A0A077YZZ9_TRITR Loading...

Transglut N and Transglut core domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZZ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 456 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	83	Confident	95.5	Very high	47 Å²	47	50.6 Å²	50.6	23%	0.232	27%	0.27	C	S	.	.				0	22.4	0	-57.6	-175	-70	0	0	114.3	I3 N6 L26 I36 I137 S138 I140	M1-I3 HydrophobicContact CB-CG1 4.13Å; M1-I3 HydrophobicContact CE-CD1 4.14Å; M1-I3 HydrophobicContact CE-CG1 4.29Å; M1-I3 PolarHBondContact O-N 3.46Å; M1-N6 PolarHBondContact O-ND2 3.01Å; M1-L26 HydrophobicContact CB-CD2 4.45Å; M1-L26 HydrophobicContact CE-CB 4.01Å; M1-L26 HydrophobicContact SD-CB 4.36Å; M1-L26 HydrophobicContact SD-CD2 4.31Å; M1-I36 HydrophobicContact CB-CG2 3.98Å; M1-I36 HydrophobicContact CG-CG2 4Å; M1-I137 HydrophobicContact CG-CG2 4.09Å; M1-I137 HydrophobicContact SD-CG2 3.94Å; M1-S138 WeakPolarHBondContact CE-OG 3.39Å; M1-I140 HydrophobicContact SD-CD1 4.27Å; M1-I140 HydrophobicContact SD-CG1 4.38Å
2	F	91.9	Very high	95.8	Very high	79 Å²	79	46.5 Å²	46.5	35%	0.346	25%	0.248	S	C	.	.			trans	43.9	42.9	-178.6	-57.2	-72.1	0	0	0	114.9	V4 R5 N6 E35 L37 L100	F2-V4 PolarHBondContact O-N 3.25Å; F2-R5 HydrophobicContact CB-CB 4.38Å; F2-R5 PolarHBondContact O-N 2.86Å; F2-N6 PolarHBondContact O-N 2.93Å; F2-E35 HydrophobicContact CD2-CB 4.12Å; F2-L37 HydrophobicContact CE2-CB 3.61Å; F2-L37 HydrophobicContact CZ-CB 3.76Å; F2-L37 HydrophobicContact CZ-CD2 4.3Å; F2-L100 HydrophobicContact CD2-CD1 4.44Å; F2-L100 HydrophobicContact CE2-CD1 3.46Å; F2-L100 VanDerWaalsContact CE2-CD1 3.46Å; F2-L100 HydrophobicContact CZ-CD1 4.02Å
3	I	94.4	Very high	95.9	Very high	29 Å²	29	44.5 Å²	44.5	15%	0.149	24%	0.242	C	C	.	.	H	α-helix	trans	-51.2	-54.8	-162.1	-61.5	179.1	0	0	0	111.9	M1 R5 N6 A7 V18 K24 N25	M1-I3 HydrophobicContact CB-CG1 4.13Å; M1-I3 HydrophobicContact CE-CD1 4.14Å; M1-I3 HydrophobicContact CE-CG1 4.29Å; M1-I3 PolarHBondContact O-N 3.46Å; I3-R5 PolarHBondContact O-N 3.33Å; I3-N6 PolarHBondContact O-N 2.83Å; I3-A7 VanDerWaalsContact O-CB 3.27Å; I3-A7 WeakPolarHBondContact O-CB 3.16Å; I3-A7 PolarHBondContact O-N 3.19Å; I3-V18 HydrophobicContact CG2-CG1 4.1Å; I3-K24 HydrophobicContact CD1-CB 3.53Å; I3-N25 WeakPolarHBondContact CG2-O 3.19Å
4	V	95.7	Very high	96.1	Very high	71 Å²	71	48.7 Å²	48.7	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-62.4	-41.2	-178.1	-178.4	0	0	0	0	112.6	F2 A7 A8 V18 Y19	F2-V4 PolarHBondContact O-N 3.25Å; V4-A7 PolarHBondContact O-N 3.17Å; V4-A8 WeakPolarHBondContact O-CB 3.36Å; V4-A8 PolarHBondContact O-N 2.9Å; V4-V18 HydrophobicContact CG2-CG1 4.3Å; V4-Y19 HydrophobicContact CG1-CE1 4.02Å; V4-Y19 HydrophobicContact CG2-CD1 4.21Å; V4-Y19 HydrophobicContact CG2-CE1 3.78Å
5	R	97.1	Very high	96.2	Very high	145 Å²	145	45.6 Å²	45.6	55%	0.547	25%	0.247	S	C	.	.	H	α-helix	trans	-67.9	-45.1	-178.9	179.2	179.9	171.4	-141.2	-12.7	111.5	F2 I3 A9 E35	F2-R5 HydrophobicContact CB-CB 4.38Å; F2-R5 PolarHBondContact O-N 2.86Å; I3-R5 PolarHBondContact O-N 3.33Å; R5-A9 PolarHBondContact O-N 2.65Å; R5-A9 VanDerWaalsContact O-N 3.14Å; R5-E35 IonicContact CZ-OE2 2.71Å; R5-E35 VanDerWaalsContact CZ-OE2 3.26Å; R5-E35 IonicContact NH1-OE2 2.71Å; R5-E35 PolarHBondContact NH1-OE2 2.72Å; R5-E35 IonicContact NH2-OE1 3.26Å; R5-E35 IonicContact NH2-OE2 3.5Å; R5-E35 PolarHBondContact NH2-OE2 3.42Å
6	N	98	Very high	96.3	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.043	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-44.2	175.1	-72.4	-32	0	0	0	110.3	M1 F2 I3 A8 A9 H10 L26 F34 E35	M1-N6 PolarHBondContact O-ND2 3.01Å; F2-N6 PolarHBondContact O-N 2.93Å; I3-N6 PolarHBondContact O-N 2.83Å; N6-A8 VanDerWaalsContact C-N 3.32Å; N6-A8 PolarHBondContact O-N 3.17Å; N6-A9 PolarHBondContact O-N 2.71Å; N6-A9 VanDerWaalsContact O-N 3.16Å; N6-H10 WeakPolarHBondContact O-CB 3.4Å; N6-H10 PolarHBondContact O-CD2 3.18Å; N6-H10 PolarHBondContact O-N 3.38Å; N6-L26 HydrophobicContact CB-CD1 3.65Å; N6-F34 HydrophobicContact CB-CB 4.3Å; N6-E35 PolarHBondContact ND2-O 3.15Å; N6-E35 PolarHBondContact OD1-N 3.02Å
7	A	97.9	Very high	96.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-40.9	179.5	0	0	0	0	0	112.6	I3 V4 H10 H11 T12 A13 V18	I3-A7 VanDerWaalsContact O-CB 3.27Å; I3-A7 WeakPolarHBondContact O-CB 3.16Å; I3-A7 PolarHBondContact O-N 3.19Å; V4-A7 PolarHBondContact O-N 3.17Å; A7-H10 PolarHBondContact O-N 3.39Å; A7-H11 PolarHBondContact O-N 2.77Å; A7-T12 VanDerWaalsContact CA-OG1 3.23Å; A7-T12 WeakPolarHBondContact CA-OG1 3.25Å; A7-T12 CarbonylContact O-C 3.56Å; A7-T12 PolarHBondContact O-N 2.84Å; A7-T12 PolarHBondContact O-OG1 2.95Å; A7-T12 VanDerWaalsContact O-OG1 3.07Å; A7-A13 HydrophobicContact CB-CB 4.48Å; A7-A13 PolarHBondContact O-N 3.42Å; A7-V18 HydrophobicContact CB-CG1 3.88Å; A7-V18 HydrophobicContact CB-CG2 3.8Å
8	A	98	Very high	96.3	Very high	59 Å²	59	40.8 Å²	40.8	49%	0.488	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-47	173.8	0	0	0	0	0	112.2	V4 N6 H10 H11 A13	V4-A8 WeakPolarHBondContact O-CB 3.36Å; V4-A8 PolarHBondContact O-N 2.9Å; N6-A8 VanDerWaalsContact C-N 3.32Å; N6-A8 PolarHBondContact O-N 3.17Å; A8-H10 PolarHBondContact O-N 2.82Å; A8-H11 PolarHBondContact O-N 2.86Å; A8-A13 HydrophobicContact CB-CB 4.37Å
9	A	98.1	Very high	96.3	Very high	52 Å²	52	44.9 Å²	44.9	43%	0.43	23%	0.234	S	C	.	.	H	α-helix	trans	-63.8	-29.9	178.4	0	0	0	0	0	113	R5 N6 Q32	R5-A9 PolarHBondContact O-N 2.65Å; R5-A9 VanDerWaalsContact O-N 3.14Å; N6-A9 PolarHBondContact O-N 2.71Å; N6-A9 VanDerWaalsContact O-N 3.16Å; A9-Q32 PolarHBondContact O-NE2 2.73Å
10	H	98.4	Very high	96.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	8.6	-178.1	-78.5	-99.8	0	0	0	114.2	N6 A7 A8 T12 R29 Q32 P33	N6-H10 WeakPolarHBondContact O-CB 3.4Å; N6-H10 PolarHBondContact O-CD2 3.18Å; N6-H10 PolarHBondContact O-N 3.38Å; A7-H10 PolarHBondContact O-N 3.39Å; A8-H10 PolarHBondContact O-N 2.82Å; H10-T12 VanDerWaalsContact C-N 3.26Å; H10-T12 HydrophobicContact CB-CG2 4.41Å; H10-T12 WeakPolarHBondContact O-CG2 3.47Å; H10-T12 PolarHBondContact O-N 3.06Å; H10-R29 PolarHBondContact CE1-O 3.25Å; H10-R29 PolarHBondContact ND1-N 3.4Å; H10-R29 VanDerWaalsContact ND1-N 3.13Å; H10-R29 PolarHBondContact ND1-O 3.04Å; H10-R29 WeakPolarHBondContact O-CD 3.45Å; H10-R29 WeakPolarHBondContact O-CG 3.28Å; H10-R29 PolarHBondContact O-NE 2.84Å; H10-Q32 VanDerWaalsContact CE1-CB 3.43Å; H10-Q32 WeakPolarHBondContact CE1-CB 3.28Å; H10-Q32 VanDerWaalsContact CE1-CG 3.45Å; H10-Q32 WeakPolarHBondContact CE1-CG 3.45Å; H10-Q32 PolarHBondContact CE1-O 2.91Å; H10-Q32 VanDerWaalsContact CE1-O 3.26Å; H10-Q32 PolarHBondContact ND1-OE1 2.93Å; H10-P33 PolarHBondContact NE2-O 2.92Å
11	H	98.2	Very high	95.7	Very high	67 Å²	67	51.7 Å²	51.7	31%	0.31	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	42.9	-178.2	-56.8	-130.5	0	0	0	111.6	A7 A8 R29 W147 L165	A7-H11 PolarHBondContact O-N 2.77Å; A8-H11 PolarHBondContact O-N 2.86Å; H11-R29 PolarHBondContact O-NH2 2.87Å; H11-W147 HydrophobicContact CB-CE3 4.31Å; H11-W147 HydrophobicContact CB-CH2 3.87Å; H11-W147 HydrophobicContact CB-CZ2 4.15Å; H11-W147 HydrophobicContact CB-CZ3 3.97Å; H11-W147 AromaticContact CE1-CD1 3.96Å; H11-W147 AromaticContact CE1-CE2 3.76Å; H11-W147 AromaticContact CE1-NE1 3.57Å; H11-W147 AromaticContact ND1-CD2 3.97Å; H11-W147 AromaticContact ND1-CE2 3.4Å; H11-W147 AromaticContact ND1-CZ2 3.48Å; H11-W147 WeakPolarHBondContact ND1-CZ2 3.48Å; H11-W147 AromaticContact ND1-NE1 3.67Å; H11-L165 HydrophobicContact CB-CD2 4.44Å
12	T	98.6	Very high	95.8	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	29%	0.292	C	S	.	.			trans	-132.9	11.8	-179	53	0	0	0	0	111.6	A7 H10 D14 F15 V18 V27 R29 L143	A7-T12 VanDerWaalsContact CA-OG1 3.23Å; A7-T12 WeakPolarHBondContact CA-OG1 3.25Å; A7-T12 CarbonylContact O-C 3.56Å; A7-T12 PolarHBondContact O-N 2.84Å; A7-T12 PolarHBondContact O-OG1 2.95Å; A7-T12 VanDerWaalsContact O-OG1 3.07Å; H10-T12 VanDerWaalsContact C-N 3.26Å; H10-T12 HydrophobicContact CB-CG2 4.41Å; H10-T12 WeakPolarHBondContact O-CG2 3.47Å; H10-T12 PolarHBondContact O-N 3.06Å; T12-D14 PolarHBondContact O-N 2.97Å; T12-F15 HydrophobicContact CG2-CD2 4.22Å; T12-F15 HydrophobicContact CG2-CE2 4.02Å; T12-F15 WeakPolarHBondContact O-CD2 3.2Å; T12-F15 PolarHBondContact O-N 3.43Å; T12-V18 WeakPolarHBondContact O-CG2 3.45Å; T12-V27 WeakPolarHBondContact CB-O 3.44Å; T12-V27 HydrophobicContact CG2-CB 4.34Å; T12-V27 HydrophobicContact CG2-CG1 3.76Å; T12-V27 PolarHBondContact OG1-O 2.78Å; T12-R29 HydrophobicContact CG2-CG 4.08Å; T12-L143 HydrophobicContact CG2-CD1 4.17Å
13	A	97.9	Very high	95.7	Very high	20 Å²	20	57.8 Å²	57.8	17%	0.165	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.5	-179.9	0	0	0	0	0	113.5	A7 A8 Y19	A7-A13 HydrophobicContact CB-CB 4.48Å; A7-A13 PolarHBondContact O-N 3.42Å; A8-A13 HydrophobicContact CB-CB 4.37Å; A13-Y19 WeakPolarHBondContact O-CE2 3.46Å; A13-Y19 PolarHBondContact O-OH 2.6Å; A13-Y19 VanDerWaalsContact O-OH 3.06Å
14	D	97.8	Very high	95.6	Very high	104 Å²	104	61.3 Å²	61.3	56%	0.556	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-18.6	-176.4	-62.1	-35.8	0	0	0	113.3	T12 N16 F189	T12-D14 PolarHBondContact O-N 2.97Å; D14-N16 PolarHBondContact O-N 3.05Å; D14-F189 HydrophobicContact CB-CB 4.16Å; D14-F189 HydrophobicContact CB-CD1 4.13Å; D14-F189 HydrophobicContact CB-CD2 3.79Å; D14-F189 HydrophobicContact CB-CE2 4.17Å; D14-F189 HydrophobicContact CB-CG 3.76Å; D14-F189 WeakPolarHBondContact O-CB 3.22Å
15	F	98.4	Very high	95.5	Very high	2 Å²	2	58 Å²	58	1%	0.009	29%	0.293	C	S	.	.			trans	-60	125.6	179.8	-78	-77.6	0	0	0	111.5	T12 A17 V18 V27 L143 Q188 F189 L194 C286	T12-F15 HydrophobicContact CG2-CD2 4.22Å; T12-F15 HydrophobicContact CG2-CE2 4.02Å; T12-F15 WeakPolarHBondContact O-CD2 3.2Å; T12-F15 PolarHBondContact O-N 3.43Å; F15-A17 PolarHBondContact O-N 2.99Å; F15-V18 HydrophobicContact CB-CG2 4.2Å; F15-V18 VanDerWaalsContact O-CB 3.31Å; F15-V18 WeakPolarHBondContact O-CB 3.28Å; F15-V18 PolarHBondContact O-N 3.22Å; F15-V27 HydrophobicContact CB-CG2 4.35Å; F15-V27 HydrophobicContact CD2-CB 4.44Å; F15-V27 HydrophobicContact CD2-CG1 3.89Å; F15-V27 HydrophobicContact CE2-CG1 4.07Å; F15-V27 HydrophobicContact CG-CG1 4.43Å; F15-L143 HydrophobicContact CE2-CD1 3.87Å; F15-L143 HydrophobicContact CZ-CD1 3.92Å; F15-Q188 WeakPolarHBondContact CE1-O 3.4Å; F15-F189 AromaticContact CD1-CD1 3.76Å; F15-F189 HydrophobicContact CD1-CD1 3.76Å; F15-F189 HydrophobicContact CD1-CE1 4.47Å; F15-F189 AromaticContact CD2-CD1 3.92Å; F15-F189 HydrophobicContact CD2-CD1 3.92Å; F15-F189 HydrophobicContact CD2-CE1 4.07Å; F15-F189 AromaticContact CE1-CD1 3.67Å; F15-F189 HydrophobicContact CE1-CD1 3.67Å; F15-F189 HydrophobicContact CE1-CE1 4.06Å; F15-F189 AromaticContact CE2-CD1 3.85Å; F15-F189 HydrophobicContact CE2-CD1 3.85Å; F15-F189 AromaticContact CE2-CE1 3.62Å; F15-F189 HydrophobicContact CE2-CE1 3.62Å; F15-F189 AromaticContact CG-CD1 3.88Å; F15-F189 HydrophobicContact CG-CD1 3.88Å; F15-F189 HydrophobicContact CG-CE1 4.48Å; F15-F189 AromaticContact CZ-CD1 3.72Å; F15-F189 HydrophobicContact CZ-CD1 3.72Å; F15-F189 AromaticContact CZ-CE1 3.61Å; F15-F189 HydrophobicContact CZ-CE1 3.61Å; F15-L194 HydrophobicContact CD1-CB 4.03Å; F15-L194 HydrophobicContact CD1-CD1 4.5Å; F15-L194 HydrophobicContact CD1-CD2 4.07Å; F15-L194 HydrophobicContact CD1-CG 4.43Å; F15-L194 HydrophobicContact CE1-CB 4.19Å; F15-L194 HydrophobicContact CE1-CD1 4.08Å; F15-L194 HydrophobicContact CE1-CD2 4.45Å; F15-L194 HydrophobicContact CE1-CG 4.47Å; F15-L194 HydrophobicContact CG-CD2 4.49Å; F15-C286 WeakPolarHBondContact CZ-O 3.35Å
16	N	97.2	Very high	95.5	Very high	50 Å²	50	51.1 Å²	51.1	27%	0.267	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-49.5	-37	174.9	171.8	-89.1	0	0	0	113.3	D14 V18 Y19 R20 F189	D14-N16 PolarHBondContact O-N 3.05Å; N16-V18 PolarHBondContact O-N 3.41Å; N16-V18 VanDerWaalsContact O-N 3.08Å; N16-Y19 PolarHBondContact O-N 3.24Å; N16-R20 PolarHBondContact O-N 3.14Å; N16-R20 PolarHBondContact OD1-NE 2.75Å; N16-R20 PolarHBondContact OD1-NH2 2.85Å; N16-F189 WeakPolarHBondContact CB-O 3.5Å; N16-F189 PolarHBondContact N-O 2.92Å
17	A	95.9	Very high	95.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.008	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-57.3	-22.1	178.8	0	0	0	0	0	114.4	F15 Y19 K24 N25 V27 L194	F15-A17 PolarHBondContact O-N 2.99Å; A17-Y19 VanDerWaalsContact C-N 3.33Å; A17-K24 WeakPolarHBondContact O-CA 3.46Å; A17-N25 HydrophobicContact CB-CB 4.45Å; A17-N25 PolarHBondContact O-N 2.86Å; A17-V27 HydrophobicContact CB-CG2 4.45Å; A17-L194 HydrophobicContact CB-CD2 4.23Å
18	V	97.2	Very high	95.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-71.7	-27.4	178.4	171.7	0	0	0	0	112.1	I3 V4 A7 T12 F15 N16 V27	I3-V18 HydrophobicContact CG2-CG1 4.1Å; V4-V18 HydrophobicContact CG2-CG1 4.3Å; A7-V18 HydrophobicContact CB-CG1 3.88Å; A7-V18 HydrophobicContact CB-CG2 3.8Å; T12-V18 WeakPolarHBondContact O-CG2 3.45Å; F15-V18 HydrophobicContact CB-CG2 4.2Å; F15-V18 VanDerWaalsContact O-CB 3.31Å; F15-V18 WeakPolarHBondContact O-CB 3.28Å; F15-V18 PolarHBondContact O-N 3.22Å; N16-V18 PolarHBondContact O-N 3.41Å; N16-V18 VanDerWaalsContact O-N 3.08Å; V18-V27 HydrophobicContact CG2-CG2 4.19Å
19	Y	96.2	Very high	95.6	Very high	118 Å²	118	48 Å²	48	46%	0.463	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-3	-168.9	-57.3	-68.4	0	0	0	115.9	V4 A13 N16 A17	V4-Y19 HydrophobicContact CG1-CE1 4.02Å; V4-Y19 HydrophobicContact CG2-CD1 4.21Å; V4-Y19 HydrophobicContact CG2-CE1 3.78Å; A13-Y19 WeakPolarHBondContact O-CE2 3.46Å; A13-Y19 PolarHBondContact O-OH 2.6Å; A13-Y19 VanDerWaalsContact O-OH 3.06Å; N16-Y19 PolarHBondContact O-N 3.24Å; A17-Y19 VanDerWaalsContact C-N 3.33Å
20	R	92.5	Very high	95.6	Very high	52 Å²	52	45.5 Å²	45.5	20%	0.196	22%	0.221	C	C	.	.			trans	-52	144.5	179.2	-64.6	-176.5	-172.2	151.5	7.8	112.2	N16 K24 E195	N16-R20 PolarHBondContact O-N 3.14Å; N16-R20 PolarHBondContact OD1-NE 2.75Å; N16-R20 PolarHBondContact OD1-NH2 2.85Å; R20-K24 WeakPolarHBondContact O-CE 2.88Å; R20-K24 WeakPolarHBondContact O-CG 2.98Å; R20-E195 IonicContact CZ-OE1 2.61Å; R20-E195 IonicContact CZ-OE2 2.65Å; R20-E195 IonicContact NH1-OE1 3.74Å; R20-E195 PolarHBondContact NH1-OE1 3.17Å; R20-E195 IonicContact NH2-OE1 3.08Å; R20-E195 PolarHBondContact NH2-OE1 3.04Å; R20-E195 IonicContact NH2-OE2 2.83Å; R20-E195 PolarHBondContact NH2-OE2 2.65Å
21	E	87.5	Confident	95.5	Very high	180 Å²	180	46 Å²	46	84%	0.841	23%	0.227	S	C	*	.	S	Bend	trans	-68.2	-43.2	-175.1	-66.7	-174	161.3	0	0	113.1
22	N	86.3	Confident	95.4	Very high	163 Å²	163	44.9 Å²	44.9	87%	0.872	22%	0.222	S	C	*	.	S	Bend	trans	-109.3	-8.1	-168.8	-62.4	-47.4	0	0	0	114.7
23	D	87.8	Confident	95.3	Very high	92 Å²	92	47.1 Å²	47.1	49%	0.492	24%	0.236	S	C	.	.			trans	-151.7	66.5	-173.9	-172.6	21.2	0	0	0	110.4	N25	D23-N25 PolarHBondContact O-OD1 2.91Å; D23-N25 PolarHBondContact OD1-ND2 2.87Å
24	K	92.9	Very high	95.2	Very high	102 Å²	102	46.2 Å²	46.2	44%	0.443	23%	0.229	S	C	.	.			trans	-76.3	123.7	176	-63.7	-175.8	-178.3	178	0	109.1	I3 A17 R20	I3-K24 HydrophobicContact CD1-CB 3.53Å; A17-K24 WeakPolarHBondContact O-CA 3.46Å; R20-K24 WeakPolarHBondContact O-CE 2.88Å; R20-K24 WeakPolarHBondContact O-CG 2.98Å
25	N	94.7	Very high	95.1	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	21%	0.206	C	C	.	.			trans	-107.7	144.8	174.5	-50	112	0	0	0	110.7	I3 A17 D23 Y141	I3-N25 WeakPolarHBondContact CG2-O 3.19Å; A17-N25 HydrophobicContact CB-CB 4.45Å; A17-N25 PolarHBondContact O-N 2.86Å; D23-N25 PolarHBondContact O-OD1 2.91Å; D23-N25 PolarHBondContact OD1-ND2 2.87Å; N25-Y141 HydrophobicContact CB-CD2 3.79Å; N25-Y141 HydrophobicContact CB-CE2 3.62Å
26	L	96.7	Very high	95	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	123.8	170.5	176.5	62.1	0	0	0	108.6	M1 N6 I28 F34 I140 Y141	M1-L26 HydrophobicContact CB-CD2 4.45Å; M1-L26 HydrophobicContact CE-CB 4.01Å; M1-L26 HydrophobicContact SD-CB 4.36Å; M1-L26 HydrophobicContact SD-CD2 4.31Å; N6-L26 HydrophobicContact CB-CD1 3.65Å; L26-I28 HydrophobicContact CD1-CG2 3.75Å; L26-I28 HydrophobicContact CD2-CG2 4.15Å; L26-I28 HydrophobicContact CG-CG2 3.8Å; L26-F34 HydrophobicContact CD2-CD2 3.7Å; L26-F34 HydrophobicContact CD2-CE2 3.84Å; L26-F34 HydrophobicContact CD2-CG 4.49Å; L26-I140 HydrophobicContact CB-CG1 4.35Å; L26-I140 HydrophobicContact CB-CG2 4.27Å; L26-I140 HydrophobicContact CD2-CD1 4.24Å; L26-I140 HydrophobicContact CD2-CG1 4.45Å; L26-I140 HydrophobicContact CD2-CG2 4.14Å; L26-I140 HydrophobicContact CG-CG2 4.15Å; L26-I140 CarbonylContact O-C 3.48Å; L26-I140 WeakPolarHBondContact O-CA 3.49Å; L26-Y141 PolarHBondContact O-N 3.42Å
27	V	98.2	Very high	94.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118	173.7	-170.3	0	0	0	0	107.9	T12 F15 A17 V18 Y141 L143 L194	T12-V27 WeakPolarHBondContact CB-O 3.44Å; T12-V27 HydrophobicContact CG2-CB 4.34Å; T12-V27 HydrophobicContact CG2-CG1 3.76Å; T12-V27 PolarHBondContact OG1-O 2.78Å; F15-V27 HydrophobicContact CB-CG2 4.35Å; F15-V27 HydrophobicContact CD2-CB 4.44Å; F15-V27 HydrophobicContact CD2-CG1 3.89Å; F15-V27 HydrophobicContact CE2-CG1 4.07Å; F15-V27 HydrophobicContact CG-CG1 4.43Å; A17-V27 HydrophobicContact CB-CG2 4.45Å; V18-V27 HydrophobicContact CG2-CG2 4.19Å; V27-Y141 HydrophobicContact CG2-CD2 4.16Å; V27-L143 HydrophobicContact CG1-CD1 3.63Å; V27-L143 HydrophobicContact CG1-CG 4.04Å; V27-L194 HydrophobicContact CG1-CD2 4.3Å; V27-L194 HydrophobicContact CG2-CD2 3.72Å
28	I	98.4	Very high	94.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	165.5	-178.7	57.6	170.6	0	0	0	110.7	L26 F34 V105 I140 Y141 I142 L143	L26-I28 HydrophobicContact CD1-CG2 3.75Å; L26-I28 HydrophobicContact CD2-CG2 4.15Å; L26-I28 HydrophobicContact CG-CG2 3.8Å; I28-F34 HydrophobicContact CD1-CD1 3.48Å; I28-F34 VanDerWaalsContact CD1-CD1 3.48Å; I28-F34 HydrophobicContact CD1-CE1 3.42Å; I28-F34 VanDerWaalsContact CD1-CE1 3.42Å; I28-F34 HydrophobicContact CD1-CG 4.15Å; I28-F34 HydrophobicContact CD1-CZ 4.02Å; I28-F34 HydrophobicContact CG2-CB 4.14Å; I28-F34 HydrophobicContact CG2-CG 4.28Å; I28-V105 HydrophobicContact CD1-CG1 4.45Å; I28-I140 HydrophobicContact CD1-CG2 4.04Å; I28-I140 HydrophobicContact CG1-CG2 4.01Å; I28-Y141 WeakPolarHBondContact CG1-O 3.42Å; I28-Y141 PolarHBondContact N-O 2.8Å; I28-I142 HydrophobicContact CD1-CG1 4.16Å; I28-I142 HydrophobicContact CG1-CG1 4.07Å; I28-I142 WeakPolarHBondContact O-CA 3.44Å; I28-L143 PolarHBondContact O-N 2.81Å
29	R	98.7	Very high	94.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.7	174.1	-57.8	-174.4	-176.7	-83.8	0.2	109.7	H10 H11 T12 L143 F144 N145 W147	H10-R29 PolarHBondContact CE1-O 3.25Å; H10-R29 PolarHBondContact ND1-N 3.4Å; H10-R29 VanDerWaalsContact ND1-N 3.13Å; H10-R29 PolarHBondContact ND1-O 3.04Å; H10-R29 WeakPolarHBondContact O-CD 3.45Å; H10-R29 WeakPolarHBondContact O-CG 3.28Å; H10-R29 PolarHBondContact O-NE 2.84Å; H11-R29 PolarHBondContact O-NH2 2.87Å; T12-R29 HydrophobicContact CG2-CG 4.08Å; R29-L143 HydrophobicContact CG-CB 4.39Å; R29-F144 PolarHBondContact NH1-O 3.17Å; R29-F144 VanDerWaalsContact NH1-O 3.13Å; R29-N145 HydrophobicContact CB-CB 3.68Å; R29-W147 VanDerWaalsContact CZ-CZ3 3.45Å; R29-W147 VanDerWaalsContact NE-CZ3 3.26Å
30	R	98.3	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	156.4	-176.9	67.5	-169	-172.2	154.3	14	112.9	Q32 V105 P107 C109 I142 L143 F144 N145 D151 S212	R30-Q32 PolarHBondContact O-N 3.31Å; R30-Q32 VanDerWaalsContact O-N 3.16Å; R30-V105 HydrophobicContact CB-CG2 3.93Å; R30-P107 WeakPolarHBondContact CD-O 3.4Å; R30-P107 WeakPolarHBondContact CG-O 3.25Å; R30-P107 PolarHBondContact NE-O 3.34Å; R30-P107 PolarHBondContact NH1-O 3.13Å; R30-P107 PolarHBondContact NH2-O 2.65Å; R30-C109 HydrophobicContact CB-CB 3.93Å; R30-C109 WeakPolarHBondContact CD-O 3.41Å; R30-C109 PolarHBondContact NH1-O 2.87Å; R30-I142 HydrophobicContact CB-CG2 3.98Å; R30-L143 WeakPolarHBondContact CG-O 3.45Å; R30-L143 PolarHBondContact N-O 3.48Å; R30-F144 VanDerWaalsContact NH2-CE1 3.29Å; R30-N145 HydrophobicContact CG-CB 4.29Å; R30-N145 WeakPolarHBondContact O-CB 3.4Å; R30-N145 PolarHBondContact O-ND2 3.13Å; R30-D151 WeakPolarHBondContact CG-OD2 3.39Å; R30-D151 IonicContact CZ-OD1 3.64Å; R30-D151 IonicContact CZ-OD2 3.73Å; R30-D151 IonicContact NE-OD1 3.98Å; R30-D151 PolarHBondContact NE-OD1 2.94Å; R30-D151 IonicContact NE-OD2 2.73Å; R30-D151 PolarHBondContact NE-OD2 3.17Å; R30-D151 IonicContact NH2-OD1 3.57Å; R30-D151 PolarHBondContact NH2-OD1 3.46Å; R30-D151 IonicContact NH2-OD2 3.4Å; R30-S212 PolarHBondContact NH1-O 3.33Å
31	G	96.9	Very high	94.1	Very high	11 Å²	11	51.1 Å²	51.1	11%	0.113	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	0.1	-178.1	0	0	0	0	0	115.5	V105 N148	G31-V105 WeakPolarHBondContact CA-O 3.48Å; G31-V105 PolarHBondContact N-O 3.1Å; G31-N148 PolarHBondContact O-ND2 3.21Å
32	Q	96.2	Very high	94.4	Very high	44 Å²	44	46.4 Å²	46.4	21%	0.206	23%	0.231	C	C	.	.	S	Bend	trans	-116.6	137.7	178.8	-178.3	177.5	-4.6	0	0	110.9	A9 H10 R30	A9-Q32 PolarHBondContact O-NE2 2.73Å; H10-Q32 VanDerWaalsContact CE1-CB 3.43Å; H10-Q32 WeakPolarHBondContact CE1-CB 3.28Å; H10-Q32 VanDerWaalsContact CE1-CG 3.45Å; H10-Q32 WeakPolarHBondContact CE1-CG 3.45Å; H10-Q32 PolarHBondContact CE1-O 2.91Å; H10-Q32 VanDerWaalsContact CE1-O 3.26Å; H10-Q32 PolarHBondContact ND1-OE1 2.93Å; R30-Q32 PolarHBondContact O-N 3.31Å; R30-Q32 VanDerWaalsContact O-N 3.16Å
33	P	95.5	Very high	94.7	Very high	48 Å²	48	43.3 Å²	43.3	31%	0.312	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	142.9	179.9	-16.3	30.9	0	0	0	113.6	H10 Y88 K102 I103 C104	H10-P33 PolarHBondContact NE2-O 2.92Å; P33-Y88 WeakPolarHBondContact CG-OH 3.4Å; P33-K102 HydrophobicContact CB-CD 4.3Å; P33-K102 VanDerWaalsContact CB-CE 3.5Å; P33-K102 HydrophobicContact CB-CG 3.88Å; P33-I103 CarbonylContact C-O 3.44Å; P33-I103 WeakPolarHBondContact CA-O 3.43Å; P33-C104 HydrophobicContact CB-CB 4.22Å; P33-C104 HydrophobicContact CG-CB 4.13Å
34	F	96.4	Very high	94.8	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	160.5	172.3	67.6	-80.7	0	0	0	111	N6 L26 I28 I36 F55 I103 V105	N6-F34 HydrophobicContact CB-CB 4.3Å; L26-F34 HydrophobicContact CD2-CD2 3.7Å; L26-F34 HydrophobicContact CD2-CE2 3.84Å; L26-F34 HydrophobicContact CD2-CG 4.49Å; I28-F34 HydrophobicContact CD1-CD1 3.48Å; I28-F34 VanDerWaalsContact CD1-CD1 3.48Å; I28-F34 HydrophobicContact CD1-CE1 3.42Å; I28-F34 VanDerWaalsContact CD1-CE1 3.42Å; I28-F34 HydrophobicContact CD1-CG 4.15Å; I28-F34 HydrophobicContact CD1-CZ 4.02Å; I28-F34 HydrophobicContact CG2-CB 4.14Å; I28-F34 HydrophobicContact CG2-CG 4.28Å; F34-I36 HydrophobicContact CD2-CG2 3.98Å; F34-I36 HydrophobicContact CE2-CG2 3.8Å; F34-F55 HydrophobicContact CZ-CZ 4.28Å; F34-I103 HydrophobicContact CD1-CB 4.27Å; F34-I103 VanDerWaalsContact CD1-O 3.26Å; F34-I103 WeakPolarHBondContact CD1-O 3.04Å; F34-I103 HydrophobicContact CE1-CB 3.73Å; F34-I103 HydrophobicContact CE1-CG2 3.63Å; F34-I103 HydrophobicContact CE2-CB 4.15Å; F34-I103 HydrophobicContact CE2-CD1 3.99Å; F34-I103 HydrophobicContact CZ-CB 3.68Å; F34-I103 HydrophobicContact CZ-CD1 4.01Å; F34-I103 HydrophobicContact CZ-CG1 4.47Å; F34-I103 HydrophobicContact CZ-CG2 3.64Å; F34-I103 PolarHBondContact N-O 3.36Å; F34-I103 PolarHBondContact O-N 3.43Å; F34-V105 HydrophobicContact CE1-CG1 4Å
35	E	95.9	Very high	94.6	Very high	20 Å²	20	38.4 Å²	38.4	9%	0.093	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140.1	-177	-65.9	-179.2	171.9	0	0	112.7	F2 R5 N6 K92 L100 L101	F2-E35 HydrophobicContact CD2-CB 4.12Å; R5-E35 IonicContact CZ-OE2 2.71Å; R5-E35 VanDerWaalsContact CZ-OE2 3.26Å; R5-E35 IonicContact NH1-OE2 2.71Å; R5-E35 PolarHBondContact NH1-OE2 2.72Å; R5-E35 IonicContact NH2-OE1 3.26Å; R5-E35 IonicContact NH2-OE2 3.5Å; R5-E35 PolarHBondContact NH2-OE2 3.42Å; N6-E35 PolarHBondContact ND2-O 3.15Å; N6-E35 PolarHBondContact OD1-N 3.02Å; E35-K92 HydrophobicContact CG-CD 4.27Å; E35-K92 VanDerWaalsContact OE1-CD 3.28Å; E35-K92 WeakPolarHBondContact OE1-CD 3.48Å; E35-K92 IonicContact OE1-NZ 2.72Å; E35-K92 PolarHBondContact OE1-NZ 3.13Å; E35-L100 HydrophobicContact CB-CD1 4.39Å; E35-L101 CarbonylContact C-O 3.59Å; E35-L101 VanDerWaalsContact CA-O 3.25Å; E35-L101 WeakPolarHBondContact CA-O 3.26Å
36	I	95	Very high	94.4	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.8	168	68.3	171.8	0	0	0	110.7	M1 F34 L38 L101 I103 L116	M1-I36 HydrophobicContact CB-CG2 3.98Å; M1-I36 HydrophobicContact CG-CG2 4Å; F34-I36 HydrophobicContact CD2-CG2 3.98Å; F34-I36 HydrophobicContact CE2-CG2 3.8Å; I36-L38 HydrophobicContact CD1-CD2 4.01Å; I36-L38 HydrophobicContact CD1-CG 4.35Å; I36-L101 HydrophobicContact CD1-CD1 4.3Å; I36-L101 HydrophobicContact CG1-CB 3.94Å; I36-L101 HydrophobicContact CG1-CD1 4.31Å; I36-L101 PolarHBondContact N-O 2.82Å; I36-L101 PolarHBondContact O-N 2.93Å; I36-I103 HydrophobicContact CD1-CD1 3.46Å; I36-I103 VanDerWaalsContact CD1-CD1 3.46Å; I36-I103 HydrophobicContact CG1-CD1 3.66Å; I36-I103 HydrophobicContact CG2-CD1 4.41Å; I36-L116 HydrophobicContact CD1-CD2 4.17Å
37	L	94.3	Very high	94	Very high	63 Å²	63	45.9 Å²	45.9	33%	0.33	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.9	172	-175.7	67.5	0	0	0	108.2	F2 Q98 L100	F2-L37 HydrophobicContact CE2-CB 3.61Å; F2-L37 HydrophobicContact CZ-CB 3.76Å; F2-L37 HydrophobicContact CZ-CD2 4.3Å; L37-Q98 HydrophobicContact CD1-CB 4.18Å; L37-L100 HydrophobicContact CD1-CB 4.24Å
38	L	93.5	Very high	93.7	Very high	13 Å²	13	48.9 Å²	48.9	7%	0.068	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	141.6	170.4	-57.4	-178.7	0	0	0	108.8	I36 F40 L51 Q98 L99 L101 V118	I36-L38 HydrophobicContact CD1-CD2 4.01Å; I36-L38 HydrophobicContact CD1-CG 4.35Å; L38-F40 HydrophobicContact CB-CE1 4.36Å; L38-F40 HydrophobicContact CB-CE2 4.23Å; L38-F40 HydrophobicContact CB-CZ 3.87Å; L38-F40 HydrophobicContact CD1-CZ 4.06Å; L38-L51 HydrophobicContact CD1-CD1 4.45Å; L38-L51 HydrophobicContact CD1-CD2 4.13Å; L38-Q98 WeakPolarHBondContact O-CA 3.43Å; L38-L99 HydrophobicContact CB-CB 4.42Å; L38-L99 HydrophobicContact CD1-CD2 4.49Å; L38-L99 PolarHBondContact N-O 3.06Å; L38-L99 PolarHBondContact O-N 3.08Å; L38-L101 HydrophobicContact CD1-CD1 3.75Å; L38-L101 HydrophobicContact CG-CD1 4.35Å; L38-V118 HydrophobicContact CD1-CG1 4.28Å; L38-V118 HydrophobicContact CD1-CG2 4.07Å; L38-V118 HydrophobicContact CD2-CG2 3.92Å
39	S	92.6	Very high	93.4	Very high	82 Å²	82	49.9 Å²	49.9	57%	0.573	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.3	174.3	-62.1	0	0	0	0	108.6	T97	S39-T97 WeakPolarHBondContact CA-O 3.38Å
40	F	91.1	Very high	93.1	Very high	50 Å²	50	52.1 Å²	52.1	22%	0.219	27%	0.273	C	S	.	.			trans	-103.7	165.4	-177.6	-57	-67.8	0	0	0	110.9	L38 R42 L51 T97 L99 T120	L38-F40 HydrophobicContact CB-CE1 4.36Å; L38-F40 HydrophobicContact CB-CE2 4.23Å; L38-F40 HydrophobicContact CB-CZ 3.87Å; L38-F40 HydrophobicContact CD1-CZ 4.06Å; F40-R42 VanDerWaalsContact C-N 3.3Å; F40-R42 VanDerWaalsContact CB-O 3.28Å; F40-R42 WeakPolarHBondContact CB-O 3.35Å; F40-L51 HydrophobicContact CE1-CD1 4.32Å; F40-L51 HydrophobicContact CZ-CD1 4.23Å; F40-L51 HydrophobicContact CZ-CD2 4.21Å; F40-T97 WeakPolarHBondContact CD2-O 3.42Å; F40-T97 PolarHBondContact N-O 3.44Å; F40-T97 WeakPolarHBondContact O-CB 3.44Å; F40-L99 HydrophobicContact CE2-CB 3.63Å; F40-L99 HydrophobicContact CE2-CD2 3.88Å; F40-L99 HydrophobicContact CE2-CG 4.42Å; F40-L99 HydrophobicContact CZ-CB 4.38Å; F40-L99 HydrophobicContact CZ-CD2 4Å; F40-T120 HydrophobicContact CE1-CG2 4.25Å
41	Y	90.3	Very high	92.8	Very high	201 Å²	201	52.3 Å²	52.3	79%	0.788	27%	0.274	S	S	*	.	S	Bend	trans	-78.2	-17	176.2	70.9	-90.2	0	0	0	113
42	R	92.9	Very high	92.7	Very high	81 Å²	81	54.4 Å²	54.4	31%	0.306	28%	0.28	S	S	.	.	S	Bend	trans	-146.1	168.9	176.3	67.7	169.1	174.7	78.7	-4.6	110.3	F40 D49	F40-R42 VanDerWaalsContact C-N 3.3Å; F40-R42 VanDerWaalsContact CB-O 3.28Å; F40-R42 WeakPolarHBondContact CB-O 3.35Å; R42-D49 IonicContact CZ-OD1 3.55Å; R42-D49 IonicContact CZ-OD2 3.45Å; R42-D49 IonicContact NH1-OD1 3.57Å; R42-D49 IonicContact NH1-OD2 2.72Å; R42-D49 PolarHBondContact NH1-OD2 2.89Å; R42-D49 IonicContact NH2-OD1 2.65Å; R42-D49 PolarHBondContact NH2-OD1 3.39Å; R42-D49 IonicContact NH2-OD2 3.33Å; R42-D49 PolarHBondContact NH2-OD2 2.89Å
43	D	92.7	Very high	92.6	Very high	98 Å²	98	52.3 Å²	52.3	52%	0.524	27%	0.27	S	S	.	.			trans	-61.4	140.9	174.9	-65.4	-5.4	0	0	0	110.4	G96 T97	D43-G96 VanDerWaalsContact OD1-CA 3.25Å; D43-G96 WeakPolarHBondContact OD1-CA 3.34Å; D43-T97 WeakPolarHBondContact OD1-CG2 3.28Å; D43-T97 PolarHBondContact OD1-N 2.91Å
44	A	89.6	Confident	92.7	Very high	23 Å²	23	50.4 Å²	50.4	19%	0.19	26%	0.257	C	S	.	.			trans	-78.1	128.2	176.9	0	0	0	0	0	109.7	L75 L94	A44-L75 HydrophobicContact CB-CD1 4.32Å; A44-L94 HydrophobicContact CB-CD1 4.14Å
45	D	89.9	Confident	92.7	Very high	68 Å²	68	50.3 Å²	50.3	36%	0.364	26%	0.257	S	S	.	.			trans	-109.1	110	178.7	-177.2	-25.6	0	0	0	108.8	D47 V48 D49	D45-D47 PolarHBondContact O-N 2.82Å; D45-D47 VanDerWaalsContact O-N 3.17Å; D45-D47 WeakPolarHBondContact OD1-CB 3.19Å; D45-D47 PolarHBondContact OD1-N 3.19Å; D45-V48 HydrophobicContact CB-CB 4.15Å; D45-V48 HydrophobicContact CB-CG2 4.46Å; D45-V48 PolarHBondContact O-N 3.01Å; D45-V48 PolarHBondContact OD1-N 3.14Å; D45-V48 WeakPolarHBondContact OD2-CG2 3.36Å; D45-D49 PolarHBondContact N-OD2 2.97Å; D45-D49 WeakPolarHBondContact O-CA 3.39Å; D45-D49 WeakPolarHBondContact O-CB 3.46Å; D45-D49 PolarHBondContact O-N 2.84Å
46	A	88.9	Confident	92.8	Very high	23 Å²	23	50.6 Å²	50.6	19%	0.19	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.1	-177.1	0	0	0	0	0	113.5	L75 Q76 K123	A46-L75 HydrophobicContact CB-CB 4.05Å; A46-Q76 HydrophobicContact CB-CG 4.17Å; A46-K123 WeakPolarHBondContact O-CE 3.43Å; A46-K123 PolarHBondContact O-NZ 2.95Å
47	D	89.8	Confident	92.9	Very high	136 Å²	136	50.7 Å²	50.7	73%	0.727	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-25.1	179.8	-67.4	-35.4	0	0	0	112.1	D45 K123	D45-D47 PolarHBondContact O-N 2.82Å; D45-D47 VanDerWaalsContact O-N 3.17Å; D45-D47 WeakPolarHBondContact OD1-CB 3.19Å; D45-D47 PolarHBondContact OD1-N 3.19Å; D47-K123 WeakPolarHBondContact O-CD 3.35Å
48	V	92	Very high	92.9	Very high	63 Å²	63	49 Å²	49	38%	0.382	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-35.7	-174.9	180	0	0	0	0	112.6	D45 L122 K123	D45-V48 HydrophobicContact CB-CB 4.15Å; D45-V48 HydrophobicContact CB-CG2 4.46Å; D45-V48 PolarHBondContact O-N 3.01Å; D45-V48 PolarHBondContact OD1-N 3.14Å; D45-V48 WeakPolarHBondContact OD2-CG2 3.36Å; V48-L122 HydrophobicContact CG1-CD2 3.83Å; V48-K123 PolarHBondContact O-N 3.2Å
49	D	91.8	Very high	92.8	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.112	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	141.5	-168.5	-61	-36.3	0	0	0	112.8	R42 D45 L75 K123	R42-D49 IonicContact CZ-OD1 3.55Å; R42-D49 IonicContact CZ-OD2 3.45Å; R42-D49 IonicContact NH1-OD1 3.57Å; R42-D49 IonicContact NH1-OD2 2.72Å; R42-D49 PolarHBondContact NH1-OD2 2.89Å; R42-D49 IonicContact NH2-OD1 2.65Å; R42-D49 PolarHBondContact NH2-OD1 3.39Å; R42-D49 IonicContact NH2-OD2 3.33Å; R42-D49 PolarHBondContact NH2-OD2 2.89Å; D45-D49 PolarHBondContact N-OD2 2.97Å; D45-D49 WeakPolarHBondContact O-CA 3.39Å; D45-D49 WeakPolarHBondContact O-CB 3.46Å; D45-D49 PolarHBondContact O-N 2.84Å; D49-L75 HydrophobicContact CB-CD1 3.75Å; D49-K123 WeakPolarHBondContact O-CE 3.35Å
50	E	92	Very high	92.8	Very high	47 Å²	47	59.1 Å²	59.1	22%	0.22	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.8	167.8	-170	-177.1	-150.9	0	0	109.3	K52 T120 S121 K123	E50-K52 VanDerWaalsContact CD-CE 3.42Å; E50-K52 WeakPolarHBondContact OE1-CE 3.49Å; E50-K52 IonicContact OE1-NZ 3.04Å; E50-K52 PolarHBondContact OE1-NZ 3.38Å; E50-K52 IonicContact OE2-NZ 3.46Å; E50-K52 PolarHBondContact OE2-NZ 2.96Å; E50-T120 WeakPolarHBondContact O-CA 3.25Å; E50-S121 PolarHBondContact N-O 2.84Å; E50-S121 PolarHBondContact O-N 3.18Å; E50-S121 PolarHBondContact OE2-OG 3.16Å; E50-K123 HydrophobicContact CB-CG 4.08Å
51	L	92.7	Very high	93	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.026	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.2	175.4	179.8	69.2	0	0	0	109.7	L38 F40 V73 L75 L99 L101 V118 T120	L38-L51 HydrophobicContact CD1-CD1 4.45Å; L38-L51 HydrophobicContact CD1-CD2 4.13Å; F40-L51 HydrophobicContact CE1-CD1 4.32Å; F40-L51 HydrophobicContact CZ-CD1 4.23Å; F40-L51 HydrophobicContact CZ-CD2 4.21Å; L51-V73 HydrophobicContact CB-CB 4.3Å; L51-V73 HydrophobicContact CD2-CB 3.95Å; L51-V73 HydrophobicContact CD2-CG1 4.11Å; L51-V73 HydrophobicContact CD2-CG2 4.21Å; L51-V73 HydrophobicContact CG-CB 4.17Å; L51-V73 HydrophobicContact CG-CG2 4.31Å; L51-V73 PolarHBondContact O-N 2.85Å; L51-L75 HydrophobicContact CB-CD1 4.48Å; L51-L75 HydrophobicContact CB-CD2 3.96Å; L51-L75 HydrophobicContact CB-CG 4.35Å; L51-L75 HydrophobicContact CD2-CD2 3.82Å; L51-L99 HydrophobicContact CD2-CD2 3.34Å; L51-L101 HydrophobicContact CD2-CD1 4.49Å; L51-V118 HydrophobicContact CD1-CG1 3.52Å; L51-T120 HydrophobicContact CD1-CG2 3.67Å
52	K	93.9	Very high	93.3	Very high	54 Å²	54	51 Å²	51	24%	0.235	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.5	174.3	-71.9	171.4	176.2	143.8	0	110.6	E50 V70 M71 V119	E50-K52 VanDerWaalsContact CD-CE 3.42Å; E50-K52 WeakPolarHBondContact OE1-CE 3.49Å; E50-K52 IonicContact OE1-NZ 3.04Å; E50-K52 PolarHBondContact OE1-NZ 3.38Å; E50-K52 IonicContact OE2-NZ 3.46Å; E50-K52 PolarHBondContact OE2-NZ 2.96Å; K52-V70 HydrophobicContact CB-CG1 4.31Å; K52-V70 HydrophobicContact CD-CG1 4.05Å; K52-V70 HydrophobicContact CG-CG1 4.3Å; K52-M71 CarbonylContact C-O 3.45Å; K52-M71 VanDerWaalsContact CA-O 3.26Å; K52-M71 WeakPolarHBondContact CA-O 2.93Å; K52-V119 HydrophobicContact CB-CB 4.17Å; K52-V119 PolarHBondContact N-O 2.66Å; K52-V119 PolarHBondContact O-N 2.8Å
53	L	95.1	Very high	93.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.3	164.9	-54.5	-179.9	0	0	0	108.1	F55 V70 M71 V73 A89 L101 I103 L116 V118	L53-F55 HydrophobicContact CB-CE2 4Å; L53-V70 WeakPolarHBondContact O-CA 3.47Å; L53-M71 HydrophobicContact CB-CB 4.43Å; L53-M71 HydrophobicContact CB-CE 4.25Å; L53-M71 HydrophobicContact CD1-CE 4.25Å; L53-M71 PolarHBondContact N-O 2.89Å; L53-M71 PolarHBondContact O-N 2.83Å; L53-V73 HydrophobicContact CD1-CG2 4.03Å; L53-V73 HydrophobicContact CG-CG2 3.77Å; L53-A89 HydrophobicContact CD1-CB 3.88Å; L53-L101 HydrophobicContact CD1-CD1 4.14Å; L53-L101 HydrophobicContact CD2-CD1 4.28Å; L53-I103 HydrophobicContact CD1-CD1 3.5Å; L53-I103 VanDerWaalsContact CD1-CD1 3.5Å; L53-I103 HydrophobicContact CD1-CG1 3.91Å; L53-L116 HydrophobicContact CB-CD1 4.23Å; L53-L116 HydrophobicContact CD2-CD1 4.49Å; L53-V118 HydrophobicContact CD2-CG2 3.81Å
54	V	95.9	Very high	93.6	Very high	8 Å²	8	52.8 Å²	52.8	5%	0.048	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116	179.7	-178.1	0	0	0	0	108.6	E56 R68 V69 V70 K117 V119	V54-E56 HydrophobicContact CG1-CG 4.05Å; V54-R68 HydrophobicContact CG1-CG 4.49Å; V54-V69 CarbonylContact C-O 3.59Å; V54-V69 WeakPolarHBondContact CA-O 3.31Å; V54-V70 HydrophobicContact CG1-CG2 4.29Å; V54-V70 HydrophobicContact CG2-CG1 4.23Å; V54-V70 HydrophobicContact CG2-CG2 4.19Å; V54-K117 HydrophobicContact CB-CB 4.22Å; V54-K117 PolarHBondContact N-O 2.82Å; V54-K117 PolarHBondContact O-N 2.91Å; V54-V119 HydrophobicContact CG2-CB 4.5Å; V54-V119 HydrophobicContact CG2-CG2 3.77Å
55	F	97.2	Very high	93.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.3	174.8	-70.3	-102.3	0	0	0	108.9	F34 L53 R68 V69 M71 W87 I103 W114 N115 L116 I140	F34-F55 HydrophobicContact CZ-CZ 4.28Å; L53-F55 HydrophobicContact CB-CE2 4Å; F55-R68 CarbonylContact O-C 3.57Å; F55-R68 VanDerWaalsContact O-CA 3.27Å; F55-R68 WeakPolarHBondContact O-CA 3.48Å; F55-V69 HydrophobicContact CB-CB 4.33Å; F55-V69 PolarHBondContact N-O 2.71Å; F55-V69 PolarHBondContact O-N 3.16Å; F55-M71 HydrophobicContact CD2-CE 3.73Å; F55-M71 HydrophobicContact CE2-CE 3.2Å; F55-M71 HydrophobicContact CZ-CE 4.1Å; F55-W87 HydrophobicContact CB-CH2 4.31Å; F55-W87 HydrophobicContact CB-CZ3 4.23Å; F55-W87 HydrophobicContact CD1-CH2 4.23Å; F55-W87 AromaticContact CD1-CZ3 3.82Å; F55-W87 HydrophobicContact CD1-CZ3 3.82Å; F55-W87 HydrophobicContact CD2-CE3 4.49Å; F55-W87 AromaticContact CD2-CZ3 3.98Å; F55-W87 HydrophobicContact CD2-CZ3 3.98Å; F55-W87 HydrophobicContact CE1-CZ3 4.09Å; F55-W87 HydrophobicContact CE2-CZ3 4.27Å; F55-W87 HydrophobicContact CG-CH2 4.23Å; F55-W87 AromaticContact CG-CZ3 3.74Å; F55-W87 HydrophobicContact CG-CZ3 3.74Å; F55-W87 HydrophobicContact CZ-CZ3 4.3Å; F55-I103 HydrophobicContact CZ-CG2 4.27Å; F55-W114 HydrophobicContact CB-CE3 3.73Å; F55-W114 HydrophobicContact CB-CZ3 3.96Å; F55-N115 WeakPolarHBondContact CA-O 3.31Å; F55-L116 HydrophobicContact CD1-CB 4.5Å; F55-L116 HydrophobicContact CD1-CD1 4.41Å; F55-L116 HydrophobicContact CD2-CD1 4.05Å; F55-L116 HydrophobicContact CE1-CB 4.27Å; F55-L116 HydrophobicContact CE1-CD1 4.02Å; F55-L116 HydrophobicContact CE2-CD1 3.59Å; F55-L116 HydrophobicContact CG-CD1 4.44Å; F55-L116 HydrophobicContact CZ-CD1 3.6Å; F55-L116 HydrophobicContact CZ-CD2 4.36Å; F55-L116 HydrophobicContact CZ-CG 4.41Å; F55-I140 HydrophobicContact CE1-CD1 4.17Å
56	E	97.4	Very high	94	Very high	26 Å²	26	54.9 Å²	54.9	12%	0.121	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.8	179.9	-74.5	173.2	174.2	0	0	111	V54 P61 T67 R68 W114 N115 K117	V54-E56 HydrophobicContact CG1-CG 4.05Å; E56-P61 HydrophobicContact CB-CB 3.85Å; E56-P61 HydrophobicContact CB-CG 3.87Å; E56-P61 HydrophobicContact CG-CB 3.73Å; E56-P61 HydrophobicContact CG-CG 4.17Å; E56-T67 WeakPolarHBondContact CA-O 3.26Å; E56-R68 HydrophobicContact CG-CB 4.21Å; E56-R68 HydrophobicContact CG-CG 3.78Å; E56-R68 WeakPolarHBondContact OE1-CD 3.01Å; E56-R68 IonicContact OE1-CZ 2.65Å; E56-R68 IonicContact OE1-NE 3.84Å; E56-R68 PolarHBondContact OE1-NE 3.28Å; E56-W114 CarbonylContact O-C 3.49Å; E56-W114 WeakPolarHBondContact O-CA 3.48Å; E56-N115 PolarHBondContact N-O 2.98Å; E56-N115 PolarHBondContact O-N 3.48Å; E56-K117 IonicContact OE2-NZ 2.71Å; E56-K117 PolarHBondContact OE2-NZ 3.44Å
57	I	97.4	Very high	94.4	Very high	3 Å²	3	54 Å²	54	2%	0.015	32%	0.315	C	S	.	.			trans	-140.7	143.9	175.9	-173.7	165.7	0	0	0	111.4	T67 I110 C113 W114 F208	I57-T67 HydrophobicContact CG2-CG2 4.15Å; I57-T67 PolarHBondContact N-O 3.18Å; I57-T67 WeakPolarHBondContact O-CB 3.27Å; I57-I110 HydrophobicContact CD1-CG2 4.05Å; I57-I110 HydrophobicContact CG2-CD1 4.49Å; I57-I110 HydrophobicContact CG2-CG2 4.45Å; I57-C113 WeakPolarHBondContact CG1-O 3.32Å; I57-W114 HydrophobicContact CB-CD2 3.63Å; I57-W114 HydrophobicContact CB-CE3 3.71Å; I57-W114 HydrophobicContact CB-CG 4.09Å; I57-W114 HydrophobicContact CB-CZ2 4.44Å; I57-W114 HydrophobicContact CB-CZ3 4.15Å; I57-W114 HydrophobicContact CD1-CD2 4.26Å; I57-W114 HydrophobicContact CD1-CG 4.19Å; I57-W114 HydrophobicContact CG1-CD2 4.49Å; I57-W114 HydrophobicContact CG2-CD2 3.81Å; I57-W114 HydrophobicContact CG2-CE3 3.72Å; I57-W114 HydrophobicContact CG2-CH2 3.64Å; I57-W114 HydrophobicContact CG2-CZ2 3.72Å; I57-W114 HydrophobicContact CG2-CZ3 3.62Å; I57-F208 HydrophobicContact CD1-CD1 3.83Å; I57-F208 HydrophobicContact CD1-CE1 3.88Å; I57-F208 HydrophobicContact CG1-CD1 3.58Å; I57-F208 HydrophobicContact CG1-CE1 3.53Å
58	G	94.3	Very high	94.8	Very high	28 Å²	28	51.8 Å²	51.8	29%	0.289	30%	0.296	S	S	.	.	S	Bend	trans	77.2	-178.1	178.4	0	0	0	0	0	114.4	F208	G58-F208 VanDerWaalsContact CA-CZ 3.42Å
59	N	90.6	Very high	95	Very high	143 Å²	143	49.9 Å²	49.9	77%	0.765	28%	0.284	S	S	*	.	S	Bend	trans	-77.3	-25.8	-168.8	-61.7	-18.1	0	0	0	114
60	H	93.5	Very high	95.1	Very high	163 Å²	163	51.5 Å²	51.5	76%	0.755	30%	0.295	S	S	*	.	S	Bend	trans	-132.8	73.8	-179.4	-56.2	-57.7	0	0	0	110.7	A62	H60-A62 PolarHBondContact O-N 3.35Å
61	P	95.9	Very high	95.2	Very high	45 Å²	45	49.9 Å²	49.9	29%	0.292	29%	0.288	S	S	.	.			trans	-62.4	126.5	-178.6	-23.1	34.9	0	0	0	112.4	E56 T67 R68	E56-P61 HydrophobicContact CB-CB 3.85Å; E56-P61 HydrophobicContact CB-CG 3.87Å; E56-P61 HydrophobicContact CG-CB 3.73Å; E56-P61 HydrophobicContact CG-CG 4.17Å; P61-T67 VanDerWaalsContact CA-OG1 3.28Å; P61-T67 WeakPolarHBondContact CA-OG1 3.44Å; P61-R68 HydrophobicContact CB-CB 3.98Å
62	A	97	Very high	95.1	Very high	36 Å²	36	53.3 Å²	53.3	30%	0.298	31%	0.312	S	S	.	.			trans	-140.5	150.6	177.5	0	0	0	0	0	112.1	H60 A64 N65 T67 R68	H60-A62 PolarHBondContact O-N 3.35Å; A62-A64 VanDerWaalsContact C-N 3.35Å; A62-N65 WeakPolarHBondContact CB-OD1 3.23Å; A62-N65 PolarHBondContact O-OD1 2.88Å; A62-T67 PolarHBondContact N-OG1 3.17Å; A62-T67 PolarHBondContact O-N 3.31Å; A62-T67 VanDerWaalsContact O-N 3.15Å; A62-R68 PolarHBondContact O-N 2.76Å
63	I	95.4	Very high	94.9	Very high	110 Å²	110	51.1 Å²	51.1	56%	0.564	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-40	177.5	-63.2	173.7	0	0	0	109.8	N65 S66 R68	I63-N65 PolarHBondContact O-N 2.98Å; I63-N65 VanDerWaalsContact O-N 3.13Å; I63-S66 PolarHBondContact O-N 3.32Å; I63-R68 WeakPolarHBondContact CA-O 3.21Å; I63-R68 HydrophobicContact CG1-CB 4.4Å; I63-R68 HydrophobicContact CG1-CG 4.34Å
64	A	94.5	Very high	94.4	Very high	107 Å²	107	53.4 Å²	53.4	88%	0.884	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.7	-175.1	0	0	0	0	0	114.4	A62	A62-A64 VanDerWaalsContact C-N 3.35Å
65	N	94	Very high	94	Very high	59 Å²	59	53.6 Å²	53.6	32%	0.316	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	15	179.8	68.2	-2.7	0	0	0	112.3	A62 I63 T67 P209	A62-N65 WeakPolarHBondContact CB-OD1 3.23Å; A62-N65 PolarHBondContact O-OD1 2.88Å; I63-N65 PolarHBondContact O-N 2.98Å; I63-N65 VanDerWaalsContact O-N 3.13Å; N65-T67 PolarHBondContact O-N 3.19Å; N65-T67 VanDerWaalsContact O-N 3.11Å; N65-T67 PolarHBondContact OD1-N 3.31Å; N65-T67 PolarHBondContact OD1-OG1 2.96Å; N65-P209 HydrophobicContact CB-CG 3.72Å; N65-P209 WeakPolarHBondContact O-CG 3.38Å
66	S	95.4	Very high	93.4	Very high	76 Å²	76	58.7 Å²	58.7	53%	0.531	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	13.9	-179.9	-55.2	0	0	0	0	115.7	I63 R68 I110 W114	I63-S66 PolarHBondContact O-N 3.32Å; S66-R68 VanDerWaalsContact C-N 3.29Å; S66-I110 WeakPolarHBondContact O-CD1 3.35Å; S66-W114 WeakPolarHBondContact O-CH2 3.46Å
67	T	97.3	Very high	92.9	Very high	4 Å²	4	62.6 Å²	62.6	3%	0.025	36%	0.361	C	S	.	.	S	Bend	trans	-86.1	-3.5	173.6	63.5	0	0	0	0	113	E56 I57 P61 A62 N65 I110 F208 P209	E56-T67 WeakPolarHBondContact CA-O 3.26Å; I57-T67 HydrophobicContact CG2-CG2 4.15Å; I57-T67 PolarHBondContact N-O 3.18Å; I57-T67 WeakPolarHBondContact O-CB 3.27Å; P61-T67 VanDerWaalsContact CA-OG1 3.28Å; P61-T67 WeakPolarHBondContact CA-OG1 3.44Å; A62-T67 PolarHBondContact N-OG1 3.17Å; A62-T67 PolarHBondContact O-N 3.31Å; A62-T67 VanDerWaalsContact O-N 3.15Å; N65-T67 PolarHBondContact O-N 3.19Å; N65-T67 VanDerWaalsContact O-N 3.11Å; N65-T67 PolarHBondContact OD1-N 3.31Å; N65-T67 PolarHBondContact OD1-OG1 2.96Å; T67-I110 HydrophobicContact CG2-CD1 3.79Å; T67-F208 HydrophobicContact CG2-CB 3.7Å; T67-P209 HydrophobicContact CG2-CG 4.15Å
68	R	97.5	Very high	91.9	Very high	89 Å²	89	65.9 Å²	65.9	34%	0.336	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.9	168.6	-177.2	173.5	-172	-125.9	-3.2	110.3	V54 F55 E56 P61 A62 I63 S66 V70	V54-R68 HydrophobicContact CG1-CG 4.49Å; F55-R68 CarbonylContact O-C 3.57Å; F55-R68 VanDerWaalsContact O-CA 3.27Å; F55-R68 WeakPolarHBondContact O-CA 3.48Å; E56-R68 HydrophobicContact CG-CB 4.21Å; E56-R68 HydrophobicContact CG-CG 3.78Å; E56-R68 WeakPolarHBondContact OE1-CD 3.01Å; E56-R68 IonicContact OE1-CZ 2.65Å; E56-R68 IonicContact OE1-NE 3.84Å; E56-R68 PolarHBondContact OE1-NE 3.28Å; P61-R68 HydrophobicContact CB-CB 3.98Å; A62-R68 PolarHBondContact O-N 2.76Å; I63-R68 WeakPolarHBondContact CA-O 3.21Å; I63-R68 HydrophobicContact CG1-CB 4.4Å; I63-R68 HydrophobicContact CG1-CG 4.34Å; S66-R68 VanDerWaalsContact C-N 3.29Å; R68-V70 HydrophobicContact CG-CG2 4.49Å
69	V	96.1	Very high	91	Very high	23 Å²	23	67.7 Å²	67.7	14%	0.139	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.1	176.9	-178.8	0	0	0	0	109	V54 F55 M71 W87 W114	V54-V69 CarbonylContact C-O 3.59Å; V54-V69 WeakPolarHBondContact CA-O 3.31Å; F55-V69 HydrophobicContact CB-CB 4.33Å; F55-V69 PolarHBondContact N-O 2.71Å; F55-V69 PolarHBondContact O-N 3.16Å; V69-M71 HydrophobicContact CG1-CG 4.26Å; V69-W87 HydrophobicContact CB-CD2 4.44Å; V69-W87 HydrophobicContact CG1-CB 4.12Å; V69-W87 HydrophobicContact CG1-CD2 3.9Å; V69-W87 HydrophobicContact CG1-CE3 4.17Å; V69-W87 HydrophobicContact CG1-CG 3.91Å; V69-W87 HydrophobicContact CG2-CD2 4.3Å; V69-W87 HydrophobicContact CG2-CZ2 3.95Å; V69-W114 HydrophobicContact CG2-CH2 4.38Å; V69-W114 HydrophobicContact CG2-CZ3 4.48Å
70	V	94.7	Very high	90.1	Very high	55 Å²	55	68.6 Å²	68.6	33%	0.333	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	114.7	177.8	-177.7	0	0	0	0	108.1	K52 L53 V54 R68	K52-V70 HydrophobicContact CB-CG1 4.31Å; K52-V70 HydrophobicContact CD-CG1 4.05Å; K52-V70 HydrophobicContact CG-CG1 4.3Å; L53-V70 WeakPolarHBondContact O-CA 3.47Å; V54-V70 HydrophobicContact CG1-CG2 4.29Å; V54-V70 HydrophobicContact CG2-CG1 4.23Å; V54-V70 HydrophobicContact CG2-CG2 4.19Å; R68-V70 HydrophobicContact CG-CG2 4.49Å
71	M	92.6	Very high	88.7	Confident	14 Å²	14	63.2 Å²	63.2	7%	0.069	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.2	175.6	-68.2	-178	-73.5	0	0	109.6	K52 L53 F55 V69 W87 Y88 A89 I103	K52-M71 CarbonylContact C-O 3.45Å; K52-M71 VanDerWaalsContact CA-O 3.26Å; K52-M71 WeakPolarHBondContact CA-O 2.93Å; L53-M71 HydrophobicContact CB-CB 4.43Å; L53-M71 HydrophobicContact CB-CE 4.25Å; L53-M71 HydrophobicContact CD1-CE 4.25Å; L53-M71 PolarHBondContact N-O 2.89Å; L53-M71 PolarHBondContact O-N 2.83Å; F55-M71 HydrophobicContact CD2-CE 3.73Å; F55-M71 HydrophobicContact CE2-CE 3.2Å; F55-M71 HydrophobicContact CZ-CE 4.1Å; V69-M71 HydrophobicContact CG1-CG 4.26Å; M71-W87 HydrophobicContact CE-CE3 4.02Å; M71-W87 HydrophobicContact CG-CB 4.38Å; M71-W87 HydrophobicContact SD-CB 3.79Å; M71-W87 HydrophobicContact SD-CE3 4.44Å; M71-Y88 VanDerWaalsContact SD-C 3.54Å; M71-A89 HydrophobicContact SD-CB 4.2Å; M71-I103 HydrophobicContact CE-CG2 3.89Å
72	S	91	Very high	87.2	Confident	76 Å²	76	65.9 Å²	65.9	53%	0.531	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.1	167.2	-64.6	0	0	0	0	109
73	V	90.6	Very high	86	Confident	9 Å²	9	70.5 Å²	70.5	6%	0.055	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	116.4	-179.3	-178	0	0	0	0	108.6	L51 L53 L75 A89 V91 L101	L51-V73 HydrophobicContact CB-CB 4.3Å; L51-V73 HydrophobicContact CD2-CB 3.95Å; L51-V73 HydrophobicContact CD2-CG1 4.11Å; L51-V73 HydrophobicContact CD2-CG2 4.21Å; L51-V73 HydrophobicContact CG-CB 4.17Å; L51-V73 HydrophobicContact CG-CG2 4.31Å; L51-V73 PolarHBondContact O-N 2.85Å; L53-V73 HydrophobicContact CD1-CG2 4.03Å; L53-V73 HydrophobicContact CG-CG2 3.77Å; V73-L75 PolarHBondContact O-N 3.19Å; V73-A89 HydrophobicContact CG2-CB 4.06Å; V73-V91 HydrophobicContact CG1-CG2 3.79Å; V73-L101 HydrophobicContact CG1-CD1 4.5Å; V73-L101 HydrophobicContact CG1-CD2 3.7Å; V73-L101 HydrophobicContact CG2-CD1 4.46Å
74	P	85.1	Confident	84.7	Confident	47 Å²	47	69.5 Å²	69.5	31%	0.305	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-70.5	116.4	173.7	29.9	-32.1	0	0	0	108.3	Q76 I79 V91	P74-Q76 PolarHBondContact O-N 2.81Å; P74-I79 HydrophobicContact CB-CD1 3.83Å; P74-I79 HydrophobicContact CG-CB 4.33Å; P74-I79 HydrophobicContact CG-CD1 4.23Å; P74-I79 HydrophobicContact CG-CG2 4.13Å; P74-V91 WeakPolarHBondContact O-CG2 3.47Å
75	L	86.9	Confident	84	Confident	13 Å²	13	68.8 Å²	68.8	7%	0.068	38%	0.379	C	S	.	.	S	Bend	trans	-73.8	47.2	-177.1	-65.8	173.5	0	0	0	112.6	A44 A46 D49 L51 V73 L99	A44-L75 HydrophobicContact CB-CD1 4.32Å; A46-L75 HydrophobicContact CB-CB 4.05Å; D49-L75 HydrophobicContact CB-CD1 3.75Å; L51-L75 HydrophobicContact CB-CD1 4.48Å; L51-L75 HydrophobicContact CB-CD2 3.96Å; L51-L75 HydrophobicContact CB-CG 4.35Å; L51-L75 HydrophobicContact CD2-CD2 3.82Å; V73-L75 PolarHBondContact O-N 3.19Å; L75-L99 HydrophobicContact CD2-CD2 3.74Å
76	Q	85.3	Confident	83.7	Confident	106 Å²	106	67.6 Å²	67.6	50%	0.495	38%	0.375	S	S	.	.	S	Bend	trans	-140	134.3	-179	-67.1	179.7	-5.2	0	0	109.5	A46 P74 I79	A46-Q76 HydrophobicContact CB-CG 4.17Å; P74-Q76 PolarHBondContact O-N 2.81Å; Q76-I79 HydrophobicContact CB-CD1 3.87Å
77	E	86.8	Confident	83.6	Confident	109 Å²	109	66.2 Å²	66.2	51%	0.509	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	152.6	173.6	-66	-177	-174.4	0	0	111.3	I79 V91 K93 L94	E77-I79 VanDerWaalsContact C-N 3.33Å; E77-I79 PolarHBondContact O-N 2.85Å; E77-V91 HydrophobicContact CG-CG1 4.04Å; E77-K93 VanDerWaalsContact OE1-CA 3.28Å; E77-K93 WeakPolarHBondContact OE1-CA 3.49Å; E77-L94 HydrophobicContact CG-CB 4.49Å; E77-L94 PolarHBondContact OE1-N 2.78Å
78	G	76.1	Confident	83.3	Confident	71 Å²	71	66.9 Å²	66.9	73%	0.732	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-1.4	171.8	0	0	0	0	0	115.9	E80	G78-E80 PolarHBondContact O-N 2.85Å
79	I	75.4	Confident	83.1	Confident	67 Å²	67	62.9 Å²	62.9	34%	0.344	35%	0.347	S	S	.	.			trans	-81.5	100.7	169.7	-60.4	173.6	0	0	0	108.4	P74 Q76 E77 T90	P74-I79 HydrophobicContact CB-CD1 3.83Å; P74-I79 HydrophobicContact CG-CB 4.33Å; P74-I79 HydrophobicContact CG-CD1 4.23Å; P74-I79 HydrophobicContact CG-CG2 4.13Å; Q76-I79 HydrophobicContact CB-CD1 3.87Å; E77-I79 VanDerWaalsContact C-N 3.33Å; E77-I79 PolarHBondContact O-N 2.85Å; I79-T90 WeakPolarHBondContact O-CG2 3.4Å
80	E	70.5	Confident	82.9	Confident	161 Å²	161	62.4 Å²	62.4	75%	0.752	34%	0.344	S	S	*	.			trans	-84.3	122	171	-67.3	-175.1	171.3	0	0	109.7	G78	G78-E80 PolarHBondContact O-N 2.85Å
81	S	64.1	Low	82.8	Confident	50 Å²	50	60.1 Å²	60.1	35%	0.35	33%	0.33	S	S	.	.			trans	-120.7	78.9	165.8	67.9	0	0	0	0	107.6	E83 Y88	S81-E83 PolarHBondContact O-N 2.7Å; S81-Y88 WeakPolarHBondContact O-CB 3.39Å; S81-Y88 WeakPolarHBondContact O-CD1 3.5Å; S81-Y88 WeakPolarHBondContact O-CD2 3.39Å
82	E	65.6	Low	82.9	Confident	101 Å²	101	64.3 Å²	64.3	47%	0.472	35%	0.348	S	S	.	.			trans	-99.6	64.7	178.7	-62.5	-157.5	158.2	0	0	110.4	V84 K102	E82-V84 PolarHBondContact O-N 2.68Å; E82-V84 VanDerWaalsContact O-N 3.15Å; E82-K102 IonicContact OE1-NZ 3.17Å; E82-K102 PolarHBondContact OE1-NZ 3.24Å
83	E	71.7	Confident	83	Confident	133 Å²	133	66.2 Å²	66.2	62%	0.621	35%	0.346	S	S	*	.			trans	-75.2	99.3	163	-76.2	-175.7	-170.8	0	0	108.3	S81 Q85 S86	S81-E83 PolarHBondContact O-N 2.7Å; E83-Q85 PolarHBondContact O-N 2.66Å; E83-S86 WeakPolarHBondContact CB-OG 3.35Å; E83-S86 PolarHBondContact O-N 3.31Å; E83-S86 WeakPolarHBondContact OE2-CB 3.37Å; E83-S86 PolarHBondContact OE2-OG 3.17Å
84	V	68.2	Low	83	Confident	90 Å²	90	68 Å²	68	55%	0.545	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-29.3	-174.3	-179.8	0	0	0	0	113.3	E82 D150	E82-V84 PolarHBondContact O-N 2.68Å; E82-V84 VanDerWaalsContact O-N 3.15Å; V84-D150 WeakPolarHBondContact CG1-OD2 3.43Å
85	Q	79.5	Confident	83.3	Confident	92 Å²	92	69.4 Å²	69.4	43%	0.43	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-6.8	-174.2	-64.2	-62.8	-31.2	0	0	114.5	E83 S106 D150	E83-Q85 PolarHBondContact O-N 2.66Å; Q85-S106 WeakPolarHBondContact O-CB 3.5Å; Q85-S106 PolarHBondContact O-OG 2.87Å; Q85-D150 PolarHBondContact NE2-OD1 2.97Å
86	S	87.5	Confident	83.3	Confident	34 Å²	34	70.5 Å²	70.5	24%	0.238	38%	0.378	C	S	.	.	S	Bend	trans	-121	171.5	-172.8	78.2	0	0	0	0	112.6	E83	E83-S86 WeakPolarHBondContact CB-OG 3.35Å; E83-S86 PolarHBondContact O-N 3.31Å; E83-S86 WeakPolarHBondContact OE2-CB 3.37Å; E83-S86 PolarHBondContact OE2-OG 3.17Å
87	W	93.3	Very high	83.7	Confident	46 Å²	46	68 Å²	68	17%	0.174	37%	0.37	C	S	.	.			trans	-78.2	133.1	175.1	-70	73.5	0	0	0	109.4	F55 V69 M71 C104 V105 C109 W114 I142	F55-W87 HydrophobicContact CB-CH2 4.31Å; F55-W87 HydrophobicContact CB-CZ3 4.23Å; F55-W87 HydrophobicContact CD1-CH2 4.23Å; F55-W87 AromaticContact CD1-CZ3 3.82Å; F55-W87 HydrophobicContact CD1-CZ3 3.82Å; F55-W87 HydrophobicContact CD2-CE3 4.49Å; F55-W87 AromaticContact CD2-CZ3 3.98Å; F55-W87 HydrophobicContact CD2-CZ3 3.98Å; F55-W87 HydrophobicContact CE1-CZ3 4.09Å; F55-W87 HydrophobicContact CE2-CZ3 4.27Å; F55-W87 HydrophobicContact CG-CH2 4.23Å; F55-W87 AromaticContact CG-CZ3 3.74Å; F55-W87 HydrophobicContact CG-CZ3 3.74Å; F55-W87 HydrophobicContact CZ-CZ3 4.3Å; V69-W87 HydrophobicContact CB-CD2 4.44Å; V69-W87 HydrophobicContact CG1-CB 4.12Å; V69-W87 HydrophobicContact CG1-CD2 3.9Å; V69-W87 HydrophobicContact CG1-CE3 4.17Å; V69-W87 HydrophobicContact CG1-CG 3.91Å; V69-W87 HydrophobicContact CG2-CD2 4.3Å; V69-W87 HydrophobicContact CG2-CZ2 3.95Å; M71-W87 HydrophobicContact CE-CE3 4.02Å; M71-W87 HydrophobicContact CG-CB 4.38Å; M71-W87 HydrophobicContact SD-CB 3.79Å; M71-W87 HydrophobicContact SD-CE3 4.44Å; W87-C104 WeakPolarHBondContact CA-O 3.39Å; W87-V105 HydrophobicContact CD2-CB 3.92Å; W87-V105 HydrophobicContact CD2-CG1 4.28Å; W87-V105 HydrophobicContact CE3-CB 3.67Å; W87-V105 HydrophobicContact CE3-CG1 3.51Å; W87-V105 HydrophobicContact CH2-CB 3.83Å; W87-V105 HydrophobicContact CH2-CG1 3.72Å; W87-V105 HydrophobicContact CZ2-CB 4.08Å; W87-V105 HydrophobicContact CZ2-CG1 4.47Å; W87-V105 HydrophobicContact CZ3-CB 3.62Å; W87-V105 HydrophobicContact CZ3-CG1 3.17Å; W87-C109 HydrophobicContact CZ2-CB 4.05Å; W87-C109 WeakPolarHBondContact CZ2-SG 3.44Å; W87-W114 HydrophobicContact CH2-CH2 4.2Å; W87-W114 HydrophobicContact CH2-CZ2 4.23Å; W87-W114 HydrophobicContact CH2-CZ3 4.42Å; W87-W114 AromaticContact CZ2-CH2 3.98Å; W87-W114 HydrophobicContact CZ2-CH2 3.98Å; W87-W114 HydrophobicContact CZ2-CZ2 4.05Å; W87-I142 HydrophobicContact CH2-CD1 4.04Å
88	Y	92.1	Very high	84.1	Confident	18 Å²	18	67.2 Å²	67.2	7%	0.071	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	157.3	175.6	68.7	-103.9	0	0	0	112.6	P33 M71 S81 T90 I103 C104	P33-Y88 WeakPolarHBondContact CG-OH 3.4Å; M71-Y88 VanDerWaalsContact SD-C 3.54Å; S81-Y88 WeakPolarHBondContact O-CB 3.39Å; S81-Y88 WeakPolarHBondContact O-CD1 3.5Å; S81-Y88 WeakPolarHBondContact O-CD2 3.39Å; Y88-T90 HydrophobicContact CD2-CG2 4.16Å; Y88-I103 WeakPolarHBondContact O-CA 3.43Å; Y88-C104 HydrophobicContact CD1-CB 3.68Å; Y88-C104 HydrophobicContact CD2-CB 4.1Å; Y88-C104 HydrophobicContact CE1-CB 3.2Å; Y88-C104 HydrophobicContact CE2-CB 3.64Å; Y88-C104 HydrophobicContact CG-CB 4.12Å; Y88-C104 PolarHBondContact N-O 2.85Å; Y88-C104 PolarHBondContact O-N 2.86Å; Y88-C104 WeakPolarHBondContact OH-CB 3.45Å
89	A	92.2	Very high	84.9	Confident	6 Å²	6	63.8 Å²	63.8	5%	0.05	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	121.7	172.4	0	0	0	0	0	109.4	L53 M71 V73 K102 I103	L53-A89 HydrophobicContact CD1-CB 3.88Å; M71-A89 HydrophobicContact SD-CB 4.2Å; V73-A89 HydrophobicContact CG2-CB 4.06Å; A89-K102 CarbonylContact C-O 3.54Å; A89-K102 WeakPolarHBondContact CA-O 3.12Å; A89-I103 HydrophobicContact CB-CG1 4.1Å
90	T	91.8	Very high	85.8	Confident	12 Å²	12	62.2 Å²	62.2	7%	0.074	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.6	179.1	60.7	0	0	0	0	110.9	I79 Y88 K92 L101 K102	I79-T90 WeakPolarHBondContact O-CG2 3.4Å; Y88-T90 HydrophobicContact CD2-CG2 4.16Å; T90-K92 PolarHBondContact O-N 3.49Å; T90-L101 WeakPolarHBondContact O-CA 3.45Å; T90-K102 PolarHBondContact N-O 3.02Å; T90-K102 PolarHBondContact O-N 3.09Å
91	V	93.7	Very high	87	Confident	7 Å²	7	54.6 Å²	54.6	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	110.6	175.9	177.9	0	0	0	0	108.8	V73 P74 E77 L94 L99 L101	V73-V91 HydrophobicContact CG1-CG2 3.79Å; P74-V91 WeakPolarHBondContact O-CG2 3.47Å; E77-V91 HydrophobicContact CG-CG1 4.04Å; V91-L94 HydrophobicContact CG1-CB 4.3Å; V91-L99 HydrophobicContact CB-CD1 4.25Å; V91-L99 HydrophobicContact CG1-CD1 3.44Å; V91-L99 VanDerWaalsContact CG1-CD1 3.44Å; V91-L99 HydrophobicContact CG2-CD1 3.85Å; V91-L101 HydrophobicContact CB-CD2 4.47Å; V91-L101 HydrophobicContact CG2-CD2 3.8Å
92	K	92.9	Very high	88.4	Confident	102 Å²	102	54.5 Å²	54.5	44%	0.443	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-36.1	174.2	-62.4	-160.5	86.5	-176.6	0	112.1	E35 T90 L100 K102	E35-K92 HydrophobicContact CG-CD 4.27Å; E35-K92 VanDerWaalsContact OE1-CD 3.28Å; E35-K92 WeakPolarHBondContact OE1-CD 3.48Å; E35-K92 IonicContact OE1-NZ 2.72Å; E35-K92 PolarHBondContact OE1-NZ 3.13Å; T90-K92 PolarHBondContact O-N 3.49Å; K92-L100 HydrophobicContact CB-CB 4.45Å; K92-L100 HydrophobicContact CB-CD2 3.95Å; K92-L100 HydrophobicContact CB-CG 4Å; K92-L100 HydrophobicContact CD-CD2 4.3Å; K92-L100 HydrophobicContact CD-CG 4.45Å; K92-L100 PolarHBondContact N-O 2.84Å; K92-K102 HydrophobicContact CD-CB 3.91Å; K92-K102 HydrophobicContact CG-CB 3.69Å
93	K	93.8	Very high	89.8	Confident	116 Å²	116	49.7 Å²	49.7	50%	0.504	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	135.4	-176.7	-167.2	171.6	-179.8	176	0	110.9	E77 T95 L100	E77-K93 VanDerWaalsContact OE1-CA 3.28Å; E77-K93 WeakPolarHBondContact OE1-CA 3.49Å; K93-T95 WeakPolarHBondContact CE-OG1 3.43Å; K93-L100 HydrophobicContact CB-CB 4.05Å; K93-L100 HydrophobicContact CB-CD2 4.33Å; K93-L100 PolarHBondContact N-O 2.9Å; K93-L100 PolarHBondContact O-N 3.06Å
94	L	91.4	Very high	90.9	Very high	46 Å²	46	43.6 Å²	43.6	24%	0.241	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.3	170.5	175.7	58.4	0	0	0	108.1	A44 E77 V91 Q98 L99	A44-L94 HydrophobicContact CB-CD1 4.14Å; E77-L94 HydrophobicContact CG-CB 4.49Å; E77-L94 PolarHBondContact OE1-N 2.78Å; V91-L94 HydrophobicContact CG1-CB 4.3Å; L94-Q98 WeakPolarHBondContact CA-O 3.49Å; L94-L99 HydrophobicContact CB-CD1 4.16Å; L94-L99 HydrophobicContact CD1-CB 4.34Å; L94-L99 HydrophobicContact CD1-CD1 4.01Å
95	T	89.9	Confident	92.2	Very high	77 Å²	77	39.3 Å²	39.3	47%	0.472	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	104.5	-178.6	-57.3	0	0	0	0	109.7	K93 T97 Q98	K93-T95 WeakPolarHBondContact CE-OG1 3.43Å; T95-T97 PolarHBondContact O-N 3.05Å; T95-Q98 PolarHBondContact N-O 3.49Å; T95-Q98 PolarHBondContact O-N 2.81Å
96	G	88.4	Confident	93	Very high	37 Å²	37	35.5 Å²	35.5	38%	0.381	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-118.5	-173.1	0	0	0	0	0	110.9	D43 Q98	D43-G96 VanDerWaalsContact OD1-CA 3.25Å; D43-G96 WeakPolarHBondContact OD1-CA 3.34Å; G96-Q98 VanDerWaalsContact C-N 3.32Å; G96-Q98 PolarHBondContact O-N 3.01Å
97	T	92.7	Very high	93.4	Very high	52 Å²	52	34 Å²	34	32%	0.319	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	2	-179.1	65.3	0	0	0	0	114.6	S39 F40 D43 T95	S39-T97 WeakPolarHBondContact CA-O 3.38Å; F40-T97 WeakPolarHBondContact CD2-O 3.42Å; F40-T97 PolarHBondContact N-O 3.44Å; F40-T97 WeakPolarHBondContact O-CB 3.44Å; D43-T97 WeakPolarHBondContact OD1-CG2 3.28Å; D43-T97 PolarHBondContact OD1-N 2.91Å; T95-T97 PolarHBondContact O-N 3.05Å
98	Q	94.5	Very high	93.5	Very high	93 Å²	93	35.6 Å²	35.6	44%	0.435	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.6	-175.5	-67.5	-167	-21.3	0	0	112.3	L37 L38 L94 T95 G96	L37-Q98 HydrophobicContact CD1-CB 4.18Å; L38-Q98 WeakPolarHBondContact O-CA 3.43Å; L94-Q98 WeakPolarHBondContact CA-O 3.49Å; T95-Q98 PolarHBondContact N-O 3.49Å; T95-Q98 PolarHBondContact O-N 2.81Å; G96-Q98 VanDerWaalsContact C-N 3.32Å; G96-Q98 PolarHBondContact O-N 3.01Å
99	L	93.8	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	113	179.1	179.7	70.2	0	0	0	110.6	L38 F40 L51 L75 V91 L94 L101	L38-L99 HydrophobicContact CB-CB 4.42Å; L38-L99 HydrophobicContact CD1-CD2 4.49Å; L38-L99 PolarHBondContact N-O 3.06Å; L38-L99 PolarHBondContact O-N 3.08Å; F40-L99 HydrophobicContact CE2-CB 3.63Å; F40-L99 HydrophobicContact CE2-CD2 3.88Å; F40-L99 HydrophobicContact CE2-CG 4.42Å; F40-L99 HydrophobicContact CZ-CB 4.38Å; F40-L99 HydrophobicContact CZ-CD2 4Å; L51-L99 HydrophobicContact CD2-CD2 3.34Å; L75-L99 HydrophobicContact CD2-CD2 3.74Å; V91-L99 HydrophobicContact CB-CD1 4.25Å; V91-L99 HydrophobicContact CG1-CD1 3.44Å; V91-L99 VanDerWaalsContact CG1-CD1 3.44Å; V91-L99 HydrophobicContact CG2-CD1 3.85Å; L94-L99 HydrophobicContact CB-CD1 4.16Å; L94-L99 HydrophobicContact CD1-CB 4.34Å; L94-L99 HydrophobicContact CD1-CD1 4.01Å; L99-L101 HydrophobicContact CD1-CD2 4.1Å; L99-L101 HydrophobicContact CD2-CD1 4.34Å; L99-L101 HydrophobicContact CD2-CD2 3.8Å; L99-L101 HydrophobicContact CD2-CG 4.2Å; L99-L101 HydrophobicContact CG-CD2 3.7Å; L99-L101 HydrophobicContact CG-CG 4.07Å
100	L	95.2	Very high	94.1	Very high	34 Å²	34	34.9 Å²	34.9	18%	0.178	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117.9	174.2	-179.3	65	0	0	0	109.6	F2 E35 L37 K92 K93	F2-L100 HydrophobicContact CD2-CD1 4.44Å; F2-L100 HydrophobicContact CE2-CD1 3.46Å; F2-L100 VanDerWaalsContact CE2-CD1 3.46Å; F2-L100 HydrophobicContact CZ-CD1 4.02Å; E35-L100 HydrophobicContact CB-CD1 4.39Å; L37-L100 HydrophobicContact CD1-CB 4.24Å; K92-L100 HydrophobicContact CB-CB 4.45Å; K92-L100 HydrophobicContact CB-CD2 3.95Å; K92-L100 HydrophobicContact CB-CG 4Å; K92-L100 HydrophobicContact CD-CD2 4.3Å; K92-L100 HydrophobicContact CD-CG 4.45Å; K92-L100 PolarHBondContact N-O 2.84Å; K93-L100 HydrophobicContact CB-CB 4.05Å; K93-L100 HydrophobicContact CB-CD2 4.33Å; K93-L100 PolarHBondContact N-O 2.9Å; K93-L100 PolarHBondContact O-N 3.06Å
101	L	94.6	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.2	179.8	-59.6	-179.4	0	0	0	111	E35 I36 L38 L51 L53 V73 T90 V91 L99 I103	E35-L101 CarbonylContact C-O 3.59Å; E35-L101 VanDerWaalsContact CA-O 3.25Å; E35-L101 WeakPolarHBondContact CA-O 3.26Å; I36-L101 HydrophobicContact CD1-CD1 4.3Å; I36-L101 HydrophobicContact CG1-CB 3.94Å; I36-L101 HydrophobicContact CG1-CD1 4.31Å; I36-L101 PolarHBondContact N-O 2.82Å; I36-L101 PolarHBondContact O-N 2.93Å; L38-L101 HydrophobicContact CD1-CD1 3.75Å; L38-L101 HydrophobicContact CG-CD1 4.35Å; L51-L101 HydrophobicContact CD2-CD1 4.49Å; L53-L101 HydrophobicContact CD1-CD1 4.14Å; L53-L101 HydrophobicContact CD2-CD1 4.28Å; V73-L101 HydrophobicContact CG1-CD1 4.5Å; V73-L101 HydrophobicContact CG1-CD2 3.7Å; V73-L101 HydrophobicContact CG2-CD1 4.46Å; T90-L101 WeakPolarHBondContact O-CA 3.45Å; V91-L101 HydrophobicContact CB-CD2 4.47Å; V91-L101 HydrophobicContact CG2-CD2 3.8Å; L99-L101 HydrophobicContact CD1-CD2 4.1Å; L99-L101 HydrophobicContact CD2-CD1 4.34Å; L99-L101 HydrophobicContact CD2-CD2 3.8Å; L99-L101 HydrophobicContact CD2-CG 4.2Å; L99-L101 HydrophobicContact CG-CD2 3.7Å; L99-L101 HydrophobicContact CG-CG 4.07Å; L101-I103 HydrophobicContact CB-CD1 4.5Å; L101-I103 HydrophobicContact CB-CG1 4.24Å
102	K	94.2	Very high	94.6	Very high	48 Å²	48	34 Å²	34	21%	0.209	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.4	161.3	179.4	-174.9	175.2	-168.6	0	107.1	P33 E82 A89 T90 K92	P33-K102 HydrophobicContact CB-CD 4.3Å; P33-K102 VanDerWaalsContact CB-CE 3.5Å; P33-K102 HydrophobicContact CB-CG 3.88Å; E82-K102 IonicContact OE1-NZ 3.17Å; E82-K102 PolarHBondContact OE1-NZ 3.24Å; A89-K102 CarbonylContact C-O 3.54Å; A89-K102 WeakPolarHBondContact CA-O 3.12Å; T90-K102 PolarHBondContact N-O 3.02Å; T90-K102 PolarHBondContact O-N 3.09Å; K92-K102 HydrophobicContact CD-CB 3.91Å; K92-K102 HydrophobicContact CG-CB 3.69Å
103	I	94.5	Very high	94.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.6	-179	-57.6	165.8	0	0	0	107.8	P33 F34 I36 L53 F55 M71 Y88 A89 L101	P33-I103 CarbonylContact C-O 3.44Å; P33-I103 WeakPolarHBondContact CA-O 3.43Å; F34-I103 HydrophobicContact CD1-CB 4.27Å; F34-I103 VanDerWaalsContact CD1-O 3.26Å; F34-I103 WeakPolarHBondContact CD1-O 3.04Å; F34-I103 HydrophobicContact CE1-CB 3.73Å; F34-I103 HydrophobicContact CE1-CG2 3.63Å; F34-I103 HydrophobicContact CE2-CB 4.15Å; F34-I103 HydrophobicContact CE2-CD1 3.99Å; F34-I103 HydrophobicContact CZ-CB 3.68Å; F34-I103 HydrophobicContact CZ-CD1 4.01Å; F34-I103 HydrophobicContact CZ-CG1 4.47Å; F34-I103 HydrophobicContact CZ-CG2 3.64Å; F34-I103 PolarHBondContact N-O 3.36Å; F34-I103 PolarHBondContact O-N 3.43Å; I36-I103 HydrophobicContact CD1-CD1 3.46Å; I36-I103 VanDerWaalsContact CD1-CD1 3.46Å; I36-I103 HydrophobicContact CG1-CD1 3.66Å; I36-I103 HydrophobicContact CG2-CD1 4.41Å; L53-I103 HydrophobicContact CD1-CD1 3.5Å; L53-I103 VanDerWaalsContact CD1-CD1 3.5Å; L53-I103 HydrophobicContact CD1-CG1 3.91Å; F55-I103 HydrophobicContact CZ-CG2 4.27Å; M71-I103 HydrophobicContact CE-CG2 3.89Å; Y88-I103 WeakPolarHBondContact O-CA 3.43Å; A89-I103 HydrophobicContact CB-CG1 4.1Å; L101-I103 HydrophobicContact CB-CD1 4.5Å; L101-I103 HydrophobicContact CB-CG1 4.24Å
104	C	94.7	Very high	95	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.034	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.1	168.8	-166.1	0	0	0	0	109.3	P33 W87 Y88	P33-C104 HydrophobicContact CB-CB 4.22Å; P33-C104 HydrophobicContact CG-CB 4.13Å; W87-C104 WeakPolarHBondContact CA-O 3.39Å; Y88-C104 HydrophobicContact CD1-CB 3.68Å; Y88-C104 HydrophobicContact CD2-CB 4.1Å; Y88-C104 HydrophobicContact CE1-CB 3.2Å; Y88-C104 HydrophobicContact CE2-CB 3.64Å; Y88-C104 HydrophobicContact CG-CB 4.12Å; Y88-C104 PolarHBondContact N-O 2.85Å; Y88-C104 PolarHBondContact O-N 2.86Å; Y88-C104 WeakPolarHBondContact OH-CB 3.45Å
105	V	95.5	Very high	95.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.149	C	C	.	.			trans	-97	145.5	173.2	-47.4	0	0	0	0	108.5	I28 R30 G31 F34 W87 C109 I142	I28-V105 HydrophobicContact CD1-CG1 4.45Å; R30-V105 HydrophobicContact CB-CG2 3.93Å; G31-V105 WeakPolarHBondContact CA-O 3.48Å; G31-V105 PolarHBondContact N-O 3.1Å; F34-V105 HydrophobicContact CE1-CG1 4Å; W87-V105 HydrophobicContact CD2-CB 3.92Å; W87-V105 HydrophobicContact CD2-CG1 4.28Å; W87-V105 HydrophobicContact CE3-CB 3.67Å; W87-V105 HydrophobicContact CE3-CG1 3.51Å; W87-V105 HydrophobicContact CH2-CB 3.83Å; W87-V105 HydrophobicContact CH2-CG1 3.72Å; W87-V105 HydrophobicContact CZ2-CB 4.08Å; W87-V105 HydrophobicContact CZ2-CG1 4.47Å; W87-V105 HydrophobicContact CZ3-CB 3.62Å; W87-V105 HydrophobicContact CZ3-CG1 3.17Å; V105-C109 HydrophobicContact CB-CB 4.34Å; V105-C109 HydrophobicContact CG2-CB 4.07Å; V105-I142 HydrophobicContact CG1-CD1 4.09Å; V105-I142 HydrophobicContact CG2-CD1 4.46Å; V105-I142 HydrophobicContact CG2-CG2 4.01Å
106	S	96	Very high	95.5	Very high	13 Å²	13	22 Å²	22	9%	0.091	13%	0.126	C	C	.	.			trans	-52.6	144.4	-179.6	174.8	0	0	0	0	112	Q85 N108 C109	Q85-S106 WeakPolarHBondContact O-CB 3.5Å; Q85-S106 PolarHBondContact O-OG 2.87Å; S106-N108 PolarHBondContact O-N 2.85Å; S106-N108 VanDerWaalsContact O-N 3.1Å; S106-N108 PolarHBondContact OG-N 3.07Å; S106-C109 WeakPolarHBondContact O-CB 3.48Å; S106-C109 PolarHBondContact O-N 2.85Å
107	P	96.7	Very high	95.8	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.1	171.1	26.2	-35.1	0	0	0	113.2	R30 D150	R30-P107 WeakPolarHBondContact CD-O 3.4Å; R30-P107 WeakPolarHBondContact CG-O 3.25Å; R30-P107 PolarHBondContact NE-O 3.34Å; R30-P107 PolarHBondContact NH1-O 3.13Å; R30-P107 PolarHBondContact NH2-O 2.65Å; P107-D150 HydrophobicContact CB-CB 3.97Å; P107-D150 HydrophobicContact CG-CB 3.87Å
108	N	95.8	Very high	95.9	Very high	80 Å²	80	20.8 Å²	20.8	43%	0.428	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	15	173.3	-64.5	-58.1	0	0	0	113.2	S106 S212	S106-N108 PolarHBondContact O-N 2.85Å; S106-N108 VanDerWaalsContact O-N 3.1Å; S106-N108 PolarHBondContact OG-N 3.07Å; N108-S212 WeakPolarHBondContact O-CB 3.2Å
109	C	97.5	Very high	95.8	Very high	4 Å²	4	16.9 Å²	16.9	3%	0.027	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-57.8	141.7	177.5	178.5	0	0	0	0	111.7	R30 W87 V105 S106 V111 I142	R30-C109 HydrophobicContact CB-CB 3.93Å; R30-C109 WeakPolarHBondContact CD-O 3.41Å; R30-C109 PolarHBondContact NH1-O 2.87Å; W87-C109 HydrophobicContact CZ2-CB 4.05Å; W87-C109 WeakPolarHBondContact CZ2-SG 3.44Å; V105-C109 HydrophobicContact CB-CB 4.34Å; V105-C109 HydrophobicContact CG2-CB 4.07Å; S106-C109 WeakPolarHBondContact O-CB 3.48Å; S106-C109 PolarHBondContact O-N 2.85Å; C109-V111 PolarHBondContact O-N 3.45Å; C109-I142 HydrophobicContact CB-CG2 4.42Å
110	I	98.2	Very high	95.7	Very high	5 Å²	5	19 Å²	19	3%	0.026	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-61.1	128	173	-64.4	168.2	0	0	0	109.3	I57 S66 T67 W114 F208 R211	I57-I110 HydrophobicContact CD1-CG2 4.05Å; I57-I110 HydrophobicContact CG2-CD1 4.49Å; I57-I110 HydrophobicContact CG2-CG2 4.45Å; S66-I110 WeakPolarHBondContact O-CD1 3.35Å; T67-I110 HydrophobicContact CG2-CD1 3.79Å; I110-W114 HydrophobicContact CB-CZ2 3.76Å; I110-W114 PolarHBondContact O-NE1 3.16Å; I110-F208 VanDerWaalsContact CG2-O 3.22Å; I110-F208 WeakPolarHBondContact CG2-O 3.28Å; I110-R211 HydrophobicContact CG2-CB 4.01Å
111	V	98.5	Very high	95.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-79.8	134.3	177	168.2	0	0	0	0	111.1	C109 I142 F144 R211 I287	C109-V111 PolarHBondContact O-N 3.45Å; V111-I142 VanDerWaalsContact CA-O 3.3Å; V111-I142 WeakPolarHBondContact CA-O 3.48Å; V111-I142 WeakPolarHBondContact CG1-O 3.3Å; V111-F144 HydrophobicContact CB-CD2 4.28Å; V111-F144 HydrophobicContact CB-CE2 3.97Å; V111-F144 HydrophobicContact CB-CZ 4.34Å; V111-F144 HydrophobicContact CG1-CD2 4.2Å; V111-F144 HydrophobicContact CG1-CE2 4.15Å; V111-F144 HydrophobicContact CG2-CD1 4.05Å; V111-F144 HydrophobicContact CG2-CD2 3.63Å; V111-F144 HydrophobicContact CG2-CE1 4.04Å; V111-F144 HydrophobicContact CG2-CE2 3.63Å; V111-F144 HydrophobicContact CG2-CG 3.82Å; V111-F144 HydrophobicContact CG2-CZ 3.82Å; V111-R211 PolarHBondContact N-O 3.37Å; V111-I287 HydrophobicContact CG1-CB 4.26Å
112	G	98.1	Very high	95.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152	-166.4	179.3	0	0	0	0	0	114.1	I142	G112-I142 PolarHBondContact N-O 2.87Å; G112-I142 PolarHBondContact O-N 2.99Å
113	C	97.5	Very high	95.2	Very high	31 Å²	31	23 Å²	23	21%	0.209	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.5	175.2	-173.1	0	0	0	0	110	I57 Y141 I198	I57-C113 WeakPolarHBondContact CG1-O 3.32Å; C113-Y141 HydrophobicContact CB-CD1 3.96Å; C113-Y141 HydrophobicContact CB-CE1 3.73Å; C113-I198 HydrophobicContact CB-CG2 4.41Å
114	W	97.6	Very high	94.9	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.2	178.4	-71.1	78.4	0	0	0	110.7	F55 E56 I57 S66 V69 W87 I110 D139 I140 I142	F55-W114 HydrophobicContact CB-CE3 3.73Å; F55-W114 HydrophobicContact CB-CZ3 3.96Å; E56-W114 CarbonylContact O-C 3.49Å; E56-W114 WeakPolarHBondContact O-CA 3.48Å; I57-W114 HydrophobicContact CB-CD2 3.63Å; I57-W114 HydrophobicContact CB-CE3 3.71Å; I57-W114 HydrophobicContact CB-CG 4.09Å; I57-W114 HydrophobicContact CB-CZ2 4.44Å; I57-W114 HydrophobicContact CB-CZ3 4.15Å; I57-W114 HydrophobicContact CD1-CD2 4.26Å; I57-W114 HydrophobicContact CD1-CG 4.19Å; I57-W114 HydrophobicContact CG1-CD2 4.49Å; I57-W114 HydrophobicContact CG2-CD2 3.81Å; I57-W114 HydrophobicContact CG2-CE3 3.72Å; I57-W114 HydrophobicContact CG2-CH2 3.64Å; I57-W114 HydrophobicContact CG2-CZ2 3.72Å; I57-W114 HydrophobicContact CG2-CZ3 3.62Å; S66-W114 WeakPolarHBondContact O-CH2 3.46Å; V69-W114 HydrophobicContact CG2-CH2 4.38Å; V69-W114 HydrophobicContact CG2-CZ3 4.48Å; W87-W114 HydrophobicContact CH2-CH2 4.2Å; W87-W114 HydrophobicContact CH2-CZ2 4.23Å; W87-W114 HydrophobicContact CH2-CZ3 4.42Å; W87-W114 AromaticContact CZ2-CH2 3.98Å; W87-W114 HydrophobicContact CZ2-CH2 3.98Å; W87-W114 HydrophobicContact CZ2-CZ2 4.05Å; I110-W114 HydrophobicContact CB-CZ2 3.76Å; I110-W114 PolarHBondContact O-NE1 3.16Å; W114-D139 CarbonylContact O-C 3.56Å; W114-D139 WeakPolarHBondContact O-CA 3.44Å; W114-I140 PolarHBondContact N-O 3.26Å; W114-I140 PolarHBondContact O-N 3.07Å; W114-I142 HydrophobicContact CB-CD1 4.43Å; W114-I142 HydrophobicContact CD2-CD1 4.34Å; W114-I142 HydrophobicContact CG-CD1 3.88Å; W114-I142 HydrophobicContact CG-CG1 4.34Å
115	N	95.5	Very high	94.5	Very high	57 Å²	57	32.8 Å²	32.8	31%	0.305	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.9	167.3	-51.4	133	0	0	0	109.4	F55 E56 L136 D139	F55-N115 WeakPolarHBondContact CA-O 3.31Å; E56-N115 PolarHBondContact N-O 2.98Å; E56-N115 PolarHBondContact O-N 3.48Å; N115-L136 HydrophobicContact CB-CD1 3.93Å; N115-D139 PolarHBondContact ND2-OD1 2.86Å
116	L	95.6	Very high	93.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.4	169.8	169.7	60.6	0	0	0	110.6	I36 L53 F55 I137 S138 I140	I36-L116 HydrophobicContact CD1-CD2 4.17Å; L53-L116 HydrophobicContact CB-CD1 4.23Å; L53-L116 HydrophobicContact CD2-CD1 4.49Å; F55-L116 HydrophobicContact CD1-CB 4.5Å; F55-L116 HydrophobicContact CD1-CD1 4.41Å; F55-L116 HydrophobicContact CD2-CD1 4.05Å; F55-L116 HydrophobicContact CE1-CB 4.27Å; F55-L116 HydrophobicContact CE1-CD1 4.02Å; F55-L116 HydrophobicContact CE2-CD1 3.59Å; F55-L116 HydrophobicContact CG-CD1 4.44Å; F55-L116 HydrophobicContact CZ-CD1 3.6Å; F55-L116 HydrophobicContact CZ-CD2 4.36Å; F55-L116 HydrophobicContact CZ-CG 4.41Å; L116-I137 HydrophobicContact CD2-CB 4.37Å; L116-I137 HydrophobicContact CD2-CG2 4.45Å; L116-I137 HydrophobicContact CG-CB 4.25Å; L116-I137 HydrophobicContact CG-CG1 4.38Å; L116-I137 PolarHBondContact O-N 2.99Å; L116-S138 PolarHBondContact N-O 2.94Å; L116-I140 HydrophobicContact CB-CD1 3.6Å; L116-I140 HydrophobicContact CB-CG1 4.3Å; L116-I140 HydrophobicContact CD2-CD1 3.65Å; L116-I140 HydrophobicContact CG-CD1 4.25Å
117	K	95.2	Very high	92.6	Very high	55 Å²	55	42.5 Å²	42.5	24%	0.239	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.4	172.8	-60.1	170.6	-176.7	172.8	0	110.2	V54 E56 T134 S135 L136	V54-K117 HydrophobicContact CB-CB 4.22Å; V54-K117 PolarHBondContact N-O 2.82Å; V54-K117 PolarHBondContact O-N 2.91Å; E56-K117 IonicContact OE2-NZ 2.71Å; E56-K117 PolarHBondContact OE2-NZ 3.44Å; K117-T134 HydrophobicContact CB-CG2 4.25Å; K117-T134 HydrophobicContact CD-CG2 4.31Å; K117-S135 WeakPolarHBondContact CA-O 3.35Å; K117-L136 HydrophobicContact CG-CD1 4.05Å
118	V	94	Very high	91.7	Very high	10 Å²	10	45.2 Å²	45.2	6%	0.061	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.4	168.6	172.6	0	0	0	0	107.9	L38 L51 L53 T120 T134 S135 I137	L38-V118 HydrophobicContact CD1-CG1 4.28Å; L38-V118 HydrophobicContact CD1-CG2 4.07Å; L38-V118 HydrophobicContact CD2-CG2 3.92Å; L51-V118 HydrophobicContact CD1-CG1 3.52Å; L53-V118 HydrophobicContact CD2-CG2 3.81Å; V118-T120 HydrophobicContact CG1-CG2 4.34Å; V118-T134 WeakPolarHBondContact O-CA 3.49Å; V118-S135 PolarHBondContact N-O 2.71Å; V118-S135 PolarHBondContact O-N 3.26Å; V118-I137 HydrophobicContact CB-CD1 4.18Å; V118-I137 HydrophobicContact CB-CG1 4.18Å; V118-I137 HydrophobicContact CG2-CD1 3.78Å; V118-I137 HydrophobicContact CG2-CG1 3.51Å
119	V	93.9	Very high	90.7	Very high	10 Å²	10	48.9 Å²	48.9	6%	0.061	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.7	179.9	177	0	0	0	0	108.4	K52 V54 K132 S133 T134	K52-V119 HydrophobicContact CB-CB 4.17Å; K52-V119 PolarHBondContact N-O 2.66Å; K52-V119 PolarHBondContact O-N 2.8Å; V54-V119 HydrophobicContact CG2-CB 4.5Å; V54-V119 HydrophobicContact CG2-CG2 3.77Å; V119-K132 HydrophobicContact CG1-CD 4.17Å; V119-K132 HydrophobicContact CG1-CG 3.89Å; V119-S133 WeakPolarHBondContact CA-O 3.38Å; V119-T134 HydrophobicContact CG2-CG2 4.03Å
120	T	91.8	Very high	89.6	Confident	45 Å²	45	57.4 Å²	57.4	28%	0.276	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.2	174.5	58.2	0	0	0	0	110	F40 E50 L51 V118 K132 S133	F40-T120 HydrophobicContact CE1-CG2 4.25Å; E50-T120 WeakPolarHBondContact O-CA 3.25Å; L51-T120 HydrophobicContact CD1-CG2 3.67Å; V118-T120 HydrophobicContact CG1-CG2 4.34Å; T120-K132 WeakPolarHBondContact O-CA 3.45Å; T120-S133 PolarHBondContact N-O 3.39Å; T120-S133 PolarHBondContact O-N 2.87Å; T120-S133 WeakPolarHBondContact OG1-CB 3.27Å
121	S	91.8	Very high	88.6	Confident	12 Å²	12	60.7 Å²	60.7	8%	0.084	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	161.9	176	40.4	0	0	0	0	110.8	E50	E50-S121 PolarHBondContact N-O 2.84Å; E50-S121 PolarHBondContact O-N 3.18Å; E50-S121 PolarHBondContact OE2-OG 3.16Å
122	L	91	Very high	87.8	Confident	45 Å²	45	65.3 Å²	65.3	24%	0.236	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	130	169.9	-59	178.5	0	0	0	109.3	V48 A124 Y125 L131	V48-L122 HydrophobicContact CG1-CD2 3.83Å; L122-A124 PolarHBondContact O-N 2.99Å; L122-Y125 HydrophobicContact CB-CD2 4.29Å; L122-Y125 HydrophobicContact CD1-CD2 4.23Å; L122-Y125 CarbonylContact O-C 3.38Å; L122-Y125 PolarHBondContact O-N 3.41Å; L122-L131 HydrophobicContact CD1-CD1 4.29Å
123	K	89.6	Confident	87.2	Confident	108 Å²	108	68.2 Å²	68.2	47%	0.47	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-33.7	179.3	-71.8	-179.9	174.5	-179.6	0	113	A46 D47 V48 D49 E50 Y125 P126	A46-K123 WeakPolarHBondContact O-CE 3.43Å; A46-K123 PolarHBondContact O-NZ 2.95Å; D47-K123 WeakPolarHBondContact O-CD 3.35Å; V48-K123 PolarHBondContact O-N 3.2Å; D49-K123 WeakPolarHBondContact O-CE 3.35Å; E50-K123 HydrophobicContact CB-CG 4.08Å; K123-Y125 VanDerWaalsContact C-N 3.25Å; K123-Y125 PolarHBondContact O-N 3.35Å; K123-P126 WeakPolarHBondContact O-CD 3.4Å
124	A	88.3	Confident	86.7	Confident	76 Å²	76	70.3 Å²	70.3	63%	0.628	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-20	178.4	0	0	0	0	0	113.8	L122	L122-A124 PolarHBondContact O-N 2.99Å
125	Y	86	Confident	86.2	Confident	136 Å²	136	73.1 Å²	73.1	53%	0.533	39%	0.393	S	S	.	.			trans	-135.4	58.1	-174.4	-54.8	-73.8	0	0	0	111.9	L122 K123 T127 N128 L131	L122-Y125 HydrophobicContact CB-CD2 4.29Å; L122-Y125 HydrophobicContact CD1-CD2 4.23Å; L122-Y125 CarbonylContact O-C 3.38Å; L122-Y125 PolarHBondContact O-N 3.41Å; K123-Y125 VanDerWaalsContact C-N 3.25Å; K123-Y125 PolarHBondContact O-N 3.35Å; Y125-T127 PolarHBondContact O-N 3.47Å; Y125-T127 VanDerWaalsContact O-N 3.14Å; Y125-N128 PolarHBondContact O-N 2.83Å; Y125-N128 VanDerWaalsContact O-N 3.13Å; Y125-L131 HydrophobicContact CD2-CD1 3.81Å; Y125-L131 HydrophobicContact CG-CD1 3.88Å
126	P	73.8	Confident	85.6	Confident	85 Å²	85	75.6 Å²	75.6	55%	0.552	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-23.2	-168.7	28.1	-35.5	0	0	0	113.7	K123	K123-P126 WeakPolarHBondContact O-CD 3.4Å
127	T	78.3	Confident	84.8	Confident	131 Å²	131	78.8 Å²	78.8	80%	0.804	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-4.4	-179.1	52.4	0	0	0	0	113.4	Y125 E129	Y125-T127 PolarHBondContact O-N 3.47Å; Y125-T127 VanDerWaalsContact O-N 3.14Å; T127-E129 PolarHBondContact O-N 2.84Å; T127-E129 VanDerWaalsContact O-N 3.15Å
128	N	78.2	Confident	84.3	Confident	58 Å²	58	77 Å²	77	31%	0.31	42%	0.417	S	S	.	.			trans	-82.9	97.1	-178.8	-169.6	-22.2	0	0	0	110	Y125 H130 L131 K132	Y125-N128 PolarHBondContact O-N 2.83Å; Y125-N128 VanDerWaalsContact O-N 3.13Å; N128-H130 PolarHBondContact O-N 3.03Å; N128-H130 WeakPolarHBondContact OD1-CB 3.4Å; N128-H130 PolarHBondContact OD1-N 2.92Å; N128-H130 VanDerWaalsContact OD1-N 3.1Å; N128-L131 HydrophobicContact CB-CB 4.34Å; N128-L131 HydrophobicContact CB-CD1 4.09Å; N128-L131 HydrophobicContact CB-CG 4.32Å; N128-L131 WeakPolarHBondContact ND2-CD1 3.41Å; N128-L131 PolarHBondContact O-N 2.92Å; N128-K132 PolarHBondContact O-N 2.84Å
129	E	75.2	Confident	84.3	Confident	157 Å²	157	79.4 Å²	79.4	73%	0.734	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-59.8	-28.3	-179.8	-62.9	-164.9	153.8	0	0	113.1	T127 L131 K132	T127-E129 PolarHBondContact O-N 2.84Å; T127-E129 VanDerWaalsContact O-N 3.15Å; E129-L131 PolarHBondContact O-N 2.86Å; E129-K132 PolarHBondContact O-N 3.44Å
130	H	73.8	Confident	84.4	Confident	183 Å²	183	78.9 Å²	78.9	85%	0.847	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-68.2	-23	176.7	-60	-69.1	0	0	0	113.2	N128	N128-H130 PolarHBondContact O-N 3.03Å; N128-H130 WeakPolarHBondContact OD1-CB 3.4Å; N128-H130 PolarHBondContact OD1-N 2.92Å; N128-H130 VanDerWaalsContact OD1-N 3.1Å
131	L	77.2	Confident	84.7	Confident	74 Å²	74	77.6 Å²	77.6	39%	0.387	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-97.9	-0.3	177.1	-62.5	174.3	0	0	0	112.3	L122 Y125 N128 E129	L122-L131 HydrophobicContact CD1-CD1 4.29Å; Y125-L131 HydrophobicContact CD2-CD1 3.81Å; Y125-L131 HydrophobicContact CG-CD1 3.88Å; N128-L131 HydrophobicContact CB-CB 4.34Å; N128-L131 HydrophobicContact CB-CD1 4.09Å; N128-L131 HydrophobicContact CB-CG 4.32Å; N128-L131 WeakPolarHBondContact ND2-CD1 3.41Å; N128-L131 PolarHBondContact O-N 2.92Å; E129-L131 PolarHBondContact O-N 2.86Å
132	K	81.4	Confident	85	Confident	97 Å²	97	77 Å²	77	42%	0.422	41%	0.412	S	S	.	.			trans	-95.6	117.2	177.4	-174.9	-177.2	178.9	-175.2	0	109.2	V119 T120 N128 E129	V119-K132 HydrophobicContact CG1-CD 4.17Å; V119-K132 HydrophobicContact CG1-CG 3.89Å; T120-K132 WeakPolarHBondContact O-CA 3.45Å; N128-K132 PolarHBondContact O-N 2.84Å; E129-K132 PolarHBondContact O-N 3.44Å
133	S	85.8	Confident	85.4	Confident	61 Å²	61	74.9 Å²	74.9	43%	0.427	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.3	170.1	-177.3	0	0	0	0	109.6	V119 T120	V119-S133 WeakPolarHBondContact CA-O 3.38Å; T120-S133 PolarHBondContact N-O 3.39Å; T120-S133 PolarHBondContact O-N 2.87Å; T120-S133 WeakPolarHBondContact OG1-CB 3.27Å
134	T	87.5	Confident	85.8	Confident	76 Å²	76	69.8 Å²	69.8	47%	0.466	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.8	173	-59	0	0	0	0	108.3	K117 V118 V119	K117-T134 HydrophobicContact CB-CG2 4.25Å; K117-T134 HydrophobicContact CD-CG2 4.31Å; V118-T134 WeakPolarHBondContact O-CA 3.49Å; V119-T134 HydrophobicContact CG2-CG2 4.03Å
135	S	86.6	Confident	86.3	Confident	59 Å²	59	66.2 Å²	66.2	41%	0.413	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.6	176.2	-62.4	0	0	0	0	109.4	K117 V118 I137	K117-S135 WeakPolarHBondContact CA-O 3.35Å; V118-S135 PolarHBondContact N-O 2.71Å; V118-S135 PolarHBondContact O-N 3.26Å; S135-I137 PolarHBondContact O-N 3.04Å
136	L	82.1	Confident	86.9	Confident	110 Å²	110	59.7 Å²	59.7	58%	0.576	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	120.5	166.1	178.5	66.2	0	0	0	107.5	N115 K117	N115-L136 HydrophobicContact CB-CD1 3.93Å; K117-L136 HydrophobicContact CG-CD1 4.05Å
137	I	78.3	Confident	88.1	Confident	66 Å²	66	58.8 Å²	58.8	34%	0.338	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-54.3	-179	-60.5	-58.2	0	0	0	110.1	M1 L116 V118 S135	M1-I137 HydrophobicContact CG-CG2 4.09Å; M1-I137 HydrophobicContact SD-CG2 3.94Å; L116-I137 HydrophobicContact CD2-CB 4.37Å; L116-I137 HydrophobicContact CD2-CG2 4.45Å; L116-I137 HydrophobicContact CG-CB 4.25Å; L116-I137 HydrophobicContact CG-CG1 4.38Å; L116-I137 PolarHBondContact O-N 2.99Å; V118-I137 HydrophobicContact CB-CD1 4.18Å; V118-I137 HydrophobicContact CB-CG1 4.18Å; V118-I137 HydrophobicContact CG2-CD1 3.78Å; V118-I137 HydrophobicContact CG2-CG1 3.51Å; S135-I137 PolarHBondContact O-N 3.04Å
138	S	85.5	Confident	88.9	Confident	19 Å²	19	53.7 Å²	53.7	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	162.5	-174.3	-171.7	0	0	0	0	111.2	M1 L116	M1-S138 WeakPolarHBondContact CE-OG 3.39Å; L116-S138 PolarHBondContact N-O 2.94Å
139	D	93.3	Very high	89.8	Confident	59 Å²	59	58 Å²	58	32%	0.316	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	136.9	156.3	-69.3	-3.1	0	0	0	109.9	W114 N115	W114-D139 CarbonylContact O-C 3.56Å; W114-D139 WeakPolarHBondContact O-CA 3.44Å; N115-D139 PolarHBondContact ND2-OD1 2.86Å
140	I	96.5	Very high	90.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123	179.4	-56.6	-179.9	0	0	0	107.9	M1 L26 I28 F55 W114 L116 I142	M1-I140 HydrophobicContact SD-CD1 4.27Å; M1-I140 HydrophobicContact SD-CG1 4.38Å; L26-I140 HydrophobicContact CB-CG1 4.35Å; L26-I140 HydrophobicContact CB-CG2 4.27Å; L26-I140 HydrophobicContact CD2-CD1 4.24Å; L26-I140 HydrophobicContact CD2-CG1 4.45Å; L26-I140 HydrophobicContact CD2-CG2 4.14Å; L26-I140 HydrophobicContact CG-CG2 4.15Å; L26-I140 CarbonylContact O-C 3.48Å; L26-I140 WeakPolarHBondContact O-CA 3.49Å; I28-I140 HydrophobicContact CD1-CG2 4.04Å; I28-I140 HydrophobicContact CG1-CG2 4.01Å; F55-I140 HydrophobicContact CE1-CD1 4.17Å; W114-I140 PolarHBondContact N-O 3.26Å; W114-I140 PolarHBondContact O-N 3.07Å; L116-I140 HydrophobicContact CB-CD1 3.6Å; L116-I140 HydrophobicContact CB-CG1 4.3Å; L116-I140 HydrophobicContact CD2-CD1 3.65Å; L116-I140 HydrophobicContact CG-CD1 4.25Å; I140-I142 HydrophobicContact CG2-CG1 4.18Å
141	Y	98.2	Very high	91.9	Very high	18 Å²	18	44 Å²	44	7%	0.071	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.5	172.3	-66.4	-85.8	0	0	0	109.5	N25 L26 V27 I28 C113 L194 E195 I198	N25-Y141 HydrophobicContact CB-CD2 3.79Å; N25-Y141 HydrophobicContact CB-CE2 3.62Å; L26-Y141 PolarHBondContact O-N 3.42Å; V27-Y141 HydrophobicContact CG2-CD2 4.16Å; I28-Y141 WeakPolarHBondContact CG1-O 3.42Å; I28-Y141 PolarHBondContact N-O 2.8Å; C113-Y141 HydrophobicContact CB-CD1 3.96Å; C113-Y141 HydrophobicContact CB-CE1 3.73Å; Y141-L194 HydrophobicContact CD1-CD1 4.22Å; Y141-L194 HydrophobicContact CD1-CD2 3.93Å; Y141-L194 HydrophobicContact CD1-CG 3.97Å; Y141-L194 HydrophobicContact CD2-CD2 3.75Å; Y141-L194 HydrophobicContact CE1-CD2 4.23Å; Y141-L194 HydrophobicContact CE1-CG 4.06Å; Y141-L194 HydrophobicContact CE2-CD2 4.05Å; Y141-L194 HydrophobicContact CG-CD2 3.68Å; Y141-L194 HydrophobicContact CG-CG 4.25Å; Y141-E195 PolarHBondContact OH-OE1 3.13Å; Y141-I198 HydrophobicContact CD1-CG1 4.07Å; Y141-I198 HydrophobicContact CE1-CG1 4.04Å
142	I	98.5	Very high	92.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.7	175.4	-51.5	-175.9	0	0	0	108.2	I28 R30 W87 V105 C109 V111 G112 W114 I140	I28-I142 HydrophobicContact CD1-CG1 4.16Å; I28-I142 HydrophobicContact CG1-CG1 4.07Å; I28-I142 WeakPolarHBondContact O-CA 3.44Å; R30-I142 HydrophobicContact CB-CG2 3.98Å; W87-I142 HydrophobicContact CH2-CD1 4.04Å; V105-I142 HydrophobicContact CG1-CD1 4.09Å; V105-I142 HydrophobicContact CG2-CD1 4.46Å; V105-I142 HydrophobicContact CG2-CG2 4.01Å; C109-I142 HydrophobicContact CB-CG2 4.42Å; V111-I142 VanDerWaalsContact CA-O 3.3Å; V111-I142 WeakPolarHBondContact CA-O 3.48Å; V111-I142 WeakPolarHBondContact CG1-O 3.3Å; G112-I142 PolarHBondContact N-O 2.87Å; G112-I142 PolarHBondContact O-N 2.99Å; W114-I142 HydrophobicContact CB-CD1 4.43Å; W114-I142 HydrophobicContact CD2-CD1 4.34Å; W114-I142 HydrophobicContact CG-CD1 3.88Å; W114-I142 HydrophobicContact CG-CG1 4.34Å; I140-I142 HydrophobicContact CG2-CG1 4.18Å
143	L	98.8	Very high	93.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	167.7	-175.4	-51.3	-174.8	0	0	0	111.7	T12 F15 V27 I28 R29 R30 L194 C286	T12-L143 HydrophobicContact CG2-CD1 4.17Å; F15-L143 HydrophobicContact CE2-CD1 3.87Å; F15-L143 HydrophobicContact CZ-CD1 3.92Å; V27-L143 HydrophobicContact CG1-CD1 3.63Å; V27-L143 HydrophobicContact CG1-CG 4.04Å; I28-L143 PolarHBondContact O-N 2.81Å; R29-L143 HydrophobicContact CG-CB 4.39Å; R30-L143 WeakPolarHBondContact CG-O 3.45Å; R30-L143 PolarHBondContact N-O 3.48Å; L143-L194 HydrophobicContact CD2-CD1 4.21Å; L143-C286 WeakPolarHBondContact CD1-O 3.49Å
144	F	98.8	Very high	94.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.			trans	-62.2	151.3	165.8	-72.5	-75.6	0	0	0	111	R29 R30 V111 P146 V153 P214 V217 I287 G288 I289	R29-F144 PolarHBondContact NH1-O 3.17Å; R29-F144 VanDerWaalsContact NH1-O 3.13Å; R30-F144 VanDerWaalsContact NH2-CE1 3.29Å; V111-F144 HydrophobicContact CB-CD2 4.28Å; V111-F144 HydrophobicContact CB-CE2 3.97Å; V111-F144 HydrophobicContact CB-CZ 4.34Å; V111-F144 HydrophobicContact CG1-CD2 4.2Å; V111-F144 HydrophobicContact CG1-CE2 4.15Å; V111-F144 HydrophobicContact CG2-CD1 4.05Å; V111-F144 HydrophobicContact CG2-CD2 3.63Å; V111-F144 HydrophobicContact CG2-CE1 4.04Å; V111-F144 HydrophobicContact CG2-CE2 3.63Å; V111-F144 HydrophobicContact CG2-CG 3.82Å; V111-F144 HydrophobicContact CG2-CZ 3.82Å; F144-P146 WeakPolarHBondContact O-CD 3.5Å; F144-V153 HydrophobicContact CB-CG1 4.45Å; F144-V153 HydrophobicContact CB-CG2 3.72Å; F144-V153 HydrophobicContact CD1-CG1 3.97Å; F144-V153 HydrophobicContact CD1-CG2 4.31Å; F144-V153 HydrophobicContact CG-CG1 4.3Å; F144-V153 HydrophobicContact CG-CG2 4.38Å; F144-P214 HydrophobicContact CD1-CB 4.47Å; F144-P214 HydrophobicContact CE1-CB 3.89Å; F144-P214 HydrophobicContact CE1-CG 4.26Å; F144-P214 HydrophobicContact CZ-CB 3.99Å; F144-V217 HydrophobicContact CE2-CB 4.46Å; F144-V217 HydrophobicContact CE2-CG1 4.3Å; F144-V217 HydrophobicContact CE2-CG2 4.24Å; F144-V217 HydrophobicContact CZ-CB 4.48Å; F144-V217 HydrophobicContact CZ-CG2 4.04Å; F144-I287 WeakPolarHBondContact CB-O 3.44Å; F144-I287 HydrophobicContact CD2-CD1 4.4Å; F144-I287 HydrophobicContact CD2-CG1 4.25Å; F144-I287 WeakPolarHBondContact CD2-O 3.35Å; F144-I287 HydrophobicContact CE2-CD1 4.25Å; F144-I287 PolarHBondContact N-O 3.21Å; F144-G288 WeakPolarHBondContact CB-O 3.43Å; F144-I289 HydrophobicContact CB-CG1 4.41Å; F144-I289 HydrophobicContact CD2-CD1 3.88Å; F144-I289 HydrophobicContact CD2-CG1 3.47Å; F144-I289 VanDerWaalsContact CD2-CG1 3.47Å; F144-I289 HydrophobicContact CE2-CD1 3.76Å; F144-I289 HydrophobicContact CE2-CG1 3.9Å; F144-I289 HydrophobicContact CG-CG1 3.98Å; F144-I289 HydrophobicContact CZ-CD1 4.46Å
145	N	98.7	Very high	94.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.167	C	C	.	.			trans	-122.7	90	-175.1	-161.2	-11.8	0	0	0	113.4	R29 R30 W147 N148 D151	R29-N145 HydrophobicContact CB-CB 3.68Å; R30-N145 HydrophobicContact CG-CB 4.29Å; R30-N145 WeakPolarHBondContact O-CB 3.4Å; R30-N145 PolarHBondContact O-ND2 3.13Å; N145-W147 PolarHBondContact O-N 2.78Å; N145-W147 PolarHBondContact OD1-N 2.89Å; N145-N148 HydrophobicContact CB-CB 3.89Å; N145-N148 PolarHBondContact O-N 2.93Å; N145-N148 PolarHBondContact OD1-N 3.1Å; N145-D151 WeakPolarHBondContact CA-OD2 3.31Å; N145-D151 HydrophobicContact CB-CB 4.35Å; N145-D151 WeakPolarHBondContact CB-OD2 3.42Å; N145-D151 PolarHBondContact N-OD2 3.33Å; N145-D151 VanDerWaalsContact O-CB 3.23Å; N145-D151 WeakPolarHBondContact O-CB 3.36Å
146	P	98.5	Very high	95	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-5.5	179.9	29.5	-31.7	0	0	0	114	F144 V153 F154 M155 V160 V164 G288 P290	F144-P146 WeakPolarHBondContact O-CD 3.5Å; P146-V153 HydrophobicContact CB-CG2 4.19Å; P146-V153 WeakPolarHBondContact CB-O 3.46Å; P146-F154 WeakPolarHBondContact O-CD2 3.41Å; P146-M155 PolarHBondContact O-N 2.85Å; P146-V160 HydrophobicContact CB-CG2 3.73Å; P146-V160 HydrophobicContact CG-CG2 3.98Å; P146-V164 HydrophobicContact CB-CG2 4.42Å; P146-V164 HydrophobicContact CG-CG1 4.38Å; P146-V164 HydrophobicContact CG-CG2 3.74Å; P146-G288 WeakPolarHBondContact CD-O 3.43Å; P146-P290 HydrophobicContact CB-CG 3.5Å; P146-P290 VanDerWaalsContact CB-CG 3.5Å; P146-P290 HydrophobicContact CG-CG 4.17Å
147	W	98	Very high	95.5	Very high	65 Å²	65	35.9 Å²	35.9	25%	0.246	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-6.8	172.7	-65	-88	0	0	0	113.5	H11 R29 N145 V160 V164 L165	H11-W147 HydrophobicContact CB-CE3 4.31Å; H11-W147 HydrophobicContact CB-CH2 3.87Å; H11-W147 HydrophobicContact CB-CZ2 4.15Å; H11-W147 HydrophobicContact CB-CZ3 3.97Å; H11-W147 AromaticContact CE1-CD1 3.96Å; H11-W147 AromaticContact CE1-CE2 3.76Å; H11-W147 AromaticContact CE1-NE1 3.57Å; H11-W147 AromaticContact ND1-CD2 3.97Å; H11-W147 AromaticContact ND1-CE2 3.4Å; H11-W147 AromaticContact ND1-CZ2 3.48Å; H11-W147 WeakPolarHBondContact ND1-CZ2 3.48Å; H11-W147 AromaticContact ND1-NE1 3.67Å; R29-W147 VanDerWaalsContact CZ-CZ3 3.45Å; R29-W147 VanDerWaalsContact NE-CZ3 3.26Å; N145-W147 PolarHBondContact O-N 2.78Å; N145-W147 PolarHBondContact OD1-N 2.89Å; W147-V160 HydrophobicContact CZ2-CG1 4.28Å; W147-V160 HydrophobicContact CZ2-CG2 4.31Å; W147-V164 HydrophobicContact CH2-CB 4.07Å; W147-V164 HydrophobicContact CH2-CG1 3.74Å; W147-V164 HydrophobicContact CZ3-CG1 4.1Å; W147-L165 HydrophobicContact CH2-CD1 4.12Å; W147-L165 HydrophobicContact CH2-CD2 3.85Å; W147-L165 HydrophobicContact CH2-CG 3.9Å; W147-L165 HydrophobicContact CZ2-CD1 3.87Å; W147-L165 HydrophobicContact CZ2-CD2 4.44Å; W147-L165 HydrophobicContact CZ2-CG 4.06Å
148	N	96.8	Very high	96.1	Very high	25 Å²	25	41.3 Å²	41.3	13%	0.134	20%	0.2	C	C	.	.			trans	-101.8	119.4	-179.6	-176.9	-63.1	0	0	0	110.8	G31 N145 D150 D151 F154	G31-N148 PolarHBondContact O-ND2 3.21Å; N145-N148 HydrophobicContact CB-CB 3.89Å; N145-N148 PolarHBondContact O-N 2.93Å; N145-N148 PolarHBondContact OD1-N 3.1Å; N148-D150 PolarHBondContact O-N 2.7Å; N148-D150 VanDerWaalsContact O-N 3.12Å; N148-D150 WeakPolarHBondContact OD1-CA 3.22Å; N148-D150 VanDerWaalsContact OD1-CB 3.27Å; N148-D150 WeakPolarHBondContact OD1-CB 3.5Å; N148-D150 PolarHBondContact OD1-N 3.24Å; N148-D151 HydrophobicContact CB-CB 4.27Å; N148-D151 WeakPolarHBondContact O-CB 3.11Å; N148-D151 PolarHBondContact O-N 3.18Å; N148-D151 PolarHBondContact OD1-N 3.17Å; N148-F154 VanDerWaalsContact C-CD2 3.4Å; N148-F154 VanDerWaalsContact O-CB 3.29Å; N148-F154 WeakPolarHBondContact O-CB 3.44Å; N148-F154 WeakPolarHBondContact O-CD2 3.22Å
149	K	95.9	Very high	96.5	Very high	148 Å²	148	43.5 Å²	43.5	64%	0.643	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.3	-178.6	67.8	177.9	-176.1	175.7	0	115.6	F154	K149-F154 HydrophobicContact CB-CD1 4.33Å; K149-F154 HydrophobicContact CB-CD2 4.46Å; K149-F154 HydrophobicContact CB-CE1 4.23Å; K149-F154 HydrophobicContact CB-CE2 4.37Å; K149-F154 HydrophobicContact CB-CG 4.45Å; K149-F154 HydrophobicContact CB-CZ 4.26Å
150	D	95.3	Very high	96.7	Very high	47 Å²	47	41 Å²	41	25%	0.251	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-6	-178.9	-56.2	-63.2	0	0	0	111.7	V84 Q85 P107 N148	V84-D150 WeakPolarHBondContact CG1-OD2 3.43Å; Q85-D150 PolarHBondContact NE2-OD1 2.97Å; P107-D150 HydrophobicContact CB-CB 3.97Å; P107-D150 HydrophobicContact CG-CB 3.87Å; N148-D150 PolarHBondContact O-N 2.7Å; N148-D150 VanDerWaalsContact O-N 3.12Å; N148-D150 WeakPolarHBondContact OD1-CA 3.22Å; N148-D150 VanDerWaalsContact OD1-CB 3.27Å; N148-D150 WeakPolarHBondContact OD1-CB 3.5Å; N148-D150 PolarHBondContact OD1-N 3.24Å
151	D	97.6	Very high	96.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-85.4	137.2	172.6	-163	-40.5	0	0	0	111	R30 N145 N148 V153 F154	R30-D151 WeakPolarHBondContact CG-OD2 3.39Å; R30-D151 IonicContact CZ-OD1 3.64Å; R30-D151 IonicContact CZ-OD2 3.73Å; R30-D151 IonicContact NE-OD1 3.98Å; R30-D151 PolarHBondContact NE-OD1 2.94Å; R30-D151 IonicContact NE-OD2 2.73Å; R30-D151 PolarHBondContact NE-OD2 3.17Å; R30-D151 IonicContact NH2-OD1 3.57Å; R30-D151 PolarHBondContact NH2-OD1 3.46Å; R30-D151 IonicContact NH2-OD2 3.4Å; N145-D151 WeakPolarHBondContact CA-OD2 3.31Å; N145-D151 HydrophobicContact CB-CB 4.35Å; N145-D151 WeakPolarHBondContact CB-OD2 3.42Å; N145-D151 PolarHBondContact N-OD2 3.33Å; N145-D151 VanDerWaalsContact O-CB 3.23Å; N145-D151 WeakPolarHBondContact O-CB 3.36Å; N148-D151 HydrophobicContact CB-CB 4.27Å; N148-D151 WeakPolarHBondContact O-CB 3.11Å; N148-D151 PolarHBondContact O-N 3.18Å; N148-D151 PolarHBondContact OD1-N 3.17Å; D151-V153 PolarHBondContact O-N 2.89Å; D151-V153 VanDerWaalsContact O-N 3.09Å; D151-V153 WeakPolarHBondContact OD1-CG2 3.47Å; D151-V153 PolarHBondContact OD1-N 3.07Å; D151-F154 VanDerWaalsContact O-CB 3.24Å; D151-F154 WeakPolarHBondContact O-CB 3.06Å; D151-F154 PolarHBondContact O-N 3.09Å
152	V	96.6	Very high	96.6	Very high	19 Å²	19	46.3 Å²	46.3	12%	0.115	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.2	175.9	-177.6	0	0	0	0	112.5	P214 M339 Q340	V152-P214 HydrophobicContact CB-CG 3.96Å; V152-P214 HydrophobicContact CG1-CG 3.57Å; V152-M339 HydrophobicContact CG1-CB 4.4Å; V152-M339 CarbonylContact O-C 2.99Å; V152-M339 WeakPolarHBondContact O-CA 3.29Å; V152-Q340 HydrophobicContact CG1-CB 4.09Å; V152-Q340 PolarHBondContact O-N 3.2Å
153	V	98.4	Very high	96.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	9.4	177.3	-56.1	0	0	0	0	114.5	F144 P146 D151 M155 P214 I289 M339	F144-V153 HydrophobicContact CB-CG1 4.45Å; F144-V153 HydrophobicContact CB-CG2 3.72Å; F144-V153 HydrophobicContact CD1-CG1 3.97Å; F144-V153 HydrophobicContact CD1-CG2 4.31Å; F144-V153 HydrophobicContact CG-CG1 4.3Å; F144-V153 HydrophobicContact CG-CG2 4.38Å; P146-V153 HydrophobicContact CB-CG2 4.19Å; P146-V153 WeakPolarHBondContact CB-O 3.46Å; D151-V153 PolarHBondContact O-N 2.89Å; D151-V153 VanDerWaalsContact O-N 3.09Å; D151-V153 WeakPolarHBondContact OD1-CG2 3.47Å; D151-V153 PolarHBondContact OD1-N 3.07Å; V153-M155 PolarHBondContact O-N 2.96Å; V153-P214 HydrophobicContact CG1-CB 3.69Å; V153-P214 HydrophobicContact CG1-CG 3.78Å; V153-I289 HydrophobicContact CG1-CG1 4.27Å; V153-M339 HydrophobicContact CG1-CB 4.45Å
154	F	98	Very high	96.6	Very high	52 Å²	52	46.8 Å²	46.8	23%	0.228	23%	0.225	C	C	.	.			trans	-52.5	127.3	-179.8	179.2	-120.8	0	0	0	112.3	P146 N148 K149 D151 E156 W338	P146-F154 WeakPolarHBondContact O-CD2 3.41Å; N148-F154 VanDerWaalsContact C-CD2 3.4Å; N148-F154 VanDerWaalsContact O-CB 3.29Å; N148-F154 WeakPolarHBondContact O-CB 3.44Å; N148-F154 WeakPolarHBondContact O-CD2 3.22Å; K149-F154 HydrophobicContact CB-CD1 4.33Å; K149-F154 HydrophobicContact CB-CD2 4.46Å; K149-F154 HydrophobicContact CB-CE1 4.23Å; K149-F154 HydrophobicContact CB-CE2 4.37Å; K149-F154 HydrophobicContact CB-CG 4.45Å; K149-F154 HydrophobicContact CB-CZ 4.26Å; D151-F154 VanDerWaalsContact O-CB 3.24Å; D151-F154 WeakPolarHBondContact O-CB 3.06Å; D151-F154 PolarHBondContact O-N 3.09Å; F154-E156 HydrophobicContact CE1-CB 3.89Å; F154-E156 HydrophobicContact CE1-CG 4.48Å; F154-E156 HydrophobicContact CZ-CB 4.04Å; F154-E156 HydrophobicContact CZ-CG 4.43Å; F154-W338 PolarHBondContact O-NE1 3.13Å
155	M	97.3	Very high	96.5	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.039	23%	0.233	C	C	.	.			trans	-120.8	111.5	173.8	-177.1	179.2	-72.6	0	0	109.2	P146 V153 S157 V160 Y163 P290 W338 W351	P146-M155 PolarHBondContact O-N 2.85Å; V153-M155 PolarHBondContact O-N 2.96Å; M155-S157 VanDerWaalsContact C-N 3.26Å; M155-S157 PolarHBondContact O-N 3.49Å; M155-V160 HydrophobicContact CB-CB 4.2Å; M155-V160 HydrophobicContact CB-CG2 4.08Å; M155-V160 HydrophobicContact CG-CB 4.24Å; M155-V160 HydrophobicContact SD-CB 3.92Å; M155-V160 HydrophobicContact SD-CG2 4.34Å; M155-Y163 HydrophobicContact CE-CD2 3.81Å; M155-Y163 HydrophobicContact CE-CE2 4.33Å; M155-Y163 HydrophobicContact SD-CD2 3.59Å; M155-Y163 VanDerWaalsContact SD-CD2 3.59Å; M155-Y163 HydrophobicContact SD-CE2 4.09Å; M155-P290 HydrophobicContact CB-CG 4.47Å; M155-P290 HydrophobicContact CE-CB 3.54Å; M155-P290 HydrophobicContact CE-CG 4.11Å; M155-P290 HydrophobicContact SD-CB 4.42Å; M155-W338 HydrophobicContact CB-CG 4.46Å; M155-W338 HydrophobicContact CE-CB 3.42Å; M155-W338 VanDerWaalsContact CE-CB 3.42Å; M155-W338 HydrophobicContact CE-CD2 3.51Å; M155-W338 HydrophobicContact CE-CE3 3.89Å; M155-W338 HydrophobicContact CE-CG 3.29Å; M155-W338 HydrophobicContact CG-CD2 4.49Å; M155-W351 HydrophobicContact CE-CH2 3.66Å; M155-W351 HydrophobicContact CE-CZ2 3.68Å; M155-W351 HydrophobicContact CE-CZ3 4.44Å
156	E	94.2	Very high	96.4	Very high	172 Å²	172	50 Å²	50	80%	0.804	24%	0.242	S	C	*	.			trans	-69.2	-24.8	-179.9	-171.3	172.5	-162.8	0	0	112.9	F154	F154-E156 HydrophobicContact CE1-CB 3.89Å; F154-E156 HydrophobicContact CE1-CG 4.48Å; F154-E156 HydrophobicContact CZ-CB 4.04Å; F154-E156 HydrophobicContact CZ-CG 4.43Å
157	S	92.5	Very high	96.3	Very high	54 Å²	54	52.5 Å²	52.5	38%	0.378	26%	0.255	S	S	.	.	S	Bend	trans	-65.9	138.9	179.2	-175.1	0	0	0	0	112	M155 D159 V160	M155-S157 VanDerWaalsContact C-N 3.26Å; M155-S157 PolarHBondContact O-N 3.49Å; S157-D159 PolarHBondContact O-N 3.18Å; S157-D159 VanDerWaalsContact O-N 3.1Å; S157-D159 WeakPolarHBondContact OG-CB 3.45Å; S157-D159 PolarHBondContact OG-N 3.2Å; S157-D159 VanDerWaalsContact OG-N 3.14Å; S157-D159 PolarHBondContact OG-OD2 3.19Å; S157-D159 VanDerWaalsContact OG-OD2 3.13Å; S157-V160 WeakPolarHBondContact O-CB 3.36Å; S157-V160 PolarHBondContact O-N 3.36Å; S157-V160 VanDerWaalsContact O-N 3.13Å
158	E	90.4	Very high	96.2	Very high	181 Å²	181	51.9 Å²	51.9	85%	0.846	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.9	169.2	-61.8	-177.5	174.1	0	0	112.4	V160	E158-V160 PolarHBondContact O-N 2.81Å; E158-V160 VanDerWaalsContact O-N 3.09Å
159	D	94.9	Very high	96.1	Very high	65 Å²	65	50.8 Å²	50.8	35%	0.348	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-8.7	175.5	-61.7	-35	0	0	0	113.7	S157 E161 E162 Y163 P416	S157-D159 PolarHBondContact O-N 3.18Å; S157-D159 VanDerWaalsContact O-N 3.1Å; S157-D159 WeakPolarHBondContact OG-CB 3.45Å; S157-D159 PolarHBondContact OG-N 3.2Å; S157-D159 VanDerWaalsContact OG-N 3.14Å; S157-D159 PolarHBondContact OG-OD2 3.19Å; S157-D159 VanDerWaalsContact OG-OD2 3.13Å; D159-E161 PolarHBondContact O-N 2.94Å; D159-E161 VanDerWaalsContact O-N 3.07Å; D159-E162 WeakPolarHBondContact O-CB 3.47Å; D159-E162 PolarHBondContact O-N 3.14Å; D159-Y163 HydrophobicContact CB-CD2 4.13Å; D159-Y163 HydrophobicContact CB-CE2 3.55Å; D159-Y163 WeakPolarHBondContact O-CD2 3.37Å; D159-Y163 PolarHBondContact O-N 2.75Å; D159-P416 HydrophobicContact CB-CB 3.74Å; D159-P416 HydrophobicContact CB-CG 3.95Å; D159-P416 VanDerWaalsContact CG-CB 3.45Å; D159-P416 WeakPolarHBondContact OD1-CB 3.45Å
160	V	96.9	Very high	96	Very high	7 Å²	7	44 Å²	44	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-50.8	-33.8	178.5	65.8	0	0	0	0	112.8	P146 W147 M155 S157 E158 E162 Y163 V164 P290	P146-V160 HydrophobicContact CB-CG2 3.73Å; P146-V160 HydrophobicContact CG-CG2 3.98Å; W147-V160 HydrophobicContact CZ2-CG1 4.28Å; W147-V160 HydrophobicContact CZ2-CG2 4.31Å; M155-V160 HydrophobicContact CB-CB 4.2Å; M155-V160 HydrophobicContact CB-CG2 4.08Å; M155-V160 HydrophobicContact CG-CB 4.24Å; M155-V160 HydrophobicContact SD-CB 3.92Å; M155-V160 HydrophobicContact SD-CG2 4.34Å; S157-V160 WeakPolarHBondContact O-CB 3.36Å; S157-V160 PolarHBondContact O-N 3.36Å; S157-V160 VanDerWaalsContact O-N 3.13Å; E158-V160 PolarHBondContact O-N 2.81Å; E158-V160 VanDerWaalsContact O-N 3.09Å; V160-E162 PolarHBondContact O-N 2.92Å; V160-Y163 PolarHBondContact O-N 3.02Å; V160-V164 HydrophobicContact CG2-CG2 3.99Å; V160-V164 WeakPolarHBondContact O-CB 3.27Å; V160-V164 WeakPolarHBondContact O-CG2 3.35Å; V160-V164 PolarHBondContact O-N 3Å; V160-V164 VanDerWaalsContact O-N 3.07Å; V160-P290 HydrophobicContact CG2-CG 4.49Å
161	E	96.1	Very high	96	Very high	112 Å²	112	41.9 Å²	41.9	52%	0.523	21%	0.212	S	C	.	.	H	α-helix	trans	-62.9	-39.7	176.9	-61.8	-168.2	166.7	0	0	112.4	D159 Y163 V164 L165 N166	D159-E161 PolarHBondContact O-N 2.94Å; D159-E161 VanDerWaalsContact O-N 3.07Å; E161-Y163 PolarHBondContact O-N 3.15Å; E161-V164 PolarHBondContact O-N 3.1Å; E161-L165 HydrophobicContact CB-CD1 4.39Å; E161-L165 HydrophobicContact CG-CD1 4.13Å; E161-L165 CarbonylContact O-C 3.52Å; E161-L165 WeakPolarHBondContact O-CA 3.41Å; E161-L165 WeakPolarHBondContact O-CB 3.17Å; E161-L165 PolarHBondContact O-N 3.38Å; E161-N166 PolarHBondContact O-N 3.36Å
162	E	96.7	Very high	95.9	Very high	16 Å²	16	42 Å²	42	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-60.9	-38.5	175.3	171.3	66	-164.2	0	0	111.2	D159 V160 N166 R285 K414 P416	D159-E162 WeakPolarHBondContact O-CB 3.47Å; D159-E162 PolarHBondContact O-N 3.14Å; V160-E162 PolarHBondContact O-N 2.92Å; E162-N166 WeakPolarHBondContact O-CB 3.34Å; E162-N166 PolarHBondContact OE2-ND2 3.4Å; E162-R285 PolarHBondContact O-NH1 2.87Å; E162-R285 PolarHBondContact O-NH2 3.26Å; E162-R285 VanDerWaalsContact O-NH2 3.12Å; E162-K414 VanDerWaalsContact OE1-CD 3.32Å; E162-K414 WeakPolarHBondContact OE1-CD 3.37Å; E162-K414 WeakPolarHBondContact OE1-CE 3.44Å; E162-K414 IonicContact OE1-NZ 3.36Å; E162-K414 PolarHBondContact OE1-NZ 3.43Å; E162-K414 IonicContact OE2-NZ 3.72Å; E162-K414 PolarHBondContact OE2-NZ 2.98Å; E162-P416 HydrophobicContact CB-CB 3.97Å; E162-P416 HydrophobicContact CG-CB 4.09Å; E162-P416 HydrophobicContact CG-CG 4.31Å
163	Y	98	Very high	95.8	Very high	10 Å²	10	44.1 Å²	44.1	4%	0.039	22%	0.218	C	C	.	.	H	α-helix	trans	-90.7	-5.5	-170.2	-55.8	-53.9	0	0	0	113.8	M155 D159 V160 E161 R285 P290 T291 R292 W351 P416	M155-Y163 HydrophobicContact CE-CD2 3.81Å; M155-Y163 HydrophobicContact CE-CE2 4.33Å; M155-Y163 HydrophobicContact SD-CD2 3.59Å; M155-Y163 VanDerWaalsContact SD-CD2 3.59Å; M155-Y163 HydrophobicContact SD-CE2 4.09Å; D159-Y163 HydrophobicContact CB-CD2 4.13Å; D159-Y163 HydrophobicContact CB-CE2 3.55Å; D159-Y163 WeakPolarHBondContact O-CD2 3.37Å; D159-Y163 PolarHBondContact O-N 2.75Å; V160-Y163 PolarHBondContact O-N 3.02Å; E161-Y163 PolarHBondContact O-N 3.15Å; Y163-R285 VanDerWaalsContact O-CG 3.28Å; Y163-R285 WeakPolarHBondContact O-CG 3.4Å; Y163-R285 PolarHBondContact O-NE 3.02Å; Y163-P290 WeakPolarHBondContact O-CA 3.23Å; Y163-T291 PolarHBondContact O-N 3.3Å; Y163-R292 HydrophobicContact CD1-CB 3.88Å; Y163-R292 HydrophobicContact CE1-CB 3.88Å; Y163-R292 HydrophobicContact CE1-CG 4.39Å; Y163-W351 AromaticContact CD1-CH2 3.83Å; Y163-W351 HydrophobicContact CD1-CH2 3.83Å; Y163-W351 HydrophobicContact CD1-CZ2 4.28Å; Y163-W351 AromaticContact CD2-CH2 3.76Å; Y163-W351 HydrophobicContact CD2-CH2 3.76Å; Y163-W351 AromaticContact CD2-CZ2 3.85Å; Y163-W351 HydrophobicContact CD2-CZ2 3.85Å; Y163-W351 HydrophobicContact CE1-CH2 4.02Å; Y163-W351 HydrophobicContact CE1-CZ2 4.04Å; Y163-W351 AromaticContact CE2-CH2 3.95Å; Y163-W351 HydrophobicContact CE2-CH2 3.95Å; Y163-W351 AromaticContact CE2-CZ2 3.57Å; Y163-W351 HydrophobicContact CE2-CZ2 3.57Å; Y163-W351 AromaticContact CG-CH2 3.67Å; Y163-W351 HydrophobicContact CG-CH2 3.67Å; Y163-W351 HydrophobicContact CG-CZ2 4.17Å; Y163-W351 AromaticContact CZ-CZ2 3.64Å; Y163-P416 HydrophobicContact CE1-CG 4.05Å; Y163-P416 HydrophobicContact CE2-CG 4.06Å; Y163-P416 VanDerWaalsContact CZ-CG 3.45Å; Y163-P416 WeakPolarHBondContact OH-CG 3.23Å
164	V	98.4	Very high	95.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-131.1	-47.8	-178	-177.1	0	0	0	0	111.8	P146 W147 V160 E161 Q188 P290	P146-V164 HydrophobicContact CB-CG2 4.42Å; P146-V164 HydrophobicContact CG-CG1 4.38Å; P146-V164 HydrophobicContact CG-CG2 3.74Å; W147-V164 HydrophobicContact CH2-CB 4.07Å; W147-V164 HydrophobicContact CH2-CG1 3.74Å; W147-V164 HydrophobicContact CZ3-CG1 4.1Å; V160-V164 HydrophobicContact CG2-CG2 3.99Å; V160-V164 WeakPolarHBondContact O-CB 3.27Å; V160-V164 WeakPolarHBondContact O-CG2 3.35Å; V160-V164 PolarHBondContact O-N 3Å; V160-V164 VanDerWaalsContact O-N 3.07Å; E161-V164 PolarHBondContact O-N 3.1Å; V164-Q188 PolarHBondContact O-NE2 3.02Å; V164-P290 HydrophobicContact CG2-CB 3.85Å; V164-P290 HydrophobicContact CG2-CG 3.8Å
165	L	97.6	Very high	95.4	Very high	35 Å²	35	45 Å²	45	18%	0.183	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-23.1	-171.4	-56.6	-177.4	0	0	0	113.4	H11 W147 E161 D167 F189	H11-L165 HydrophobicContact CB-CD2 4.44Å; W147-L165 HydrophobicContact CH2-CD1 4.12Å; W147-L165 HydrophobicContact CH2-CD2 3.85Å; W147-L165 HydrophobicContact CH2-CG 3.9Å; W147-L165 HydrophobicContact CZ2-CD1 3.87Å; W147-L165 HydrophobicContact CZ2-CD2 4.44Å; W147-L165 HydrophobicContact CZ2-CG 4.06Å; E161-L165 HydrophobicContact CB-CD1 4.39Å; E161-L165 HydrophobicContact CG-CD1 4.13Å; E161-L165 CarbonylContact O-C 3.52Å; E161-L165 WeakPolarHBondContact O-CA 3.41Å; E161-L165 WeakPolarHBondContact O-CB 3.17Å; E161-L165 PolarHBondContact O-N 3.38Å; L165-D167 PolarHBondContact O-N 2.93Å; L165-F189 HydrophobicContact CD2-CZ 4.04Å; L165-F189 VanDerWaalsContact O-CE2 3.28Å; L165-F189 WeakPolarHBondContact O-CE2 3.37Å
166	N	96.3	Very high	95.1	Very high	34 Å²	34	46.2 Å²	46.2	18%	0.182	24%	0.244	C	C	.	.			trans	-71.5	121.1	175.4	-162.4	-10.3	0	0	0	110	E161 E162 V168 Q188 R285	E161-N166 PolarHBondContact O-N 3.36Å; E162-N166 WeakPolarHBondContact O-CB 3.34Å; E162-N166 PolarHBondContact OE2-ND2 3.4Å; N166-V168 WeakPolarHBondContact OD1-CG2 3.27Å; N166-V168 PolarHBondContact OD1-N 2.9Å; N166-V168 PolarHBondContact OD1-O 3.39Å; N166-V168 VanDerWaalsContact OD1-O 3.07Å; N166-Q188 PolarHBondContact O-NE2 3.22Å; N166-R285 PolarHBondContact O-NH1 2.88Å
167	D	96.9	Very high	95	Very high	53 Å²	53	45.3 Å²	45.3	28%	0.283	25%	0.245	S	C	.	.			trans	-102.1	6.6	-174.4	70.5	-18.8	0	0	0	113.8	L165 F186 G187 Q188 F189	L165-D167 PolarHBondContact O-N 2.93Å; D167-F186 WeakPolarHBondContact O-CA 3.14Å; D167-F186 WeakPolarHBondContact O-CB 3.25Å; D167-F186 PolarHBondContact O-N 2.68Å; D167-G187 PolarHBondContact O-N 3.35Å; D167-Q188 VanDerWaalsContact CA-OE1 3.25Å; D167-F189 HydrophobicContact CB-CD2 4.12Å; D167-F189 HydrophobicContact CB-CE2 4.38Å
168	V	95.3	Very high	95.1	Very high	51 Å²	51	46.4 Å²	46.4	31%	0.309	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	152.2	173.4	-77.8	0	0	0	0	109.1	N166 W184 F420	N166-V168 WeakPolarHBondContact OD1-CG2 3.27Å; N166-V168 PolarHBondContact OD1-N 2.9Å; N166-V168 PolarHBondContact OD1-O 3.39Å; N166-V168 VanDerWaalsContact OD1-O 3.07Å; V168-W184 WeakPolarHBondContact CA-O 3.38Å; V168-F420 HydrophobicContact CB-CE2 3.86Å; V168-F420 HydrophobicContact CB-CZ 3.78Å; V168-F420 HydrophobicContact CG2-CD2 4.19Å; V168-F420 HydrophobicContact CG2-CE2 3.21Å; V168-F420 HydrophobicContact CG2-CZ 3.65Å
169	G	94.6	Very high	95.3	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	-176.4	-177.7	0	0	0	0	0	113.7	W184	G169-W184 PolarHBondContact N-O 2.82Å; G169-W184 PolarHBondContact O-N 2.94Å
170	K	93.8	Very high	95.3	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.022	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.4	169.1	-72.7	-178.7	179.1	175.4	0	109.5	W172 P181 C182 F420 G422 N424 D427	K170-W172 HydrophobicContact CB-CE3 4.21Å; K170-W172 HydrophobicContact CB-CH2 3.69Å; K170-W172 HydrophobicContact CB-CZ2 4.28Å; K170-W172 HydrophobicContact CB-CZ3 3.65Å; K170-W172 HydrophobicContact CD-CH2 4.12Å; K170-W172 HydrophobicContact CD-CZ2 4.13Å; K170-P181 HydrophobicContact CD-CB 3.94Å; K170-C182 CarbonylContact C-O 3.57Å; K170-C182 VanDerWaalsContact CA-O 3.29Å; K170-C182 WeakPolarHBondContact CA-O 3.4Å; K170-F420 HydrophobicContact CG-CD1 4.43Å; K170-F420 HydrophobicContact CG-CE1 4.07Å; K170-G422 WeakPolarHBondContact CE-O 3.5Å; K170-G422 PolarHBondContact NZ-O 2.78Å; K170-G422 VanDerWaalsContact NZ-O 3.16Å; K170-N424 PolarHBondContact NZ-O 3.32Å; K170-D427 VanDerWaalsContact CD-OD2 3.31Å; K170-D427 WeakPolarHBondContact CD-OD2 3.27Å; K170-D427 WeakPolarHBondContact CE-OD2 3.34Å; K170-D427 IonicContact NZ-OD1 2.68Å; K170-D427 PolarHBondContact NZ-OD1 3Å; K170-D427 IonicContact NZ-OD2 2.7Å; K170-D427 PolarHBondContact NZ-OD2 3.47Å
171	I	96.2	Very high	95.2	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.7	167.7	-51.5	177.1	0	0	0	107	C182 W184 W274 I293 V333	I171-C182 PolarHBondContact N-O 3.39Å; I171-C182 WeakPolarHBondContact O-CB 3.09Å; I171-C182 PolarHBondContact O-N 2.77Å; I171-W184 HydrophobicContact CD1-CB 3.93Å; I171-W184 HydrophobicContact CD1-CD2 3.82Å; I171-W184 HydrophobicContact CD1-CE3 3.98Å; I171-W184 HydrophobicContact CD1-CG 3.82Å; I171-W184 HydrophobicContact CG1-CB 4.09Å; I171-W184 HydrophobicContact CG1-CG 4.5Å; I171-W274 HydrophobicContact CD1-CB 4.35Å; I171-W274 WeakPolarHBondContact CD1-O 3.42Å; I171-W274 HydrophobicContact CG2-CB 3.88Å; I171-I293 HydrophobicContact CD1-CD1 3.61Å; I171-I293 HydrophobicContact CG1-CD1 3.68Å; I171-I293 HydrophobicContact CG1-CG2 4.27Å; I171-I293 HydrophobicContact CG2-CG2 4.09Å; I171-V333 HydrophobicContact CG2-CG1 3.86Å; I171-V333 HydrophobicContact CG2-CG2 4.19Å
172	W	96	Very high	95.1	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	136.5	179.2	-78.3	-99.7	0	0	0	110.1	K170 T295 Y297 T412 K414 N425 R428	K170-W172 HydrophobicContact CB-CE3 4.21Å; K170-W172 HydrophobicContact CB-CH2 3.69Å; K170-W172 HydrophobicContact CB-CZ2 4.28Å; K170-W172 HydrophobicContact CB-CZ3 3.65Å; K170-W172 HydrophobicContact CD-CH2 4.12Å; K170-W172 HydrophobicContact CD-CZ2 4.13Å; W172-T295 HydrophobicContact CB-CG2 4.15Å; W172-T295 PolarHBondContact N-OG1 3.46Å; W172-T295 WeakPolarHBondContact O-CG2 3.22Å; W172-T295 PolarHBondContact O-OG1 3.17Å; W172-Y297 WeakPolarHBondContact CB-OH 3.2Å; W172-T412 HydrophobicContact CB-CG2 4.05Å; W172-T412 HydrophobicContact CD2-CG2 3.41Å; W172-T412 VanDerWaalsContact CD2-CG2 3.41Å; W172-T412 HydrophobicContact CE3-CG2 3.7Å; W172-T412 HydrophobicContact CG-CG2 3.56Å; W172-T412 HydrophobicContact CZ3-CG2 4.37Å; W172-K414 HydrophobicContact CH2-CB 3.88Å; W172-K414 HydrophobicContact CH2-CG 4.37Å; W172-K414 HydrophobicContact CZ3-CB 3.88Å; W172-N425 PolarHBondContact NE1-OD1 2.79Å; W172-R428 HydrophobicContact CZ2-CB 3.79Å; W172-R428 HydrophobicContact CZ2-CG 3.93Å
173	R	94.6	Very high	95	Very high	64 Å²	64	39.5 Å²	39.5	24%	0.242	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	-164.3	173.5	-60.1	-168.7	-65.7	179.4	-2.9	108.6	I180 C182 Y297 Y331	R173-I180 PolarHBondContact N-O 3.42Å; R173-I180 PolarHBondContact O-N 2.94Å; R173-C182 VanDerWaalsContact CZ-SG 3.52Å; R173-C182 PolarHBondContact NE-SG 2.93Å; R173-C182 PolarHBondContact NH2-SG 3.19Å; R173-Y297 WeakPolarHBondContact O-CE1 3.48Å; R173-Y297 PolarHBondContact O-OH 3.35Å; R173-Y331 HydrophobicContact CB-CE1 4.16Å; R173-Y331 HydrophobicContact CB-CE2 4.02Å; R173-Y331 WeakPolarHBondContact CD-OH 3.39Å; R173-Y331 HydrophobicContact CG-CE2 3.77Å
174	G	93.8	Very high	94.9	Very high	24 Å²	24	39.5 Å²	39.5	25%	0.247	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.5	-135.3	176.8	0	0	0	0	0	111.9	Y331	G174-Y331 VanDerWaalsContact O-CD1 3.27Å; G174-Y331 WeakPolarHBondContact O-CD1 3.42Å
175	S	93.3	Very high	94.9	Very high	47 Å²	47	41.4 Å²	41.4	33%	0.329	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	167.2	179.6	69.9	0	0	0	0	111.4	N177 C178 P179 Y297	S175-N177 PolarHBondContact O-N 2.92Å; S175-N177 VanDerWaalsContact O-N 3.17Å; S175-C178 PolarHBondContact N-O 3.31Å; S175-C178 CarbonylContact O-C 3.55Å; S175-C178 PolarHBondContact O-N 3.43Å; S175-C178 PolarHBondContact OG-N 2.83Å; S175-P179 VanDerWaalsContact O-N 3.09Å; S175-Y297 WeakPolarHBondContact O-CE1 3.28Å
176	S	90.7	Very high	94.9	Very high	33 Å²	33	40 Å²	40	23%	0.231	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.5	178.7	50.7	0	0	0	0	113.2	Y297 T409	S176-Y297 VanDerWaalsContact N-CD1 3.29Å; S176-T409 WeakPolarHBondContact CB-OG1 2.98Å
177	N	92.5	Very high	95	Very high	154 Å²	154	38.3 Å²	38.3	82%	0.824	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-19.1	178.2	-66.1	-26.8	0	0	0	113.5	S175	S175-N177 PolarHBondContact O-N 2.92Å; S175-N177 VanDerWaalsContact O-N 3.17Å
178	C	93.8	Very high	95.1	Very high	77 Å²	77	35.8 Å²	35.8	52%	0.52	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	75.6	176.5	-167.7	0	0	0	0	109.5	S175 I180	S175-C178 PolarHBondContact N-O 3.31Å; S175-C178 CarbonylContact O-C 3.55Å; S175-C178 PolarHBondContact O-N 3.43Å; S175-C178 PolarHBondContact OG-N 2.83Å; C178-I180 PolarHBondContact O-N 2.93Å
179	P	94.3	Very high	95.2	Very high	18 Å²	18	34.2 Å²	34.2	12%	0.117	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	121.8	173.9	-23.6	35.8	0	0	0	110	S175 P181 Y297 N425	S175-P179 VanDerWaalsContact O-N 3.09Å; P179-P181 WeakPolarHBondContact O-CD 3.33Å; P179-Y297 WeakPolarHBondContact CA-OH 3.1Å; P179-Y297 HydrophobicContact CB-CE2 4.49Å; P179-Y297 WeakPolarHBondContact CB-OH 2.73Å; P179-N425 PolarHBondContact O-ND2 2.73Å
180	I	95.2	Very high	95.4	Very high	86 Å²	86	39.1 Å²	39.1	44%	0.441	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	107.2	-179.3	-60.3	174.6	0	0	0	108.5	R173 C178	R173-I180 PolarHBondContact N-O 3.42Å; R173-I180 PolarHBondContact O-N 2.94Å; C178-I180 PolarHBondContact O-N 2.93Å
181	P	94.5	Very high	95.5	Very high	10 Å²	10	44.9 Å²	44.9	7%	0.065	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	139.5	175.1	29.5	-34.9	0	0	0	110.2	K170 P179 L423 N424	K170-P181 HydrophobicContact CD-CB 3.94Å; P179-P181 WeakPolarHBondContact O-CD 3.33Å; P181-L423 HydrophobicContact CG-CB 4.3Å; P181-N424 WeakPolarHBondContact CG-O 3.39Å
182	C	94.5	Very high	95.5	Very high	23 Å²	23	45.9 Å²	45.9	16%	0.155	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.8	174.1	-64.3	0	0	0	0	109.1	K170 I171 R173	K170-C182 CarbonylContact C-O 3.57Å; K170-C182 VanDerWaalsContact CA-O 3.29Å; K170-C182 WeakPolarHBondContact CA-O 3.4Å; I171-C182 PolarHBondContact N-O 3.39Å; I171-C182 WeakPolarHBondContact O-CB 3.09Å; I171-C182 PolarHBondContact O-N 2.77Å; R173-C182 VanDerWaalsContact CZ-SG 3.52Å; R173-C182 PolarHBondContact NE-SG 2.93Å; R173-C182 PolarHBondContact NH2-SG 3.19Å
183	F	94.1	Very high	95.6	Very high	99 Å²	99	45.8 Å²	45.8	43%	0.434	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	144.3	175.7	-69.8	-68.6	0	0	0	110.9	F420 L423	F183-F420 AromaticContact CD1-CD1 3.92Å; F183-F420 HydrophobicContact CD1-CD1 3.92Å; F183-F420 HydrophobicContact CD1-CE1 4.04Å; F183-F420 HydrophobicContact CE1-CB 4.29Å; F183-F420 AromaticContact CE1-CD1 3.46Å; F183-F420 HydrophobicContact CE1-CD1 3.46Å; F183-F420 VanDerWaalsContact CE1-CD1 3.46Å; F183-F420 HydrophobicContact CE1-CE1 4.06Å; F183-F420 HydrophobicContact CE1-CG 4.09Å; F183-L423 HydrophobicContact CD2-CD1 4.4Å; F183-L423 HydrophobicContact CD2-CD2 3.33Å; F183-L423 HydrophobicContact CD2-CG 3.97Å; F183-L423 HydrophobicContact CE1-CD2 4.44Å; F183-L423 HydrophobicContact CE2-CD1 4.19Å; F183-L423 HydrophobicContact CE2-CD2 3.22Å; F183-L423 HydrophobicContact CE2-CG 3.47Å; F183-L423 VanDerWaalsContact CE2-CG 3.47Å; F183-L423 HydrophobicContact CG-CD2 4.01Å; F183-L423 HydrophobicContact CZ-CD2 3.81Å; F183-L423 HydrophobicContact CZ-CG 4.17Å
184	W	97	Very high	95.8	Very high	9 Å²	9	43 Å²	43	3%	0.034	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	125.5	170.5	-164.8	-89.9	0	0	0	109.7	V168 G169 I171 F186 W251 S254 V275	V168-W184 WeakPolarHBondContact CA-O 3.38Å; G169-W184 PolarHBondContact N-O 2.82Å; G169-W184 PolarHBondContact O-N 2.94Å; I171-W184 HydrophobicContact CD1-CB 3.93Å; I171-W184 HydrophobicContact CD1-CD2 3.82Å; I171-W184 HydrophobicContact CD1-CE3 3.98Å; I171-W184 HydrophobicContact CD1-CG 3.82Å; I171-W184 HydrophobicContact CG1-CB 4.09Å; I171-W184 HydrophobicContact CG1-CG 4.5Å; W184-F186 AromaticContact CD1-CD1 3.45Å; W184-F186 VanDerWaalsContact CD1-CD1 3.45Å; W184-F186 AromaticContact CD1-CE1 3.55Å; W184-F186 HydrophobicContact CG-CE1 4.33Å; W184-W251 HydrophobicContact CH2-CB 3.69Å; W184-W251 HydrophobicContact CZ3-CB 4.03Å; W184-W251 WeakPolarHBondContact CZ3-O 3.42Å; W184-S254 PolarHBondContact NE1-OG 3.44Å; W184-V275 HydrophobicContact CH2-CB 4.23Å; W184-V275 HydrophobicContact CH2-CG1 4.04Å; W184-V275 HydrophobicContact CH2-CG2 4.18Å; W184-V275 HydrophobicContact CZ2-CG1 4.49Å
185	S	97.4	Very high	96	Very high	40 Å²	40	44 Å²	44	28%	0.28	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	108.8	170	175.4	0	0	0	0	108.9	T252 G253 S254	S185-T252 PolarHBondContact N-O 3.39Å; S185-G253 CarbonylContact O-C 3.44Å; S185-G253 WeakPolarHBondContact O-CA 3.07Å; S185-S254 PolarHBondContact O-N 3.05Å
186	F	98.5	Very high	96.2	Very high	5 Å²	5	41.8 Å²	41.8	2%	0.022	23%	0.227	C	C	.	.			trans	-70.4	-52.6	172.1	-57.6	-57.1	0	0	0	109.2	D167 W184 Q188 T281 T282 I293	D167-F186 WeakPolarHBondContact O-CA 3.14Å; D167-F186 WeakPolarHBondContact O-CB 3.25Å; D167-F186 PolarHBondContact O-N 2.68Å; W184-F186 AromaticContact CD1-CD1 3.45Å; W184-F186 VanDerWaalsContact CD1-CD1 3.45Å; W184-F186 AromaticContact CD1-CE1 3.55Å; W184-F186 HydrophobicContact CG-CE1 4.33Å; F186-Q188 VanDerWaalsContact C-N 3.34Å; F186-Q188 VanDerWaalsContact CB-OE1 3.28Å; F186-Q188 PolarHBondContact O-N 3.47Å; F186-T281 HydrophobicContact CD1-CG2 3.79Å; F186-T281 HydrophobicContact CD2-CG2 4.44Å; F186-T281 HydrophobicContact CE1-CG2 3.52Å; F186-T281 HydrophobicContact CE2-CG2 4.17Å; F186-T281 HydrophobicContact CG-CG2 4.27Å; F186-T281 HydrophobicContact CZ-CG2 3.72Å; F186-T282 WeakPolarHBondContact CA-OG1 3.39Å; F186-T282 WeakPolarHBondContact O-CG2 3.37Å; F186-T282 PolarHBondContact O-OG1 2.89Å; F186-I293 HydrophobicContact CE1-CD1 3.68Å; F186-I293 HydrophobicContact CZ-CD1 3.95Å
187	G	98.1	Very high	96.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.			trans	62.7	35.7	174.5	0	0	0	0	0	113.5	D167 F189 E190 I193	D167-G187 PolarHBondContact O-N 3.35Å; G187-F189 PolarHBondContact O-N 2.85Å; G187-E190 WeakPolarHBondContact O-CB 3.48Å; G187-E190 WeakPolarHBondContact O-CG 3.23Å; G187-E190 PolarHBondContact O-N 3Å; G187-E190 VanDerWaalsContact O-N 3.09Å; G187-I193 WeakPolarHBondContact O-CG1 3.39Å
188	Q	98.6	Very high	96.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.1	-177.7	62.9	-88.3	19.2	0	0	114.5	F15 V164 N166 D167 F186 T282 R285 C286	F15-Q188 WeakPolarHBondContact CE1-O 3.4Å; V164-Q188 PolarHBondContact O-NE2 3.02Å; N166-Q188 PolarHBondContact O-NE2 3.22Å; D167-Q188 VanDerWaalsContact CA-OE1 3.25Å; F186-Q188 VanDerWaalsContact C-N 3.34Å; F186-Q188 VanDerWaalsContact CB-OE1 3.28Å; F186-Q188 PolarHBondContact O-N 3.47Å; Q188-T282 HydrophobicContact CB-CG2 4.22Å; Q188-R285 HydrophobicContact CG-CB 4.23Å; Q188-C286 HydrophobicContact CB-CB 3.82Å
189	F	98.4	Very high	96.9	Very high	18 Å²	18	30.9 Å²	30.9	8%	0.079	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-7.5	-179.3	-54.4	-52.1	0	0	0	114.2	D14 F15 N16 L165 D167 G187	D14-F189 HydrophobicContact CB-CB 4.16Å; D14-F189 HydrophobicContact CB-CD1 4.13Å; D14-F189 HydrophobicContact CB-CD2 3.79Å; D14-F189 HydrophobicContact CB-CE2 4.17Å; D14-F189 HydrophobicContact CB-CG 3.76Å; D14-F189 WeakPolarHBondContact O-CB 3.22Å; F15-F189 AromaticContact CD1-CD1 3.76Å; F15-F189 HydrophobicContact CD1-CD1 3.76Å; F15-F189 HydrophobicContact CD1-CE1 4.47Å; F15-F189 AromaticContact CD2-CD1 3.92Å; F15-F189 HydrophobicContact CD2-CD1 3.92Å; F15-F189 HydrophobicContact CD2-CE1 4.07Å; F15-F189 AromaticContact CE1-CD1 3.67Å; F15-F189 HydrophobicContact CE1-CD1 3.67Å; F15-F189 HydrophobicContact CE1-CE1 4.06Å; F15-F189 AromaticContact CE2-CD1 3.85Å; F15-F189 HydrophobicContact CE2-CD1 3.85Å; F15-F189 AromaticContact CE2-CE1 3.62Å; F15-F189 HydrophobicContact CE2-CE1 3.62Å; F15-F189 AromaticContact CG-CD1 3.88Å; F15-F189 HydrophobicContact CG-CD1 3.88Å; F15-F189 HydrophobicContact CG-CE1 4.48Å; F15-F189 AromaticContact CZ-CD1 3.72Å; F15-F189 HydrophobicContact CZ-CD1 3.72Å; F15-F189 AromaticContact CZ-CE1 3.61Å; F15-F189 HydrophobicContact CZ-CE1 3.61Å; N16-F189 WeakPolarHBondContact CB-O 3.5Å; N16-F189 PolarHBondContact N-O 2.92Å; L165-F189 HydrophobicContact CD2-CZ 4.04Å; L165-F189 VanDerWaalsContact O-CE2 3.28Å; L165-F189 WeakPolarHBondContact O-CE2 3.37Å; D167-F189 HydrophobicContact CB-CD2 4.12Å; D167-F189 HydrophobicContact CB-CE2 4.38Å; G187-F189 PolarHBondContact O-N 2.85Å
190	E	97.9	Very high	97	Very high	104 Å²	104	30 Å²	30	49%	0.486	16%	0.158	S	C	.	.	S	Bend	trans	-64	162.4	-178.9	-67.9	-77.2	-173.7	0	0	111.9	G187 G192 I193 T255	G187-E190 WeakPolarHBondContact O-CB 3.48Å; G187-E190 WeakPolarHBondContact O-CG 3.23Å; G187-E190 PolarHBondContact O-N 3Å; G187-E190 VanDerWaalsContact O-N 3.09Å; E190-G192 PolarHBondContact O-N 2.91Å; E190-I193 HydrophobicContact CB-CG1 3.83Å; E190-I193 WeakPolarHBondContact O-CB 3.46Å; E190-I193 PolarHBondContact O-N 3.27Å; E190-T255 HydrophobicContact CB-CG2 4.15Å; E190-T255 HydrophobicContact CG-CG2 4.02Å
191	E	96.6	Very high	97	Very high	127 Å²	127	26 Å²	26	59%	0.593	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	128.9	-177.6	-174	179.4	170	0	0	112.6	I193 Q259	E191-I193 PolarHBondContact O-N 3.26Å; E191-Q259 PolarHBondContact O-NE2 2.93Å
192	G	96.4	Very high	97	Very high	24 Å²	24	29.3 Å²	29.3	25%	0.247	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-3.1	177.1	0	0	0	0	0	115.5	E190 E195 A196	E190-G192 PolarHBondContact O-N 2.91Å; G192-E195 VanDerWaalsContact CA-OE2 3.25Å; G192-E195 WeakPolarHBondContact CA-OE2 3.28Å; G192-A196 VanDerWaalsContact O-CB 3.31Å; G192-A196 WeakPolarHBondContact O-CB 3.27Å; G192-A196 PolarHBondContact O-N 3Å
193	I	98.4	Very high	96.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-73.1	-40.4	-176	-61.4	-59.3	0	0	0	111.9	G187 E190 E191 E195 A196 C197 T255 L258 Q259 T282	G187-I193 WeakPolarHBondContact O-CG1 3.39Å; E190-I193 HydrophobicContact CB-CG1 3.83Å; E190-I193 WeakPolarHBondContact O-CB 3.46Å; E190-I193 PolarHBondContact O-N 3.27Å; E191-I193 PolarHBondContact O-N 3.26Å; I193-E195 VanDerWaalsContact C-N 3.33Å; I193-E195 PolarHBondContact O-N 3.47Å; I193-A196 PolarHBondContact O-N 2.99Å; I193-A196 VanDerWaalsContact O-N 3.16Å; I193-C197 WeakPolarHBondContact O-CB 3.39Å; I193-C197 PolarHBondContact O-N 2.94Å; I193-C197 PolarHBondContact O-SG 3.15Å; I193-T255 HydrophobicContact CD1-CG2 4.15Å; I193-T255 HydrophobicContact CG1-CG2 4.25Å; I193-L258 HydrophobicContact CD1-CB 4.1Å; I193-L258 HydrophobicContact CG2-CD1 4.27Å; I193-Q259 HydrophobicContact CD1-CG 3.78Å; I193-T282 HydrophobicContact CG2-CG2 4.12Å
194	L	98.3	Very high	96.9	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-56.5	-48.8	174.5	177.8	59.1	0	0	0	111.2	F15 A17 V27 Y141 L143 A196 C197 I198	F15-L194 HydrophobicContact CD1-CB 4.03Å; F15-L194 HydrophobicContact CD1-CD1 4.5Å; F15-L194 HydrophobicContact CD1-CD2 4.07Å; F15-L194 HydrophobicContact CD1-CG 4.43Å; F15-L194 HydrophobicContact CE1-CB 4.19Å; F15-L194 HydrophobicContact CE1-CD1 4.08Å; F15-L194 HydrophobicContact CE1-CD2 4.45Å; F15-L194 HydrophobicContact CE1-CG 4.47Å; F15-L194 HydrophobicContact CG-CD2 4.49Å; A17-L194 HydrophobicContact CB-CD2 4.23Å; V27-L194 HydrophobicContact CG1-CD2 4.3Å; V27-L194 HydrophobicContact CG2-CD2 3.72Å; Y141-L194 HydrophobicContact CD1-CD1 4.22Å; Y141-L194 HydrophobicContact CD1-CD2 3.93Å; Y141-L194 HydrophobicContact CD1-CG 3.97Å; Y141-L194 HydrophobicContact CD2-CD2 3.75Å; Y141-L194 HydrophobicContact CE1-CD2 4.23Å; Y141-L194 HydrophobicContact CE1-CG 4.06Å; Y141-L194 HydrophobicContact CE2-CD2 4.05Å; Y141-L194 HydrophobicContact CG-CD2 3.68Å; Y141-L194 HydrophobicContact CG-CG 4.25Å; L143-L194 HydrophobicContact CD2-CD1 4.21Å; L194-A196 VanDerWaalsContact C-N 3.34Å; L194-A196 PolarHBondContact O-N 3.23Å; L194-C197 PolarHBondContact O-N 3.11Å; L194-I198 HydrophobicContact CD1-CG1 4.34Å; L194-I198 WeakPolarHBondContact O-CG1 3.38Å; L194-I198 PolarHBondContact O-N 2.76Å
195	E	97.1	Very high	96.6	Very high	46 Å²	46	33.3 Å²	33.3	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-43	176.4	-67.2	74	-170.7	0	0	111.6	R20 Y141 G192 I193 I198 S199	R20-E195 IonicContact CZ-OE1 2.61Å; R20-E195 IonicContact CZ-OE2 2.65Å; R20-E195 IonicContact NH1-OE1 3.74Å; R20-E195 PolarHBondContact NH1-OE1 3.17Å; R20-E195 IonicContact NH2-OE1 3.08Å; R20-E195 PolarHBondContact NH2-OE1 3.04Å; R20-E195 IonicContact NH2-OE2 2.83Å; R20-E195 PolarHBondContact NH2-OE2 2.65Å; Y141-E195 PolarHBondContact OH-OE1 3.13Å; G192-E195 VanDerWaalsContact CA-OE2 3.25Å; G192-E195 WeakPolarHBondContact CA-OE2 3.28Å; I193-E195 VanDerWaalsContact C-N 3.33Å; I193-E195 PolarHBondContact O-N 3.47Å; E195-I198 PolarHBondContact O-N 3.34Å; E195-S199 VanDerWaalsContact O-CB 3.22Å; E195-S199 WeakPolarHBondContact O-CB 3.09Å; E195-S199 PolarHBondContact O-N 3.11Å
196	A	98	Very high	96.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-45.8	177.9	0	0	0	0	0	111.4	G192 I193 L194 S199 V200 L258 A262	G192-A196 VanDerWaalsContact O-CB 3.31Å; G192-A196 WeakPolarHBondContact O-CB 3.27Å; G192-A196 PolarHBondContact O-N 3Å; I193-A196 PolarHBondContact O-N 2.99Å; I193-A196 VanDerWaalsContact O-N 3.16Å; L194-A196 VanDerWaalsContact C-N 3.34Å; L194-A196 PolarHBondContact O-N 3.23Å; A196-S199 WeakPolarHBondContact O-CB 3.2Å; A196-S199 PolarHBondContact O-N 3.34Å; A196-S199 VanDerWaalsContact O-N 3.17Å; A196-V200 WeakPolarHBondContact O-CG2 3.44Å; A196-V200 PolarHBondContact O-N 2.95Å; A196-L258 HydrophobicContact CB-CB 4.04Å; A196-A262 HydrophobicContact CB-CB 3.73Å
197	C	98.4	Very high	96.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-45.4	177	-66.5	0	0	0	0	111.9	I193 L194 S199 V200 L201 I283 C286	I193-C197 WeakPolarHBondContact O-CB 3.39Å; I193-C197 PolarHBondContact O-N 2.94Å; I193-C197 PolarHBondContact O-SG 3.15Å; L194-C197 PolarHBondContact O-N 3.11Å; C197-S199 VanDerWaalsContact C-N 3.3Å; C197-S199 PolarHBondContact O-N 3.31Å; C197-V200 PolarHBondContact O-N 2.84Å; C197-L201 PolarHBondContact O-N 2.9Å; C197-I283 HydrophobicContact CB-CG2 4.08Å; C197-C286 HydrophobicContact CB-CB 4.16Å
198	I	97.3	Very high	96.3	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-65.2	-35.6	174.7	-63.9	-51.2	0	0	0	111.2	C113 Y141 L194 E195 L201 N202 I287	C113-I198 HydrophobicContact CB-CG2 4.41Å; Y141-I198 HydrophobicContact CD1-CG1 4.07Å; Y141-I198 HydrophobicContact CE1-CG1 4.04Å; L194-I198 HydrophobicContact CD1-CG1 4.34Å; L194-I198 WeakPolarHBondContact O-CG1 3.38Å; L194-I198 PolarHBondContact O-N 2.76Å; E195-I198 PolarHBondContact O-N 3.34Å; I198-L201 PolarHBondContact O-N 3.47Å; I198-N202 WeakPolarHBondContact O-CB 3.13Å; I198-N202 PolarHBondContact O-N 3.09Å; I198-N202 PolarHBondContact O-ND2 3.07Å; I198-I287 HydrophobicContact CD1-CG2 4.24Å
199	S	95.6	Very high	96.1	Very high	28 Å²	28	39.4 Å²	39.4	20%	0.196	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-42.4	175.6	-166.7	0	0	0	0	112.1	E195 A196 C197 L201 N202 R203	E195-S199 VanDerWaalsContact O-CB 3.22Å; E195-S199 WeakPolarHBondContact O-CB 3.09Å; E195-S199 PolarHBondContact O-N 3.11Å; A196-S199 WeakPolarHBondContact O-CB 3.2Å; A196-S199 PolarHBondContact O-N 3.34Å; A196-S199 VanDerWaalsContact O-N 3.17Å; C197-S199 VanDerWaalsContact C-N 3.3Å; C197-S199 PolarHBondContact O-N 3.31Å; S199-L201 VanDerWaalsContact C-N 3.34Å; S199-L201 PolarHBondContact O-N 2.85Å; S199-N202 PolarHBondContact O-N 2.92Å; S199-R203 WeakPolarHBondContact O-CG 3.31Å; S199-R203 PolarHBondContact O-N 2.73Å
200	V	96.9	Very high	96	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.2	-48	173.6	175.4	0	0	0	0	110.3	A196 C197 N202 R203 S204 L221 M224 V233 L258 F261 I283	A196-V200 WeakPolarHBondContact O-CG2 3.44Å; A196-V200 PolarHBondContact O-N 2.95Å; C197-V200 PolarHBondContact O-N 2.84Å; V200-N202 VanDerWaalsContact C-N 3.32Å; V200-N202 PolarHBondContact O-N 3.44Å; V200-R203 PolarHBondContact O-N 2.81Å; V200-S204 PolarHBondContact O-N 3.31Å; V200-S204 VanDerWaalsContact O-N 3.13Å; V200-L221 HydrophobicContact CG1-CD2 3.94Å; V200-M224 HydrophobicContact CG1-CB 3.75Å; V200-M224 HydrophobicContact CG1-CE 4.34Å; V200-M224 HydrophobicContact CG1-CG 4.3Å; V200-V233 HydrophobicContact CG1-CG2 4Å; V200-V233 HydrophobicContact CG2-CG2 3.72Å; V200-L258 HydrophobicContact CG2-CD2 4.26Å; V200-F261 HydrophobicContact CG2-CD1 3.89Å; V200-F261 HydrophobicContact CG2-CE1 3.75Å; V200-I283 HydrophobicContact CB-CD1 4.19Å; V200-I283 HydrophobicContact CG1-CD1 3.94Å; V200-I283 HydrophobicContact CG2-CD1 4.11Å
201	L	95.5	Very high	96	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-37.3	177.6	-168.6	61	0	0	0	112.2	C197 I198 S199 R203 S204 L206 R211 V217 L221	C197-L201 PolarHBondContact O-N 2.9Å; I198-L201 PolarHBondContact O-N 3.47Å; S199-L201 VanDerWaalsContact C-N 3.34Å; S199-L201 PolarHBondContact O-N 2.85Å; L201-R203 VanDerWaalsContact C-N 3.32Å; L201-R203 PolarHBondContact O-N 3.12Å; L201-S204 WeakPolarHBondContact O-CB 3.49Å; L201-S204 PolarHBondContact O-N 2.94Å; L201-S204 PolarHBondContact O-OG 3.34Å; L201-L206 HydrophobicContact CD1-CD2 4.12Å; L201-R211 HydrophobicContact CD1-CG 4.48Å; L201-R211 HydrophobicContact CD2-CG 4.2Å; L201-R211 HydrophobicContact CG-CG 4.37Å; L201-R211 PolarHBondContact O-NH2 3.16Å; L201-R211 VanDerWaalsContact O-NH2 3.09Å; L201-V217 HydrophobicContact CD1-CG1 4.2Å; L201-L221 HydrophobicContact CD1-CD2 4.25Å; L201-L221 HydrophobicContact CD1-CG 4.5Å
202	N	94.3	Very high	96	Very high	79 Å²	79	32.8 Å²	32.8	42%	0.422	20%	0.196	S	C	.	.	H	α-helix	trans	-65.6	-30.8	175.2	-75.6	-18.8	0	0	0	113.7	I198 S199 V200 R211	I198-N202 WeakPolarHBondContact O-CB 3.13Å; I198-N202 PolarHBondContact O-N 3.09Å; I198-N202 PolarHBondContact O-ND2 3.07Å; S199-N202 PolarHBondContact O-N 2.92Å; V200-N202 VanDerWaalsContact C-N 3.32Å; V200-N202 PolarHBondContact O-N 3.44Å; N202-R211 PolarHBondContact OD1-NH1 2.8Å
203	R	93.2	Very high	96	Very high	100 Å²	100	32.6 Å²	32.6	38%	0.377	19%	0.189	S	C	.	.	H	α-helix	trans	-83.5	-16.3	177.1	-70.3	175.1	-176.2	173.5	3.7	113.3	S199 V200 L201 M224 F261 A262	S199-R203 WeakPolarHBondContact O-CG 3.31Å; S199-R203 PolarHBondContact O-N 2.73Å; V200-R203 PolarHBondContact O-N 2.81Å; L201-R203 VanDerWaalsContact C-N 3.32Å; L201-R203 PolarHBondContact O-N 3.12Å; R203-M224 HydrophobicContact CB-CE 3.85Å; R203-F261 VanDerWaalsContact NH1-CZ 3.28Å; R203-F261 PolarHBondContact NH1-O 3.15Å; R203-A262 PolarHBondContact NH2-O 2.75Å
204	S	92.9	Very high	96	Very high	12 Å²	12	32.6 Å²	32.6	8%	0.084	19%	0.189	C	C	.	.	S	Bend	trans	-65.4	157.4	173.3	79.1	0	0	0	0	112	V200 L201 L206	V200-S204 PolarHBondContact O-N 3.31Å; V200-S204 VanDerWaalsContact O-N 3.13Å; L201-S204 WeakPolarHBondContact O-CB 3.49Å; L201-S204 PolarHBondContact O-N 2.94Å; L201-S204 PolarHBondContact O-OG 3.34Å; S204-L206 PolarHBondContact O-N 2.84Å; S204-L206 VanDerWaalsContact O-N 3.15Å; S204-L206 VanDerWaalsContact OG-CB 3.29Å; S204-L206 WeakPolarHBondContact OG-CB 3.48Å; S204-L206 PolarHBondContact OG-N 3.01Å
205	A	91.7	Very high	95.8	Very high	103 Å²	103	33.1 Å²	33.1	85%	0.851	19%	0.192	S	C	*	.	S	Bend	trans	-71.6	1.9	171.6	0	0	0	0	0	113.5	P207	A205-P207 WeakPolarHBondContact O-CD 3.32Å
206	L	94.3	Very high	95.8	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.089	19%	0.193	C	C	.	.			trans	-75.1	114.6	-175.2	-174.1	64.2	0	0	0	111.7	L201 S204 L210 R211 F216 V217 A220	L201-L206 HydrophobicContact CD1-CD2 4.12Å; S204-L206 PolarHBondContact O-N 2.84Å; S204-L206 VanDerWaalsContact O-N 3.15Å; S204-L206 VanDerWaalsContact OG-CB 3.29Å; S204-L206 WeakPolarHBondContact OG-CB 3.48Å; S204-L206 PolarHBondContact OG-N 3.01Å; L206-L210 HydrophobicContact CD1-CB 3.6Å; L206-L210 HydrophobicContact CD1-CD1 4.15Å; L206-L210 HydrophobicContact CG-CB 4.29Å; L206-R211 HydrophobicContact CD2-CG 3.69Å; L206-R211 HydrophobicContact CG-CG 4Å; L206-R211 PolarHBondContact O-NE 2.86Å; L206-R211 PolarHBondContact O-NH2 3.16Å; L206-F216 HydrophobicContact CD1-CB 3.81Å; L206-F216 HydrophobicContact CD2-CB 4.44Å; L206-V217 HydrophobicContact CD2-CB 4.49Å; L206-V217 HydrophobicContact CD2-CG2 3.97Å; L206-A220 HydrophobicContact CB-CB 3.77Å; L206-A220 HydrophobicContact CD2-CB 3.85Å; L206-A220 HydrophobicContact CG-CB 4.28Å
207	P	95.6	Very high	95.7	Very high	73 Å²	73	33.6 Å²	33.6	47%	0.474	19%	0.193	S	C	.	.			trans	-60.1	142.9	175.4	-23	35.3	0	0	0	111.9	A205 P209 L210	A205-P207 WeakPolarHBondContact O-CD 3.32Å; P207-P209 VanDerWaalsContact C-CD 3.43Å; P207-L210 HydrophobicContact CG-CD1 4.47Å; P207-L210 PolarHBondContact O-N 3.02Å
208	F	96.3	Very high	95.6	Very high	41 Å²	41	34 Å²	34	18%	0.18	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-49.1	-44.8	-179.4	-80.3	-85.3	0	0	0	114.8	I57 G58 T67 I110 L210 R211	I57-F208 HydrophobicContact CD1-CD1 3.83Å; I57-F208 HydrophobicContact CD1-CE1 3.88Å; I57-F208 HydrophobicContact CG1-CD1 3.58Å; I57-F208 HydrophobicContact CG1-CE1 3.53Å; G58-F208 VanDerWaalsContact CA-CZ 3.42Å; T67-F208 HydrophobicContact CG2-CB 3.7Å; I110-F208 VanDerWaalsContact CG2-O 3.22Å; I110-F208 WeakPolarHBondContact CG2-O 3.28Å; F208-L210 PolarHBondContact O-N 3.31Å; F208-R211 WeakPolarHBondContact O-CB 3.48Å; F208-R211 PolarHBondContact O-N 3.07Å
209	P	95.9	Very high	95.5	Very high	43 Å²	43	38 Å²	38	28%	0.279	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-57.8	-33.4	179.6	-25.9	35.5	0	0	0	113.9	N65 T67 P207 R211 S212	N65-P209 HydrophobicContact CB-CG 3.72Å; N65-P209 WeakPolarHBondContact O-CG 3.38Å; T67-P209 HydrophobicContact CG2-CG 4.15Å; P207-P209 VanDerWaalsContact C-CD 3.43Å; P209-R211 VanDerWaalsContact C-N 3.28Å; P209-R211 PolarHBondContact O-N 2.92Å; P209-S212 PolarHBondContact O-OG 2.72Å
210	L	96.1	Very high	95.4	Very high	71 Å²	71	37.5 Å²	37.5	37%	0.372	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-78.3	-12	-179.5	-62.4	-173.7	0	0	0	113.1	L206 P207 F208 S212 N213 F216	L206-L210 HydrophobicContact CD1-CB 3.6Å; L206-L210 HydrophobicContact CD1-CD1 4.15Å; L206-L210 HydrophobicContact CG-CB 4.29Å; P207-L210 HydrophobicContact CG-CD1 4.47Å; P207-L210 PolarHBondContact O-N 3.02Å; F208-L210 PolarHBondContact O-N 3.31Å; L210-S212 PolarHBondContact O-N 2.71Å; L210-N213 PolarHBondContact O-N 3.46Å; L210-N213 VanDerWaalsContact O-N 3.15Å; L210-F216 HydrophobicContact CB-CB 4.39Å; L210-F216 HydrophobicContact CB-CD2 4.11Å; L210-F216 HydrophobicContact CB-CG 4.45Å; L210-F216 HydrophobicContact CD2-CD2 4.11Å; L210-F216 HydrophobicContact CD2-CE2 4.08Å
211	R	97.4	Very high	95.3	Very high	5 Å²	5	37.5 Å²	37.5	2%	0.019	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-74.7	-0.4	174.3	-57.3	174.1	-170.7	-168.6	6.4	113.5	I110 V111 L201 N202 L206 F208 P209 N213 V217	I110-R211 HydrophobicContact CG2-CB 4.01Å; V111-R211 PolarHBondContact N-O 3.37Å; L201-R211 HydrophobicContact CD1-CG 4.48Å; L201-R211 HydrophobicContact CD2-CG 4.2Å; L201-R211 HydrophobicContact CG-CG 4.37Å; L201-R211 PolarHBondContact O-NH2 3.16Å; L201-R211 VanDerWaalsContact O-NH2 3.09Å; N202-R211 PolarHBondContact OD1-NH1 2.8Å; L206-R211 HydrophobicContact CD2-CG 3.69Å; L206-R211 HydrophobicContact CG-CG 4Å; L206-R211 PolarHBondContact O-NE 2.86Å; L206-R211 PolarHBondContact O-NH2 3.16Å; F208-R211 WeakPolarHBondContact O-CB 3.48Å; F208-R211 PolarHBondContact O-N 3.07Å; P209-R211 VanDerWaalsContact C-N 3.28Å; P209-R211 PolarHBondContact O-N 2.92Å; R211-N213 VanDerWaalsContact C-N 3.28Å; R211-V217 HydrophobicContact CB-CG2 4.19Å
212	S	97	Very high	95.3	Very high	34 Å²	34	38.4 Å²	38.4	24%	0.238	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-73	-19.9	165.6	56.9	0	0	0	0	112.8	R30 N108 P209 L210	R30-S212 PolarHBondContact NH1-O 3.33Å; N108-S212 WeakPolarHBondContact O-CB 3.2Å; P209-S212 PolarHBondContact O-OG 2.72Å; L210-S212 PolarHBondContact O-N 2.71Å
213	N	96.9	Very high	95.2	Very high	19 Å²	19	39.1 Å²	39.1	10%	0.102	22%	0.218	C	C	.	.	S	Bend	trans	-111	120.2	-174.7	-176.5	-27.2	0	0	0	110.5	L210 R211 I215 F216 V217	L210-N213 PolarHBondContact O-N 3.46Å; L210-N213 VanDerWaalsContact O-N 3.15Å; R211-N213 VanDerWaalsContact C-N 3.28Å; N213-I215 PolarHBondContact O-N 3.02Å; N213-I215 VanDerWaalsContact OD1-CB 3.28Å; N213-I215 WeakPolarHBondContact OD1-CB 3.36Å; N213-I215 WeakPolarHBondContact OD1-CG1 3.18Å; N213-I215 PolarHBondContact OD1-N 2.94Å; N213-F216 HydrophobicContact CB-CD2 3.75Å; N213-F216 HydrophobicContact CB-CE2 4.3Å; N213-F216 PolarHBondContact O-N 3.43Å; N213-V217 WeakPolarHBondContact O-CG2 3.41Å; N213-V217 PolarHBondContact O-N 3.46Å
214	P	97.4	Very high	95.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.2	-28.4	-176.9	27.3	-35.1	0	0	0	112.8	F144 V152 V153 V217 V218 I289 M339	F144-P214 HydrophobicContact CD1-CB 4.47Å; F144-P214 HydrophobicContact CE1-CB 3.89Å; F144-P214 HydrophobicContact CE1-CG 4.26Å; F144-P214 HydrophobicContact CZ-CB 3.99Å; V152-P214 HydrophobicContact CB-CG 3.96Å; V152-P214 HydrophobicContact CG1-CG 3.57Å; V153-P214 HydrophobicContact CG1-CB 3.69Å; V153-P214 HydrophobicContact CG1-CG 3.78Å; P214-V217 PolarHBondContact O-N 2.73Å; P214-V218 WeakPolarHBondContact O-CG1 3.36Å; P214-V218 WeakPolarHBondContact O-CG2 3Å; P214-V218 PolarHBondContact O-N 2.77Å; P214-I289 HydrophobicContact CB-CD1 4.08Å; P214-M339 HydrophobicContact CB-CE 4.32Å; P214-M339 HydrophobicContact CB-SD 4.16Å; P214-M339 HydrophobicContact CG-CB 4.11Å; P214-M339 HydrophobicContact CG-SD 4.18Å
215	I	94.9	Very high	95.4	Very high	15 Å²	15	34.2 Å²	34.2	8%	0.077	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-48.3	179.1	-59.6	167.7	0	0	0	110.5	N213 V217 V218 R219 M339 Y373	N213-I215 PolarHBondContact O-N 3.02Å; N213-I215 VanDerWaalsContact OD1-CB 3.28Å; N213-I215 WeakPolarHBondContact OD1-CB 3.36Å; N213-I215 WeakPolarHBondContact OD1-CG1 3.18Å; N213-I215 PolarHBondContact OD1-N 2.94Å; I215-V217 VanDerWaalsContact C-N 3.34Å; I215-V218 WeakPolarHBondContact O-CG2 3.13Å; I215-R219 WeakPolarHBondContact O-CB 3.35Å; I215-R219 PolarHBondContact O-N 3.06Å; I215-M339 HydrophobicContact CB-SD 4.4Å; I215-M339 HydrophobicContact CG1-SD 3.63Å; I215-Y373 HydrophobicContact CG2-CE2 3.81Å
216	F	95.8	Very high	95.4	Very high	57 Å²	57	30.6 Å²	30.6	25%	0.25	16%	0.164	C	C	.	.	H	α-helix	trans	-70.4	-35.1	178.3	-62.9	-55.3	0	0	0	111.6	L206 L210 N213 A220	L206-F216 HydrophobicContact CD1-CB 3.81Å; L206-F216 HydrophobicContact CD2-CB 4.44Å; L210-F216 HydrophobicContact CB-CB 4.39Å; L210-F216 HydrophobicContact CB-CD2 4.11Å; L210-F216 HydrophobicContact CB-CG 4.45Å; L210-F216 HydrophobicContact CD2-CD2 4.11Å; L210-F216 HydrophobicContact CD2-CE2 4.08Å; N213-F216 HydrophobicContact CB-CD2 3.75Å; N213-F216 HydrophobicContact CB-CE2 4.3Å; N213-F216 PolarHBondContact O-N 3.43Å; F216-A220 WeakPolarHBondContact O-CB 3.48Å; F216-A220 PolarHBondContact O-N 2.95Å
217	V	97.3	Very high	94.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63	-52.7	177.3	173.2	0	0	0	0	111.2	F144 L201 L206 R211 N213 P214 I215 R219 A220 L221 I287 I289	F144-V217 HydrophobicContact CE2-CB 4.46Å; F144-V217 HydrophobicContact CE2-CG1 4.3Å; F144-V217 HydrophobicContact CE2-CG2 4.24Å; F144-V217 HydrophobicContact CZ-CB 4.48Å; F144-V217 HydrophobicContact CZ-CG2 4.04Å; L201-V217 HydrophobicContact CD1-CG1 4.2Å; L206-V217 HydrophobicContact CD2-CB 4.49Å; L206-V217 HydrophobicContact CD2-CG2 3.97Å; R211-V217 HydrophobicContact CB-CG2 4.19Å; N213-V217 WeakPolarHBondContact O-CG2 3.41Å; N213-V217 PolarHBondContact O-N 3.46Å; P214-V217 PolarHBondContact O-N 2.73Å; I215-V217 VanDerWaalsContact C-N 3.34Å; V217-R219 VanDerWaalsContact C-N 3.29Å; V217-R219 PolarHBondContact O-N 3.18Å; V217-A220 PolarHBondContact O-N 2.81Å; V217-L221 HydrophobicContact CG1-CD1 3.82Å; V217-L221 HydrophobicContact CG1-CG 4.27Å; V217-L221 WeakPolarHBondContact O-CB 3.43Å; V217-L221 VanDerWaalsContact O-CG 3.28Å; V217-L221 WeakPolarHBondContact O-CG 3.29Å; V217-L221 PolarHBondContact O-N 3.43Å; V217-I287 HydrophobicContact CG1-CD1 3.57Å; V217-I289 HydrophobicContact CG1-CD1 4.19Å
218	V	96.4	Very high	93.8	Very high	9 Å²	9	31.4 Å²	31.4	6%	0.055	17%	0.172	C	C	.	.	H	α-helix	trans	-65.2	-33.8	-177.7	-61.1	0	0	0	0	112.4	P214 I215 L221 S222 M280 I289 C337 M339 V354	P214-V218 WeakPolarHBondContact O-CG1 3.36Å; P214-V218 WeakPolarHBondContact O-CG2 3Å; P214-V218 PolarHBondContact O-N 2.77Å; I215-V218 WeakPolarHBondContact O-CG2 3.13Å; V218-L221 PolarHBondContact O-N 3.46Å; V218-S222 PolarHBondContact O-N 2.97Å; V218-S222 PolarHBondContact O-OG 3.12Å; V218-M280 HydrophobicContact CB-CE 4.19Å; V218-M280 WeakPolarHBondContact O-CE 3.34Å; V218-I289 HydrophobicContact CG1-CD1 3.69Å; V218-I289 HydrophobicContact CG1-CG2 4.39Å; V218-C337 HydrophobicContact CG1-CB 4.11Å; V218-M339 HydrophobicContact CG1-CE 3.93Å; V218-M339 HydrophobicContact CG2-CE 3.96Å; V218-V354 HydrophobicContact CB-CG1 4.43Å; V218-V354 HydrophobicContact CB-CG2 4.12Å; V218-V354 HydrophobicContact CG2-CG2 3.92Å
219	R	93.4	Very high	92.7	Very high	90 Å²	90	36 Å²	36	34%	0.34	19%	0.194	S	C	.	.	H	α-helix	trans	-68.3	-40.5	175	-175	171.6	179.2	79.4	2.2	112.4	I215 V217 L221 S222 D223 E374	I215-R219 WeakPolarHBondContact O-CB 3.35Å; I215-R219 PolarHBondContact O-N 3.06Å; V217-R219 VanDerWaalsContact C-N 3.29Å; V217-R219 PolarHBondContact O-N 3.18Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-S222 PolarHBondContact O-OG 2.99Å; R219-D223 PolarHBondContact O-N 3.09Å; R219-E374 IonicContact CZ-OE1 3.84Å; R219-E374 IonicContact NH1-OE1 3.65Å; R219-E374 PolarHBondContact NH1-OE1 2.9Å; R219-E374 IonicContact NH2-OE1 2.78Å; R219-E374 PolarHBondContact NH2-OE1 3.49Å
220	A	93.7	Very high	91.5	Very high	17 Å²	17	35.7 Å²	35.7	14%	0.14	20%	0.2	C	C	.	.	H	α-helix	trans	-68	-36.3	174.8	0	0	0	0	0	111.6	L206 F216 V217 M224	L206-A220 HydrophobicContact CB-CB 3.77Å; L206-A220 HydrophobicContact CD2-CB 3.85Å; L206-A220 HydrophobicContact CG-CB 4.28Å; F216-A220 WeakPolarHBondContact O-CB 3.48Å; F216-A220 PolarHBondContact O-N 2.95Å; V217-A220 PolarHBondContact O-N 2.81Å; A220-M224 WeakPolarHBondContact O-CB 3.34Å; A220-M224 WeakPolarHBondContact O-CG 3.24Å; A220-M224 PolarHBondContact O-N 3.13Å
221	L	96	Very high	90.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.4	-41.4	177.2	-71.6	177.5	0	0	0	112.2	V200 L201 V217 V218 R219 D223 M224 I225 M280 I283 I287	V200-L221 HydrophobicContact CG1-CD2 3.94Å; L201-L221 HydrophobicContact CD1-CD2 4.25Å; L201-L221 HydrophobicContact CD1-CG 4.5Å; V217-L221 HydrophobicContact CG1-CD1 3.82Å; V217-L221 HydrophobicContact CG1-CG 4.27Å; V217-L221 WeakPolarHBondContact O-CB 3.43Å; V217-L221 VanDerWaalsContact O-CG 3.28Å; V217-L221 WeakPolarHBondContact O-CG 3.29Å; V217-L221 PolarHBondContact O-N 3.43Å; V218-L221 PolarHBondContact O-N 3.46Å; R219-L221 VanDerWaalsContact C-N 3.32Å; L221-D223 VanDerWaalsContact C-N 3.28Å; L221-D223 PolarHBondContact O-N 3.28Å; L221-M224 CarbonylContact O-C 3.42Å; L221-M224 PolarHBondContact O-N 3.4Å; L221-I225 WeakPolarHBondContact O-CG1 3.2Å; L221-I225 PolarHBondContact O-N 2.76Å; L221-M280 HydrophobicContact CB-CE 3.76Å; L221-M280 HydrophobicContact CB-SD 3.8Å; L221-I283 HydrophobicContact CD1-CG2 3.64Å; L221-I283 HydrophobicContact CD2-CG2 3.82Å; L221-I283 HydrophobicContact CG-CG2 4.36Å; L221-I287 HydrophobicContact CD1-CD1 3.86Å
222	S	94.1	Very high	90.6	Very high	21 Å²	21	40.9 Å²	40.9	15%	0.147	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-42.3	177.9	62.9	0	0	0	0	111.8	V218 R219 I225	V218-S222 PolarHBondContact O-N 2.97Å; V218-S222 PolarHBondContact O-OG 3.12Å; R219-S222 PolarHBondContact O-OG 2.99Å; S222-I225 PolarHBondContact O-N 3.17Å
223	D	92.4	Very high	90.6	Very high	94 Å²	94	39.2 Å²	39.2	50%	0.503	20%	0.204	S	C	.	.	H	α-helix	trans	-66	-40.8	172.9	-177.2	65.5	0	0	0	112.2	R219 L221 I225 Q226 S227	R219-D223 PolarHBondContact O-N 3.09Å; L221-D223 VanDerWaalsContact C-N 3.28Å; L221-D223 PolarHBondContact O-N 3.28Å; D223-I225 VanDerWaalsContact C-N 3.33Å; D223-I225 PolarHBondContact O-N 3.31Å; D223-Q226 CarbonylContact O-C 3.53Å; D223-S227 WeakPolarHBondContact O-CB 3.29Å; D223-S227 PolarHBondContact O-N 3.17Å
224	M	95	Very high	90.6	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.049	20%	0.199	C	C	.	.	H	α-helix	trans	-69	-26.6	178	-79.6	-58.6	-55.9	0	0	114.1	V200 R203 A220 L221 S232 V233 F261	V200-M224 HydrophobicContact CG1-CB 3.75Å; V200-M224 HydrophobicContact CG1-CE 4.34Å; V200-M224 HydrophobicContact CG1-CG 4.3Å; R203-M224 HydrophobicContact CB-CE 3.85Å; A220-M224 WeakPolarHBondContact O-CB 3.34Å; A220-M224 WeakPolarHBondContact O-CG 3.24Å; A220-M224 PolarHBondContact O-N 3.13Å; L221-M224 CarbonylContact O-C 3.42Å; L221-M224 PolarHBondContact O-N 3.4Å; M224-S232 CarbonylContact O-C 3.15Å; M224-S232 WeakPolarHBondContact O-CA 3.47Å; M224-S232 WeakPolarHBondContact O-CB 3.4Å; M224-V233 WeakPolarHBondContact O-CG2 3.34Å; M224-V233 PolarHBondContact O-N 3.19Å; M224-F261 HydrophobicContact CE-CZ 4.36Å
225	I	96.3	Very high	90.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.7	-47.5	177.9	-71.4	-57.7	0	0	0	110.4	L221 S222 D223 V233 L234 F276 V279 M280 I283 A356	L221-I225 WeakPolarHBondContact O-CG1 3.2Å; L221-I225 PolarHBondContact O-N 2.76Å; S222-I225 PolarHBondContact O-N 3.17Å; D223-I225 VanDerWaalsContact C-N 3.33Å; D223-I225 PolarHBondContact O-N 3.31Å; I225-V233 HydrophobicContact CD1-CG2 4.38Å; I225-V233 PolarHBondContact O-N 3.21Å; I225-L234 PolarHBondContact O-N 3.47Å; I225-F276 HydrophobicContact CG2-CB 3.73Å; I225-F276 HydrophobicContact CG2-CD1 3.9Å; I225-F276 HydrophobicContact CG2-CG 4.14Å; I225-V279 HydrophobicContact CD1-CB 4.12Å; I225-V279 HydrophobicContact CD1-CG1 3.5Å; I225-M280 HydrophobicContact CG1-CB 4.14Å; I225-M280 HydrophobicContact CG1-SD 4.01Å; I225-I283 HydrophobicContact CD1-CD1 3.59Å; I225-A356 HydrophobicContact CB-CB 3.69Å; I225-A356 HydrophobicContact CG1-CB 4.28Å; I225-A356 HydrophobicContact CG2-CB 3.6Å
226	Q	91.6	Very high	90.2	Very high	27 Å²	27	41.7 Å²	41.7	13%	0.126	22%	0.22	C	C	.	.	S	Bend	trans	-146.5	118.7	173.2	-151.6	-68	5.7	0	0	108.2	D223 F276 A356 P358	D223-Q226 CarbonylContact O-C 3.53Å; Q226-F276 HydrophobicContact CB-CD1 4.22Å; Q226-F276 HydrophobicContact CB-CE1 4.04Å; Q226-F276 HydrophobicContact CB-CZ 4.25Å; Q226-F276 HydrophobicContact CG-CD1 4.42Å; Q226-F276 HydrophobicContact CG-CE1 3.73Å; Q226-F276 HydrophobicContact CG-CE2 4.26Å; Q226-F276 HydrophobicContact CG-CZ 3.66Å; Q226-A356 WeakPolarHBondContact CB-O 3.39Å; Q226-P358 HydrophobicContact CB-CG 4.23Å; Q226-P358 HydrophobicContact CG-CG 3.97Å
227	S	83.7	Confident	89.9	Confident	12 Å²	12	40 Å²	40	8%	0.084	22%	0.215	C	C	.	.			trans	-125.2	151.7	167.7	66.4	0	0	0	0	111	D223 E229 S232	D223-S227 WeakPolarHBondContact O-CB 3.29Å; D223-S227 PolarHBondContact O-N 3.17Å; S227-E229 PolarHBondContact O-N 2.93Å; S227-S232 PolarHBondContact N-OG 2.94Å; S227-S232 PolarHBondContact O-OG 3.47Å
228	S	72.4	Confident	89.3	Confident	94 Å²	94	45.4 Å²	45.4	66%	0.657	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.4	175.2	55.9	0	0	0	0	113.9
229	E	74	Confident	88.4	Confident	137 Å²	137	47.4 Å²	47.4	64%	0.64	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	2.1	-173.5	-58	-60.1	137.6	0	0	113.6	S227 Y231	S227-E229 PolarHBondContact O-N 2.93Å; E229-Y231 HydrophobicContact CB-CD2 4.15Å; E229-Y231 WeakPolarHBondContact O-CD2 3.45Å; E229-Y231 WeakPolarHBondContact O-CE2 3.46Å; E229-Y231 PolarHBondContact O-N 3.02Å
230	G	69.1	Low	87.6	Confident	38 Å²	38	48.1 Å²	48.1	39%	0.392	28%	0.278	S	S	.	.	S	Bend	trans	78.5	6.9	171.6	0	0	0	0	0	116.5
231	Y	82.1	Confident	87.2	Confident	184 Å²	184	51.4 Å²	51.4	72%	0.722	29%	0.294	S	S	*	.			trans	-103.4	12.9	178.6	-57.2	-73.4	0	0	0	113.9	E229	E229-Y231 HydrophobicContact CB-CD2 4.15Å; E229-Y231 WeakPolarHBondContact O-CD2 3.45Å; E229-Y231 WeakPolarHBondContact O-CE2 3.46Å; E229-Y231 PolarHBondContact O-N 3.02Å
232	S	93.7	Very high	86.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-89.9	171.5	-176.9	49.2	0	0	0	0	113.1	M224 S227 L234 F261 Q267	M224-S232 CarbonylContact O-C 3.15Å; M224-S232 WeakPolarHBondContact O-CA 3.47Å; M224-S232 WeakPolarHBondContact O-CB 3.4Å; S227-S232 PolarHBondContact N-OG 2.94Å; S227-S232 PolarHBondContact O-OG 3.47Å; S232-L234 PolarHBondContact OG-O 2.92Å; S232-F261 WeakPolarHBondContact O-CE2 3.39Å; S232-Q267 WeakPolarHBondContact O-CB 3.47Å; S232-Q267 WeakPolarHBondContact O-CG 3.5Å; S232-Q267 PolarHBondContact OG-NE2 3.24Å
233	V	97.1	Very high	86.7	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-66.2	-46.2	-178.5	179.4	0	0	0	0	111.2	V200 M224 I225 I257 L258 F261 I268 V279	V200-V233 HydrophobicContact CG1-CG2 4Å; V200-V233 HydrophobicContact CG2-CG2 3.72Å; M224-V233 WeakPolarHBondContact O-CG2 3.34Å; M224-V233 PolarHBondContact O-N 3.19Å; I225-V233 HydrophobicContact CD1-CG2 4.38Å; I225-V233 PolarHBondContact O-N 3.21Å; V233-I257 HydrophobicContact CG1-CG2 3.88Å; V233-L258 HydrophobicContact CG1-CD2 4.35Å; V233-F261 HydrophobicContact CB-CD2 4.4Å; V233-F261 HydrophobicContact CB-CG 4.39Å; V233-F261 HydrophobicContact CG1-CB 4.16Å; V233-F261 HydrophobicContact CG1-CD1 4.41Å; V233-F261 HydrophobicContact CG1-CD2 4.41Å; V233-F261 HydrophobicContact CG1-CG 4.07Å; V233-F261 HydrophobicContact CG2-CD1 3.94Å; V233-F261 HydrophobicContact CG2-CD2 4.49Å; V233-F261 HydrophobicContact CG2-CE1 3.85Å; V233-F261 HydrophobicContact CG2-CE2 4.43Å; V233-F261 HydrophobicContact CG2-CG 4.26Å; V233-F261 HydrophobicContact CG2-CZ 4.1Å; V233-I268 WeakPolarHBondContact O-CB 3.33Å; V233-I268 PolarHBondContact O-N 2.8Å; V233-V279 HydrophobicContact CG1-CG1 4.33Å
234	L	96.4	Very high	86.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.5	-174.6	-76.1	158.7	0	0	0	111.8	I225 S232 I257 Q267 I268 V275 F276 V279	I225-L234 PolarHBondContact O-N 3.47Å; S232-L234 PolarHBondContact OG-O 2.92Å; L234-I257 HydrophobicContact CD1-CG2 4.35Å; L234-I257 HydrophobicContact CD2-CD1 4.2Å; L234-I257 HydrophobicContact CD2-CG1 4.42Å; L234-I257 HydrophobicContact CD2-CG2 3.7Å; L234-I257 HydrophobicContact CG-CG2 3.92Å; L234-Q267 PolarHBondContact O-NE2 2.79Å; L234-I268 WeakPolarHBondContact CA-O 3.36Å; L234-I268 HydrophobicContact CD2-CB 4.13Å; L234-I268 HydrophobicContact CD2-CG2 4.28Å; L234-I268 WeakPolarHBondContact CD2-O 3.43Å; L234-V275 HydrophobicContact CD1-CG1 3.76Å; L234-V275 HydrophobicContact CD2-CG1 4.19Å; L234-F276 HydrophobicContact CB-CD1 3.94Å; L234-F276 HydrophobicContact CB-CE1 3.6Å; L234-F276 HydrophobicContact CD1-CD1 3.61Å; L234-F276 HydrophobicContact CD1-CE1 4.04Å; L234-F276 HydrophobicContact CG-CD1 4.43Å; L234-F276 HydrophobicContact CG-CE1 4.44Å; L234-V279 HydrophobicContact CD1-CB 4.36Å; L234-V279 HydrophobicContact CD1-CG2 3.86Å
235	E	93.6	Very high	86.4	Confident	65 Å²	65	63.6 Å²	63.6	30%	0.304	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.5	168.2	-170.1	-174.9	170.5	0	0	109.1	Q267 I268 S269 Y270 G271	E235-Q267 HydrophobicContact CB-CG 3.85Å; E235-Q267 VanDerWaalsContact N-CG 3.35Å; E235-I268 PolarHBondContact N-O 2.61Å; E235-S269 WeakPolarHBondContact OE2-CB 3.42Å; E235-S269 PolarHBondContact OE2-OG 3.05Å; E235-Y270 HydrophobicContact CB-CD1 4.21Å; E235-Y270 VanDerWaalsContact CD-CE1 3.41Å; E235-Y270 HydrophobicContact CG-CD1 4.14Å; E235-Y270 HydrophobicContact CG-CE1 4.09Å; E235-Y270 CarbonylContact O-C 3.57Å; E235-Y270 WeakPolarHBondContact O-CA 3.15Å; E235-Y270 WeakPolarHBondContact OE1-CE1 3.33Å; E235-Y270 WeakPolarHBondContact OE2-CE1 3.37Å; E235-G271 PolarHBondContact O-N 3.13Å
236	G	90.9	Very high	86.4	Confident	20 Å²	20	65.6 Å²	65.6	21%	0.206	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.5	174.2	0	0	0	0	0	111.4	G271	G236-G271 WeakPolarHBondContact CA-O 3.17Å
237	S	88.7	Confident	86.5	Confident	21 Å²	21	65.1 Å²	65.1	15%	0.147	37%	0.369	C	S	.	.			trans	-145.5	121.8	172.7	178.6	0	0	0	0	110.2	A239 Y242 G271 H272	S237-A239 WeakPolarHBondContact OG-CB 3.44Å; S237-A239 PolarHBondContact OG-N 2.69Å; S237-Y242 WeakPolarHBondContact O-CE1 3.45Å; S237-G271 PolarHBondContact N-O 3.41Å; S237-H272 PolarHBondContact O-CD2 2.93Å; S237-H272 PolarHBondContact O-NE2 2.55Å
238	W	85.7	Confident	87.1	Confident	114 Å²	114	64.5 Å²	64.5	43%	0.432	37%	0.365	S	S	.	.			trans	-99.9	11.5	171.2	-75.3	-107.8	0	0	0	111.7	H272 F276 W329 T357	W238-H272 AromaticContact CD2-CD2 3.97Å; W238-H272 AromaticContact CE2-CD2 3.95Å; W238-H272 AromaticContact CG-NE2 3.97Å; W238-F276 AromaticContact CH2-CE2 3.76Å; W238-F276 HydrophobicContact CH2-CE2 3.76Å; W238-F276 HydrophobicContact CH2-CZ 4.39Å; W238-F276 HydrophobicContact CZ2-CE2 4.44Å; W238-W329 AromaticContact CE2-CH2 3.54Å; W238-W329 AromaticContact CE2-CZ3 3.87Å; W238-W329 HydrophobicContact CH2-CH2 4.49Å; W238-W329 AromaticContact CZ2-CH2 3.53Å; W238-W329 HydrophobicContact CZ2-CH2 3.53Å; W238-W329 AromaticContact CZ2-CZ3 3.89Å; W238-W329 HydrophobicContact CZ2-CZ3 3.89Å; W238-W329 AromaticContact NE1-CH2 3.34Å; W238-W329 VanDerWaalsContact NE1-CH2 3.34Å; W238-W329 AromaticContact NE1-CZ3 3.35Å; W238-W329 VanDerWaalsContact NE1-CZ3 3.35Å; W238-T357 HydrophobicContact CH2-CG2 3.79Å; W238-T357 HydrophobicContact CZ2-CG2 3.97Å
239	A	77.7	Confident	88.1	Confident	51 Å²	51	64 Å²	64	42%	0.421	36%	0.359	S	S	.	.	S	Bend	trans	-64.4	143.3	171.2	0	0	0	0	0	109.3	S237 N241 Y242	S237-A239 WeakPolarHBondContact OG-CB 3.44Å; S237-A239 PolarHBondContact OG-N 2.69Å; A239-N241 PolarHBondContact O-N 3.09Å; A239-Y242 WeakPolarHBondContact O-CE1 3.46Å; A239-Y242 PolarHBondContact O-OH 3.32Å
240	A	75.3	Confident	89.1	Confident	106 Å²	106	63.9 Å²	63.9	88%	0.876	36%	0.358	S	S	*	.	S	Bend	trans	-68.4	-2.7	177.8	0	0	0	0	0	113.8
241	N	86.1	Confident	90.4	Very high	86 Å²	86	63.1 Å²	63.1	46%	0.46	34%	0.343	S	S	.	.			trans	-124.9	124.5	-173.4	-177.9	-1	0	0	0	110.9	A239 F243	A239-N241 PolarHBondContact O-N 3.09Å; N241-F243 VanDerWaalsContact CG-CE2 3.44Å; N241-F243 WeakPolarHBondContact ND2-CD2 3.35Å; N241-F243 WeakPolarHBondContact ND2-CE2 3.28Å; N241-F243 WeakPolarHBondContact OD1-CD2 3.48Å; N241-F243 WeakPolarHBondContact OD1-CE2 3.36Å; N241-F243 WeakPolarHBondContact OD1-CG 3.49Å; N241-F243 PolarHBondContact OD1-N 3.34Å; N241-F243 VanDerWaalsContact OD1-N 3.11Å
242	Y	89.9	Confident	91.1	Very high	46 Å²	46	59.6 Å²	59.6	18%	0.18	34%	0.341	C	S	.	.			trans	-122	21.2	-175.4	-52.1	-68.6	0	0	0	113.5	S237 A239 T244 G245 P248 Y270 H272	S237-Y242 WeakPolarHBondContact O-CE1 3.45Å; A239-Y242 WeakPolarHBondContact O-CE1 3.46Å; A239-Y242 PolarHBondContact O-OH 3.32Å; Y242-T244 PolarHBondContact O-N 3.31Å; Y242-G245 CarbonylContact O-C 3.55Å; Y242-G245 PolarHBondContact O-N 3.14Å; Y242-P248 HydrophobicContact CD1-CG 4.43Å; Y242-P248 VanDerWaalsContact CE1-CD 3.42Å; Y242-P248 HydrophobicContact CE1-CG 3.83Å; Y242-P248 VanDerWaalsContact CZ-CD 3.47Å; Y242-Y270 AromaticContact CD1-CD2 3.63Å; Y242-Y270 HydrophobicContact CD1-CD2 3.63Å; Y242-Y270 HydrophobicContact CD1-CE2 4.27Å; Y242-Y270 AromaticContact CD1-CG 3.96Å; Y242-Y270 HydrophobicContact CD1-CG 3.96Å; Y242-Y270 HydrophobicContact CG-CD2 4.24Å; Y242-H272 PolarHBondContact OH-CE1 2.93Å; Y242-H272 VanDerWaalsContact OH-CE1 3.25Å; Y242-H272 PolarHBondContact OH-NE2 3.01Å; Y242-H272 VanDerWaalsContact OH-NE2 3.09Å
243	F	88.5	Confident	91.3	Very high	187 Å²	187	59.8 Å²	59.8	82%	0.82	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-24.5	-171.5	-69.7	-53.6	0	0	0	115.8	N241	N241-F243 VanDerWaalsContact CG-CE2 3.44Å; N241-F243 WeakPolarHBondContact ND2-CD2 3.35Å; N241-F243 WeakPolarHBondContact ND2-CE2 3.28Å; N241-F243 WeakPolarHBondContact OD1-CD2 3.48Å; N241-F243 WeakPolarHBondContact OD1-CE2 3.36Å; N241-F243 WeakPolarHBondContact OD1-CG 3.49Å; N241-F243 PolarHBondContact OD1-N 3.34Å; N241-F243 VanDerWaalsContact OD1-N 3.11Å
244	T	89.6	Confident	91.4	Very high	115 Å²	115	59.8 Å²	59.8	71%	0.706	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-1	-179.4	39.9	0	0	0	0	114.1	Y242 Y270	Y242-T244 PolarHBondContact O-N 3.31Å; T244-Y270 PolarHBondContact OG1-OH 2.79Å
245	G	93.3	Very high	91.5	Very high	33 Å²	33	61.1 Å²	61.1	34%	0.34	35%	0.351	S	S	.	.	S	Bend	trans	-153.8	-162.5	-176.4	0	0	0	0	0	113.1	Y242 S269	Y242-G245 CarbonylContact O-C 3.55Å; Y242-G245 PolarHBondContact O-N 3.14Å; G245-S269 WeakPolarHBondContact CA-O 3.43Å
246	T	94.9	Very high	91.7	Very high	42 Å²	42	64.4 Å²	64.4	26%	0.258	37%	0.365	S	S	.	.			trans	-93.5	134.2	174.6	-55	0	0	0	0	109.1	E250 W251 S269 Y270	T246-E250 HydrophobicContact CG2-CB 3.89Å; T246-W251 VanDerWaalsContact CB-CZ2 3.4Å; T246-W251 HydrophobicContact CG2-CD2 4Å; T246-W251 HydrophobicContact CG2-CE3 4.36Å; T246-W251 HydrophobicContact CG2-CH2 4.1Å; T246-W251 HydrophobicContact CG2-CZ2 3.72Å; T246-W251 HydrophobicContact CG2-CZ3 4.4Å; T246-S269 PolarHBondContact N-O 2.99Å; T246-Y270 PolarHBondContact O-N 3.29Å
247	S	94.9	Very high	92	Very high	16 Å²	16	63.5 Å²	63.5	11%	0.112	36%	0.355	C	S	.	.			trans	-59.1	135.8	174.1	177.3	0	0	0	0	109.9	T249 E250	S247-T249 PolarHBondContact O-N 3.38Å; S247-T249 PolarHBondContact OG-N 3.49Å; S247-T249 PolarHBondContact OG-OG1 3.12Å; S247-E250 WeakPolarHBondContact O-CB 3.43Å; S247-E250 PolarHBondContact O-N 2.93Å
248	P	95	Very high	92.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-23.8	176.1	-29	37.1	0	0	0	114.3	Y242 H272 W274 V275	Y242-P248 HydrophobicContact CD1-CG 4.43Å; Y242-P248 VanDerWaalsContact CE1-CD 3.42Å; Y242-P248 HydrophobicContact CE1-CG 3.83Å; Y242-P248 VanDerWaalsContact CZ-CD 3.47Å; P248-H272 HydrophobicContact CB-CB 4.14Å; P248-W274 HydrophobicContact CB-CZ2 4.13Å; P248-W274 PolarHBondContact O-NE1 3.28Å; P248-V275 HydrophobicContact CB-CG2 4.26Å; P248-V275 WeakPolarHBondContact O-CG2 3.29Å
249	T	93.5	Very high	93.1	Very high	84 Å²	84	60.8 Å²	60.8	52%	0.515	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-14.7	178.9	62.2	0	0	0	0	114.5	S247 W274	S247-T249 PolarHBondContact O-N 3.38Å; S247-T249 PolarHBondContact OG-N 3.49Å; S247-T249 PolarHBondContact OG-OG1 3.12Å; T249-W274 HydrophobicContact CG2-CH2 4.35Å; T249-W274 HydrophobicContact CG2-CZ2 3.99Å
250	E	95.4	Very high	94	Very high	134 Å²	134	62.6 Å²	62.6	63%	0.626	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-19.7	178.7	-72.5	175.6	-156	0	0	112.8	T246 S247 T252	T246-E250 HydrophobicContact CG2-CB 3.89Å; S247-E250 WeakPolarHBondContact O-CB 3.43Å; S247-E250 PolarHBondContact O-N 2.93Å; E250-T252 PolarHBondContact O-N 2.83Å
251	W	97.1	Very high	95	Very high	22 Å²	22	57.7 Å²	57.7	8%	0.083	30%	0.303	C	S	.	.			trans	-66.9	128.2	175.6	-61.8	118.6	0	0	0	111.3	W184 T246 K256 I257 I268 Y270 V275	W184-W251 HydrophobicContact CH2-CB 3.69Å; W184-W251 HydrophobicContact CZ3-CB 4.03Å; W184-W251 WeakPolarHBondContact CZ3-O 3.42Å; T246-W251 VanDerWaalsContact CB-CZ2 3.4Å; T246-W251 HydrophobicContact CG2-CD2 4Å; T246-W251 HydrophobicContact CG2-CE3 4.36Å; T246-W251 HydrophobicContact CG2-CH2 4.1Å; T246-W251 HydrophobicContact CG2-CZ2 3.72Å; T246-W251 HydrophobicContact CG2-CZ3 4.4Å; W251-K256 HydrophobicContact CZ3-CB 4.16Å; W251-I257 HydrophobicContact CD2-CD1 3.81Å; W251-I257 HydrophobicContact CD2-CG1 3.91Å; W251-I257 HydrophobicContact CE3-CD1 4.02Å; W251-I257 HydrophobicContact CE3-CG1 3.74Å; W251-I257 HydrophobicContact CG-CD1 4.06Å; W251-I257 HydrophobicContact CH2-CG1 3.87Å; W251-I257 HydrophobicContact CZ2-CG1 4Å; W251-I257 HydrophobicContact CZ3-CG1 3.73Å; W251-I268 HydrophobicContact CH2-CG2 4.06Å; W251-I268 HydrophobicContact CZ2-CG2 3.82Å; W251-Y270 PolarHBondContact NE1-O 3.5Å; W251-V275 HydrophobicContact CG-CG1 4.35Å
252	T	96.3	Very high	95.4	Very high	109 Å²	109	55.1 Å²	55.1	67%	0.669	29%	0.294	S	S	*	.			trans	-111.7	3	175.8	61.7	0	0	0	0	112.8	S185 E250	S185-T252 PolarHBondContact N-O 3.39Å; E250-T252 PolarHBondContact O-N 2.83Å
253	G	98	Very high	95.7	Very high	5 Å²	5	62 Å²	62	5%	0.052	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	174.6	171.7	-174.1	0	0	0	0	0	113.7	S185	S185-G253 CarbonylContact O-C 3.44Å; S185-G253 WeakPolarHBondContact O-CA 3.07Å
254	S	98.7	Very high	95.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-90.6	-21.1	-171.3	-50.9	0	0	0	0	114.1	W184 S185 K256 I257 L258 G278 V279 T282	W184-S254 PolarHBondContact NE1-OG 3.44Å; S185-S254 PolarHBondContact O-N 3.05Å; S254-K256 PolarHBondContact O-N 3.08Å; S254-I257 WeakPolarHBondContact O-CB 3.36Å; S254-I257 PolarHBondContact O-N 2.87Å; S254-L258 PolarHBondContact O-N 2.77Å; S254-G278 VanDerWaalsContact OG-C 3.25Å; S254-G278 PolarHBondContact OG-O 3Å; S254-V279 PolarHBondContact OG-N 3.18Å; S254-T282 WeakPolarHBondContact CB-OG1 3.23Å; S254-T282 PolarHBondContact OG-OG1 3.35Å
255	T	98.4	Very high	96	Very high	27 Å²	27	53.2 Å²	53.2	17%	0.166	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-51.4	-167.4	54.1	0	0	0	0	112.7	E190 I193 I257 L258 Q259	E190-T255 HydrophobicContact CB-CG2 4.15Å; E190-T255 HydrophobicContact CG-CG2 4.02Å; I193-T255 HydrophobicContact CD1-CG2 4.15Å; I193-T255 HydrophobicContact CG1-CG2 4.25Å; T255-I257 VanDerWaalsContact C-N 3.31Å; T255-I257 PolarHBondContact O-N 2.86Å; T255-L258 PolarHBondContact O-N 2.8Å; T255-Q259 WeakPolarHBondContact O-CB 3.42Å; T255-Q259 VanDerWaalsContact O-CG 3.28Å; T255-Q259 WeakPolarHBondContact O-CG 3.47Å; T255-Q259 PolarHBondContact O-N 2.85Å
256	K	97.6	Very high	95.9	Very high	135 Å²	135	60.7 Å²	60.7	59%	0.587	31%	0.313	S	S	*	.	H	α-helix	trans	-59.3	-40.8	177.6	-70.8	-175.2	-180	176.8	0	112.3	W251 S254 Q260	W251-K256 HydrophobicContact CZ3-CB 4.16Å; S254-K256 PolarHBondContact O-N 3.08Å; K256-Q260 VanDerWaalsContact O-CB 3.27Å; K256-Q260 WeakPolarHBondContact O-CB 3.48Å; K256-Q260 WeakPolarHBondContact O-CG 3.35Å; K256-Q260 PolarHBondContact O-N 2.94Å
257	I	98.4	Very high	95.9	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-53.3	179.2	-63.5	164.3	0	0	0	109.5	V233 L234 W251 S254 T255 Q260 F261 I268 V275 V279	V233-I257 HydrophobicContact CG1-CG2 3.88Å; L234-I257 HydrophobicContact CD1-CG2 4.35Å; L234-I257 HydrophobicContact CD2-CD1 4.2Å; L234-I257 HydrophobicContact CD2-CG1 4.42Å; L234-I257 HydrophobicContact CD2-CG2 3.7Å; L234-I257 HydrophobicContact CG-CG2 3.92Å; W251-I257 HydrophobicContact CD2-CD1 3.81Å; W251-I257 HydrophobicContact CD2-CG1 3.91Å; W251-I257 HydrophobicContact CE3-CD1 4.02Å; W251-I257 HydrophobicContact CE3-CG1 3.74Å; W251-I257 HydrophobicContact CG-CD1 4.06Å; W251-I257 HydrophobicContact CH2-CG1 3.87Å; W251-I257 HydrophobicContact CZ2-CG1 4Å; W251-I257 HydrophobicContact CZ3-CG1 3.73Å; S254-I257 WeakPolarHBondContact O-CB 3.36Å; S254-I257 PolarHBondContact O-N 2.87Å; T255-I257 VanDerWaalsContact C-N 3.31Å; T255-I257 PolarHBondContact O-N 2.86Å; I257-Q260 PolarHBondContact O-N 3.45Å; I257-F261 WeakPolarHBondContact O-CB 3.02Å; I257-F261 PolarHBondContact O-N 3.27Å; I257-I268 HydrophobicContact CG2-CB 4.26Å; I257-I268 HydrophobicContact CG2-CG1 4.29Å; I257-I268 HydrophobicContact CG2-CG2 4.32Å; I257-V275 HydrophobicContact CD1-CG1 3.74Å; I257-V279 HydrophobicContact CB-CG2 4.35Å; I257-V279 HydrophobicContact CD1-CG2 3.81Å; I257-V279 HydrophobicContact CG2-CG2 4.11Å
258	L	98.5	Very high	95.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-42.8	-177.1	-73	171.9	0	0	0	112.5	I193 A196 V200 V233 S254 T255 F261 A262 V279 T282 I283	I193-L258 HydrophobicContact CD1-CB 4.1Å; I193-L258 HydrophobicContact CG2-CD1 4.27Å; A196-L258 HydrophobicContact CB-CB 4.04Å; V200-L258 HydrophobicContact CG2-CD2 4.26Å; V233-L258 HydrophobicContact CG1-CD2 4.35Å; S254-L258 PolarHBondContact O-N 2.77Å; T255-L258 PolarHBondContact O-N 2.8Å; L258-F261 PolarHBondContact O-N 3.21Å; L258-A262 VanDerWaalsContact O-CB 3.27Å; L258-A262 WeakPolarHBondContact O-CB 3.47Å; L258-A262 PolarHBondContact O-N 3.23Å; L258-V279 HydrophobicContact CD1-CG1 4.36Å; L258-V279 HydrophobicContact CD2-CG1 3.74Å; L258-V279 HydrophobicContact CG-CG1 4.01Å; L258-T282 HydrophobicContact CD1-CG2 3.71Å; L258-I283 HydrophobicContact CD1-CG1 4.31Å; L258-I283 HydrophobicContact CD2-CD1 4.03Å; L258-I283 HydrophobicContact CD2-CG1 4.1Å
259	Q	97.6	Very high	95.9	Very high	79 Å²	79	62.2 Å²	62.2	37%	0.369	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-43.8	176.4	-73.2	171.4	-22.8	0	0	111.7	E191 I193 T255 K263	E191-Q259 PolarHBondContact O-NE2 2.93Å; I193-Q259 HydrophobicContact CD1-CG 3.78Å; T255-Q259 WeakPolarHBondContact O-CB 3.42Å; T255-Q259 VanDerWaalsContact O-CG 3.28Å; T255-Q259 WeakPolarHBondContact O-CG 3.47Å; T255-Q259 PolarHBondContact O-N 2.85Å; Q259-K263 VanDerWaalsContact O-CB 3.25Å; Q259-K263 WeakPolarHBondContact O-CB 3.16Å; Q259-K263 PolarHBondContact O-N 2.75Å
260	Q	96.5	Very high	95.9	Very high	88 Å²	88	59.2 Å²	59.2	41%	0.411	30%	0.298	S	S	.	.	H	α-helix	trans	-65.8	-43.2	177.1	-74.1	177.4	0.9	0	0	111.9	K256 I257 K263 T264 I268	K256-Q260 VanDerWaalsContact O-CB 3.27Å; K256-Q260 WeakPolarHBondContact O-CB 3.48Å; K256-Q260 WeakPolarHBondContact O-CG 3.35Å; K256-Q260 PolarHBondContact O-N 2.94Å; I257-Q260 PolarHBondContact O-N 3.45Å; Q260-K263 PolarHBondContact O-N 3.42Å; Q260-T264 WeakPolarHBondContact O-CB 3.28Å; Q260-T264 WeakPolarHBondContact O-CG2 3.42Å; Q260-T264 PolarHBondContact O-N 2.66Å; Q260-T264 PolarHBondContact O-OG1 3.2Å; Q260-I268 HydrophobicContact CB-CD1 3.68Å; Q260-I268 HydrophobicContact CB-CG1 4.45Å
261	F	96.3	Very high	95.9	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.013	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-44	176.9	178.1	-103.5	0	0	0	111.9	V200 R203 M224 S232 V233 I257 L258 G265 R266 I268	V200-F261 HydrophobicContact CG2-CD1 3.89Å; V200-F261 HydrophobicContact CG2-CE1 3.75Å; R203-F261 VanDerWaalsContact NH1-CZ 3.28Å; R203-F261 PolarHBondContact NH1-O 3.15Å; M224-F261 HydrophobicContact CE-CZ 4.36Å; S232-F261 WeakPolarHBondContact O-CE2 3.39Å; V233-F261 HydrophobicContact CB-CD2 4.4Å; V233-F261 HydrophobicContact CB-CG 4.39Å; V233-F261 HydrophobicContact CG1-CB 4.16Å; V233-F261 HydrophobicContact CG1-CD1 4.41Å; V233-F261 HydrophobicContact CG1-CD2 4.41Å; V233-F261 HydrophobicContact CG1-CG 4.07Å; V233-F261 HydrophobicContact CG2-CD1 3.94Å; V233-F261 HydrophobicContact CG2-CD2 4.49Å; V233-F261 HydrophobicContact CG2-CE1 3.85Å; V233-F261 HydrophobicContact CG2-CE2 4.43Å; V233-F261 HydrophobicContact CG2-CG 4.26Å; V233-F261 HydrophobicContact CG2-CZ 4.1Å; I257-F261 WeakPolarHBondContact O-CB 3.02Å; I257-F261 PolarHBondContact O-N 3.27Å; L258-F261 PolarHBondContact O-N 3.21Å; F261-G265 WeakPolarHBondContact O-CA 3.29Å; F261-G265 PolarHBondContact O-N 3Å; F261-R266 VanDerWaalsContact CD2-O 3.29Å; F261-R266 WeakPolarHBondContact CD2-O 3.32Å; F261-I268 HydrophobicContact CB-CD1 4.45Å; F261-I268 HydrophobicContact CB-CG1 4.03Å
262	A	95.2	Very high	95.8	Very high	32 Å²	32	52.7 Å²	52.7	26%	0.264	27%	0.269	S	S	.	.	H	α-helix	trans	-61.9	-47.4	177.7	0	0	0	0	0	111	A196 R203 L258	A196-A262 HydrophobicContact CB-CB 3.73Å; R203-A262 PolarHBondContact NH2-O 2.75Å; L258-A262 VanDerWaalsContact O-CB 3.27Å; L258-A262 WeakPolarHBondContact O-CB 3.47Å; L258-A262 PolarHBondContact O-N 3.23Å
263	K	95.1	Very high	95.7	Very high	190 Å²	190	47.6 Å²	47.6	83%	0.826	24%	0.238	S	C	*	.	H	α-helix	trans	-66.3	-41.8	-179.3	-177	178.1	-179.5	177.8	0	113.6	Q259 Q260	Q259-K263 VanDerWaalsContact O-CB 3.25Å; Q259-K263 WeakPolarHBondContact O-CB 3.16Å; Q259-K263 PolarHBondContact O-N 2.75Å; Q260-K263 PolarHBondContact O-N 3.42Å
264	T	93.9	Very high	95.7	Very high	74 Å²	74	48.3 Å²	48.3	45%	0.454	24%	0.239	S	C	.	.	H	α-helix	trans	-97	-25	-170.1	63.9	0	0	0	0	113.8	Q260 R266	Q260-T264 WeakPolarHBondContact O-CB 3.28Å; Q260-T264 WeakPolarHBondContact O-CG2 3.42Å; Q260-T264 PolarHBondContact O-N 2.66Å; Q260-T264 PolarHBondContact O-OG1 3.2Å; T264-R266 PolarHBondContact O-N 2.89Å; T264-R266 PolarHBondContact OG1-N 2.86Å
265	G	91	Very high	95.7	Very high	44 Å²	44	48.3 Å²	48.3	45%	0.454	24%	0.239	S	C	.	.			trans	72.4	3.5	-169.7	0	0	0	0	0	114.3	F261	F261-G265 WeakPolarHBondContact O-CA 3.29Å; F261-G265 PolarHBondContact O-N 3Å
266	R	91.9	Very high	95.6	Very high	190 Å²	190	47 Å²	47	72%	0.717	23%	0.231	S	C	*	.	S	Bend	trans	-108.5	145.4	-173.2	-62.2	-177.7	-176.8	-175.5	-0.9	110.7	F261 T264	F261-R266 VanDerWaalsContact CD2-O 3.29Å; F261-R266 WeakPolarHBondContact CD2-O 3.32Å; T264-R266 PolarHBondContact O-N 2.89Å; T264-R266 PolarHBondContact OG1-N 2.86Å
267	Q	93.6	Very high	95.7	Very high	49 Å²	49	40.7 Å²	40.7	23%	0.229	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-56.3	140.4	172.4	-168.7	177.4	40.7	0	0	110.7	S232 L234 E235	S232-Q267 WeakPolarHBondContact O-CB 3.47Å; S232-Q267 WeakPolarHBondContact O-CG 3.5Å; S232-Q267 PolarHBondContact OG-NE2 3.24Å; L234-Q267 PolarHBondContact O-NE2 2.79Å; E235-Q267 HydrophobicContact CB-CG 3.85Å; E235-Q267 VanDerWaalsContact N-CG 3.35Å
268	I	95.7	Very high	95.7	Very high	13 Å²	13	40.7 Å²	40.7	7%	0.067	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.5	-176.5	-54.2	-55.9	0	0	0	109.9	V233 L234 E235 W251 I257 Q260 F261	V233-I268 WeakPolarHBondContact O-CB 3.33Å; V233-I268 PolarHBondContact O-N 2.8Å; L234-I268 WeakPolarHBondContact CA-O 3.36Å; L234-I268 HydrophobicContact CD2-CB 4.13Å; L234-I268 HydrophobicContact CD2-CG2 4.28Å; L234-I268 WeakPolarHBondContact CD2-O 3.43Å; E235-I268 PolarHBondContact N-O 2.61Å; W251-I268 HydrophobicContact CH2-CG2 4.06Å; W251-I268 HydrophobicContact CZ2-CG2 3.82Å; I257-I268 HydrophobicContact CG2-CB 4.26Å; I257-I268 HydrophobicContact CG2-CG1 4.29Å; I257-I268 HydrophobicContact CG2-CG2 4.32Å; Q260-I268 HydrophobicContact CB-CD1 3.68Å; Q260-I268 HydrophobicContact CB-CG1 4.45Å; F261-I268 HydrophobicContact CB-CD1 4.45Å; F261-I268 HydrophobicContact CB-CG1 4.03Å
269	S	94.3	Very high	95.7	Very high	28 Å²	28	40.7 Å²	40.7	20%	0.196	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.6	178.7	-42.3	0	0	0	0	110.2	E235 G245 T246	E235-S269 WeakPolarHBondContact OE2-CB 3.42Å; E235-S269 PolarHBondContact OE2-OG 3.05Å; G245-S269 WeakPolarHBondContact CA-O 3.43Å; T246-S269 PolarHBondContact N-O 2.99Å
270	Y	94.4	Very high	95.7	Very high	21 Å²	21	36.9 Å²	36.9	8%	0.082	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-130	162.3	0.1	-65.4	-78.9	0	0	0	112	E235 Y242 T244 T246 W251	E235-Y270 HydrophobicContact CB-CD1 4.21Å; E235-Y270 VanDerWaalsContact CD-CE1 3.41Å; E235-Y270 HydrophobicContact CG-CD1 4.14Å; E235-Y270 HydrophobicContact CG-CE1 4.09Å; E235-Y270 CarbonylContact O-C 3.57Å; E235-Y270 WeakPolarHBondContact O-CA 3.15Å; E235-Y270 WeakPolarHBondContact OE1-CE1 3.33Å; E235-Y270 WeakPolarHBondContact OE2-CE1 3.37Å; Y242-Y270 AromaticContact CD1-CD2 3.63Å; Y242-Y270 HydrophobicContact CD1-CD2 3.63Å; Y242-Y270 HydrophobicContact CD1-CE2 4.27Å; Y242-Y270 AromaticContact CD1-CG 3.96Å; Y242-Y270 HydrophobicContact CD1-CG 3.96Å; Y242-Y270 HydrophobicContact CG-CD2 4.24Å; T244-Y270 PolarHBondContact OG1-OH 2.79Å; T246-Y270 PolarHBondContact O-N 3.29Å; W251-Y270 PolarHBondContact NE1-O 3.5Å
271	G	94.8	Very high	95.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	152.9	173	0	0	0	0	0	113.2	E235 G236 S237 F276	E235-G271 PolarHBondContact O-N 3.13Å; G236-G271 WeakPolarHBondContact CA-O 3.17Å; S237-G271 PolarHBondContact N-O 3.41Å; G271-F276 WeakPolarHBondContact O-CZ 3.49Å
272	H	94.5	Very high	95.9	Very high	20 Å²	20	32.6 Å²	32.6	9%	0.093	17%	0.166	C	C	.	.			trans	-115.9	179.7	162.5	-71.7	177.2	0	0	0	109	S237 W238 Y242 P248 W274 V275 F276	S237-H272 PolarHBondContact O-CD2 2.93Å; S237-H272 PolarHBondContact O-NE2 2.55Å; W238-H272 AromaticContact CD2-CD2 3.97Å; W238-H272 AromaticContact CE2-CD2 3.95Å; W238-H272 AromaticContact CG-NE2 3.97Å; Y242-H272 PolarHBondContact OH-CE1 2.93Å; Y242-H272 VanDerWaalsContact OH-CE1 3.25Å; Y242-H272 PolarHBondContact OH-NE2 3.01Å; Y242-H272 VanDerWaalsContact OH-NE2 3.09Å; P248-H272 HydrophobicContact CB-CB 4.14Å; H272-W274 VanDerWaalsContact C-N 3.33Å; H272-W274 HydrophobicContact CB-CD2 4.2Å; H272-W274 HydrophobicContact CB-CE3 3.8Å; H272-W274 HydrophobicContact CB-CH2 3.78Å; H272-W274 HydrophobicContact CB-CZ2 4.11Å; H272-W274 HydrophobicContact CB-CZ3 3.58Å; H272-W274 AromaticContact CG-CH2 3.8Å; H272-W274 AromaticContact CG-CZ3 3.95Å; H272-W274 AromaticContact ND1-CH2 3.08Å; H272-W274 WeakPolarHBondContact ND1-CH2 3.45Å; H272-W274 AromaticContact ND1-CZ2 3.86Å; H272-W274 AromaticContact ND1-CZ3 3.45Å; H272-W274 WeakPolarHBondContact ND1-CZ3 3.29Å; H272-W274 PolarHBondContact O-N 2.91Å; H272-W274 VanDerWaalsContact O-N 3.15Å; H272-V275 WeakPolarHBondContact O-CA 3.5Å; H272-V275 WeakPolarHBondContact O-CB 3.26Å; H272-V275 PolarHBondContact O-N 2.85Å; H272-F276 WeakPolarHBondContact O-CD2 3.34Å; H272-F276 WeakPolarHBondContact O-CG 3.35Å; H272-F276 PolarHBondContact O-N 2.84Å
273	C	95.6	Very high	96.1	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.014	15%	0.153	C	C	.	.	H	α-helix	trans	-46.2	-46.4	-178	55.9	0	0	0	0	114.9	V275 F276 A277 H332 V333 T357	C273-V275 VanDerWaalsContact C-N 3.31Å; C273-V275 PolarHBondContact O-N 2.86Å; C273-F276 PolarHBondContact O-N 3.43Å; C273-A277 WeakPolarHBondContact O-CB 3.47Å; C273-A277 PolarHBondContact O-N 3.02Å; C273-H332 WeakPolarHBondContact CB-CE1 3.44Å; C273-H332 VanDerWaalsContact CB-ND1 3.26Å; C273-H332 WeakPolarHBondContact CB-ND1 3.2Å; C273-V333 HydrophobicContact CB-CB 4.4Å; C273-T357 HydrophobicContact CB-CG2 4.23Å
274	W	97.4	Very high	96.3	Very high	19 Å²	19	22 Å²	22	7%	0.072	11%	0.114	C	C	.	.	H	α-helix	trans	-67.5	-30.4	178.6	67.3	86	0	0	0	113.7	I171 P248 T249 H272 G278 Y331 V333	I171-W274 HydrophobicContact CD1-CB 4.35Å; I171-W274 WeakPolarHBondContact CD1-O 3.42Å; I171-W274 HydrophobicContact CG2-CB 3.88Å; P248-W274 HydrophobicContact CB-CZ2 4.13Å; P248-W274 PolarHBondContact O-NE1 3.28Å; T249-W274 HydrophobicContact CG2-CH2 4.35Å; T249-W274 HydrophobicContact CG2-CZ2 3.99Å; H272-W274 VanDerWaalsContact C-N 3.33Å; H272-W274 HydrophobicContact CB-CD2 4.2Å; H272-W274 HydrophobicContact CB-CE3 3.8Å; H272-W274 HydrophobicContact CB-CH2 3.78Å; H272-W274 HydrophobicContact CB-CZ2 4.11Å; H272-W274 HydrophobicContact CB-CZ3 3.58Å; H272-W274 AromaticContact CG-CH2 3.8Å; H272-W274 AromaticContact CG-CZ3 3.95Å; H272-W274 AromaticContact ND1-CH2 3.08Å; H272-W274 WeakPolarHBondContact ND1-CH2 3.45Å; H272-W274 AromaticContact ND1-CZ2 3.86Å; H272-W274 AromaticContact ND1-CZ3 3.45Å; H272-W274 WeakPolarHBondContact ND1-CZ3 3.29Å; H272-W274 PolarHBondContact O-N 2.91Å; H272-W274 VanDerWaalsContact O-N 3.15Å; W274-G278 PolarHBondContact O-N 2.79Å; W274-Y331 AromaticContact CE3-CE2 3.89Å; W274-Y331 HydrophobicContact CE3-CE2 3.89Å; W274-Y331 HydrophobicContact CZ3-CE2 4.25Å; W274-Y331 WeakPolarHBondContact CZ3-OH 3.37Å; W274-V333 HydrophobicContact CB-CB 4.32Å; W274-V333 HydrophobicContact CB-CG1 4.45Å; W274-V333 HydrophobicContact CB-CG2 4.08Å
275	V	97.9	Very high	96.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-70.6	-45.4	176.2	-175	0	0	0	0	109	W184 L234 P248 W251 I257 H272 C273 A277 G278 V279	W184-V275 HydrophobicContact CH2-CB 4.23Å; W184-V275 HydrophobicContact CH2-CG1 4.04Å; W184-V275 HydrophobicContact CH2-CG2 4.18Å; W184-V275 HydrophobicContact CZ2-CG1 4.49Å; L234-V275 HydrophobicContact CD1-CG1 3.76Å; L234-V275 HydrophobicContact CD2-CG1 4.19Å; P248-V275 HydrophobicContact CB-CG2 4.26Å; P248-V275 WeakPolarHBondContact O-CG2 3.29Å; W251-V275 HydrophobicContact CG-CG1 4.35Å; I257-V275 HydrophobicContact CD1-CG1 3.74Å; H272-V275 WeakPolarHBondContact O-CA 3.5Å; H272-V275 WeakPolarHBondContact O-CB 3.26Å; H272-V275 PolarHBondContact O-N 2.85Å; C273-V275 VanDerWaalsContact C-N 3.31Å; C273-V275 PolarHBondContact O-N 2.86Å; V275-A277 PolarHBondContact O-N 3.42Å; V275-G278 PolarHBondContact O-N 2.96Å; V275-V279 WeakPolarHBondContact O-CG2 3.34Å; V275-V279 PolarHBondContact O-N 2.87Å
276	F	97.7	Very high	96.9	Very high	1 Å²	1	16.8 Å²	16.8	0%	0.004	7%	0.072	C	C	.	.	H	α-helix	trans	-58.5	-49.1	174.8	-54.8	-40.7	0	0	0	111.1	I225 Q226 L234 W238 G271 H272 C273 G278 V279 M280 A356 T357	I225-F276 HydrophobicContact CG2-CB 3.73Å; I225-F276 HydrophobicContact CG2-CD1 3.9Å; I225-F276 HydrophobicContact CG2-CG 4.14Å; Q226-F276 HydrophobicContact CB-CD1 4.22Å; Q226-F276 HydrophobicContact CB-CE1 4.04Å; Q226-F276 HydrophobicContact CB-CZ 4.25Å; Q226-F276 HydrophobicContact CG-CD1 4.42Å; Q226-F276 HydrophobicContact CG-CE1 3.73Å; Q226-F276 HydrophobicContact CG-CE2 4.26Å; Q226-F276 HydrophobicContact CG-CZ 3.66Å; L234-F276 HydrophobicContact CB-CD1 3.94Å; L234-F276 HydrophobicContact CB-CE1 3.6Å; L234-F276 HydrophobicContact CD1-CD1 3.61Å; L234-F276 HydrophobicContact CD1-CE1 4.04Å; L234-F276 HydrophobicContact CG-CD1 4.43Å; L234-F276 HydrophobicContact CG-CE1 4.44Å; W238-F276 AromaticContact CH2-CE2 3.76Å; W238-F276 HydrophobicContact CH2-CE2 3.76Å; W238-F276 HydrophobicContact CH2-CZ 4.39Å; W238-F276 HydrophobicContact CZ2-CE2 4.44Å; G271-F276 WeakPolarHBondContact O-CZ 3.49Å; H272-F276 WeakPolarHBondContact O-CD2 3.34Å; H272-F276 WeakPolarHBondContact O-CG 3.35Å; H272-F276 PolarHBondContact O-N 2.84Å; C273-F276 PolarHBondContact O-N 3.43Å; F276-G278 VanDerWaalsContact C-N 3.32Å; F276-G278 PolarHBondContact O-N 3.29Å; F276-V279 PolarHBondContact O-N 3.06Å; F276-M280 VanDerWaalsContact O-CB 3.26Å; F276-M280 WeakPolarHBondContact O-CB 3.25Å; F276-M280 PolarHBondContact O-N 3.15Å; F276-A356 HydrophobicContact CB-CB 4.13Å; F276-T357 HydrophobicContact CD2-CG2 4.1Å; F276-T357 HydrophobicContact CE2-CG2 4.13Å
277	A	98.3	Very high	97.2	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.008	4%	0.038	C	C	.	.	H	α-helix	trans	-62.9	-37.3	178.8	0	0	0	0	0	112.7	C273 V275 T281 I293 V333 N335	C273-A277 WeakPolarHBondContact O-CB 3.47Å; C273-A277 PolarHBondContact O-N 3.02Å; V275-A277 PolarHBondContact O-N 3.42Å; A277-T281 WeakPolarHBondContact O-CB 3.42Å; A277-T281 PolarHBondContact O-N 2.99Å; A277-T281 PolarHBondContact O-OG1 3.15Å; A277-I293 HydrophobicContact CB-CD1 4.37Å; A277-I293 HydrophobicContact CB-CG1 4.43Å; A277-I293 HydrophobicContact CB-CG2 4.3Å; A277-V333 HydrophobicContact CB-CB 4.43Å; A277-V333 HydrophobicContact CB-CG1 3.65Å; A277-N335 WeakPolarHBondContact CA-OD1 3.45Å; A277-N335 PolarHBondContact O-ND2 3.44Å
278	G	98.6	Very high	97.4	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-61.3	-49.4	174.3	0	0	0	0	0	112.8	S254 W274 V275 F276 T281 T282	S254-G278 VanDerWaalsContact OG-C 3.25Å; S254-G278 PolarHBondContact OG-O 3Å; W274-G278 PolarHBondContact O-N 2.79Å; V275-G278 PolarHBondContact O-N 2.96Å; F276-G278 VanDerWaalsContact C-N 3.32Å; F276-G278 PolarHBondContact O-N 3.29Å; G278-T281 PolarHBondContact O-N 3.48Å; G278-T282 PolarHBondContact O-N 3.4Å; G278-T282 VanDerWaalsContact O-N 3.12Å; G278-T282 PolarHBondContact O-OG1 3.39Å
279	V	98.6	Very high	97.6	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-67.4	-44.7	178.4	179.8	0	0	0	0	110.9	I225 V233 L234 S254 I257 L258 V275 F276 T281 T282 I283	I225-V279 HydrophobicContact CD1-CB 4.12Å; I225-V279 HydrophobicContact CD1-CG1 3.5Å; V233-V279 HydrophobicContact CG1-CG1 4.33Å; L234-V279 HydrophobicContact CD1-CB 4.36Å; L234-V279 HydrophobicContact CD1-CG2 3.86Å; S254-V279 PolarHBondContact OG-N 3.18Å; I257-V279 HydrophobicContact CB-CG2 4.35Å; I257-V279 HydrophobicContact CD1-CG2 3.81Å; I257-V279 HydrophobicContact CG2-CG2 4.11Å; L258-V279 HydrophobicContact CD1-CG1 4.36Å; L258-V279 HydrophobicContact CD2-CG1 3.74Å; L258-V279 HydrophobicContact CG-CG1 4.01Å; V275-V279 WeakPolarHBondContact O-CG2 3.34Å; V275-V279 PolarHBondContact O-N 2.87Å; F276-V279 PolarHBondContact O-N 3.06Å; V279-T281 VanDerWaalsContact C-N 3.34Å; V279-T281 PolarHBondContact O-N 3.02Å; V279-T282 WeakPolarHBondContact O-CB 3.14Å; V279-T282 PolarHBondContact O-N 3.24Å; V279-I283 HydrophobicContact CG1-CD1 4.32Å; V279-I283 HydrophobicContact CG1-CG1 4.5Å; V279-I283 WeakPolarHBondContact O-CG1 3.5Å; V279-I283 PolarHBondContact O-N 2.88Å
280	M	98.5	Very high	97.8	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-57.4	-45.7	176.6	-175.9	55.8	175.2	0	0	111.7	V218 L221 I225 F276 T282 I283 C284 N335 V354	V218-M280 HydrophobicContact CB-CE 4.19Å; V218-M280 WeakPolarHBondContact O-CE 3.34Å; L221-M280 HydrophobicContact CB-CE 3.76Å; L221-M280 HydrophobicContact CB-SD 3.8Å; I225-M280 HydrophobicContact CG1-CB 4.14Å; I225-M280 HydrophobicContact CG1-SD 4.01Å; F276-M280 VanDerWaalsContact O-CB 3.26Å; F276-M280 WeakPolarHBondContact O-CB 3.25Å; F276-M280 PolarHBondContact O-N 3.15Å; M280-T282 VanDerWaalsContact C-N 3.27Å; M280-T282 PolarHBondContact O-N 3.3Å; M280-I283 PolarHBondContact O-N 3.22Å; M280-C284 VanDerWaalsContact CE-SG 3.56Å; M280-C284 PolarHBondContact O-N 2.83Å; M280-C284 PolarHBondContact O-SG 3.37Å; M280-N335 VanDerWaalsContact CB-OD1 3.25Å; M280-N335 WeakPolarHBondContact CB-OD1 3.45Å; M280-N335 HydrophobicContact CG-CB 4.34Å; M280-N335 VanDerWaalsContact CG-OD1 3.23Å; M280-N335 WeakPolarHBondContact CG-OD1 3.47Å; M280-V354 HydrophobicContact CE-CG1 3.55Å
281	T	98.8	Very high	98	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-57.7	-42.7	174.7	-60	0	0	0	0	111.4	F186 A277 G278 V279 C284 R285 T291 I293 N335	F186-T281 HydrophobicContact CD1-CG2 3.79Å; F186-T281 HydrophobicContact CD2-CG2 4.44Å; F186-T281 HydrophobicContact CE1-CG2 3.52Å; F186-T281 HydrophobicContact CE2-CG2 4.17Å; F186-T281 HydrophobicContact CG-CG2 4.27Å; F186-T281 HydrophobicContact CZ-CG2 3.72Å; A277-T281 WeakPolarHBondContact O-CB 3.42Å; A277-T281 PolarHBondContact O-N 2.99Å; A277-T281 PolarHBondContact O-OG1 3.15Å; G278-T281 PolarHBondContact O-N 3.48Å; V279-T281 VanDerWaalsContact C-N 3.34Å; V279-T281 PolarHBondContact O-N 3.02Å; T281-C284 PolarHBondContact O-N 2.88Å; T281-R285 HydrophobicContact CG2-CG 4.06Å; T281-R285 VanDerWaalsContact O-CB 3.27Å; T281-R285 WeakPolarHBondContact O-CB 3.46Å; T281-R285 VanDerWaalsContact O-CG 3.23Å; T281-R285 WeakPolarHBondContact O-CG 3.47Å; T281-R285 PolarHBondContact O-N 2.93Å; T281-T291 HydrophobicContact CG2-CG2 4.28Å; T281-I293 WeakPolarHBondContact OG1-CD1 3.45Å; T281-I293 WeakPolarHBondContact OG1-CG1 3.44Å; T281-N335 PolarHBondContact OG1-ND2 2.9Å
282	T	98.8	Very high	98.2	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-62.2	-47.5	-179.8	-54.5	0	0	0	0	111.1	F186 Q188 I193 S254 L258 G278 V279 M280 C286	F186-T282 WeakPolarHBondContact CA-OG1 3.39Å; F186-T282 WeakPolarHBondContact O-CG2 3.37Å; F186-T282 PolarHBondContact O-OG1 2.89Å; Q188-T282 HydrophobicContact CB-CG2 4.22Å; I193-T282 HydrophobicContact CG2-CG2 4.12Å; S254-T282 WeakPolarHBondContact CB-OG1 3.23Å; S254-T282 PolarHBondContact OG-OG1 3.35Å; L258-T282 HydrophobicContact CD1-CG2 3.71Å; G278-T282 PolarHBondContact O-N 3.4Å; G278-T282 VanDerWaalsContact O-N 3.12Å; G278-T282 PolarHBondContact O-OG1 3.39Å; V279-T282 WeakPolarHBondContact O-CB 3.14Å; V279-T282 PolarHBondContact O-N 3.24Å; M280-T282 VanDerWaalsContact C-N 3.27Å; M280-T282 PolarHBondContact O-N 3.3Å; T282-C286 WeakPolarHBondContact O-CB 3.4Å; T282-C286 PolarHBondContact O-N 3.04Å
283	I	98.7	Very high	98.4	Very high	1 Å²	1	2.9 Å²	2.9	1%	0.005	1%	0.012	C	C	.	.	H	α-helix	trans	-63.7	-49.5	179.1	-57.8	-179.3	0	0	0	110.6	C197 V200 L221 I225 L258 V279 M280 R285 C286 I287	C197-I283 HydrophobicContact CB-CG2 4.08Å; V200-I283 HydrophobicContact CB-CD1 4.19Å; V200-I283 HydrophobicContact CG1-CD1 3.94Å; V200-I283 HydrophobicContact CG2-CD1 4.11Å; L221-I283 HydrophobicContact CD1-CG2 3.64Å; L221-I283 HydrophobicContact CD2-CG2 3.82Å; L221-I283 HydrophobicContact CG-CG2 4.36Å; I225-I283 HydrophobicContact CD1-CD1 3.59Å; L258-I283 HydrophobicContact CD1-CG1 4.31Å; L258-I283 HydrophobicContact CD2-CD1 4.03Å; L258-I283 HydrophobicContact CD2-CG1 4.1Å; V279-I283 HydrophobicContact CG1-CD1 4.32Å; V279-I283 HydrophobicContact CG1-CG1 4.5Å; V279-I283 WeakPolarHBondContact O-CG1 3.5Å; V279-I283 PolarHBondContact O-N 2.88Å; M280-I283 PolarHBondContact O-N 3.22Å; I283-R285 PolarHBondContact O-N 2.98Å; I283-C286 WeakPolarHBondContact O-CB 3.47Å; I283-C286 PolarHBondContact O-N 3.34Å; I283-I287 WeakPolarHBondContact O-CG1 3.42Å; I283-I287 PolarHBondContact O-N 3.02Å
284	C	98.8	Very high	98.5	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-62	-44.7	-178.5	-69.5	0	0	0	0	112.3	M280 T281 I287 G288 I289 T291	M280-C284 VanDerWaalsContact CE-SG 3.56Å; M280-C284 PolarHBondContact O-N 2.83Å; M280-C284 PolarHBondContact O-SG 3.37Å; T281-C284 PolarHBondContact O-N 2.88Å; C284-I287 WeakPolarHBondContact O-CG1 3.45Å; C284-I287 PolarHBondContact O-N 2.89Å; C284-G288 PolarHBondContact O-N 2.75Å; C284-G288 VanDerWaalsContact O-N 3.11Å; C284-I289 CarbonylContact C-O 3.57Å; C284-I289 HydrophobicContact CB-CB 4.18Å; C284-I289 PolarHBondContact O-N 2.94Å; C284-T291 HydrophobicContact CB-CG2 4.14Å; C284-T291 WeakPolarHBondContact CB-OG1 3.45Å
285	R	98.8	Very high	98.5	Very high	8 Å²	8	1.9 Å²	1.9	3%	0.03	1%	0.008	C	C	.	.	H	α-helix	trans	-61.6	-44.5	174.7	-72	-169.6	-178.9	-168.9	-2.8	111.8	E162 Y163 N166 Q188 T281 I283 I287 G288 T291	E162-R285 PolarHBondContact O-NH1 2.87Å; E162-R285 PolarHBondContact O-NH2 3.26Å; E162-R285 VanDerWaalsContact O-NH2 3.12Å; Y163-R285 VanDerWaalsContact O-CG 3.28Å; Y163-R285 WeakPolarHBondContact O-CG 3.4Å; Y163-R285 PolarHBondContact O-NE 3.02Å; N166-R285 PolarHBondContact O-NH1 2.88Å; Q188-R285 HydrophobicContact CG-CB 4.23Å; T281-R285 HydrophobicContact CG2-CG 4.06Å; T281-R285 VanDerWaalsContact O-CB 3.27Å; T281-R285 WeakPolarHBondContact O-CB 3.46Å; T281-R285 VanDerWaalsContact O-CG 3.23Å; T281-R285 WeakPolarHBondContact O-CG 3.47Å; T281-R285 PolarHBondContact O-N 2.93Å; I283-R285 PolarHBondContact O-N 2.98Å; R285-I287 VanDerWaalsContact C-N 3.29Å; R285-I287 PolarHBondContact O-N 2.92Å; R285-G288 PolarHBondContact O-N 2.86Å; R285-G288 VanDerWaalsContact O-N 3.09Å; R285-T291 PolarHBondContact NE-O 3.28Å; R285-T291 PolarHBondContact NH2-O 3.29Å
286	C	98.8	Very high	98.5	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-55.9	-43.1	176.6	-175.9	0	0	0	0	112.1	F15 L143 Q188 C197 T282 I283 G288	F15-C286 WeakPolarHBondContact CZ-O 3.35Å; L143-C286 WeakPolarHBondContact CD1-O 3.49Å; Q188-C286 HydrophobicContact CB-CB 3.82Å; C197-C286 HydrophobicContact CB-CB 4.16Å; T282-C286 WeakPolarHBondContact O-CB 3.4Å; T282-C286 PolarHBondContact O-N 3.04Å; I283-C286 WeakPolarHBondContact O-CB 3.47Å; I283-C286 PolarHBondContact O-N 3.34Å; C286-G288 VanDerWaalsContact C-N 3.31Å
287	I	98.7	Very high	98.4	Very high	1 Å²	1	1.8 Å²	1.8	1%	0.005	1%	0.008	C	C	.	.	H	α-helix	trans	-86.9	0.4	-178.9	69.2	178.3	0	0	0	113.8	V111 F144 I198 V217 L221 I283 C284 R285 I289	V111-I287 HydrophobicContact CG1-CB 4.26Å; F144-I287 WeakPolarHBondContact CB-O 3.44Å; F144-I287 HydrophobicContact CD2-CD1 4.4Å; F144-I287 HydrophobicContact CD2-CG1 4.25Å; F144-I287 WeakPolarHBondContact CD2-O 3.35Å; F144-I287 HydrophobicContact CE2-CD1 4.25Å; F144-I287 PolarHBondContact N-O 3.21Å; I198-I287 HydrophobicContact CD1-CG2 4.24Å; V217-I287 HydrophobicContact CG1-CD1 3.57Å; L221-I287 HydrophobicContact CD1-CD1 3.86Å; I283-I287 WeakPolarHBondContact O-CG1 3.42Å; I283-I287 PolarHBondContact O-N 3.02Å; C284-I287 WeakPolarHBondContact O-CG1 3.45Å; C284-I287 PolarHBondContact O-N 2.89Å; R285-I287 VanDerWaalsContact C-N 3.29Å; R285-I287 PolarHBondContact O-N 2.92Å; I287-I289 HydrophobicContact CD1-CD1 3.86Å; I287-I289 HydrophobicContact CD1-CG1 4.33Å; I287-I289 HydrophobicContact CG1-CD1 4.2Å; I287-I289 HydrophobicContact CG1-CG1 4.12Å
288	G	98.7	Very high	98.1	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	16.6	174.4	0	0	0	0	0	116	F144 P146 C284 R285 C286	F144-G288 WeakPolarHBondContact CB-O 3.43Å; P146-G288 WeakPolarHBondContact CD-O 3.43Å; C284-G288 PolarHBondContact O-N 2.75Å; C284-G288 VanDerWaalsContact O-N 3.11Å; R285-G288 PolarHBondContact O-N 2.86Å; R285-G288 VanDerWaalsContact O-N 3.09Å; C286-G288 VanDerWaalsContact C-N 3.31Å
289	I	98.8	Very high	97.8	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.019	C	C	.	.			trans	-90.4	115.9	172.3	-58	177.9	0	0	0	108.3	F144 V153 P214 V217 V218 C284 I287 T291 C337 M339	F144-I289 HydrophobicContact CB-CG1 4.41Å; F144-I289 HydrophobicContact CD2-CD1 3.88Å; F144-I289 HydrophobicContact CD2-CG1 3.47Å; F144-I289 VanDerWaalsContact CD2-CG1 3.47Å; F144-I289 HydrophobicContact CE2-CD1 3.76Å; F144-I289 HydrophobicContact CE2-CG1 3.9Å; F144-I289 HydrophobicContact CG-CG1 3.98Å; F144-I289 HydrophobicContact CZ-CD1 4.46Å; V153-I289 HydrophobicContact CG1-CG1 4.27Å; P214-I289 HydrophobicContact CB-CD1 4.08Å; V217-I289 HydrophobicContact CG1-CD1 4.19Å; V218-I289 HydrophobicContact CG1-CD1 3.69Å; V218-I289 HydrophobicContact CG1-CG2 4.39Å; C284-I289 CarbonylContact C-O 3.57Å; C284-I289 HydrophobicContact CB-CB 4.18Å; C284-I289 PolarHBondContact O-N 2.94Å; I287-I289 HydrophobicContact CD1-CD1 3.86Å; I287-I289 HydrophobicContact CD1-CG1 4.33Å; I287-I289 HydrophobicContact CG1-CD1 4.2Å; I287-I289 HydrophobicContact CG1-CG1 4.12Å; I289-T291 PolarHBondContact O-N 2.89Å; I289-T291 VanDerWaalsContact O-N 3.16Å; I289-T291 PolarHBondContact O-OG1 2.9Å; I289-C337 HydrophobicContact CG2-CB 3.91Å; I289-M339 HydrophobicContact CG2-CE 4.47Å
290	P	98.8	Very high	97.3	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.019	C	C	.	.			trans	-59.9	123	178.9	-18	28.9	0	0	0	110.4	P146 M155 V160 Y163 V164 C337 W338	P146-P290 HydrophobicContact CB-CG 3.5Å; P146-P290 VanDerWaalsContact CB-CG 3.5Å; P146-P290 HydrophobicContact CG-CG 4.17Å; M155-P290 HydrophobicContact CB-CG 4.47Å; M155-P290 HydrophobicContact CE-CB 3.54Å; M155-P290 HydrophobicContact CE-CG 4.11Å; M155-P290 HydrophobicContact SD-CB 4.42Å; V160-P290 HydrophobicContact CG2-CG 4.49Å; Y163-P290 WeakPolarHBondContact O-CA 3.23Å; V164-P290 HydrophobicContact CG2-CB 3.85Å; V164-P290 HydrophobicContact CG2-CG 3.8Å; P290-C337 WeakPolarHBondContact O-CA 3.43Å; P290-W338 HydrophobicContact CB-CB 3.9Å; P290-W338 HydrophobicContact CG-CB 4.2Å; P290-W338 PolarHBondContact O-N 3.48Å
291	T	98.7	Very high	96.3	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	139	-170.4	-56.4	0	0	0	0	111.8	Y163 T281 C284 R285 I289 N335 E336	Y163-T291 PolarHBondContact O-N 3.3Å; T281-T291 HydrophobicContact CG2-CG2 4.28Å; C284-T291 HydrophobicContact CB-CG2 4.14Å; C284-T291 WeakPolarHBondContact CB-OG1 3.45Å; R285-T291 PolarHBondContact NE-O 3.28Å; R285-T291 PolarHBondContact NH2-O 3.29Å; I289-T291 PolarHBondContact O-N 2.89Å; I289-T291 VanDerWaalsContact O-N 3.16Å; I289-T291 PolarHBondContact O-OG1 2.9Å; T291-N335 HydrophobicContact CG2-CB 4.12Å; T291-E336 VanDerWaalsContact CA-O 3.29Å; T291-E336 WeakPolarHBondContact CA-O 3.3Å
292	R	98.1	Very high	94.5	Very high	18 Å²	18	6.2 Å²	6.2	7%	0.068	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	160.3	172.6	66.2	-174.9	-174.8	179.8	3.4	111.7	Y163 I294 N335 E336 W351	Y163-R292 HydrophobicContact CD1-CB 3.88Å; Y163-R292 HydrophobicContact CE1-CB 3.88Å; Y163-R292 HydrophobicContact CE1-CG 4.39Å; R292-I294 HydrophobicContact CG-CD1 4.3Å; R292-N335 CarbonylContact O-C 3.59Å; R292-N335 WeakPolarHBondContact O-CA 3.28Å; R292-E336 HydrophobicContact CG-CB 4.04Å; R292-E336 IonicContact CZ-OE2 3.14Å; R292-E336 PolarHBondContact N-O 2.99Å; R292-E336 IonicContact NE-OE2 2.78Å; R292-E336 PolarHBondContact NE-OE2 2.94Å; R292-E336 IonicContact NH2-OE1 2.88Å; R292-E336 IonicContact NH2-OE2 3.99Å; R292-E336 PolarHBondContact NH2-OE2 2.9Å; R292-E336 PolarHBondContact O-N 2.83Å; R292-W351 HydrophobicContact CB-CH2 4.47Å; R292-W351 HydrophobicContact CG-CE3 4.22Å; R292-W351 HydrophobicContact CG-CH2 4.02Å; R292-W351 HydrophobicContact CG-CZ2 4.42Å; R292-W351 HydrophobicContact CG-CZ3 3.92Å; R292-W351 VanDerWaalsContact NH2-CD1 3.34Å
293	I	98.4	Very high	92.5	Very high	9 Å²	9	8.6 Å²	8.6	5%	0.046	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134.1	177.3	-65.1	-178.6	0	0	0	109.1	I171 F186 A277 T281 V333 T413	I171-I293 HydrophobicContact CD1-CD1 3.61Å; I171-I293 HydrophobicContact CG1-CD1 3.68Å; I171-I293 HydrophobicContact CG1-CG2 4.27Å; I171-I293 HydrophobicContact CG2-CG2 4.09Å; F186-I293 HydrophobicContact CE1-CD1 3.68Å; F186-I293 HydrophobicContact CZ-CD1 3.95Å; A277-I293 HydrophobicContact CB-CD1 4.37Å; A277-I293 HydrophobicContact CB-CG1 4.43Å; A277-I293 HydrophobicContact CB-CG2 4.3Å; T281-I293 WeakPolarHBondContact OG1-CD1 3.45Å; T281-I293 WeakPolarHBondContact OG1-CG1 3.44Å; I293-V333 HydrophobicContact CG2-CG1 3.27Å; I293-T413 VanDerWaalsContact O-CB 3.28Å; I293-T413 WeakPolarHBondContact O-CB 3.49Å; I293-T413 PolarHBondContact O-OG1 2.85Å
294	I	98.2	Very high	90.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.7	174	-57.2	-52.9	0	0	0	108.9	R292 V333 W334 E336 L411 T412 T413 V431	R292-I294 HydrophobicContact CG-CD1 4.3Å; I294-V333 VanDerWaalsContact O-CA 3.28Å; I294-V333 WeakPolarHBondContact O-CA 3.09Å; I294-V333 WeakPolarHBondContact O-CG1 3.28Å; I294-W334 HydrophobicContact CB-CD2 4.44Å; I294-W334 HydrophobicContact CB-CG 4.38Å; I294-W334 HydrophobicContact CG2-CD2 4.49Å; I294-W334 HydrophobicContact CG2-CZ2 3.84Å; I294-W334 PolarHBondContact N-O 3Å; I294-W334 PolarHBondContact O-N 3.17Å; I294-E336 HydrophobicContact CD1-CG 4.36Å; I294-E336 WeakPolarHBondContact CD1-OE2 3.28Å; I294-E336 HydrophobicContact CG1-CB 4.47Å; I294-E336 HydrophobicContact CG1-CG 3.7Å; I294-L411 HydrophobicContact CG2-CB 4.42Å; I294-L411 HydrophobicContact CG2-CD2 4.41Å; I294-T412 WeakPolarHBondContact CA-O 3.49Å; I294-T413 HydrophobicContact CD1-CG2 4.24Å; I294-V431 HydrophobicContact CD1-CG2 4.05Å
295	T	98.1	Very high	88.8	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.5	167	-59.3	0	0	0	0	108.6	W172 Y297 Y331 H332 V333 L411 T412	W172-T295 HydrophobicContact CB-CG2 4.15Å; W172-T295 PolarHBondContact N-OG1 3.46Å; W172-T295 WeakPolarHBondContact O-CG2 3.22Å; W172-T295 PolarHBondContact O-OG1 3.17Å; T295-Y297 HydrophobicContact CG2-CD2 4.32Å; T295-Y297 HydrophobicContact CG2-CE1 4.27Å; T295-Y297 HydrophobicContact CG2-CE2 3.83Å; T295-Y331 HydrophobicContact CG2-CD2 4.28Å; T295-H332 WeakPolarHBondContact CA-O 3.17Å; T295-V333 HydrophobicContact CG2-CG2 4.33Å; T295-L411 CarbonylContact O-C 3.58Å; T295-L411 VanDerWaalsContact O-CA 3.28Å; T295-L411 WeakPolarHBondContact O-CA 3.3Å; T295-T412 PolarHBondContact N-O 3.16Å; T295-T412 PolarHBondContact O-N 3.08Å
296	C	96.7	Very high	87.2	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.1	172.7	179.5	0	0	0	0	109.7	A299 Y331 H332 W334 L411	C296-A299 HydrophobicContact CB-CB 4.35Å; C296-Y331 CarbonylContact O-C 3.53Å; C296-Y331 WeakPolarHBondContact O-CA 3.26Å; C296-Y331 WeakPolarHBondContact O-CB 3.22Å; C296-H332 PolarHBondContact N-O 3.27Å; C296-H332 PolarHBondContact O-N 2.96Å; C296-W334 HydrophobicContact CB-CE3 4.39Å; C296-W334 HydrophobicContact CB-CH2 3.2Å; C296-W334 HydrophobicContact CB-CZ2 4.09Å; C296-W334 HydrophobicContact CB-CZ3 3.37Å; C296-L411 HydrophobicContact CB-CD2 4.4Å; C296-L411 HydrophobicContact CB-CG 4.08Å
297	Y	96.1	Very high	86.1	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	146.8	176.9	-64.6	-87.2	0	0	0	111.3	W172 R173 S175 S176 P179 T295 A299 S330 T409 C410	W172-Y297 WeakPolarHBondContact CB-OH 3.2Å; R173-Y297 WeakPolarHBondContact O-CE1 3.48Å; R173-Y297 PolarHBondContact O-OH 3.35Å; S175-Y297 WeakPolarHBondContact O-CE1 3.28Å; S176-Y297 VanDerWaalsContact N-CD1 3.29Å; P179-Y297 WeakPolarHBondContact CA-OH 3.1Å; P179-Y297 HydrophobicContact CB-CE2 4.49Å; P179-Y297 WeakPolarHBondContact CB-OH 2.73Å; T295-Y297 HydrophobicContact CG2-CD2 4.32Å; T295-Y297 HydrophobicContact CG2-CE1 4.27Å; T295-Y297 HydrophobicContact CG2-CE2 3.83Å; Y297-A299 VanDerWaalsContact C-N 3.29Å; Y297-S330 WeakPolarHBondContact CA-O 3.39Å; Y297-T409 WeakPolarHBondContact CB-O 3.32Å; Y297-T409 WeakPolarHBondContact CB-OG1 3.34Å; Y297-T409 PolarHBondContact N-O 2.72Å; Y297-T409 PolarHBondContact O-N 3.28Å; Y297-T409 PolarHBondContact O-OG1 3.41Å; Y297-C410 HydrophobicContact CD2-CB 3.75Å; Y297-C410 VanDerWaalsContact CD2-O 3.3Å; Y297-C410 WeakPolarHBondContact CD2-O 3.17Å; Y297-C410 HydrophobicContact CE2-CB 4.37Å
298	Q	93.5	Very high	85.3	Confident	52 Å²	52	24.1 Å²	24.1	24%	0.243	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.3	49	-170.7	-56.6	-68.3	-66.2	0	0	110.8	I328 W329 S330 G406 I407 G408	Q298-I328 HydrophobicContact CB-CG2 4.14Å; Q298-W329 CarbonylContact C-O 3.54Å; Q298-W329 WeakPolarHBondContact CA-O 3.33Å; Q298-W329 PolarHBondContact N-O 3.49Å; Q298-S330 PolarHBondContact N-O 2.81Å; Q298-G406 VanDerWaalsContact CB-O 3.23Å; Q298-G406 WeakPolarHBondContact CB-O 3.13Å; Q298-I407 CarbonylContact O-C 3.54Å; Q298-I407 VanDerWaalsContact O-CA 3.31Å; Q298-I407 WeakPolarHBondContact O-CA 3.18Å; Q298-I407 WeakPolarHBondContact O-CG2 3.1Å; Q298-G408 PolarHBondContact O-N 2.91Å
299	A	91.7	Very high	84.4	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126	179.7	0	0	0	0	0	109.2	C296 Y297 W329 H332 E381	C296-A299 HydrophobicContact CB-CB 4.35Å; Y297-A299 VanDerWaalsContact C-N 3.29Å; A299-W329 HydrophobicContact CB-CB 4.35Å; A299-W329 PolarHBondContact N-O 3.17Å; A299-W329 PolarHBondContact O-N 2.93Å; A299-H332 HydrophobicContact CB-CB 3.56Å; A299-E381 HydrophobicContact CB-CG 3.98Å; A299-E381 WeakPolarHBondContact CB-OE1 3.19Å
300	A	87.5	Confident	83.9	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	131.5	176.5	0	0	0	0	0	109.8	E381 A384 I407	A300-E381 PolarHBondContact N-O 3.5Å; A300-E381 VanDerWaalsContact N-O 3.13Å; A300-E381 VanDerWaalsContact O-CA 3.25Å; A300-E381 WeakPolarHBondContact O-CA 3.36Å; A300-E381 WeakPolarHBondContact O-CB 3.49Å; A300-E381 WeakPolarHBondContact O-CG 3.19Å; A300-A384 HydrophobicContact CB-CB 4.14Å; A300-I407 HydrophobicContact CB-CD1 4.01Å; A300-I407 HydrophobicContact CB-CG1 4.17Å; A300-I407 HydrophobicContact CB-CG2 3.56Å
301	H	77.6	Confident	83.4	Confident	27 Å²	27	27 Å²	27	13%	0.125	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	76.3	163.4	-174.7	-140	0	0	0	105.8	S303 K327 W329 Q359 E360	H301-S303 PolarHBondContact O-N 3.12Å; H301-K327 HydrophobicContact CB-CB 4.19Å; H301-K327 WeakPolarHBondContact CB-O 3.1Å; H301-K327 PolarHBondContact N-O 3.45Å; H301-K327 PolarHBondContact O-N 2.8Å; H301-W329 AromaticContact CG-NE1 3.91Å; H301-W329 AromaticContact ND1-NE1 3.96Å; H301-Q359 PolarHBondContact CD2-OE1 3.3Å; H301-Q359 VanDerWaalsContact NE2-C 3.28Å; H301-Q359 WeakPolarHBondContact NE2-CA 3.31Å; H301-Q359 WeakPolarHBondContact NE2-CB 3.49Å; H301-Q359 PolarHBondContact NE2-O 3.38Å; H301-E360 IonicContact CE1-OE1 2.73Å; H301-E360 IonicContact NE2-OE1 2.8Å
302	D	61.2	Low	83	Confident	14 Å²	14	28.1 Å²	28.1	8%	0.075	14%	0.144	C	C	.	.			trans	-76.1	111.5	-179.3	175.5	-2.2	0	0	0	108.5	E304 K305 L306 M307 A380	D302-E304 VanDerWaalsContact C-N 3.34Å; D302-E304 PolarHBondContact OD1-N 2.48Å; D302-K305 VanDerWaalsContact CG-N 3.32Å; D302-K305 PolarHBondContact OD1-N 2.99Å; D302-K305 VanDerWaalsContact OD2-CA 3.27Å; D302-K305 WeakPolarHBondContact OD2-CA 3.49Å; D302-K305 PolarHBondContact OD2-N 2.98Å; D302-L306 PolarHBondContact OD2-N 3.36Å; D302-M307 PolarHBondContact OD2-N 2.65Å; D302-A380 HydrophobicContact CB-CB 3.93Å
303	S	55.7	Low	82.6	Confident	49 Å²	49	28.9 Å²	28.9	34%	0.343	15%	0.149	S	C	.	.	S	Bend	trans	-76.4	-23.9	-177.8	58.9	0	0	0	0	112.6	H301 D326	H301-S303 PolarHBondContact O-N 3.12Å; S303-D326 PolarHBondContact N-OD1 3.28Å; S303-D326 VanDerWaalsContact N-OD1 3.14Å; S303-D326 PolarHBondContact OG-OD1 2.83Å
304	E	59	Low	82.2	Confident	121 Å²	121	33 Å²	33	57%	0.565	16%	0.164	S	C	*	.	S	Bend	trans	-106.2	-10.2	-171.2	-56.9	-161.7	161.9	0	0	113.6	D302 L306	D302-E304 VanDerWaalsContact C-N 3.34Å; D302-E304 PolarHBondContact OD1-N 2.48Å; E304-L306 HydrophobicContact CB-CD1 3.92Å; E304-L306 HydrophobicContact CB-CG 3.93Å; E304-L306 PolarHBondContact O-N 2.87Å; E304-L306 WeakPolarHBondContact OE2-CD1 3.21Å
305	K	61.9	Low	81.7	Confident	98 Å²	98	38.8 Å²	38.8	43%	0.426	19%	0.189	S	C	.	.			trans	59.8	30	-179.2	-53.3	174.4	-176	175.4	0	112.8	D302 M307	D302-K305 VanDerWaalsContact CG-N 3.32Å; D302-K305 PolarHBondContact OD1-N 2.99Å; D302-K305 VanDerWaalsContact OD2-CA 3.27Å; D302-K305 WeakPolarHBondContact OD2-CA 3.49Å; D302-K305 PolarHBondContact OD2-N 2.98Å; K305-M307 VanDerWaalsContact C-N 3.32Å
306	L	64	Low	81.3	Confident	71 Å²	71	42.9 Å²	42.9	37%	0.372	22%	0.218	S	C	.	.	S	Bend	trans	-89.7	6.2	-176.2	-68.6	177	0	0	0	113.3	D302 E304 A308	D302-L306 PolarHBondContact OD2-N 3.36Å; E304-L306 HydrophobicContact CB-CD1 3.92Å; E304-L306 HydrophobicContact CB-CG 3.93Å; E304-L306 PolarHBondContact O-N 2.87Å; E304-L306 WeakPolarHBondContact OE2-CD1 3.21Å; L306-A308 PolarHBondContact O-N 2.78Å; L306-A308 VanDerWaalsContact O-N 3.16Å
307	M	76.6	Confident	80.8	Confident	21 Å²	21	45.7 Å²	45.7	10%	0.103	25%	0.247	C	C	.	.	S	Bend	trans	58.8	23.5	-177.6	-67.3	-72.3	-59.6	0	0	112.6	D302 K305 I379 A380 N383 A384 E385 L437 I445	D302-M307 PolarHBondContact OD2-N 2.65Å; K305-M307 VanDerWaalsContact C-N 3.32Å; M307-I379 HydrophobicContact CE-CG2 3.71Å; M307-I379 HydrophobicContact SD-CB 4.4Å; M307-I379 HydrophobicContact SD-CG2 3.54Å; M307-I379 VanDerWaalsContact SD-CG2 3.54Å; M307-A380 HydrophobicContact SD-CB 4.2Å; M307-N383 HydrophobicContact CE-CB 3.67Å; M307-A384 CarbonylContact O-C 3.59Å; M307-A384 WeakPolarHBondContact O-CA 3.37Å; M307-E385 PolarHBondContact O-N 2.92Å; M307-L437 HydrophobicContact CE-CD1 4.26Å; M307-I445 HydrophobicContact CG-CG2 3.83Å; M307-I445 HydrophobicContact SD-CG2 4.45Å
308	A	81	Confident	80.5	Confident	25 Å²	25	53 Å²	53	21%	0.207	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.8	175.5	0	0	0	0	0	107.5	L306 E385	L306-A308 PolarHBondContact O-N 2.78Å; L306-A308 VanDerWaalsContact O-N 3.16Å; A308-E385 CarbonylContact C-O 3.51Å; A308-E385 WeakPolarHBondContact CA-O 3.25Å
309	T	81.8	Confident	80.2	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	115.6	175.3	-56.2	0	0	0	0	107	D326 I328 E385 C387	T309-D326 HydrophobicContact CG2-CB 3.56Å; T309-I328 HydrophobicContact CG2-CD1 3.85Å; T309-I328 HydrophobicContact CG2-CG1 3.64Å; T309-E385 PolarHBondContact N-O 2.96Å; T309-C387 PolarHBondContact O-N 3.36Å
310	D	87	Confident	80	Confident	49 Å²	49	54.7 Å²	54.7	26%	0.262	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	132	-174.7	-65.9	-54.4	0	0	0	110.9	T324 C387 W389	D310-T324 WeakPolarHBondContact O-CG2 3.34Å; D310-C387 WeakPolarHBondContact OD1-CB 3.12Å; D310-W389 PolarHBondContact OD1-NE1 2.6Å
311	V	88.5	Confident	79.8	Confident	12 Å²	12	63 Å²	63	7%	0.073	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	107.4	175.1	-178.9	0	0	0	0	107.9	I313 V319 I328 K386 C387 Y388 W389	V311-I313 HydrophobicContact CG1-CG1 4.32Å; V311-V319 HydrophobicContact CG1-CG1 4.3Å; V311-V319 HydrophobicContact CG1-CG2 4.12Å; V311-I328 HydrophobicContact CG2-CD1 3.88Å; V311-K386 HydrophobicContact CG2-CG 4.16Å; V311-C387 PolarHBondContact N-O 3.04Å; V311-Y388 HydrophobicContact CB-CD1 4.19Å; V311-Y388 HydrophobicContact CB-CE1 4.46Å; V311-Y388 HydrophobicContact CG1-CD1 4.29Å; V311-Y388 HydrophobicContact CG1-CE1 4.43Å; V311-Y388 WeakPolarHBondContact O-CA 3.17Å; V311-W389 PolarHBondContact O-N 2.86Å
312	H	90.2	Very high	80	Confident	23 Å²	23	68.6 Å²	68.6	11%	0.106	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130.1	-179.8	-65.5	-98.3	0	0	0	109.3	V319 D320 E323 T324 W389 E397	H312-V319 CarbonylContact O-C 3.51Å; H312-V319 VanDerWaalsContact O-CA 3.28Å; H312-V319 WeakPolarHBondContact O-CA 3.45Å; H312-D320 HydrophobicContact CB-CB 3.86Å; H312-D320 PolarHBondContact O-N 3.5Å; H312-E323 HydrophobicContact CB-CB 3.84Å; H312-E323 PolarHBondContact CD2-O 3.3Å; H312-T324 PolarHBondContact N-OG1 3.03Å; H312-W389 CarbonylContact C-O 3.57Å; H312-E397 IonicContact CE1-OE1 3.98Å; H312-E397 IonicContact CE1-OE2 3.4Å; H312-E397 PolarHBondContact CE1-OE2 3.18Å; H312-E397 IonicContact CG-OE1 2.81Å; H312-E397 VanDerWaalsContact ND1-CD 3.3Å; H312-E397 IonicContact ND1-OE1 2.88Å; H312-E397 PolarHBondContact ND1-OE1 3.42Å; H312-E397 IonicContact ND1-OE2 3.02Å; H312-E397 PolarHBondContact ND1-OE2 2.79Å
313	I	90.8	Very high	80.9	Confident	35 Å²	35	73.1 Å²	73.1	18%	0.179	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.4	-177.8	-60.2	176.3	0	0	0	107.8	V311 K318 Y388 W389 V390 E391	V311-I313 HydrophobicContact CG1-CG1 4.32Å; I313-K318 WeakPolarHBondContact CA-O 3.45Å; I313-Y388 HydrophobicContact CD1-CD1 3.91Å; I313-W389 PolarHBondContact N-O 3.21Å; I313-V390 HydrophobicContact CB-CG2 4.15Å; I313-V390 HydrophobicContact CD1-CG2 4.39Å; I313-V390 WeakPolarHBondContact O-CA 3.47Å; I313-E391 PolarHBondContact O-N 3.26Å
314	R	90.1	Very high	82	Confident	95 Å²	95	72 Å²	72	36%	0.358	37%	0.368	S	S	.	.			trans	-62.2	160.5	175.2	-62.1	-167	-179.9	-157.5	2.9	110.4	S316 G317 K318 D320 E322 E391	R314-S316 PolarHBondContact O-N 2.86Å; R314-G317 PolarHBondContact O-N 2.71Å; R314-K318 PolarHBondContact N-O 3.03Å; R314-D320 HydrophobicContact CG-CB 3.81Å; R314-D320 WeakPolarHBondContact CG-OD2 3.37Å; R314-D320 IonicContact CZ-OD1 2.88Å; R314-D320 IonicContact CZ-OD2 3.54Å; R314-D320 IonicContact NE-OD1 3.21Å; R314-D320 PolarHBondContact NE-OD1 3.43Å; R314-D320 IonicContact NE-OD2 3.54Å; R314-D320 PolarHBondContact NE-OD2 3.04Å; R314-D320 VanDerWaalsContact NH2-CG 3.3Å; R314-D320 IonicContact NH2-OD1 3.65Å; R314-D320 PolarHBondContact NH2-OD1 2.99Å; R314-D320 IonicContact NH2-OD2 3.11Å; R314-D320 PolarHBondContact NH2-OD2 3.09Å; R314-D320 VanDerWaalsContact NH2-OD2 3.11Å; R314-E322 IonicContact NH2-OE2 2.7Å; R314-E322 PolarHBondContact NH2-OE2 3.11Å; R314-E391 WeakPolarHBondContact CA-OE2 3.34Å
315	K	87.6	Confident	82.8	Confident	122 Å²	122	72.1 Å²	72.1	53%	0.53	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-27.4	173.9	-176.5	178.9	-178	175.7	0	113.8	G317 E391	K315-G317 PolarHBondContact O-N 3.39Å; K315-E391 PolarHBondContact N-OE2 2.98Å
316	S	87.8	Confident	83.4	Confident	85 Å²	85	68.1 Å²	68.1	59%	0.594	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.6	175.3	70.8	0	0	0	0	115	R314 K318	R314-S316 PolarHBondContact O-N 2.86Å; S316-K318 VanDerWaalsContact C-N 3.28Å; S316-K318 PolarHBondContact OG-N 3.11Å
317	G	87.3	Confident	84.2	Confident	59 Å²	59	71.1 Å²	71.1	61%	0.608	37%	0.366	S	S	*	.	S	Bend	trans	81.9	1.6	-172.4	0	0	0	0	0	114.2	R314 K315	R314-G317 PolarHBondContact O-N 2.71Å; K315-G317 PolarHBondContact O-N 3.39Å
318	K	90	Very high	84.7	Confident	153 Å²	153	72.1 Å²	72.1	67%	0.665	37%	0.371	S	S	*	.	S	Bend	trans	-89.3	148.1	173.9	-63.2	-175.9	177.9	-177.1	0	110.6	I313 R314 S316 D320	I313-K318 WeakPolarHBondContact CA-O 3.45Å; R314-K318 PolarHBondContact N-O 3.03Å; S316-K318 VanDerWaalsContact C-N 3.28Å; S316-K318 PolarHBondContact OG-N 3.11Å; K318-D320 PolarHBondContact O-N 3.19Å
319	V	87.7	Confident	85.1	Confident	74 Å²	74	73.5 Å²	73.5	45%	0.448	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-62	134.9	170.6	178.2	0	0	0	0	108.9	V311 H312 E321 T324	V311-V319 HydrophobicContact CG1-CG1 4.3Å; V311-V319 HydrophobicContact CG1-CG2 4.12Å; H312-V319 CarbonylContact O-C 3.51Å; H312-V319 VanDerWaalsContact O-CA 3.28Å; H312-V319 WeakPolarHBondContact O-CA 3.45Å; V319-E321 PolarHBondContact O-N 3.31Å; V319-T324 HydrophobicContact CG1-CG2 4.27Å; V319-T324 WeakPolarHBondContact CG1-OG1 3.08Å
320	D	86.7	Confident	85.6	Confident	15 Å²	15	76.6 Å²	76.6	8%	0.08	39%	0.392	C	S	.	.			trans	-79.7	100	169.4	-162.2	-28.2	0	0	0	108.9	H312 R314 K318 E322 E323 T324	H312-D320 HydrophobicContact CB-CB 3.86Å; H312-D320 PolarHBondContact O-N 3.5Å; R314-D320 HydrophobicContact CG-CB 3.81Å; R314-D320 WeakPolarHBondContact CG-OD2 3.37Å; R314-D320 IonicContact CZ-OD1 2.88Å; R314-D320 IonicContact CZ-OD2 3.54Å; R314-D320 IonicContact NE-OD1 3.21Å; R314-D320 PolarHBondContact NE-OD1 3.43Å; R314-D320 IonicContact NE-OD2 3.54Å; R314-D320 PolarHBondContact NE-OD2 3.04Å; R314-D320 VanDerWaalsContact NH2-CG 3.3Å; R314-D320 IonicContact NH2-OD1 3.65Å; R314-D320 PolarHBondContact NH2-OD1 2.99Å; R314-D320 IonicContact NH2-OD2 3.11Å; R314-D320 PolarHBondContact NH2-OD2 3.09Å; R314-D320 VanDerWaalsContact NH2-OD2 3.11Å; K318-D320 PolarHBondContact O-N 3.19Å; D320-E322 PolarHBondContact O-N 2.83Å; D320-E322 WeakPolarHBondContact OD1-CB 3.47Å; D320-E322 PolarHBondContact OD1-N 3.25Å; D320-E323 HydrophobicContact CB-CB 4.14Å; D320-E323 PolarHBondContact OD1-N 3.26Å; D320-T324 WeakPolarHBondContact O-CB 3.37Å; D320-T324 PolarHBondContact O-N 2.85Å; D320-T324 PolarHBondContact O-OG1 2.91Å
321	E	83.5	Confident	86	Confident	175 Å²	175	75.8 Å²	75.8	82%	0.818	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.5	179.2	-64.2	-176	177.9	0	0	112.9	V319	V319-E321 PolarHBondContact O-N 3.31Å
322	E	81.3	Confident	86.3	Confident	144 Å²	144	75.2 Å²	75.2	67%	0.673	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-41.3	179.2	-65.1	176.4	148.8	0	0	111.1	R314 D320	R314-E322 IonicContact NH2-OE2 2.7Å; R314-E322 PolarHBondContact NH2-OE2 3.11Å; D320-E322 PolarHBondContact O-N 2.83Å; D320-E322 WeakPolarHBondContact OD1-CB 3.47Å; D320-E322 PolarHBondContact OD1-N 3.25Å
323	E	80.4	Confident	86.7	Confident	110 Å²	110	74.1 Å²	74.1	51%	0.514	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-27.2	179.1	-62.2	-64.7	153.1	0	0	112.8	H312 D320 L325	H312-E323 HydrophobicContact CB-CB 3.84Å; H312-E323 PolarHBondContact CD2-O 3.3Å; D320-E323 HydrophobicContact CB-CB 4.14Å; D320-E323 PolarHBondContact OD1-N 3.26Å; E323-L325 VanDerWaalsContact C-N 3.28Å; E323-L325 PolarHBondContact O-N 2.93Å
324	T	79.5	Confident	87	Confident	24 Å²	24	72.6 Å²	72.6	15%	0.147	37%	0.369	C	S	.	.			trans	-78.6	78.1	175	-55.1	0	0	0	0	110.1	D310 H312 V319 D320	D310-T324 WeakPolarHBondContact O-CG2 3.34Å; H312-T324 PolarHBondContact N-OG1 3.03Å; V319-T324 HydrophobicContact CG1-CG2 4.27Å; V319-T324 WeakPolarHBondContact CG1-OG1 3.08Å; D320-T324 WeakPolarHBondContact O-CB 3.37Å; D320-T324 PolarHBondContact O-N 2.85Å; D320-T324 PolarHBondContact O-OG1 2.91Å
325	L	75.8	Confident	87.4	Confident	125 Å²	125	68.1 Å²	68.1	65%	0.654	35%	0.353	S	S	*	.			trans	-68.6	-38.4	-179.5	-62.6	179.7	0	0	0	112.2	E323	E323-L325 VanDerWaalsContact C-N 3.28Å; E323-L325 PolarHBondContact O-N 2.93Å
326	D	74.9	Confident	87.9	Confident	13 Å²	13	62.6 Å²	62.6	7%	0.07	33%	0.329	C	S	.	.	S	Bend	trans	-73.5	138.5	178.3	-67.4	-36	0	0	0	111.7	S303 T309	S303-D326 PolarHBondContact N-OD1 3.28Å; S303-D326 VanDerWaalsContact N-OD1 3.14Å; S303-D326 PolarHBondContact OG-OD1 2.83Å; T309-D326 HydrophobicContact CG2-CB 3.56Å
327	K	80.9	Confident	88.4	Confident	135 Å²	135	58.6 Å²	58.6	59%	0.587	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.7	-179.7	-66.7	-178.6	-177.4	174.9	0	110.8	H301	H301-K327 HydrophobicContact CB-CB 4.19Å; H301-K327 WeakPolarHBondContact CB-O 3.1Å; H301-K327 PolarHBondContact N-O 3.45Å; H301-K327 PolarHBondContact O-N 2.8Å
328	I	86.6	Confident	88.9	Confident	42 Å²	42	58.9 Å²	58.9	22%	0.215	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	108.9	168.3	-57	172.4	0	0	0	108.4	Q298 T309 V311 K386 I407	Q298-I328 HydrophobicContact CB-CG2 4.14Å; T309-I328 HydrophobicContact CG2-CD1 3.85Å; T309-I328 HydrophobicContact CG2-CG1 3.64Å; V311-I328 HydrophobicContact CG2-CD1 3.88Å; I328-K386 HydrophobicContact CD1-CD 3.7Å; I328-K386 HydrophobicContact CD1-CG 4.03Å; I328-I407 HydrophobicContact CD1-CD1 3.78Å; I328-I407 HydrophobicContact CG1-CD1 3.89Å; I328-I407 HydrophobicContact CG2-CD1 4Å
329	W	89.3	Confident	89.2	Confident	53 Å²	53	51.7 Å²	51.7	20%	0.201	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	131.8	178.7	-68.3	55.7	0	0	0	109.1	W238 Q298 A299 H301 Y331	W238-W329 AromaticContact CE2-CH2 3.54Å; W238-W329 AromaticContact CE2-CZ3 3.87Å; W238-W329 HydrophobicContact CH2-CH2 4.49Å; W238-W329 AromaticContact CZ2-CH2 3.53Å; W238-W329 HydrophobicContact CZ2-CH2 3.53Å; W238-W329 AromaticContact CZ2-CZ3 3.89Å; W238-W329 HydrophobicContact CZ2-CZ3 3.89Å; W238-W329 AromaticContact NE1-CH2 3.34Å; W238-W329 VanDerWaalsContact NE1-CH2 3.34Å; W238-W329 AromaticContact NE1-CZ3 3.35Å; W238-W329 VanDerWaalsContact NE1-CZ3 3.35Å; Q298-W329 CarbonylContact C-O 3.54Å; Q298-W329 WeakPolarHBondContact CA-O 3.33Å; Q298-W329 PolarHBondContact N-O 3.49Å; A299-W329 HydrophobicContact CB-CB 4.35Å; A299-W329 PolarHBondContact N-O 3.17Å; A299-W329 PolarHBondContact O-N 2.93Å; H301-W329 AromaticContact CG-NE1 3.91Å; H301-W329 AromaticContact ND1-NE1 3.96Å; W329-Y331 PolarHBondContact O-N 2.73Å
330	S	92.3	Very high	89.6	Confident	65 Å²	65	51.2 Å²	51.2	46%	0.455	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	-41.5	175	58.8	0	0	0	0	111.3	Y297 Q298	Y297-S330 WeakPolarHBondContact CA-O 3.39Å; Q298-S330 PolarHBondContact N-O 2.81Å
331	Y	95	Very high	89.8	Confident	32 Å²	32	52 Å²	52	13%	0.125	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	153.4	163.1	64.6	-79.3	0	0	0	110.8	R173 G174 W274 T295 C296 W329 V333	R173-Y331 HydrophobicContact CB-CE1 4.16Å; R173-Y331 HydrophobicContact CB-CE2 4.02Å; R173-Y331 WeakPolarHBondContact CD-OH 3.39Å; R173-Y331 HydrophobicContact CG-CE2 3.77Å; G174-Y331 VanDerWaalsContact O-CD1 3.27Å; G174-Y331 WeakPolarHBondContact O-CD1 3.42Å; W274-Y331 AromaticContact CE3-CE2 3.89Å; W274-Y331 HydrophobicContact CE3-CE2 3.89Å; W274-Y331 HydrophobicContact CZ3-CE2 4.25Å; W274-Y331 WeakPolarHBondContact CZ3-OH 3.37Å; T295-Y331 HydrophobicContact CG2-CD2 4.28Å; C296-Y331 CarbonylContact O-C 3.53Å; C296-Y331 WeakPolarHBondContact O-CA 3.26Å; C296-Y331 WeakPolarHBondContact O-CB 3.22Å; W329-Y331 PolarHBondContact O-N 2.73Å; Y331-V333 HydrophobicContact CD2-CG2 3.83Å; Y331-V333 HydrophobicContact CE2-CG2 4.12Å
332	H	95.6	Very high	90	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	153.2	167.7	-171.2	45.4	0	0	0	110.3	C273 T295 C296 A299 W334 D355 T357 Q359 E381	C273-H332 WeakPolarHBondContact CB-CE1 3.44Å; C273-H332 VanDerWaalsContact CB-ND1 3.26Å; C273-H332 WeakPolarHBondContact CB-ND1 3.2Å; T295-H332 WeakPolarHBondContact CA-O 3.17Å; C296-H332 PolarHBondContact N-O 3.27Å; C296-H332 PolarHBondContact O-N 2.96Å; A299-H332 HydrophobicContact CB-CB 3.56Å; H332-W334 HydrophobicContact CB-CZ3 4.48Å; H332-W334 AromaticContact CD2-CE3 3.56Å; H332-W334 AromaticContact CD2-CZ3 3.96Å; H332-D355 IonicContact CD2-OD2 3.7Å; H332-D355 IonicContact CE1-OD2 2.91Å; H332-D355 IonicContact NE2-OD1 3.8Å; H332-D355 IonicContact NE2-OD2 3.46Å; H332-D355 PolarHBondContact NE2-OD2 3.06Å; H332-T357 PolarHBondContact CE1-OG1 2.85Å; H332-T357 VanDerWaalsContact CE1-OG1 3.28Å; H332-Q359 PolarHBondContact NE2-NE2 3.36Å; H332-E381 WeakPolarHBondContact CB-OE1 3.27Å; H332-E381 IonicContact CD2-OE1 2.89Å; H332-E381 PolarHBondContact CD2-OE1 2.88Å; H332-E381 IonicContact CD2-OE2 2.86Å; H332-E381 IonicContact CG-OE1 2.66Å; H332-E381 IonicContact NE2-OE1 3.83Å
333	V	97.2	Very high	90.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.5	-174.5	-171.5	0	0	0	0	110.4	I171 C273 W274 A277 I293 I294 T295 Y331	I171-V333 HydrophobicContact CG2-CG1 3.86Å; I171-V333 HydrophobicContact CG2-CG2 4.19Å; C273-V333 HydrophobicContact CB-CB 4.4Å; W274-V333 HydrophobicContact CB-CB 4.32Å; W274-V333 HydrophobicContact CB-CG1 4.45Å; W274-V333 HydrophobicContact CB-CG2 4.08Å; A277-V333 HydrophobicContact CB-CB 4.43Å; A277-V333 HydrophobicContact CB-CG1 3.65Å; I293-V333 HydrophobicContact CG2-CG1 3.27Å; I294-V333 VanDerWaalsContact O-CA 3.28Å; I294-V333 WeakPolarHBondContact O-CA 3.09Å; I294-V333 WeakPolarHBondContact O-CG1 3.28Å; T295-V333 HydrophobicContact CG2-CG2 4.33Å; Y331-V333 HydrophobicContact CD2-CG2 3.83Å; Y331-V333 HydrophobicContact CE2-CG2 4.12Å
334	W	97.3	Very high	90.5	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	-176.8	176.4	61.9	80.6	0	0	0	111.6	I294 C296 H332 V353 D355 E381 V382 L411 Y435	I294-W334 HydrophobicContact CB-CD2 4.44Å; I294-W334 HydrophobicContact CB-CG 4.38Å; I294-W334 HydrophobicContact CG2-CD2 4.49Å; I294-W334 HydrophobicContact CG2-CZ2 3.84Å; I294-W334 PolarHBondContact N-O 3Å; I294-W334 PolarHBondContact O-N 3.17Å; C296-W334 HydrophobicContact CB-CE3 4.39Å; C296-W334 HydrophobicContact CB-CH2 3.2Å; C296-W334 HydrophobicContact CB-CZ2 4.09Å; C296-W334 HydrophobicContact CB-CZ3 3.37Å; H332-W334 HydrophobicContact CB-CZ3 4.48Å; H332-W334 AromaticContact CD2-CE3 3.56Å; H332-W334 AromaticContact CD2-CZ3 3.96Å; W334-V353 HydrophobicContact CG-CG1 4.26Å; W334-D355 HydrophobicContact CB-CB 3.97Å; W334-E381 HydrophobicContact CH2-CG 4.47Å; W334-E381 HydrophobicContact CZ3-CG 4.14Å; W334-E381 VanDerWaalsContact CZ3-OE1 3.29Å; W334-E381 WeakPolarHBondContact CZ3-OE1 3.42Å; W334-V382 HydrophobicContact CH2-CG1 3.53Å; W334-V382 HydrophobicContact CZ2-CG1 4.04Å; W334-L411 HydrophobicContact CH2-CD2 4.3Å; W334-L411 HydrophobicContact CZ2-CD2 3.99Å; W334-Y435 HydrophobicContact CZ2-CD1 4.26Å; W334-Y435 AromaticContact CZ2-CE1 3.63Å; W334-Y435 HydrophobicContact CZ2-CE1 3.63Å; W334-Y435 AromaticContact NE1-CE1 3.97Å; W334-Y435 AromaticContact NE1-CZ 3.79Å; W334-Y435 PolarHBondContact NE1-OH 2.98Å
335	N	98.3	Very high	90.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	151.4	177.7	-55.1	97.2	0	0	0	111.6	A277 M280 T281 T291 R292 V354	A277-N335 WeakPolarHBondContact CA-OD1 3.45Å; A277-N335 PolarHBondContact O-ND2 3.44Å; M280-N335 VanDerWaalsContact CB-OD1 3.25Å; M280-N335 WeakPolarHBondContact CB-OD1 3.45Å; M280-N335 HydrophobicContact CG-CB 4.34Å; M280-N335 VanDerWaalsContact CG-OD1 3.23Å; M280-N335 WeakPolarHBondContact CG-OD1 3.47Å; T281-N335 PolarHBondContact OG1-ND2 2.9Å; T291-N335 HydrophobicContact CG2-CB 4.12Å; R292-N335 CarbonylContact O-C 3.59Å; R292-N335 WeakPolarHBondContact O-CA 3.28Å; N335-V354 WeakPolarHBondContact CA-O 3.47Å; N335-V354 WeakPolarHBondContact CB-O 3.49Å; N335-V354 PolarHBondContact N-O 2.84Å; N335-V354 PolarHBondContact O-N 2.84Å
336	E	97.9	Very high	91.6	Very high	7 Å²	7	47.8 Å²	47.8	3%	0.033	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.9	158.9	-73.8	178.2	153.1	0	0	109.4	T291 R292 I294 W351 Q352 Y435	T291-E336 VanDerWaalsContact CA-O 3.29Å; T291-E336 WeakPolarHBondContact CA-O 3.3Å; R292-E336 HydrophobicContact CG-CB 4.04Å; R292-E336 IonicContact CZ-OE2 3.14Å; R292-E336 PolarHBondContact N-O 2.99Å; R292-E336 IonicContact NE-OE2 2.78Å; R292-E336 PolarHBondContact NE-OE2 2.94Å; R292-E336 IonicContact NH2-OE1 2.88Å; R292-E336 IonicContact NH2-OE2 3.99Å; R292-E336 PolarHBondContact NH2-OE2 2.9Å; R292-E336 PolarHBondContact O-N 2.83Å; I294-E336 HydrophobicContact CD1-CG 4.36Å; I294-E336 WeakPolarHBondContact CD1-OE2 3.28Å; I294-E336 HydrophobicContact CG1-CB 4.47Å; I294-E336 HydrophobicContact CG1-CG 3.7Å; E336-W351 HydrophobicContact CB-CB 4.12Å; E336-W351 HydrophobicContact CB-CD2 4.19Å; E336-W351 HydrophobicContact CB-CE3 3.65Å; E336-W351 HydrophobicContact CB-CG 4.43Å; E336-W351 HydrophobicContact CB-CZ3 4.43Å; E336-W351 HydrophobicContact CG-CB 4.31Å; E336-W351 WeakPolarHBondContact O-CZ3 3.49Å; E336-Q352 CarbonylContact C-O 3.59Å; E336-Q352 VanDerWaalsContact CA-O 3.23Å; E336-Q352 WeakPolarHBondContact CA-O 3.28Å; E336-Y435 VanDerWaalsContact CG-OH 3.3Å; E336-Y435 WeakPolarHBondContact CG-OH 3.34Å; E336-Y435 WeakPolarHBondContact OE1-CE2 3.45Å; E336-Y435 PolarHBondContact OE1-OH 3.19Å
337	C	98.2	Very high	92.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.4	176.7	-63.4	0	0	0	0	109.4	V218 I289 P290 M339 Q352 V354	V218-C337 HydrophobicContact CG1-CB 4.11Å; I289-C337 HydrophobicContact CG2-CB 3.91Å; P290-C337 WeakPolarHBondContact O-CA 3.43Å; C337-M339 HydrophobicContact CB-CE 3.52Å; C337-Q352 PolarHBondContact N-O 2.93Å; C337-Q352 PolarHBondContact O-N 3.2Å; C337-V354 HydrophobicContact CB-CG2 4.23Å
338	W	98.2	Very high	92.7	Very high	65 Å²	65	54.4 Å²	54.4	25%	0.246	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.5	178.7	-177.4	-89.8	0	0	0	111.2	F154 M155 P290 G350 W351	F154-W338 PolarHBondContact O-NE1 3.13Å; M155-W338 HydrophobicContact CB-CG 4.46Å; M155-W338 HydrophobicContact CE-CB 3.42Å; M155-W338 VanDerWaalsContact CE-CB 3.42Å; M155-W338 HydrophobicContact CE-CD2 3.51Å; M155-W338 HydrophobicContact CE-CE3 3.89Å; M155-W338 HydrophobicContact CE-CG 3.29Å; M155-W338 HydrophobicContact CG-CD2 4.49Å; P290-W338 HydrophobicContact CB-CB 3.9Å; P290-W338 HydrophobicContact CG-CB 4.2Å; P290-W338 PolarHBondContact O-N 3.48Å; W338-G350 VanDerWaalsContact CE3-CA 3.43Å; W338-G350 VanDerWaalsContact CZ3-CA 3.42Å; W338-W351 HydrophobicContact CB-CD2 4.48Å; W338-W351 HydrophobicContact CB-CE3 3.95Å; W338-W351 HydrophobicContact CB-CH2 4.2Å; W338-W351 HydrophobicContact CB-CZ3 3.81Å; W338-W351 AromaticContact CE3-CD1 3.83Å; W338-W351 AromaticContact CE3-CD2 3.81Å; W338-W351 HydrophobicContact CE3-CD2 3.81Å; W338-W351 AromaticContact CE3-CE2 3.68Å; W338-W351 HydrophobicContact CE3-CE3 4.42Å; W338-W351 AromaticContact CE3-CG 3.93Å; W338-W351 HydrophobicContact CE3-CG 3.93Å; W338-W351 HydrophobicContact CE3-CZ2 4.22Å; W338-W351 AromaticContact CE3-NE1 3.67Å; W338-W351 AromaticContact CZ3-CD1 3.84Å; W338-W351 HydrophobicContact CZ3-CG 4.34Å; W338-W351 AromaticContact CZ3-NE1 3.78Å
339	M	97.4	Very high	92.9	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	159.1	172.3	62.6	-164.4	77	0	0	111.9	V152 V153 P214 I215 V218 I289 C337 G350 Q352	V152-M339 HydrophobicContact CG1-CB 4.4Å; V152-M339 CarbonylContact O-C 2.99Å; V152-M339 WeakPolarHBondContact O-CA 3.29Å; V153-M339 HydrophobicContact CG1-CB 4.45Å; P214-M339 HydrophobicContact CB-CE 4.32Å; P214-M339 HydrophobicContact CB-SD 4.16Å; P214-M339 HydrophobicContact CG-CB 4.11Å; P214-M339 HydrophobicContact CG-SD 4.18Å; I215-M339 HydrophobicContact CB-SD 4.4Å; I215-M339 HydrophobicContact CG1-SD 3.63Å; V218-M339 HydrophobicContact CG1-CE 3.93Å; V218-M339 HydrophobicContact CG2-CE 3.96Å; I289-M339 HydrophobicContact CG2-CE 4.47Å; C337-M339 HydrophobicContact CB-CE 3.52Å; M339-G350 PolarHBondContact N-O 2.95Å; M339-G350 PolarHBondContact O-N 3.11Å; M339-G350 VanDerWaalsContact O-O 3.14Å; M339-Q352 HydrophobicContact CE-CG 4.34Å; M339-Q352 HydrophobicContact CG-CG 3.59Å; M339-Q352 HydrophobicContact SD-CG 4.12Å
340	Q	95	Very high	93.2	Very high	64 Å²	64	53.1 Å²	53.1	30%	0.299	26%	0.26	S	S	.	.			trans	-73.5	153.4	165.3	-61.4	176.6	3.4	0	0	110.9	V152 P342 N349	V152-Q340 HydrophobicContact CG1-CB 4.09Å; V152-Q340 PolarHBondContact O-N 3.2Å; Q340-P342 VanDerWaalsContact C-CD 3.48Å; Q340-P342 VanDerWaalsContact O-CD 3.32Å; Q340-P342 WeakPolarHBondContact O-CD 3.27Å; Q340-N349 WeakPolarHBondContact CA-OD1 3.42Å
341	R	91.6	Very high	93.4	Very high	33 Å²	33	53 Å²	53	13%	0.125	25%	0.249	C	C	.	.			trans	-117.3	74.2	175.1	-64.9	-60.6	-58.7	-77.6	-3.5	108.7	Y343 L344 Y348 N349	R341-Y343 PolarHBondContact O-N 2.94Å; R341-L344 HydrophobicContact CB-CB 4.01Å; R341-L344 HydrophobicContact CB-CD1 4.03Å; R341-L344 HydrophobicContact CB-CG 4.15Å; R341-L344 HydrophobicContact CG-CD1 4.36Å; R341-L344 PolarHBondContact O-N 3.21Å; R341-Y348 WeakPolarHBondContact CG-O 3.5Å; R341-N349 PolarHBondContact N-OD1 3.14Å
342	P	87.2	Confident	93.4	Very high	75 Å²	75	52.8 Å²	52.8	49%	0.487	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.4	-169.5	24.4	-35.5	0	0	0	114.9	Q340	Q340-P342 VanDerWaalsContact C-CD 3.48Å; Q340-P342 VanDerWaalsContact O-CD 3.32Å; Q340-P342 WeakPolarHBondContact O-CD 3.27Å
343	Y	85.6	Confident	93.4	Very high	171 Å²	171	55.2 Å²	55.2	67%	0.671	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	0	176.7	-48.8	-63	0	0	0	113.7	R341	R341-Y343 PolarHBondContact O-N 2.94Å
344	L	86.2	Confident	93.2	Very high	51 Å²	51	55.7 Å²	55.7	27%	0.267	27%	0.268	S	S	.	.	S	Bend	trans	-114.4	172.3	173.8	-59.5	-175.7	0	0	0	109.4	R341 Y348	R341-L344 HydrophobicContact CB-CB 4.01Å; R341-L344 HydrophobicContact CB-CD1 4.03Å; R341-L344 HydrophobicContact CB-CG 4.15Å; R341-L344 HydrophobicContact CG-CD1 4.36Å; R341-L344 PolarHBondContact O-N 3.21Å; L344-Y348 HydrophobicContact CB-CD2 4.15Å; L344-Y348 HydrophobicContact CB-CG 4.39Å; L344-Y348 HydrophobicContact CD1-CD2 4.39Å; L344-Y348 HydrophobicContact CD1-CG 4.03Å
345	I	89.1	Confident	93.1	Very high	98 Å²	98	57.6 Å²	57.6	50%	0.503	28%	0.278	S	S	.	.			trans	-65.8	147.6	171.8	63.2	174.9	0	0	0	110.4	E347 Y348	I345-E347 VanDerWaalsContact CB-OE2 3.28Å; I345-E347 WeakPolarHBondContact CB-OE2 3.37Å; I345-E347 WeakPolarHBondContact CD1-OE2 3.25Å; I345-E347 HydrophobicContact CG1-CB 4.5Å; I345-E347 VanDerWaalsContact CG1-OE2 3.25Å; I345-E347 WeakPolarHBondContact CG1-OE2 3.32Å; I345-E347 PolarHBondContact O-N 3.03Å; I345-Y348 HydrophobicContact CD1-CD2 4.12Å; I345-Y348 HydrophobicContact CD1-CE2 3.75Å; I345-Y348 HydrophobicContact CG1-CD2 3.38Å; I345-Y348 HydrophobicContact CG1-CE2 3.5Å; I345-Y348 VanDerWaalsContact CG1-CE2 3.5Å; I345-Y348 PolarHBondContact O-N 3.22Å
346	P	90.1	Very high	92.9	Very high	93 Å²	93	57.7 Å²	57.7	60%	0.604	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-56.1	-23.2	-172	-28	36.3	0	0	0	115.6	Y348 N349	P346-Y348 PolarHBondContact O-N 3Å; P346-N349 WeakPolarHBondContact O-CB 3.38Å; P346-N349 PolarHBondContact O-N 3.18Å; P346-N349 PolarHBondContact O-ND2 2.83Å
347	E	89	Confident	92.5	Very high	149 Å²	149	57.8 Å²	57.8	70%	0.696	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-64	-18.5	177.5	-63.2	79.8	-178.6	0	0	113.3	I345 N349	I345-E347 VanDerWaalsContact CB-OE2 3.28Å; I345-E347 WeakPolarHBondContact CB-OE2 3.37Å; I345-E347 WeakPolarHBondContact CD1-OE2 3.25Å; I345-E347 HydrophobicContact CG1-CB 4.5Å; I345-E347 VanDerWaalsContact CG1-OE2 3.25Å; I345-E347 WeakPolarHBondContact CG1-OE2 3.32Å; I345-E347 PolarHBondContact O-N 3.03Å; E347-N349 VanDerWaalsContact C-N 3.34Å
348	Y	88.7	Confident	91.6	Very high	139 Å²	139	60.8 Å²	60.8	55%	0.545	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-88.4	0.7	174.1	-70	-80.9	0	0	0	113.6	R341 L344 I345 P346 Q352	R341-Y348 WeakPolarHBondContact CG-O 3.5Å; L344-Y348 HydrophobicContact CB-CD2 4.15Å; L344-Y348 HydrophobicContact CB-CG 4.39Å; L344-Y348 HydrophobicContact CD1-CD2 4.39Å; L344-Y348 HydrophobicContact CD1-CG 4.03Å; I345-Y348 HydrophobicContact CD1-CD2 4.12Å; I345-Y348 HydrophobicContact CD1-CE2 3.75Å; I345-Y348 HydrophobicContact CG1-CD2 3.38Å; I345-Y348 HydrophobicContact CG1-CE2 3.5Å; I345-Y348 VanDerWaalsContact CG1-CE2 3.5Å; I345-Y348 PolarHBondContact O-N 3.22Å; P346-Y348 PolarHBondContact O-N 3Å; Y348-Q352 PolarHBondContact O-NE2 3.28Å
349	N	92.1	Very high	90.1	Very high	65 Å²	65	60 Å²	60	35%	0.348	30%	0.299	S	S	.	.			trans	-68	149	171.6	-65.6	-22.6	0	0	0	110.7	Q340 R341 P346 E347	Q340-N349 WeakPolarHBondContact CA-OD1 3.42Å; R341-N349 PolarHBondContact N-OD1 3.14Å; P346-N349 WeakPolarHBondContact O-CB 3.38Å; P346-N349 PolarHBondContact O-N 3.18Å; P346-N349 PolarHBondContact O-ND2 2.83Å; E347-N349 VanDerWaalsContact C-N 3.34Å
350	G	95.1	Very high	88.2	Confident	3 Å²	3	64.5 Å²	64.5	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	118.9	-139.4	174	0	0	0	0	0	112.3	W338 M339 Q352	W338-G350 VanDerWaalsContact CE3-CA 3.43Å; W338-G350 VanDerWaalsContact CZ3-CA 3.42Å; M339-G350 PolarHBondContact N-O 2.95Å; M339-G350 PolarHBondContact O-N 3.11Å; M339-G350 VanDerWaalsContact O-O 3.14Å; G350-Q352 PolarHBondContact O-N 3.01Å; G350-Q352 PolarHBondContact O-NE2 2.96Å
351	W	96.6	Very high	86	Confident	61 Å²	61	70.6 Å²	70.6	23%	0.231	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	120.9	-176.7	-66.4	113.6	0	0	0	112.4	M155 Y163 R292 E336 W338	M155-W351 HydrophobicContact CE-CH2 3.66Å; M155-W351 HydrophobicContact CE-CZ2 3.68Å; M155-W351 HydrophobicContact CE-CZ3 4.44Å; Y163-W351 AromaticContact CD1-CH2 3.83Å; Y163-W351 HydrophobicContact CD1-CH2 3.83Å; Y163-W351 HydrophobicContact CD1-CZ2 4.28Å; Y163-W351 AromaticContact CD2-CH2 3.76Å; Y163-W351 HydrophobicContact CD2-CH2 3.76Å; Y163-W351 AromaticContact CD2-CZ2 3.85Å; Y163-W351 HydrophobicContact CD2-CZ2 3.85Å; Y163-W351 HydrophobicContact CE1-CH2 4.02Å; Y163-W351 HydrophobicContact CE1-CZ2 4.04Å; Y163-W351 AromaticContact CE2-CH2 3.95Å; Y163-W351 HydrophobicContact CE2-CH2 3.95Å; Y163-W351 AromaticContact CE2-CZ2 3.57Å; Y163-W351 HydrophobicContact CE2-CZ2 3.57Å; Y163-W351 AromaticContact CG-CH2 3.67Å; Y163-W351 HydrophobicContact CG-CH2 3.67Å; Y163-W351 HydrophobicContact CG-CZ2 4.17Å; Y163-W351 AromaticContact CZ-CZ2 3.64Å; R292-W351 HydrophobicContact CB-CH2 4.47Å; R292-W351 HydrophobicContact CG-CE3 4.22Å; R292-W351 HydrophobicContact CG-CH2 4.02Å; R292-W351 HydrophobicContact CG-CZ2 4.42Å; R292-W351 HydrophobicContact CG-CZ3 3.92Å; R292-W351 VanDerWaalsContact NH2-CD1 3.34Å; E336-W351 HydrophobicContact CB-CB 4.12Å; E336-W351 HydrophobicContact CB-CD2 4.19Å; E336-W351 HydrophobicContact CB-CE3 3.65Å; E336-W351 HydrophobicContact CB-CG 4.43Å; E336-W351 HydrophobicContact CB-CZ3 4.43Å; E336-W351 HydrophobicContact CG-CB 4.31Å; E336-W351 WeakPolarHBondContact O-CZ3 3.49Å; W338-W351 HydrophobicContact CB-CD2 4.48Å; W338-W351 HydrophobicContact CB-CE3 3.95Å; W338-W351 HydrophobicContact CB-CH2 4.2Å; W338-W351 HydrophobicContact CB-CZ3 3.81Å; W338-W351 AromaticContact CE3-CD1 3.83Å; W338-W351 AromaticContact CE3-CD2 3.81Å; W338-W351 HydrophobicContact CE3-CD2 3.81Å; W338-W351 AromaticContact CE3-CE2 3.68Å; W338-W351 HydrophobicContact CE3-CE3 4.42Å; W338-W351 AromaticContact CE3-CG 3.93Å; W338-W351 HydrophobicContact CE3-CG 3.93Å; W338-W351 HydrophobicContact CE3-CZ2 4.22Å; W338-W351 AromaticContact CE3-NE1 3.67Å; W338-W351 AromaticContact CZ3-CD1 3.84Å; W338-W351 HydrophobicContact CZ3-CG 4.34Å; W338-W351 AromaticContact CZ3-NE1 3.78Å
352	Q	95.3	Very high	83.4	Confident	29 Å²	29	69.9 Å²	69.9	14%	0.136	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.8	175.4	-46.7	-60.8	-65.3	0	0	109.6	E336 C337 M339 Y348 G350 V354	E336-Q352 CarbonylContact C-O 3.59Å; E336-Q352 VanDerWaalsContact CA-O 3.23Å; E336-Q352 WeakPolarHBondContact CA-O 3.28Å; C337-Q352 PolarHBondContact N-O 2.93Å; C337-Q352 PolarHBondContact O-N 3.2Å; M339-Q352 HydrophobicContact CE-CG 4.34Å; M339-Q352 HydrophobicContact CG-CG 3.59Å; M339-Q352 HydrophobicContact SD-CG 4.12Å; Y348-Q352 PolarHBondContact O-NE2 3.28Å; G350-Q352 PolarHBondContact O-N 3.01Å; G350-Q352 PolarHBondContact O-NE2 2.96Å; Q352-V354 PolarHBondContact O-N 3.46Å
353	V	94.7	Very high	80.7	Confident	51 Å²	51	69.5 Å²	69.5	31%	0.309	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	130.5	175.2	177.4	0	0	0	0	109.9	W334 V378 Y435	W334-V353 HydrophobicContact CG-CG1 4.26Å; V353-V378 HydrophobicContact CB-CG1 4.33Å; V353-V378 HydrophobicContact CB-CG2 4.43Å; V353-V378 HydrophobicContact CG1-CG1 4.09Å; V353-V378 HydrophobicContact CG1-CG2 3.86Å; V353-V378 HydrophobicContact CG2-CG1 4.06Å; V353-Y435 HydrophobicContact CG2-CE1 3.7Å; V353-Y435 WeakPolarHBondContact CG2-OH 3.49Å
354	V	94.6	Very high	78.1	Confident	11 Å²	11	67.3 Å²	67.3	7%	0.067	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	113.9	174.4	-175.1	0	0	0	0	107.7	V218 M280 N335 C337 Q352	V218-V354 HydrophobicContact CB-CG1 4.43Å; V218-V354 HydrophobicContact CB-CG2 4.12Å; V218-V354 HydrophobicContact CG2-CG2 3.92Å; M280-V354 HydrophobicContact CE-CG1 3.55Å; N335-V354 WeakPolarHBondContact CA-O 3.47Å; N335-V354 WeakPolarHBondContact CB-O 3.49Å; N335-V354 PolarHBondContact N-O 2.84Å; N335-V354 PolarHBondContact O-N 2.84Å; C337-V354 HydrophobicContact CB-CG2 4.23Å; Q352-V354 PolarHBondContact O-N 3.46Å
355	D	93.9	Very high	75.3	Confident	41 Å²	41	74.2 Å²	74.2	22%	0.219	39%	0.388	C	S	.	.			trans	-113.2	123	177.6	-169.9	3.9	0	0	0	109.7	H332 W334 T357 Q359	H332-D355 IonicContact CD2-OD2 3.7Å; H332-D355 IonicContact CE1-OD2 2.91Å; H332-D355 IonicContact NE2-OD1 3.8Å; H332-D355 IonicContact NE2-OD2 3.46Å; H332-D355 PolarHBondContact NE2-OD2 3.06Å; W334-D355 HydrophobicContact CB-CB 3.97Å; D355-T357 WeakPolarHBondContact OD1-CB 3.21Å; D355-T357 PolarHBondContact OD1-N 3.28Å; D355-T357 PolarHBondContact OD1-OG1 3.13Å; D355-Q359 PolarHBondContact OD2-NE2 3.05Å
356	A	93.5	Very high	72.5	Confident	4 Å²	4	76.4 Å²	76.4	3%	0.033	40%	0.396	C	S	.	.			trans	-93.1	-0.7	176.2	0	0	0	0	0	112.5	I225 Q226 F276	I225-A356 HydrophobicContact CB-CB 3.69Å; I225-A356 HydrophobicContact CG1-CB 4.28Å; I225-A356 HydrophobicContact CG2-CB 3.6Å; Q226-A356 WeakPolarHBondContact CB-O 3.39Å; F276-A356 HydrophobicContact CB-CB 4.13Å
357	T	90.4	Very high	69.7	Low	9 Å²	9	75.6 Å²	75.6	6%	0.055	41%	0.405	C	S	.	.	S	Bend	trans	-84.3	123.6	178.7	-46	0	0	0	0	109.3	W238 C273 F276 H332 D355 Q359	W238-T357 HydrophobicContact CH2-CG2 3.79Å; W238-T357 HydrophobicContact CZ2-CG2 3.97Å; C273-T357 HydrophobicContact CB-CG2 4.23Å; F276-T357 HydrophobicContact CD2-CG2 4.1Å; F276-T357 HydrophobicContact CE2-CG2 4.13Å; H332-T357 PolarHBondContact CE1-OG1 2.85Å; H332-T357 VanDerWaalsContact CE1-OG1 3.28Å; D355-T357 WeakPolarHBondContact OD1-CB 3.21Å; D355-T357 PolarHBondContact OD1-N 3.28Å; D355-T357 PolarHBondContact OD1-OG1 3.13Å; T357-Q359 PolarHBondContact O-N 3.41Å
358	P	78.9	Confident	66.9	Low	62 Å²	62	77.1 Å²	77.1	40%	0.403	40%	0.404	S	S	.	.			trans	-66.9	120.1	172.8	-13.5	26.8	0	0	0	109.4	Q226	Q226-P358 HydrophobicContact CB-CG 4.23Å; Q226-P358 HydrophobicContact CG-CG 3.97Å
359	Q	66.5	Low	64.3	Low	50 Å²	50	76.6 Å²	76.6	23%	0.234	41%	0.41	C	S	.	.			trans	-110.9	-78.1	175.3	-71.6	-165.1	44.2	0	0	109.2	H301 H332 D355 T357 E381	H301-Q359 PolarHBondContact CD2-OE1 3.3Å; H301-Q359 VanDerWaalsContact NE2-C 3.28Å; H301-Q359 WeakPolarHBondContact NE2-CA 3.31Å; H301-Q359 WeakPolarHBondContact NE2-CB 3.49Å; H301-Q359 PolarHBondContact NE2-O 3.38Å; H332-Q359 PolarHBondContact NE2-NE2 3.36Å; D355-Q359 PolarHBondContact OD2-NE2 3.05Å; T357-Q359 PolarHBondContact O-N 3.41Å; Q359-E381 PolarHBondContact NE2-OE2 3.11Å
360	E	58.4	Low	61.8	Low	95 Å²	95	78.6 Å²	78.6	44%	0.444	42%	0.42	S	S	.	.	S	Bend	trans	-119.8	151.3	176.1	-77.5	-58.9	145.4	0	0	110.5	H301 A362	H301-E360 IonicContact CE1-OE1 2.73Å; H301-E360 IonicContact NE2-OE1 2.8Å; E360-A362 PolarHBondContact O-N 2.62Å
361	K	47.7	Very low	59.3	Low	192 Å²	192	83.9 Å²	83.9	84%	0.835	45%	0.447	S	S	*	.			trans	-70.5	74.1	172	-72	-173.3	179.8	-176.9	0	109.7	G363	K361-G363 VanDerWaalsContact C-N 3.3Å; K361-G363 PolarHBondContact O-N 2.74Å
362	A	37.9	Very low	57.4	Low	19 Å²	19	85.8 Å²	85.8	16%	0.157	47%	0.465	C	S	.	.			trans	-75.1	85.7	173	0	0	0	0	0	109.8	E360 V364 E374	E360-A362 PolarHBondContact O-N 2.62Å; A362-V364 PolarHBondContact O-N 3.32Å; A362-V364 VanDerWaalsContact O-N 3.12Å; A362-E374 HydrophobicContact CB-CG 3.81Å
363	G	31.2	Very low	56.1	Low	67 Å²	67	87.7 Å²	87.7	69%	0.691	47%	0.472	S	S	*	.	S	Bend	trans	72	15	143.4	0	0	0	0	0	119.4	K361 K365	K361-G363 VanDerWaalsContact C-N 3.3Å; K361-G363 PolarHBondContact O-N 2.74Å; G363-K365 PolarHBondContact O-N 2.86Å
364	V	31.3	Very low	55.1	Low	125 Å²	125	89.5 Å²	89.5	76%	0.758	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	59.8	164.8	-167	0	0	0	0	109.8	A362	A362-V364 PolarHBondContact O-N 3.32Å; A362-V364 VanDerWaalsContact O-N 3.12Å
365	K	27.4	Very low	54.3	Low	195 Å²	195	91.9 Å²	91.9	85%	0.848	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-19	178.2	-123.1	-178.1	-179.1	-177.9	0	115.4	G363	G363-K365 PolarHBondContact O-N 2.86Å
366	E	30.1	Very low	53.5	Low	144 Å²	144	92.5 Å²	92.5	67%	0.673	50%	0.502	S	S	*	.	S	Bend	trans	-152	26.6	-175.4	-68.2	-169.2	164.3	0	0	116.9	R368	E366-R368 PolarHBondContact O-N 3.01Å; E366-R368 IonicContact OE2-NE 3.36Å; E366-R368 IonicContact OE2-NH2 3.5Å
367	G	29.7	Very low	52.9	Low	77 Å²	77	94 Å²	94	79%	0.794	51%	0.512	S	S	*	.			trans	59.4	20.8	173.9	0	0	0	0	0	114.9	I369	G367-I369 PolarHBondContact O-N 2.8Å
368	R	31.4	Very low	52.6	Low	180 Å²	180	95.2 Å²	95.2	68%	0.679	52%	0.519	S	S	*	.			trans	-74.1	113.3	173.4	-68.9	-171.7	-172.7	-168	3.2	108.8	E366 D370	E366-R368 PolarHBondContact O-N 3.01Å; E366-R368 IonicContact OE2-NE 3.36Å; E366-R368 IonicContact OE2-NH2 3.5Å; R368-D370 PolarHBondContact O-N 2.75Å
369	I	34.2	Very low	52.9	Low	129 Å²	129	94.1 Å²	94.1	66%	0.662	51%	0.51	S	S	*	.			trans	-75.7	69.5	166.5	-53.4	171.4	0	0	0	106.2	G367	G367-I369 PolarHBondContact O-N 2.8Å
370	D	38.4	Very low	53.8	Low	106 Å²	106	91.8 Å²	91.8	57%	0.567	50%	0.499	S	S	*	.			trans	-73.2	128.7	170.8	-73.2	-27.5	0	0	0	107.7	R368 V372	R368-D370 PolarHBondContact O-N 2.75Å; D370-V372 PolarHBondContact O-N 2.61Å
371	L	42.4	Very low	55.2	Low	115 Å²	115	87.7 Å²	87.7	60%	0.602	48%	0.48	S	S	*	.	S	Bend	trans	-58	-7.9	-172.3	-76.7	153.7	0	0	0	114.8
372	V	57.4	Low	57.2	Low	101 Å²	101	78.7 Å²	78.7	61%	0.612	44%	0.441	S	S	*	.	S	Bend	trans	-126.1	84.5	-172.9	-173.5	0	0	0	0	108	D370 E374 T375	D370-V372 PolarHBondContact O-N 2.61Å; V372-E374 PolarHBondContact O-N 3.32Å; V372-T375 HydrophobicContact CG1-CG2 4.33Å; V372-T375 WeakPolarHBondContact CG1-OG1 3.48Å
373	Y	68	Low	59.7	Low	69 Å²	69	77.9 Å²	77.9	27%	0.271	43%	0.434	S	S	.	.			trans	-60.1	126.3	173.3	-59.4	-75.5	0	0	0	109.7	I215 T375	I215-Y373 HydrophobicContact CG2-CE2 3.81Å; Y373-T375 WeakPolarHBondContact O-CA 3.15Å; Y373-T375 PolarHBondContact O-N 2.93Å; Y373-T375 PolarHBondContact O-OG1 2.71Å
374	E	73.4	Confident	62.3	Low	89 Å²	89	74.7 Å²	74.7	42%	0.416	40%	0.401	S	S	.	.	S	Bend	trans	38.1	23.2	159.8	-67.2	159.9	-132.9	0	0	117.6	R219 A362 V372 A376 C377 V378	R219-E374 IonicContact CZ-OE1 3.84Å; R219-E374 IonicContact NH1-OE1 3.65Å; R219-E374 PolarHBondContact NH1-OE1 2.9Å; R219-E374 IonicContact NH2-OE1 2.78Å; R219-E374 PolarHBondContact NH2-OE1 3.49Å; A362-E374 HydrophobicContact CB-CG 3.81Å; V372-E374 PolarHBondContact O-N 3.32Å; E374-A376 VanDerWaalsContact C-N 3.31Å; E374-A376 PolarHBondContact O-N 3.07Å; E374-C377 WeakPolarHBondContact O-CB 3.23Å; E374-C377 PolarHBondContact O-N 3.28Å; E374-C377 VanDerWaalsContact O-N 3.11Å; E374-V378 PolarHBondContact O-N 2.82Å
375	T	77.9	Confident	65.1	Low	61 Å²	61	71.7 Å²	71.7	37%	0.374	38%	0.379	S	S	.	.	H	α-helix	trans	-69.6	-34.5	-165.6	-61.9	0	0	0	0	110.6	V372 Y373 C377 V378 I379	V372-T375 HydrophobicContact CG1-CG2 4.33Å; V372-T375 WeakPolarHBondContact CG1-OG1 3.48Å; Y373-T375 WeakPolarHBondContact O-CA 3.15Å; Y373-T375 PolarHBondContact O-N 2.93Å; Y373-T375 PolarHBondContact O-OG1 2.71Å; T375-C377 VanDerWaalsContact C-N 3.3Å; T375-C377 PolarHBondContact O-N 2.74Å; T375-V378 PolarHBondContact O-N 2.95Å; T375-I379 HydrophobicContact CG2-CD1 3.66Å; T375-I379 HydrophobicContact CG2-CG1 4.1Å; T375-I379 WeakPolarHBondContact O-CB 3.46Å; T375-I379 WeakPolarHBondContact O-CG1 3.43Å; T375-I379 PolarHBondContact O-N 2.8Å
376	A	78.1	Confident	68	Low	53 Å²	53	63.7 Å²	63.7	44%	0.438	34%	0.344	S	S	.	.	H	α-helix	trans	-58.8	-40.9	175.4	0	0	0	0	0	112.3	E374 I379 A380	E374-A376 VanDerWaalsContact C-N 3.31Å; E374-A376 PolarHBondContact O-N 3.07Å; A376-I379 PolarHBondContact O-N 2.92Å; A376-A380 WeakPolarHBondContact O-CB 3.48Å; A376-A380 PolarHBondContact O-N 3.31Å
377	C	80.3	Confident	70.9	Confident	35 Å²	35	57.4 Å²	57.4	24%	0.236	32%	0.316	C	S	.	.	H	α-helix	trans	-65	-49.4	179.7	-57.4	0	0	0	0	110.7	E374 T375 I379 A380 E381	E374-C377 WeakPolarHBondContact O-CB 3.23Å; E374-C377 PolarHBondContact O-N 3.28Å; E374-C377 VanDerWaalsContact O-N 3.11Å; T375-C377 VanDerWaalsContact C-N 3.3Å; T375-C377 PolarHBondContact O-N 2.74Å; C377-I379 VanDerWaalsContact C-N 3.32Å; C377-I379 PolarHBondContact O-N 2.92Å; C377-A380 PolarHBondContact O-N 3.12Å; C377-E381 WeakPolarHBondContact O-CB 2.83Å; C377-E381 PolarHBondContact O-N 3.49Å
378	V	84.5	Confident	73.8	Confident	35 Å²	35	56 Å²	56	21%	0.212	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-40	178.2	177.6	0	0	0	0	111.5	V353 E374 T375 V382	V353-V378 HydrophobicContact CB-CG1 4.33Å; V353-V378 HydrophobicContact CB-CG2 4.43Å; V353-V378 HydrophobicContact CG1-CG1 4.09Å; V353-V378 HydrophobicContact CG1-CG2 3.86Å; V353-V378 HydrophobicContact CG2-CG1 4.06Å; E374-V378 PolarHBondContact O-N 2.82Å; T375-V378 PolarHBondContact O-N 2.95Å; V378-V382 WeakPolarHBondContact O-CG2 3.43Å; V378-V382 PolarHBondContact O-N 2.89Å
379	I	84.9	Confident	76.8	Confident	39 Å²	39	51.2 Å²	51.2	20%	0.2	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-47.5	176.6	-67.9	173.7	0	0	0	110.1	M307 T375 A376 C377 E381 V382 N383 L437	M307-I379 HydrophobicContact CE-CG2 3.71Å; M307-I379 HydrophobicContact SD-CB 4.4Å; M307-I379 HydrophobicContact SD-CG2 3.54Å; M307-I379 VanDerWaalsContact SD-CG2 3.54Å; T375-I379 HydrophobicContact CG2-CD1 3.66Å; T375-I379 HydrophobicContact CG2-CG1 4.1Å; T375-I379 WeakPolarHBondContact O-CB 3.46Å; T375-I379 WeakPolarHBondContact O-CG1 3.43Å; T375-I379 PolarHBondContact O-N 2.8Å; A376-I379 PolarHBondContact O-N 2.92Å; C377-I379 VanDerWaalsContact C-N 3.32Å; C377-I379 PolarHBondContact O-N 2.92Å; I379-E381 VanDerWaalsContact C-N 3.32Å; I379-E381 PolarHBondContact O-N 3.43Å; I379-V382 PolarHBondContact O-N 3.46Å; I379-N383 HydrophobicContact CG2-CB 4.31Å; I379-N383 WeakPolarHBondContact O-CA 3.43Å; I379-N383 VanDerWaalsContact O-CB 3.28Å; I379-N383 WeakPolarHBondContact O-CB 3.33Å; I379-N383 PolarHBondContact O-N 3.39Å; I379-L437 HydrophobicContact CG2-CD1 3.75Å; I379-L437 HydrophobicContact CG2-CG 4.44Å
380	A	84.6	Confident	79.6	Confident	2 Å²	2	47.2 Å²	47.2	2%	0.017	25%	0.25	C	S	.	.	H	α-helix	trans	-59.3	-45.8	178.5	0	0	0	0	0	110.9	D302 M307 A376 C377 V382 N383 A384	D302-A380 HydrophobicContact CB-CB 3.93Å; M307-A380 HydrophobicContact SD-CB 4.2Å; A376-A380 WeakPolarHBondContact O-CB 3.48Å; A376-A380 PolarHBondContact O-N 3.31Å; C377-A380 PolarHBondContact O-N 3.12Å; A380-V382 PolarHBondContact O-N 3.24Å; A380-N383 PolarHBondContact O-N 3.43Å; A380-A384 WeakPolarHBondContact O-CB 3.38Å; A380-A384 PolarHBondContact O-N 2.9Å
381	E	88.5	Confident	82.1	Confident	9 Å²	9	45.1 Å²	45.1	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-55.8	-31.7	-179.6	178.8	162.2	-169.1	0	0	114	A299 A300 H332 W334 Q359 C377 I379 I407	A299-E381 HydrophobicContact CB-CG 3.98Å; A299-E381 WeakPolarHBondContact CB-OE1 3.19Å; A300-E381 PolarHBondContact N-O 3.5Å; A300-E381 VanDerWaalsContact N-O 3.13Å; A300-E381 VanDerWaalsContact O-CA 3.25Å; A300-E381 WeakPolarHBondContact O-CA 3.36Å; A300-E381 WeakPolarHBondContact O-CB 3.49Å; A300-E381 WeakPolarHBondContact O-CG 3.19Å; H332-E381 WeakPolarHBondContact CB-OE1 3.27Å; H332-E381 IonicContact CD2-OE1 2.89Å; H332-E381 PolarHBondContact CD2-OE1 2.88Å; H332-E381 IonicContact CD2-OE2 2.86Å; H332-E381 IonicContact CG-OE1 2.66Å; H332-E381 IonicContact NE2-OE1 3.83Å; W334-E381 HydrophobicContact CH2-CG 4.47Å; W334-E381 HydrophobicContact CZ3-CG 4.14Å; W334-E381 VanDerWaalsContact CZ3-OE1 3.29Å; W334-E381 WeakPolarHBondContact CZ3-OE1 3.42Å; Q359-E381 PolarHBondContact NE2-OE2 3.11Å; C377-E381 WeakPolarHBondContact O-CB 2.83Å; C377-E381 PolarHBondContact O-N 3.49Å; I379-E381 VanDerWaalsContact C-N 3.32Å; I379-E381 PolarHBondContact O-N 3.43Å; E381-I407 WeakPolarHBondContact O-CG2 3.48Å
382	V	89.7	Confident	84.2	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-111.8	-9.9	-177.5	-56.5	0	0	0	0	114.7	W334 V378 I379 A380 L411 Y435 K436	W334-V382 HydrophobicContact CH2-CG1 3.53Å; W334-V382 HydrophobicContact CZ2-CG1 4.04Å; V378-V382 WeakPolarHBondContact O-CG2 3.43Å; V378-V382 PolarHBondContact O-N 2.89Å; I379-V382 PolarHBondContact O-N 3.46Å; A380-V382 PolarHBondContact O-N 3.24Å; V382-L411 HydrophobicContact CG1-CD2 4.01Å; V382-Y435 HydrophobicContact CG1-CD1 4.14Å; V382-Y435 HydrophobicContact CG2-CD1 4.14Å; V382-K436 WeakPolarHBondContact O-CE 3.2Å; V382-K436 PolarHBondContact O-NZ 3.4Å
383	N	89.8	Confident	85.5	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.011	23%	0.226	C	C	.	.	H	α-helix	trans	-135.1	-0.7	-174.6	-71.4	-81.6	0	0	0	115.5	M307 I379 A380 Y435 K436 L437 R442	M307-N383 HydrophobicContact CE-CB 3.67Å; I379-N383 HydrophobicContact CG2-CB 4.31Å; I379-N383 WeakPolarHBondContact O-CA 3.43Å; I379-N383 VanDerWaalsContact O-CB 3.28Å; I379-N383 WeakPolarHBondContact O-CB 3.33Å; I379-N383 PolarHBondContact O-N 3.39Å; A380-N383 PolarHBondContact O-N 3.43Å; N383-Y435 PolarHBondContact ND2-O 2.83Å; N383-K436 WeakPolarHBondContact OD1-CA 3.18Å; N383-K436 WeakPolarHBondContact OD1-CD 3.43Å; N383-L437 HydrophobicContact CB-CD1 4.25Å; N383-L437 HydrophobicContact CB-CG 4.4Å; N383-L437 PolarHBondContact OD1-N 3.12Å; N383-R442 PolarHBondContact OD1-NH2 2.99Å
384	A	87.5	Confident	86.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.			trans	-55.9	147.5	176.2	0	0	0	0	0	111.9	A300 M307 A380 I407	A300-A384 HydrophobicContact CB-CB 4.14Å; M307-A384 CarbonylContact O-C 3.59Å; M307-A384 WeakPolarHBondContact O-CA 3.37Å; A380-A384 WeakPolarHBondContact O-CB 3.38Å; A380-A384 PolarHBondContact O-N 2.9Å; A384-I407 HydrophobicContact CB-CG1 4.22Å; A384-I407 HydrophobicContact CB-CG2 4.3Å; A384-I407 VanDerWaalsContact O-CB 3.24Å; A384-I407 WeakPolarHBondContact O-CB 3.44Å; A384-I407 VanDerWaalsContact O-CG1 3.31Å; A384-I407 WeakPolarHBondContact O-CG1 3.46Å
385	E	88.6	Confident	86.8	Confident	62 Å²	62	44.5 Å²	44.5	29%	0.29	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	135.7	173.3	-57.4	-169.3	151.3	0	0	109.5	M307 A308 T309 C387 V402 P404	M307-E385 PolarHBondContact O-N 2.92Å; A308-E385 CarbonylContact C-O 3.51Å; A308-E385 WeakPolarHBondContact CA-O 3.25Å; T309-E385 PolarHBondContact N-O 2.96Å; E385-C387 PolarHBondContact O-N 3.32Å; E385-V402 HydrophobicContact CB-CG1 3.92Å; E385-V402 WeakPolarHBondContact OE2-CG1 3.28Å; E385-P404 HydrophobicContact CG-CB 4.38Å
386	K	89.3	Confident	87.3	Confident	28 Å²	28	46.4 Å²	46.4	12%	0.122	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	108.4	177.5	-171.5	171.5	-177.7	173	0	109.6	V311 I328 Y388 D403 I407	V311-K386 HydrophobicContact CG2-CG 4.16Å; I328-K386 HydrophobicContact CD1-CD 3.7Å; I328-K386 HydrophobicContact CD1-CG 4.03Å; K386-Y388 HydrophobicContact CB-CE2 4.41Å; K386-Y388 HydrophobicContact CD-CE2 4.14Å; K386-Y388 VanDerWaalsContact CD-OH 3.27Å; K386-Y388 WeakPolarHBondContact CD-OH 3.31Å; K386-Y388 WeakPolarHBondContact CE-OH 3.37Å; K386-Y388 HydrophobicContact CG-CE2 3.85Å; K386-Y388 PolarHBondContact NZ-OH 3.16Å; K386-D403 HydrophobicContact CB-CB 4.29Å; K386-D403 PolarHBondContact N-O 3.29Å; K386-D403 PolarHBondContact O-N 2.8Å; K386-I407 HydrophobicContact CB-CD1 4.49Å; K386-I407 HydrophobicContact CB-CG1 4.34Å
387	C	90.5	Very high	87.9	Confident	12 Å²	12	47.4 Å²	47.4	8%	0.081	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.3	-176.7	-67.6	0	0	0	0	109.9	T309 D310 V311 E385 L399	T309-C387 PolarHBondContact O-N 3.36Å; D310-C387 WeakPolarHBondContact OD1-CB 3.12Å; V311-C387 PolarHBondContact N-O 3.04Å; E385-C387 PolarHBondContact O-N 3.32Å; C387-L399 HydrophobicContact CB-CD1 3.84Å
388	Y	91.2	Very high	88.4	Confident	47 Å²	47	52.7 Å²	52.7	18%	0.184	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	113.9	180	-65.2	-92.1	0	0	0	110.1	V311 I313 K386 V400 K401 D403	V311-Y388 HydrophobicContact CB-CD1 4.19Å; V311-Y388 HydrophobicContact CB-CE1 4.46Å; V311-Y388 HydrophobicContact CG1-CD1 4.29Å; V311-Y388 HydrophobicContact CG1-CE1 4.43Å; V311-Y388 WeakPolarHBondContact O-CA 3.17Å; I313-Y388 HydrophobicContact CD1-CD1 3.91Å; K386-Y388 HydrophobicContact CB-CE2 4.41Å; K386-Y388 HydrophobicContact CD-CE2 4.14Å; K386-Y388 VanDerWaalsContact CD-OH 3.27Å; K386-Y388 WeakPolarHBondContact CD-OH 3.31Å; K386-Y388 WeakPolarHBondContact CE-OH 3.37Å; K386-Y388 HydrophobicContact CG-CE2 3.85Å; K386-Y388 PolarHBondContact NZ-OH 3.16Å; Y388-V400 WeakPolarHBondContact O-CG2 3.18Å; Y388-V400 PolarHBondContact O-N 3.17Å; Y388-K401 HydrophobicContact CD2-CB 3.92Å; Y388-K401 HydrophobicContact CD2-CD 4.05Å; Y388-K401 HydrophobicContact CD2-CG 4.04Å; Y388-K401 HydrophobicContact CE2-CD 4.17Å; Y388-K401 HydrophobicContact CG-CB 4.4Å; Y388-K401 PolarHBondContact N-O 2.83Å; Y388-D403 HydrophobicContact CE2-CB 4.24Å
389	W	93.1	Very high	88.8	Confident	79 Å²	79	54.8 Å²	54.8	30%	0.299	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.8	173.9	-61	89.6	0	0	0	108.5	D310 V311 H312 I313 R398 L399	D310-W389 PolarHBondContact OD1-NE1 2.6Å; V311-W389 PolarHBondContact O-N 2.86Å; H312-W389 CarbonylContact C-O 3.57Å; I313-W389 PolarHBondContact N-O 3.21Å; W389-R398 WeakPolarHBondContact CA-O 3.24Å; W389-L399 HydrophobicContact CD2-CB 4.15Å; W389-L399 HydrophobicContact CD2-CD1 4.31Å; W389-L399 HydrophobicContact CE3-CB 3.91Å; W389-L399 VanDerWaalsContact CE3-N 3.3Å; W389-L399 HydrophobicContact CH2-CB 3.9Å; W389-L399 HydrophobicContact CZ2-CB 4.14Å; W389-L399 HydrophobicContact CZ2-CD1 4.22Å; W389-L399 HydrophobicContact CZ3-CB 3.78Å
390	V	93.2	Very high	89.2	Confident	45 Å²	45	57.4 Å²	57.4	27%	0.273	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.3	-179.3	178.4	0	0	0	0	109.3	I313 R398 V400	I313-V390 HydrophobicContact CB-CG2 4.15Å; I313-V390 HydrophobicContact CD1-CG2 4.39Å; I313-V390 WeakPolarHBondContact O-CA 3.47Å; V390-R398 PolarHBondContact N-O 2.69Å; V390-R398 PolarHBondContact O-N 3.29Å; V390-V400 HydrophobicContact CB-CG1 3.9Å; V390-V400 HydrophobicContact CB-CG2 4.22Å; V390-V400 HydrophobicContact CG2-CB 4.37Å; V390-V400 HydrophobicContact CG2-CG1 4.03Å; V390-V400 HydrophobicContact CG2-CG2 3.42Å; V390-V400 VanDerWaalsContact CG2-CG2 3.42Å
391	E	91.1	Very high	89.6	Confident	62 Å²	62	62.5 Å²	62.5	29%	0.29	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	124	172.6	-171.1	-164.7	-177.4	0	0	110.2	I313 R314 K315	I313-E391 PolarHBondContact O-N 3.26Å; R314-E391 WeakPolarHBondContact CA-OE2 3.34Å; K315-E391 PolarHBondContact N-OE2 2.98Å
392	N	87	Confident	89.7	Confident	38 Å²	38	65 Å²	65	20%	0.203	33%	0.327	C	S	.	.			trans	-83.7	-176.8	178.4	75.1	14.1	0	0	0	112.4	V394 G395 E396	N392-V394 PolarHBondContact O-N 3.05Å; N392-V394 WeakPolarHBondContact OD1-CG2 3.45Å; N392-V394 PolarHBondContact OD1-N 3.14Å; N392-G395 PolarHBondContact O-N 2.8Å; N392-G395 PolarHBondContact OD1-N 3.04Å; N392-G395 VanDerWaalsContact OD1-N 3.17Å; N392-E396 PolarHBondContact N-O 3.17Å; N392-E396 PolarHBondContact ND2-OE2 2.85Å; N392-E396 PolarHBondContact OD1-N 2.91Å; N392-E396 PolarHBondContact OD1-O 2.88Å
393	E	85	Confident	89.8	Confident	166 Å²	166	66.9 Å²	66.9	78%	0.776	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.5	-175.7	-60.8	-164.9	149.9	0	0	115.3
394	V	86.2	Confident	89.7	Confident	116 Å²	116	69 Å²	69	70%	0.703	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	3.2	-179.9	-63.9	0	0	0	0	112.9	N392 E396	N392-V394 PolarHBondContact O-N 3.05Å; N392-V394 WeakPolarHBondContact OD1-CG2 3.45Å; N392-V394 PolarHBondContact OD1-N 3.14Å; V394-E396 HydrophobicContact CG2-CG 3.96Å
395	G	83	Confident	89.8	Confident	42 Å²	42	74.2 Å²	74.2	43%	0.433	38%	0.379	S	S	.	.	S	Bend	trans	86.7	10.2	179.4	0	0	0	0	0	115	N392	N392-G395 PolarHBondContact O-N 2.8Å; N392-G395 PolarHBondContact OD1-N 3.04Å; N392-G395 VanDerWaalsContact OD1-N 3.17Å
396	E	88.1	Confident	89.9	Confident	100 Å²	100	71.8 Å²	71.8	47%	0.467	37%	0.371	S	S	.	.			trans	-87.7	132.8	173	-57.8	170	160.6	0	0	110.2	N392 V394 R398	N392-E396 PolarHBondContact N-O 3.17Å; N392-E396 PolarHBondContact ND2-OE2 2.85Å; N392-E396 PolarHBondContact OD1-N 2.91Å; N392-E396 PolarHBondContact OD1-O 2.88Å; V394-E396 HydrophobicContact CG2-CG 3.96Å; E396-R398 IonicContact OE2-CZ 3.74Å; E396-R398 IonicContact OE2-NE 3.74Å; E396-R398 IonicContact OE2-NH2 2.89Å; E396-R398 PolarHBondContact OE2-NH2 3.35Å
397	E	89.8	Confident	90	Very high	74 Å²	74	70.5 Å²	70.5	35%	0.346	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	141	170.4	-63	-164.9	127.1	0	0	111.9	H312	H312-E397 IonicContact CE1-OE1 3.98Å; H312-E397 IonicContact CE1-OE2 3.4Å; H312-E397 PolarHBondContact CE1-OE2 3.18Å; H312-E397 IonicContact CG-OE1 2.81Å; H312-E397 VanDerWaalsContact ND1-CD 3.3Å; H312-E397 IonicContact ND1-OE1 2.88Å; H312-E397 PolarHBondContact ND1-OE1 3.42Å; H312-E397 IonicContact ND1-OE2 3.02Å; H312-E397 PolarHBondContact ND1-OE2 2.79Å
398	R	91.8	Very high	90.1	Very high	147 Å²	147	69.9 Å²	69.9	56%	0.555	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	139	172.8	-62.1	-174.1	-176.4	-178	1.5	110.4	W389 V390 E396 V400	W389-R398 WeakPolarHBondContact CA-O 3.24Å; V390-R398 PolarHBondContact N-O 2.69Å; V390-R398 PolarHBondContact O-N 3.29Å; E396-R398 IonicContact OE2-CZ 3.74Å; E396-R398 IonicContact OE2-NE 3.74Å; E396-R398 IonicContact OE2-NH2 2.89Å; E396-R398 PolarHBondContact OE2-NH2 3.35Å; R398-V400 PolarHBondContact O-N 3.48Å
399	L	92.5	Very high	90.2	Very high	79 Å²	79	69.2 Å²	69.2	41%	0.414	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	113.1	169	-177.9	65.8	0	0	0	109.2	C387 W389 V402	C387-L399 HydrophobicContact CB-CD1 3.84Å; W389-L399 HydrophobicContact CD2-CB 4.15Å; W389-L399 HydrophobicContact CD2-CD1 4.31Å; W389-L399 HydrophobicContact CE3-CB 3.91Å; W389-L399 VanDerWaalsContact CE3-N 3.3Å; W389-L399 HydrophobicContact CH2-CB 3.9Å; W389-L399 HydrophobicContact CZ2-CB 4.14Å; W389-L399 HydrophobicContact CZ2-CD1 4.22Å; W389-L399 HydrophobicContact CZ3-CB 3.78Å; L399-V402 HydrophobicContact CD1-CG2 4.08Å; L399-V402 HydrophobicContact CD2-CG2 3.83Å; L399-V402 HydrophobicContact CG-CG2 4.22Å
400	V	93.1	Very high	90.3	Very high	93 Å²	93	66.5 Å²	66.5	56%	0.564	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	-23.5	-177.9	-61.3	0	0	0	0	113.4	Y388 V390 R398	Y388-V400 WeakPolarHBondContact O-CG2 3.18Å; Y388-V400 PolarHBondContact O-N 3.17Å; V390-V400 HydrophobicContact CB-CG1 3.9Å; V390-V400 HydrophobicContact CB-CG2 4.22Å; V390-V400 HydrophobicContact CG2-CB 4.37Å; V390-V400 HydrophobicContact CG2-CG1 4.03Å; V390-V400 HydrophobicContact CG2-CG2 3.42Å; V390-V400 VanDerWaalsContact CG2-CG2 3.42Å; R398-V400 PolarHBondContact O-N 3.48Å
401	K	92.1	Very high	90.5	Very high	109 Å²	109	64.4 Å²	64.4	47%	0.474	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	136.8	-177	-177.3	-179.4	176.6	-168.6	0	110.6	Y388	Y388-K401 HydrophobicContact CD2-CB 3.92Å; Y388-K401 HydrophobicContact CD2-CD 4.05Å; Y388-K401 HydrophobicContact CD2-CG 4.04Å; Y388-K401 HydrophobicContact CE2-CD 4.17Å; Y388-K401 HydrophobicContact CG-CB 4.4Å; Y388-K401 PolarHBondContact N-O 2.83Å
402	V	91.5	Very high	90.7	Very high	62 Å²	62	61.4 Å²	61.4	38%	0.376	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.9	165	-178.8	0	0	0	0	107.3	E385 L399 P404	E385-V402 HydrophobicContact CB-CG1 3.92Å; E385-V402 WeakPolarHBondContact OE2-CG1 3.28Å; L399-V402 HydrophobicContact CD1-CG2 4.08Å; L399-V402 HydrophobicContact CD2-CG2 3.83Å; L399-V402 HydrophobicContact CG-CG2 4.22Å; V402-P404 WeakPolarHBondContact O-CD 3.22Å
403	D	91.6	Very high	91.2	Very high	41 Å²	41	59.8 Å²	59.8	22%	0.219	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	97.9	175.7	-171.9	-9.8	0	0	0	110.1	K386 Y388 N405 G406	K386-D403 HydrophobicContact CB-CB 4.29Å; K386-D403 PolarHBondContact N-O 3.29Å; K386-D403 PolarHBondContact O-N 2.8Å; Y388-D403 HydrophobicContact CE2-CB 4.24Å; D403-N405 PolarHBondContact O-N 2.97Å; D403-N405 VanDerWaalsContact O-N 3.17Å; D403-N405 PolarHBondContact OD1-N 2.89Å; D403-G406 PolarHBondContact O-N 3.16Å; D403-G406 PolarHBondContact OD1-N 3.08Å; D403-G406 VanDerWaalsContact OD1-N 3.16Å
404	P	88.2	Confident	91.7	Very high	48 Å²	48	52.4 Å²	52.4	31%	0.312	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.6	-178	29	-35.4	0	0	0	112.7	E385 V402 R442	E385-P404 HydrophobicContact CG-CB 4.38Å; V402-P404 WeakPolarHBondContact O-CD 3.22Å; P404-R442 PolarHBondContact O-NH1 3.46Å
405	N	89.2	Confident	92	Very high	109 Å²	109	49.2 Å²	49.2	58%	0.583	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	5.8	-177.3	-61	-54.9	0	0	0	112.8	D403 T409	D403-N405 PolarHBondContact O-N 2.97Å; D403-N405 VanDerWaalsContact O-N 3.17Å; D403-N405 PolarHBondContact OD1-N 2.89Å; N405-T409 WeakPolarHBondContact O-CG2 3.44Å
406	G	90.3	Very high	92.5	Very high	11 Å²	11	47.9 Å²	47.9	11%	0.113	25%	0.247	C	C	.	.	S	Bend	trans	-72.6	-28.5	-175.5	0	0	0	0	0	114.4	Q298 D403	Q298-G406 VanDerWaalsContact CB-O 3.23Å; Q298-G406 WeakPolarHBondContact CB-O 3.13Å; D403-G406 PolarHBondContact O-N 3.16Å; D403-G406 PolarHBondContact OD1-N 3.08Å; D403-G406 VanDerWaalsContact OD1-N 3.16Å
407	I	92	Very high	92.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-96.1	150.7	177.9	-61.1	-55.7	0	0	0	110.5	Q298 A300 I328 E381 A384 K386 K436	Q298-I407 CarbonylContact O-C 3.54Å; Q298-I407 VanDerWaalsContact O-CA 3.31Å; Q298-I407 WeakPolarHBondContact O-CA 3.18Å; Q298-I407 WeakPolarHBondContact O-CG2 3.1Å; A300-I407 HydrophobicContact CB-CD1 4.01Å; A300-I407 HydrophobicContact CB-CG1 4.17Å; A300-I407 HydrophobicContact CB-CG2 3.56Å; I328-I407 HydrophobicContact CD1-CD1 3.78Å; I328-I407 HydrophobicContact CG1-CD1 3.89Å; I328-I407 HydrophobicContact CG2-CD1 4Å; E381-I407 WeakPolarHBondContact O-CG2 3.48Å; A384-I407 HydrophobicContact CB-CG1 4.22Å; A384-I407 HydrophobicContact CB-CG2 4.3Å; A384-I407 VanDerWaalsContact O-CB 3.24Å; A384-I407 WeakPolarHBondContact O-CB 3.44Å; A384-I407 VanDerWaalsContact O-CG1 3.31Å; A384-I407 WeakPolarHBondContact O-CG1 3.46Å; K386-I407 HydrophobicContact CB-CD1 4.49Å; K386-I407 HydrophobicContact CB-CG1 4.34Å; I407-K436 PolarHBondContact O-NZ 3.36Å
408	G	92.5	Very high	92	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	65	57.5	170.4	0	0	0	0	0	113	Q298 L411 K436	Q298-G408 PolarHBondContact O-N 2.91Å; G408-L411 VanDerWaalsContact O-CD1 3.27Å; G408-L411 WeakPolarHBondContact O-CD1 3.27Å; G408-K436 WeakPolarHBondContact O-CE 3.48Å; G408-K436 PolarHBondContact O-NZ 2.89Å
409	T	93.7	Very high	91.2	Very high	32 Å²	32	52.7 Å²	52.7	20%	0.196	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	150.4	-176.8	61.6	0	0	0	0	111.1	S176 Y297 N405 L411	S176-T409 WeakPolarHBondContact CB-OG1 2.98Å; Y297-T409 WeakPolarHBondContact CB-O 3.32Å; Y297-T409 WeakPolarHBondContact CB-OG1 3.34Å; Y297-T409 PolarHBondContact N-O 2.72Å; Y297-T409 PolarHBondContact O-N 3.28Å; Y297-T409 PolarHBondContact O-OG1 3.41Å; N405-T409 WeakPolarHBondContact O-CG2 3.44Å; T409-L411 VanDerWaalsContact C-N 3.32Å; T409-L411 PolarHBondContact O-N 3.12Å
410	C	94.3	Very high	90.2	Very high	23 Å²	23	51.8 Å²	51.8	16%	0.155	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	52.3	44.6	167.6	-165	0	0	0	0	113.5	Y297 T412 R428	Y297-C410 HydrophobicContact CD2-CB 3.75Å; Y297-C410 VanDerWaalsContact CD2-O 3.3Å; Y297-C410 WeakPolarHBondContact CD2-O 3.17Å; Y297-C410 HydrophobicContact CE2-CB 4.37Å; C410-T412 WeakPolarHBondContact O-CB 3.27Å; C410-T412 PolarHBondContact O-N 3.39Å; C410-T412 VanDerWaalsContact O-N 3.12Å; C410-T412 PolarHBondContact O-OG1 3.4Å; C410-R428 PolarHBondContact SG-NH1 3.35Å
411	L	96.5	Very high	88.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	121.2	179.2	-69.7	79	0	0	0	109.3	I294 T295 C296 W334 V382 G408 T409 D430 V431 T432 Y435	I294-L411 HydrophobicContact CG2-CB 4.42Å; I294-L411 HydrophobicContact CG2-CD2 4.41Å; T295-L411 CarbonylContact O-C 3.58Å; T295-L411 VanDerWaalsContact O-CA 3.28Å; T295-L411 WeakPolarHBondContact O-CA 3.3Å; C296-L411 HydrophobicContact CB-CD2 4.4Å; C296-L411 HydrophobicContact CB-CG 4.08Å; W334-L411 HydrophobicContact CH2-CD2 4.3Å; W334-L411 HydrophobicContact CZ2-CD2 3.99Å; V382-L411 HydrophobicContact CG1-CD2 4.01Å; G408-L411 VanDerWaalsContact O-CD1 3.27Å; G408-L411 WeakPolarHBondContact O-CD1 3.27Å; T409-L411 VanDerWaalsContact C-N 3.32Å; T409-L411 PolarHBondContact O-N 3.12Å; L411-D430 CarbonylContact O-C 3.57Å; L411-D430 WeakPolarHBondContact O-CA 3.1Å; L411-V431 HydrophobicContact CB-CG2 4.02Å; L411-V431 PolarHBondContact O-N 3.25Å; L411-T432 HydrophobicContact CD1-CG2 3.98Å; L411-T432 PolarHBondContact N-OG1 2.97Å; L411-Y435 HydrophobicContact CD2-CD1 3.8Å; L411-Y435 HydrophobicContact CD2-CD2 3.5Å; L411-Y435 HydrophobicContact CD2-CE1 4.23Å; L411-Y435 HydrophobicContact CD2-CE2 4.01Å; L411-Y435 HydrophobicContact CD2-CG 3.38Å
412	T	96.9	Very high	88.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.1	-161.6	-71	0	0	0	0	110.7	W172 I294 T295 C410 R428 L429	W172-T412 HydrophobicContact CB-CG2 4.05Å; W172-T412 HydrophobicContact CD2-CG2 3.41Å; W172-T412 VanDerWaalsContact CD2-CG2 3.41Å; W172-T412 HydrophobicContact CE3-CG2 3.7Å; W172-T412 HydrophobicContact CG-CG2 3.56Å; W172-T412 HydrophobicContact CZ3-CG2 4.37Å; I294-T412 WeakPolarHBondContact CA-O 3.49Å; T295-T412 PolarHBondContact N-O 3.16Å; T295-T412 PolarHBondContact O-N 3.08Å; C410-T412 WeakPolarHBondContact O-CB 3.27Å; C410-T412 PolarHBondContact O-N 3.39Å; C410-T412 VanDerWaalsContact O-N 3.12Å; C410-T412 PolarHBondContact O-OG1 3.4Å; T412-R428 HydrophobicContact CG2-CG 3.24Å; T412-R428 PolarHBondContact OG1-NH1 2.9Å; T412-L429 WeakPolarHBondContact CA-O 3.06Å
413	T	96.9	Very high	87.8	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	173.1	168.1	-164	0	0	0	0	110.6	I293 I294 L429 V431	I293-T413 VanDerWaalsContact O-CB 3.28Å; I293-T413 WeakPolarHBondContact O-CB 3.49Å; I293-T413 PolarHBondContact O-OG1 2.85Å; I294-T413 HydrophobicContact CD1-CG2 4.24Å; T413-L429 HydrophobicContact CG2-CB 3.99Å; T413-L429 HydrophobicContact CG2-CD2 3.92Å; T413-L429 HydrophobicContact CG2-CG 4.19Å; T413-L429 PolarHBondContact N-O 2.77Å; T413-L429 PolarHBondContact O-N 3.12Å; T413-V431 HydrophobicContact CG2-CG1 3.86Å
414	K	95	Very high	87.7	Confident	11 Å²	11	54.2 Å²	54.2	5%	0.048	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	134.8	174.3	-176.9	176	170.2	-64.1	0	110.2	E162 W172 R418	E162-K414 VanDerWaalsContact OE1-CD 3.32Å; E162-K414 WeakPolarHBondContact OE1-CD 3.37Å; E162-K414 WeakPolarHBondContact OE1-CE 3.44Å; E162-K414 IonicContact OE1-NZ 3.36Å; E162-K414 PolarHBondContact OE1-NZ 3.43Å; E162-K414 IonicContact OE2-NZ 3.72Å; E162-K414 PolarHBondContact OE2-NZ 2.98Å; W172-K414 HydrophobicContact CH2-CB 3.88Å; W172-K414 HydrophobicContact CH2-CG 4.37Å; W172-K414 HydrophobicContact CZ3-CB 3.88Å; K414-R418 PolarHBondContact NZ-O 3.36Å
415	L	94	Very high	87.8	Confident	50 Å²	50	55 Å²	55	26%	0.262	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-70.5	128.2	172.6	-173.1	65.6	0	0	0	110.1	R418 D427 L429	L415-R418 HydrophobicContact CB-CG 4.21Å; L415-R418 HydrophobicContact CD2-CG 3.71Å; L415-R418 HydrophobicContact CG-CG 4.05Å; L415-D427 WeakPolarHBondContact CB-O 3.49Å; L415-D427 PolarHBondContact N-O 2.81Å; L415-L429 HydrophobicContact CB-CB 4.13Å; L415-L429 HydrophobicContact CD1-CB 4.08Å; L415-L429 HydrophobicContact CD1-CD1 4.02Å; L415-L429 HydrophobicContact CD1-CD2 4.19Å; L415-L429 HydrophobicContact CD1-CG 4.32Å
416	P	93.2	Very high	87.9	Confident	14 Å²	14	57 Å²	57	9%	0.091	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	154.1	173.3	-26.7	37	0	0	0	113.9	D159 E162 Y163 R418	D159-P416 HydrophobicContact CB-CB 3.74Å; D159-P416 HydrophobicContact CB-CG 3.95Å; D159-P416 VanDerWaalsContact CG-CB 3.45Å; D159-P416 WeakPolarHBondContact OD1-CB 3.45Å; E162-P416 HydrophobicContact CB-CB 3.97Å; E162-P416 HydrophobicContact CG-CB 4.09Å; E162-P416 HydrophobicContact CG-CG 4.31Å; Y163-P416 HydrophobicContact CE1-CG 4.05Å; Y163-P416 HydrophobicContact CE2-CG 4.06Å; Y163-P416 VanDerWaalsContact CZ-CG 3.45Å; Y163-P416 WeakPolarHBondContact OH-CG 3.23Å; P416-R418 PolarHBondContact O-N 3.27Å
417	G	85	Confident	87.9	Confident	72 Å²	72	56.7 Å²	56.7	74%	0.742	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	-7.2	174.9	0	0	0	0	0	115.8
418	R	81.9	Confident	88	Confident	153 Å²	153	60.1 Å²	60.1	58%	0.577	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-86.1	125.4	175.7	-63.7	-59	-177.5	170.3	-2.4	111.3	K414 L415 P416 D427	K414-R418 PolarHBondContact NZ-O 3.36Å; L415-R418 HydrophobicContact CB-CG 4.21Å; L415-R418 HydrophobicContact CD2-CG 3.71Å; L415-R418 HydrophobicContact CG-CG 4.05Å; P416-R418 PolarHBondContact O-N 3.27Å; R418-D427 HydrophobicContact CB-CB 3.85Å; R418-D427 HydrophobicContact CG-CB 4.41Å
419	R	74.3	Confident	88.1	Confident	196 Å²	196	62.6 Å²	62.6	74%	0.74	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-73.2	150.9	171.2	-68.1	-174.3	178.7	-177.7	-1.1	110.9	Y421	R419-Y421 HydrophobicContact CB-CE2 3.96Å; R419-Y421 WeakPolarHBondContact O-CD2 3.46Å; R419-Y421 PolarHBondContact O-N 3.04Å
420	F	71	Confident	88.2	Confident	60 Å²	60	64.5 Å²	64.5	26%	0.263	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-62.7	118	174	-62.1	-78.5	0	0	0	111.1	V168 K170 F183	V168-F420 HydrophobicContact CB-CE2 3.86Å; V168-F420 HydrophobicContact CB-CZ 3.78Å; V168-F420 HydrophobicContact CG2-CD2 4.19Å; V168-F420 HydrophobicContact CG2-CE2 3.21Å; V168-F420 HydrophobicContact CG2-CZ 3.65Å; K170-F420 HydrophobicContact CG-CD1 4.43Å; K170-F420 HydrophobicContact CG-CE1 4.07Å; F183-F420 AromaticContact CD1-CD1 3.92Å; F183-F420 HydrophobicContact CD1-CD1 3.92Å; F183-F420 HydrophobicContact CD1-CE1 4.04Å; F183-F420 HydrophobicContact CE1-CB 4.29Å; F183-F420 AromaticContact CE1-CD1 3.46Å; F183-F420 HydrophobicContact CE1-CD1 3.46Å; F183-F420 VanDerWaalsContact CE1-CD1 3.46Å; F183-F420 HydrophobicContact CE1-CE1 4.06Å; F183-F420 HydrophobicContact CE1-CG 4.09Å
421	Y	66.2	Low	88.3	Confident	157 Å²	157	63.8 Å²	63.8	62%	0.616	32%	0.319	S	S	*	.			trans	-124.8	95.1	161.3	-62.6	-71.5	0	0	0	108.2	R419 N424	R419-Y421 HydrophobicContact CB-CE2 3.96Å; R419-Y421 WeakPolarHBondContact O-CD2 3.46Å; R419-Y421 PolarHBondContact O-N 3.04Å; Y421-N424 PolarHBondContact O-ND2 3.35Å
422	G	76.1	Confident	88.2	Confident	45 Å²	45	65 Å²	65	46%	0.464	33%	0.326	S	S	.	.	S	Bend	trans	62.5	-172.5	176.7	0	0	0	0	0	115.9	K170 N424	K170-G422 WeakPolarHBondContact CE-O 3.5Å; K170-G422 PolarHBondContact NZ-O 2.78Å; K170-G422 VanDerWaalsContact NZ-O 3.16Å; G422-N424 VanDerWaalsContact C-N 3.33Å; G422-N424 PolarHBondContact O-N 3.36Å
423	L	84.1	Confident	88.1	Confident	105 Å²	105	76.2 Å²	76.2	55%	0.55	37%	0.368	S	S	.	.	S	Bend	trans	-93.9	62	176	-70.3	174.9	0	0	0	110.3	P181 F183	P181-L423 HydrophobicContact CG-CB 4.3Å; F183-L423 HydrophobicContact CD2-CD1 4.4Å; F183-L423 HydrophobicContact CD2-CD2 3.33Å; F183-L423 HydrophobicContact CD2-CG 3.97Å; F183-L423 HydrophobicContact CE1-CD2 4.44Å; F183-L423 HydrophobicContact CE2-CD1 4.19Å; F183-L423 HydrophobicContact CE2-CD2 3.22Å; F183-L423 HydrophobicContact CE2-CG 3.47Å; F183-L423 VanDerWaalsContact CE2-CG 3.47Å; F183-L423 HydrophobicContact CG-CD2 4.01Å; F183-L423 HydrophobicContact CZ-CD2 3.81Å; F183-L423 HydrophobicContact CZ-CG 4.17Å
424	N	89.8	Confident	87.8	Confident	50 Å²	50	80.9 Å²	80.9	27%	0.267	40%	0.4	S	S	.	.			trans	-115.2	175.2	173.8	75.1	28.3	0	0	0	111.4	K170 P181 Y421 G422 E426	K170-N424 PolarHBondContact NZ-O 3.32Å; P181-N424 WeakPolarHBondContact CG-O 3.39Å; Y421-N424 PolarHBondContact O-ND2 3.35Å; G422-N424 VanDerWaalsContact C-N 3.33Å; G422-N424 PolarHBondContact O-N 3.36Å; N424-E426 VanDerWaalsContact ND2-CD 3.28Å; N424-E426 PolarHBondContact ND2-OE2 3.33Å; N424-E426 WeakPolarHBondContact OD1-CB 3.43Å; N424-E426 PolarHBondContact OD1-N 2.88Å
425	N	91.2	Very high	87.7	Confident	63 Å²	63	81.6 Å²	81.6	34%	0.337	40%	0.402	S	S	.	.	S	Bend	trans	-100.1	14.9	-178	-75.8	-53.6	0	0	0	113.7	W172 P179 D427 R428	W172-N425 PolarHBondContact NE1-OD1 2.79Å; P179-N425 PolarHBondContact O-ND2 2.73Å; N425-D427 VanDerWaalsContact C-N 3.29Å; N425-D427 PolarHBondContact O-N 3.23Å; N425-R428 HydrophobicContact CB-CB 4.36Å; N425-R428 WeakPolarHBondContact O-CB 3.49Å; N425-R428 PolarHBondContact O-N 2.75Å
426	E	90.8	Very high	87.5	Confident	151 Å²	151	81.6 Å²	81.6	71%	0.706	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-23.7	-175.5	-64.7	177.1	158.4	0	0	113.2	N424	N424-E426 VanDerWaalsContact ND2-CD 3.28Å; N424-E426 PolarHBondContact ND2-OE2 3.33Å; N424-E426 WeakPolarHBondContact OD1-CB 3.43Å; N424-E426 PolarHBondContact OD1-N 2.88Å
427	D	90.4	Very high	87.1	Confident	6 Å²	6	82.8 Å²	82.8	3%	0.032	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	16.9	175	61.2	-14.6	0	0	0	112.5	K170 L415 R418 N425	K170-D427 VanDerWaalsContact CD-OD2 3.31Å; K170-D427 WeakPolarHBondContact CD-OD2 3.27Å; K170-D427 WeakPolarHBondContact CE-OD2 3.34Å; K170-D427 IonicContact NZ-OD1 2.68Å; K170-D427 PolarHBondContact NZ-OD1 3Å; K170-D427 IonicContact NZ-OD2 2.7Å; K170-D427 PolarHBondContact NZ-OD2 3.47Å; L415-D427 WeakPolarHBondContact CB-O 3.49Å; L415-D427 PolarHBondContact N-O 2.81Å; R418-D427 HydrophobicContact CB-CB 3.85Å; R418-D427 HydrophobicContact CG-CB 4.41Å; N425-D427 VanDerWaalsContact C-N 3.29Å; N425-D427 PolarHBondContact O-N 3.23Å
428	R	93.7	Very high	87.1	Confident	72 Å²	72	82.8 Å²	82.8	27%	0.272	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	127.1	174.5	-165.1	-173.4	73.3	96.9	-1.8	110.3	W172 C410 T412 N425 D430	W172-R428 HydrophobicContact CZ2-CB 3.79Å; W172-R428 HydrophobicContact CZ2-CG 3.93Å; C410-R428 PolarHBondContact SG-NH1 3.35Å; T412-R428 HydrophobicContact CG2-CG 3.24Å; T412-R428 PolarHBondContact OG1-NH1 2.9Å; N425-R428 HydrophobicContact CB-CB 4.36Å; N425-R428 WeakPolarHBondContact O-CB 3.49Å; N425-R428 PolarHBondContact O-N 2.75Å; R428-D430 IonicContact CZ-OD2 2.93Å; R428-D430 IonicContact NH1-OD2 3.92Å; R428-D430 PolarHBondContact NH1-OD2 3.49Å; R428-D430 VanDerWaalsContact NH1-OD2 3.08Å; R428-D430 IonicContact NH2-OD2 3.69Å; R428-D430 PolarHBondContact NH2-OD2 2.91Å
429	L	95	Very high	87.1	Confident	51 Å²	51	79.6 Å²	79.6	27%	0.267	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.2	168.2	176.8	62.8	0	0	0	109.7	T412 T413 L415 V431	T412-L429 WeakPolarHBondContact CA-O 3.06Å; T413-L429 HydrophobicContact CG2-CB 3.99Å; T413-L429 HydrophobicContact CG2-CD2 3.92Å; T413-L429 HydrophobicContact CG2-CG 4.19Å; T413-L429 PolarHBondContact N-O 2.77Å; T413-L429 PolarHBondContact O-N 3.12Å; L415-L429 HydrophobicContact CB-CB 4.13Å; L415-L429 HydrophobicContact CD1-CB 4.08Å; L415-L429 HydrophobicContact CD1-CD1 4.02Å; L415-L429 HydrophobicContact CD1-CD2 4.19Å; L415-L429 HydrophobicContact CD1-CG 4.32Å; L429-V431 HydrophobicContact CD2-CG1 3.97Å; L429-V431 HydrophobicContact CG-CG1 3.91Å
430	D	95.9	Very high	87.4	Confident	73 Å²	73	73.5 Å²	73.5	39%	0.39	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.6	173.5	-161.2	-53.4	0	0	0	110.4	L411 R428 T432	L411-D430 CarbonylContact O-C 3.57Å; L411-D430 WeakPolarHBondContact O-CA 3.1Å; R428-D430 IonicContact CZ-OD2 2.93Å; R428-D430 IonicContact NH1-OD2 3.92Å; R428-D430 PolarHBondContact NH1-OD2 3.49Å; R428-D430 VanDerWaalsContact NH1-OD2 3.08Å; R428-D430 IonicContact NH2-OD2 3.69Å; R428-D430 PolarHBondContact NH2-OD2 2.91Å; D430-T432 WeakPolarHBondContact OD1-CB 3.28Å; D430-T432 PolarHBondContact OD1-N 2.78Å; D430-T432 PolarHBondContact OD1-OG1 3Å
431	V	96.7	Very high	87.8	Confident	8 Å²	8	74.9 Å²	74.9	5%	0.048	40%	0.4	C	S	.	.			trans	-109.3	15	-178.9	-62.5	0	0	0	0	112.4	I294 L411 T413 L429 R433 C434 Y435	I294-V431 HydrophobicContact CD1-CG2 4.05Å; L411-V431 HydrophobicContact CB-CG2 4.02Å; L411-V431 PolarHBondContact O-N 3.25Å; T413-V431 HydrophobicContact CG2-CG1 3.86Å; L429-V431 HydrophobicContact CD2-CG1 3.97Å; L429-V431 HydrophobicContact CG-CG1 3.91Å; V431-R433 PolarHBondContact O-N 2.72Å; V431-R433 VanDerWaalsContact O-N 3.11Å; V431-C434 WeakPolarHBondContact O-CB 3.35Å; V431-C434 PolarHBondContact O-N 2.9Å; V431-Y435 HydrophobicContact CG2-CE2 4.35Å
432	T	95	Very high	88.3	Confident	25 Å²	25	68.8 Å²	68.8	15%	0.153	38%	0.376	C	S	.	.	H	α-helix	trans	-51.6	-40.9	-176.9	-57.1	0	0	0	0	112.7	L411 D430 C434 Y435 K436	L411-T432 HydrophobicContact CD1-CG2 3.98Å; L411-T432 PolarHBondContact N-OG1 2.97Å; D430-T432 WeakPolarHBondContact OD1-CB 3.28Å; D430-T432 PolarHBondContact OD1-N 2.78Å; D430-T432 PolarHBondContact OD1-OG1 3Å; T432-C434 PolarHBondContact O-N 3.38Å; T432-Y435 PolarHBondContact O-N 2.94Å; T432-Y435 VanDerWaalsContact O-N 3.14Å; T432-K436 HydrophobicContact CG2-CG 3.79Å; T432-K436 WeakPolarHBondContact O-CG 3.45Å; T432-K436 PolarHBondContact O-N 2.8Å
433	R	93.5	Very high	88.3	Confident	236 Å²	236	74.7 Å²	74.7	89%	0.891	39%	0.389	S	S	*	.	H	α-helix	trans	-63.6	-23.9	-179	-69	-177.4	178.1	169.5	-0.1	113.9	V431 Y435	V431-R433 PolarHBondContact O-N 2.72Å; V431-R433 VanDerWaalsContact O-N 3.11Å; R433-Y435 VanDerWaalsContact C-N 3.28Å
434	C	92	Very high	87.9	Confident	101 Å²	101	74 Å²	74	68%	0.682	39%	0.385	S	S	*	.	H	α-helix	trans	-73.2	-22.9	178.5	-59.3	0	0	0	0	112.5	V431 T432	V431-C434 WeakPolarHBondContact O-CB 3.35Å; V431-C434 PolarHBondContact O-N 2.9Å; T432-C434 PolarHBondContact O-N 3.38Å
435	Y	91.1	Very high	86.9	Confident	25 Å²	25	73.7 Å²	73.7	10%	0.098	38%	0.383	C	S	.	.	H	α-helix	trans	-104.7	-24.2	-175.3	-79.1	-98.8	0	0	0	113.8	W334 E336 V353 V382 N383 L411 V431 T432 R433 L437	W334-Y435 HydrophobicContact CZ2-CD1 4.26Å; W334-Y435 AromaticContact CZ2-CE1 3.63Å; W334-Y435 HydrophobicContact CZ2-CE1 3.63Å; W334-Y435 AromaticContact NE1-CE1 3.97Å; W334-Y435 AromaticContact NE1-CZ 3.79Å; W334-Y435 PolarHBondContact NE1-OH 2.98Å; E336-Y435 VanDerWaalsContact CG-OH 3.3Å; E336-Y435 WeakPolarHBondContact CG-OH 3.34Å; E336-Y435 WeakPolarHBondContact OE1-CE2 3.45Å; E336-Y435 PolarHBondContact OE1-OH 3.19Å; V353-Y435 HydrophobicContact CG2-CE1 3.7Å; V353-Y435 WeakPolarHBondContact CG2-OH 3.49Å; V382-Y435 HydrophobicContact CG1-CD1 4.14Å; V382-Y435 HydrophobicContact CG2-CD1 4.14Å; N383-Y435 PolarHBondContact ND2-O 2.83Å; L411-Y435 HydrophobicContact CD2-CD1 3.8Å; L411-Y435 HydrophobicContact CD2-CD2 3.5Å; L411-Y435 HydrophobicContact CD2-CE1 4.23Å; L411-Y435 HydrophobicContact CD2-CE2 4.01Å; L411-Y435 HydrophobicContact CD2-CG 3.38Å; V431-Y435 HydrophobicContact CG2-CE2 4.35Å; T432-Y435 PolarHBondContact O-N 2.94Å; T432-Y435 VanDerWaalsContact O-N 3.14Å; R433-Y435 VanDerWaalsContact C-N 3.28Å; Y435-L437 PolarHBondContact O-N 3.42Å
436	K	89.8	Confident	85.8	Confident	50 Å²	50	72.5 Å²	72.5	22%	0.217	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-77.3	128	-174.4	-71.4	-64.1	-171.3	-179.3	0	111.7	V382 N383 I407 G408 T432	V382-K436 WeakPolarHBondContact O-CE 3.2Å; V382-K436 PolarHBondContact O-NZ 3.4Å; N383-K436 WeakPolarHBondContact OD1-CA 3.18Å; N383-K436 WeakPolarHBondContact OD1-CD 3.43Å; I407-K436 PolarHBondContact O-NZ 3.36Å; G408-K436 WeakPolarHBondContact O-CE 3.48Å; G408-K436 PolarHBondContact O-NZ 2.89Å; T432-K436 HydrophobicContact CG2-CG 3.79Å; T432-K436 WeakPolarHBondContact O-CG 3.45Å; T432-K436 PolarHBondContact O-N 2.8Å
437	L	85.7	Confident	84.4	Confident	40 Å²	40	67.2 Å²	67.2	21%	0.209	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-68.7	143.3	170.5	-64.4	-179.9	0	0	0	110.8	M307 I379 N383 Y435 M441 R442 I445	M307-L437 HydrophobicContact CE-CD1 4.26Å; I379-L437 HydrophobicContact CG2-CD1 3.75Å; I379-L437 HydrophobicContact CG2-CG 4.44Å; N383-L437 HydrophobicContact CB-CD1 4.25Å; N383-L437 HydrophobicContact CB-CG 4.4Å; N383-L437 PolarHBondContact OD1-N 3.12Å; Y435-L437 PolarHBondContact O-N 3.42Å; L437-M441 HydrophobicContact CB-CB 4.35Å; L437-M441 HydrophobicContact CD1-CG 4.46Å; L437-M441 HydrophobicContact CD2-CG 4.01Å; L437-R442 HydrophobicContact CB-CG 3.69Å; L437-R442 HydrophobicContact CD1-CG 4.27Å; L437-R442 PolarHBondContact O-NE 3.43Å; L437-I445 HydrophobicContact CD1-CD1 3.57Å
438	S	84.4	Confident	83	Confident	72 Å²	72	72.8 Å²	72.8	50%	0.503	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-62.3	153.5	168.4	72.5	0	0	0	0	110.7	A440 M441 R442	S438-A440 PolarHBondContact O-N 3.45Å; S438-M441 PolarHBondContact O-N 3.06Å; S438-M441 PolarHBondContact OG-N 3.28Å; S438-R442 WeakPolarHBondContact O-CG 3.49Å; S438-R442 PolarHBondContact O-N 3.4Å
439	A	81.4	Confident	81.4	Confident	85 Å²	85	70.2 Å²	70.2	70%	0.702	39%	0.387	S	S	*	.	H	α-helix	trans	-55.7	-35	177.5	0	0	0	0	0	112.6	K443	A439-K443 PolarHBondContact O-N 3.2Å
440	A	80.7	Confident	79.3	Confident	68 Å²	68	72.9 Å²	72.9	56%	0.562	40%	0.401	S	S	*	.	H	α-helix	trans	-64.7	-46.1	175.6	0	0	0	0	0	112	S438 K443 I444	S438-A440 PolarHBondContact O-N 3.45Å; A440-K443 PolarHBondContact O-N 3.33Å; A440-I444 WeakPolarHBondContact O-CG1 3.46Å; A440-I444 PolarHBondContact O-N 3.26Å
441	M	81.3	Confident	76.5	Confident	89 Å²	89	72 Å²	72	44%	0.438	41%	0.405	S	S	.	.	H	α-helix	trans	-66.9	-39.4	179.7	-167.8	68.9	89.1	0	0	111.7	L437 S438 K443 I444 I445	L437-M441 HydrophobicContact CB-CB 4.35Å; L437-M441 HydrophobicContact CD1-CG 4.46Å; L437-M441 HydrophobicContact CD2-CG 4.01Å; S438-M441 PolarHBondContact O-N 3.06Å; S438-M441 PolarHBondContact OG-N 3.28Å; M441-K443 VanDerWaalsContact C-N 3.32Å; M441-K443 PolarHBondContact O-N 3.14Å; M441-I444 WeakPolarHBondContact O-CB 3.41Å; M441-I444 PolarHBondContact O-N 2.88Å; M441-I444 VanDerWaalsContact O-N 3.12Å; M441-I445 HydrophobicContact CG-CD1 4.03Å; M441-I445 HydrophobicContact CG-CG1 4.39Å; M441-I445 WeakPolarHBondContact O-CG1 3.45Å; M441-I445 PolarHBondContact O-N 2.7Å
442	R	76.2	Confident	73.9	Confident	29 Å²	29	76.2 Å²	76.2	11%	0.109	43%	0.43	C	S	.	.	H	α-helix	trans	-55.8	-47.1	175.6	-71.9	173.1	171.4	-121.2	-4.1	111.9	N383 P404 L437 S438 I444 I445 S446	N383-R442 PolarHBondContact OD1-NH2 2.99Å; P404-R442 PolarHBondContact O-NH1 3.46Å; L437-R442 HydrophobicContact CB-CG 3.69Å; L437-R442 HydrophobicContact CD1-CG 4.27Å; L437-R442 PolarHBondContact O-NE 3.43Å; S438-R442 WeakPolarHBondContact O-CG 3.49Å; S438-R442 PolarHBondContact O-N 3.4Å; R442-I444 VanDerWaalsContact C-N 3.27Å; R442-I444 PolarHBondContact O-N 3.42Å; R442-I445 PolarHBondContact O-N 2.95Å; R442-S446 WeakPolarHBondContact O-CB 3.42Å; R442-S446 PolarHBondContact O-N 3.09Å; R442-S446 PolarHBondContact O-OG 3.14Å; R442-S446 VanDerWaalsContact O-OG 3.08Å
443	K	74.6	Confident	71.1	Confident	169 Å²	169	78.2 Å²	78.2	74%	0.735	45%	0.445	S	S	*	.	H	α-helix	trans	-62.1	-34.6	178.2	-171.4	176.3	-179.7	179.8	0	112.9	A439 A440 M441 S446 G447	A439-K443 PolarHBondContact O-N 3.2Å; A440-K443 PolarHBondContact O-N 3.33Å; M441-K443 VanDerWaalsContact C-N 3.32Å; M441-K443 PolarHBondContact O-N 3.14Å; K443-S446 PolarHBondContact O-OG 2.88Å; K443-G447 PolarHBondContact O-N 3.4Å; K443-G447 VanDerWaalsContact O-N 3.14Å
444	I	75.8	Confident	68.1	Low	91 Å²	91	70.9 Å²	70.9	47%	0.467	44%	0.435	S	S	.	.	H	α-helix	trans	-68.6	-49.9	176.5	-66.5	167.1	0	0	0	110	A440 M441 R442 G447 M448	A440-I444 WeakPolarHBondContact O-CG1 3.46Å; A440-I444 PolarHBondContact O-N 3.26Å; M441-I444 WeakPolarHBondContact O-CB 3.41Å; M441-I444 PolarHBondContact O-N 2.88Å; M441-I444 VanDerWaalsContact O-N 3.12Å; R442-I444 VanDerWaalsContact C-N 3.27Å; R442-I444 PolarHBondContact O-N 3.42Å; I444-G447 PolarHBondContact O-N 3.02Å; I444-M448 HydrophobicContact CG2-CE 4.06Å; I444-M448 HydrophobicContact CG2-SD 4.29Å; I444-M448 WeakPolarHBondContact O-CG 3.43Å; I444-M448 PolarHBondContact O-N 3.01Å
445	I	70.4	Confident	65.2	Low	43 Å²	43	71.6 Å²	71.6	22%	0.221	44%	0.436	C	S	.	.	H	α-helix	trans	-67.3	-44.7	-176.3	-63.8	179.7	0	0	0	111.2	M307 L437 M441 R442 G447 M448 A449	M307-I445 HydrophobicContact CG-CG2 3.83Å; M307-I445 HydrophobicContact SD-CG2 4.45Å; L437-I445 HydrophobicContact CD1-CD1 3.57Å; M441-I445 HydrophobicContact CG-CD1 4.03Å; M441-I445 HydrophobicContact CG-CG1 4.39Å; M441-I445 WeakPolarHBondContact O-CG1 3.45Å; M441-I445 PolarHBondContact O-N 2.7Å; R442-I445 PolarHBondContact O-N 2.95Å; I445-G447 VanDerWaalsContact C-N 3.29Å; I445-G447 PolarHBondContact O-N 3.11Å; I445-M448 WeakPolarHBondContact O-CB 3.49Å; I445-M448 PolarHBondContact O-N 2.9Å; I445-M448 VanDerWaalsContact O-N 3.12Å; I445-A449 PolarHBondContact O-N 3.39Å
446	S	66.7	Low	62.1	Low	39 Å²	39	78.6 Å²	78.6	27%	0.273	49%	0.487	S	S	.	.	H	α-helix	trans	-63.8	-36.8	176.4	65.2	0	0	0	0	112	R442 K443 M448 A449 N450	R442-S446 WeakPolarHBondContact O-CB 3.42Å; R442-S446 PolarHBondContact O-N 3.09Å; R442-S446 PolarHBondContact O-OG 3.14Å; R442-S446 VanDerWaalsContact O-OG 3.08Å; K443-S446 PolarHBondContact O-OG 2.88Å; S446-M448 VanDerWaalsContact C-N 3.33Å; S446-M448 PolarHBondContact O-N 2.92Å; S446-A449 PolarHBondContact O-N 3.2Å; S446-N450 PolarHBondContact O-N 3.32Å; S446-N450 VanDerWaalsContact O-N 3.12Å; S446-N450 PolarHBondContact O-ND2 2.97Å
447	G	63.1	Low	60.8	Low	39 Å²	39	80 Å²	80	40%	0.402	50%	0.5	S	S	.	.	H	α-helix	trans	-61.6	-38.1	172.1	0	0	0	0	0	113.2	K443 I444 I445 A451	K443-G447 PolarHBondContact O-N 3.4Å; K443-G447 VanDerWaalsContact O-N 3.14Å; I444-G447 PolarHBondContact O-N 3.02Å; I445-G447 VanDerWaalsContact C-N 3.29Å; I445-G447 PolarHBondContact O-N 3.11Å; G447-A451 PolarHBondContact O-N 2.99Å
448	M	60.6	Low	59.4	Low	124 Å²	124	82.1 Å²	82.1	61%	0.611	52%	0.515	S	S	*	.	H	α-helix	trans	-70.4	-43.3	176	-72.7	177.9	169.4	0	0	112.3	I444 I445 S446 N450 A451 V452	I444-M448 HydrophobicContact CG2-CE 4.06Å; I444-M448 HydrophobicContact CG2-SD 4.29Å; I444-M448 WeakPolarHBondContact O-CG 3.43Å; I444-M448 PolarHBondContact O-N 3.01Å; I445-M448 WeakPolarHBondContact O-CB 3.49Å; I445-M448 PolarHBondContact O-N 2.9Å; I445-M448 VanDerWaalsContact O-N 3.12Å; S446-M448 VanDerWaalsContact C-N 3.33Å; S446-M448 PolarHBondContact O-N 2.92Å; M448-N450 VanDerWaalsContact C-N 3.32Å; M448-N450 PolarHBondContact O-N 2.94Å; M448-A451 PolarHBondContact O-N 3.25Å; M448-A451 VanDerWaalsContact O-N 3.14Å; M448-V452 WeakPolarHBondContact O-CG2 3.02Å; M448-V452 PolarHBondContact O-N 3.36Å; M448-V452 VanDerWaalsContact O-N 3.09Å
449	A	59.1	Low	58	Low	17 Å²	17	82.7 Å²	82.7	14%	0.14	52%	0.516	C	S	.	.	H	α-helix	trans	-58.9	-44.6	177.6	0	0	0	0	0	111.6	I445 S446 A451 V452 S453	I445-A449 PolarHBondContact O-N 3.39Å; S446-A449 PolarHBondContact O-N 3.2Å; A449-A451 VanDerWaalsContact C-N 3.32Å; A449-A451 PolarHBondContact O-N 3.29Å; A449-V452 PolarHBondContact O-N 3.18Å; A449-S453 PolarHBondContact O-N 2.75Å; A449-S453 PolarHBondContact O-OG 3.01Å
450	N	51.2	Low	56.7	Low	107 Å²	107	82.5 Å²	82.5	57%	0.572	51%	0.505	S	S	*	.	H	α-helix	trans	-66.7	-29.3	176.5	-70.9	-26.7	0	0	0	113.7	S446 M448 S453 A454	S446-N450 PolarHBondContact O-N 3.32Å; S446-N450 VanDerWaalsContact O-N 3.12Å; S446-N450 PolarHBondContact O-ND2 2.97Å; M448-N450 VanDerWaalsContact C-N 3.32Å; M448-N450 PolarHBondContact O-N 2.94Å; N450-S453 PolarHBondContact O-OG 3.19Å; N450-A454 WeakPolarHBondContact O-CB 3.38Å; N450-A454 PolarHBondContact O-N 3.2Å
451	A	37.9	Very low	55.2	Low	56 Å²	56	83.4 Å²	83.4	46%	0.463	50%	0.502	S	S	.	.	H	α-helix	trans	-73.6	-34.4	176.2	0	0	0	0	0	112	G447 M448 A449 T455	G447-A451 PolarHBondContact O-N 2.99Å; M448-A451 PolarHBondContact O-N 3.25Å; M448-A451 VanDerWaalsContact O-N 3.14Å; A449-A451 VanDerWaalsContact C-N 3.32Å; A449-A451 PolarHBondContact O-N 3.29Å; A451-T455 PolarHBondContact O-OG1 2.89Å
452	V	41.1	Very low	53.4	Low	95 Å²	95	83.1 Å²	83.1	58%	0.576	51%	0.506	S	S	*	.	H	α-helix	trans	-73.9	-39.7	177.9	176	0	0	0	0	111.1	M448 A449 A454 T455	M448-V452 WeakPolarHBondContact O-CG2 3.02Å; M448-V452 PolarHBondContact O-N 3.36Å; M448-V452 VanDerWaalsContact O-N 3.09Å; A449-V452 PolarHBondContact O-N 3.18Å; V452-A454 VanDerWaalsContact C-N 3.27Å; V452-A454 PolarHBondContact O-N 3.19Å; V452-T455 PolarHBondContact O-N 2.85Å; V452-T455 PolarHBondContact O-OG1 3.17Å
453	S	35.6	Very low	51.8	Low	68 Å²	68	86.9 Å²	86.9	48%	0.476	53%	0.534	S	S	.	.	H	α-helix	trans	-68.1	-24.9	174.8	64.9	0	0	0	0	113.4	A449 N450	A449-S453 PolarHBondContact O-N 2.75Å; A449-S453 PolarHBondContact O-OG 3.01Å; N450-S453 PolarHBondContact O-OG 3.19Å
454	A	32.1	Very low	50.1	Low	81 Å²	81	80.6 Å²	80.6	67%	0.669	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.7	175.7	0	0	0	0	0	114.4	N450 V452	N450-A454 WeakPolarHBondContact O-CB 3.38Å; N450-A454 PolarHBondContact O-N 3.2Å; V452-A454 VanDerWaalsContact C-N 3.27Å; V452-A454 PolarHBondContact O-N 3.19Å
455	T	29.7	Very low	47.9	Very low	117 Å²	117	79.8 Å²	79.8	72%	0.718	52%	0.523	S	S	*	.			trans	-118.3	8.2	-178	38	0	0	0	0	115	A451 V452	A451-T455 PolarHBondContact O-OG1 2.89Å; V452-T455 PolarHBondContact O-N 2.85Å; V452-T455 PolarHBondContact O-OG1 3.17Å
456	C	27.5	Very low	45.9	Very low	171 Å²	171	83.1 Å²	83.1	100%	1.155	55%	0.55	S	S	*	*			trans	-110.1	0	163.1	-66	0	0	0	0	109.4

Retrieved 456 of 456 residues in 474.3 ms (Link to these results)

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