.12Å
584	E	30.1	Very low	39.8	Very low	163 Å²	163	96.5 Å²	96.5	76%	0.762	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	-6.6	-167	-70	-177.3	163.7	0	0	115.7	R581	R581-E584 PolarHBondContact O-N 2.88Å
585	S	29.6	Very low	37.2	Very low	72 Å²	72	99.6 Å²	99.6	50%	0.503	51%	0.513	S	S	.	.	S	Bend	trans	-136.6	12.3	-177.9	52	0	0	0	0	115.6	R581	R581-S585 PolarHBondContact O-N 3.49Å; R581-S585 PolarHBondContact O-OG 3.43Å
586	E	29.9	Very low	34.9	Very low	70 Å²	70	95.4 Å²	95.4	33%	0.327	50%	0.499	S	S	.	.			trans	-142.8	9.8	-170.4	-153.9	132.3	-107.1	0	0	117	W485 L588	W485-E586 WeakPolarHBondContact CB-OE1 2.97Å; W485-E586 WeakPolarHBondContact CB-OE2 3.31Å; E586-L588 PolarHBondContact O-N 2.96Å
587	S	27.3	Very low	32.8	Very low	103 Å²	103	98.2 Å²	98.2	72%	0.72	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	13.4	170.5	49.7	0	0	0	0	113.9
588	L	27.4	Very low	31	Very low	121 Å²	121	99.6 Å²	99.6	63%	0.634	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	5.7	-166.4	-88.9	159.5	0	0	0	117.1	E586	E586-L588 PolarHBondContact O-N 2.96Å
589	Q	25.9	Very low	29.4	Very low	176 Å²	176	101.2 Å²	101.2	82%	0.822	52%	0.524	S	S	*	.	S	Bend	trans	-134	3.9	170.2	-73.5	-166	-2.6	0	0	117.1	K591	Q589-K591 PolarHBondContact O-N 3.34Å; Q589-K591 VanDerWaalsContact O-N 3.14Å
590	Y	25.1	Very low	28.2	Very low	210 Å²	210	105.4 Å²	105.4	82%	0.824	54%	0.539	S	S	*	.			trans	-81.8	56.1	153.9	-92.9	-89.4	0	0	0	110.2	A592	Y590-A592 PolarHBondContact O-N 2.87Å; Y590-A592 VanDerWaalsContact O-N 3.16Å
591	K	26.7	Very low	27.6	Very low	97 Å²	97	104.8 Å²	104.8	42%	0.422	53%	0.533	S	S	.	.			trans	-84.4	62	156.3	-84.8	-175.8	179.1	171	0	108.1	Q589 F593	Q589-K591 PolarHBondContact O-N 3.34Å; Q589-K591 VanDerWaalsContact O-N 3.14Å; K591-F593 PolarHBondContact O-N 3.32Å
592	A	25	Very low	27.1	Very low	63 Å²	63	103.8 Å²	103.8	52%	0.521	54%	0.544	S	S	.	.			trans	-68	117.3	146	0	0	0	0	0	104.8	Y590 A594	Y590-A592 PolarHBondContact O-N 2.87Å; Y590-A592 VanDerWaalsContact O-N 3.16Å; A592-A594 HydrophobicContact CB-CB 4.3Å; A592-A594 PolarHBondContact O-N 3.49Å
593	F	25.2	Very low	26.6	Very low	78 Å²	78	100.4 Å²	100.4	34%	0.342	54%	0.541	S	S	.	.	S	Bend	trans	-60.5	77.4	155.5	-80.4	-80.1	0	0	0	108	Y92 K591	Y92-F593 HydrophobicContact CD1-CD1 4.18Å; Y92-F593 AromaticContact CD1-CE1 3.08Å; Y92-F593 HydrophobicContact CD1-CE1 3.08Å; Y92-F593 AromaticContact CD1-CZ 3.36Å; Y92-F593 HydrophobicContact CD1-CZ 3.36Å; Y92-F593 HydrophobicContact CD2-CE1 4.13Å; Y92-F593 AromaticContact CD2-CZ 3.62Å; Y92-F593 HydrophobicContact CD2-CZ 3.62Å; Y92-F593 HydrophobicContact CE1-CD1 4.09Å; Y92-F593 AromaticContact CE1-CE1 3.14Å; Y92-F593 HydrophobicContact CE1-CE1 3.14Å; Y92-F593 AromaticContact CE1-CE2 3.99Å; Y92-F593 HydrophobicContact CE1-CE2 3.99Å; Y92-F593 AromaticContact CE1-CZ 3.09Å; Y92-F593 HydrophobicContact CE1-CZ 3.09Å; Y92-F593 HydrophobicContact CE2-CE1 4.2Å; Y92-F593 HydrophobicContact CE2-CE2 4.17Å; Y92-F593 AromaticContact CE2-CZ 3.4Å; Y92-F593 HydrophobicContact CE2-CZ 3.4Å; Y92-F593 AromaticContact CG-CE1 3.56Å; Y92-F593 HydrophobicContact CG-CE1 3.56Å; Y92-F593 AromaticContact CG-CZ 3.56Å; Y92-F593 HydrophobicContact CG-CZ 3.56Å; Y92-F593 AromaticContact CZ-CE1 3.7Å; Y92-F593 AromaticContact CZ-CE2 3.71Å; Y92-F593 AromaticContact CZ-CZ 3.07Å; K591-F593 PolarHBondContact O-N 3.32Å
594	A	24.6	Very low	26.3	Very low	50 Å²	50	100.4 Å²	100.4	41%	0.413	54%	0.539	S	S	.	.			trans	-142.1	79.8	168.2	0	0	0	0	0	103.7	A592 P596	A592-A594 HydrophobicContact CB-CB 4.3Å; A592-A594 PolarHBondContact O-N 3.49Å; A594-P596 WeakPolarHBondContact O-CD 3.5Å; A594-P596 VanDerWaalsContact O-N 3.12Å
595	N	25.7	Very low	26.1	Very low	81 Å²	81	98 Å²	98	43%	0.433	53%	0.531	S	S	.	.			trans	-54.7	116.3	158	-90.7	-27.1	0	0	0	105.7	V95 I597	V95-N595 WeakPolarHBondContact CG2-ND2 3.16Å; N595-I597 VanDerWaalsContact C-N 3.25Å; N595-I597 HydrophobicContact CB-CG1 4.45Å; N595-I597 PolarHBondContact O-N 3.35Å
596	P	26	Very low	26	Very low	64 Å²	64	104.3 Å²	104.3	42%	0.416	56%	0.555	S	S	.	*			trans	-68	101.6	156.6	-3.2	24.1	0	0	0	103.4	A594 C598 L653	A594-P596 WeakPolarHBondContact O-CD 3.5Å; A594-P596 VanDerWaalsContact O-N 3.12Å; P596-C598 PolarHBondContact O-N 3.1Å; P596-L653 HydrophobicContact CB-CD1 4.42Å; P596-L653 HydrophobicContact CB-CD2 4.29Å; P596-L653 HydrophobicContact CG-CD1 3.64Å; P596-L653 HydrophobicContact CG-CD2 3.69Å; P596-L653 HydrophobicContact CG-CG 4.32Å
597	I	26.2	Very low	25.9	Very low	96 Å²	96	110.4 Å²	110.4	49%	0.492	58%	0.575	S	S	.	*			trans	-68.5	90.7	162	-62	177	0	0	0	104.4	N595 I599	N595-I597 VanDerWaalsContact C-N 3.25Å; N595-I597 HydrophobicContact CB-CG1 4.45Å; N595-I597 PolarHBondContact O-N 3.35Å; I597-I599 HydrophobicContact CG2-CG1 4.29Å; I597-I599 PolarHBondContact O-N 2.85Å
598	C	25.4	Very low	26.1	Very low	53 Å²	53	112 Å²	112	36%	0.358	57%	0.574	S	S	.	*			trans	-65.5	111.7	164.9	-69.2	0	0	0	0	106.9	P596 E600 P654 Y655	P596-C598 PolarHBondContact O-N 3.1Å; C598-E600 PolarHBondContact O-N 3.05Å; C598-P654 HydrophobicContact CB-CG 4.3Å; C598-Y655 HydrophobicContact CB-CD2 4.49Å
599	I	24.3	Very low	26.4	Very low	81 Å²	81	111.8 Å²	111.8	42%	0.415	57%	0.569	S	S	.	*			trans	-78.3	117.9	167.4	-63.3	175.4	0	0	0	105.2	I597 V719	I597-I599 HydrophobicContact CG2-CG1 4.29Å; I597-I599 PolarHBondContact O-N 2.85Å; I599-V719 HydrophobicContact CB-CG2 4.48Å; I599-V719 HydrophobicContact CD1-CG2 3.15Å; I599-V719 HydrophobicContact CG1-CG2 4.33Å; I599-V719 HydrophobicContact CG2-CG2 4.04Å
600	E	24.3	Very low	26.7	Very low	145 Å²	145	111 Å²	111	68%	0.678	57%	0.57	S	S	*	*			trans	-51	129.1	167.7	-80.5	-176.6	149.8	0	0	108.2	C598 V602	C598-E600 PolarHBondContact O-N 3.05Å; E600-V602 PolarHBondContact O-N 3.21Å
601	P	25.9	Very low	27.5	Very low	73 Å²	73	102.8 Å²	102.8	47%	0.474	54%	0.539	S	S	.	.			trans	-63.3	108.4	171.3	25	-28.8	0	0	0	107.2	A603	P601-A603 PolarHBondContact O-N 2.99Å
602	V	25.4	Very low	28	Very low	136 Å²	136	103.4 Å²	103.4	82%	0.824	56%	0.555	S	S	*	*			trans	-71.1	71.5	166.5	-173.1	0	0	0	0	107.6	E600	E600-V602 PolarHBondContact O-N 3.21Å
603	A	25.7	Very low	29.1	Very low	43 Å²	43	104.2 Å²	104.2	36%	0.355	55%	0.554	S	S	.	*			trans	-156.7	89.4	166	0	0	0	0	0	108.4	P601 N605	P601-A603 PolarHBondContact O-N 2.99Å; A603-N605 PolarHBondContact O-N 3.49Å
604	K	26	Very low	30.5	Very low	134 Å²	134	102.9 Å²	102.9	58%	0.583	55%	0.554	S	S	*	*			trans	-63	23.4	163.2	-100.8	-175.9	179.1	177	0	113.9	L757	K604-L757 VanDerWaalsContact NZ-CG 3.29Å
605	N	26.9	Very low	32.1	Very low	113 Å²	113	103.1 Å²	103.1	60%	0.604	55%	0.55	S	S	*	*	S	Bend	trans	-131.1	121.6	176.2	-84.6	-28.4	0	0	0	107.8	A603 R607	A603-N605 PolarHBondContact O-N 3.49Å; N605-R607 HydrophobicContact CB-CG 4.34Å; N605-R607 PolarHBondContact O-N 3.47Å
606	M	27.4	Very low	33.5	Very low	204 Å²	204	99.9 Å²	99.9	100%	1.005	53%	0.534	S	S	*	.			trans	-59.9	60.9	167.5	-62.2	-175.3	-145.9	0	0	111.6
607	R	27.2	Very low	34.9	Very low	197 Å²	197	99.7 Å²	99.7	74%	0.743	53%	0.531	S	S	*	.			trans	-108.4	106.6	174.8	-75	-171.5	-178.9	-169.2	1.1	108.1	N605 F609	N605-R607 HydrophobicContact CB-CG 4.34Å; N605-R607 PolarHBondContact O-N 3.47Å; R607-F609 PolarHBondContact O-N 3.29Å; R607-F609 VanDerWaalsContact O-N 3.14Å
608	I	31.5	Very low	36.3	Very low	137 Å²	137	95.2 Å²	95.2	70%	0.703	51%	0.508	S	S	*	.			trans	-40.2	116	162.9	-60.9	163.2	0	0	0	108.3	N610	I608-N610 PolarHBondContact O-N 2.97Å; I608-N610 VanDerWaalsContact O-N 3.15Å
609	F	33.1	Very low	37.4	Very low	117 Å²	117	94.3 Å²	94.3	51%	0.513	50%	0.501	S	S	.	.			trans	-71.9	106.7	176.6	-85.7	-86.5	0	0	0	109.2	R607 F611	R607-F609 PolarHBondContact O-N 3.29Å; R607-F609 VanDerWaalsContact O-N 3.14Å; F609-F611 HydrophobicContact CB-CD2 4.37Å; F609-F611 HydrophobicContact CB-CE2 3.97Å; F609-F611 PolarHBondContact O-N 3.15Å
610	N	33.9	Very low	38.9	Very low	158 Å²	158	91.2 Å²	91.2	85%	0.845	49%	0.486	S	S	*	.			trans	-91.3	96.8	177	-134.3	-4.6	0	0	0	109.2	I608 S612	I608-N610 PolarHBondContact O-N 2.97Å; I608-N610 VanDerWaalsContact O-N 3.15Å; N610-S612 PolarHBondContact O-N 3.5Å
611	F	40.1	Very low	40	Very low	39 Å²	39	86 Å²	86	17%	0.171	46%	0.464	C	S	.	.			trans	-72.5	108.8	175.2	-75.3	-89.7	0	0	0	110.5	F609 T613 L677 R679 Y686 V720	F609-F611 HydrophobicContact CB-CD2 4.37Å; F609-F611 HydrophobicContact CB-CE2 3.97Å; F609-F611 PolarHBondContact O-N 3.15Å; F611-T613 PolarHBondContact O-N 3.04Å; F611-L677 HydrophobicContact CD1-CD1 4.01Å; F611-L677 HydrophobicContact CE1-CD1 4.03Å; F611-L677 HydrophobicContact CG-CD1 4.34Å; F611-L677 HydrophobicContact CZ-CD1 4.38Å; F611-R679 PolarHBondContact O-NH2 2.77Å; F611-R679 VanDerWaalsContact O-NH2 3.17Å; F611-Y686 AromaticContact CD2-CE2 3.86Å; F611-Y686 HydrophobicContact CD2-CE2 3.86Å; F611-Y686 AromaticContact CE2-CD2 3.97Å; F611-Y686 HydrophobicContact CE2-CD2 3.97Å; F611-Y686 AromaticContact CE2-CE2 3.53Å; F611-Y686 HydrophobicContact CE2-CE2 3.53Å; F611-Y686 HydrophobicContact CZ-CD2 4.21Å; F611-Y686 HydrophobicContact CZ-CE2 4.17Å; F611-V720 HydrophobicContact CE1-CG1 4.11Å
612	S	38.6	Very low	41.2	Very low	109 Å²	109	88.1 Å²	88.1	76%	0.762	47%	0.472	S	S	*	.	S	Bend	trans	-66.2	-23.2	175.1	58	0	0	0	0	112.6	N610 R679	N610-S612 PolarHBondContact O-N 3.5Å; S612-R679 VanDerWaalsContact C-NH2 3.32Å; S612-R679 PolarHBondContact O-NH2 2.78Å
613	T	46.8	Very low	42.2	Very low	81 Å²	81	82.6 Å²	82.6	50%	0.497	44%	0.438	S	S	.	.			trans	-110	129.7	176.4	48.1	0	0	0	0	110.7	F611 T615	F611-T613 PolarHBondContact O-N 3.04Å; T613-T615 PolarHBondContact O-N 3.46Å
614	S	56.3	Low	42.7	Very low	49 Å²	49	85.1 Å²	85.1	34%	0.343	44%	0.444	S	S	.	.	S	Bend	trans	-76.7	-5.2	175.9	47.9	0	0	0	0	113.1	D676 L677	S614-D676 CarbonylContact O-C 3.45Å; S614-D676 VanDerWaalsContact O-CA 3.23Å; S614-D676 WeakPolarHBondContact O-CA 3.47Å; S614-L677 PolarHBondContact O-N 3.3Å
615	T	56.7	Low	43.4	Very low	55 Å²	55	86.9 Å²	86.9	34%	0.337	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	132.4	-165.9	-39.6	0	0	0	0	110	T613 Q674 I675 D676	T613-T615 PolarHBondContact O-N 3.46Å; T615-Q674 HydrophobicContact CG2-CB 4.4Å; T615-I675 CarbonylContact C-O 3.44Å; T615-I675 VanDerWaalsContact CA-O 3.3Å; T615-I675 WeakPolarHBondContact CA-O 3.15Å; T615-I675 WeakPolarHBondContact CG2-O 3.46Å; T615-D676 WeakPolarHBondContact CB-OD1 3.46Å; T615-D676 VanDerWaalsContact CG2-OD1 3.24Å; T615-D676 WeakPolarHBondContact CG2-OD1 3.4Å; T615-D676 PolarHBondContact OG1-OD1 3.47Å
616	V	55.9	Low	43.9	Very low	14 Å²	14	90.1 Å²	90.1	9%	0.085	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136	-178.6	179.1	0	0	0	0	109.4	I618 Q674 I675 L677 V720	V616-I618 HydrophobicContact CG1-CG1 4.32Å; V616-Q674 WeakPolarHBondContact O-CA 3.29Å; V616-I675 HydrophobicContact CB-CG1 4.24Å; V616-I675 PolarHBondContact N-O 3.34Å; V616-I675 PolarHBondContact O-N 3.49Å; V616-L677 HydrophobicContact CG2-CD1 3.49Å; V616-L677 VanDerWaalsContact CG2-CD1 3.49Å; V616-L677 HydrophobicContact CG2-CG 3.88Å; V616-V720 HydrophobicContact CG1-CG1 4.13Å; V616-V720 HydrophobicContact CG1-CG2 4.22Å; V616-V720 HydrophobicContact CG2-CG1 4.25Å
617	T	55.6	Low	44.5	Very low	60 Å²	60	81.9 Å²	81.9	37%	0.368	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.6	174.8	-55	0	0	0	0	109.4	R672 V673 Q674	T617-R672 HydrophobicContact CG2-CB 4.44Å; T617-V673 CarbonylContact C-O 3.57Å; T617-V673 WeakPolarHBondContact CA-O 3.38Å; T617-Q674 HydrophobicContact CG2-CG 4.31Å; T617-Q674 WeakPolarHBondContact OG1-CG 3.32Å
618	I	54.7	Low	45.3	Very low	2 Å²	2	77.5 Å²	77.5	1%	0.01	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.1	-178.6	-57.2	-178.2	0	0	0	108.6	V616 R672 V673 I675 V688 Y718	V616-I618 HydrophobicContact CG1-CG1 4.32Å; I618-R672 WeakPolarHBondContact O-CA 3.46Å; I618-V673 HydrophobicContact CB-CG1 3.89Å; I618-V673 PolarHBondContact N-O 3.34Å; I618-V673 PolarHBondContact O-N 3.18Å; I618-I675 HydrophobicContact CD1-CD1 3.53Å; I618-I675 HydrophobicContact CD1-CG1 3.97Å; I618-I675 HydrophobicContact CG1-CD1 4.43Å; I618-I675 HydrophobicContact CG1-CG1 4.42Å; I618-V688 HydrophobicContact CD1-CB 4.3Å; I618-V688 HydrophobicContact CD1-CG1 3.76Å; I618-V688 HydrophobicContact CD1-CG2 3.82Å; I618-Y718 HydrophobicContact CG2-CD2 3.75Å; I618-Y718 HydrophobicContact CG2-CE2 3.71Å; I618-Y718 HydrophobicContact CG2-CG 4.38Å
619	P	49.8	Very low	46	Very low	33 Å²	33	78 Å²	78	21%	0.214	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	139	168.9	29.1	-30.8	0	0	0	110	Y718	P619-Y718 HydrophobicContact CG-CE1 4.19Å; P619-Y718 VanDerWaalsContact O-CZ 3.26Å; P619-Y718 PolarHBondContact O-OH 3.4Å
620	L	54.6	Low	46.6	Very low	16 Å²	16	76.3 Å²	76.3	8%	0.084	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-103.1	133.2	174.4	-60.9	172.5	0	0	0	108.6	L666 T670 S671 V673 I690	L620-L666 HydrophobicContact CD1-CD1 3.5Å; L620-T670 HydrophobicContact CD1-CG2 3.64Å; L620-T670 WeakPolarHBondContact CD1-O 3.46Å; L620-S671 PolarHBondContact N-O 3.15Å; L620-V673 HydrophobicContact CD1-CB 4.49Å; L620-V673 HydrophobicContact CD1-CG1 4.44Å; L620-V673 HydrophobicContact CD2-CG1 4.25Å; L620-V673 HydrophobicContact CG-CG1 4.43Å; L620-I690 HydrophobicContact CD2-CD1 3.43Å; L620-I690 VanDerWaalsContact CD2-CD1 3.43Å; L620-I690 HydrophobicContact CD2-CG1 4.15Å
621	P	48.5	Very low	47.2	Very low	35 Å²	35	72.2 Å²	72.2	23%	0.227	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-66.6	147.2	178.5	25.1	-29.5	0	0	0	110.4	V623 W716	P621-V623 WeakPolarHBondContact O-CG2 3.34Å; P621-V623 PolarHBondContact O-N 2.98Å; P621-W716 HydrophobicContact CB-CD2 4.45Å; P621-W716 HydrophobicContact CB-CZ2 4.17Å; P621-W716 HydrophobicContact CG-CD2 4.09Å; P621-W716 HydrophobicContact CG-CG 3.92Å
622	D	50.5	Low	47.7	Very low	118 Å²	118	71.4 Å²	71.4	63%	0.631	39%	0.387	S	S	*	.			trans	-68.3	105.1	179.1	-153.2	-18.5	0	0	0	109.8	M624	D622-M624 PolarHBondContact O-N 3.06Å
623	V	46	Very low	48.5	Very low	20 Å²	20	72.4 Å²	72.4	12%	0.121	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-76	-16.6	-174.9	-173.6	0	0	0	0	111.1	P621 E625 L627 L637 M668 I692	P621-V623 WeakPolarHBondContact O-CG2 3.34Å; P621-V623 PolarHBondContact O-N 2.98Å; V623-E625 PolarHBondContact O-N 3.22Å; V623-L627 HydrophobicContact CG1-CD1 3.52Å; V623-L637 HydrophobicContact CG2-CD2 4.42Å; V623-M668 HydrophobicContact CB-CE 4.13Å; V623-M668 HydrophobicContact CG1-CE 3.72Å; V623-I692 HydrophobicContact CG1-CD1 4.41Å
624	M	37	Very low	48.9	Very low	96 Å²	96	73.4 Å²	73.4	47%	0.473	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-70.3	-26.4	-173.9	-68.3	-66.9	-58.5	0	0	113.7	D622 R626 L632	D622-M624 PolarHBondContact O-N 3.06Å; M624-R626 VanDerWaalsContact C-N 3.31Å; M624-R626 PolarHBondContact O-N 3.12Å; M624-L632 HydrophobicContact SD-CD1 3.87Å
625	E	39.3	Very low	48.9	Very low	172 Å²	172	73.4 Å²	73.4	80%	0.804	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-76.4	-12.6	-175.3	-76.9	-168.1	156.1	0	0	114.6	V623	V623-E625 PolarHBondContact O-N 3.22Å
626	R	38.5	Very low	49.1	Very low	180 Å²	180	71.6 Å²	71.6	68%	0.679	37%	0.369	S	S	*	.	S	Bend	trans	-123.1	-2.4	-169.2	-71.5	-173.4	173.2	-175.5	-1.7	115.8	M624 L714	M624-R626 VanDerWaalsContact C-N 3.31Å; M624-R626 PolarHBondContact O-N 3.12Å; R626-L714 HydrophobicContact CB-CD1 4.26Å
627	L	39.6	Very low	49.1	Very low	31 Å²	31	71.2 Å²	71.2	16%	0.162	37%	0.366	C	S	.	.	S	Bend	trans	-127.9	134.7	-173.3	-80.2	150.4	0	0	0	110.8	V623 E629 L632 I692 A712	V623-L627 HydrophobicContact CG1-CD1 3.52Å; L627-E629 PolarHBondContact O-N 2.61Å; L627-L632 HydrophobicContact CB-CD1 4.3Å; L627-L632 HydrophobicContact CB-CD2 4.04Å; L627-L632 HydrophobicContact CB-CG 4.27Å; L627-L632 HydrophobicContact CD1-CD2 4.16Å; L627-I692 HydrophobicContact CD1-CD1 4.12Å; L627-A712 HydrophobicContact CD2-CB 4.13Å
628	D	43.9	Very low	49.3	Very low	105 Å²	105	70.5 Å²	70.5	56%	0.561	36%	0.36	S	S	*	.			trans	-57	127.8	172.3	-165.5	-38.2	0	0	0	109.4	S630 L631	D628-S630 VanDerWaalsContact CG-OG 3.25Å; D628-S630 PolarHBondContact O-N 3.24Å; D628-S630 VanDerWaalsContact O-N 3.09Å; D628-S630 PolarHBondContact OD1-N 2.87Å; D628-S630 PolarHBondContact OD1-OG 3.32Å; D628-L631 HydrophobicContact CB-CD1 3.98Å; D628-L631 HydrophobicContact CB-CG 4.37Å; D628-L631 WeakPolarHBondContact O-CB 3.1Å; D628-L631 PolarHBondContact O-N 3.49Å
629	E	47.4	Very low	49.5	Very low	147 Å²	147	70.4 Å²	70.4	69%	0.687	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-53.9	-32.9	-176.8	-74.1	-177.4	154	0	0	112	L627 L631 L632	L627-E629 PolarHBondContact O-N 2.61Å; E629-L631 PolarHBondContact O-N 3.1Å; E629-L632 PolarHBondContact O-N 3.41Å; E629-L632 VanDerWaalsContact O-N 3.07Å
630	S	44.8	Very low	50	Low	82 Å²	82	73.5 Å²	73.5	57%	0.573	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-64.2	-23.2	176.9	63.6	0	0	0	0	114.1	D628	D628-S630 VanDerWaalsContact CG-OG 3.25Å; D628-S630 PolarHBondContact O-N 3.24Å; D628-S630 VanDerWaalsContact O-N 3.09Å; D628-S630 PolarHBondContact OD1-N 2.87Å; D628-S630 PolarHBondContact OD1-OG 3.32Å
631	L	45.8	Very low	50.5	Low	73 Å²	73	73.1 Å²	73.1	38%	0.382	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-86.3	-8.9	176.8	-73.2	165.9	0	0	0	112.6	D628 E629 K635	D628-L631 HydrophobicContact CB-CD1 3.98Å; D628-L631 HydrophobicContact CB-CG 4.37Å; D628-L631 WeakPolarHBondContact O-CB 3.1Å; D628-L631 PolarHBondContact O-N 3.49Å; E629-L631 PolarHBondContact O-N 3.1Å; L631-K635 WeakPolarHBondContact O-CD 3.33Å; L631-K635 WeakPolarHBondContact O-CE 3.09Å; L631-K635 PolarHBondContact O-NZ 2.85Å
632	L	51.1	Low	51	Low	22 Å²	22	71.5 Å²	71.5	12%	0.115	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-14.3	-175.5	-63.5	178.6	0	0	0	113.3	M624 L627 E629 N634 K635 M668	M624-L632 HydrophobicContact SD-CD1 3.87Å; L627-L632 HydrophobicContact CB-CD1 4.3Å; L627-L632 HydrophobicContact CB-CD2 4.04Å; L627-L632 HydrophobicContact CB-CG 4.27Å; L627-L632 HydrophobicContact CD1-CD2 4.16Å; E629-L632 PolarHBondContact O-N 3.41Å; E629-L632 VanDerWaalsContact O-N 3.07Å; L632-N634 PolarHBondContact O-N 2.76Å; L632-K635 PolarHBondContact O-N 3.31Å; L632-M668 HydrophobicContact CD2-CE 3.57Å
633	D	55.3	Low	51.4	Low	129 Å²	129	66.4 Å²	66.4	69%	0.69	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	128.9	176.7	-85.6	-16.6	0	0	0	111.7
634	N	56.3	Low	51.8	Low	103 Å²	103	66.2 Å²	66.2	55%	0.551	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	42.9	-174.8	-60.9	-42.5	0	0	0	114.2	L632 K694 S695	L632-N634 PolarHBondContact O-N 2.76Å; N634-K694 CarbonylContact O-C 3.58Å; N634-K694 WeakPolarHBondContact O-CA 3.29Å; N634-S695 VanDerWaalsContact C-OG 3.27Å; N634-S695 WeakPolarHBondContact CA-OG 2.99Å; N634-S695 PolarHBondContact O-N 3.5Å
635	K	55.8	Low	52.7	Low	49 Å²	49	64.2 Å²	64.2	21%	0.213	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	158.8	172	-65.1	-171.7	-177.9	168.5	0	113.6	L631 L632 M668 I692 T693 K694	L631-K635 WeakPolarHBondContact O-CD 3.33Å; L631-K635 WeakPolarHBondContact O-CE 3.09Å; L631-K635 PolarHBondContact O-NZ 2.85Å; L632-K635 PolarHBondContact O-N 3.31Å; K635-M668 HydrophobicContact CB-SD 4.32Å; K635-M668 VanDerWaalsContact O-CG 3.31Å; K635-M668 WeakPolarHBondContact O-CG 3.17Å; K635-I692 HydrophobicContact CB-CG2 4.16Å; K635-I692 HydrophobicContact CD-CG2 3.72Å; K635-I692 HydrophobicContact CG-CG2 4.44Å; K635-T693 CarbonylContact C-O 3.44Å; K635-T693 WeakPolarHBondContact CA-O 3.32Å; K635-T693 VanDerWaalsContact CB-O 3.28Å; K635-T693 WeakPolarHBondContact CB-O 3.48Å; K635-K694 HydrophobicContact CG-CG 4.42Å
636	S	60	Low	53.2	Low	17 Å²	17	61.4 Å²	61.4	12%	0.119	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	162	178.6	-51.9	0	0	0	0	109.5	I665 T693 S695	S636-I665 VanDerWaalsContact CB-CG2 3.46Å; S636-T693 PolarHBondContact N-O 2.9Å; S636-T693 WeakPolarHBondContact O-CG2 3.45Å; S636-T693 PolarHBondContact O-N 2.89Å; S636-S695 WeakPolarHBondContact OG-CA 3.48Å; S636-S695 WeakPolarHBondContact OG-CB 3.34Å
637	L	57.2	Low	53.9	Low	5 Å²	5	53.8 Å²	53.8	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.9	175.5	-65.1	167.7	0	0	0	109.4	V623 I665 L666 M668 I690 S691 I692	V623-L637 HydrophobicContact CG2-CD2 4.42Å; L637-I665 CarbonylContact O-C 3.52Å; L637-I665 VanDerWaalsContact O-CA 3.28Å; L637-I665 WeakPolarHBondContact O-CA 3.26Å; L637-L666 HydrophobicContact CB-CB 4.09Å; L637-L666 PolarHBondContact N-O 3.46Å; L637-L666 PolarHBondContact O-N 2.94Å; L637-M668 HydrophobicContact CD2-SD 4.17Å; L637-M668 HydrophobicContact CG-SD 3.97Å; L637-I690 HydrophobicContact CD2-CG2 4.15Å; L637-S691 CarbonylContact C-O 3.54Å; L637-S691 WeakPolarHBondContact CA-O 3.48Å; L637-I692 HydrophobicContact CD2-CG1 3.97Å
638	L	58.6	Low	54.4	Low	45 Å²	45	57 Å²	57	24%	0.236	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	111.7	170.7	172.8	69.4	0	0	0	109	W663 I665 I690 S691 T693	L638-W663 HydrophobicContact CD1-CB 4.26Å; L638-W663 HydrophobicContact CD1-CE3 3.98Å; L638-I665 HydrophobicContact CD1-CG1 4.48Å; L638-I690 CarbonylContact O-C 3.57Å; L638-I690 WeakPolarHBondContact O-CA 3.44Å; L638-S691 WeakPolarHBondContact CB-OG 3.23Å; L638-S691 PolarHBondContact N-O 3.09Å; L638-S691 PolarHBondContact O-N 2.92Å; L638-S691 PolarHBondContact O-OG 2.93Å; L638-T693 HydrophobicContact CB-CG2 4.15Å
639	L	59.6	Low	54.3	Low	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.7	170.7	-176.4	77.7	0	0	0	109.3	W641 W663 R664 L666 V673 I675 V688 S689 I690	L639-W641 HydrophobicContact CD2-CE3 3.96Å; L639-W641 HydrophobicContact CD2-CZ3 3.99Å; L639-W641 HydrophobicContact CG-CE3 4.1Å; L639-W641 HydrophobicContact CG-CZ3 4.38Å; L639-W663 CarbonylContact O-C 3.51Å; L639-W663 WeakPolarHBondContact O-CA 3.45Å; L639-W663 WeakPolarHBondContact O-CB 3.3Å; L639-R664 PolarHBondContact N-O 2.92Å; L639-R664 PolarHBondContact O-N 2.93Å; L639-L666 HydrophobicContact CB-CD1 3.96Å; L639-L666 HydrophobicContact CB-CG 4.43Å; L639-L666 HydrophobicContact CD2-CD1 4.32Å; L639-V673 HydrophobicContact CD1-CG1 4.36Å; L639-V673 HydrophobicContact CD2-CB 4.21Å; L639-V673 HydrophobicContact CD2-CG1 3.6Å; L639-V673 HydrophobicContact CD2-CG2 3.66Å; L639-I675 HydrophobicContact CD2-CG2 3.59Å; L639-V688 HydrophobicContact CD1-CG1 3.62Å; L639-S689 CarbonylContact C-O 3.52Å; L639-S689 WeakPolarHBondContact CA-O 3.29Å; L639-I690 HydrophobicContact CD1-CD1 4.35Å; L639-I690 HydrophobicContact CD1-CG1 3.56Å
640	R	60.9	Low	53.9	Low	99 Å²	99	59.4 Å²	59.4	37%	0.374	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.7	170.2	90.3	-166	177.3	-167.8	-6.5	110.2	F657 V661 E662 W663 E687 V688 S689	R640-F657 HydrophobicContact CG-CE2 4.3Å; R640-F657 HydrophobicContact CG-CZ 4.01Å; R640-F657 VanDerWaalsContact NE-CE2 3.33Å; R640-V661 HydrophobicContact CB-CG1 4.24Å; R640-V661 HydrophobicContact CG-CG1 4.43Å; R640-E662 CarbonylContact C-O 3.53Å; R640-E662 VanDerWaalsContact CA-O 3.3Å; R640-E662 WeakPolarHBondContact CA-O 3.41Å; R640-W663 HydrophobicContact CB-CB 4.36Å; R640-E687 IonicContact CZ-OE1 2.69Å; R640-E687 IonicContact NE-OE1 3.85Å; R640-E687 IonicContact NH2-OE1 2.63Å; R640-E687 PolarHBondContact NH2-OE1 3.44Å; R640-V688 CarbonylContact O-C 3.53Å; R640-V688 VanDerWaalsContact O-CA 3.31Å; R640-V688 WeakPolarHBondContact O-CA 3.19Å; R640-S689 WeakPolarHBondContact CD-OG 2.98Å; R640-S689 WeakPolarHBondContact CG-OG 3.48Å; R640-S689 PolarHBondContact N-O 3.28Å; R640-S689 PolarHBondContact NE-OG 2.63Å; R640-S689 PolarHBondContact O-N 3.18Å
641	W	63.9	Low	53.4	Low	7 Å²	7	61.3 Å²	61.3	3%	0.027	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	156.9	174	70.1	99.5	0	0	0	112.2	L639 V661 E662 R664 I675 D676 E687 V688	L639-W641 HydrophobicContact CD2-CE3 3.96Å; L639-W641 HydrophobicContact CD2-CZ3 3.99Å; L639-W641 HydrophobicContact CG-CE3 4.1Å; L639-W641 HydrophobicContact CG-CZ3 4.38Å; W641-V661 CarbonylContact O-C 3.53Å; W641-V661 WeakPolarHBondContact O-CG1 3.48Å; W641-E662 HydrophobicContact CD2-CB 3.74Å; W641-E662 HydrophobicContact CE3-CB 4.21Å; W641-E662 HydrophobicContact CG-CB 4.31Å; W641-E662 HydrophobicContact CH2-CB 3.87Å; W641-E662 HydrophobicContact CZ2-CB 3.39Å; W641-E662 HydrophobicContact CZ2-CG 4.25Å; W641-E662 WeakPolarHBondContact CZ2-OE2 3.34Å; W641-E662 HydrophobicContact CZ3-CB 4.27Å; W641-E662 PolarHBondContact N-O 3.15Å; W641-E662 PolarHBondContact NE1-OE2 3.34Å; W641-E662 PolarHBondContact O-N 3Å; W641-R664 HydrophobicContact CH2-CB 4.11Å; W641-R664 HydrophobicContact CZ3-CB 3.85Å; W641-I675 HydrophobicContact CB-CD1 4Å; W641-I675 HydrophobicContact CD2-CB 4.04Å; W641-I675 HydrophobicContact CD2-CD1 4.45Å; W641-I675 HydrophobicContact CD2-CG2 3.77Å; W641-I675 HydrophobicContact CE3-CG2 3.86Å; W641-I675 HydrophobicContact CG-CB 4.27Å; W641-I675 HydrophobicContact CG-CD1 3.87Å; W641-I675 HydrophobicContact CG-CG2 4.32Å; W641-I675 HydrophobicContact CH2-CG2 4.26Å; W641-I675 HydrophobicContact CZ2-CB 4.22Å; W641-I675 HydrophobicContact CZ2-CG2 4.13Å; W641-I675 HydrophobicContact CZ3-CG2 4.11Å; W641-D676 PolarHBondContact NE1-O 3Å; W641-E687 VanDerWaalsContact CA-O 3.22Å; W641-E687 WeakPolarHBondContact CA-O 3.41Å; W641-V688 HydrophobicContact CB-CG2 4.02Å
642	G	60.5	Low	52.9	Low	1 Å²	1	63.6 Å²	63.6	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.4	169.5	-174.4	0	0	0	0	0	112.9	Y686 E687	G642-Y686 VanDerWaalsContact O-CA 3.31Å; G642-Y686 WeakPolarHBondContact O-CA 3.44Å; G642-E687 PolarHBondContact N-O 3.48Å; G642-E687 PolarHBondContact O-N 3.14Å; G642-E687 VanDerWaalsContact O-N 3.08Å
643	C	57.9	Low	52.2	Low	12 Å²	12	65.4 Å²	65.4	8%	0.081	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	152	178.1	-70.3	0	0	0	0	111.3	F657 K658 V683 Y686	C643-F657 CarbonylContact O-C 3.53Å; C643-F657 WeakPolarHBondContact O-CA 2.83Å; C643-K658 HydrophobicContact CB-CB 4.18Å; C643-K658 PolarHBondContact O-N 2.83Å; C643-V683 HydrophobicContact CB-CG1 3.75Å; C643-V683 HydrophobicContact CB-CG2 4.28Å; C643-Y686 VanDerWaalsContact SG-CE1 3.59Å
644	V	55.2	Low	51.4	Low	16 Å²	16	62.4 Å²	62.4	10%	0.097	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.9	175.7	-176.9	0	0	0	0	109.8	Y655 W656 V684 G685 E687	V644-Y655 VanDerWaalsContact CG1-CB 3.48Å; V644-Y655 HydrophobicContact CG1-CD1 3.91Å; V644-Y655 HydrophobicContact CG1-CG 3.95Å; V644-W656 WeakPolarHBondContact CA-O 3.47Å; V644-V684 PolarHBondContact O-N 3.43Å; V644-V684 VanDerWaalsContact O-N 3.12Å; V644-G685 PolarHBondContact N-O 2.98Å; V644-E687 HydrophobicContact CG2-CB 3.87Å
645	E	54.7	Low	51.1	Low	54 Å²	54	59.8 Å²	59.8	25%	0.252	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	151.8	172.6	-89.3	-174	161.7	0	0	112	Y655 W656 K658	E645-Y655 VanDerWaalsContact O-CA 3.25Å; E645-Y655 WeakPolarHBondContact O-CA 3.4Å; E645-W656 PolarHBondContact N-O 3.21Å; E645-W656 PolarHBondContact O-N 3.03Å; E645-W656 VanDerWaalsContact O-N 3.15Å; E645-K658 HydrophobicContact CB-CB 4.32Å; E645-K658 HydrophobicContact CG-CB 3.86Å; E645-K658 HydrophobicContact CG-CD 3.84Å; E645-K658 HydrophobicContact CG-CG 4.06Å; E645-K658 WeakPolarHBondContact OE1-CD 3.48Å; E645-K658 WeakPolarHBondContact OE1-CE 2.95Å; E645-K658 IonicContact OE1-NZ 3.94Å; E645-K658 PolarHBondContact OE1-NZ 3.42Å; E645-K658 WeakPolarHBondContact OE2-CG 3.03Å
646	H	51.2	Low	50.8	Low	112 Å²	112	62.8 Å²	62.8	52%	0.519	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	135.2	167	-88.7	-76.2	0	0	0	109.8	Y655 V684	H646-Y655 AromaticContact CE1-CE1 3.35Å; H646-Y655 WeakPolarHBondContact CE1-CE1 2.82Å; H646-Y655 AromaticContact CE1-CZ 3.69Å; H646-Y655 PolarHBondContact CE1-OH 3.25Å; H646-Y655 VanDerWaalsContact CE1-OH 3.3Å; H646-Y655 AromaticContact CG-CE1 3.91Å; H646-Y655 AromaticContact ND1-CE1 3.41Å; H646-Y655 WeakPolarHBondContact ND1-CE1 3.27Å; H646-Y655 AromaticContact NE2-CE1 3.76Å; H646-V684 VanDerWaalsContact CD2-CG2 3.41Å; H646-V684 WeakPolarHBondContact CD2-CG2 3.35Å
647	S	52.5	Low	50.5	Low	21 Å²	21	63.4 Å²	63.4	15%	0.147	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-69.1	141	167.1	171.9	0	0	0	0	111.1	F651 L653 P654	S647-F651 WeakPolarHBondContact OG-CB 3.01Å; S647-F651 PolarHBondContact OG-O 2.9Å; S647-L653 WeakPolarHBondContact CB-O 3.25Å; S647-L653 PolarHBondContact OG-O 3.21Å; S647-P654 PolarHBondContact N-O 3.32Å
648	T	50	Low	50.5	Low	98 Å²	98	67 Å²	67	60%	0.601	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-61.6	157.6	160.3	49.3	0	0	0	0	110.2	D650 F651	T648-D650 PolarHBondContact O-N 3.42Å; T648-F651 PolarHBondContact O-N 2.84Å; T648-F651 VanDerWaalsContact O-N 3.13Å
649	D	42.5	Very low	50.1	Low	172 Å²	172	72.6 Å²	72.6	92%	0.92	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-13.6	-176	-63	-36.6	0	0	0	114.7
650	D	39.2	Very low	49.4	Very low	131 Å²	131	77.3 Å²	77.3	70%	0.701	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	0.9	-178.6	-61.3	-38.5	0	0	0	115.8	T648	T648-D650 PolarHBondContact O-N 3.42Å
651	F	34.3	Very low	49.3	Very low	122 Å²	122	75 Å²	75	54%	0.535	39%	0.391	S	S	.	.	S	Bend	trans	-112	139.4	-179.5	-125.3	-104.1	0	0	0	112.6	S647 T648 L653	S647-F651 WeakPolarHBondContact OG-CB 3.01Å; S647-F651 PolarHBondContact OG-O 2.9Å; T648-F651 PolarHBondContact O-N 2.84Å; T648-F651 VanDerWaalsContact O-N 3.13Å; F651-L653 PolarHBondContact O-N 3.05Å; F651-L653 VanDerWaalsContact O-N 3.15Å
652	P	34.6	Very low	49.1	Very low	120 Å²	120	78.2 Å²	78.2	78%	0.779	41%	0.407	S	S	*	.	S	Bend	trans	-73.7	-4.7	-171.8	27.9	-35.4	0	0	0	115.2
653	L	36.5	Very low	49.4	Very low	60 Å²	60	83.5 Å²	83.5	31%	0.314	43%	0.426	S	S	.	.	S	Bend	trans	-117.9	134.4	177.8	-66.5	170.8	0	0	0	108.3	P596 S647 F651 Y655	P596-L653 HydrophobicContact CB-CD1 4.42Å; P596-L653 HydrophobicContact CB-CD2 4.29Å; P596-L653 HydrophobicContact CG-CD1 3.64Å; P596-L653 HydrophobicContact CG-CD2 3.69Å; P596-L653 HydrophobicContact CG-CG 4.32Å; S647-L653 WeakPolarHBondContact CB-O 3.25Å; S647-L653 PolarHBondContact OG-O 3.21Å; F651-L653 PolarHBondContact O-N 3.05Å; F651-L653 VanDerWaalsContact O-N 3.15Å; L653-Y655 WeakPolarHBondContact CB-O 3.31Å; L653-Y655 PolarHBondContact O-N 2.87Å
654	P	38.8	Very low	49.7	Very low	67 Å²	67	87.8 Å²	87.8	44%	0.435	44%	0.441	S	S	.	.	S	Bend	trans	-63.1	-13.5	179.1	23.7	-31.3	0	0	0	113	C598 S647	C598-P654 HydrophobicContact CB-CG 4.3Å; S647-P654 PolarHBondContact N-O 3.32Å
655	Y	48.4	Very low	49.9	Very low	47 Å²	47	89.9 Å²	89.9	18%	0.184	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	148.2	-170.4	-62.3	-61.8	0	0	0	112.6	C598 V644 E645 H646 L653 V684	C598-Y655 HydrophobicContact CB-CD2 4.49Å; V644-Y655 VanDerWaalsContact CG1-CB 3.48Å; V644-Y655 HydrophobicContact CG1-CD1 3.91Å; V644-Y655 HydrophobicContact CG1-CG 3.95Å; E645-Y655 VanDerWaalsContact O-CA 3.25Å; E645-Y655 WeakPolarHBondContact O-CA 3.4Å; H646-Y655 AromaticContact CE1-CE1 3.35Å; H646-Y655 WeakPolarHBondContact CE1-CE1 2.82Å; H646-Y655 AromaticContact CE1-CZ 3.69Å; H646-Y655 PolarHBondContact CE1-OH 3.25Å; H646-Y655 VanDerWaalsContact CE1-OH 3.3Å; H646-Y655 AromaticContact CG-CE1 3.91Å; H646-Y655 AromaticContact ND1-CE1 3.41Å; H646-Y655 WeakPolarHBondContact ND1-CE1 3.27Å; H646-Y655 AromaticContact NE2-CE1 3.76Å; L653-Y655 WeakPolarHBondContact CB-O 3.31Å; L653-Y655 PolarHBondContact O-N 2.87Å; Y655-V684 HydrophobicContact CD1-CG1 4.26Å; Y655-V684 HydrophobicContact CE1-CB 4.38Å; Y655-V684 HydrophobicContact CE1-CG1 3.63Å
656	W	51.4	Low	50.2	Low	112 Å²	112	88 Å²	88	42%	0.424	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	161.5	173.8	67.6	-66.5	0	0	0	111.9	V644 E645 K658	V644-W656 WeakPolarHBondContact CA-O 3.47Å; E645-W656 PolarHBondContact N-O 3.21Å; E645-W656 PolarHBondContact O-N 3.03Å; E645-W656 VanDerWaalsContact O-N 3.15Å; W656-K658 PolarHBondContact O-N 2.92Å
657	F	52.4	Low	51	Low	31 Å²	31	88.7 Å²	88.7	14%	0.136	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	114.1	174.2	-88.8	-69.5	0	0	0	110.9	R640 C643 E659 V661 E687	R640-F657 HydrophobicContact CG-CE2 4.3Å; R640-F657 HydrophobicContact CG-CZ 4.01Å; R640-F657 VanDerWaalsContact NE-CE2 3.33Å; C643-F657 CarbonylContact O-C 3.53Å; C643-F657 WeakPolarHBondContact O-CA 2.83Å; F657-E659 PolarHBondContact O-N 2.88Å; F657-V661 HydrophobicContact CB-CG2 3.63Å; F657-V661 HydrophobicContact CD1-CG1 4.27Å; F657-V661 HydrophobicContact CD1-CG2 3.79Å; F657-V661 HydrophobicContact CE1-CG1 4.29Å; F657-V661 HydrophobicContact CG-CG2 3.76Å; F657-E687 HydrophobicContact CD1-CB 4.39Å; F657-E687 HydrophobicContact CE1-CB 3.62Å; F657-E687 HydrophobicContact CE1-CG 4.19Å; F657-E687 WeakPolarHBondContact CE1-O 3.31Å; F657-E687 HydrophobicContact CE2-CB 4.04Å; F657-E687 HydrophobicContact CE2-CG 3.78Å; F657-E687 WeakPolarHBondContact CE2-OE1 3.43Å; F657-E687 VanDerWaalsContact CE2-OE2 3.27Å; F657-E687 WeakPolarHBondContact CE2-OE2 3.25Å; F657-E687 HydrophobicContact CZ-CB 3.42Å; F657-E687 VanDerWaalsContact CZ-CB 3.42Å; F657-E687 VanDerWaalsContact CZ-CD 3.41Å; F657-E687 HydrophobicContact CZ-CG 3.45Å; F657-E687 VanDerWaalsContact CZ-CG 3.45Å
658	K	56.4	Low	51.5	Low	81 Å²	81	89.3 Å²	89.3	35%	0.352	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	120.3	165.5	-170.5	-167.7	-166.6	155.5	0	109	C643 E645 W656	C643-K658 HydrophobicContact CB-CB 4.18Å; C643-K658 PolarHBondContact O-N 2.83Å; E645-K658 HydrophobicContact CB-CB 4.32Å; E645-K658 HydrophobicContact CG-CB 3.86Å; E645-K658 HydrophobicContact CG-CD 3.84Å; E645-K658 HydrophobicContact CG-CG 4.06Å; E645-K658 WeakPolarHBondContact OE1-CD 3.48Å; E645-K658 WeakPolarHBondContact OE1-CE 2.95Å; E645-K658 IonicContact OE1-NZ 3.94Å; E645-K658 PolarHBondContact OE1-NZ 3.42Å; E645-K658 WeakPolarHBondContact OE2-CG 3.03Å; W656-K658 PolarHBondContact O-N 2.92Å
659	E	50.3	Low	52.3	Low	162 Å²	162	90.2 Å²	90.2	76%	0.757	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	142	171.9	-70.8	-174.9	177.2	0	0	111.3	F657	F657-E659 PolarHBondContact O-N 2.88Å
660	P	46.4	Very low	53.3	Low	98 Å²	98	83.7 Å²	83.7	64%	0.636	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	cis	-83.4	142.5	7.6	32.3	-33.8	0	0	0	113.9
661	V	58.1	Low	54.4	Low	50 Å²	50	81.3 Å²	81.3	30%	0.303	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.8	168.9	-177.2	0	0	0	0	108.4	R640 W641 F657	R640-V661 HydrophobicContact CB-CG1 4.24Å; R640-V661 HydrophobicContact CG-CG1 4.43Å; W641-V661 CarbonylContact O-C 3.53Å; W641-V661 WeakPolarHBondContact O-CG1 3.48Å; F657-V661 HydrophobicContact CB-CG2 3.63Å; F657-V661 HydrophobicContact CD1-CG1 4.27Å; F657-V661 HydrophobicContact CD1-CG2 3.79Å; F657-V661 HydrophobicContact CE1-CG1 4.29Å; F657-V661 HydrophobicContact CG-CG2 3.76Å
662	E	60.2	Low	55.9	Low	76 Å²	76	84 Å²	84	36%	0.355	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	150	174.5	-66.3	-173.3	-178.1	0	0	110.2	R640 W641	R640-E662 CarbonylContact C-O 3.53Å; R640-E662 VanDerWaalsContact CA-O 3.3Å; R640-E662 WeakPolarHBondContact CA-O 3.41Å; W641-E662 HydrophobicContact CD2-CB 3.74Å; W641-E662 HydrophobicContact CE3-CB 4.21Å; W641-E662 HydrophobicContact CG-CB 4.31Å; W641-E662 HydrophobicContact CH2-CB 3.87Å; W641-E662 HydrophobicContact CZ2-CB 3.39Å; W641-E662 HydrophobicContact CZ2-CG 4.25Å; W641-E662 WeakPolarHBondContact CZ2-OE2 3.34Å; W641-E662 HydrophobicContact CZ3-CB 4.27Å; W641-E662 PolarHBondContact N-O 3.15Å; W641-E662 PolarHBondContact NE1-OE2 3.34Å; W641-E662 PolarHBondContact O-N 3Å
663	W	65.5	Low	57.2	Low	111 Å²	111	78.5 Å²	78.5	42%	0.42	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.6	178.8	61.3	-91.8	0	0	0	111.6	L638 L639 R640 I665 L698 V701	L638-W663 HydrophobicContact CD1-CB 4.26Å; L638-W663 HydrophobicContact CD1-CE3 3.98Å; L639-W663 CarbonylContact O-C 3.51Å; L639-W663 WeakPolarHBondContact O-CA 3.45Å; L639-W663 WeakPolarHBondContact O-CB 3.3Å; R640-W663 HydrophobicContact CB-CB 4.36Å; W663-I665 HydrophobicContact CZ3-CD1 4.26Å; W663-I665 HydrophobicContact CZ3-CG1 4.16Å; W663-L698 HydrophobicContact CE3-CD2 3.94Å; W663-L698 HydrophobicContact CH2-CD2 3.44Å; W663-L698 VanDerWaalsContact CH2-CD2 3.44Å; W663-L698 HydrophobicContact CZ2-CD2 4.19Å; W663-L698 HydrophobicContact CZ3-CD2 3.3Å; W663-V701 HydrophobicContact CZ2-CG2 3.98Å
664	R	64.1	Low	58.9	Low	103 Å²	103	81.4 Å²	81.4	39%	0.389	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	141.2	179.4	-169.3	-179.3	-73.2	165.4	2.7	109.9	L639 W641 L666 Q674	L639-R664 PolarHBondContact N-O 2.92Å; L639-R664 PolarHBondContact O-N 2.93Å; W641-R664 HydrophobicContact CH2-CB 4.11Å; W641-R664 HydrophobicContact CZ3-CB 3.85Å; R664-L666 HydrophobicContact CB-CD2 4.5Å; R664-L666 HydrophobicContact CG-CD2 3.93Å; R664-Q674 PolarHBondContact NH1-O 3.22Å
665	I	60.6	Low	60	Low	60 Å²	60	78.3 Å²	78.3	31%	0.308	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	135.3	169.1	-57	162	0	0	0	108.3	S636 L637 L638 W663 L698	S636-I665 VanDerWaalsContact CB-CG2 3.46Å; L637-I665 CarbonylContact O-C 3.52Å; L637-I665 VanDerWaalsContact O-CA 3.28Å; L637-I665 WeakPolarHBondContact O-CA 3.26Å; L638-I665 HydrophobicContact CD1-CG1 4.48Å; W663-I665 HydrophobicContact CZ3-CD1 4.26Å; W663-I665 HydrophobicContact CZ3-CG1 4.16Å; I665-L698 HydrophobicContact CD1-CB 3.16Å; I665-L698 HydrophobicContact CD1-CD1 3.39Å; I665-L698 HydrophobicContact CD1-CD2 3.88Å; I665-L698 HydrophobicContact CD1-CG 3.61Å; I665-L698 HydrophobicContact CG1-CB 4.36Å; I665-L698 HydrophobicContact CG1-CD1 3.85Å; I665-L698 HydrophobicContact CG1-CD2 4.29Å; I665-L698 HydrophobicContact CG1-CG 4.38Å
666	L	61.5	Low	60.8	Low	13 Å²	13	80 Å²	80	7%	0.068	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.1	179.3	-48.8	173.2	0	0	0	108	L620 L637 L639 R664 T670 V673	L620-L666 HydrophobicContact CD1-CD1 3.5Å; L637-L666 HydrophobicContact CB-CB 4.09Å; L637-L666 PolarHBondContact N-O 3.46Å; L637-L666 PolarHBondContact O-N 2.94Å; L639-L666 HydrophobicContact CB-CD1 3.96Å; L639-L666 HydrophobicContact CB-CG 4.43Å; L639-L666 HydrophobicContact CD2-CD1 4.32Å; R664-L666 HydrophobicContact CB-CD2 4.5Å; R664-L666 HydrophobicContact CG-CD2 3.93Å; L666-T670 HydrophobicContact CB-CG2 4.21Å; L666-T670 HydrophobicContact CD1-CG2 4.39Å; L666-T670 HydrophobicContact CD2-CG2 4.43Å; L666-V673 HydrophobicContact CD1-CB 4.02Å; L666-V673 HydrophobicContact CD1-CG1 4.27Å; L666-V673 HydrophobicContact CD1-CG2 4.11Å; L666-V673 HydrophobicContact CD2-CB 4.39Å; L666-V673 HydrophobicContact CD2-CG2 3.82Å
667	E	67.2	Low	61.3	Low	128 Å²	128	75 Å²	75	60%	0.598	36%	0.364	S	S	*	.			trans	-63.9	149.8	170	-70.4	-178.4	-172.2	0	0	109.5	N669 T670	E667-N669 WeakPolarHBondContact CB-OD1 3.23Å; E667-N669 PolarHBondContact O-N 3.37Å; E667-N669 PolarHBondContact OE2-ND2 3.37Å; E667-N669 PolarHBondContact OE2-OD1 3.05Å; E667-T670 PolarHBondContact N-OG1 2.87Å; E667-T670 VanDerWaalsContact O-CB 3.24Å; E667-T670 WeakPolarHBondContact O-CB 3.42Å; E667-T670 PolarHBondContact O-N 3.38Å; E667-T670 PolarHBondContact O-OG1 3.15Å
668	M	64	Low	61.3	Low	33 Å²	33	75.2 Å²	75.2	16%	0.163	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-20.8	178.9	-70.7	-66.1	-53.6	0	0	113.2	V623 L632 K635 L637 T670	V623-M668 HydrophobicContact CB-CE 4.13Å; V623-M668 HydrophobicContact CG1-CE 3.72Å; L632-M668 HydrophobicContact CD2-CE 3.57Å; K635-M668 HydrophobicContact CB-SD 4.32Å; K635-M668 VanDerWaalsContact O-CG 3.31Å; K635-M668 WeakPolarHBondContact O-CG 3.17Å; L637-M668 HydrophobicContact CD2-SD 4.17Å; L637-M668 HydrophobicContact CG-SD 3.97Å; M668-T670 VanDerWaalsContact C-N 3.32Å
669	N	66.8	Low	61.1	Low	118 Å²	118	78.3 Å²	78.3	63%	0.631	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-0.1	176.4	65.6	11.9	0	0	0	113.8	E667 S671	E667-N669 WeakPolarHBondContact CB-OD1 3.23Å; E667-N669 PolarHBondContact O-N 3.37Å; E667-N669 PolarHBondContact OE2-ND2 3.37Å; E667-N669 PolarHBondContact OE2-OD1 3.05Å; N669-S671 PolarHBondContact O-N 2.98Å
670	T	63.4	Low	61	Low	35 Å²	35	79.8 Å²	79.8	22%	0.215	38%	0.382	C	S	.	.			trans	-73.9	121.8	-174.9	-53.5	0	0	0	0	109.6	L620 L666 E667 M668 R672	L620-T670 HydrophobicContact CD1-CG2 3.64Å; L620-T670 WeakPolarHBondContact CD1-O 3.46Å; L666-T670 HydrophobicContact CB-CG2 4.21Å; L666-T670 HydrophobicContact CD1-CG2 4.39Å; L666-T670 HydrophobicContact CD2-CG2 4.43Å; E667-T670 PolarHBondContact N-OG1 2.87Å; E667-T670 VanDerWaalsContact O-CB 3.24Å; E667-T670 WeakPolarHBondContact O-CB 3.42Å; E667-T670 PolarHBondContact O-N 3.38Å; E667-T670 PolarHBondContact O-OG1 3.15Å; M668-T670 VanDerWaalsContact C-N 3.32Å; T670-R672 WeakPolarHBondContact CG2-O 3.44Å
671	S	61.3	Low	61.1	Low	80 Å²	80	78 Å²	78	56%	0.559	38%	0.382	S	S	*	.			trans	-99.7	-17.8	179.2	56.7	0	0	0	0	113.8	L620 N669	L620-S671 PolarHBondContact N-O 3.15Å; N669-S671 PolarHBondContact O-N 2.98Å
672	R	65.5	Low	60.6	Low	179 Å²	179	82.4 Å²	82.4	68%	0.675	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150	143.5	-177.1	-39.4	-177	98	153.3	7	110.3	T617 I618 T670	T617-R672 HydrophobicContact CG2-CB 4.44Å; I618-R672 WeakPolarHBondContact O-CA 3.46Å; T670-R672 WeakPolarHBondContact CG2-O 3.44Å
673	V	63	Low	60	Low	5 Å²	5	80.5 Å²	80.5	3%	0.03	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.1	175.4	64.6	0	0	0	0	111.5	T617 I618 L620 L639 L666 I675	T617-V673 CarbonylContact C-O 3.57Å; T617-V673 WeakPolarHBondContact CA-O 3.38Å; I618-V673 HydrophobicContact CB-CG1 3.89Å; I618-V673 PolarHBondContact N-O 3.34Å; I618-V673 PolarHBondContact O-N 3.18Å; L620-V673 HydrophobicContact CD1-CB 4.49Å; L620-V673 HydrophobicContact CD1-CG1 4.44Å; L620-V673 HydrophobicContact CD2-CG1 4.25Å; L620-V673 HydrophobicContact CG-CG1 4.43Å; L639-V673 HydrophobicContact CD1-CG1 4.36Å; L639-V673 HydrophobicContact CD2-CB 4.21Å; L639-V673 HydrophobicContact CD2-CG1 3.6Å; L639-V673 HydrophobicContact CD2-CG2 3.66Å; L666-V673 HydrophobicContact CD1-CB 4.02Å; L666-V673 HydrophobicContact CD1-CG1 4.27Å; L666-V673 HydrophobicContact CD1-CG2 4.11Å; L666-V673 HydrophobicContact CD2-CB 4.39Å; L666-V673 HydrophobicContact CD2-CG2 3.82Å; V673-I675 HydrophobicContact CG2-CG2 4.41Å
674	Q	70.9	Confident	59.2	Low	121 Å²	121	77.6 Å²	77.6	57%	0.565	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.2	170.6	-73.6	-175.3	-25.6	0	0	110	T615 V616 T617 R664	T615-Q674 HydrophobicContact CG2-CB 4.4Å; V616-Q674 WeakPolarHBondContact O-CA 3.29Å; T617-Q674 HydrophobicContact CG2-CG 4.31Å; T617-Q674 WeakPolarHBondContact OG1-CG 3.32Å; R664-Q674 PolarHBondContact NH1-O 3.22Å
675	I	63.5	Low	58.6	Low	2 Å²	2	74 Å²	74	1%	0.01	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144.2	175.2	60.9	164.2	0	0	0	109.9	T615 V616 I618 L639 W641 V673 L677 V688	T615-I675 CarbonylContact C-O 3.44Å; T615-I675 VanDerWaalsContact CA-O 3.3Å; T615-I675 WeakPolarHBondContact CA-O 3.15Å; T615-I675 WeakPolarHBondContact CG2-O 3.46Å; V616-I675 HydrophobicContact CB-CG1 4.24Å; V616-I675 PolarHBondContact N-O 3.34Å; V616-I675 PolarHBondContact O-N 3.49Å; I618-I675 HydrophobicContact CD1-CD1 3.53Å; I618-I675 HydrophobicContact CD1-CG1 3.97Å; I618-I675 HydrophobicContact CG1-CD1 4.43Å; I618-I675 HydrophobicContact CG1-CG1 4.42Å; L639-I675 HydrophobicContact CD2-CG2 3.59Å; W641-I675 HydrophobicContact CB-CD1 4Å; W641-I675 HydrophobicContact CD2-CB 4.04Å; W641-I675 HydrophobicContact CD2-CD1 4.45Å; W641-I675 HydrophobicContact CD2-CG2 3.77Å; W641-I675 HydrophobicContact CE3-CG2 3.86Å; W641-I675 HydrophobicContact CG-CB 4.27Å; W641-I675 HydrophobicContact CG-CD1 3.87Å; W641-I675 HydrophobicContact CG-CG2 4.32Å; W641-I675 HydrophobicContact CH2-CG2 4.26Å; W641-I675 HydrophobicContact CZ2-CB 4.22Å; W641-I675 HydrophobicContact CZ2-CG2 4.13Å; W641-I675 HydrophobicContact CZ3-CG2 4.11Å; V673-I675 HydrophobicContact CG2-CG2 4.41Å; I675-L677 HydrophobicContact CD1-CD2 4Å; I675-V688 HydrophobicContact CD1-CG2 3.99Å
676	D	64.8	Low	58.2	Low	82 Å²	82	73.5 Å²	73.5	44%	0.439	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131	169.1	-69.7	-48.4	0	0	0	109	S614 T615 W641 P678	S614-D676 CarbonylContact O-C 3.45Å; S614-D676 VanDerWaalsContact O-CA 3.23Å; S614-D676 WeakPolarHBondContact O-CA 3.47Å; T615-D676 WeakPolarHBondContact CB-OD1 3.46Å; T615-D676 VanDerWaalsContact CG2-OD1 3.24Å; T615-D676 WeakPolarHBondContact CG2-OD1 3.4Å; T615-D676 PolarHBondContact OG1-OD1 3.47Å; W641-D676 PolarHBondContact NE1-O 3Å; D676-P678 WeakPolarHBondContact O-CD 3.13Å
677	L	61	Low	57.9	Low	8 Å²	8	75.7 Å²	75.7	4%	0.042	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-87.6	121.4	176.4	-66.7	-177.8	0	0	0	108.7	F611 S614 V616 I675 R679 Y686	F611-L677 HydrophobicContact CD1-CD1 4.01Å; F611-L677 HydrophobicContact CE1-CD1 4.03Å; F611-L677 HydrophobicContact CG-CD1 4.34Å; F611-L677 HydrophobicContact CZ-CD1 4.38Å; S614-L677 PolarHBondContact O-N 3.3Å; V616-L677 HydrophobicContact CG2-CD1 3.49Å; V616-L677 VanDerWaalsContact CG2-CD1 3.49Å; V616-L677 HydrophobicContact CG2-CG 3.88Å; I675-L677 HydrophobicContact CD1-CD2 4Å; L677-R679 PolarHBondContact O-N 2.9Å; L677-Y686 HydrophobicContact CB-CD1 4.46Å; L677-Y686 HydrophobicContact CB-CE1 3.94Å; L677-Y686 HydrophobicContact CB-CE2 4.31Å; L677-Y686 HydrophobicContact CD1-CD2 4.02Å; L677-Y686 HydrophobicContact CD1-CE2 3.95Å; L677-Y686 HydrophobicContact CD1-CG 4.47Å; L677-Y686 HydrophobicContact CD2-CD1 3.75Å; L677-Y686 HydrophobicContact CD2-CD2 4.16Å; L677-Y686 HydrophobicContact CD2-CE1 4.11Å; L677-Y686 HydrophobicContact CD2-CG 3.78Å; L677-Y686 HydrophobicContact CG-CE1 4.49Å
678	P	52.9	Low	57.1	Low	35 Å²	35	70.4 Å²	70.4	23%	0.227	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-59.9	116.4	179.3	14	-23	0	0	0	110.4	D676 K680 Y686	D676-P678 WeakPolarHBondContact O-CD 3.13Å; P678-K680 PolarHBondContact O-N 2.76Å; P678-Y686 HydrophobicContact CG-CE1 4.06Å; P678-Y686 PolarHBondContact O-OH 3.15Å
679	R	51.6	Low	56.6	Low	146 Å²	146	69.8 Å²	69.8	55%	0.551	37%	0.366	S	S	*	.			trans	-85.2	90.6	175	-79.1	-178.6	166.5	171	-3.4	109.2	F611 S612 L677	F611-R679 PolarHBondContact O-NH2 2.77Å; F611-R679 VanDerWaalsContact O-NH2 3.17Å; S612-R679 VanDerWaalsContact C-NH2 3.32Å; S612-R679 PolarHBondContact O-NH2 2.78Å; L677-R679 PolarHBondContact O-N 2.9Å
680	K	48.5	Very low	55.8	Low	192 Å²	192	66 Å²	66	84%	0.835	35%	0.345	S	S	*	.			trans	-174	124.6	161.5	-107.1	158.1	-174.6	-173.5	0	113.2	P678 V683	P678-K680 PolarHBondContact O-N 2.76Å; K680-V683 WeakPolarHBondContact O-CG2 3.31Å
681	G	48.7	Very low	55.3	Low	62 Å²	62	66.6 Å²	66.6	64%	0.639	35%	0.351	S	S	*	.	S	Bend	trans	105.6	178	163.2	0	0	0	0	0	116	V683	G681-V683 PolarHBondContact O-N 3.16Å
682	D	48	Very low	54.9	Low	142 Å²	142	66 Å²	66	76%	0.759	34%	0.341	S	S	*	.	S	Bend	trans	-70.5	70.5	170.6	-69.6	-36.9	0	0	0	110
683	V	47.8	Very low	54	Low	36 Å²	36	59.4 Å²	59.4	22%	0.218	32%	0.32	C	S	.	.			trans	-84.3	126.6	-177.3	-176.2	0	0	0	0	109.4	C643 K680 G681 G685 Y686	C643-V683 HydrophobicContact CB-CG1 3.75Å; C643-V683 HydrophobicContact CB-CG2 4.28Å; K680-V683 WeakPolarHBondContact O-CG2 3.31Å; G681-V683 PolarHBondContact O-N 3.16Å; V683-G685 WeakPolarHBondContact CG1-O 3.41Å; V683-Y686 HydrophobicContact CG1-CE1 4.49Å
684	V	48.1	Very low	53.3	Low	50 Å²	50	65.1 Å²	65.1	30%	0.303	35%	0.345	S	S	.	.			trans	-79.4	-25.1	-178.9	-167.8	0	0	0	0	111.7	V644 H646 Y655	V644-V684 PolarHBondContact O-N 3.43Å; V644-V684 VanDerWaalsContact O-N 3.12Å; H646-V684 VanDerWaalsContact CD2-CG2 3.41Å; H646-V684 WeakPolarHBondContact CD2-CG2 3.35Å; Y655-V684 HydrophobicContact CD1-CG1 4.26Å; Y655-V684 HydrophobicContact CE1-CB 4.38Å; Y655-V684 HydrophobicContact CE1-CG1 3.63Å
685	G	51.4	Low	52	Low	26 Å²	26	61.7 Å²	61.7	27%	0.268	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173.8	-170.8	176.5	0	0	0	0	0	112	V644 V683	V644-G685 PolarHBondContact N-O 2.98Å; V683-G685 WeakPolarHBondContact CG1-O 3.41Å
686	Y	53.2	Low	50.9	Low	50 Å²	50	68.2 Å²	68.2	20%	0.196	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.5	173.9	-63.2	-85.9	0	0	0	109.2	F611 G642 C643 L677 P678 V683	F611-Y686 AromaticContact CD2-CE2 3.86Å; F611-Y686 HydrophobicContact CD2-CE2 3.86Å; F611-Y686 AromaticContact CE2-CD2 3.97Å; F611-Y686 HydrophobicContact CE2-CD2 3.97Å; F611-Y686 AromaticContact CE2-CE2 3.53Å; F611-Y686 HydrophobicContact CE2-CE2 3.53Å; F611-Y686 HydrophobicContact CZ-CD2 4.21Å; F611-Y686 HydrophobicContact CZ-CE2 4.17Å; G642-Y686 VanDerWaalsContact O-CA 3.31Å; G642-Y686 WeakPolarHBondContact O-CA 3.44Å; C643-Y686 VanDerWaalsContact SG-CE1 3.59Å; L677-Y686 HydrophobicContact CB-CD1 4.46Å; L677-Y686 HydrophobicContact CB-CE1 3.94Å; L677-Y686 HydrophobicContact CB-CE2 4.31Å; L677-Y686 HydrophobicContact CD1-CD2 4.02Å; L677-Y686 HydrophobicContact CD1-CE2 3.95Å; L677-Y686 HydrophobicContact CD1-CG 4.47Å; L677-Y686 HydrophobicContact CD2-CD1 3.75Å; L677-Y686 HydrophobicContact CD2-CD2 4.16Å; L677-Y686 HydrophobicContact CD2-CE1 4.11Å; L677-Y686 HydrophobicContact CD2-CG 3.78Å; L677-Y686 HydrophobicContact CG-CE1 4.49Å; P678-Y686 HydrophobicContact CG-CE1 4.06Å; P678-Y686 PolarHBondContact O-OH 3.15Å; V683-Y686 HydrophobicContact CG1-CE1 4.49Å
687	E	54	Low	49.3	Very low	59 Å²	59	73.6 Å²	73.6	28%	0.276	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139.4	169.9	179.9	-171.6	153.2	0	0	108.7	R640 W641 G642 V644 F657	R640-E687 IonicContact CZ-OE1 2.69Å; R640-E687 IonicContact NE-OE1 3.85Å; R640-E687 IonicContact NH2-OE1 2.63Å; R640-E687 PolarHBondContact NH2-OE1 3.44Å; W641-E687 VanDerWaalsContact CA-O 3.22Å; W641-E687 WeakPolarHBondContact CA-O 3.41Å; G642-E687 PolarHBondContact N-O 3.48Å; G642-E687 PolarHBondContact O-N 3.14Å; G642-E687 VanDerWaalsContact O-N 3.08Å; V644-E687 HydrophobicContact CG2-CB 3.87Å; F657-E687 HydrophobicContact CD1-CB 4.39Å; F657-E687 HydrophobicContact CE1-CB 3.62Å; F657-E687 HydrophobicContact CE1-CG 4.19Å; F657-E687 WeakPolarHBondContact CE1-O 3.31Å; F657-E687 HydrophobicContact CE2-CB 4.04Å; F657-E687 HydrophobicContact CE2-CG 3.78Å; F657-E687 WeakPolarHBondContact CE2-OE1 3.43Å; F657-E687 VanDerWaalsContact CE2-OE2 3.27Å; F657-E687 WeakPolarHBondContact CE2-OE2 3.25Å; F657-E687 HydrophobicContact CZ-CB 3.42Å; F657-E687 VanDerWaalsContact CZ-CB 3.42Å; F657-E687 VanDerWaalsContact CZ-CD 3.41Å; F657-E687 HydrophobicContact CZ-CG 3.45Å; F657-E687 VanDerWaalsContact CZ-CG 3.45Å
688	V	49.8	Very low	47.7	Very low	17 Å²	17	76.5 Å²	76.5	10%	0.103	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.8	171.2	-177.1	0	0	0	0	108.1	I618 L639 R640 W641 I675	I618-V688 HydrophobicContact CD1-CB 4.3Å; I618-V688 HydrophobicContact CD1-CG1 3.76Å; I618-V688 HydrophobicContact CD1-CG2 3.82Å; L639-V688 HydrophobicContact CD1-CG1 3.62Å; R640-V688 CarbonylContact O-C 3.53Å; R640-V688 VanDerWaalsContact O-CA 3.31Å; R640-V688 WeakPolarHBondContact O-CA 3.19Å; W641-V688 HydrophobicContact CB-CG2 4.02Å; I675-V688 HydrophobicContact CD1-CG2 3.99Å
689	S	54.6	Low	46.4	Very low	21 Å²	21	81 Å²	81	15%	0.147	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.3	173.6	103	0	0	0	0	111.6	L639 R640	L639-S689 CarbonylContact C-O 3.52Å; L639-S689 WeakPolarHBondContact CA-O 3.29Å; R640-S689 WeakPolarHBondContact CD-OG 2.98Å; R640-S689 WeakPolarHBondContact CG-OG 3.48Å; R640-S689 PolarHBondContact N-O 3.28Å; R640-S689 PolarHBondContact NE-OG 2.63Å; R640-S689 PolarHBondContact O-N 3.18Å
690	I	50.8	Low	45.1	Very low	37 Å²	37	79.8 Å²	79.8	19%	0.19	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.3	175.5	-59.9	156.3	0	0	0	108	L620 L637 L638 L639 Y718	L620-I690 HydrophobicContact CD2-CD1 3.43Å; L620-I690 VanDerWaalsContact CD2-CD1 3.43Å; L620-I690 HydrophobicContact CD2-CG1 4.15Å; L637-I690 HydrophobicContact CD2-CG2 4.15Å; L638-I690 CarbonylContact O-C 3.57Å; L638-I690 WeakPolarHBondContact O-CA 3.44Å; L639-I690 HydrophobicContact CD1-CD1 4.35Å; L639-I690 HydrophobicContact CD1-CG1 3.56Å; I690-Y718 HydrophobicContact CD1-CE2 4.49Å
691	S	51.3	Low	44	Very low	48 Å²	48	74.9 Å²	74.9	34%	0.336	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.7	178.8	53.7	0	0	0	0	111.4	L637 L638	L637-S691 CarbonylContact C-O 3.54Å; L637-S691 WeakPolarHBondContact CA-O 3.48Å; L638-S691 WeakPolarHBondContact CB-OG 3.23Å; L638-S691 PolarHBondContact N-O 3.09Å; L638-S691 PolarHBondContact O-N 2.92Å; L638-S691 PolarHBondContact O-OG 2.93Å
692	I	53.1	Low	42.8	Very low	67 Å²	67	80.4 Å²	80.4	34%	0.344	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.5	177.9	-57.5	172.7	0	0	0	108.9	V623 L627 K635 L637	V623-I692 HydrophobicContact CG1-CD1 4.41Å; L627-I692 HydrophobicContact CD1-CD1 4.12Å; K635-I692 HydrophobicContact CB-CG2 4.16Å; K635-I692 HydrophobicContact CD-CG2 3.72Å; K635-I692 HydrophobicContact CG-CG2 4.44Å; L637-I692 HydrophobicContact CD2-CG1 3.97Å
693	T	46.5	Very low	41.7	Very low	41 Å²	41	81.7 Å²	81.7	25%	0.252	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	166.1	-179.5	-174.9	0	0	0	0	111.6	K635 S636 L638 L698	K635-T693 CarbonylContact C-O 3.44Å; K635-T693 WeakPolarHBondContact CA-O 3.32Å; K635-T693 VanDerWaalsContact CB-O 3.28Å; K635-T693 WeakPolarHBondContact CB-O 3.48Å; S636-T693 PolarHBondContact N-O 2.9Å; S636-T693 WeakPolarHBondContact O-CG2 3.45Å; S636-T693 PolarHBondContact O-N 2.89Å; L638-T693 HydrophobicContact CB-CG2 4.15Å; T693-L698 HydrophobicContact CG2-CD1 4.46Å
694	K	49.7	Very low	40.5	Very low	125 Å²	125	84.6 Å²	84.6	54%	0.543	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.6	175.9	-78.4	-177.1	175.9	-178.3	0	111.5	N634 K635 Q696	N634-K694 CarbonylContact O-C 3.58Å; N634-K694 WeakPolarHBondContact O-CA 3.29Å; K635-K694 HydrophobicContact CG-CG 4.42Å; K694-Q696 VanDerWaalsContact C-N 3.25Å; K694-Q696 PolarHBondContact O-N 3.02Å
695	S	43.8	Very low	39.5	Very low	49 Å²	49	89.4 Å²	89.4	34%	0.343	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	21.8	-163.2	79.8	0	0	0	0	117.1	N634 S636	N634-S695 VanDerWaalsContact C-OG 3.27Å; N634-S695 WeakPolarHBondContact CA-OG 2.99Å; N634-S695 PolarHBondContact O-N 3.5Å; S636-S695 WeakPolarHBondContact OG-CA 3.48Å; S636-S695 WeakPolarHBondContact OG-CB 3.34Å
696	Q	38.5	Very low	38.1	Very low	140 Å²	140	96.6 Å²	96.6	65%	0.654	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.8	7.5	-177.1	-73.2	-169.1	-9.1	0	0	115.9	K694	K694-Q696 VanDerWaalsContact C-N 3.25Å; K694-Q696 PolarHBondContact O-N 3.02Å
697	Y	31.7	Very low	36.6	Very low	194 Å²	194	99.3 Å²	99.3	76%	0.761	54%	0.535	S	S	*	.			trans	-141.8	84.9	-178.2	-67.9	-84.5	0	0	0	112.3
698	L	27	Very low	35.1	Very low	70 Å²	70	102.6 Å²	102.6	37%	0.366	55%	0.553	S	S	.	*			trans	-157.1	79.7	156	-93.6	120.9	0	0	0	108.7	W663 I665 T693	W663-L698 HydrophobicContact CE3-CD2 3.94Å; W663-L698 HydrophobicContact CH2-CD2 3.44Å; W663-L698 VanDerWaalsContact CH2-CD2 3.44Å; W663-L698 HydrophobicContact CZ2-CD2 4.19Å; W663-L698 HydrophobicContact CZ3-CD2 3.3Å; I665-L698 HydrophobicContact CD1-CB 3.16Å; I665-L698 HydrophobicContact CD1-CD1 3.39Å; I665-L698 HydrophobicContact CD1-CD2 3.88Å; I665-L698 HydrophobicContact CD1-CG 3.61Å; I665-L698 HydrophobicContact CG1-CB 4.36Å; I665-L698 HydrophobicContact CG1-CD1 3.85Å; I665-L698 HydrophobicContact CG1-CD2 4.29Å; I665-L698 HydrophobicContact CG1-CG 4.38Å; T693-L698 HydrophobicContact CG2-CD1 4.46Å
699	T	25.5	Very low	33.8	Very low	129 Å²	129	110.8 Å²	110.8	79%	0.791	58%	0.582	S	S	*	*	S	Bend	trans	-112.9	99.4	148.4	3.1	0	0	0	0	106.2
700	V	25.5	Very low	32.3	Very low	120 Å²	120	116.2 Å²	116.2	73%	0.727	61%	0.609	S	S	*	*	S	Bend	trans	63.5	90.8	157.1	-166.7	0	0	0	0	117.3
701	V	24.3	Very low	31	Very low	90 Å²	90	118.8 Å²	118.8	55%	0.545	63%	0.627	S	S	.	*			trans	53.1	129.5	130.1	-173.3	0	0	0	0	119.9	W663	W663-V701 HydrophobicContact CZ2-CG2 3.98Å
702	E	25.2	Very low	29.6	Very low	177 Å²	177	119.4 Å²	119.4	83%	0.827	63%	0.634	S	S	*	*			trans	75.1	75.7	162.4	-78.3	169.8	-178.6	0	0	118.3
703	E	23.3	Very low	28.3	Very low	170 Å²	170	122.4 Å²	122.4	79%	0.794	65%	0.647	S	S	*	*			trans	178	133.7	140.1	-101.2	165	-174.2	0	0	112.3
704	A	24.1	Very low	27.3	Very low	96 Å²	96	123.3 Å²	123.3	79%	0.793	65%	0.65	S	S	*	*			trans	64.8	83.9	154.4	0	0	0	0	0	121.1	K706	A704-K706 PolarHBondContact O-N 2.93Å
705	T	25.6	Very low	26.2	Very low	151 Å²	151	123.3 Å²	123.3	93%	0.926	65%	0.652	S	S	*	*			trans	-87.8	80.9	154.7	38.2	0	0	0	0	111.7
706	K	22.2	Very low	25.6	Very low	177 Å²	177	125.7 Å²	125.7	77%	0.77	65%	0.653	S	S	*	*			trans	-120.9	75.4	154.4	-95.6	-171.8	-177.9	169.2	0	108.9	A704	A704-K706 PolarHBondContact O-N 2.93Å
707	S	22.9	Very low	25.1	Very low	107 Å²	107	122.4 Å²	122.4	75%	0.748	65%	0.645	S	S	*	*	S	Bend	trans	-163.1	126.4	162	-39.7	0	0	0	0	112.7
708	I	22.6	Very low	25.1	Very low	128 Å²	128	115.6 Å²	115.6	66%	0.656	62%	0.618	S	S	*	*			trans	73.1	93.9	151.7	-52.7	163.8	0	0	0	116.5	L710	I708-L710 PolarHBondContact O-N 3.18Å
709	W	22.3	Very low	25.2	Very low	189 Å²	189	116.1 Å²	116.1	72%	0.716	62%	0.624	S	S	*	*			trans	-72	116.3	166.3	-69.6	82.1	0	0	0	110.8	V711	W709-V711 HydrophobicContact CE3-CG2 4.04Å; W709-V711 HydrophobicContact CZ3-CG2 4.31Å
710	L	21.6	Very low	25.4	Very low	136 Å²	136	112 Å²	112	71%	0.712	60%	0.599	S	S	*	*			trans	-148.6	79.9	156.7	-107.1	152.3	0	0	0	105.9	I708 A712	I708-L710 PolarHBondContact O-N 3.18Å; L710-A712 PolarHBondContact O-N 3Å
711	V	23.9	Very low	25.6	Very low	91 Å²	91	110 Å²	110	55%	0.552	59%	0.587	S	S	*	*			trans	-79.9	103.3	172.9	179.9	0	0	0	0	106.8	W709 E713	W709-V711 HydrophobicContact CE3-CG2 4.04Å; W709-V711 HydrophobicContact CZ3-CG2 4.31Å; V711-E713 HydrophobicContact CG1-CG 3.85Å
712	A	23.1	Very low	25.7	Very low	60 Å²	60	108.6 Å²	108.6	50%	0.496	59%	0.59	S	S	.	*			trans	-91.7	111.5	154.2	0	0	0	0	0	106.4	L627 L710 L714	L627-A712 HydrophobicContact CD2-CB 4.13Å; L710-A712 PolarHBondContact O-N 3Å; A712-L714 PolarHBondContact O-N 2.99Å
713	E	24.8	Very low	25.6	Very low	130 Å²	130	104 Å²	104	61%	0.607	58%	0.583	S	S	*	*			trans	-71.7	106.2	-179.1	-73.3	-179.9	142.8	0	0	111.1	V711	V711-E713 HydrophobicContact CG1-CG 3.85Å
714	L	24.8	Very low	25.7	Very low	61 Å²	61	102.5 Å²	102.5	32%	0.319	58%	0.58	S	S	.	*			trans	-137.4	102.1	156	-78.5	168.4	0	0	0	107.6	R626 A712	R626-L714 HydrophobicContact CB-CD1 4.26Å; A712-L714 PolarHBondContact O-N 2.99Å
715	Q	28.4	Very low	25.7	Very low	124 Å²	124	101.2 Å²	101.2	58%	0.579	56%	0.564	S	S	*	*			trans	-114.4	122.6	-178.5	-144.4	179	-8.5	0	0	108.9
716	W	31	Very low	25.7	Very low	99 Å²	99	99 Å²	99	38%	0.375	55%	0.55	S	S	.	*			trans	-120.8	129.6	178.8	-60.1	89.4	0	0	0	109.7	P621 A729	P621-W716 HydrophobicContact CB-CD2 4.45Å; P621-W716 HydrophobicContact CB-CZ2 4.17Å; P621-W716 HydrophobicContact CG-CD2 4.09Å; P621-W716 HydrophobicContact CG-CG 3.92Å; W716-A729 HydrophobicContact CH2-CB 4.16Å; W716-A729 HydrophobicContact CZ3-CB 3.77Å
717	C	27.8	Very low	25.8	Very low	71 Å²	71	95.5 Å²	95.5	48%	0.48	54%	0.54	S	S	.	.			trans	-110.9	127.4	176.8	-69.1	0	0	0	0	109.9
718	Y	30.8	Very low	26	Very low	51 Å²	51	98.2 Å²	98.2	20%	0.2	54%	0.544	C	S	.	.			trans	-106.7	128.3	171.6	-68	-77.6	0	0	0	110.1	I618 P619 I690	I618-Y718 HydrophobicContact CG2-CD2 3.75Å; I618-Y718 HydrophobicContact CG2-CE2 3.71Å; I618-Y718 HydrophobicContact CG2-CG 4.38Å; P619-Y718 HydrophobicContact CG-CE1 4.19Å; P619-Y718 VanDerWaalsContact O-CZ 3.26Å; P619-Y718 PolarHBondContact O-OH 3.4Å; I690-Y718 HydrophobicContact CD1-CE2 4.49Å
719	V	29.3	Very low	26.1	Very low	82 Å²	82	94.8 Å²	94.8	50%	0.497	54%	0.535	S	S	.	.			trans	-96.5	116.2	167.1	-175.5	0	0	0	0	108	I599 T721	I599-V719 HydrophobicContact CB-CG2 4.48Å; I599-V719 HydrophobicContact CD1-CG2 3.15Å; I599-V719 HydrophobicContact CG1-CG2 4.33Å; I599-V719 HydrophobicContact CG2-CG2 4.04Å; V719-T721 HydrophobicContact CG1-CG2 4.03Å; V719-T721 PolarHBondContact O-N 2.57Å
720	V	30.9	Very low	26.2	Very low	41 Å²	41	90.4 Å²	90.4	25%	0.248	53%	0.533	C	S	.	.			trans	-91.2	87.4	175.5	-173	0	0	0	0	108.8	F611 V616	F611-V720 HydrophobicContact CE1-CG1 4.11Å; V616-V720 HydrophobicContact CG1-CG1 4.13Å; V616-V720 HydrophobicContact CG1-CG2 4.22Å; V616-V720 HydrophobicContact CG2-CG1 4.25Å
721	T	28.7	Very low	26.4	Very low	80 Å²	80	91.6 Å²	91.6	49%	0.491	55%	0.545	S	S	.	.			trans	-85.1	136.2	163.7	48.8	0	0	0	0	109.6	V719 A723	V719-T721 HydrophobicContact CG1-CG2 4.03Å; V719-T721 PolarHBondContact O-N 2.57Å; T721-A723 PolarHBondContact O-N 3.02Å; T721-A723 VanDerWaalsContact O-N 3.15Å
722	G	26.3	Very low	26.4	Very low	59 Å²	59	90.5 Å²	90.5	61%	0.608	55%	0.553	S	S	*	*	S	Bend	trans	-52.2	120.8	175.2	0	0	0	0	0	111.4
723	A	23.4	Very low	26.5	Very low	82 Å²	82	95.9 Å²	95.9	68%	0.678	57%	0.568	S	S	*	*	S	Bend	trans	89.1	105.9	-170.3	0	0	0	0	0	115.4	T721	T721-A723 PolarHBondContact O-N 3.02Å; T721-A723 VanDerWaalsContact O-N 3.15Å
724	L	24.5	Very low	26.6	Very low	138 Å²	138	97 Å²	97	72%	0.723	58%	0.578	S	S	*	*			trans	62.6	115.2	174.6	-86.5	90.1	0	0	0	117.2	V726	L724-V726 HydrophobicContact CB-CG2 4.16Å; L724-V726 PolarHBondContact O-N 2.69Å
725	C	25.3	Very low	26.7	Very low	68 Å²	68	99.2 Å²	99.2	46%	0.459	60%	0.599	S	S	.	*			trans	-64.4	111.2	153.9	-70.4	0	0	0	0	107.8
726	V	24.7	Very low	26.6	Very low	105 Å²	105	101.4 Å²	101.4	64%	0.636	61%	0.608	S	S	*	*			trans	-102.3	121.2	174.3	-179.1	0	0	0	0	108.1	L724 I728	L724-V726 HydrophobicContact CB-CG2 4.16Å; L724-V726 PolarHBondContact O-N 2.69Å; V726-I728 PolarHBondContact O-N 2.83Å
727	D	25.4	Very low	26.5	Very low	103 Å²	103	105 Å²	105	55%	0.551	63%	0.626	S	S	*	*			trans	-60.4	121.7	168.7	-112.6	-36.2	0	0	0	109.7
728	I	25.8	Very low	26.5	Very low	165 Å²	165	110.3 Å²	110.3	85%	0.846	65%	0.645	S	S	*	*	S	Bend	trans	-106	53.9	171.3	-47.6	179.3	0	0	0	108.3	V726	V726-I728 PolarHBondContact O-N 2.83Å
729	A	24.5	Very low	26.5	Very low	55 Å²	55	115.2 Å²	115.2	46%	0.455	67%	0.674	S	S	.	*	S	Bend	trans	-163.3	49.3	173	0	0	0	0	0	114.2	W716	W716-A729 HydrophobicContact CH2-CB 4.16Å; W716-A729 HydrophobicContact CZ3-CB 3.77Å
730	S	25	Very low	26.6	Very low	98 Å²	98	121.1 Å²	121.1	69%	0.685	69%	0.693	S	S	*	*			trans	-174.8	106.6	152.9	49.5	0	0	0	0	111.5
731	V	25.9	Very low	26.7	Very low	160 Å²	160	129.9 Å²	129.9	97%	0.97	72%	0.722	S	S	*	*			trans	-137.6	71.8	153.3	-171.9	0	0	0	0	107.2
732	G	24.3	Very low	26.8	Very low	68 Å²	68	133 Å²	133	70%	0.701	73%	0.734	S	S	*	*			trans	-106.6	117.5	156.1	0	0	0	0	0	107.3
733	E	25.5	Very low	27.1	Very low	174 Å²	174	138.1 Å²	138.1	81%	0.813	74%	0.74	S	S	*	*			trans	37.6	101.8	153.7	-63.5	178	159.8	0	0	118.7
734	N	26.3	Very low	27.6	Very low	152 Å²	152	138.9 Å²	138.9	81%	0.813	74%	0.736	S	S	*	*				160.9	143.2	111.2	-84	-46.4	0	0	0	114.1
735	S	26.8	Very low	28.2	Very low	109 Å²	109	140.4 Å²	140.4	76%	0.762	74%	0.74	S	S	*	*			trans	85	103.6	155	76.1	0	0	0	0	120.8
736	H	27.4	Very low	28.5	Very low	169 Å²	169	143.5 Å²	143.5	78%	0.782	75%	0.747	S	S	*	*			trans	42.4	120.6	133.5	-81.6	-52.9	0	0	0	123.7
737	K	26.9	Very low	29	Very low	174 Å²	174	143.5 Å²	143.5	76%	0.757	74%	0.743	S	S	*	*			trans	73.6	129.2	134.7	-73.6	-179.7	177	178.8	0	119
738	E	28.8	Very low	29.4	Very low	184 Å²	184	146 Å²	146	86%	0.86	75%	0.749	S	S	*	*			trans	70.1	115.8	162.6	-63.7	172.2	164	0	0	114.5
739	N	31.8	Very low	29.6	Very low	153 Å²	153	141.7 Å²	141.7	82%	0.818	74%	0.738	S	S	*	*				-163.6	126.2	60	-144.1	-22.9	0	0	0	111.2	R741	N739-R741 PolarHBondContact O-N 3.47Å
740	K	29.5	Very low	29.9	Very low	206 Å²	206	142.2 Å²	142.2	90%	0.896	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	25.9	-160.9	-123.7	178	-175.2	-178.9	0	114.4
741	R	33	Very low	30.2	Very low	226 Å²	226	140.8 Å²	140.8	85%	0.853	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	-6.2	-166.9	-106.8	178.5	175.8	178.3	-1.9	117.9	N739	N739-R741 PolarHBondContact O-N 3.47Å
742	L	30.7	Very low	30.4	Very low	144 Å²	144	136.7 Å²	136.7	75%	0.754	72%	0.719	S	S	*	*	S	Bend	trans	-101.3	-6.6	176.1	-94.4	109.6	0	0	0	115.3	V744	L742-V744 PolarHBondContact O-N 3.46Å
743	K	32.9	Very low	30.7	Very low	167 Å²	167	137.3 Å²	137.3	73%	0.726	71%	0.71	S	S	*	*	H	α-helix	trans	-79.5	-11.8	-178.8	-98.1	-178.9	172	-176	0	115.1	L747	K743-L747 VanDerWaalsContact O-CD1 3.31Å; K743-L747 WeakPolarHBondContact O-CD1 3.49Å
744	V	35.4	Very low	30.9	Very low	99 Å²	99	138.2 Å²	138.2	60%	0.6	71%	0.706	S	S	*	*	H	α-helix	trans	-90	-23.3	-171.3	179.5	0	0	0	0	113.7	L742	L742-V744 PolarHBondContact O-N 3.46Å
745	E	35.3	Very low	31	Very low	170 Å²	170	138.3 Å²	138.3	79%	0.794	70%	0.701	S	S	*	*	H	α-helix	trans	-90.3	-27.5	175.4	-71	-143.4	142.5	0	0	113.5	K748	E745-K748 PolarHBondContact O-N 3.03Å
746	Q	33.2	Very low	30.9	Very low	133 Å²	133	137.8 Å²	137.8	62%	0.621	70%	0.696	S	S	*	*	H	α-helix	trans	-74.5	-25.9	175	-70	-176.4	-28	0	0	112.7	K748	Q746-K748 VanDerWaalsContact C-N 3.34Å; Q746-K748 PolarHBondContact O-N 3.43Å
747	L	34.7	Very low	30.9	Very low	105 Å²	105	137.2 Å²	137.2	55%	0.55	70%	0.698	S	S	.	*	H	α-helix	trans	-76.4	-13.6	174.9	-86.7	163.3	0	0	0	114.2	K743	K743-L747 VanDerWaalsContact O-CD1 3.31Å; K743-L747 WeakPolarHBondContact O-CD1 3.49Å
748	K	33.4	Very low	30.9	Very low	155 Å²	155	133.2 Å²	133.2	67%	0.674	69%	0.692	S	S	*	*	H	α-helix	trans	-86.8	-25.3	174.8	-75.9	-177.9	177.6	178.4	0	113.6	E745 Q746	E745-K748 PolarHBondContact O-N 3.03Å; Q746-K748 VanDerWaalsContact C-N 3.34Å; Q746-K748 PolarHBondContact O-N 3.43Å
749	A	30.4	Very low	30.8	Very low	74 Å²	74	133.4 Å²	133.4	61%	0.612	69%	0.693	S	S	*	*	H	α-helix	trans	-77.5	-30.5	174.7	0	0	0	0	0	112.3	A751	A749-A751 VanDerWaalsContact C-N 3.32Å; A749-A751 PolarHBondContact O-N 2.89Å
750	A	31.3	Very low	30.8	Very low	67 Å²	67	137.9 Å²	137.9	55%	0.554	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-17.3	176.8	0	0	0	0	0	114
751	A	31.5	Very low	30.6	Very low	68 Å²	68	139 Å²	139	56%	0.562	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-16.4	178.4	0	0	0	0	0	114	A749	A749-A751 VanDerWaalsContact C-N 3.32Å; A749-A751 PolarHBondContact O-N 2.89Å
752	A	29.6	Very low	30.3	Very low	73 Å²	73	137 Å²	137	60%	0.603	69%	0.69	S	S	*	*	S	Bend	trans	-83.7	-8.5	-176.4	0	0	0	0	0	114.6
753	V	29.9	Very low	30.2	Very low	82 Å²	82	138 Å²	138	50%	0.497	69%	0.691	S	S	.	*	S	Bend	trans	-100.9	-12.9	-178.8	-178.6	0	0	0	0	112.6
754	R	30.3	Very low	30	Very low	193 Å²	193	138.8 Å²	138.8	73%	0.728	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	6.5	176.9	-80.1	-173.4	-172.6	169.2	4.8	115	G30	G30-R754 PolarHBondContact O-NH2 3.45Å; G30-R754 VanDerWaalsContact O-NH2 3.16Å
755	H	28.5	Very low	29.8	Very low	153 Å²	153	142.9 Å²	142.9	71%	0.708	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.6	17.7	-174.4	-146.9	-57.2	0	0	0	115.3
756	C	25.4	Very low	29.4	Very low	98 Å²	98	142.7 Å²	142.7	66%	0.662	71%	0.711	S	S	*	*	S	Bend	trans	-132.5	32.3	-171.6	-108.8	0	0	0	0	116.1
757	L	27.2	Very low	29.2	Very low	158 Å²	158	143.9 Å²	143.9	83%	0.827	72%	0.717	S	S	*	*	S	Bend	trans	-145.4	24.8	163.7	-83.1	-175.2	0	0	0	114.5	K604	K604-L757 VanDerWaalsContact NZ-CG 3.29Å
758	S	25.8	Very low	29.2	Very low	89 Å²	89	147.2 Å²	147.2	62%	0.622	73%	0.733	S	S	*	*	S	Bend	trans	-119.6	127.6	155.4	61.7	0	0	0	0	107.1
759	E	27.4	Very low	29	Very low	189 Å²	189	148.9 Å²	148.9	88%	0.883	74%	0.741	S	S	*	*			trans	90.7	96.4	174.6	-52.7	-167	148.9	0	0	118.6
760	R	30.6	Very low	29.1	Very low	247 Å²	247	148.5 Å²	148.5	93%	0.932	74%	0.744	S	S	*	*			trans	178.9	82.4	137.5	-95.4	-175.4	-165.3	-162.3	3.8	105.8
761	R	26.1	Very low	29.7	Very low	229 Å²	229	156 Å²	156	86%	0.864	78%	0.783	S	S	*	*				37.7	115.5	79	-95.3	-160.7	-176.9	168.4	3.1	115.4
762	Y	26.2	Very low	29.7	Very low	184 Å²	184	160.4 Å²	160.4	72%	0.722	79%	0.794	S	S	*	*			trans	89.3	125.2	140.5	-95.4	-107.5	0	0	0	121
763	E	28.4	Very low	29.7	Very low	166 Å²	166	164.9 Å²	164.9	78%	0.776	80%	0.804	S	S	*	*			trans	69.4	128.9	155.1	-65.7	163.4	-179.3	0	0	115.8
764	E	29.1	Very low	29.6	Very low	183 Å²	183	169.6 Å²	169.6	86%	0.855	82%	0.821	S	S	*	*			cis	-146.7	146.2	29.1	-63.3	160.7	143.6	0	0	106
765	E	32.2	Very low	29.6	Very low	185 Å²	185	168.2 Å²	168.2	86%	0.864	83%	0.827	S	S	*	*				-154.8	120.2	52.8	-72.9	176.3	144.8	0	0	109.3
766	M	26.2	Very low	29.7	Very low	165 Å²	165	169.1 Å²	169.1	81%	0.813	83%	0.834	S	S	*	*			trans	-65.4	143.8	136.8	-61.8	178.2	89.4	0	0	104.8
767	E	28.9	Very low	30	Very low	158 Å²	158	173.9 Å²	173.9	74%	0.738	85%	0.845	S	S	*	*				169.1	106.6	66	-160.8	175.5	-141.3	0	0	106.3
768	I	35.4	Very low	30.2	Very low	176 Å²	176	175 Å²	175	90%	0.903	85%	0.847	S	S	*	*			trans	-140.7	88	146.9	-57.6	-174.3	0	0	0	107
769	F	27.9	Very low	30.5	Very low	190 Å²	190	181.6 Å²	181.6	83%	0.833	86%	0.864	S	S	*	*			trans	-70.3	140.4	159.1	-99.3	-94.5	0	0	0	109.8
770	G	32.9	Very low	30.8	Very low	66 Å²	66	181 Å²	181	68%	0.68	86%	0.862	S	S	*	*			trans	106.5	74.4	144.7	0	0	0	0	0	117.9
771	T	45.1	Very low	30.8	Very low	223 Å²	223	175 Å²	175	100%	1.368	86%	0.856	S	S	*	*				-177.3	0	122.9	17.9	0	0	0	0	110.6

Retrieved 771 of 771 residues in 283.6 ms (Link to these results)

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