A0A3Q0KSL4_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSL4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 423 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	26.6	Very low	29.8	Very low	56 Å²	56	42.3 Å²	42.3	28%	0.276	22%	0.215	S	C	.	.				0	131.1	0	-77	178.2	-177	0	0	107.1	D228 K393 Q402 L421	M1-D228 PolarHBondContact N-O 2.73Å; M1-D228 PolarHBondContact O-N 3.15Å; M1-K393 HydrophobicContact CE-CD 3.84Å; M1-K393 HydrophobicContact CE-CG 4.19Å; M1-K393 HydrophobicContact SD-CB 4.49Å; M1-K393 HydrophobicContact SD-CD 3.83Å; M1-K393 HydrophobicContact SD-CG 4.25Å; M1-Q402 HydrophobicContact SD-CG 4.43Å; M1-Q402 PolarHBondContact SD-NE2 2.61Å; M1-L421 HydrophobicContact CE-CD1 4.18Å
2	L	24.2	Very low	29.7	Very low	35 Å²	35	55.3 Å²	55.3	18%	0.183	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	113.4	170.5	-87.6	96.4	0	0	0	109	L225 I325	L2-L225 HydrophobicContact CD2-CD2 4.49Å; L2-I325 HydrophobicContact CD1-CB 3.88Å; L2-I325 HydrophobicContact CD1-CG1 4.48Å; L2-I325 VanDerWaalsContact CD1-N 3.29Å; L2-I325 WeakPolarHBondContact CD1-O 3.35Å; L2-I325 HydrophobicContact CD2-CB 3.95Å; L2-I325 HydrophobicContact CD2-CD1 3.51Å; L2-I325 HydrophobicContact CD2-CG1 3.67Å; L2-I325 HydrophobicContact CG-CB 4.31Å; L2-I325 HydrophobicContact CG-CD1 4.5Å
3	N	25.3	Very low	29.8	Very low	33 Å²	33	58.5 Å²	58.5	18%	0.176	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	102.2	161.8	-78.4	-37.9	0	0	0	107.2	V5 D228	N3-V5 VanDerWaalsContact C-N 3.33Å; N3-V5 PolarHBondContact O-N 3.06Å; N3-V5 VanDerWaalsContact O-N 3.12Å; N3-D228 PolarHBondContact ND2-OD2 3.17Å
4	V	27.4	Very low	30.9	Very low	33 Å²	33	63.4 Å²	63.4	20%	0.2	32%	0.322	C	S	.	.			trans	-79.7	85.6	174	178.7	0	0	0	0	107.2	S6 Y241	V4-S6 PolarHBondContact O-N 3.39Å; V4-S6 VanDerWaalsContact O-N 3.13Å; V4-Y241 HydrophobicContact CG1-CE1 4.37Å
5	V	29.5	Very low	32.4	Very low	32 Å²	32	64.5 Å²	64.5	19%	0.194	33%	0.329	C	S	.	.			trans	-73.4	104.1	171.7	-177.5	0	0	0	0	106.8	N3 Y7 I226 Y241	N3-V5 VanDerWaalsContact C-N 3.33Å; N3-V5 PolarHBondContact O-N 3.06Å; N3-V5 VanDerWaalsContact O-N 3.12Å; V5-Y7 HydrophobicContact CG1-CD2 4.16Å; V5-Y7 HydrophobicContact CG1-CE2 3.85Å; V5-I226 HydrophobicContact CG2-CD1 4.22Å; V5-Y241 PolarHBondContact O-OH 3.14Å
6	S	30.9	Very low	34.4	Very low	19 Å²	19	61.1 Å²	61.1	13%	0.133	31%	0.312	C	S	.	.			trans	-129.4	109.8	-177.7	79.2	0	0	0	0	110.9	V4 Y241 D389	V4-S6 PolarHBondContact O-N 3.39Å; V4-S6 VanDerWaalsContact O-N 3.13Å; S6-Y241 VanDerWaalsContact CA-OH 3.27Å; S6-Y241 WeakPolarHBondContact CA-OH 3.1Å; S6-Y241 WeakPolarHBondContact CB-OH 3.44Å; S6-D389 PolarHBondContact N-OD2 2.96Å
7	Y	36.7	Very low	36.6	Very low	16 Å²	16	57.8 Å²	57.8	6%	0.063	30%	0.295	C	S	.	.			trans	-83.8	145.3	175.8	-82.3	-109.7	0	0	0	110.8	V5 T19 D61 K172	V5-Y7 HydrophobicContact CG1-CD2 4.16Å; V5-Y7 HydrophobicContact CG1-CE2 3.85Å; Y7-T19 WeakPolarHBondContact CE1-OG1 3.34Å; Y7-T19 VanDerWaalsContact CZ-OG1 3.32Å; Y7-T19 PolarHBondContact OH-OG1 2.92Å; Y7-D61 WeakPolarHBondContact CE1-OD1 3.23Å; Y7-D61 VanDerWaalsContact CZ-OD1 3.26Å; Y7-D61 PolarHBondContact OH-OD1 2.92Å; Y7-K172 VanDerWaalsContact CB-CE 3.48Å; Y7-K172 HydrophobicContact CD2-CD 4.38Å; Y7-K172 HydrophobicContact CG-CD 4.45Å
8	L	32.2	Very low	38.5	Very low	23 Å²	23	55.6 Å²	55.6	12%	0.12	29%	0.285	C	S	.	.			trans	-109.9	117.9	178.9	-97.8	133	0	0	0	111.7	R247 Q386 Y387	L8-R247 VanDerWaalsContact CG-NH2 3.32Å; L8-Q386 WeakPolarHBondContact CD1-O 3.4Å; L8-Q386 WeakPolarHBondContact CD2-O 3.37Å; L8-Y387 HydrophobicContact CD1-CD2 3.27Å; L8-Y387 HydrophobicContact CD1-CE2 4.13Å; L8-Y387 HydrophobicContact CD1-CG 3.84Å
9	P	33.7	Very low	40.5	Very low	28 Å²	28	52.7 Å²	52.7	18%	0.182	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-88.5	119.3	153.1	-2.5	21.3	0	0	0	109.2
10	Q	32.9	Very low	42.3	Very low	38 Å²	38	50.2 Å²	50.2	18%	0.178	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-83.8	119.9	171.4	-81.6	-179.2	-13.8	0	0	110.6	D14 I16	Q10-D14 PolarHBondContact OE1-O 2.96Å; Q10-I16 VanDerWaalsContact CD-O 3.31Å; Q10-I16 PolarHBondContact OE1-O 2.94Å; Q10-I16 VanDerWaalsContact OE1-O 3.05Å
11	K	28.1	Very low	43.8	Very low	152 Å²	152	48.4 Å²	48.4	66%	0.661	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-96.6	136.5	144.7	-83.9	175.7	179.5	167.5	0	106.3	E189	K11-E189 IonicContact NZ-OE1 3Å; K11-E189 PolarHBondContact NZ-OE1 3.06Å
12	Y	29.5	Very low	45.7	Very low	198 Å²	198	49.4 Å²	49.4	78%	0.776	25%	0.254	S	S	*	.	S	Bend	trans	107.1	96.2	173.7	-60.3	-74.2	0	0	0	117.5
13	S	30.9	Very low	47.8	Very low	98 Å²	98	54.9 Å²	54.9	69%	0.685	28%	0.279	S	S	*	.	S	Bend	trans	50	107.9	155.8	59.7	0	0	0	0	117
14	D	44.6	Very low	50	Low	126 Å²	126	56 Å²	56	67%	0.674	28%	0.284	S	S	*	.	S	Bend	trans	77.8	78.9	-166.4	-56.3	-21.4	0	0	0	111.6	Q10 I16	Q10-D14 PolarHBondContact OE1-O 2.96Å; D14-I16 VanDerWaalsContact C-N 3.31Å; D14-I16 PolarHBondContact O-N 2.79Å
15	N	53.4	Low	52.2	Low	81 Å²	81	55.6 Å²	55.6	43%	0.433	28%	0.281	S	S	.	.			trans	-61.4	92.6	176.6	-68.8	0	0	0	0	109.5	V29	N15-V29 VanDerWaalsContact O-O 3.07Å
16	I	64.3	Low	54.3	Low	10 Å²	10	54.5 Å²	54.5	5%	0.051	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	100	169	-57.3	-177.6	0	0	0	106.9	Q10 D14 V18 E28 V29 R30 S411	Q10-I16 VanDerWaalsContact CD-O 3.31Å; Q10-I16 PolarHBondContact OE1-O 2.94Å; Q10-I16 VanDerWaalsContact OE1-O 3.05Å; D14-I16 VanDerWaalsContact C-N 3.31Å; D14-I16 PolarHBondContact O-N 2.79Å; I16-V18 HydrophobicContact CG2-CG2 3.73Å; I16-E28 HydrophobicContact CG2-CG 3.53Å; I16-E28 WeakPolarHBondContact CG2-OE1 3.4Å; I16-V29 VanDerWaalsContact CA-O 3.26Å; I16-V29 WeakPolarHBondContact CA-O 3.2Å; I16-R30 HydrophobicContact CG1-CG 4.3Å; I16-S411 WeakPolarHBondContact CD1-OG 3.26Å
17	L	72.6	Confident	56.5	Low	5 Å²	5	54.3 Å²	54.3	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.6	171.9	-56.9	173.9	0	0	0	108.3	E28 V29 L57 V58 I60	L17-E28 CarbonylContact O-C 3.52Å; L17-E28 VanDerWaalsContact O-CA 3.28Å; L17-E28 WeakPolarHBondContact O-CA 3.12Å; L17-V29 HydrophobicContact CB-CB 4.2Å; L17-V29 PolarHBondContact N-O 3.48Å; L17-V29 PolarHBondContact O-N 3.17Å; L17-L57 HydrophobicContact CD1-CB 3.65Å; L17-L57 HydrophobicContact CD1-CD1 4.44Å; L17-V58 WeakPolarHBondContact CD2-O 3.29Å; L17-I60 HydrophobicContact CB-CD1 3.76Å; L17-I60 HydrophobicContact CB-CG1 3.87Å; L17-I60 HydrophobicContact CB-CG2 4.2Å; L17-I60 HydrophobicContact CD1-CG2 4.01Å; L17-I60 WeakPolarHBondContact O-CD1 3.49Å
18	V	70.3	Confident	58.4	Low	18 Å²	18	54.5 Å²	54.5	11%	0.109	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.7	-175.4	-167.5	0	0	0	0	111.3	I16 I26 Y27 E28 Y387	I16-V18 HydrophobicContact CG2-CG2 3.73Å; V18-I26 HydrophobicContact CG1-CG2 3.4Å; V18-Y27 VanDerWaalsContact CA-O 3.31Å; V18-Y27 WeakPolarHBondContact CA-O 3.44Å; V18-E28 HydrophobicContact CG2-CG 4.27Å; V18-Y387 HydrophobicContact CB-CE1 4.05Å; V18-Y387 HydrophobicContact CG1-CD1 4.29Å; V18-Y387 HydrophobicContact CG1-CE1 3.5Å
19	T	76.6	Confident	60.5	Low	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	166.5	170.3	174.1	0	0	0	0	109.3	Y7 I26 Y27 I60 Y62 L69	Y7-T19 WeakPolarHBondContact CE1-OG1 3.34Å; Y7-T19 VanDerWaalsContact CZ-OG1 3.32Å; Y7-T19 PolarHBondContact OH-OG1 2.92Å; T19-I26 WeakPolarHBondContact O-CA 3.46Å; T19-Y27 HydrophobicContact CG2-CD2 4.11Å; T19-Y27 HydrophobicContact CG2-CG 4.38Å; T19-Y27 PolarHBondContact N-O 2.97Å; T19-Y27 PolarHBondContact O-N 3.13Å; T19-I60 HydrophobicContact CG2-CB 4.39Å; T19-I60 HydrophobicContact CG2-CD1 3.63Å; T19-I60 HydrophobicContact CG2-CG1 3.68Å; T19-Y62 VanDerWaalsContact OG1-CB 3.31Å; T19-Y62 WeakPolarHBondContact OG1-CB 3.38Å; T19-Y62 PolarHBondContact OG1-N 2.96Å; T19-L69 HydrophobicContact CG2-CD1 3.24Å
20	H	75.9	Confident	62.2	Low	3 Å²	3	56.7 Å²	56.7	1%	0.014	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	155.5	-179.7	56.8	98.1	0	0	0	111.4	N22 M25 I26 D389 L391	H20-N22 PolarHBondContact CE1-OD1 2.7Å; H20-N22 PolarHBondContact ND1-N 3.49Å; H20-N22 PolarHBondContact ND1-OD1 2.86Å; H20-N22 PolarHBondContact O-N 3.47Å; H20-M25 VanDerWaalsContact CA-O 3.25Å; H20-M25 WeakPolarHBondContact CA-O 3.47Å; H20-M25 WeakPolarHBondContact CB-O 3.16Å; H20-I26 HydrophobicContact CB-CG1 4.26Å; H20-D389 IonicContact NE2-OD2 3.33Å; H20-D389 PolarHBondContact NE2-OD2 3.39Å; H20-L391 HydrophobicContact CB-CD2 4.45Å
21	N	74.5	Confident	63.9	Low	13 Å²	13	57.2 Å²	57.2	7%	0.07	29%	0.29	C	S	.	.			trans	-85.3	11.9	178.9	73.1	-9.7	0	0	0	114.1	H23 D24 M25 Y27 Y62	N21-H23 PolarHBondContact O-CD2 3.43Å; N21-H23 PolarHBondContact O-N 3.46Å; N21-H23 PolarHBondContact OD1-N 2.97Å; N21-D24 PolarHBondContact ND2-OD1 2.93Å; N21-D24 PolarHBondContact OD1-N 2.75Å; N21-M25 HydrophobicContact CB-CB 4.48Å; N21-M25 PolarHBondContact N-O 3.46Å; N21-M25 WeakPolarHBondContact ND2-CB 3.48Å; N21-M25 PolarHBondContact OD1-N 3.03Å; N21-M25 PolarHBondContact OD1-O 3.37Å; N21-Y27 HydrophobicContact CB-CE2 4.26Å; N21-Y62 HydrophobicContact CB-CD1 3.95Å; N21-Y62 HydrophobicContact CB-CE1 3.45Å; N21-Y62 VanDerWaalsContact CB-CE1 3.45Å; N21-Y62 HydrophobicContact CB-CE2 4.3Å
22	N	65.6	Low	65.9	Low	76 Å²	76	55.9 Å²	55.9	41%	0.406	29%	0.285	S	S	.	.	S	Bend	trans	59.6	3.2	-172.5	-65.2	-25.7	0	0	0	116.4	H20	H20-N22 PolarHBondContact CE1-OD1 2.7Å; H20-N22 PolarHBondContact ND1-N 3.49Å; H20-N22 PolarHBondContact ND1-OD1 2.86Å; H20-N22 PolarHBondContact O-N 3.47Å
23	H	69.4	Low	67.8	Low	151 Å²	151	49.9 Å²	49.9	70%	0.699	26%	0.264	S	S	*	.	S	Bend	trans	-113.4	-70	-178.5	-67	-65.4	0	0	0	111	N21	N21-H23 PolarHBondContact O-CD2 3.43Å; N21-H23 PolarHBondContact O-N 3.46Å; N21-H23 PolarHBondContact OD1-N 2.97Å
24	D	71.2	Confident	69.9	Low	55 Å²	55	45.4 Å²	45.4	29%	0.294	23%	0.232	S	C	.	.	S	Bend	trans	-155.6	-4.8	-162.2	62.9	-19.4	0	0	0	113.5	N21 H38 L39 P40	N21-D24 PolarHBondContact ND2-OD1 2.93Å; N21-D24 PolarHBondContact OD1-N 2.75Å; D24-H38 CarbonylContact O-C 3.6Å; D24-H38 WeakPolarHBondContact O-CA 3.27Å; D24-H38 IonicContact OD2-CD2 3.45Å; D24-H38 IonicContact OD2-NE2 2.62Å; D24-L39 WeakPolarHBondContact O-CB 3.49Å; D24-L39 PolarHBondContact O-N 3.35Å; D24-P40 HydrophobicContact CB-CG 4.17Å
25	M	73.2	Confident	71.4	Confident	25 Å²	25	41.4 Å²	41.4	12%	0.123	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131	-179.2	-59.8	-59.4	-58.5	0	0	111.6	H20 N21 Y27 L37 H38	H20-M25 VanDerWaalsContact CA-O 3.25Å; H20-M25 WeakPolarHBondContact CA-O 3.47Å; H20-M25 WeakPolarHBondContact CB-O 3.16Å; N21-M25 HydrophobicContact CB-CB 4.48Å; N21-M25 PolarHBondContact N-O 3.46Å; N21-M25 WeakPolarHBondContact ND2-CB 3.48Å; N21-M25 PolarHBondContact OD1-N 3.03Å; N21-M25 PolarHBondContact OD1-O 3.37Å; M25-Y27 HydrophobicContact CB-CE2 4.42Å; M25-L37 WeakPolarHBondContact CA-O 3.23Å; M25-H38 HydrophobicContact CE-CB 4.09Å; M25-H38 VanDerWaalsContact SD-CA 3.52Å; M25-H38 HydrophobicContact SD-CB 3.55Å; M25-H38 VanDerWaalsContact SD-CB 3.55Å; M25-H38 VanDerWaalsContact SD-CD2 3.55Å
26	I	73	Confident	72.6	Confident	9 Å²	9	38.4 Å²	38.4	5%	0.046	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.9	163	-64.7	-179.4	0	0	0	108.2	V18 T19 H20 S36 L37 L39 L391 F405	V18-I26 HydrophobicContact CG1-CG2 3.4Å; T19-I26 WeakPolarHBondContact O-CA 3.46Å; H20-I26 HydrophobicContact CB-CG1 4.26Å; I26-S36 CarbonylContact O-C 3.59Å; I26-S36 WeakPolarHBondContact O-CA 3.38Å; I26-L37 HydrophobicContact CB-CB 4.3Å; I26-L37 PolarHBondContact N-O 3.31Å; I26-L37 PolarHBondContact O-N 3.36Å; I26-L39 HydrophobicContact CD1-CD1 4.27Å; I26-L39 HydrophobicContact CD1-CD2 3.72Å; I26-L39 HydrophobicContact CD1-CG 4.2Å; I26-L39 HydrophobicContact CG1-CD1 3.87Å; I26-L39 HydrophobicContact CG1-CD2 4.19Å; I26-L39 HydrophobicContact CG1-CG 4.1Å; I26-L391 HydrophobicContact CD1-CD1 4.4Å; I26-F405 HydrophobicContact CD1-CE1 4.47Å; I26-F405 HydrophobicContact CD1-CZ 4.47Å
27	Y	78	Confident	73	Confident	16 Å²	16	38.8 Å²	38.8	6%	0.063	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	126	169.9	-58.3	-72.4	0	0	0	108.6	V18 T19 N21 M25 H35 Y62 L69 M82	V18-Y27 VanDerWaalsContact CA-O 3.31Å; V18-Y27 WeakPolarHBondContact CA-O 3.44Å; T19-Y27 HydrophobicContact CG2-CD2 4.11Å; T19-Y27 HydrophobicContact CG2-CG 4.38Å; T19-Y27 PolarHBondContact N-O 2.97Å; T19-Y27 PolarHBondContact O-N 3.13Å; N21-Y27 HydrophobicContact CB-CE2 4.26Å; M25-Y27 HydrophobicContact CB-CE2 4.42Å; Y27-H35 CarbonylContact C-O 3.54Å; Y27-H35 WeakPolarHBondContact CA-O 2.92Å; Y27-Y62 HydrophobicContact CD2-CD2 4.16Å; Y27-Y62 AromaticContact CE2-CD2 3.55Å; Y27-Y62 HydrophobicContact CE2-CD2 3.55Å; Y27-Y62 AromaticContact CE2-CE2 3.76Å; Y27-Y62 HydrophobicContact CE2-CE2 3.76Å; Y27-Y62 HydrophobicContact CE2-CG 4.22Å; Y27-L69 HydrophobicContact CD2-CD1 4.26Å; Y27-L69 HydrophobicContact CG-CD1 4.24Å; Y27-M82 HydrophobicContact CD1-CE 3.82Å; Y27-M82 HydrophobicContact CE1-CE 3.48Å; Y27-M82 VanDerWaalsContact CE1-CE 3.48Å; Y27-M82 HydrophobicContact CE1-CG 4.04Å; Y27-M82 HydrophobicContact CE1-SD 4.44Å
28	E	77.2	Confident	73	Confident	19 Å²	19	41.4 Å²	41.4	9%	0.089	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	120.5	-174.6	-178.1	-177.3	-163.8	0	0	109.1	I16 L17 V18 R30 H35	I16-E28 HydrophobicContact CG2-CG 3.53Å; I16-E28 WeakPolarHBondContact CG2-OE1 3.4Å; L17-E28 CarbonylContact O-C 3.52Å; L17-E28 VanDerWaalsContact O-CA 3.28Å; L17-E28 WeakPolarHBondContact O-CA 3.12Å; V18-E28 HydrophobicContact CG2-CG 4.27Å; E28-R30 VanDerWaalsContact CD-NH2 3.28Å; E28-R30 HydrophobicContact CG-CG 4.03Å; E28-R30 IonicContact OE1-CZ 2.88Å; E28-R30 IonicContact OE1-NE 3.78Å; E28-R30 PolarHBondContact OE1-NE 2.88Å; E28-R30 IonicContact OE1-NH2 3.14Å; E28-R30 PolarHBondContact OE1-NH2 2.63Å; E28-R30 IonicContact OE2-CZ 2.75Å; E28-R30 IonicContact OE2-NE 3.75Å; E28-R30 PolarHBondContact OE2-NE 3.06Å; E28-R30 IonicContact OE2-NH2 3.37Å; E28-R30 PolarHBondContact OE2-NH2 3.03Å; E28-H35 HydrophobicContact CB-CB 4.42Å; E28-H35 PolarHBondContact N-O 2.85Å; E28-H35 WeakPolarHBondContact O-CB 3.32Å; E28-H35 PolarHBondContact O-N 3.29Å
29	V	75.1	Confident	72.7	Confident	2 Å²	2	41 Å²	41	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.1	170.9	177.7	0	0	0	0	108.6	N15 I16 L17 G31 Q33 L34 I53 L57 I60	N15-V29 VanDerWaalsContact O-O 3.07Å; I16-V29 VanDerWaalsContact CA-O 3.26Å; I16-V29 WeakPolarHBondContact CA-O 3.2Å; L17-V29 HydrophobicContact CB-CB 4.2Å; L17-V29 PolarHBondContact N-O 3.48Å; L17-V29 PolarHBondContact O-N 3.17Å; V29-G31 WeakPolarHBondContact CG1-O 3.19Å; V29-Q33 CarbonylContact C-O 3.56Å; V29-Q33 VanDerWaalsContact CA-O 3.29Å; V29-Q33 WeakPolarHBondContact CA-O 2.95Å; V29-L34 HydrophobicContact CG2-CD1 3.7Å; V29-I53 HydrophobicContact CG1-CD1 4.01Å; V29-I53 HydrophobicContact CG2-CD1 4.48Å; V29-L57 HydrophobicContact CG1-CD1 4.09Å; V29-L57 HydrophobicContact CG2-CD1 4.17Å; V29-I60 HydrophobicContact CG2-CD1 4.03Å; V29-I60 HydrophobicContact CG2-CG2 4.06Å
30	R	70.6	Confident	72.2	Confident	96 Å²	96	45.6 Å²	45.6	36%	0.362	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	107.9	170.6	-63.5	-171.9	177.7	174.2	2.6	109.4	I16 E28 F32 Q33 S411	I16-R30 HydrophobicContact CG1-CG 4.3Å; E28-R30 VanDerWaalsContact CD-NH2 3.28Å; E28-R30 HydrophobicContact CG-CG 4.03Å; E28-R30 IonicContact OE1-CZ 2.88Å; E28-R30 IonicContact OE1-NE 3.78Å; E28-R30 PolarHBondContact OE1-NE 2.88Å; E28-R30 IonicContact OE1-NH2 3.14Å; E28-R30 PolarHBondContact OE1-NH2 2.63Å; E28-R30 IonicContact OE2-CZ 2.75Å; E28-R30 IonicContact OE2-NE 3.75Å; E28-R30 PolarHBondContact OE2-NE 3.06Å; E28-R30 IonicContact OE2-NH2 3.37Å; E28-R30 PolarHBondContact OE2-NH2 3.03Å; R30-F32 PolarHBondContact O-N 2.91Å; R30-F32 VanDerWaalsContact O-N 3.13Å; R30-Q33 PolarHBondContact N-O 2.76Å; R30-Q33 PolarHBondContact O-N 2.69Å; R30-S411 PolarHBondContact NH2-O 2.65Å
31	G	68.8	Low	71.8	Confident	49 Å²	49	47.7 Å²	47.7	51%	0.505	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	-112.2	-173.5	0	0	0	0	0	111	V29	V29-G31 WeakPolarHBondContact CG1-O 3.19Å
32	F	68.4	Low	71.4	Confident	123 Å²	123	50.9 Å²	50.9	54%	0.539	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	28.1	178.6	-55.8	-67.4	0	0	0	112.6	R30 I53	R30-F32 PolarHBondContact O-N 2.91Å; R30-F32 VanDerWaalsContact O-N 3.13Å; F32-I53 HydrophobicContact CD1-CB 4.43Å; F32-I53 WeakPolarHBondContact CD1-O 3.07Å
33	Q	70.5	Confident	71.2	Confident	73 Å²	73	53.7 Å²	53.7	34%	0.341	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.7	-179.5	-65.2	-175.1	10.4	0	0	111	V29 R30 K50	V29-Q33 CarbonylContact C-O 3.56Å; V29-Q33 VanDerWaalsContact CA-O 3.29Å; V29-Q33 WeakPolarHBondContact CA-O 2.95Å; R30-Q33 PolarHBondContact N-O 2.76Å; R30-Q33 PolarHBondContact O-N 2.69Å; Q33-K50 HydrophobicContact CG-CG 4.32Å
34	L	75.8	Confident	70.9	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.6	172.2	179.7	68.5	0	0	0	109.8	V29 K49 V51 L69 M82	V29-L34 HydrophobicContact CG2-CD1 3.7Å; L34-K49 PolarHBondContact O-N 3.22Å; L34-V51 HydrophobicContact CB-CB 4.5Å; L34-V51 HydrophobicContact CB-CG2 4.25Å; L34-V51 HydrophobicContact CD2-CG2 4.23Å; L34-L69 HydrophobicContact CD1-CD2 3.62Å; L34-L69 HydrophobicContact CD2-CD2 3.48Å; L34-L69 VanDerWaalsContact CD2-CD2 3.48Å; L34-L69 HydrophobicContact CG-CD2 4.21Å; L34-M82 HydrophobicContact CD2-CE 3.75Å; L34-M82 HydrophobicContact CD2-SD 4.07Å
35	H	75.8	Confident	70.3	Confident	42 Å²	42	51.4 Å²	51.4	19%	0.194	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.9	174	-61.4	-83.9	0	0	0	109.2	Y27 E28	Y27-H35 CarbonylContact C-O 3.54Å; Y27-H35 WeakPolarHBondContact CA-O 2.92Å; E28-H35 HydrophobicContact CB-CB 4.42Å; E28-H35 PolarHBondContact N-O 2.85Å; E28-H35 WeakPolarHBondContact O-CB 3.32Å; E28-H35 PolarHBondContact O-N 3.29Å
36	S	77.7	Confident	69.1	Low	19 Å²	19	57.1 Å²	57.1	13%	0.133	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.2	170.3	64.4	0	0	0	0	108.5	I26 N45	I26-S36 CarbonylContact O-C 3.59Å; I26-S36 WeakPolarHBondContact O-CA 3.38Å; S36-N45 PolarHBondContact O-N 3.02Å; S36-N45 WeakPolarHBondContact OG-CB 3.46Å
37	L	73	Confident	68	Low	18 Å²	18	64 Å²	64	9%	0.094	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.7	177.9	177.5	69.3	0	0	0	108.7	M25 I26 T44 V413	M25-L37 WeakPolarHBondContact CA-O 3.23Å; I26-L37 HydrophobicContact CB-CB 4.3Å; I26-L37 PolarHBondContact N-O 3.31Å; I26-L37 PolarHBondContact O-N 3.36Å; L37-T44 HydrophobicContact CD1-CG2 3.93Å; L37-V413 HydrophobicContact CD2-CG2 4.2Å
38	H	72	Confident	66.7	Low	60 Å²	60	64.9 Å²	64.9	28%	0.278	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	114.3	171.3	179.2	-104	0	0	0	108.8	D24 M25 S41 M42 Q43	D24-H38 CarbonylContact O-C 3.6Å; D24-H38 WeakPolarHBondContact O-CA 3.27Å; D24-H38 IonicContact OD2-CD2 3.45Å; D24-H38 IonicContact OD2-NE2 2.62Å; M25-H38 HydrophobicContact CE-CB 4.09Å; M25-H38 VanDerWaalsContact SD-CA 3.52Å; M25-H38 HydrophobicContact SD-CB 3.55Å; M25-H38 VanDerWaalsContact SD-CB 3.55Å; M25-H38 VanDerWaalsContact SD-CD2 3.55Å; H38-S41 PolarHBondContact ND1-N 2.9Å; H38-S41 PolarHBondContact ND1-OG 3.14Å; H38-S41 PolarHBondContact O-N 2.62Å; H38-S41 PolarHBondContact O-OG 3.48Å; H38-M42 WeakPolarHBondContact O-CA 2.95Å; H38-M42 PolarHBondContact O-N 2.84Å; H38-Q43 PolarHBondContact N-O 2.89Å; H38-Q43 VanDerWaalsContact N-O 3.15Å; H38-Q43 PolarHBondContact O-N 2.99Å
39	L	64.3	Low	65.6	Low	8 Å²	8	65.6 Å²	65.6	4%	0.042	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-50	-171.5	-76.4	150.2	0	0	0	113	D24 I26 S41 M42 L391 L403	D24-L39 WeakPolarHBondContact O-CB 3.49Å; D24-L39 PolarHBondContact O-N 3.35Å; I26-L39 HydrophobicContact CD1-CD1 4.27Å; I26-L39 HydrophobicContact CD1-CD2 3.72Å; I26-L39 HydrophobicContact CD1-CG 4.2Å; I26-L39 HydrophobicContact CG1-CD1 3.87Å; I26-L39 HydrophobicContact CG1-CD2 4.19Å; I26-L39 HydrophobicContact CG1-CG 4.1Å; L39-S41 PolarHBondContact O-N 2.99Å; L39-S41 VanDerWaalsContact O-N 3.14Å; L39-M42 HydrophobicContact CD2-CE 4.06Å; L39-M42 WeakPolarHBondContact O-CE 3.18Å; L39-M42 WeakPolarHBondContact O-CG 3.42Å; L39-M42 PolarHBondContact O-N 2.96Å; L39-L391 HydrophobicContact CD1-CD1 3.28Å; L39-L391 HydrophobicContact CD1-CD2 3.93Å; L39-L391 HydrophobicContact CD1-CG 4.22Å; L39-L391 HydrophobicContact CD2-CD1 3.8Å; L39-L391 HydrophobicContact CG-CD1 4.14Å; L39-L403 HydrophobicContact CD2-CD2 4.35Å
40	P	66.8	Low	64.6	Low	98 Å²	98	72 Å²	72	64%	0.636	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.1	-178.8	-24.6	31.8	0	0	0	113.8	D24	D24-P40 HydrophobicContact CB-CG 4.17Å
41	S	67.1	Low	63.9	Low	47 Å²	47	67.6 Å²	67.6	33%	0.329	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-12.9	178.8	62.6	0	0	0	0	113.5	H38 L39 Q43	H38-S41 PolarHBondContact ND1-N 2.9Å; H38-S41 PolarHBondContact ND1-OG 3.14Å; H38-S41 PolarHBondContact O-N 2.62Å; H38-S41 PolarHBondContact O-OG 3.48Å; L39-S41 PolarHBondContact O-N 2.99Å; L39-S41 VanDerWaalsContact O-N 3.14Å; S41-Q43 WeakPolarHBondContact O-CG 3.35Å; S41-Q43 PolarHBondContact O-N 2.49Å; S41-Q43 WeakPolarHBondContact OG-CB 3.23Å; S41-Q43 PolarHBondContact OG-N 3.24Å
42	M	65.5	Low	63.1	Low	80 Å²	80	69.1 Å²	69.1	39%	0.394	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	23.5	-165.2	-65.8	-66.6	168.1	0	0	113	H38 L39	H38-M42 WeakPolarHBondContact O-CA 2.95Å; H38-M42 PolarHBondContact O-N 2.84Å; L39-M42 HydrophobicContact CD2-CE 4.06Å; L39-M42 WeakPolarHBondContact O-CE 3.18Å; L39-M42 WeakPolarHBondContact O-CG 3.42Å; L39-M42 PolarHBondContact O-N 2.96Å
43	Q	62.6	Low	62.7	Low	135 Å²	135	63.5 Å²	63.5	63%	0.631	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.8	177.9	-70.2	176.7	-1.4	0	0	107.5	H38 S41 N45	H38-Q43 PolarHBondContact N-O 2.89Å; H38-Q43 VanDerWaalsContact N-O 3.15Å; H38-Q43 PolarHBondContact O-N 2.99Å; S41-Q43 WeakPolarHBondContact O-CG 3.35Å; S41-Q43 PolarHBondContact O-N 2.49Å; S41-Q43 WeakPolarHBondContact OG-CB 3.23Å; S41-Q43 PolarHBondContact OG-N 3.24Å; Q43-N45 PolarHBondContact O-N 3.09Å
44	T	62.1	Low	62.1	Low	76 Å²	76	68.7 Å²	68.7	47%	0.466	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	126.2	159.3	52.8	0	0	0	0	106.4	L37 N46	L37-T44 HydrophobicContact CD1-CG2 3.93Å; T44-N46 PolarHBondContact O-N 3.09Å
45	N	59.8	Low	61.6	Low	82 Å²	82	70.2 Å²	70.2	44%	0.439	37%	0.368	S	S	.	.			trans	-65.7	108.9	174.1	-150.3	-14.3	0	0	0	105.8	S36 Q43 H47 S48	S36-N45 PolarHBondContact O-N 3.02Å; S36-N45 WeakPolarHBondContact OG-CB 3.46Å; Q43-N45 PolarHBondContact O-N 3.09Å; N45-H47 CarbonylContact O-C 3.55Å; N45-H47 PolarHBondContact O-N 2.77Å; N45-S48 PolarHBondContact O-N 2.79Å
46	N	47.2	Very low	61.7	Low	145 Å²	145	73.1 Å²	73.1	78%	0.775	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-8.9	-177.1	-80.2	-30.9	0	0	0	112.7	T44 S48	T44-N46 PolarHBondContact O-N 3.09Å; N46-S48 PolarHBondContact O-N 2.8Å
47	H	48.9	Very low	62	Low	152 Å²	152	73 Å²	73	70%	0.704	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	28.2	165.5	-64.3	-60.8	0	0	0	113.6	N45 K49	N45-H47 CarbonylContact O-C 3.55Å; N45-H47 PolarHBondContact O-N 2.77Å; H47-K49 PolarHBondContact O-N 2.85Å
48	S	51.6	Low	62.6	Low	35 Å²	35	74.3 Å²	74.3	25%	0.245	39%	0.392	C	S	.	.			trans	-35.6	108.8	175.2	59.2	0	0	0	0	108.3	N45 N46 K50	N45-S48 PolarHBondContact O-N 2.79Å; N46-S48 PolarHBondContact O-N 2.8Å; S48-K50 PolarHBondContact O-N 3.05Å
49	K	54	Low	63.5	Low	34 Å²	34	71.6 Å²	71.6	15%	0.148	38%	0.379	C	S	.	.			trans	-63.2	98.8	177.2	-90.7	178.6	170.3	171	0	104.1	L34 H47 V51 D81 M82 D84	L34-K49 PolarHBondContact O-N 3.22Å; H47-K49 PolarHBondContact O-N 2.85Å; K49-V51 HydrophobicContact CB-CG2 4Å; K49-V51 PolarHBondContact O-N 3.25Å; K49-D81 PolarHBondContact NZ-O 2.83Å; K49-M82 HydrophobicContact CD-CE 4.1Å; K49-M82 PolarHBondContact NZ-O 3.25Å; K49-M82 VanDerWaalsContact NZ-O 3.17Å; K49-D84 WeakPolarHBondContact CE-O 3.36Å; K49-D84 PolarHBondContact NZ-O 3.18Å
50	K	53.1	Low	64.7	Low	137 Å²	137	71.2 Å²	71.2	60%	0.596	38%	0.377	S	S	*	.			trans	-69.1	78.8	165.3	-74	-172.2	179.5	-179.2	0	105.4	Q33 S48 P52	Q33-K50 HydrophobicContact CG-CG 4.32Å; S48-K50 PolarHBondContact O-N 3.05Å; K50-P52 WeakPolarHBondContact O-CD 3.34Å
51	V	56.3	Low	65.9	Low	3 Å²	3	66.9 Å²	66.9	2%	0.018	35%	0.349	C	S	.	.			trans	-69.6	111.4	165.3	173.7	0	0	0	0	104.6	L34 K49 I53 W80	L34-V51 HydrophobicContact CB-CB 4.5Å; L34-V51 HydrophobicContact CB-CG2 4.25Å; L34-V51 HydrophobicContact CD2-CG2 4.23Å; K49-V51 HydrophobicContact CB-CG2 4Å; K49-V51 PolarHBondContact O-N 3.25Å; V51-I53 VanDerWaalsContact C-N 3.3Å; V51-I53 HydrophobicContact CB-CG1 4.17Å; V51-I53 HydrophobicContact CG1-CD1 4.42Å; V51-I53 HydrophobicContact CG1-CG1 3.58Å; V51-I53 PolarHBondContact O-N 3.23Å; V51-W80 HydrophobicContact CB-CH2 4.08Å; V51-W80 HydrophobicContact CB-CZ2 4.28Å; V51-W80 HydrophobicContact CB-CZ3 4.2Å; V51-W80 HydrophobicContact CG1-CD2 4.11Å; V51-W80 HydrophobicContact CG1-CE3 4.17Å; V51-W80 HydrophobicContact CG1-CH2 3.17Å; V51-W80 HydrophobicContact CG1-CZ2 3.04Å; V51-W80 HydrophobicContact CG1-CZ3 3.72Å; V51-W80 HydrophobicContact CG2-CD2 4.1Å; V51-W80 HydrophobicContact CG2-CE3 3.67Å; V51-W80 HydrophobicContact CG2-CH2 3.99Å; V51-W80 HydrophobicContact CG2-CZ2 4.36Å; V51-W80 HydrophobicContact CG2-CZ3 3.58Å
52	P	52.4	Low	67	Low	81 Å²	81	65.8 Å²	65.8	53%	0.526	34%	0.338	S	S	.	.			trans	-67.9	99.4	170.3	28.5	-29.5	0	0	0	106.7	K50 E54	K50-P52 WeakPolarHBondContact O-CD 3.34Å; P52-E54 PolarHBondContact O-N 2.97Å
53	I	59.1	Low	68.2	Low	6 Å²	6	62 Å²	62	3%	0.031	32%	0.319	C	S	.	.			trans	-88.9	99.3	173.5	-48.8	160.5	0	0	0	105.1	V29 F32 V51 T55 L57	V29-I53 HydrophobicContact CG1-CD1 4.01Å; V29-I53 HydrophobicContact CG2-CD1 4.48Å; F32-I53 HydrophobicContact CD1-CB 4.43Å; F32-I53 WeakPolarHBondContact CD1-O 3.07Å; V51-I53 VanDerWaalsContact C-N 3.3Å; V51-I53 HydrophobicContact CB-CG1 4.17Å; V51-I53 HydrophobicContact CG1-CD1 4.42Å; V51-I53 HydrophobicContact CG1-CG1 3.58Å; V51-I53 PolarHBondContact O-N 3.23Å; I53-T55 PolarHBondContact O-N 2.87Å; I53-L57 HydrophobicContact CB-CD1 4.47Å; I53-L57 HydrophobicContact CB-CG 4.47Å; I53-L57 HydrophobicContact CD1-CD1 3.29Å; I53-L57 HydrophobicContact CD1-CG 4.16Å; I53-L57 HydrophobicContact CG1-CD1 4.17Å; I53-L57 HydrophobicContact CG2-CD1 3.85Å; I53-L57 HydrophobicContact CG2-CD2 3.67Å; I53-L57 HydrophobicContact CG2-CG 3.47Å; I53-L57 VanDerWaalsContact CG2-CG 3.47Å
54	E	58	Low	69.3	Low	182 Å²	182	58.3 Å²	58.3	85%	0.85	31%	0.307	S	S	*	.			trans	-76.2	0.8	-178	-63.7	-171.1	167.5	0	0	112.7	P52	P52-E54 PolarHBondContact O-N 2.97Å
55	T	67	Low	70.3	Confident	34 Å²	34	57.2 Å²	57.2	21%	0.209	31%	0.311	C	S	.	.	S	Bend	trans	-124.4	156.6	-171.8	55.4	0	0	0	0	111.1	I53 L57 S73 D76	I53-T55 PolarHBondContact O-N 2.87Å; T55-L57 PolarHBondContact O-N 3.27Å; T55-S73 VanDerWaalsContact OG1-CB 3.27Å; T55-S73 WeakPolarHBondContact OG1-CB 3.14Å; T55-D76 PolarHBondContact OG1-OD1 3.17Å
56	N	78.1	Confident	71.6	Confident	104 Å²	104	55.6 Å²	55.6	56%	0.556	30%	0.301	S	S	*	.			trans	-74.3	100	178.2	-71.3	-32.4	0	0	0	108.4	S73 D74	N56-S73 VanDerWaalsContact O-CA 3.24Å; N56-S73 WeakPolarHBondContact O-CA 3.4Å; N56-S73 WeakPolarHBondContact O-CB 3.32Å; N56-D74 PolarHBondContact O-N 3.34Å
57	L	83.8	Confident	73.5	Confident	15 Å²	15	50.5 Å²	50.5	8%	0.079	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	138.7	172.2	-69.3	-172.9	0	0	0	111	L17 V29 I53 T55 I60 C71 C72	L17-L57 HydrophobicContact CD1-CB 3.65Å; L17-L57 HydrophobicContact CD1-CD1 4.44Å; V29-L57 HydrophobicContact CG1-CD1 4.09Å; V29-L57 HydrophobicContact CG2-CD1 4.17Å; I53-L57 HydrophobicContact CB-CD1 4.47Å; I53-L57 HydrophobicContact CB-CG 4.47Å; I53-L57 HydrophobicContact CD1-CD1 3.29Å; I53-L57 HydrophobicContact CD1-CG 4.16Å; I53-L57 HydrophobicContact CG1-CD1 4.17Å; I53-L57 HydrophobicContact CG2-CD1 3.85Å; I53-L57 HydrophobicContact CG2-CD2 3.67Å; I53-L57 HydrophobicContact CG2-CG 3.47Å; I53-L57 VanDerWaalsContact CG2-CG 3.47Å; T55-L57 PolarHBondContact O-N 3.27Å; L57-I60 HydrophobicContact CD1-CG2 4.3Å; L57-C71 HydrophobicContact CD1-CB 4.32Å; L57-C71 HydrophobicContact CD2-CB 3.97Å; L57-C72 WeakPolarHBondContact CA-O 2.86Å; L57-C72 WeakPolarHBondContact CD2-O 3.4Å
58	V	85.9	Confident	75.5	Confident	46 Å²	46	43.5 Å²	43.5	28%	0.279	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-34.2	-179.9	-146.1	0	0	0	0	110	L17 C72 S73 D74 T103	L17-V58 WeakPolarHBondContact CD2-O 3.29Å; V58-C72 PolarHBondContact N-O 3.17Å; V58-S73 VanDerWaalsContact CG2-C 3.4Å; V58-D74 HydrophobicContact CG2-CB 4.41Å; V58-D74 VanDerWaalsContact CG2-N 3.33Å; V58-T103 VanDerWaalsContact CG1-O 3.26Å; V58-T103 WeakPolarHBondContact CG1-O 3.4Å
59	D	88.9	Confident	77.3	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	160.1	-178.8	-160.4	9.7	0	0	0	112.7	C72 C105	D59-C72 PolarHBondContact N-O 3.17Å; D59-C72 PolarHBondContact O-N 3.36Å; D59-C105 PolarHBondContact OD2-N 2.89Å; D59-C105 VanDerWaalsContact OD2-O 3.08Å
60	I	90.1	Very high	79.1	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	148.2	173.3	68.4	-177.2	0	0	0	110.9	L17 T19 V29 L57 L69 L70 C71	L17-I60 HydrophobicContact CB-CD1 3.76Å; L17-I60 HydrophobicContact CB-CG1 3.87Å; L17-I60 HydrophobicContact CB-CG2 4.2Å; L17-I60 HydrophobicContact CD1-CG2 4.01Å; L17-I60 WeakPolarHBondContact O-CD1 3.49Å; T19-I60 HydrophobicContact CG2-CB 4.39Å; T19-I60 HydrophobicContact CG2-CD1 3.63Å; T19-I60 HydrophobicContact CG2-CG1 3.68Å; V29-I60 HydrophobicContact CG2-CD1 4.03Å; V29-I60 HydrophobicContact CG2-CG2 4.06Å; L57-I60 HydrophobicContact CD1-CG2 4.3Å; I60-L69 HydrophobicContact CB-CD1 4.47Å; I60-L70 CarbonylContact C-O 3.53Å; I60-L70 WeakPolarHBondContact CA-O 3.21Å; I60-L70 WeakPolarHBondContact CB-O 3.43Å; I60-C71 HydrophobicContact CG2-CB 4.46Å
61	D	91.9	Very high	80.8	Confident	8 Å²	8	33.9 Å²	33.9	4%	0.043	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	159.3	175.7	-163.1	9.5	0	0	0	111	Y7 L69 L70 S106 I107	Y7-D61 WeakPolarHBondContact CE1-OD1 3.23Å; Y7-D61 VanDerWaalsContact CZ-OD1 3.26Å; Y7-D61 PolarHBondContact OH-OD1 2.92Å; D61-L69 CarbonylContact O-C 3.57Å; D61-L70 HydrophobicContact CB-CB 4.27Å; D61-L70 HydrophobicContact CB-CD2 4.34Å; D61-L70 PolarHBondContact N-O 3.2Å; D61-L70 WeakPolarHBondContact O-CB 3.44Å; D61-L70 PolarHBondContact O-N 2.82Å; D61-S106 WeakPolarHBondContact OD2-CA 3.36Å; D61-S106 WeakPolarHBondContact OD2-CB 3.24Å; D61-S106 PolarHBondContact OD2-OG 2.86Å; D61-I107 HydrophobicContact CB-CG2 4.06Å; D61-I107 PolarHBondContact OD2-N 3.24Å
62	Y	90.1	Very high	82.3	Confident	24 Å²	24	33.7 Å²	33.7	9%	0.094	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129	-178.5	177.4	-93.3	0	0	0	111.4	T19 N21 Y27 P64 S67 S68	T19-Y62 VanDerWaalsContact OG1-CB 3.31Å; T19-Y62 WeakPolarHBondContact OG1-CB 3.38Å; T19-Y62 PolarHBondContact OG1-N 2.96Å; N21-Y62 HydrophobicContact CB-CD1 3.95Å; N21-Y62 HydrophobicContact CB-CE1 3.45Å; N21-Y62 VanDerWaalsContact CB-CE1 3.45Å; N21-Y62 HydrophobicContact CB-CE2 4.3Å; Y27-Y62 HydrophobicContact CD2-CD2 4.16Å; Y27-Y62 AromaticContact CE2-CD2 3.55Å; Y27-Y62 HydrophobicContact CE2-CD2 3.55Å; Y27-Y62 AromaticContact CE2-CE2 3.76Å; Y27-Y62 HydrophobicContact CE2-CE2 3.76Å; Y27-Y62 HydrophobicContact CE2-CG 4.22Å; Y62-P64 HydrophobicContact CE1-CB 4.15Å; Y62-P64 WeakPolarHBondContact O-CD 3.27Å; Y62-S67 WeakPolarHBondContact OH-CA 3.45Å; Y62-S68 WeakPolarHBondContact CD2-O 2.94Å
63	S	90.8	Very high	84	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.7	173.2	-176.7	0	0	0	0	110.8	G65 S67 S68 S108 A109 G111	S63-G65 VanDerWaalsContact C-N 3.34Å; S63-G65 PolarHBondContact O-N 3.46Å; S63-S67 WeakPolarHBondContact O-CA 3.39Å; S63-S67 PolarHBondContact O-N 2.72Å; S63-S68 PolarHBondContact N-O 2.88Å; S63-S68 PolarHBondContact O-N 2.84Å; S63-S108 PolarHBondContact OG-O 3.31Å; S63-A109 PolarHBondContact OG-O 3.15Å; S63-G111 WeakPolarHBondContact OG-CA 3.43Å; S63-G111 PolarHBondContact OG-N 3.37Å; S63-G111 VanDerWaalsContact OG-N 3.15Å
64	P	85.3	Confident	85.3	Confident	57 Å²	57	31.3 Å²	31.3	37%	0.37	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-35.8	175.4	25.1	-32.3	0	0	0	112.5	Y62 I66 S67 A109	Y62-P64 HydrophobicContact CE1-CB 4.15Å; Y62-P64 WeakPolarHBondContact O-CD 3.27Å; P64-I66 VanDerWaalsContact C-N 3.35Å; P64-I66 PolarHBondContact O-N 3.17Å; P64-S67 PolarHBondContact O-N 3.4Å; P64-A109 HydrophobicContact CG-CB 4.45Å
65	G	84.2	Confident	86.5	Confident	53 Å²	53	27.2 Å²	27.2	55%	0.546	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-36.5	-175.8	0	0	0	0	0	114.1	S63 A109	S63-G65 VanDerWaalsContact C-N 3.34Å; S63-G65 PolarHBondContact O-N 3.46Å; G65-A109 VanDerWaalsContact CA-O 3.3Å; G65-A109 WeakPolarHBondContact CA-O 3.3Å; G65-A109 PolarHBondContact N-O 2.85Å
66	I	87.4	Confident	87.4	Confident	48 Å²	48	26.3 Å²	26.3	25%	0.246	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	2.2	176.8	62	167.7	0	0	0	113.4	P64 S68 I79 I107	P64-I66 VanDerWaalsContact C-N 3.35Å; P64-I66 PolarHBondContact O-N 3.17Å; I66-S68 PolarHBondContact O-N 2.94Å; I66-S68 PolarHBondContact O-OG 2.74Å; I66-I79 HydrophobicContact CD1-CG2 4.48Å; I66-I107 HydrophobicContact CD1-CD1 3.87Å
67	S	87.5	Confident	88	Confident	38 Å²	38	21.4 Å²	21.4	27%	0.266	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	42.1	-178.6	-53.3	0	0	0	0	113.7	Y62 S63 P64	Y62-S67 WeakPolarHBondContact OH-CA 3.45Å; S63-S67 WeakPolarHBondContact O-CA 3.39Å; S63-S67 PolarHBondContact O-N 2.72Å; P64-S67 PolarHBondContact O-N 3.4Å
68	S	89.3	Confident	88.2	Confident	6 Å²	6	21.2 Å²	21.2	4%	0.042	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.4	-172.6	-60.4	0	0	0	0	111.4	Y62 S63 I66 W80	Y62-S68 WeakPolarHBondContact CD2-O 2.94Å; S63-S68 PolarHBondContact N-O 2.88Å; S63-S68 PolarHBondContact O-N 2.84Å; I66-S68 PolarHBondContact O-N 2.94Å; I66-S68 PolarHBondContact O-OG 2.74Å; S68-W80 CarbonylContact C-O 3.49Å; S68-W80 VanDerWaalsContact CA-O 3.3Å; S68-W80 WeakPolarHBondContact CA-O 3.42Å; S68-W80 WeakPolarHBondContact CB-O 3.3Å
69	L	89.5	Confident	88.5	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.1	178.2	-177.7	77.7	0	0	0	109.6	T19 Y27 L34 I60 D61 I79 W80 M82	T19-L69 HydrophobicContact CG2-CD1 3.24Å; Y27-L69 HydrophobicContact CD2-CD1 4.26Å; Y27-L69 HydrophobicContact CG-CD1 4.24Å; L34-L69 HydrophobicContact CD1-CD2 3.62Å; L34-L69 HydrophobicContact CD2-CD2 3.48Å; L34-L69 VanDerWaalsContact CD2-CD2 3.48Å; L34-L69 HydrophobicContact CG-CD2 4.21Å; I60-L69 HydrophobicContact CB-CD1 4.47Å; D61-L69 CarbonylContact O-C 3.57Å; L69-I79 CarbonylContact O-C 3.55Å; L69-I79 WeakPolarHBondContact O-CA 3.13Å; L69-W80 HydrophobicContact CB-CB 4.25Å; L69-W80 PolarHBondContact N-O 2.85Å; L69-W80 PolarHBondContact O-N 2.83Å; L69-M82 HydrophobicContact CB-CG 4.02Å; L69-M82 HydrophobicContact CB-SD 3.98Å; L69-M82 HydrophobicContact CD2-SD 4.38Å
70	L	91.5	Very high	88.4	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	129.4	166.1	-178.4	65.9	0	0	0	109.1	I60 D61 V77 I79 C105 I107 I114	I60-L70 CarbonylContact C-O 3.53Å; I60-L70 WeakPolarHBondContact CA-O 3.21Å; I60-L70 WeakPolarHBondContact CB-O 3.43Å; D61-L70 HydrophobicContact CB-CB 4.27Å; D61-L70 HydrophobicContact CB-CD2 4.34Å; D61-L70 PolarHBondContact N-O 3.2Å; D61-L70 WeakPolarHBondContact O-CB 3.44Å; D61-L70 PolarHBondContact O-N 2.82Å; L70-V77 HydrophobicContact CD1-CG1 3.26Å; L70-V77 HydrophobicContact CG-CG1 4.37Å; L70-I79 HydrophobicContact CD1-CG1 4.28Å; L70-C105 HydrophobicContact CD2-CB 3.81Å; L70-C105 VanDerWaalsContact CD2-SG 3.52Å; L70-I107 HydrophobicContact CB-CB 4.21Å; L70-I107 HydrophobicContact CB-CG2 4.14Å; L70-I107 HydrophobicContact CD2-CB 3.97Å; L70-I114 HydrophobicContact CD1-CD1 3.57Å; L70-I114 HydrophobicContact CD1-CG1 3.95Å; L70-I114 HydrophobicContact CD1-CG2 4.07Å; L70-I114 HydrophobicContact CD2-CG1 4.27Å; L70-I114 HydrophobicContact CD2-CG2 3.81Å
71	C	89	Confident	88.1	Confident	3 Å²	3	20.5 Å²	20.5	2%	0.02	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.6	169.5	-62.2	0	0	0	0	108.7	L57 I60 Q78 W80	L57-C71 HydrophobicContact CD1-CB 4.32Å; L57-C71 HydrophobicContact CD2-CB 3.97Å; I60-C71 HydrophobicContact CG2-CB 4.46Å; C71-Q78 HydrophobicContact CB-CB 4.38Å; C71-Q78 PolarHBondContact N-O 3.15Å; C71-Q78 PolarHBondContact O-N 3.47Å; C71-W80 VanDerWaalsContact SG-CD1 3.58Å
72	C	89.6	Confident	87.4	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.8	177.1	-173.1	0	0	0	0	110.6	L57 V58 D59 C105	L57-C72 WeakPolarHBondContact CA-O 2.86Å; L57-C72 WeakPolarHBondContact CD2-O 3.4Å; V58-C72 PolarHBondContact N-O 3.17Å; D59-C72 PolarHBondContact N-O 3.17Å; D59-C72 PolarHBondContact O-N 3.36Å; C72-C105 HydrophobicContact CB-CB 3.46Å; C72-C105 VanDerWaalsContact CB-CB 3.46Å; C72-C105 WeakPolarHBondContact CB-SG 3.41Å
73	S	87.5	Confident	86.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	178.3	168.8	85.5	0	0	0	0	111.4	T55 N56 V58 K75 D76	T55-S73 VanDerWaalsContact OG1-CB 3.27Å; T55-S73 WeakPolarHBondContact OG1-CB 3.14Å; N56-S73 VanDerWaalsContact O-CA 3.24Å; N56-S73 WeakPolarHBondContact O-CA 3.4Å; N56-S73 WeakPolarHBondContact O-CB 3.32Å; V58-S73 VanDerWaalsContact CG2-C 3.4Å; S73-K75 PolarHBondContact O-N 3.49Å; S73-K75 VanDerWaalsContact O-N 3.09Å; S73-K75 PolarHBondContact OG-N 3.1Å; S73-K75 VanDerWaalsContact OG-N 3.09Å; S73-D76 VanDerWaalsContact CB-OD1 3.23Å; S73-D76 WeakPolarHBondContact CB-OD1 3.15Å; S73-D76 PolarHBondContact N-O 2.67Å; S73-D76 PolarHBondContact OG-N 2.95Å; S73-D76 PolarHBondContact OG-O 3.17Å; S73-D76 PolarHBondContact OG-OD1 2.95Å
74	D	85.2	Confident	85.9	Confident	36 Å²	36	31.9 Å²	31.9	19%	0.193	17%	0.171	C	C	.	.	S	Bend	trans	-58.1	-18.4	173.2	68.6	-30	0	0	0	113.4	N56 V58 P101 F102	N56-D74 PolarHBondContact O-N 3.34Å; V58-D74 HydrophobicContact CG2-CB 4.41Å; V58-D74 VanDerWaalsContact CG2-N 3.33Å; D74-P101 HydrophobicContact CB-CB 4.34Å; D74-P101 VanDerWaalsContact O-CA 3.23Å; D74-P101 WeakPolarHBondContact O-CA 3.18Å; D74-F102 PolarHBondContact O-N 2.82Å; D74-F102 VanDerWaalsContact O-N 3.14Å
75	K	83.4	Confident	85.1	Confident	97 Å²	97	36.3 Å²	36.3	42%	0.422	19%	0.191	S	C	.	.	S	Bend	trans	-133.4	-24.1	-171	-70	168.1	-170.4	155.1	0	115.2	S73	S73-K75 PolarHBondContact O-N 3.49Å; S73-K75 VanDerWaalsContact O-N 3.09Å; S73-K75 PolarHBondContact OG-N 3.1Å; S73-K75 VanDerWaalsContact OG-N 3.09Å
76	D	87.3	Confident	84.4	Confident	15 Å²	15	38.2 Å²	38.2	8%	0.08	19%	0.188	C	C	.	.			trans	-141.5	160.4	-171.4	79	-20.6	0	0	0	111.9	T55 S73 Q78 Q92 S93	T55-D76 PolarHBondContact OG1-OD1 3.17Å; S73-D76 VanDerWaalsContact CB-OD1 3.23Å; S73-D76 WeakPolarHBondContact CB-OD1 3.15Å; S73-D76 PolarHBondContact N-O 2.67Å; S73-D76 PolarHBondContact OG-N 2.95Å; S73-D76 PolarHBondContact OG-O 3.17Å; S73-D76 PolarHBondContact OG-OD1 2.95Å; D76-Q78 PolarHBondContact OD2-NE2 3.41Å; D76-Q92 PolarHBondContact OD2-NE2 2.99Å; D76-S93 WeakPolarHBondContact CA-OG 3.34Å; D76-S93 WeakPolarHBondContact CB-OG 3.07Å
77	V	90	Very high	83.5	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136	178.2	-178.5	0	0	0	0	108.1	L70 Q92 S93 F102 I114 C116	L70-V77 HydrophobicContact CD1-CG1 3.26Å; L70-V77 HydrophobicContact CG-CG1 4.37Å; V77-Q92 WeakPolarHBondContact O-CA 3.34Å; V77-S93 PolarHBondContact N-OG 2.71Å; V77-S93 PolarHBondContact O-N 3.11Å; V77-S93 PolarHBondContact O-OG 3.01Å; V77-F102 HydrophobicContact CG2-CD2 4.49Å; V77-F102 HydrophobicContact CG2-CE2 4.31Å; V77-I114 HydrophobicContact CG1-CD1 4.32Å; V77-I114 HydrophobicContact CG1-CG2 4.19Å; V77-C116 VanDerWaalsContact CG2-SG 3.59Å
78	Q	89.1	Confident	82.9	Confident	11 Å²	11	45 Å²	45	5%	0.051	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137	-176.1	-63.2	174.7	12	0	0	109.9	C71 D76 P89 Q92	C71-Q78 HydrophobicContact CB-CB 4.38Å; C71-Q78 PolarHBondContact N-O 3.15Å; C71-Q78 PolarHBondContact O-N 3.47Å; D76-Q78 PolarHBondContact OD2-NE2 3.41Å; Q78-P89 HydrophobicContact CB-CB 4.14Å; Q78-Q92 HydrophobicContact CG-CB 4.23Å; Q78-Q92 HydrophobicContact CG-CG 3.84Å
79	I	90.2	Very high	82.4	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.2	172.1	-57	174.8	0	0	0	108.2	I66 L69 L70 P89 A90 I91 I114 T150 L153	I66-I79 HydrophobicContact CD1-CG2 4.48Å; L69-I79 CarbonylContact O-C 3.55Å; L69-I79 WeakPolarHBondContact O-CA 3.13Å; L70-I79 HydrophobicContact CD1-CG1 4.28Å; I79-P89 CarbonylContact O-C 3.27Å; I79-A90 PolarHBondContact O-N 3.14Å; I79-I91 PolarHBondContact N-O 2.99Å; I79-I91 PolarHBondContact O-N 2.91Å; I79-I114 HydrophobicContact CD1-CD1 3.56Å; I79-I114 HydrophobicContact CG1-CD1 3.85Å; I79-T150 HydrophobicContact CD1-CG2 4.07Å; I79-L153 HydrophobicContact CD1-CD1 4.07Å; I79-L153 HydrophobicContact CG1-CD1 4.16Å
80	W	87	Confident	81.9	Confident	5 Å²	5	49.2 Å²	49.2	2%	0.019	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.5	179.5	-69.5	83.2	0	0	0	109.6	V51 S68 L69 C71 M82 Q88 P89	V51-W80 HydrophobicContact CB-CH2 4.08Å; V51-W80 HydrophobicContact CB-CZ2 4.28Å; V51-W80 HydrophobicContact CB-CZ3 4.2Å; V51-W80 HydrophobicContact CG1-CD2 4.11Å; V51-W80 HydrophobicContact CG1-CE3 4.17Å; V51-W80 HydrophobicContact CG1-CH2 3.17Å; V51-W80 HydrophobicContact CG1-CZ2 3.04Å; V51-W80 HydrophobicContact CG1-CZ3 3.72Å; V51-W80 HydrophobicContact CG2-CD2 4.1Å; V51-W80 HydrophobicContact CG2-CE3 3.67Å; V51-W80 HydrophobicContact CG2-CH2 3.99Å; V51-W80 HydrophobicContact CG2-CZ2 4.36Å; V51-W80 HydrophobicContact CG2-CZ3 3.58Å; S68-W80 CarbonylContact C-O 3.49Å; S68-W80 VanDerWaalsContact CA-O 3.3Å; S68-W80 WeakPolarHBondContact CA-O 3.42Å; S68-W80 WeakPolarHBondContact CB-O 3.3Å; L69-W80 HydrophobicContact CB-CB 4.25Å; L69-W80 PolarHBondContact N-O 2.85Å; L69-W80 PolarHBondContact O-N 2.83Å; C71-W80 VanDerWaalsContact SG-CD1 3.58Å; W80-M82 HydrophobicContact CB-SD 4.25Å; W80-M82 PolarHBondContact O-N 2.88Å; W80-Q88 VanDerWaalsContact CZ3-O 3.32Å; W80-Q88 WeakPolarHBondContact CZ3-O 3.14Å; W80-P89 HydrophobicContact CD2-CB 4.26Å; W80-P89 HydrophobicContact CH2-CB 4.33Å; W80-P89 VanDerWaalsContact CH2-CD 3.47Å; W80-P89 HydrophobicContact CH2-CG 4.46Å; W80-P89 HydrophobicContact CZ2-CB 3.76Å; W80-P89 HydrophobicContact CZ2-CG 4.05Å
81	D	84.6	Confident	81.4	Confident	25 Å²	25	52.3 Å²	52.3	13%	0.134	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	116.5	169.3	-166.6	-35.2	0	0	0	108.5	K49 R83 D84 A90	K49-D81 PolarHBondContact NZ-O 2.83Å; D81-R83 PolarHBondContact O-N 2.9Å; D81-R83 WeakPolarHBondContact OD1-CB 3.47Å; D81-R83 WeakPolarHBondContact OD1-CG 3.41Å; D81-R83 IonicContact OD1-CZ 2.7Å; D81-R83 PolarHBondContact OD1-N 2.88Å; D81-R83 IonicContact OD1-NE 3.31Å; D81-R83 PolarHBondContact OD1-NE 3.08Å; D81-R83 IonicContact OD1-NH2 3.85Å; D81-R83 IonicContact OD2-CZ 3.14Å; D81-R83 IonicContact OD2-NE 2.99Å; D81-R83 PolarHBondContact OD2-NE 2.85Å; D81-R83 IonicContact OD2-NH2 3.97Å; D81-R83 PolarHBondContact OD2-NH2 3.32Å; D81-D84 HydrophobicContact CB-CB 4.28Å; D81-D84 PolarHBondContact O-N 3.34Å; D81-A90 HydrophobicContact CB-CB 4.25Å
82	M	77.5	Confident	81.2	Confident	32 Å²	32	54.6 Å²	54.6	16%	0.158	28%	0.281	C	S	.	.	S	Bend	trans	-76.5	-16.4	-175.8	-66.3	-49.7	-67.7	0	0	112.8	Y27 L34 K49 L69 W80	Y27-M82 HydrophobicContact CD1-CE 3.82Å; Y27-M82 HydrophobicContact CE1-CE 3.48Å; Y27-M82 VanDerWaalsContact CE1-CE 3.48Å; Y27-M82 HydrophobicContact CE1-CG 4.04Å; Y27-M82 HydrophobicContact CE1-SD 4.44Å; L34-M82 HydrophobicContact CD2-CE 3.75Å; L34-M82 HydrophobicContact CD2-SD 4.07Å; K49-M82 HydrophobicContact CD-CE 4.1Å; K49-M82 PolarHBondContact NZ-O 3.25Å; K49-M82 VanDerWaalsContact NZ-O 3.17Å; L69-M82 HydrophobicContact CB-CG 4.02Å; L69-M82 HydrophobicContact CB-SD 3.98Å; L69-M82 HydrophobicContact CD2-SD 4.38Å; W80-M82 HydrophobicContact CB-SD 4.25Å; W80-M82 PolarHBondContact O-N 2.88Å
83	R	77.1	Confident	80.8	Confident	164 Å²	164	55 Å²	55	62%	0.619	28%	0.284	S	S	*	.	S	Bend	trans	-77.7	-29.6	177.2	-54.3	168.7	-67.5	-165	1.8	111.7	D81	D81-R83 PolarHBondContact O-N 2.9Å; D81-R83 WeakPolarHBondContact OD1-CB 3.47Å; D81-R83 WeakPolarHBondContact OD1-CG 3.41Å; D81-R83 IonicContact OD1-CZ 2.7Å; D81-R83 PolarHBondContact OD1-N 2.88Å; D81-R83 IonicContact OD1-NE 3.31Å; D81-R83 PolarHBondContact OD1-NE 3.08Å; D81-R83 IonicContact OD1-NH2 3.85Å; D81-R83 IonicContact OD2-CZ 3.14Å; D81-R83 IonicContact OD2-NE 2.99Å; D81-R83 PolarHBondContact OD2-NE 2.85Å; D81-R83 IonicContact OD2-NH2 3.97Å; D81-R83 PolarHBondContact OD2-NH2 3.32Å
84	D	71.2	Confident	79.7	Confident	74 Å²	74	63.9 Å²	63.9	40%	0.396	32%	0.319	S	S	.	.			trans	-84.3	125.8	-177	-75.6	-16.2	0	0	0	111.6	K49 D81 I86	K49-D84 WeakPolarHBondContact CE-O 3.36Å; K49-D84 PolarHBondContact NZ-O 3.18Å; D81-D84 HydrophobicContact CB-CB 4.28Å; D81-D84 PolarHBondContact O-N 3.34Å; D84-I86 HydrophobicContact CB-CB 4.45Å; D84-I86 HydrophobicContact CB-CD1 4.25Å; D84-I86 HydrophobicContact CB-CG1 4.18Å; D84-I86 PolarHBondContact O-N 2.8Å
85	N	68.6	Low	78.7	Confident	150 Å²	150	70.2 Å²	70.2	80%	0.802	35%	0.345	S	S	*	.			trans	-78	26.5	173.9	-79.1	-30.7	0	0	0	113.5
86	I	69.3	Low	77.9	Confident	93 Å²	93	69.9 Å²	69.9	48%	0.477	35%	0.345	S	S	.	.			trans	-88.3	130.9	-177.5	-56.8	173.6	0	0	0	108.7	D84 Q88	D84-I86 HydrophobicContact CB-CB 4.45Å; D84-I86 HydrophobicContact CB-CD1 4.25Å; D84-I86 HydrophobicContact CB-CG1 4.18Å; D84-I86 PolarHBondContact O-N 2.8Å; I86-Q88 HydrophobicContact CG2-CB 4.06Å; I86-Q88 PolarHBondContact O-N 2.87Å
87	P	70.1	Confident	77	Confident	89 Å²	89	73.8 Å²	73.8	58%	0.578	36%	0.361	S	S	*	.	S	Bend	trans	-82.3	36.3	179.7	35.9	-37.3	0	0	0	112.4
88	Q	74.9	Confident	76.1	Confident	140 Å²	140	75.2 Å²	75.2	65%	0.654	37%	0.368	S	S	*	.	S	Bend	trans	-138.4	148	179.3	-66.7	-175.5	8.3	0	0	109.6	W80 I86	W80-Q88 VanDerWaalsContact CZ3-O 3.32Å; W80-Q88 WeakPolarHBondContact CZ3-O 3.14Å; I86-Q88 HydrophobicContact CG2-CB 4.06Å; I86-Q88 PolarHBondContact O-N 2.87Å
89	P	77	Confident	75.6	Confident	32 Å²	32	81 Å²	81	21%	0.208	40%	0.4	C	S	.	.			trans	-63.8	143.4	175.1	27.7	-32.4	0	0	0	108.9	Q78 I79 W80 I91 Q92	Q78-P89 HydrophobicContact CB-CB 4.14Å; I79-P89 CarbonylContact O-C 3.27Å; W80-P89 HydrophobicContact CD2-CB 4.26Å; W80-P89 HydrophobicContact CH2-CB 4.33Å; W80-P89 VanDerWaalsContact CH2-CD 3.47Å; W80-P89 HydrophobicContact CH2-CG 4.46Å; W80-P89 HydrophobicContact CZ2-CB 3.76Å; W80-P89 HydrophobicContact CZ2-CG 4.05Å; P89-I91 VanDerWaalsContact C-N 3.27Å; P89-I91 PolarHBondContact O-N 3.15Å; P89-Q92 HydrophobicContact CG-CB 4.08Å
90	A	79.5	Confident	75.4	Confident	62 Å²	62	81.3 Å²	81.3	51%	0.512	40%	0.401	S	S	.	.	S	Bend	trans	-63.1	-40.3	174	0	0	0	0	0	110.4	I79 D81	I79-A90 PolarHBondContact O-N 3.14Å; D81-A90 HydrophobicContact CB-CB 4.25Å
91	I	82.3	Confident	75.5	Confident	65 Å²	65	83 Å²	83	33%	0.333	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	139.4	178.9	-45.7	177.8	0	0	0	108.6	I79 P89 T150 L153	I79-I91 PolarHBondContact N-O 2.99Å; I79-I91 PolarHBondContact O-N 2.91Å; P89-I91 VanDerWaalsContact C-N 3.27Å; P89-I91 PolarHBondContact O-N 3.15Å; I91-T150 VanDerWaalsContact CD1-O 3.23Å; I91-T150 WeakPolarHBondContact CD1-O 3.4Å; I91-L153 HydrophobicContact CB-CD1 4.07Å; I91-L153 HydrophobicContact CG2-CB 4.08Å; I91-L153 HydrophobicContact CG2-CD1 3.65Å; I91-L153 HydrophobicContact CG2-CG 3.72Å
92	Q	83.2	Confident	75.8	Confident	51 Å²	51	82.1 Å²	82.1	24%	0.238	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	143.8	178.6	175.6	174.5	14.7	0	0	110.8	D76 V77 Q78 P89 Y94	D76-Q92 PolarHBondContact OD2-NE2 2.99Å; V77-Q92 WeakPolarHBondContact O-CA 3.34Å; Q78-Q92 HydrophobicContact CG-CB 4.23Å; Q78-Q92 HydrophobicContact CG-CG 3.84Å; P89-Q92 HydrophobicContact CG-CB 4.08Å; Q92-Y94 WeakPolarHBondContact O-CD2 3.35Å; Q92-Y94 WeakPolarHBondContact O-CE2 3.29Å
93	S	82.2	Confident	76.6	Confident	8 Å²	8	81.7 Å²	81.7	6%	0.056	41%	0.407	C	S	.	.			trans	-76.3	119.2	168.9	65.7	0	0	0	0	110.6	D76 V77 K95 L153	D76-S93 WeakPolarHBondContact CA-OG 3.34Å; D76-S93 WeakPolarHBondContact CB-OG 3.07Å; V77-S93 PolarHBondContact N-OG 2.71Å; V77-S93 PolarHBondContact O-N 3.11Å; V77-S93 PolarHBondContact O-OG 3.01Å; S93-K95 PolarHBondContact O-N 3.08Å; S93-L153 WeakPolarHBondContact CA-O 3.14Å
94	Y	64.6	Low	77.3	Confident	187 Å²	187	73.9 Å²	73.9	73%	0.733	38%	0.378	S	S	*	.			trans	-86.5	-0.2	-173.2	-69.8	-74.4	0	0	0	115.3	Q92	Q92-Y94 WeakPolarHBondContact O-CD2 3.35Å; Q92-Y94 WeakPolarHBondContact O-CE2 3.29Å
95	K	64.4	Low	78.4	Confident	170 Å²	170	70.3 Å²	70.3	74%	0.739	36%	0.359	S	S	*	.	S	Bend	trans	-142.2	134	-178.7	-70.2	-176.9	-179	174.3	0	110.7	S93 F97	S93-K95 PolarHBondContact O-N 3.08Å; K95-F97 PolarHBondContact O-N 3.05Å
96	Q	65.8	Low	79.7	Confident	90 Å²	90	63.3 Å²	63.3	42%	0.421	32%	0.322	S	S	.	.			trans	-58	105.7	161.9	177.5	167.8	17.2	0	0	107.7	L98	Q96-L98 WeakPolarHBondContact CG-O 3.3Å; Q96-L98 PolarHBondContact NE2-O 2.85Å
97	F	67.6	Low	80.9	Confident	96 Å²	96	59.1 Å²	59.1	42%	0.421	30%	0.3	S	S	.	.			trans	-72.7	-41.3	-175.2	174	-107.1	0	0	0	111.3	K95 V146 P156 T159	K95-F97 PolarHBondContact O-N 3.05Å; F97-V146 HydrophobicContact CD1-CG1 3.85Å; F97-V146 HydrophobicContact CE1-CG1 4.04Å; F97-P156 HydrophobicContact CB-CG 4.46Å; F97-P156 HydrophobicContact CD1-CG 3.46Å; F97-P156 VanDerWaalsContact CD1-CG 3.46Å; F97-P156 HydrophobicContact CD2-CG 3.33Å; F97-P156 HydrophobicContact CE1-CB 4.46Å; F97-P156 HydrophobicContact CE1-CG 3.37Å; F97-P156 VanDerWaalsContact CE2-CD 3.45Å; F97-P156 HydrophobicContact CE2-CG 3.19Å; F97-P156 HydrophobicContact CG-CG 3.47Å; F97-P156 VanDerWaalsContact CG-CG 3.47Å; F97-P156 HydrophobicContact CZ-CG 3.23Å; F97-T159 HydrophobicContact CE1-CG2 3.71Å; F97-T159 HydrophobicContact CZ-CG2 4.36Å
98	L	72.2	Confident	82	Confident	32 Å²	32	54.9 Å²	54.9	17%	0.168	27%	0.273	C	S	.	.	S	Bend	trans	-114.9	146.3	176	-69.6	169.8	0	0	0	110.5	Q96 V100 T118 V146	Q96-L98 WeakPolarHBondContact CG-O 3.3Å; Q96-L98 PolarHBondContact NE2-O 2.85Å; L98-V100 HydrophobicContact CB-CB 4.16Å; L98-V100 HydrophobicContact CB-CG2 4.23Å; L98-V100 PolarHBondContact O-N 2.89Å; L98-T118 HydrophobicContact CD1-CG2 3.97Å; L98-V146 HydrophobicContact CD1-CG2 3.5Å; L98-V146 VanDerWaalsContact CD1-CG2 3.5Å
99	N	78.1	Confident	82.6	Confident	133 Å²	133	49.6 Å²	49.6	71%	0.711	25%	0.253	S	S	*	.	S	Bend	trans	-73.6	28.5	168.1	-71.6	-36	0	0	0	112.3	Y121	N99-Y121 HydrophobicContact CB-CE2 4.43Å
100	V	85.7	Confident	83.2	Confident	9 Å²	9	50.6 Å²	50.6	6%	0.055	26%	0.256	C	S	.	.	S	Bend	trans	-129.6	132.6	-175.4	-167.5	0	0	0	0	107.9	L98 E119 Y121	L98-V100 HydrophobicContact CB-CB 4.16Å; L98-V100 HydrophobicContact CB-CG2 4.23Å; L98-V100 PolarHBondContact O-N 2.89Å; V100-E119 HydrophobicContact CG1-CB 4.03Å; V100-E119 WeakPolarHBondContact CG1-O 3.3Å; V100-Y121 HydrophobicContact CG2-CD2 3.49Å; V100-Y121 VanDerWaalsContact CG2-CD2 3.49Å; V100-Y121 HydrophobicContact CG2-CE2 4.27Å; V100-Y121 HydrophobicContact CG2-CG 4Å
101	P	89.1	Confident	83.8	Confident	40 Å²	40	47.8 Å²	47.8	26%	0.26	23%	0.233	S	C	.	.			trans	-64.5	145.6	176.6	-22	34.4	0	0	0	112.8	D74 T118 E119	D74-P101 HydrophobicContact CB-CB 4.34Å; D74-P101 VanDerWaalsContact O-CA 3.23Å; D74-P101 WeakPolarHBondContact O-CA 3.18Å; P101-T118 WeakPolarHBondContact O-CA 3.42Å; P101-E119 HydrophobicContact CB-CG 4.36Å; P101-E119 PolarHBondContact O-N 2.93Å; P101-E119 VanDerWaalsContact O-N 3.15Å
102	F	91.9	Very high	84.2	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.035	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	148.5	162.9	-58.3	-56.3	0	0	0	110.7	D74 V77 C116 G117 T118 V146 W148	D74-F102 PolarHBondContact O-N 2.82Å; D74-F102 VanDerWaalsContact O-N 3.14Å; V77-F102 HydrophobicContact CG2-CD2 4.49Å; V77-F102 HydrophobicContact CG2-CE2 4.31Å; F102-C116 HydrophobicContact CD1-CB 3.61Å; F102-C116 HydrophobicContact CE1-CB 3.97Å; F102-C116 HydrophobicContact CG-CB 4.09Å; F102-G117 VanDerWaalsContact CA-O 3.3Å; F102-G117 WeakPolarHBondContact CA-O 3.47Å; F102-T118 HydrophobicContact CD1-CG2 3.93Å; F102-T118 HydrophobicContact CE1-CG2 4.12Å; F102-V146 HydrophobicContact CE1-CB 4.32Å; F102-V146 HydrophobicContact CE1-CG2 4.12Å; F102-W148 AromaticContact CE1-CH2 3.86Å; F102-W148 HydrophobicContact CE1-CH2 3.86Å; F102-W148 HydrophobicContact CE2-CH2 4.37Å; F102-W148 AromaticContact CZ-CH2 3.52Å; F102-W148 HydrophobicContact CZ-CH2 3.52Å; F102-W148 HydrophobicContact CZ-CZ2 4.12Å
103	T	92.9	Very high	84.7	Confident	22 Å²	22	44.1 Å²	44.1	14%	0.135	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-29.4	-175.9	46.9	0	0	0	0	113	V58 G117 E119 I168	V58-T103 VanDerWaalsContact CG1-O 3.26Å; V58-T103 WeakPolarHBondContact CG1-O 3.4Å; T103-G117 PolarHBondContact N-O 3.45Å; T103-G117 VanDerWaalsContact OG1-C 3.29Å; T103-G117 PolarHBondContact OG1-O 2.87Å; T103-E119 HydrophobicContact CG2-CB 4.42Å; T103-E119 HydrophobicContact CG2-CG 3.48Å; T103-E119 VanDerWaalsContact CG2-CG 3.48Å; T103-I168 WeakPolarHBondContact CB-O 3.31Å; T103-I168 PolarHBondContact OG1-O 3.34Å
104	C	93.6	Very high	85.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	165	-177.5	56.9	0	0	0	0	110.4	C116 G117 V169 D170	C104-C116 VanDerWaalsContact O-CA 3.3Å; C104-C116 WeakPolarHBondContact O-CA 3.41Å; C104-G117 PolarHBondContact O-N 2.73Å; C104-G117 VanDerWaalsContact O-N 3.12Å; C104-V169 WeakPolarHBondContact CB-O 3.38Å; C104-D170 VanDerWaalsContact SG-CA 3.55Å; C104-D170 PolarHBondContact SG-N 2.86Å
105	C	94.6	Very high	86.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	158.3	178.2	73.5	0	0	0	0	113.1	D59 L70 C72 C115	D59-C105 PolarHBondContact OD2-N 2.89Å; D59-C105 VanDerWaalsContact OD2-O 3.08Å; L70-C105 HydrophobicContact CD2-CB 3.81Å; L70-C105 VanDerWaalsContact CD2-SG 3.52Å; C72-C105 HydrophobicContact CB-CB 3.46Å; C72-C105 VanDerWaalsContact CB-CB 3.46Å; C72-C105 WeakPolarHBondContact CB-SG 3.41Å; C105-C115 CarbonylContact C-O 3.54Å; C105-C115 VanDerWaalsContact CA-O 3.29Å; C105-C115 WeakPolarHBondContact CA-O 3.34Å
106	S	95.1	Very high	88.2	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	151.6	166.3	-174.3	0	0	0	0	111.5	D61 I114 C115 V171 F173	D61-S106 WeakPolarHBondContact OD2-CA 3.36Å; D61-S106 WeakPolarHBondContact OD2-CB 3.24Å; D61-S106 PolarHBondContact OD2-OG 2.86Å; S106-I114 WeakPolarHBondContact O-CA 3.19Å; S106-C115 PolarHBondContact N-O 3.13Å; S106-C115 PolarHBondContact O-N 2.97Å; S106-V171 VanDerWaalsContact CB-O 3.28Å; S106-V171 WeakPolarHBondContact CB-O 3.37Å; S106-F173 WeakPolarHBondContact O-CE2 3.38Å; S106-F173 WeakPolarHBondContact OG-CD2 3.38Å; S106-F173 PolarHBondContact OG-N 3.31Å
107	I	93.8	Very high	89.6	Confident	5 Å²	5	22.4 Å²	22.4	3%	0.026	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.3	173	-169.6	164.1	0	0	0	109.6	D61 I66 L70 I114 T150 F173	D61-I107 HydrophobicContact CB-CG2 4.06Å; D61-I107 PolarHBondContact OD2-N 3.24Å; I66-I107 HydrophobicContact CD1-CD1 3.87Å; L70-I107 HydrophobicContact CB-CB 4.21Å; L70-I107 HydrophobicContact CB-CG2 4.14Å; L70-I107 HydrophobicContact CD2-CB 3.97Å; I107-I114 HydrophobicContact CB-CG1 4.21Å; I107-I114 HydrophobicContact CD1-CD1 4.35Å; I107-I114 HydrophobicContact CD1-CG1 3.98Å; I107-I114 HydrophobicContact CG1-CG1 3.89Å; I107-T150 HydrophobicContact CD1-CG2 4.11Å; I107-T150 HydrophobicContact CG1-CG2 4.49Å; I107-F173 VanDerWaalsContact C-CD2 3.4Å
108	S	93.1	Very high	90.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.105	C	C	.	.			trans	-57.4	149.9	174.9	49.5	0	0	0	0	112	S63 D110 G111 S112 L113 F173	S63-S108 PolarHBondContact OG-O 3.31Å; S108-D110 WeakPolarHBondContact CB-OD1 3.19Å; S108-D110 PolarHBondContact O-N 2.85Å; S108-D110 PolarHBondContact OG-OD1 3.23Å; S108-D110 VanDerWaalsContact OG-OD1 3.05Å; S108-G111 WeakPolarHBondContact O-CA 3.42Å; S108-G111 PolarHBondContact O-N 3.17Å; S108-S112 PolarHBondContact OG-N 3.49Å; S108-S112 VanDerWaalsContact OG-N 3.08Å; S108-L113 PolarHBondContact N-O 3.31Å; S108-L113 PolarHBondContact OG-N 2.97Å; S108-L113 PolarHBondContact OG-O 3.33Å; S108-F173 VanDerWaalsContact N-CD2 3.26Å
109	A	89.2	Confident	91.8	Very high	28 Å²	28	20 Å²	20	23%	0.231	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-33.9	-177.4	0	0	0	0	0	112.9	S63 P64 G65 G111	S63-A109 PolarHBondContact OG-O 3.15Å; P64-A109 HydrophobicContact CG-CB 4.45Å; G65-A109 VanDerWaalsContact CA-O 3.3Å; G65-A109 WeakPolarHBondContact CA-O 3.3Å; G65-A109 PolarHBondContact N-O 2.85Å; A109-G111 VanDerWaalsContact C-N 3.3Å
110	D	89.2	Confident	92.4	Very high	54 Å²	54	14 Å²	14	29%	0.289	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-9	174.6	72.1	-11.1	0	0	0	113.4	S108 S112	S108-D110 WeakPolarHBondContact CB-OD1 3.19Å; S108-D110 PolarHBondContact O-N 2.85Å; S108-D110 PolarHBondContact OG-OD1 3.23Å; S108-D110 VanDerWaalsContact OG-OD1 3.05Å; D110-S112 VanDerWaalsContact C-N 3.33Å; D110-S112 VanDerWaalsContact CG-OG 3.26Å; D110-S112 WeakPolarHBondContact OD1-CB 3.41Å; D110-S112 PolarHBondContact OD1-N 3Å; D110-S112 PolarHBondContact OD1-OG 2.73Å; D110-S112 PolarHBondContact OD2-OG 2.89Å; D110-S112 VanDerWaalsContact OD2-OG 3.11Å
111	G	90.8	Very high	91.9	Very high	2 Å²	2	17.2 Å²	17.2	2%	0.021	9%	0.094	C	C	.	.	S	Bend	trans	71.4	25.1	179	0	0	0	0	0	113.5	S63 S108 A109 T150	S63-G111 WeakPolarHBondContact OG-CA 3.43Å; S63-G111 PolarHBondContact OG-N 3.37Å; S63-G111 VanDerWaalsContact OG-N 3.15Å; S108-G111 WeakPolarHBondContact O-CA 3.42Å; S108-G111 PolarHBondContact O-N 3.17Å; A109-G111 VanDerWaalsContact C-N 3.3Å; G111-T150 VanDerWaalsContact O-CB 3.29Å; G111-T150 WeakPolarHBondContact O-CB 3.43Å; G111-T150 WeakPolarHBondContact O-CG2 3.48Å; G111-T150 PolarHBondContact O-OG1 3.03Å
112	S	91.2	Very high	91	Very high	22 Å²	22	21.9 Å²	21.9	15%	0.154	11%	0.106	C	C	.	.	S	Bend	trans	-87.7	-37	-179.9	63.7	0	0	0	0	113.3	S108 D110 D149 T150 L182	S108-S112 PolarHBondContact OG-N 3.49Å; S108-S112 VanDerWaalsContact OG-N 3.08Å; D110-S112 VanDerWaalsContact C-N 3.33Å; D110-S112 VanDerWaalsContact CG-OG 3.26Å; D110-S112 WeakPolarHBondContact OD1-CB 3.41Å; D110-S112 PolarHBondContact OD1-N 3Å; D110-S112 PolarHBondContact OD1-OG 2.73Å; D110-S112 PolarHBondContact OD2-OG 2.89Å; D110-S112 VanDerWaalsContact OD2-OG 3.11Å; S112-D149 WeakPolarHBondContact O-CA 3.31Å; S112-T150 PolarHBondContact O-N 3.16Å; S112-T150 PolarHBondContact O-OG1 3.36Å; S112-L182 WeakPolarHBondContact OG-CD1 3.3Å
113	L	92.8	Very high	89.5	Confident	17 Å²	17	25.7 Å²	25.7	9%	0.089	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.2	-178.9	-69.2	-179.9	0	0	0	112.5	S108 W148 L157 F173 L182 M198	S108-L113 PolarHBondContact N-O 3.31Å; S108-L113 PolarHBondContact OG-N 2.97Å; S108-L113 PolarHBondContact OG-O 3.33Å; L113-W148 WeakPolarHBondContact CA-O 3.5Å; L113-W148 WeakPolarHBondContact CD2-O 3.38Å; L113-L157 HydrophobicContact CD2-CD1 3.65Å; L113-F173 HydrophobicContact CB-CE1 4.31Å; L113-F173 HydrophobicContact CB-CZ 3.85Å; L113-L182 HydrophobicContact CB-CD1 4.33Å; L113-L182 HydrophobicContact CD1-CD1 3.58Å; L113-L182 HydrophobicContact CG-CD1 3.95Å; L113-M198 HydrophobicContact CD1-CB 4.12Å
114	I	94.6	Very high	87.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	142.7	165.4	-69.8	159.9	0	0	0	108.4	L70 V77 I79 S106 I107 Y147 W148 T150 L153	L70-I114 HydrophobicContact CD1-CD1 3.57Å; L70-I114 HydrophobicContact CD1-CG1 3.95Å; L70-I114 HydrophobicContact CD1-CG2 4.07Å; L70-I114 HydrophobicContact CD2-CG1 4.27Å; L70-I114 HydrophobicContact CD2-CG2 3.81Å; V77-I114 HydrophobicContact CG1-CD1 4.32Å; V77-I114 HydrophobicContact CG1-CG2 4.19Å; I79-I114 HydrophobicContact CD1-CD1 3.56Å; I79-I114 HydrophobicContact CG1-CD1 3.85Å; S106-I114 WeakPolarHBondContact O-CA 3.19Å; I107-I114 HydrophobicContact CB-CG1 4.21Å; I107-I114 HydrophobicContact CD1-CD1 4.35Å; I107-I114 HydrophobicContact CD1-CG1 3.98Å; I107-I114 HydrophobicContact CG1-CG1 3.89Å; I114-Y147 CarbonylContact O-C 3.5Å; I114-Y147 WeakPolarHBondContact O-CA 3.48Å; I114-Y147 WeakPolarHBondContact O-CB 3.46Å; I114-W148 HydrophobicContact CG2-CE3 4.41Å; I114-W148 PolarHBondContact N-O 2.87Å; I114-W148 PolarHBondContact O-N 2.7Å; I114-T150 HydrophobicContact CD1-CG2 3.74Å; I114-T150 HydrophobicContact CG1-CG2 3.77Å; I114-L153 HydrophobicContact CD1-CD2 4.07Å
115	C	95	Very high	85.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.5	170.6	-163.7	0	0	0	0	110.9	C105 S106 V146 V171 F173 L184	C105-C115 CarbonylContact C-O 3.54Å; C105-C115 VanDerWaalsContact CA-O 3.29Å; C105-C115 WeakPolarHBondContact CA-O 3.34Å; S106-C115 PolarHBondContact N-O 3.13Å; S106-C115 PolarHBondContact O-N 2.97Å; C115-V146 CarbonylContact C-O 3.57Å; C115-V146 WeakPolarHBondContact CA-O 3.29Å; C115-V171 HydrophobicContact CB-CG1 4.1Å; C115-F173 HydrophobicContact CB-CE2 3.9Å; C115-F173 HydrophobicContact CB-CZ 4.03Å; C115-L184 HydrophobicContact CB-CD1 4.11Å; C115-L184 HydrophobicContact CB-CD2 3.84Å; C115-L184 WeakPolarHBondContact SG-CD2 3.28Å
116	C	95.3	Very high	83.7	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.1	176.7	-63.3	0	0	0	0	110.2	V77 F102 C104 L145 V146 W148	V77-C116 VanDerWaalsContact CG2-SG 3.59Å; F102-C116 HydrophobicContact CD1-CB 3.61Å; F102-C116 HydrophobicContact CE1-CB 3.97Å; F102-C116 HydrophobicContact CG-CB 4.09Å; C104-C116 VanDerWaalsContact O-CA 3.3Å; C104-C116 WeakPolarHBondContact O-CA 3.41Å; C116-L145 WeakPolarHBondContact O-CA 3.36Å; C116-V146 PolarHBondContact N-O 2.89Å; C116-V146 PolarHBondContact O-N 3.19Å; C116-W148 HydrophobicContact CB-CZ3 3.99Å
117	G	95.3	Very high	81.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	154.4	167.5	0	0	0	0	0	111.5	F102 T103 C104	F102-G117 VanDerWaalsContact CA-O 3.3Å; F102-G117 WeakPolarHBondContact CA-O 3.47Å; T103-G117 PolarHBondContact N-O 3.45Å; T103-G117 VanDerWaalsContact OG1-C 3.29Å; T103-G117 PolarHBondContact OG1-O 2.87Å; C104-G117 PolarHBondContact O-N 2.73Å; C104-G117 VanDerWaalsContact O-N 3.12Å
118	T	94	Very high	79.4	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	163.4	175.7	74.4	0	0	0	0	112.5	L98 P101 F102 A143 Q144 V146 I168	L98-T118 HydrophobicContact CD1-CG2 3.97Å; P101-T118 WeakPolarHBondContact O-CA 3.42Å; F102-T118 HydrophobicContact CD1-CG2 3.93Å; F102-T118 HydrophobicContact CE1-CG2 4.12Å; T118-A143 WeakPolarHBondContact O-CB 3.13Å; T118-Q144 HydrophobicContact CG2-CB 4.46Å; T118-Q144 WeakPolarHBondContact CG2-O 3.23Å; T118-Q144 PolarHBondContact N-O 2.54Å; T118-Q144 VanDerWaalsContact N-O 3.08Å; T118-Q144 PolarHBondContact OG1-N 3.46Å; T118-Q144 PolarHBondContact OG1-O 3.47Å; T118-V146 HydrophobicContact CG2-CG2 4.04Å; T118-I168 PolarHBondContact O-N 3.19Å; T118-I168 VanDerWaalsContact O-N 3.1Å
119	E	93	Very high	77.2	Confident	75 Å²	75	82.9 Å²	82.9	35%	0.35	36%	0.36	S	S	.	.			trans	-64.3	165.6	158.8	-61.2	-175.7	169.6	0	0	110.9	V100 P101 T103 D167	V100-E119 HydrophobicContact CG1-CB 4.03Å; V100-E119 WeakPolarHBondContact CG1-O 3.3Å; P101-E119 HydrophobicContact CB-CG 4.36Å; P101-E119 PolarHBondContact O-N 2.93Å; P101-E119 VanDerWaalsContact O-N 3.15Å; T103-E119 HydrophobicContact CG2-CB 4.42Å; T103-E119 HydrophobicContact CG2-CG 3.48Å; T103-E119 VanDerWaalsContact CG2-CG 3.48Å; E119-D167 WeakPolarHBondContact CA-OD1 3.41Å
120	V	90.2	Very high	75.3	Confident	9 Å²	9	88.3 Å²	88.3	6%	0.055	38%	0.384	C	S	.	.			trans	-69.4	131.5	168.8	173.8	0	0	0	0	110.3	R122 E141 A143 D167	V120-R122 HydrophobicContact CB-CG 4.47Å; V120-R122 HydrophobicContact CG1-CG 4.01Å; V120-R122 PolarHBondContact O-N 3.27Å; V120-E141 HydrophobicContact CG1-CB 3.9Å; V120-E141 WeakPolarHBondContact CG1-O 3.45Å; V120-A143 HydrophobicContact CG2-CB 4.12Å; V120-D167 PolarHBondContact N-OD1 2.76Å
121	Y	75.5	Confident	73.1	Confident	76 Å²	76	94 Å²	94	30%	0.298	42%	0.415	S	S	.	.			trans	-71.5	87.3	175	-172.1	-127.5	0	0	0	112.5	N99 V100 L123	N99-Y121 HydrophobicContact CB-CE2 4.43Å; V100-Y121 HydrophobicContact CG2-CD2 3.49Å; V100-Y121 VanDerWaalsContact CG2-CD2 3.49Å; V100-Y121 HydrophobicContact CG2-CE2 4.27Å; V100-Y121 HydrophobicContact CG2-CG 4Å; Y121-L123 HydrophobicContact CD1-CD1 4.04Å; Y121-L123 HydrophobicContact CD1-CG 4.09Å; Y121-L123 HydrophobicContact CE1-CB 4.44Å; Y121-L123 HydrophobicContact CE1-CD1 3.31Å; Y121-L123 HydrophobicContact CE1-CD2 4.23Å; Y121-L123 HydrophobicContact CE1-CG 3.34Å; Y121-L123 HydrophobicContact CE2-CG 4.45Å; Y121-L123 PolarHBondContact O-N 2.9Å
122	R	69.8	Low	71.2	Confident	138 Å²	138	97.3 Å²	97.3	52%	0.521	44%	0.438	S	S	.	.			trans	-85.8	85.4	174	-61.6	-179.6	-176.7	106.4	-2.8	109.6	V120 K124 D166 D167	V120-R122 HydrophobicContact CB-CG 4.47Å; V120-R122 HydrophobicContact CG1-CG 4.01Å; V120-R122 PolarHBondContact O-N 3.27Å; R122-K124 PolarHBondContact O-N 2.95Å; R122-D166 IonicContact NH2-OD1 3.71Å; R122-D166 PolarHBondContact NH2-OD1 3.27Å; R122-D167 IonicContact NH1-OD1 2.96Å
123	L	60.8	Low	69.2	Low	88 Å²	88	106.6 Å²	106.6	46%	0.461	48%	0.475	S	S	.	.			trans	-54.7	111.8	167.1	-98.7	155.6	0	0	0	108.3	Y121 K125	Y121-L123 HydrophobicContact CD1-CD1 4.04Å; Y121-L123 HydrophobicContact CD1-CG 4.09Å; Y121-L123 HydrophobicContact CE1-CB 4.44Å; Y121-L123 HydrophobicContact CE1-CD1 3.31Å; Y121-L123 HydrophobicContact CE1-CD2 4.23Å; Y121-L123 HydrophobicContact CE1-CG 3.34Å; Y121-L123 HydrophobicContact CE2-CG 4.45Å; Y121-L123 PolarHBondContact O-N 2.9Å; L123-K125 PolarHBondContact O-N 2.91Å
124	K	56.5	Low	66.7	Low	203 Å²	203	112.3 Å²	112.3	88%	0.883	51%	0.506	S	S	*	.			trans	-59	90.7	167.6	-73	-178.2	-179.4	173.2	0	107.3	R122 K126	R122-K124 PolarHBondContact O-N 2.95Å; K124-K126 PolarHBondContact O-N 3.31Å
125	K	52.4	Low	64.1	Low	164 Å²	164	116.8 Å²	116.8	71%	0.713	54%	0.543	S	S	*	.			trans	-59.8	86.6	174.8	-79.2	176.9	177.5	116.3	0	107.5	L123 R127 E141	L123-K125 PolarHBondContact O-N 2.91Å; K125-R127 VanDerWaalsContact C-N 3.32Å; K125-R127 PolarHBondContact O-N 2.76Å; K125-E141 IonicContact NZ-OE1 3.42Å; K125-E141 PolarHBondContact NZ-OE1 3.19Å
126	K	50.5	Low	61.7	Low	186 Å²	186	122 Å²	122	81%	0.809	58%	0.579	S	S	*	*			trans	-57.3	106.7	155.7	-90.4	-176	176.2	174.1	0	104.3	K124 R128	K124-K126 PolarHBondContact O-N 3.31Å; K126-R128 PolarHBondContact O-N 2.94Å
127	R	49.2	Very low	59	Low	252 Å²	252	130.3 Å²	130.3	95%	0.951	62%	0.618	S	S	*	*			trans	-48.4	82.4	171.4	-77.4	175.3	136.7	154.7	-3.5	110	K125	K125-R127 VanDerWaalsContact C-N 3.32Å; K125-R127 PolarHBondContact O-N 2.76Å
128	R	48.5	Very low	56.4	Low	213 Å²	213	135.9 Å²	135.9	80%	0.804	66%	0.655	S	S	*	*			trans	-100.4	102.1	162.8	-79	-174.7	167.6	168.1	-3.7	104.9	K126 L130	K126-R128 PolarHBondContact O-N 2.94Å; R128-L130 PolarHBondContact O-N 3.21Å
129	K	46.7	Very low	54.5	Low	213 Å²	213	142 Å²	142	93%	0.926	69%	0.688	S	S	*	*			trans	-51.4	97.8	154.5	-77.5	178.5	173.9	178.5	0	106.4
130	L	49.6	Very low	52.7	Low	141 Å²	141	140.3 Å²	140.3	74%	0.738	69%	0.687	S	S	*	*			trans	-134.1	106.9	169.2	-142.3	86	0	0	0	108	R128 S132	R128-L130 PolarHBondContact O-N 3.21Å; L130-S132 PolarHBondContact O-N 2.84Å
131	N	43.3	Very low	52	Low	174 Å²	174	143.9 Å²	143.9	93%	0.93	70%	0.703	S	S	*	*			trans	-52.3	101.7	161.2	-66.9	-28.9	0	0	0	108.1
132	S	50.3	Low	52.7	Low	72 Å²	72	141 Å²	141	50%	0.503	69%	0.694	S	S	.	*			trans	-134.9	108.4	166.7	178.4	0	0	0	0	107.6	L130 N134	L130-S132 PolarHBondContact O-N 2.84Å; S132-N134 PolarHBondContact O-N 3.38Å; S132-N134 PolarHBondContact OG-N 2.77Å
133	K	50	Low	53.8	Low	216 Å²	216	134.6 Å²	134.6	94%	0.939	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	13.3	171.1	-89	-178.5	169.9	-179	0	113.1
134	N	39.7	Very low	55.3	Low	138 Å²	138	132 Å²	132	74%	0.738	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.9	40.4	179.4	-63.6	-8.3	0	0	0	111.2	S132 S136	S132-N134 PolarHBondContact O-N 3.38Å; S132-N134 PolarHBondContact OG-N 2.77Å; N134-S136 PolarHBondContact O-N 3.15Å
135	A	41.2	Very low	57.1	Low	93 Å²	93	122.4 Å²	122.4	77%	0.769	61%	0.614	S	S	*	*			trans	-72	81.9	163.2	0	0	0	0	0	107.5	E137	A135-E137 PolarHBondContact O-N 2.73Å; A135-E137 VanDerWaalsContact O-N 3.17Å
136	S	42.8	Very low	59	Low	109 Å²	109	114.6 Å²	114.6	76%	0.762	58%	0.58	S	S	*	*			trans	-55.7	115.6	168.7	48.2	0	0	0	0	108.1	N134 C138	N134-S136 PolarHBondContact O-N 3.15Å; S136-C138 PolarHBondContact O-N 3.1Å
137	E	40.1	Very low	61	Low	176 Å²	176	106.1 Å²	106.1	82%	0.822	54%	0.543	S	S	*	.	S	Bend	trans	28.7	87.6	162	-74	170.2	164.2	0	0	116	A135 D139	A135-E137 PolarHBondContact O-N 2.73Å; A135-E137 VanDerWaalsContact O-N 3.17Å; E137-D139 PolarHBondContact O-N 2.89Å
138	C	40.4	Very low	63.1	Low	116 Å²	116	94.4 Å²	94.4	78%	0.784	50%	0.499	S	S	*	.			trans	30.9	72.6	130.4	-158.8	0	0	0	0	115.8	S136 A140	S136-C138 PolarHBondContact O-N 3.1Å; C138-A140 PolarHBondContact O-N 2.89Å
139	D	53.3	Low	65.1	Low	129 Å²	129	86.2 Å²	86.2	69%	0.69	47%	0.471	S	S	*	.			trans	-64.1	87.4	154.3	-72.2	-33.4	0	0	0	106.4	E137 E141	E137-D139 PolarHBondContact O-N 2.89Å; D139-E141 PolarHBondContact O-N 3.05Å
140	A	56	Low	67.2	Low	40 Å²	40	76.7 Å²	76.7	33%	0.331	43%	0.43	S	S	.	.			trans	-57.1	139.6	171.6	0	0	0	0	0	107.9	C138 T142	C138-A140 PolarHBondContact O-N 2.89Å; A140-T142 HydrophobicContact CB-CG2 3.72Å; A140-T142 PolarHBondContact O-N 2.89Å
141	E	76.2	Confident	69.1	Low	85 Å²	85	79.4 Å²	79.4	40%	0.397	43%	0.431	S	S	.	.	S	Bend	trans	-72.8	80.8	177.3	-61.6	175.6	-164.1	0	0	106.8	V120 K125 D139	V120-E141 HydrophobicContact CG1-CB 3.9Å; V120-E141 WeakPolarHBondContact CG1-O 3.45Å; K125-E141 IonicContact NZ-OE1 3.42Å; K125-E141 PolarHBondContact NZ-OE1 3.19Å; D139-E141 PolarHBondContact O-N 3.05Å
142	T	88.9	Confident	71.2	Confident	16 Å²	16	75 Å²	75	10%	0.098	41%	0.407	C	S	.	.			trans	-121	153.7	-179	71.1	0	0	0	0	110.8	A140 H164	A140-T142 HydrophobicContact CB-CG2 3.72Å; A140-T142 PolarHBondContact O-N 2.89Å; T142-H164 WeakPolarHBondContact CA-O 3.24Å; T142-H164 VanDerWaalsContact CB-O 3.24Å; T142-H164 WeakPolarHBondContact CB-O 3.18Å
143	A	92.6	Very high	73	Confident	2 Å²	2	71.8 Å²	71.8	2%	0.017	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	159.9	165.1	0	0	0	0	0	109.9	T118 V120 H164 D166 I168	T118-A143 WeakPolarHBondContact O-CB 3.13Å; V120-A143 HydrophobicContact CG2-CB 4.12Å; A143-H164 HydrophobicContact CB-CB 4.18Å; A143-H164 PolarHBondContact N-O 3.12Å; A143-D166 VanDerWaalsContact CB-O 3.25Å; A143-D166 WeakPolarHBondContact CB-O 3.31Å; A143-I168 HydrophobicContact CB-CD1 3.98Å; A143-I168 HydrophobicContact CB-CG1 3.77Å
144	Q	92.8	Very high	74.7	Confident	34 Å²	34	65.4 Å²	65.4	16%	0.159	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.7	-174.8	-56.3	-178.9	6	0	0	110.3	T118 I160 K161 I168	T118-Q144 HydrophobicContact CG2-CB 4.46Å; T118-Q144 WeakPolarHBondContact CG2-O 3.23Å; T118-Q144 PolarHBondContact N-O 2.54Å; T118-Q144 VanDerWaalsContact N-O 3.08Å; T118-Q144 PolarHBondContact OG1-N 3.46Å; T118-Q144 PolarHBondContact OG1-O 3.47Å; Q144-I160 CarbonylContact C-O 3.58Å; Q144-I160 VanDerWaalsContact CA-O 3.32Å; Q144-I160 WeakPolarHBondContact CA-O 3.48Å; Q144-K161 HydrophobicContact CG-CB 4.04Å; Q144-I168 WeakPolarHBondContact O-CD1 3.25Å
145	L	94.1	Very high	76.9	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	134.9	159.8	-68.6	174.8	0	0	0	108.8	C116 T159 I160 I168 V171 L184 D186 Y196	C116-L145 WeakPolarHBondContact O-CA 3.36Å; L145-T159 CarbonylContact O-C 3.56Å; L145-T159 WeakPolarHBondContact O-CA 3.26Å; L145-I160 HydrophobicContact CB-CB 4.18Å; L145-I160 HydrophobicContact CD1-CD1 4.33Å; L145-I160 PolarHBondContact N-O 2.87Å; L145-I160 PolarHBondContact O-N 2.89Å; L145-I168 HydrophobicContact CD2-CD1 3.85Å; L145-I168 HydrophobicContact CD2-CG2 4.39Å; L145-I168 HydrophobicContact CG-CD1 3.96Å; L145-V171 HydrophobicContact CD2-CG2 3.53Å; L145-L184 HydrophobicContact CD1-CD2 4.05Å; L145-D186 HydrophobicContact CD1-CB 4.33Å; L145-D186 VanDerWaalsContact CD1-OD2 3.31Å; L145-D186 WeakPolarHBondContact CD1-OD2 3.38Å; L145-D186 HydrophobicContact CD2-CB 4Å; L145-Y196 HydrophobicContact CD1-CD2 4.07Å; L145-Y196 HydrophobicContact CD1-CE1 4.23Å; L145-Y196 HydrophobicContact CD1-CE2 3.4Å; L145-Y196 VanDerWaalsContact CD1-CZ 3.47Å
146	V	92.6	Very high	79.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.6	175.5	-167.4	0	0	0	0	108	F97 L98 F102 C115 C116 T118 W148 P156 T159	F97-V146 HydrophobicContact CD1-CG1 3.85Å; F97-V146 HydrophobicContact CE1-CG1 4.04Å; L98-V146 HydrophobicContact CD1-CG2 3.5Å; L98-V146 VanDerWaalsContact CD1-CG2 3.5Å; F102-V146 HydrophobicContact CE1-CB 4.32Å; F102-V146 HydrophobicContact CE1-CG2 4.12Å; C115-V146 CarbonylContact C-O 3.57Å; C115-V146 WeakPolarHBondContact CA-O 3.29Å; C116-V146 PolarHBondContact N-O 2.89Å; C116-V146 PolarHBondContact O-N 3.19Å; T118-V146 HydrophobicContact CG2-CG2 4.04Å; V146-W148 HydrophobicContact CB-CH2 3.52Å; V146-W148 HydrophobicContact CB-CZ2 4.35Å; V146-W148 HydrophobicContact CB-CZ3 3.73Å; V146-W148 HydrophobicContact CG1-CE3 4.34Å; V146-W148 HydrophobicContact CG1-CH2 3.15Å; V146-W148 HydrophobicContact CG1-CZ2 3.49Å; V146-W148 VanDerWaalsContact CG1-CZ2 3.49Å; V146-W148 HydrophobicContact CG1-CZ3 3.64Å; V146-W148 WeakPolarHBondContact O-CZ3 3.46Å; V146-P156 HydrophobicContact CG1-CB 3.6Å; V146-P156 HydrophobicContact CG1-CG 3.95Å; V146-T159 HydrophobicContact CB-CG2 4.43Å; V146-T159 HydrophobicContact CG1-CG2 4.1Å; V146-T159 HydrophobicContact CG2-CG2 4.02Å
147	Y	93.1	Very high	81.4	Confident	9 Å²	9	57.6 Å²	57.6	4%	0.035	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.7	-177.6	64.4	-86.7	0	0	0	113.3	I114 P156 L157 S158 I160 M198 I203	I114-Y147 CarbonylContact O-C 3.5Å; I114-Y147 WeakPolarHBondContact O-CA 3.48Å; I114-Y147 WeakPolarHBondContact O-CB 3.46Å; Y147-P156 CarbonylContact O-C 3.57Å; Y147-P156 WeakPolarHBondContact O-CA 3.49Å; Y147-P156 VanDerWaalsContact O-CB 3.27Å; Y147-P156 WeakPolarHBondContact O-CB 3.34Å; Y147-L157 HydrophobicContact CD2-CB 3.76Å; Y147-L157 HydrophobicContact CD2-CD1 3.96Å; Y147-L157 HydrophobicContact CD2-CG 4.42Å; Y147-L157 HydrophobicContact CE2-CB 3.4Å; Y147-L157 HydrophobicContact CE2-CD1 3.94Å; Y147-L157 HydrophobicContact CE2-CG 4.32Å; Y147-L157 PolarHBondContact O-N 2.96Å; Y147-S158 WeakPolarHBondContact CD1-O 3.14Å; Y147-S158 VanDerWaalsContact CZ-CB 3.43Å; Y147-S158 PolarHBondContact N-O 3.28Å; Y147-S158 WeakPolarHBondContact OH-CB 3.28Å; Y147-I160 HydrophobicContact CE1-CG1 4.34Å; Y147-M198 HydrophobicContact CD1-CE 3.88Å; Y147-M198 HydrophobicContact CD2-CE 4.18Å; Y147-M198 HydrophobicContact CE1-CE 4.37Å; Y147-M198 HydrophobicContact CG-CE 3.78Å; Y147-I203 HydrophobicContact CE2-CD1 3.86Å; Y147-I203 WeakPolarHBondContact OH-CG2 3.36Å
148	W	92.8	Very high	83.7	Confident	6 Å²	6	51.8 Å²	51.8	2%	0.023	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.6	-174.5	-66.3	-103.3	0	0	0	111.1	F102 L113 I114 C116 V146 L153 P156	F102-W148 AromaticContact CE1-CH2 3.86Å; F102-W148 HydrophobicContact CE1-CH2 3.86Å; F102-W148 HydrophobicContact CE2-CH2 4.37Å; F102-W148 AromaticContact CZ-CH2 3.52Å; F102-W148 HydrophobicContact CZ-CH2 3.52Å; F102-W148 HydrophobicContact CZ-CZ2 4.12Å; L113-W148 WeakPolarHBondContact CA-O 3.5Å; L113-W148 WeakPolarHBondContact CD2-O 3.38Å; I114-W148 HydrophobicContact CG2-CE3 4.41Å; I114-W148 PolarHBondContact N-O 2.87Å; I114-W148 PolarHBondContact O-N 2.7Å; C116-W148 HydrophobicContact CB-CZ3 3.99Å; V146-W148 HydrophobicContact CB-CH2 3.52Å; V146-W148 HydrophobicContact CB-CZ2 4.35Å; V146-W148 HydrophobicContact CB-CZ3 3.73Å; V146-W148 HydrophobicContact CG1-CE3 4.34Å; V146-W148 HydrophobicContact CG1-CH2 3.15Å; V146-W148 HydrophobicContact CG1-CZ2 3.49Å; V146-W148 VanDerWaalsContact CG1-CZ2 3.49Å; V146-W148 HydrophobicContact CG1-CZ3 3.64Å; V146-W148 WeakPolarHBondContact O-CZ3 3.46Å; W148-L153 HydrophobicContact CB-CD2 3.68Å; W148-L153 HydrophobicContact CG-CD2 4.04Å; W148-P156 HydrophobicContact CD2-CB 4Å; W148-P156 HydrophobicContact CG-CB 4.22Å; W148-P156 HydrophobicContact CZ2-CB 3.95Å; W148-P156 HydrophobicContact CZ2-CG 4.28Å; W148-P156 VanDerWaalsContact NE1-CA 3.32Å; W148-P156 VanDerWaalsContact NE1-N 3.14Å
149	D	90.8	Very high	86	Confident	41 Å²	41	48.3 Å²	48.3	22%	0.219	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.6	157.3	-172.7	-55.3	0	0	0	108	S112 R151 N152 L157	S112-D149 WeakPolarHBondContact O-CA 3.31Å; D149-R151 PolarHBondContact O-N 3.32Å; D149-R151 VanDerWaalsContact O-N 3.13Å; D149-R151 WeakPolarHBondContact OD1-CA 3.35Å; D149-R151 WeakPolarHBondContact OD1-CB 3.36Å; D149-R151 WeakPolarHBondContact OD1-CD 3.4Å; D149-R151 WeakPolarHBondContact OD1-CG 3.33Å; D149-R151 PolarHBondContact OD1-N 3.05Å; D149-R151 IonicContact OD1-NE 3.36Å; D149-N152 CarbonylContact O-C 3.59Å; D149-N152 VanDerWaalsContact O-C 3.27Å; D149-N152 PolarHBondContact O-N 3.28Å; D149-L157 HydrophobicContact CB-CD1 4Å; D149-L157 HydrophobicContact CB-CD2 4.2Å; D149-L157 HydrophobicContact CB-CG 4.25Å
150	T	90.8	Very high	87.9	Confident	12 Å²	12	43.2 Å²	43.2	7%	0.074	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.4	-178.5	54.5	0	0	0	0	113.5	I79 I91 I107 G111 S112 I114 N152	I79-T150 HydrophobicContact CD1-CG2 4.07Å; I91-T150 VanDerWaalsContact CD1-O 3.23Å; I91-T150 WeakPolarHBondContact CD1-O 3.4Å; I107-T150 HydrophobicContact CD1-CG2 4.11Å; I107-T150 HydrophobicContact CG1-CG2 4.49Å; G111-T150 VanDerWaalsContact O-CB 3.29Å; G111-T150 WeakPolarHBondContact O-CB 3.43Å; G111-T150 WeakPolarHBondContact O-CG2 3.48Å; G111-T150 PolarHBondContact O-OG1 3.03Å; S112-T150 PolarHBondContact O-N 3.16Å; S112-T150 PolarHBondContact O-OG1 3.36Å; I114-T150 HydrophobicContact CD1-CG2 3.74Å; I114-T150 HydrophobicContact CG1-CG2 3.77Å; T150-N152 VanDerWaalsContact C-N 3.26Å; T150-N152 PolarHBondContact O-N 2.95Å
151	R	89.2	Confident	89.4	Confident	198 Å²	198	46.6 Å²	46.6	75%	0.747	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.2	177.5	-51	165.4	-156.8	170.3	8.3	111.9	D149	D149-R151 PolarHBondContact O-N 3.32Å; D149-R151 VanDerWaalsContact O-N 3.13Å; D149-R151 WeakPolarHBondContact OD1-CA 3.35Å; D149-R151 WeakPolarHBondContact OD1-CB 3.36Å; D149-R151 WeakPolarHBondContact OD1-CD 3.4Å; D149-R151 WeakPolarHBondContact OD1-CG 3.33Å; D149-R151 PolarHBondContact OD1-N 3.05Å; D149-R151 IonicContact OD1-NE 3.36Å
152	N	87.4	Confident	89.9	Confident	81 Å²	81	47 Å²	47	43%	0.433	25%	0.248	S	C	.	.			trans	-143.8	86.4	-178.2	-174.5	11.7	0	0	0	112.7	D149 T150 S154	D149-N152 CarbonylContact O-C 3.59Å; D149-N152 VanDerWaalsContact O-C 3.27Å; D149-N152 PolarHBondContact O-N 3.28Å; T150-N152 VanDerWaalsContact C-N 3.26Å; T150-N152 PolarHBondContact O-N 2.95Å; N152-S154 VanDerWaalsContact C-N 3.26Å; N152-S154 PolarHBondContact O-N 3.19Å; N152-S154 WeakPolarHBondContact OD1-CB 3.27Å; N152-S154 PolarHBondContact OD1-N 2.78Å; N152-S154 VanDerWaalsContact OD1-N 3.17Å; N152-S154 PolarHBondContact OD1-OG 2.83Å
153	L	87.6	Confident	90	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	8.3	174	-56.9	-172.7	0	0	0	114.2	I79 I91 S93 I114 W148 S155	I79-L153 HydrophobicContact CD1-CD1 4.07Å; I79-L153 HydrophobicContact CG1-CD1 4.16Å; I91-L153 HydrophobicContact CB-CD1 4.07Å; I91-L153 HydrophobicContact CG2-CB 4.08Å; I91-L153 HydrophobicContact CG2-CD1 3.65Å; I91-L153 HydrophobicContact CG2-CG 3.72Å; S93-L153 WeakPolarHBondContact CA-O 3.14Å; I114-L153 HydrophobicContact CD1-CD2 4.07Å; W148-L153 HydrophobicContact CB-CD2 3.68Å; W148-L153 HydrophobicContact CG-CD2 4.04Å; L153-S155 VanDerWaalsContact C-N 3.31Å; L153-S155 PolarHBondContact O-N 2.95Å
154	S	85.6	Confident	90	Very high	83 Å²	83	48.9 Å²	48.9	58%	0.58	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-27.7	-178.3	70.3	0	0	0	0	113.1	N152	N152-S154 VanDerWaalsContact C-N 3.26Å; N152-S154 PolarHBondContact O-N 3.19Å; N152-S154 WeakPolarHBondContact OD1-CB 3.27Å; N152-S154 PolarHBondContact OD1-N 2.78Å; N152-S154 VanDerWaalsContact OD1-N 3.17Å; N152-S154 PolarHBondContact OD1-OG 2.83Å
155	S	85.7	Confident	90	Very high	62 Å²	62	51.4 Å²	51.4	43%	0.434	28%	0.278	S	S	.	.	S	Bend	trans	-152.6	141.4	174.6	57	0	0	0	0	109.5	L153	L153-S155 VanDerWaalsContact C-N 3.31Å; L153-S155 PolarHBondContact O-N 2.95Å
156	P	88.9	Confident	90	Very high	17 Å²	17	53.4 Å²	53.4	11%	0.11	29%	0.289	C	S	.	.			trans	-63	155.8	172.8	25.4	-30.6	0	0	0	111.5	F97 V146 Y147 W148	F97-P156 HydrophobicContact CB-CG 4.46Å; F97-P156 HydrophobicContact CD1-CG 3.46Å; F97-P156 VanDerWaalsContact CD1-CG 3.46Å; F97-P156 HydrophobicContact CD2-CG 3.33Å; F97-P156 HydrophobicContact CE1-CB 4.46Å; F97-P156 HydrophobicContact CE1-CG 3.37Å; F97-P156 VanDerWaalsContact CE2-CD 3.45Å; F97-P156 HydrophobicContact CE2-CG 3.19Å; F97-P156 HydrophobicContact CG-CG 3.47Å; F97-P156 VanDerWaalsContact CG-CG 3.47Å; F97-P156 HydrophobicContact CZ-CG 3.23Å; V146-P156 HydrophobicContact CG1-CB 3.6Å; V146-P156 HydrophobicContact CG1-CG 3.95Å; Y147-P156 CarbonylContact O-C 3.57Å; Y147-P156 WeakPolarHBondContact O-CA 3.49Å; Y147-P156 VanDerWaalsContact O-CB 3.27Å; Y147-P156 WeakPolarHBondContact O-CB 3.34Å; W148-P156 HydrophobicContact CD2-CB 4Å; W148-P156 HydrophobicContact CG-CB 4.22Å; W148-P156 HydrophobicContact CZ2-CB 3.95Å; W148-P156 HydrophobicContact CZ2-CG 4.28Å; W148-P156 VanDerWaalsContact NE1-CA 3.32Å; W148-P156 VanDerWaalsContact NE1-N 3.14Å
157	L	89.7	Confident	90	Very high	96 Å²	96	54.1 Å²	54.1	50%	0.503	29%	0.293	S	S	.	.	S	Bend	trans	-70.3	-45.9	174	-69.6	177.5	0	0	0	110.6	L113 Y147 D149	L113-L157 HydrophobicContact CD2-CD1 3.65Å; Y147-L157 HydrophobicContact CD2-CB 3.76Å; Y147-L157 HydrophobicContact CD2-CD1 3.96Å; Y147-L157 HydrophobicContact CD2-CG 4.42Å; Y147-L157 HydrophobicContact CE2-CB 3.4Å; Y147-L157 HydrophobicContact CE2-CD1 3.94Å; Y147-L157 HydrophobicContact CE2-CG 4.32Å; Y147-L157 PolarHBondContact O-N 2.96Å; D149-L157 HydrophobicContact CB-CD1 4Å; D149-L157 HydrophobicContact CB-CD2 4.2Å; D149-L157 HydrophobicContact CB-CG 4.25Å
158	S	89.2	Confident	90.1	Very high	55 Å²	55	53.8 Å²	53.8	39%	0.385	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	-174	171.9	-155	0	0	0	0	111.4	Y147	Y147-S158 WeakPolarHBondContact CD1-O 3.14Å; Y147-S158 VanDerWaalsContact CZ-CB 3.43Å; Y147-S158 PolarHBondContact N-O 3.28Å; Y147-S158 WeakPolarHBondContact OH-CB 3.28Å
159	T	89.6	Confident	90.1	Very high	43 Å²	43	54.5 Å²	54.5	26%	0.264	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	141.8	172.1	56.8	0	0	0	0	110.6	F97 L145 V146	F97-T159 HydrophobicContact CE1-CG2 3.71Å; F97-T159 HydrophobicContact CZ-CG2 4.36Å; L145-T159 CarbonylContact O-C 3.56Å; L145-T159 WeakPolarHBondContact O-CA 3.26Å; V146-T159 HydrophobicContact CB-CG2 4.43Å; V146-T159 HydrophobicContact CG1-CG2 4.1Å; V146-T159 HydrophobicContact CG2-CG2 4.02Å
160	I	91.5	Very high	90.3	Very high	22 Å²	22	52.6 Å²	52.6	11%	0.113	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.7	165.6	-52.4	172.5	0	0	0	106.9	Q144 L145 Y147 L163 Y196 M198	Q144-I160 CarbonylContact C-O 3.58Å; Q144-I160 VanDerWaalsContact CA-O 3.32Å; Q144-I160 WeakPolarHBondContact CA-O 3.48Å; L145-I160 HydrophobicContact CB-CB 4.18Å; L145-I160 HydrophobicContact CD1-CD1 4.33Å; L145-I160 PolarHBondContact N-O 2.87Å; L145-I160 PolarHBondContact O-N 2.89Å; Y147-I160 HydrophobicContact CE1-CG1 4.34Å; I160-L163 HydrophobicContact CG2-CD1 3.63Å; I160-L163 HydrophobicContact CG2-CG 4.48Å; I160-Y196 HydrophobicContact CD1-CD1 3.88Å; I160-Y196 HydrophobicContact CD1-CE1 4.06Å; I160-Y196 HydrophobicContact CD1-CG 4.43Å; I160-Y196 HydrophobicContact CG2-CE1 4.05Å; I160-M198 HydrophobicContact CD1-SD 4.28Å
161	K	89.2	Confident	90.5	Very high	110 Å²	110	52 Å²	52	48%	0.478	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	177.5	-173.8	58.8	168.9	-173.8	169.3	0	110.2	Q144 L163	Q144-K161 HydrophobicContact CG-CB 4.04Å; K161-L163 PolarHBondContact O-N 2.92Å
162	D	86.2	Confident	90.7	Very high	93 Å²	93	43.1 Å²	43.1	50%	0.497	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	66.1	13.7	173.6	-54.1	-45.7	0	0	0	115.9
163	L	91	Very high	91	Very high	53 Å²	53	39.9 Å²	39.9	28%	0.277	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-33.6	176.6	-64.4	175.5	0	0	0	113.7	I160 K161 Y196 L209	I160-L163 HydrophobicContact CG2-CD1 3.63Å; I160-L163 HydrophobicContact CG2-CG 4.48Å; K161-L163 PolarHBondContact O-N 2.92Å; L163-Y196 HydrophobicContact CD1-CE1 3.41Å; L163-Y196 VanDerWaalsContact CD1-CE1 3.41Å; L163-Y196 VanDerWaalsContact CD1-OH 3.23Å; L163-Y196 WeakPolarHBondContact CD1-OH 3.47Å; L163-L209 HydrophobicContact CD1-CD1 4.34Å; L163-L209 HydrophobicContact CD2-CD2 3.96Å
164	H	93.2	Very high	91	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.023	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.5	-176.3	-70.9	-61.6	0	0	0	112.4	T142 A143 I168 D186 S188 D190 V192	T142-H164 WeakPolarHBondContact CA-O 3.24Å; T142-H164 VanDerWaalsContact CB-O 3.24Å; T142-H164 WeakPolarHBondContact CB-O 3.18Å; A143-H164 HydrophobicContact CB-CB 4.18Å; A143-H164 PolarHBondContact N-O 3.12Å; H164-I168 HydrophobicContact CB-CG1 4.28Å; H164-D186 IonicContact CD2-OD2 2.69Å; H164-D186 PolarHBondContact CD2-OD2 2.83Å; H164-D186 IonicContact NE2-OD1 2.82Å; H164-D186 PolarHBondContact NE2-OD1 3.15Å; H164-D186 IonicContact NE2-OD2 2.96Å; H164-D186 PolarHBondContact NE2-OD2 2.97Å; H164-D186 VanDerWaalsContact NE2-OD2 3.12Å; H164-S188 VanDerWaalsContact CG-CB 3.49Å; H164-S188 WeakPolarHBondContact ND1-CB 3.32Å; H164-D190 VanDerWaalsContact CA-OD2 3.3Å; H164-D190 WeakPolarHBondContact CA-OD2 3.26Å; H164-D190 IonicContact CG-OD2 3.54Å; H164-D190 IonicContact ND1-OD1 3.69Å; H164-D190 PolarHBondContact ND1-OD1 2.81Å; H164-D190 IonicContact ND1-OD2 3.23Å; H164-D190 PolarHBondContact ND1-OD2 3.23Å; H164-V192 PolarHBondContact CE1-O 2.69Å
165	S	91.7	Very high	91	Very high	87 Å²	87	38.2 Å²	38.2	61%	0.608	22%	0.219	S	C	*	.	S	Bend	trans	-91.6	-12.1	179.1	63.3	0	0	0	0	113.6	D190	S165-D190 PolarHBondContact N-OD2 3.48Å; S165-D190 WeakPolarHBondContact OG-CB 3.31Å; S165-D190 PolarHBondContact OG-OD2 2.96Å
166	D	93.5	Very high	90.8	Very high	43 Å²	43	36.5 Å²	36.5	23%	0.23	21%	0.206	C	C	.	.	S	Bend	trans	-130.8	175.4	172.8	-139.7	-19.9	0	0	0	111.6	R122 A143 I168 S188 E189 D190	R122-D166 IonicContact NH2-OD1 3.71Å; R122-D166 PolarHBondContact NH2-OD1 3.27Å; A143-D166 VanDerWaalsContact CB-O 3.25Å; A143-D166 WeakPolarHBondContact CB-O 3.31Å; D166-I168 PolarHBondContact O-N 2.84Å; D166-S188 PolarHBondContact O-OG 3.39Å; D166-E189 HydrophobicContact CB-CB 3.94Å; D166-D190 HydrophobicContact CB-CB 4.03Å
167	D	94	Very high	90.6	Very high	16 Å²	16	36.6 Å²	36.6	9%	0.086	21%	0.207	C	C	.	.			trans	-56.7	134.8	-173.2	-61.7	-9.8	0	0	0	111	E119 V120 R122 V169 S188 E189	E119-D167 WeakPolarHBondContact CA-OD1 3.41Å; V120-D167 PolarHBondContact N-OD1 2.76Å; R122-D167 IonicContact NH1-OD1 2.96Å; D167-V169 PolarHBondContact O-N 3.12Å; D167-S188 VanDerWaalsContact O-CA 3.26Å; D167-S188 WeakPolarHBondContact O-CA 3.27Å; D167-S188 WeakPolarHBondContact O-CB 3.28Å; D167-S188 PolarHBondContact O-OG 2.84Å; D167-S188 VanDerWaalsContact O-OG 3.06Å; D167-E189 PolarHBondContact O-N 3.1Å
168	I	95.3	Very high	90	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.4	170.1	-66.9	164.2	0	0	0	106.9	T103 T118 A143 Q144 L145 H164 D166 V171 D186	T103-I168 WeakPolarHBondContact CB-O 3.31Å; T103-I168 PolarHBondContact OG1-O 3.34Å; T118-I168 PolarHBondContact O-N 3.19Å; T118-I168 VanDerWaalsContact O-N 3.1Å; A143-I168 HydrophobicContact CB-CD1 3.98Å; A143-I168 HydrophobicContact CB-CG1 3.77Å; Q144-I168 WeakPolarHBondContact O-CD1 3.25Å; L145-I168 HydrophobicContact CD2-CD1 3.85Å; L145-I168 HydrophobicContact CD2-CG2 4.39Å; L145-I168 HydrophobicContact CG-CD1 3.96Å; H164-I168 HydrophobicContact CB-CG1 4.28Å; D166-I168 PolarHBondContact O-N 2.84Å; I168-V171 HydrophobicContact CG2-CG2 3.82Å; I168-D186 HydrophobicContact CG2-CB 4.22Å
169	V	92.8	Very high	89.3	Confident	22 Å²	22	38.6 Å²	38.6	13%	0.133	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-23	-174.1	-64.5	0	0	0	0	113.6	C104 D167 C187 E189 A219	C104-V169 WeakPolarHBondContact CB-O 3.38Å; D167-V169 PolarHBondContact O-N 3.12Å; V169-C187 WeakPolarHBondContact CG2-O 3.2Å; V169-C187 VanDerWaalsContact CG2-SG 3.58Å; V169-C187 PolarHBondContact N-O 3.16Å; V169-E189 HydrophobicContact CG1-CG 3.3Å; V169-A219 WeakPolarHBondContact CG2-O 3.49Å
170	D	93.5	Very high	88.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	148.7	-178.7	-160.2	8.3	0	0	0	110.5	C104 K172 D186 C187 S221 C222	C104-D170 VanDerWaalsContact SG-CA 3.55Å; C104-D170 PolarHBondContact SG-N 2.86Å; D170-K172 WeakPolarHBondContact OD1-CE 3.46Å; D170-K172 IonicContact OD1-NZ 3.3Å; D170-D186 CarbonylContact O-C 3.54Å; D170-D186 VanDerWaalsContact O-CA 3.28Å; D170-D186 WeakPolarHBondContact O-CA 3.26Å; D170-C187 PolarHBondContact N-O 3.1Å; D170-C187 PolarHBondContact O-N 3.12Å; D170-S221 VanDerWaalsContact OD2-CA 3.26Å; D170-S221 WeakPolarHBondContact OD2-CA 3.26Å; D170-S221 VanDerWaalsContact OD2-CB 3.29Å; D170-S221 WeakPolarHBondContact OD2-CB 3.29Å; D170-C222 PolarHBondContact OD2-N 3.19Å
171	V	95.4	Very high	88.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	132.8	179.5	174	0	0	0	0	107.4	S106 C115 L145 I168 L184 M185 D186	S106-V171 VanDerWaalsContact CB-O 3.28Å; S106-V171 WeakPolarHBondContact CB-O 3.37Å; C115-V171 HydrophobicContact CB-CG1 4.1Å; L145-V171 HydrophobicContact CD2-CG2 3.53Å; I168-V171 HydrophobicContact CG2-CG2 3.82Å; V171-L184 HydrophobicContact CG1-CD1 3.38Å; V171-L184 HydrophobicContact CG1-CD2 4.05Å; V171-L184 HydrophobicContact CG1-CG 3.94Å; V171-M185 CarbonylContact C-O 3.56Å; V171-M185 VanDerWaalsContact CA-O 3.3Å; V171-M185 WeakPolarHBondContact CA-O 3.49Å; V171-D186 HydrophobicContact CG2-CB 3.87Å
172	K	93.2	Very high	88.3	Confident	12 Å²	12	35.1 Å²	35.1	5%	0.052	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	120.4	179.6	-64.3	-64.1	147.4	-161.4	0	112.4	Y7 D170 M185 C222 W224	Y7-K172 VanDerWaalsContact CB-CE 3.48Å; Y7-K172 HydrophobicContact CD2-CD 4.38Å; Y7-K172 HydrophobicContact CG-CD 4.45Å; D170-K172 WeakPolarHBondContact OD1-CE 3.46Å; D170-K172 IonicContact OD1-NZ 3.3Å; K172-M185 PolarHBondContact N-O 3.03Å; K172-M185 PolarHBondContact O-N 3.13Å; K172-C222 WeakPolarHBondContact CG-O 3.28Å; K172-W224 PolarHBondContact O-NE1 3.37Å
173	F	93.4	Very high	88.6	Confident	12 Å²	12	31 Å²	31	5%	0.053	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	144.9	165.5	-81	-79.5	0	0	0	110.6	S106 I107 S108 L113 C115 P175 R183 L184 M198 W224	S106-F173 WeakPolarHBondContact O-CE2 3.38Å; S106-F173 WeakPolarHBondContact OG-CD2 3.38Å; S106-F173 PolarHBondContact OG-N 3.31Å; I107-F173 VanDerWaalsContact C-CD2 3.4Å; S108-F173 VanDerWaalsContact N-CD2 3.26Å; L113-F173 HydrophobicContact CB-CE1 4.31Å; L113-F173 HydrophobicContact CB-CZ 3.85Å; C115-F173 HydrophobicContact CB-CE2 3.9Å; C115-F173 HydrophobicContact CB-CZ 4.03Å; F173-P175 VanDerWaalsContact O-CD 3.31Å; F173-P175 WeakPolarHBondContact O-CD 3.32Å; F173-R183 WeakPolarHBondContact CA-O 3.37Å; F173-R183 WeakPolarHBondContact CD1-O 3.45Å; F173-L184 HydrophobicContact CB-CD1 4.5Å; F173-L184 HydrophobicContact CD1-CB 4.34Å; F173-L184 HydrophobicContact CD1-CD1 3.83Å; F173-L184 HydrophobicContact CD2-CD1 3.73Å; F173-L184 HydrophobicContact CE1-CB 4.29Å; F173-L184 HydrophobicContact CE1-CD1 3.88Å; F173-L184 HydrophobicContact CE2-CD1 3.78Å; F173-L184 HydrophobicContact CG-CD1 3.76Å; F173-L184 HydrophobicContact CZ-CD1 3.85Å; F173-M198 HydrophobicContact CE1-CB 4.43Å; F173-M198 HydrophobicContact CE1-CG 4.16Å; F173-W224 PolarHBondContact O-NE1 3.34Å
174	D	89.1	Confident	88.7	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	18%	0.184	C	C	.	.			trans	-69.3	115.8	170.8	169.7	17.8	0	0	0	109.5	T176 S177 R183 W224	D174-T176 VanDerWaalsContact CG-OG1 3.28Å; D174-T176 PolarHBondContact O-N 3.32Å; D174-T176 VanDerWaalsContact O-N 3.17Å; D174-T176 WeakPolarHBondContact OD1-CA 3.48Å; D174-T176 WeakPolarHBondContact OD1-CB 3.43Å; D174-T176 PolarHBondContact OD1-N 3.33Å; D174-T176 PolarHBondContact OD1-OG1 3.37Å; D174-T176 PolarHBondContact OD2-OG1 2.82Å; D174-T176 VanDerWaalsContact OD2-OG1 3.13Å; D174-S177 WeakPolarHBondContact CB-OG 3.27Å; D174-S177 VanDerWaalsContact O-CB 3.27Å; D174-S177 WeakPolarHBondContact O-CB 3.47Å; D174-S177 PolarHBondContact O-N 3.29Å; D174-S177 VanDerWaalsContact O-N 3.08Å; D174-S177 PolarHBondContact O-OG 2.84Å; D174-S177 PolarHBondContact OD2-N 3.12Å; D174-R183 HydrophobicContact CB-CB 3.89Å; D174-R183 PolarHBondContact N-O 3.35Å; D174-R183 IonicContact OD2-CZ 3.56Å; D174-R183 IonicContact OD2-NE 3.12Å; D174-R183 PolarHBondContact OD2-NE 2.75Å; D174-R183 IonicContact OD2-NH2 3.44Å; D174-R183 PolarHBondContact OD2-NH2 3.3Å; D174-W224 VanDerWaalsContact CA-CE2 3.5Å; D174-W224 HydrophobicContact CB-CD2 3.85Å; D174-W224 HydrophobicContact CB-CE3 4.04Å; D174-W224 HydrophobicContact CB-CH2 3.64Å; D174-W224 HydrophobicContact CB-CZ2 3.5Å; D174-W224 VanDerWaalsContact CB-CZ2 3.5Å; D174-W224 HydrophobicContact CB-CZ3 3.93Å
175	P	84.1	Confident	88.8	Confident	52 Å²	52	28.3 Å²	28.3	34%	0.338	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.8	-178.8	30.3	-35.7	0	0	0	113.1	F173 I226	F173-P175 VanDerWaalsContact O-CD 3.31Å; F173-P175 WeakPolarHBondContact O-CD 3.32Å; P175-I226 HydrophobicContact CB-CD1 4.47Å; P175-I226 HydrophobicContact CG-CD1 3.32Å; P175-I226 HydrophobicContact CG-CG1 4.25Å
176	T	81.9	Confident	89	Confident	27 Å²	27	24.1 Å²	24.1	17%	0.166	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	0.3	176	72.1	0	0	0	0	113.1	D174 V178 I226 P235 A237	D174-T176 VanDerWaalsContact CG-OG1 3.28Å; D174-T176 PolarHBondContact O-N 3.32Å; D174-T176 VanDerWaalsContact O-N 3.17Å; D174-T176 WeakPolarHBondContact OD1-CA 3.48Å; D174-T176 WeakPolarHBondContact OD1-CB 3.43Å; D174-T176 PolarHBondContact OD1-N 3.33Å; D174-T176 PolarHBondContact OD1-OG1 3.37Å; D174-T176 PolarHBondContact OD2-OG1 2.82Å; D174-T176 VanDerWaalsContact OD2-OG1 3.13Å; T176-V178 PolarHBondContact O-N 2.81Å; T176-I226 HydrophobicContact CG2-CD1 4.45Å; T176-I226 HydrophobicContact CG2-CG1 4.2Å; T176-I226 HydrophobicContact CG2-CG2 3.85Å; T176-P235 WeakPolarHBondContact CB-O 3.44Å; T176-P235 HydrophobicContact CG2-CB 4.03Å; T176-P235 HydrophobicContact CG2-CG 4.47Å; T176-P235 WeakPolarHBondContact CG2-O 3.39Å; T176-A237 PolarHBondContact OG1-N 3.36Å
177	S	84.1	Confident	89	Confident	19 Å²	19	22.1 Å²	22.1	13%	0.133	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-55.9	137.5	174.9	-65	0	0	0	0	111	D174 Y181 R183	D174-S177 WeakPolarHBondContact CB-OG 3.27Å; D174-S177 VanDerWaalsContact O-CB 3.27Å; D174-S177 WeakPolarHBondContact O-CB 3.47Å; D174-S177 PolarHBondContact O-N 3.29Å; D174-S177 VanDerWaalsContact O-N 3.08Å; D174-S177 PolarHBondContact O-OG 2.84Å; D174-S177 PolarHBondContact OD2-N 3.12Å; S177-Y181 WeakPolarHBondContact CB-O 3.16Å; S177-R183 PolarHBondContact OG-N 3.28Å
178	V	78.1	Confident	89	Confident	85 Å²	85	21.3 Å²	21.3	52%	0.515	14%	0.139	S	C	.	.	B	Isolated β-bridge	trans	-90.9	152.8	173.3	-65.3	0	0	0	0	110	T176 G180 Y181	T176-V178 PolarHBondContact O-N 2.81Å; V178-G180 PolarHBondContact O-N 3.44Å; V178-Y181 CarbonylContact O-C 3.58Å; V178-Y181 PolarHBondContact O-N 2.99Å
179	P	74.1	Confident	88.9	Confident	108 Å²	108	23.9 Å²	23.9	70%	0.701	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	125.3	174.4	-26.7	35.1	0	0	0	111.3
180	G	75.6	Confident	88.9	Confident	60 Å²	60	24.9 Å²	24.9	62%	0.619	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.4	6.9	-176.2	0	0	0	0	0	115.6	V178 N199	V178-G180 PolarHBondContact O-N 3.44Å; G180-N199 PolarHBondContact O-ND2 2.82Å; G180-N199 PolarHBondContact O-OD1 2.7Å
181	Y	84	Confident	88.8	Confident	30 Å²	30	24.9 Å²	24.9	12%	0.118	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-141.3	77	164	-169.1	-103.6	0	0	0	109.7	S177 V178 R183 D197 N199 H261	S177-Y181 WeakPolarHBondContact CB-O 3.16Å; V178-Y181 CarbonylContact O-C 3.58Å; V178-Y181 PolarHBondContact O-N 2.99Å; Y181-R183 HydrophobicContact CD1-CG 4.29Å; Y181-R183 HydrophobicContact CE1-CG 3.84Å; Y181-D197 WeakPolarHBondContact CE2-OD2 3.11Å; Y181-N199 WeakPolarHBondContact CA-ND2 3.49Å; Y181-N199 WeakPolarHBondContact CA-OD1 3.32Å; Y181-N199 VanDerWaalsContact CD2-ND2 3.29Å; Y181-N199 WeakPolarHBondContact CD2-ND2 3.32Å; Y181-N199 PolarHBondContact N-OD1 2.83Å; Y181-H261 HydrophobicContact CD1-CB 4.16Å; Y181-H261 AromaticContact CD2-ND1 3.64Å; Y181-H261 HydrophobicContact CE1-CB 4.04Å; Y181-H261 AromaticContact CE2-ND1 3.45Å; Y181-H261 WeakPolarHBondContact CE2-ND1 3.32Å; Y181-H261 HydrophobicContact CG-CB 4.48Å; Y181-H261 AromaticContact CZ-ND1 3.83Å
182	L	90.2	Very high	88.7	Confident	11 Å²	11	26 Å²	26	6%	0.058	16%	0.163	C	C	.	.			trans	-90.5	126.5	-177.8	-65.5	175.6	0	0	0	110.2	S112 L113 M198 N199	S112-L182 WeakPolarHBondContact OG-CD1 3.3Å; L113-L182 HydrophobicContact CB-CD1 4.33Å; L113-L182 HydrophobicContact CD1-CD1 3.58Å; L113-L182 HydrophobicContact CG-CD1 3.95Å; L182-M198 HydrophobicContact CB-CB 4.07Å; L182-M198 WeakPolarHBondContact O-CA 3.49Å; L182-M198 WeakPolarHBondContact O-CB 3.12Å; L182-M198 PolarHBondContact O-N 2.66Å; L182-N199 PolarHBondContact N-OD1 2.9Å
183	R	91.3	Very high	88.6	Confident	8 Å²	8	25.5 Å²	25.5	3%	0.03	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.7	173.4	-62.8	-176.2	-68.4	-179	-3.4	111.5	F173 D174 S177 Y181 Y196 W224	F173-R183 WeakPolarHBondContact CA-O 3.37Å; F173-R183 WeakPolarHBondContact CD1-O 3.45Å; D174-R183 HydrophobicContact CB-CB 3.89Å; D174-R183 PolarHBondContact N-O 3.35Å; D174-R183 IonicContact OD2-CZ 3.56Å; D174-R183 IonicContact OD2-NE 3.12Å; D174-R183 PolarHBondContact OD2-NE 2.75Å; D174-R183 IonicContact OD2-NH2 3.44Å; D174-R183 PolarHBondContact OD2-NH2 3.3Å; S177-R183 PolarHBondContact OG-N 3.28Å; Y181-R183 HydrophobicContact CD1-CG 4.29Å; Y181-R183 HydrophobicContact CE1-CG 3.84Å; R183-Y196 VanDerWaalsContact CA-O 3.28Å; R183-Y196 WeakPolarHBondContact CA-O 3.4Å; R183-W224 HydrophobicContact CB-CH2 3.88Å; R183-W224 HydrophobicContact CB-CZ2 4.3Å
184	L	94.6	Very high	88.7	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.3	178.6	-175.1	74.7	0	0	0	109.4	C115 L145 V171 F173 L195 Y196 M198	C115-L184 HydrophobicContact CB-CD1 4.11Å; C115-L184 HydrophobicContact CB-CD2 3.84Å; C115-L184 WeakPolarHBondContact SG-CD2 3.28Å; L145-L184 HydrophobicContact CD1-CD2 4.05Å; V171-L184 HydrophobicContact CG1-CD1 3.38Å; V171-L184 HydrophobicContact CG1-CD2 4.05Å; V171-L184 HydrophobicContact CG1-CG 3.94Å; F173-L184 HydrophobicContact CB-CD1 4.5Å; F173-L184 HydrophobicContact CD1-CB 4.34Å; F173-L184 HydrophobicContact CD1-CD1 3.83Å; F173-L184 HydrophobicContact CD2-CD1 3.73Å; F173-L184 HydrophobicContact CE1-CB 4.29Å; F173-L184 HydrophobicContact CE1-CD1 3.88Å; F173-L184 HydrophobicContact CE2-CD1 3.78Å; F173-L184 HydrophobicContact CG-CD1 3.76Å; F173-L184 HydrophobicContact CZ-CD1 3.85Å; L184-L195 CarbonylContact O-C 3.54Å; L184-L195 WeakPolarHBondContact O-CA 3.26Å; L184-L195 WeakPolarHBondContact O-CD1 3.13Å; L184-Y196 HydrophobicContact CB-CD2 4.32Å; L184-Y196 HydrophobicContact CD2-CD2 4.28Å; L184-Y196 HydrophobicContact CG-CD2 4.44Å; L184-Y196 PolarHBondContact N-O 2.91Å; L184-Y196 PolarHBondContact O-N 2.8Å; L184-M198 HydrophobicContact CB-CG 3.45Å; L184-M198 VanDerWaalsContact CB-CG 3.45Å; L184-M198 HydrophobicContact CB-SD 4.01Å; L184-M198 HydrophobicContact CD2-CE 4.09Å; L184-M198 HydrophobicContact CD2-CG 4.28Å; L184-M198 HydrophobicContact CD2-SD 3.86Å; L184-M198 HydrophobicContact CG-CG 4.46Å
185	M	94	Very high	88.9	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.4	166.4	-177.1	171.6	52.6	0	0	109.6	V171 K172 I193 C194 L195 C222 G223 W224 V240	V171-M185 CarbonylContact C-O 3.56Å; V171-M185 VanDerWaalsContact CA-O 3.3Å; V171-M185 WeakPolarHBondContact CA-O 3.49Å; K172-M185 PolarHBondContact N-O 3.03Å; K172-M185 PolarHBondContact O-N 3.13Å; M185-I193 HydrophobicContact CG-CG2 3.58Å; M185-I193 HydrophobicContact SD-CG2 3.48Å; M185-I193 WeakPolarHBondContact SD-CG2 3.44Å; M185-C194 VanDerWaalsContact CA-O 3.27Å; M185-C194 WeakPolarHBondContact CA-O 3.5Å; M185-C194 WeakPolarHBondContact CG-O 3.29Å; M185-L195 HydrophobicContact CB-CD1 3.89Å; M185-L195 HydrophobicContact CG-CD1 4.38Å; M185-C222 HydrophobicContact CE-CB 3.54Å; M185-C222 HydrophobicContact CG-CB 4.32Å; M185-C222 HydrophobicContact SD-CB 4.04Å; M185-G223 VanDerWaalsContact CE-C 3.43Å; M185-G223 VanDerWaalsContact CE-O 3.25Å; M185-G223 WeakPolarHBondContact CE-O 3.49Å; M185-W224 HydrophobicContact CB-CZ2 3.9Å; M185-V240 HydrophobicContact CE-CB 4.13Å; M185-V240 HydrophobicContact CE-CG1 3.9Å; M185-V240 HydrophobicContact SD-CB 3.63Å; M185-V240 HydrophobicContact SD-CG1 3.53Å; M185-V240 VanDerWaalsContact SD-CG1 3.53Å; M185-V240 HydrophobicContact SD-CG2 4.3Å
186	D	95.7	Very high	89.3	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	164.9	166.2	69	-10.7	0	0	0	111.1	L145 H164 I168 D170 V171 I193 C194 Y196	L145-D186 HydrophobicContact CD1-CB 4.33Å; L145-D186 VanDerWaalsContact CD1-OD2 3.31Å; L145-D186 WeakPolarHBondContact CD1-OD2 3.38Å; L145-D186 HydrophobicContact CD2-CB 4Å; H164-D186 IonicContact CD2-OD2 2.69Å; H164-D186 PolarHBondContact CD2-OD2 2.83Å; H164-D186 IonicContact NE2-OD1 2.82Å; H164-D186 PolarHBondContact NE2-OD1 3.15Å; H164-D186 IonicContact NE2-OD2 2.96Å; H164-D186 PolarHBondContact NE2-OD2 2.97Å; H164-D186 VanDerWaalsContact NE2-OD2 3.12Å; I168-D186 HydrophobicContact CG2-CB 4.22Å; D170-D186 CarbonylContact O-C 3.54Å; D170-D186 VanDerWaalsContact O-CA 3.28Å; D170-D186 WeakPolarHBondContact O-CA 3.26Å; V171-D186 HydrophobicContact CG2-CB 3.87Å; D186-I193 VanDerWaalsContact O-CA 3.27Å; D186-I193 WeakPolarHBondContact O-CA 3.49Å; D186-I193 WeakPolarHBondContact O-CG2 3.27Å; D186-C194 PolarHBondContact N-O 3.3Å; D186-C194 PolarHBondContact O-N 2.77Å; D186-C194 VanDerWaalsContact O-N 3.16Å; D186-C194 WeakPolarHBondContact OD1-CA 3.31Å; D186-C194 WeakPolarHBondContact OD1-CB 3Å; D186-C194 PolarHBondContact OD1-N 3.05Å; D186-C194 VanDerWaalsContact OD1-N 3.12Å; D186-Y196 HydrophobicContact CB-CE2 4.28Å; D186-Y196 VanDerWaalsContact CG-CE2 3.48Å; D186-Y196 VanDerWaalsContact OD1-CE2 3.26Å; D186-Y196 WeakPolarHBondContact OD1-CE2 3.25Å; D186-Y196 PolarHBondContact OD1-OH 3.45Å; D186-Y196 PolarHBondContact OD2-OH 3.08Å
187	C	94.1	Very high	89.8	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.3	165	68.5	0	0	0	0	111.6	V169 D170 V192 I193 A219 S221 C222	V169-C187 WeakPolarHBondContact CG2-O 3.2Å; V169-C187 VanDerWaalsContact CG2-SG 3.58Å; V169-C187 PolarHBondContact N-O 3.16Å; D170-C187 PolarHBondContact N-O 3.1Å; D170-C187 PolarHBondContact O-N 3.12Å; C187-V192 WeakPolarHBondContact CA-O 3.44Å; C187-I193 HydrophobicContact CB-CB 4.37Å; C187-I193 HydrophobicContact CB-CG1 3.68Å; C187-A219 HydrophobicContact CB-CB 3.8Å; C187-S221 VanDerWaalsContact SG-C 3.53Å; C187-C222 HydrophobicContact CB-CB 4.06Å
188	S	94.4	Very high	90.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	160.1	-176.4	167	0	0	0	0	112.4	H164 D166 D167 D190 G191 V192 A219	H164-S188 VanDerWaalsContact CG-CB 3.49Å; H164-S188 WeakPolarHBondContact ND1-CB 3.32Å; D166-S188 PolarHBondContact O-OG 3.39Å; D167-S188 VanDerWaalsContact O-CA 3.26Å; D167-S188 WeakPolarHBondContact O-CA 3.27Å; D167-S188 WeakPolarHBondContact O-CB 3.28Å; D167-S188 PolarHBondContact O-OG 2.84Å; D167-S188 VanDerWaalsContact O-OG 3.06Å; S188-D190 WeakPolarHBondContact CB-OD1 3.45Å; S188-D190 PolarHBondContact O-N 3.21Å; S188-D190 VanDerWaalsContact O-N 3.1Å; S188-D190 VanDerWaalsContact OG-CG 3.27Å; S188-D190 PolarHBondContact OG-N 2.97Å; S188-D190 PolarHBondContact OG-OD1 2.97Å; S188-G191 PolarHBondContact O-N 2.62Å; S188-V192 PolarHBondContact N-O 3.48Å; S188-V192 VanDerWaalsContact N-O 3.1Å; S188-A219 WeakPolarHBondContact O-CB 3.25Å; S188-A219 PolarHBondContact O-N 2.98Å
189	E	93.2	Very high	90.5	Very high	55 Å²	55	19 Å²	19	26%	0.257	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-16.7	171.6	-61.6	-167.5	170.1	0	0	112.5	K11 D166 D167 V169 G191 V218	K11-E189 IonicContact NZ-OE1 3Å; K11-E189 PolarHBondContact NZ-OE1 3.06Å; D166-E189 HydrophobicContact CB-CB 3.94Å; D167-E189 PolarHBondContact O-N 3.1Å; V169-E189 HydrophobicContact CG1-CG 3.3Å; E189-G191 PolarHBondContact O-N 3.43Å; E189-V218 HydrophobicContact CB-CG1 3.9Å; E189-V218 HydrophobicContact CG-CG1 4.16Å; E189-V218 WeakPolarHBondContact O-CA 3.41Å; E189-V218 WeakPolarHBondContact O-CG2 3.42Å
190	D	92.9	Very high	90.5	Very high	42 Å²	42	17.7 Å²	17.7	23%	0.225	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.7	172.3	67.6	12.8	0	0	0	114.5	H164 S165 D166 S188 V192	H164-D190 VanDerWaalsContact CA-OD2 3.3Å; H164-D190 WeakPolarHBondContact CA-OD2 3.26Å; H164-D190 IonicContact CG-OD2 3.54Å; H164-D190 IonicContact ND1-OD1 3.69Å; H164-D190 PolarHBondContact ND1-OD1 2.81Å; H164-D190 IonicContact ND1-OD2 3.23Å; H164-D190 PolarHBondContact ND1-OD2 3.23Å; S165-D190 PolarHBondContact N-OD2 3.48Å; S165-D190 WeakPolarHBondContact OG-CB 3.31Å; S165-D190 PolarHBondContact OG-OD2 2.96Å; D166-D190 HydrophobicContact CB-CB 4.03Å; S188-D190 WeakPolarHBondContact CB-OD1 3.45Å; S188-D190 PolarHBondContact O-N 3.21Å; S188-D190 VanDerWaalsContact O-N 3.1Å; S188-D190 VanDerWaalsContact OG-CG 3.27Å; S188-D190 PolarHBondContact OG-N 2.97Å; S188-D190 PolarHBondContact OG-OD1 2.97Å; D190-V192 VanDerWaalsContact C-N 3.31Å; D190-V192 VanDerWaalsContact OD1-CB 3.23Å; D190-V192 WeakPolarHBondContact OD1-CB 3.39Å; D190-V192 WeakPolarHBondContact OD1-CG2 3.37Å; D190-V192 PolarHBondContact OD1-N 3.13Å
191	G	90.4	Very high	90.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	79.1	13.8	179.6	0	0	0	0	0	113.9	S188 E189 N214 S215 S217	S188-G191 PolarHBondContact O-N 2.62Å; E189-G191 PolarHBondContact O-N 3.43Å; G191-N214 CarbonylContact O-C 3.56Å; G191-N214 WeakPolarHBondContact O-CA 3.38Å; G191-S215 WeakPolarHBondContact CA-OG 3.3Å; G191-S215 PolarHBondContact O-N 3.23Å; G191-S215 PolarHBondContact O-OG 3.08Å; G191-S217 WeakPolarHBondContact CA-O 3.47Å
192	V	93.7	Very high	90	Very high	25 Å²	25	21.2 Å²	21.2	15%	0.152	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	140.6	172.5	-176	0	0	0	0	109.4	H164 C187 S188 D190 M212 F213	H164-V192 PolarHBondContact CE1-O 2.69Å; C187-V192 WeakPolarHBondContact CA-O 3.44Å; S188-V192 PolarHBondContact N-O 3.48Å; S188-V192 VanDerWaalsContact N-O 3.1Å; D190-V192 VanDerWaalsContact C-N 3.31Å; D190-V192 VanDerWaalsContact OD1-CB 3.23Å; D190-V192 WeakPolarHBondContact OD1-CB 3.39Å; D190-V192 WeakPolarHBondContact OD1-CG2 3.37Å; D190-V192 PolarHBondContact OD1-N 3.13Å; V192-M212 HydrophobicContact CG1-CG 3.36Å; V192-M212 HydrophobicContact CG1-SD 3.62Å; V192-F213 WeakPolarHBondContact CA-O 3.48Å
193	I	92.7	Very high	89.4	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.4	173.4	-57.7	94.7	0	0	0	106.9	M185 D186 C187 M212 F213 C242 W253	M185-I193 HydrophobicContact CG-CG2 3.58Å; M185-I193 HydrophobicContact SD-CG2 3.48Å; M185-I193 WeakPolarHBondContact SD-CG2 3.44Å; D186-I193 VanDerWaalsContact O-CA 3.27Å; D186-I193 WeakPolarHBondContact O-CA 3.49Å; D186-I193 WeakPolarHBondContact O-CG2 3.27Å; C187-I193 HydrophobicContact CB-CB 4.37Å; C187-I193 HydrophobicContact CB-CG1 3.68Å; I193-M212 CarbonylContact O-C 3.53Å; I193-M212 WeakPolarHBondContact O-CA 3.13Å; I193-F213 HydrophobicContact CB-CB 4.2Å; I193-F213 HydrophobicContact CB-CD2 4.31Å; I193-F213 HydrophobicContact CD1-CB 4.41Å; I193-F213 HydrophobicContact CG2-CD2 4.15Å; I193-F213 PolarHBondContact N-O 2.89Å; I193-F213 PolarHBondContact O-N 2.93Å; I193-C242 HydrophobicContact CD1-CB 4.03Å; I193-C242 HydrophobicContact CG1-CB 3.97Å; I193-W253 HydrophobicContact CD1-CH2 3.88Å; I193-W253 HydrophobicContact CD1-CZ3 4.16Å
194	C	94.5	Very high	88.5	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	143.9	178.2	-55.4	0	0	0	0	110.8	M185 D186 Y196 L209 Y211	M185-C194 VanDerWaalsContact CA-O 3.27Å; M185-C194 WeakPolarHBondContact CA-O 3.5Å; M185-C194 WeakPolarHBondContact CG-O 3.29Å; D186-C194 PolarHBondContact N-O 3.3Å; D186-C194 PolarHBondContact O-N 2.77Å; D186-C194 VanDerWaalsContact O-N 3.16Å; D186-C194 WeakPolarHBondContact OD1-CA 3.31Å; D186-C194 WeakPolarHBondContact OD1-CB 3Å; D186-C194 PolarHBondContact OD1-N 3.05Å; D186-C194 VanDerWaalsContact OD1-N 3.12Å; C194-Y196 HydrophobicContact CB-CE1 4.11Å; C194-Y196 HydrophobicContact CB-CE2 3.63Å; C194-Y196 VanDerWaalsContact CB-OH 3.27Å; C194-Y196 WeakPolarHBondContact CB-OH 3.19Å; C194-L209 HydrophobicContact CB-CD1 3.65Å; C194-Y211 WeakPolarHBondContact CA-O 3.4Å
195	L	93	Very high	87.3	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.4	174.1	-162.8	70.6	0	0	0	109.4	L184 M185 L210 Y211 F213 W224 I255	L184-L195 CarbonylContact O-C 3.54Å; L184-L195 WeakPolarHBondContact O-CA 3.26Å; L184-L195 WeakPolarHBondContact O-CD1 3.13Å; M185-L195 HydrophobicContact CB-CD1 3.89Å; M185-L195 HydrophobicContact CG-CD1 4.38Å; L195-L210 HydrophobicContact CB-CB 4.45Å; L195-L210 HydrophobicContact CD2-CB 4.48Å; L195-L210 HydrophobicContact CD2-CD1 4.33Å; L195-L210 HydrophobicContact CG-CD1 4.5Å; L195-L210 WeakPolarHBondContact O-CB 3.46Å; L195-L210 PolarHBondContact O-N 2.83Å; L195-Y211 HydrophobicContact CD2-CD2 3.95Å; L195-Y211 PolarHBondContact N-O 2.8Å; L195-Y211 PolarHBondContact O-N 3.04Å; L195-F213 HydrophobicContact CB-CE2 4.37Å; L195-W224 HydrophobicContact CD1-CH2 3.14Å; L195-W224 HydrophobicContact CD1-CZ2 3.58Å; L195-W224 HydrophobicContact CD1-CZ3 3.95Å; L195-W224 HydrophobicContact CD2-CH2 4.39Å; L195-W224 HydrophobicContact CG-CH2 4.2Å; L195-I255 HydrophobicContact CD2-CD1 4.35Å
196	Y	93.1	Very high	86.6	Confident	1 Å²	1	39.2 Å²	39.2	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.5	-175.7	-49.5	-90.2	0	0	0	112.9	L145 I160 L163 R183 L184 D186 C194 S208 L209	L145-Y196 HydrophobicContact CD1-CD2 4.07Å; L145-Y196 HydrophobicContact CD1-CE1 4.23Å; L145-Y196 HydrophobicContact CD1-CE2 3.4Å; L145-Y196 VanDerWaalsContact CD1-CZ 3.47Å; I160-Y196 HydrophobicContact CD1-CD1 3.88Å; I160-Y196 HydrophobicContact CD1-CE1 4.06Å; I160-Y196 HydrophobicContact CD1-CG 4.43Å; I160-Y196 HydrophobicContact CG2-CE1 4.05Å; L163-Y196 HydrophobicContact CD1-CE1 3.41Å; L163-Y196 VanDerWaalsContact CD1-CE1 3.41Å; L163-Y196 VanDerWaalsContact CD1-OH 3.23Å; L163-Y196 WeakPolarHBondContact CD1-OH 3.47Å; R183-Y196 VanDerWaalsContact CA-O 3.28Å; R183-Y196 WeakPolarHBondContact CA-O 3.4Å; L184-Y196 HydrophobicContact CB-CD2 4.32Å; L184-Y196 HydrophobicContact CD2-CD2 4.28Å; L184-Y196 HydrophobicContact CG-CD2 4.44Å; L184-Y196 PolarHBondContact N-O 2.91Å; L184-Y196 PolarHBondContact O-N 2.8Å; D186-Y196 HydrophobicContact CB-CE2 4.28Å; D186-Y196 VanDerWaalsContact CG-CE2 3.48Å; D186-Y196 VanDerWaalsContact OD1-CE2 3.26Å; D186-Y196 WeakPolarHBondContact OD1-CE2 3.25Å; D186-Y196 PolarHBondContact OD1-OH 3.45Å; D186-Y196 PolarHBondContact OD2-OH 3.08Å; C194-Y196 HydrophobicContact CB-CE1 4.11Å; C194-Y196 HydrophobicContact CB-CE2 3.63Å; C194-Y196 VanDerWaalsContact CB-OH 3.27Å; C194-Y196 WeakPolarHBondContact CB-OH 3.19Å; Y196-S208 CarbonylContact C-O 3.45Å; Y196-S208 WeakPolarHBondContact CA-O 3.2Å; Y196-L209 HydrophobicContact CD1-CD1 4.21Å; Y196-L209 HydrophobicContact CE1-CD1 3.94Å
197	D	91.1	Very high	85.7	Confident	22 Å²	22	44.2 Å²	44.2	12%	0.118	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	113.9	155.3	-174.3	-6.5	0	0	0	108.6	Y181 N199 A202 S208 L210	Y181-D197 WeakPolarHBondContact CE2-OD2 3.11Å; D197-N199 VanDerWaalsContact C-N 3.3Å; D197-N199 WeakPolarHBondContact OD1-CB 3.49Å; D197-N199 PolarHBondContact OD1-N 3.2Å; D197-N199 PolarHBondContact OD1-ND2 3.17Å; D197-A202 HydrophobicContact CB-CB 3.91Å; D197-S208 PolarHBondContact N-O 3.46Å; D197-S208 VanDerWaalsContact O-CB 3.31Å; D197-S208 WeakPolarHBondContact O-CB 3.23Å; D197-L210 HydrophobicContact CB-CD1 4.04Å; D197-L210 HydrophobicContact CB-CD2 4.01Å; D197-L210 HydrophobicContact CB-CG 4.04Å
198	M	91.1	Very high	85.4	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.02	25%	0.248	C	C	.	.			trans	-94.3	16.3	-179.3	-61.7	-60.2	-70.1	0	0	112.6	L113 Y147 I160 F173 L182 L184 I203	L113-M198 HydrophobicContact CD1-CB 4.12Å; Y147-M198 HydrophobicContact CD1-CE 3.88Å; Y147-M198 HydrophobicContact CD2-CE 4.18Å; Y147-M198 HydrophobicContact CE1-CE 4.37Å; Y147-M198 HydrophobicContact CG-CE 3.78Å; I160-M198 HydrophobicContact CD1-SD 4.28Å; F173-M198 HydrophobicContact CE1-CB 4.43Å; F173-M198 HydrophobicContact CE1-CG 4.16Å; L182-M198 HydrophobicContact CB-CB 4.07Å; L182-M198 WeakPolarHBondContact O-CA 3.49Å; L182-M198 WeakPolarHBondContact O-CB 3.12Å; L182-M198 PolarHBondContact O-N 2.66Å; L184-M198 HydrophobicContact CB-CG 3.45Å; L184-M198 VanDerWaalsContact CB-CG 3.45Å; L184-M198 HydrophobicContact CB-SD 4.01Å; L184-M198 HydrophobicContact CD2-CE 4.09Å; L184-M198 HydrophobicContact CD2-CG 4.28Å; L184-M198 HydrophobicContact CD2-SD 3.86Å; L184-M198 HydrophobicContact CG-CG 4.46Å; M198-I203 HydrophobicContact CB-CD1 4.46Å; M198-I203 HydrophobicContact CE-CD1 4.24Å; M198-I203 WeakPolarHBondContact O-CD1 3.39Å
199	N	85.7	Confident	85.3	Confident	32 Å²	32	48 Å²	48	17%	0.171	27%	0.267	C	S	.	.			trans	-66.7	143.8	169.9	-76.6	-16.6	0	0	0	112.2	G180 Y181 L182 D197 E201 A202 I203	G180-N199 PolarHBondContact O-ND2 2.82Å; G180-N199 PolarHBondContact O-OD1 2.7Å; Y181-N199 WeakPolarHBondContact CA-ND2 3.49Å; Y181-N199 WeakPolarHBondContact CA-OD1 3.32Å; Y181-N199 VanDerWaalsContact CD2-ND2 3.29Å; Y181-N199 WeakPolarHBondContact CD2-ND2 3.32Å; Y181-N199 PolarHBondContact N-OD1 2.83Å; L182-N199 PolarHBondContact N-OD1 2.9Å; D197-N199 VanDerWaalsContact C-N 3.3Å; D197-N199 WeakPolarHBondContact OD1-CB 3.49Å; D197-N199 PolarHBondContact OD1-N 3.2Å; D197-N199 PolarHBondContact OD1-ND2 3.17Å; N199-E201 PolarHBondContact O-N 3.46Å; N199-E201 VanDerWaalsContact O-N 3.14Å; N199-A202 HydrophobicContact CB-CB 4.47Å; N199-A202 PolarHBondContact O-N 3.44Å; N199-A202 VanDerWaalsContact O-N 3.15Å; N199-I203 WeakPolarHBondContact O-CB 3.36Å; N199-I203 WeakPolarHBondContact O-CG1 3.46Å; N199-I203 PolarHBondContact O-N 2.8Å
200	A	75.7	Confident	85.1	Confident	81 Å²	81	48 Å²	48	67%	0.669	27%	0.268	S	S	*	.	H	α-helix	trans	-54.7	-36.7	-179.6	0	0	0	0	0	112.5	S204	A200-S204 WeakPolarHBondContact O-CB 3.47Å; A200-S204 PolarHBondContact O-N 3Å; A200-S204 PolarHBondContact O-OG 2.75Å
201	E	76.7	Confident	84.9	Confident	152 Å²	152	49.8 Å²	49.8	71%	0.71	27%	0.272	S	S	*	.	H	α-helix	trans	-67.5	-51	177.6	-65.9	-173.2	178.2	0	0	112.1	N199 I203 S204 Q205	N199-E201 PolarHBondContact O-N 3.46Å; N199-E201 VanDerWaalsContact O-N 3.14Å; E201-I203 VanDerWaalsContact C-N 3.33Å; E201-I203 PolarHBondContact O-N 3.02Å; E201-S204 PolarHBondContact O-N 2.75Å; E201-S204 VanDerWaalsContact O-N 3.17Å; E201-S204 PolarHBondContact O-OG 3.33Å; E201-Q205 WeakPolarHBondContact O-CG 3.48Å; E201-Q205 PolarHBondContact O-N 3.07Å; E201-Q205 VanDerWaalsContact O-N 3.17Å
202	A	72	Confident	85	Confident	12 Å²	12	55.6 Å²	55.6	10%	0.099	30%	0.301	C	S	.	.	H	α-helix	trans	-59.3	-45.3	180	0	0	0	0	0	111.5	D197 N199 Q205 D206 N207 S208	D197-A202 HydrophobicContact CB-CB 3.91Å; N199-A202 HydrophobicContact CB-CB 4.47Å; N199-A202 PolarHBondContact O-N 3.44Å; N199-A202 VanDerWaalsContact O-N 3.15Å; A202-Q205 PolarHBondContact O-N 2.89Å; A202-D206 PolarHBondContact O-N 2.96Å; A202-N207 CarbonylContact O-C 3.51Å; A202-N207 PolarHBondContact O-N 3.43Å; A202-S208 PolarHBondContact O-N 3.05Å
203	I	77.3	Confident	84.7	Confident	36 Å²	36	55.5 Å²	55.5	19%	0.185	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-49.1	174	-75.5	170.6	0	0	0	111.7	Y147 M198 N199 E201 Q205 D206	Y147-I203 HydrophobicContact CE2-CD1 3.86Å; Y147-I203 WeakPolarHBondContact OH-CG2 3.36Å; M198-I203 HydrophobicContact CB-CD1 4.46Å; M198-I203 HydrophobicContact CE-CD1 4.24Å; M198-I203 WeakPolarHBondContact O-CD1 3.39Å; N199-I203 WeakPolarHBondContact O-CB 3.36Å; N199-I203 WeakPolarHBondContact O-CG1 3.46Å; N199-I203 PolarHBondContact O-N 2.8Å; E201-I203 VanDerWaalsContact C-N 3.33Å; E201-I203 PolarHBondContact O-N 3.02Å; I203-Q205 PolarHBondContact O-N 3.36Å; I203-Q205 VanDerWaalsContact O-N 3.17Å; I203-D206 PolarHBondContact O-N 3.14Å; I203-D206 VanDerWaalsContact O-N 3.1Å
204	S	72.7	Confident	84.6	Confident	92 Å²	92	60.1 Å²	60.1	64%	0.643	32%	0.323	S	S	*	.	H	α-helix	trans	-64.6	-22.4	-175.3	70.3	0	0	0	0	113.2	A200 E201	A200-S204 WeakPolarHBondContact O-CB 3.47Å; A200-S204 PolarHBondContact O-N 3Å; A200-S204 PolarHBondContact O-OG 2.75Å; E201-S204 PolarHBondContact O-N 2.75Å; E201-S204 VanDerWaalsContact O-N 3.17Å; E201-S204 PolarHBondContact O-OG 3.33Å
205	Q	70	Confident	84.1	Confident	122 Å²	122	60.1 Å²	60.1	57%	0.57	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	5.6	179.8	-64.9	-179.1	9.8	0	0	113.3	E201 A202 I203 N207	E201-Q205 WeakPolarHBondContact O-CG 3.48Å; E201-Q205 PolarHBondContact O-N 3.07Å; E201-Q205 VanDerWaalsContact O-N 3.17Å; A202-Q205 PolarHBondContact O-N 2.89Å; I203-Q205 PolarHBondContact O-N 3.36Å; I203-Q205 VanDerWaalsContact O-N 3.17Å; Q205-N207 HydrophobicContact CB-CB 4.38Å; Q205-N207 PolarHBondContact O-N 3.33Å
206	D	78	Confident	83.7	Confident	146 Å²	146	66 Å²	66	78%	0.781	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	27.1	-175.4	-154.1	21.1	0	0	0	113	A202 I203	A202-D206 PolarHBondContact O-N 2.96Å; I203-D206 PolarHBondContact O-N 3.14Å; I203-D206 VanDerWaalsContact O-N 3.1Å
207	N	78.4	Confident	83.3	Confident	106 Å²	106	67.9 Å²	67.9	57%	0.567	36%	0.364	S	S	*	.			trans	-112.8	29.5	-178.7	-72.2	-28.8	0	0	0	110.9	A202 Q205	A202-N207 CarbonylContact O-C 3.51Å; A202-N207 PolarHBondContact O-N 3.43Å; Q205-N207 HydrophobicContact CB-CB 4.38Å; Q205-N207 PolarHBondContact O-N 3.33Å
208	S	87.8	Confident	83.1	Confident	6 Å²	6	69.7 Å²	69.7	4%	0.042	38%	0.376	C	S	.	.			trans	-72.8	-29.4	-178.3	58.2	0	0	0	0	112.5	Y196 D197 A202 L210	Y196-S208 CarbonylContact C-O 3.45Å; Y196-S208 WeakPolarHBondContact CA-O 3.2Å; D197-S208 PolarHBondContact N-O 3.46Å; D197-S208 VanDerWaalsContact O-CB 3.31Å; D197-S208 WeakPolarHBondContact O-CB 3.23Å; A202-S208 PolarHBondContact O-N 3.05Å; S208-L210 PolarHBondContact O-N 3.34Å
209	L	91.4	Very high	82.9	Confident	73 Å²	73	69.5 Å²	69.5	38%	0.382	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	118.6	-178.6	-176.6	69.8	0	0	0	111.3	L163 C194 Y196	L163-L209 HydrophobicContact CD1-CD1 4.34Å; L163-L209 HydrophobicContact CD2-CD2 3.96Å; C194-L209 HydrophobicContact CB-CD1 3.65Å; Y196-L209 HydrophobicContact CD1-CD1 4.21Å; Y196-L209 HydrophobicContact CE1-CD1 3.94Å
210	L	88.5	Confident	82.8	Confident	55 Å²	55	69.4 Å²	69.4	29%	0.288	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-52	176.9	-63.1	176.4	0	0	0	112	L195 D197 S208	L195-L210 HydrophobicContact CB-CB 4.45Å; L195-L210 HydrophobicContact CD2-CB 4.48Å; L195-L210 HydrophobicContact CD2-CD1 4.33Å; L195-L210 HydrophobicContact CG-CD1 4.5Å; L195-L210 WeakPolarHBondContact O-CB 3.46Å; L195-L210 PolarHBondContact O-N 2.83Å; D197-L210 HydrophobicContact CB-CD1 4.04Å; D197-L210 HydrophobicContact CB-CD2 4.01Å; D197-L210 HydrophobicContact CB-CG 4.04Å; S208-L210 PolarHBondContact O-N 3.34Å
211	Y	89.4	Confident	83.3	Confident	79 Å²	79	65.6 Å²	65.6	31%	0.31	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155.9	-174.1	-65.3	-78.3	0	0	0	111.5	C194 L195 F213 M259	C194-Y211 WeakPolarHBondContact CA-O 3.4Å; L195-Y211 HydrophobicContact CD2-CD2 3.95Å; L195-Y211 PolarHBondContact N-O 2.8Å; L195-Y211 PolarHBondContact O-N 3.04Å; Y211-F213 HydrophobicContact CG-CZ 4.44Å; Y211-M259 HydrophobicContact CD1-CE 3.86Å; Y211-M259 HydrophobicContact CD1-SD 4.26Å; Y211-M259 HydrophobicContact CD2-CE 4.44Å; Y211-M259 HydrophobicContact CD2-CG 4.43Å; Y211-M259 HydrophobicContact CD2-SD 3.77Å; Y211-M259 HydrophobicContact CE1-CE 3.34Å; Y211-M259 HydrophobicContact CE1-CG 4.39Å; Y211-M259 HydrophobicContact CE1-SD 3.9Å; Y211-M259 HydrophobicContact CE2-CB 3.76Å; Y211-M259 HydrophobicContact CE2-CE 3.99Å; Y211-M259 HydrophobicContact CE2-CG 3.48Å; Y211-M259 VanDerWaalsContact CE2-CG 3.48Å; Y211-M259 HydrophobicContact CE2-SD 3.36Å; Y211-M259 WeakPolarHBondContact CE2-SD 3.34Å; Y211-M259 HydrophobicContact CG-CE 4.4Å; Y211-M259 HydrophobicContact CG-SD 4.22Å; Y211-M259 VanDerWaalsContact CZ-CE 3.44Å; Y211-M259 VanDerWaalsContact CZ-CG 3.47Å; Y211-M259 VanDerWaalsContact OH-CG 3.32Å; Y211-M259 WeakPolarHBondContact OH-CG 3.19Å
212	M	91.6	Very high	83.8	Confident	123 Å²	123	58.4 Å²	58.4	61%	0.606	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.4	174.4	-174.7	177.7	62.3	0	0	108.5	V192 I193	V192-M212 HydrophobicContact CG1-CG 3.36Å; V192-M212 HydrophobicContact CG1-SD 3.62Å; I193-M212 CarbonylContact O-C 3.53Å; I193-M212 WeakPolarHBondContact O-CA 3.13Å
213	F	88.4	Confident	84.5	Confident	22 Å²	22	57.9 Å²	57.9	10%	0.096	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	152.9	176.8	-45.8	-87	0	0	0	109.5	V192 I193 L195 Y211 V240 W253	V192-F213 WeakPolarHBondContact CA-O 3.48Å; I193-F213 HydrophobicContact CB-CB 4.2Å; I193-F213 HydrophobicContact CB-CD2 4.31Å; I193-F213 HydrophobicContact CD1-CB 4.41Å; I193-F213 HydrophobicContact CG2-CD2 4.15Å; I193-F213 PolarHBondContact N-O 2.89Å; I193-F213 PolarHBondContact O-N 2.93Å; L195-F213 HydrophobicContact CB-CE2 4.37Å; Y211-F213 HydrophobicContact CG-CZ 4.44Å; F213-V240 HydrophobicContact CD2-CG2 4.23Å; F213-V240 HydrophobicContact CE1-CG2 4.46Å; F213-V240 HydrophobicContact CE2-CG2 3.74Å; F213-V240 HydrophobicContact CZ-CG2 3.87Å; F213-W253 HydrophobicContact CB-CD2 3.95Å; F213-W253 HydrophobicContact CB-CE3 4.17Å; F213-W253 HydrophobicContact CB-CG 4.47Å; F213-W253 HydrophobicContact CB-CH2 4.27Å; F213-W253 HydrophobicContact CB-CZ2 4.08Å; F213-W253 HydrophobicContact CB-CZ3 4.33Å; F213-W253 HydrophobicContact CD1-CB 3.75Å; F213-W253 AromaticContact CD1-CD1 3.75Å; F213-W253 AromaticContact CD1-CD2 3.85Å; F213-W253 HydrophobicContact CD1-CD2 3.85Å; F213-W253 HydrophobicContact CD1-CE3 4.48Å; F213-W253 AromaticContact CD1-CG 3.49Å; F213-W253 HydrophobicContact CD1-CG 3.49Å; F213-W253 VanDerWaalsContact CD1-CG 3.49Å; F213-W253 HydrophobicContact CE1-CB 3.69Å; F213-W253 AromaticContact CE1-CG 3.98Å; F213-W253 HydrophobicContact CE1-CG 3.98Å; F213-W253 HydrophobicContact CG-CD2 4.04Å; F213-W253 HydrophobicContact CG-CE3 4.29Å; F213-W253 HydrophobicContact CG-CG 4.16Å; F213-W253 HydrophobicContact CZ-CB 4.49Å
214	N	89.9	Confident	84.7	Confident	98 Å²	98	56.5 Å²	56.5	52%	0.524	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114.7	179.5	-170.4	-23.7	0	0	0	109.3	G191 E216 W253	G191-N214 CarbonylContact O-C 3.56Å; G191-N214 WeakPolarHBondContact O-CA 3.38Å; N214-E216 PolarHBondContact O-N 3.3Å; N214-E216 VanDerWaalsContact OD1-CA 3.26Å; N214-E216 WeakPolarHBondContact OD1-CA 3.2Å; N214-E216 PolarHBondContact OD1-N 2.78Å; N214-W253 WeakPolarHBondContact O-CZ2 3.14Å
215	S	83.9	Confident	84.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.27	C	S	.	.			trans	-77.8	-1	175.2	53.3	0	0	0	0	113.4	G191 S217 C242 K251	G191-S215 WeakPolarHBondContact CA-OG 3.3Å; G191-S215 PolarHBondContact O-N 3.23Å; G191-S215 PolarHBondContact O-OG 3.08Å; S215-S217 PolarHBondContact O-N 3.1Å; S215-S217 PolarHBondContact O-OG 3.27Å; S215-S217 PolarHBondContact OG-O 3.01Å; S215-C242 WeakPolarHBondContact CB-SG 3.44Å; S215-K251 VanDerWaalsContact C-NZ 3.27Å; S215-K251 WeakPolarHBondContact O-CD 3.04Å; S215-K251 VanDerWaalsContact O-CE 3.24Å; S215-K251 WeakPolarHBondContact O-CE 3.5Å; S215-K251 PolarHBondContact O-NZ 2.88Å
216	E	84.6	Confident	85	Confident	123 Å²	123	47 Å²	47	58%	0.575	25%	0.246	S	C	*	.	S	Bend	trans	54.9	11.5	-178.9	-51.8	170.7	146.9	0	0	113.6	N214 K251	N214-E216 PolarHBondContact O-N 3.3Å; N214-E216 VanDerWaalsContact OD1-CA 3.26Å; N214-E216 WeakPolarHBondContact OD1-CA 3.2Å; N214-E216 PolarHBondContact OD1-N 2.78Å; E216-K251 IonicContact OE2-NZ 2.71Å; E216-K251 PolarHBondContact OE2-NZ 3.48Å
217	S	84.4	Confident	84.4	Confident	42 Å²	42	40.6 Å²	40.6	29%	0.294	21%	0.213	S	C	.	.	S	Bend	trans	-165	157.4	-172.5	56.8	0	0	0	0	108.9	G191 S215 A219 T244	G191-S217 WeakPolarHBondContact CA-O 3.47Å; S215-S217 PolarHBondContact O-N 3.1Å; S215-S217 PolarHBondContact O-OG 3.27Å; S215-S217 PolarHBondContact OG-O 3.01Å; S217-A219 PolarHBondContact O-N 3.1Å; S217-A219 VanDerWaalsContact O-N 3.1Å; S217-T244 WeakPolarHBondContact OG-CG2 3.45Å
218	V	87.9	Confident	83.7	Confident	59 Å²	59	37.7 Å²	37.7	36%	0.358	20%	0.197	S	C	.	.			trans	-53.3	115.8	-178.9	179.7	0	0	0	0	110.2	E189 T244 T245	E189-V218 HydrophobicContact CB-CG1 3.9Å; E189-V218 HydrophobicContact CG-CG1 4.16Å; E189-V218 WeakPolarHBondContact O-CA 3.41Å; E189-V218 WeakPolarHBondContact O-CG2 3.42Å; V218-T244 CarbonylContact O-C 3.54Å; V218-T244 VanDerWaalsContact O-CA 3.24Å; V218-T244 WeakPolarHBondContact O-CA 3.32Å; V218-T245 WeakPolarHBondContact CB-OG1 3.49Å; V218-T245 PolarHBondContact O-N 3.13Å; V218-T245 VanDerWaalsContact O-N 3.08Å
219	A	86.1	Confident	82	Confident	1 Å²	1	41 Å²	41	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	146.1	174.1	0	0	0	0	0	109.8	V169 C187 S188 S217 T243	V169-A219 WeakPolarHBondContact CG2-O 3.49Å; C187-A219 HydrophobicContact CB-CB 3.8Å; S188-A219 WeakPolarHBondContact O-CB 3.25Å; S188-A219 PolarHBondContact O-N 2.98Å; S217-A219 PolarHBondContact O-N 3.1Å; S217-A219 VanDerWaalsContact O-N 3.1Å; A219-T243 CarbonylContact C-O 3.54Å; A219-T243 WeakPolarHBondContact CA-O 3.3Å
220	S	84.5	Confident	79.9	Confident	30 Å²	30	42.8 Å²	42.8	21%	0.21	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-21.3	177.7	53.7	0	0	0	0	114.3	T243 T244	S220-T243 PolarHBondContact N-O 2.94Å; S220-T243 PolarHBondContact OG-O 3.34Å; S220-T243 PolarHBondContact OG-OG1 2.88Å; S220-T244 VanDerWaalsContact OG-C 3.32Å; S220-T244 PolarHBondContact OG-O 2.78Å
221	S	86.8	Confident	77.8	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	162.6	172	75.2	0	0	0	0	109.6	D170 C187 C242 T243	D170-S221 VanDerWaalsContact OD2-CA 3.26Å; D170-S221 WeakPolarHBondContact OD2-CA 3.26Å; D170-S221 VanDerWaalsContact OD2-CB 3.29Å; D170-S221 WeakPolarHBondContact OD2-CB 3.29Å; C187-S221 VanDerWaalsContact SG-C 3.53Å; S221-C242 CarbonylContact O-C 3.41Å; S221-C242 WeakPolarHBondContact O-CA 3.45Å; S221-C242 WeakPolarHBondContact O-CB 3.21Å; S221-T243 PolarHBondContact N-OG1 2.91Å; S221-T243 PolarHBondContact O-N 3.27Å; S221-T243 WeakPolarHBondContact OG-CG2 3.41Å; S221-T243 PolarHBondContact OG-OG1 2.78Å
222	C	86.9	Confident	75.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	160.2	173.6	65.7	0	0	0	0	110.8	D170 K172 M185 C187 Y241	D170-C222 PolarHBondContact OD2-N 3.19Å; K172-C222 WeakPolarHBondContact CG-O 3.28Å; M185-C222 HydrophobicContact CE-CB 3.54Å; M185-C222 HydrophobicContact CG-CB 4.32Å; M185-C222 HydrophobicContact SD-CB 4.04Å; C187-C222 HydrophobicContact CB-CB 4.06Å; C222-Y241 CarbonylContact C-O 3.42Å; C222-Y241 VanDerWaalsContact CA-O 3.3Å; C222-Y241 WeakPolarHBondContact CA-O 3.15Å
223	G	85.4	Confident	73.5	Confident	2 Å²	2	47.8 Å²	47.8	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	173.9	171.7	0	0	0	0	0	114.6	M185 V240 Y241	M185-G223 VanDerWaalsContact CE-C 3.43Å; M185-G223 VanDerWaalsContact CE-O 3.25Å; M185-G223 WeakPolarHBondContact CE-O 3.49Å; G223-V240 CarbonylContact O-C 3.48Å; G223-V240 WeakPolarHBondContact O-CA 3.16Å; G223-Y241 VanDerWaalsContact C-CD1 3.49Å; G223-Y241 VanDerWaalsContact CA-CE1 3.45Å; G223-Y241 PolarHBondContact N-O 2.89Å; G223-Y241 WeakPolarHBondContact O-CD1 3.45Å; G223-Y241 WeakPolarHBondContact O-CE1 3.32Å; G223-Y241 PolarHBondContact O-N 3.01Å
224	W	82.2	Confident	72.3	Confident	7 Å²	7	51 Å²	51	3%	0.027	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	140.1	-174.8	-62.7	88.8	0	0	0	110.8	K172 F173 D174 R183 M185 L195 I226 A237 V240 I255	K172-W224 PolarHBondContact O-NE1 3.37Å; F173-W224 PolarHBondContact O-NE1 3.34Å; D174-W224 VanDerWaalsContact CA-CE2 3.5Å; D174-W224 HydrophobicContact CB-CD2 3.85Å; D174-W224 HydrophobicContact CB-CE3 4.04Å; D174-W224 HydrophobicContact CB-CH2 3.64Å; D174-W224 HydrophobicContact CB-CZ2 3.5Å; D174-W224 VanDerWaalsContact CB-CZ2 3.5Å; D174-W224 HydrophobicContact CB-CZ3 3.93Å; R183-W224 HydrophobicContact CB-CH2 3.88Å; R183-W224 HydrophobicContact CB-CZ2 4.3Å; M185-W224 HydrophobicContact CB-CZ2 3.9Å; L195-W224 HydrophobicContact CD1-CH2 3.14Å; L195-W224 HydrophobicContact CD1-CZ2 3.58Å; L195-W224 HydrophobicContact CD1-CZ3 3.95Å; L195-W224 HydrophobicContact CD2-CH2 4.39Å; L195-W224 HydrophobicContact CG-CH2 4.2Å; W224-I226 HydrophobicContact CB-CG1 4.34Å; W224-A237 HydrophobicContact CE3-CB 3.85Å; W224-A237 HydrophobicContact CZ3-CB 4.3Å; W224-V240 HydrophobicContact CD2-CG1 4.14Å; W224-V240 HydrophobicContact CE3-CG1 3.73Å; W224-V240 HydrophobicContact CZ3-CG1 3.97Å; W224-I255 HydrophobicContact CE3-CD1 4Å; W224-I255 HydrophobicContact CZ3-CD1 3.53Å
225	L	75.8	Confident	71.2	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.1	170.3	-57.9	169.1	0	0	0	107.4	L2 A237 V238 G239 Y241 A252 I325 F333	L2-L225 HydrophobicContact CD2-CD2 4.49Å; L225-A237 CarbonylContact O-C 3.59Å; L225-A237 WeakPolarHBondContact O-CA 3.27Å; L225-V238 HydrophobicContact CB-CG2 4.1Å; L225-V238 WeakPolarHBondContact O-CG2 3.42Å; L225-V238 PolarHBondContact O-N 3.25Å; L225-G239 PolarHBondContact N-O 3.33Å; L225-G239 PolarHBondContact O-N 2.83Å; L225-Y241 HydrophobicContact CD2-CD1 3.41Å; L225-Y241 VanDerWaalsContact CD2-CD1 3.41Å; L225-Y241 HydrophobicContact CD2-CE1 4.07Å; L225-Y241 HydrophobicContact CD2-CG 4.22Å; L225-Y241 HydrophobicContact CG-CD1 3.86Å; L225-A252 HydrophobicContact CD1-CB 3.94Å; L225-I325 HydrophobicContact CB-CD1 3.5Å; L225-I325 VanDerWaalsContact CB-CD1 3.5Å; L225-I325 HydrophobicContact CD1-CD1 3.31Å; L225-I325 HydrophobicContact CD2-CD1 3.86Å; L225-I325 HydrophobicContact CG-CD1 3.69Å; L225-F333 HydrophobicContact CD1-CE1 3.88Å
226	I	73.1	Confident	70.6	Confident	11 Å²	11	51.9 Å²	51.9	6%	0.056	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.2	-173.8	-55.8	162.8	0	0	0	108.9	V5 P175 T176 W224 P235	V5-I226 HydrophobicContact CG2-CD1 4.22Å; P175-I226 HydrophobicContact CB-CD1 4.47Å; P175-I226 HydrophobicContact CG-CD1 3.32Å; P175-I226 HydrophobicContact CG-CG1 4.25Å; T176-I226 HydrophobicContact CG2-CD1 4.45Å; T176-I226 HydrophobicContact CG2-CG1 4.2Å; T176-I226 HydrophobicContact CG2-CG2 3.85Å; W224-I226 HydrophobicContact CB-CG1 4.34Å; I226-P235 HydrophobicContact CG2-CB 3.67Å
227	S	66.5	Low	70	Confident	12 Å²	12	46 Å²	46	8%	0.084	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121	169.4	-171.1	0	0	0	0	110.4	N229 T236	S227-N229 PolarHBondContact OG-OD1 2.88Å; S227-N229 VanDerWaalsContact OG-OD1 3.06Å; S227-T236 PolarHBondContact N-O 3.27Å; S227-T236 PolarHBondContact O-N 3.4Å
228	D	62.5	Low	69.4	Low	46 Å²	46	45.9 Å²	45.9	25%	0.246	28%	0.28	C	S	.	.			trans	-89.1	94.3	161	-65	-28.7	0	0	0	108	M1 N3 D230	M1-D228 PolarHBondContact N-O 2.73Å; M1-D228 PolarHBondContact O-N 3.15Å; N3-D228 PolarHBondContact ND2-OD2 3.17Å; D228-D230 PolarHBondContact O-N 2.8Å
229	N	53	Low	68.7	Low	74 Å²	74	43.1 Å²	43.1	40%	0.396	26%	0.263	S	S	.	.			trans	-76.7	113	169.5	-81.5	-7.6	0	0	0	108.4	S227 L231	S227-N229 PolarHBondContact OG-OD1 2.88Å; S227-N229 VanDerWaalsContact OG-OD1 3.06Å; N229-L231 PolarHBondContact O-N 2.96Å
230	D	47	Very low	68.4	Low	112 Å²	112	43.1 Å²	43.1	60%	0.599	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-0.2	-177.2	-79.7	-51.5	0	0	0	114.5	D228 K393	D228-D230 PolarHBondContact O-N 2.8Å; D230-K393 IonicContact OD1-NZ 2.72Å; D230-K393 PolarHBondContact OD1-NZ 3.12Å
231	L	43.1	Very low	68.2	Low	146 Å²	146	42.1 Å²	42.1	76%	0.764	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	85.3	176.9	-70.7	97	0	0	0	111.2	N229 C233	N229-L231 PolarHBondContact O-N 2.96Å; L231-C233 VanDerWaalsContact C-N 3.28Å; L231-C233 PolarHBondContact O-N 3.13Å
232	S	43.3	Very low	67.8	Low	128 Å²	128	42.1 Å²	42.1	90%	0.895	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	0.3	156.3	69.2	0	0	0	0	119.9
233	C	48.6	Very low	67.4	Low	87 Å²	87	42.6 Å²	42.6	59%	0.588	26%	0.257	S	S	*	.			trans	-107.1	139.2	175.4	-74.1	0	0	0	0	111	L231	L231-C233 VanDerWaalsContact C-N 3.28Å; L231-C233 PolarHBondContact O-N 3.13Å
234	S	62.5	Low	66.9	Low	90 Å²	90	42.7 Å²	42.7	63%	0.629	26%	0.257	S	S	*	.			trans	-49.5	153.5	171.8	48.9	0	0	0	0	111.6	T236	S234-T236 WeakPolarHBondContact O-CG2 2.85Å; S234-T236 PolarHBondContact O-N 2.79Å
235	P	67.7	Low	66.2	Low	64 Å²	64	46 Å²	46	42%	0.416	28%	0.279	S	S	.	.			trans	-50.6	136	173.6	22.2	-34.2	0	0	0	110.6	T176 I226	T176-P235 WeakPolarHBondContact CB-O 3.44Å; T176-P235 HydrophobicContact CG2-CB 4.03Å; T176-P235 HydrophobicContact CG2-CG 4.47Å; T176-P235 WeakPolarHBondContact CG2-O 3.39Å; I226-P235 HydrophobicContact CG2-CB 3.67Å
236	T	70.5	Confident	65.3	Low	52 Å²	52	54.3 Å²	54.3	32%	0.319	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.6	179.3	56.8	0	0	0	0	110.8	S227 S234 V238	S227-T236 PolarHBondContact N-O 3.27Å; S227-T236 PolarHBondContact O-N 3.4Å; S234-T236 WeakPolarHBondContact O-CG2 2.85Å; S234-T236 PolarHBondContact O-N 2.79Å; T236-V238 PolarHBondContact O-N 2.97Å
237	A	73.3	Confident	64.4	Low	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	123.6	169.6	0	0	0	0	0	111	T176 W224 L225 L260	T176-A237 PolarHBondContact OG1-N 3.36Å; W224-A237 HydrophobicContact CE3-CB 3.85Å; W224-A237 HydrophobicContact CZ3-CB 4.3Å; L225-A237 CarbonylContact O-C 3.59Å; L225-A237 WeakPolarHBondContact O-CA 3.27Å; A237-L260 WeakPolarHBondContact O-CD1 3.24Å
238	V	70.6	Confident	63.9	Low	40 Å²	40	59.4 Å²	59.4	24%	0.242	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-13.3	178	-66.2	0	0	0	0	112.8	L225 T236 I255 I325	L225-V238 HydrophobicContact CB-CG2 4.1Å; L225-V238 WeakPolarHBondContact O-CG2 3.42Å; L225-V238 PolarHBondContact O-N 3.25Å; T236-V238 PolarHBondContact O-N 2.97Å; V238-I255 PolarHBondContact O-N 3.35Å; V238-I325 HydrophobicContact CG2-CD1 4.28Å; V238-I325 HydrophobicContact CG2-CG2 4.35Å
239	G	73.4	Confident	64	Low	1 Å²	1	61.5 Å²	61.5	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	179.9	-178	0	0	0	0	0	112.7	L225 W253	L225-G239 PolarHBondContact N-O 3.33Å; L225-G239 PolarHBondContact O-N 2.83Å; G239-W253 CarbonylContact C-O 3.54Å; G239-W253 WeakPolarHBondContact CA-O 3.18Å
240	V	79.2	Confident	64.9	Low	0 Å²	0	60 Å²	60	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156	172.7	-74.3	0	0	0	0	109.4	M185 F213 G223 W224 A252 W253 I255	M185-V240 HydrophobicContact CE-CB 4.13Å; M185-V240 HydrophobicContact CE-CG1 3.9Å; M185-V240 HydrophobicContact SD-CB 3.63Å; M185-V240 HydrophobicContact SD-CG1 3.53Å; M185-V240 VanDerWaalsContact SD-CG1 3.53Å; M185-V240 HydrophobicContact SD-CG2 4.3Å; F213-V240 HydrophobicContact CD2-CG2 4.23Å; F213-V240 HydrophobicContact CE1-CG2 4.46Å; F213-V240 HydrophobicContact CE2-CG2 3.74Å; F213-V240 HydrophobicContact CZ-CG2 3.87Å; G223-V240 CarbonylContact O-C 3.48Å; G223-V240 WeakPolarHBondContact O-CA 3.16Å; W224-V240 HydrophobicContact CD2-CG1 4.14Å; W224-V240 HydrophobicContact CE3-CG1 3.73Å; W224-V240 HydrophobicContact CZ3-CG1 3.97Å; V240-A252 CarbonylContact O-C 3.59Å; V240-A252 VanDerWaalsContact O-CA 3.29Å; V240-A252 WeakPolarHBondContact O-CA 3.45Å; V240-W253 HydrophobicContact CG2-CB 4.18Å; V240-W253 HydrophobicContact CG2-CE3 4.42Å; V240-W253 PolarHBondContact N-O 2.93Å; V240-W253 PolarHBondContact O-N 2.91Å; V240-I255 HydrophobicContact CG1-CD1 3.62Å; V240-I255 HydrophobicContact CG1-CG1 4.4Å
241	Y	80	Confident	66.1	Low	10 Å²	10	57 Å²	57	4%	0.039	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.6	172.7	70.3	-85.5	0	0	0	111	V4 V5 S6 C222 G223 L225 I250 K251	V4-Y241 HydrophobicContact CG1-CE1 4.37Å; V5-Y241 PolarHBondContact O-OH 3.14Å; S6-Y241 VanDerWaalsContact CA-OH 3.27Å; S6-Y241 WeakPolarHBondContact CA-OH 3.1Å; S6-Y241 WeakPolarHBondContact CB-OH 3.44Å; C222-Y241 CarbonylContact C-O 3.42Å; C222-Y241 VanDerWaalsContact CA-O 3.3Å; C222-Y241 WeakPolarHBondContact CA-O 3.15Å; G223-Y241 VanDerWaalsContact C-CD1 3.49Å; G223-Y241 VanDerWaalsContact CA-CE1 3.45Å; G223-Y241 PolarHBondContact N-O 2.89Å; G223-Y241 WeakPolarHBondContact O-CD1 3.45Å; G223-Y241 WeakPolarHBondContact O-CE1 3.32Å; G223-Y241 PolarHBondContact O-N 3.01Å; L225-Y241 HydrophobicContact CD2-CD1 3.41Å; L225-Y241 VanDerWaalsContact CD2-CD1 3.41Å; L225-Y241 HydrophobicContact CD2-CE1 4.07Å; L225-Y241 HydrophobicContact CD2-CG 4.22Å; L225-Y241 HydrophobicContact CG-CD1 3.86Å; Y241-I250 HydrophobicContact CD2-CG2 4.07Å; Y241-I250 HydrophobicContact CG-CG2 4.46Å; Y241-K251 CarbonylContact C-O 3.51Å; Y241-K251 WeakPolarHBondContact CA-O 3.49Å; Y241-K251 VanDerWaalsContact CB-O 3.29Å; Y241-K251 WeakPolarHBondContact CB-O 3.46Å
242	C	79.2	Confident	67.7	Low	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.4	166.5	78.3	0	0	0	0	110.5	I193 S215 S221 I250 K251 W253	I193-C242 HydrophobicContact CD1-CB 4.03Å; I193-C242 HydrophobicContact CG1-CB 3.97Å; S215-C242 WeakPolarHBondContact CB-SG 3.44Å; S221-C242 CarbonylContact O-C 3.41Å; S221-C242 WeakPolarHBondContact O-CA 3.45Å; S221-C242 WeakPolarHBondContact O-CB 3.21Å; C242-I250 WeakPolarHBondContact O-CA 3.5Å; C242-K251 PolarHBondContact N-O 2.81Å; C242-K251 PolarHBondContact O-N 3.19Å; C242-W253 HydrophobicContact CB-CZ3 4.16Å; C242-W253 VanDerWaalsContact SG-CH2 3.55Å
243	T	78.3	Confident	69.4	Low	10 Å²	10	47.7 Å²	47.7	6%	0.061	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	149.4	167	69.6	0	0	0	0	109.6	A219 S220 S221 R247 N249 I250	A219-T243 CarbonylContact C-O 3.54Å; A219-T243 WeakPolarHBondContact CA-O 3.3Å; S220-T243 PolarHBondContact N-O 2.94Å; S220-T243 PolarHBondContact OG-O 3.34Å; S220-T243 PolarHBondContact OG-OG1 2.88Å; S221-T243 PolarHBondContact N-OG1 2.91Å; S221-T243 PolarHBondContact O-N 3.27Å; S221-T243 WeakPolarHBondContact OG-CG2 3.41Å; S221-T243 PolarHBondContact OG-OG1 2.78Å; T243-R247 HydrophobicContact CG2-CG 4.49Å; T243-N249 WeakPolarHBondContact CA-O 3.35Å; T243-I250 HydrophobicContact CG2-CG1 4.34Å
244	T	75	Confident	70.6	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.025	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	171	177.7	72.4	0	0	0	0	110.4	S217 V218 S220 M246 R247 N249	S217-T244 WeakPolarHBondContact OG-CG2 3.45Å; V218-T244 CarbonylContact O-C 3.54Å; V218-T244 VanDerWaalsContact O-CA 3.24Å; V218-T244 WeakPolarHBondContact O-CA 3.32Å; S220-T244 VanDerWaalsContact OG-C 3.32Å; S220-T244 PolarHBondContact OG-O 2.78Å; T244-M246 PolarHBondContact O-N 2.75Å; T244-R247 WeakPolarHBondContact O-CA 3.26Å; T244-R247 PolarHBondContact O-N 3.38Å; T244-N249 HydrophobicContact CG2-CB 4.27Å; T244-N249 PolarHBondContact N-O 3.44Å; T244-N249 WeakPolarHBondContact OG1-CB 3.49Å
245	T	66.8	Low	70.9	Confident	77 Å²	77	41.6 Å²	41.6	47%	0.472	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-37.1	131.1	-177.3	-22.4	0	0	0	0	114.6	V218 R247 S248	V218-T245 WeakPolarHBondContact CB-OG1 3.49Å; V218-T245 PolarHBondContact O-N 3.13Å; V218-T245 VanDerWaalsContact O-N 3.08Å; T245-R247 PolarHBondContact O-N 3.04Å; T245-S248 PolarHBondContact O-OG 3.44Å
246	M	56.7	Low	70.5	Confident	176 Å²	176	43.2 Å²	43.2	87%	0.867	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	59.3	18.6	-170.8	-55.2	-148.8	-64	0	0	115.2	T244 S248	T244-M246 PolarHBondContact O-N 2.75Å; M246-S248 PolarHBondContact O-N 2.89Å
247	R	55.4	Low	69.7	Low	80 Å²	80	44.6 Å²	44.6	30%	0.302	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	52.7	26.6	-178.9	-63.3	157.2	173.1	-102.4	-9.8	113	L8 T243 T244 T245 N249	L8-R247 VanDerWaalsContact CG-NH2 3.32Å; T243-R247 HydrophobicContact CG2-CG 4.49Å; T244-R247 WeakPolarHBondContact O-CA 3.26Å; T244-R247 PolarHBondContact O-N 3.38Å; T245-R247 PolarHBondContact O-N 3.04Å; R247-N249 VanDerWaalsContact C-N 3.33Å
248	S	56.3	Low	68.7	Low	51 Å²	51	48.9 Å²	48.9	36%	0.357	27%	0.267	S	S	.	.			trans	-74	-28.9	-172.9	52.7	0	0	0	0	112	T245 M246 N321	T245-S248 PolarHBondContact O-OG 3.44Å; M246-S248 PolarHBondContact O-N 2.89Å; S248-N321 PolarHBondContact O-ND2 2.62Å
249	N	64.4	Low	67.9	Low	90 Å²	90	48.5 Å²	48.5	48%	0.481	26%	0.264	S	S	.	.			trans	-125.8	147.8	175.8	-55.9	-58.1	0	0	0	110.7	T243 T244 R247	T243-N249 WeakPolarHBondContact CA-O 3.35Å; T244-N249 HydrophobicContact CG2-CB 4.27Å; T244-N249 PolarHBondContact N-O 3.44Å; T244-N249 WeakPolarHBondContact OG1-CB 3.49Å; R247-N249 VanDerWaalsContact C-N 3.33Å
250	I	72.4	Confident	67	Low	43 Å²	43	50.6 Å²	50.6	22%	0.221	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.1	171	-48.5	176.4	0	0	0	107.3	Y241 C242 T243 N321 I323	Y241-I250 HydrophobicContact CD2-CG2 4.07Å; Y241-I250 HydrophobicContact CG-CG2 4.46Å; C242-I250 WeakPolarHBondContact O-CA 3.5Å; T243-I250 HydrophobicContact CG2-CG1 4.34Å; I250-N321 HydrophobicContact CD1-CB 4.09Å; I250-I323 HydrophobicContact CB-CD1 3.9Å; I250-I323 HydrophobicContact CD1-CD1 4.18Å; I250-I323 HydrophobicContact CG2-CD1 3.36Å
251	K	72	Confident	65.7	Low	47 Å²	47	56.3 Å²	56.3	20%	0.204	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.7	169.9	-70.2	-175.6	165.5	-167.3	0	108.1	S215 E216 Y241 C242 W253	S215-K251 VanDerWaalsContact C-NZ 3.27Å; S215-K251 WeakPolarHBondContact O-CD 3.04Å; S215-K251 VanDerWaalsContact O-CE 3.24Å; S215-K251 WeakPolarHBondContact O-CE 3.5Å; S215-K251 PolarHBondContact O-NZ 2.88Å; E216-K251 IonicContact OE2-NZ 2.71Å; E216-K251 PolarHBondContact OE2-NZ 3.48Å; Y241-K251 CarbonylContact C-O 3.51Å; Y241-K251 WeakPolarHBondContact CA-O 3.49Å; Y241-K251 VanDerWaalsContact CB-O 3.29Å; Y241-K251 WeakPolarHBondContact CB-O 3.46Å; C242-K251 PolarHBondContact N-O 2.81Å; C242-K251 PolarHBondContact O-N 3.19Å; K251-W253 HydrophobicContact CB-CH2 3.5Å; K251-W253 VanDerWaalsContact CB-CH2 3.5Å; K251-W253 HydrophobicContact CB-CZ2 3.9Å; K251-W253 HydrophobicContact CB-CZ3 3.94Å; K251-W253 HydrophobicContact CD-CH2 4.29Å; K251-W253 HydrophobicContact CD-CZ2 4.27Å
252	A	76.2	Confident	63.5	Low	25 Å²	25	59.6 Å²	59.6	21%	0.207	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.2	-179.3	0	0	0	0	0	109.8	L225 V240 F333	L225-A252 HydrophobicContact CD1-CB 3.94Å; V240-A252 CarbonylContact O-C 3.59Å; V240-A252 VanDerWaalsContact O-CA 3.29Å; V240-A252 WeakPolarHBondContact O-CA 3.45Å; A252-F333 HydrophobicContact CB-CD1 3.99Å; A252-F333 HydrophobicContact CB-CE1 3.72Å; A252-F333 HydrophobicContact CB-CZ 4.13Å
253	W	78.5	Confident	61.1	Low	54 Å²	54	66.7 Å²	66.7	21%	0.205	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.3	176.7	-60.8	-91.1	0	0	0	108.9	I193 F213 N214 G239 V240 C242 K251	I193-W253 HydrophobicContact CD1-CH2 3.88Å; I193-W253 HydrophobicContact CD1-CZ3 4.16Å; F213-W253 HydrophobicContact CB-CD2 3.95Å; F213-W253 HydrophobicContact CB-CE3 4.17Å; F213-W253 HydrophobicContact CB-CG 4.47Å; F213-W253 HydrophobicContact CB-CH2 4.27Å; F213-W253 HydrophobicContact CB-CZ2 4.08Å; F213-W253 HydrophobicContact CB-CZ3 4.33Å; F213-W253 HydrophobicContact CD1-CB 3.75Å; F213-W253 AromaticContact CD1-CD1 3.75Å; F213-W253 AromaticContact CD1-CD2 3.85Å; F213-W253 HydrophobicContact CD1-CD2 3.85Å; F213-W253 HydrophobicContact CD1-CE3 4.48Å; F213-W253 AromaticContact CD1-CG 3.49Å; F213-W253 HydrophobicContact CD1-CG 3.49Å; F213-W253 VanDerWaalsContact CD1-CG 3.49Å; F213-W253 HydrophobicContact CE1-CB 3.69Å; F213-W253 AromaticContact CE1-CG 3.98Å; F213-W253 HydrophobicContact CE1-CG 3.98Å; F213-W253 HydrophobicContact CG-CD2 4.04Å; F213-W253 HydrophobicContact CG-CE3 4.29Å; F213-W253 HydrophobicContact CG-CG 4.16Å; F213-W253 HydrophobicContact CZ-CB 4.49Å; N214-W253 WeakPolarHBondContact O-CZ2 3.14Å; G239-W253 CarbonylContact C-O 3.54Å; G239-W253 WeakPolarHBondContact CA-O 3.18Å; V240-W253 HydrophobicContact CG2-CB 4.18Å; V240-W253 HydrophobicContact CG2-CE3 4.42Å; V240-W253 PolarHBondContact N-O 2.93Å; V240-W253 PolarHBondContact O-N 2.91Å; C242-W253 HydrophobicContact CB-CZ3 4.16Å; C242-W253 VanDerWaalsContact SG-CH2 3.55Å; K251-W253 HydrophobicContact CB-CH2 3.5Å; K251-W253 VanDerWaalsContact CB-CH2 3.5Å; K251-W253 HydrophobicContact CB-CZ2 3.9Å; K251-W253 HydrophobicContact CB-CZ3 3.94Å; K251-W253 HydrophobicContact CD-CH2 4.29Å; K251-W253 HydrophobicContact CD-CZ2 4.27Å
254	P	73.9	Confident	58.7	Low	44 Å²	44	72.6 Å²	72.6	29%	0.286	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	145.8	173.1	31.7	-34.2	0	0	0	110	S330 F333	P254-S330 WeakPolarHBondContact CB-O 2.97Å; P254-S330 WeakPolarHBondContact CG-O 3.37Å; P254-F333 HydrophobicContact CB-CZ 4.34Å
255	I	68.4	Low	56.5	Low	6 Å²	6	79.9 Å²	79.9	3%	0.031	43%	0.431	C	S	.	.			trans	-97.9	112.5	169.9	-72.9	177.6	0	0	0	105.8	L195 W224 V238 V240 M259 L260	L195-I255 HydrophobicContact CD2-CD1 4.35Å; W224-I255 HydrophobicContact CE3-CD1 4Å; W224-I255 HydrophobicContact CZ3-CD1 3.53Å; V238-I255 PolarHBondContact O-N 3.35Å; V240-I255 HydrophobicContact CG1-CD1 3.62Å; V240-I255 HydrophobicContact CG1-CG1 4.4Å; I255-M259 HydrophobicContact CB-SD 4.32Å; I255-M259 HydrophobicContact CG2-CB 3.55Å; I255-M259 HydrophobicContact CG2-CG 4.15Å; I255-M259 HydrophobicContact CG2-SD 3.92Å; I255-L260 HydrophobicContact CG2-CD2 4.43Å; I255-L260 HydrophobicContact CG2-CG 4.28Å
256	H	60	Low	54.6	Low	97 Å²	97	82 Å²	82	45%	0.449	44%	0.444	S	S	.	.			trans	-61.7	144.5	179.5	-175.2	-95	0	0	0	109.8	S258 M259	H256-S258 VanDerWaalsContact ND1-CB 3.32Å; H256-S258 WeakPolarHBondContact ND1-CB 3.29Å; H256-S258 PolarHBondContact ND1-N 2.82Å; H256-S258 VanDerWaalsContact ND1-N 3.13Å; H256-S258 PolarHBondContact ND1-OG 2.82Å; H256-S258 PolarHBondContact O-N 2.87Å; H256-M259 HydrophobicContact CB-CE 3.93Å; H256-M259 HydrophobicContact CB-CG 3.96Å; H256-M259 HydrophobicContact CB-SD 4.31Å; H256-M259 PolarHBondContact N-SD 2.95Å; H256-M259 VanDerWaalsContact N-SD 3.44Å; H256-M259 WeakPolarHBondContact O-CA 3.29Å; H256-M259 WeakPolarHBondContact O-CB 3.37Å; H256-M259 WeakPolarHBondContact O-CG 3.39Å; H256-M259 PolarHBondContact O-N 2.83Å
257	P	54.7	Low	53.2	Low	82 Å²	82	82.2 Å²	82.2	53%	0.532	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-56.6	-25.4	179.7	-28.2	35.3	0	0	0	114.7	M259 L260	P257-M259 PolarHBondContact O-N 2.89Å; P257-L260 CarbonylContact O-C 3.46Å; P257-L260 WeakPolarHBondContact O-CA 3.11Å; P257-L260 WeakPolarHBondContact O-CB 3.12Å; P257-L260 PolarHBondContact O-N 3.08Å
258	S	50.7	Low	51.7	Low	89 Å²	89	87 Å²	87	62%	0.622	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-67.9	-16.9	172.4	70.5	0	0	0	0	113.9	H256 L260	H256-S258 VanDerWaalsContact ND1-CB 3.32Å; H256-S258 WeakPolarHBondContact ND1-CB 3.29Å; H256-S258 PolarHBondContact ND1-N 2.82Å; H256-S258 VanDerWaalsContact ND1-N 3.13Å; H256-S258 PolarHBondContact ND1-OG 2.82Å; H256-S258 PolarHBondContact O-N 2.87Å; S258-L260 VanDerWaalsContact C-N 3.32Å
259	M	54.7	Low	50.6	Low	33 Å²	33	93.4 Å²	93.4	16%	0.163	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-83.9	-13.9	171.9	-44	-172.1	173.6	0	0	111.5	Y211 I255 H256 P257	Y211-M259 HydrophobicContact CD1-CE 3.86Å; Y211-M259 HydrophobicContact CD1-SD 4.26Å; Y211-M259 HydrophobicContact CD2-CE 4.44Å; Y211-M259 HydrophobicContact CD2-CG 4.43Å; Y211-M259 HydrophobicContact CD2-SD 3.77Å; Y211-M259 HydrophobicContact CE1-CE 3.34Å; Y211-M259 HydrophobicContact CE1-CG 4.39Å; Y211-M259 HydrophobicContact CE1-SD 3.9Å; Y211-M259 HydrophobicContact CE2-CB 3.76Å; Y211-M259 HydrophobicContact CE2-CE 3.99Å; Y211-M259 HydrophobicContact CE2-CG 3.48Å; Y211-M259 VanDerWaalsContact CE2-CG 3.48Å; Y211-M259 HydrophobicContact CE2-SD 3.36Å; Y211-M259 WeakPolarHBondContact CE2-SD 3.34Å; Y211-M259 HydrophobicContact CG-CE 4.4Å; Y211-M259 HydrophobicContact CG-SD 4.22Å; Y211-M259 VanDerWaalsContact CZ-CE 3.44Å; Y211-M259 VanDerWaalsContact CZ-CG 3.47Å; Y211-M259 VanDerWaalsContact OH-CG 3.32Å; Y211-M259 WeakPolarHBondContact OH-CG 3.19Å; I255-M259 HydrophobicContact CB-SD 4.32Å; I255-M259 HydrophobicContact CG2-CB 3.55Å; I255-M259 HydrophobicContact CG2-CG 4.15Å; I255-M259 HydrophobicContact CG2-SD 3.92Å; H256-M259 HydrophobicContact CB-CE 3.93Å; H256-M259 HydrophobicContact CB-CG 3.96Å; H256-M259 HydrophobicContact CB-SD 4.31Å; H256-M259 PolarHBondContact N-SD 2.95Å; H256-M259 VanDerWaalsContact N-SD 3.44Å; H256-M259 WeakPolarHBondContact O-CA 3.29Å; H256-M259 WeakPolarHBondContact O-CB 3.37Å; H256-M259 WeakPolarHBondContact O-CG 3.39Å; H256-M259 PolarHBondContact O-N 2.83Å; P257-M259 PolarHBondContact O-N 2.89Å
260	L	53.3	Low	48.8	Very low	45 Å²	45	97.3 Å²	97.3	24%	0.236	51%	0.514	C	S	.	.	S	Bend	trans	-92.4	132.3	170.9	-61.2	166	0	0	0	107.1	A237 I255 P257 S258 S262	A237-L260 WeakPolarHBondContact O-CD1 3.24Å; I255-L260 HydrophobicContact CG2-CD2 4.43Å; I255-L260 HydrophobicContact CG2-CG 4.28Å; P257-L260 CarbonylContact O-C 3.46Å; P257-L260 WeakPolarHBondContact O-CA 3.11Å; P257-L260 WeakPolarHBondContact O-CB 3.12Å; P257-L260 PolarHBondContact O-N 3.08Å; S258-L260 VanDerWaalsContact C-N 3.32Å; L260-S262 PolarHBondContact O-N 2.71Å; L260-S262 VanDerWaalsContact O-N 3.08Å
261	H	52.6	Low	47	Very low	120 Å²	120	100.8 Å²	100.8	56%	0.556	54%	0.542	S	S	*	.			trans	-54.7	121	-175.7	-148.5	80.8	0	0	0	110.3	Y181 N263	Y181-H261 HydrophobicContact CD1-CB 4.16Å; Y181-H261 AromaticContact CD2-ND1 3.64Å; Y181-H261 HydrophobicContact CE1-CB 4.04Å; Y181-H261 AromaticContact CE2-ND1 3.45Å; Y181-H261 WeakPolarHBondContact CE2-ND1 3.32Å; Y181-H261 HydrophobicContact CG-CB 4.48Å; Y181-H261 AromaticContact CZ-ND1 3.83Å; H261-N263 PolarHBondContact O-N 3.04Å; H261-N263 VanDerWaalsContact O-N 3.13Å
262	S	33.2	Very low	44.9	Very low	79 Å²	79	108.1 Å²	108.1	55%	0.552	57%	0.574	S	S	*	*			trans	-68	109.6	166.9	56.1	0	0	0	0	107.2	L260 N264	L260-S262 PolarHBondContact O-N 2.71Å; L260-S262 VanDerWaalsContact O-N 3.08Å; S262-N264 PolarHBondContact O-N 3.39Å
263	N	29.5	Very low	42.8	Very low	149 Å²	149	115.4 Å²	115.4	80%	0.797	60%	0.604	S	S	*	*			trans	-66	69.5	161.2	-80.5	-23.7	0	0	0	108.9	H261 I265	H261-N263 PolarHBondContact O-N 3.04Å; H261-N263 VanDerWaalsContact O-N 3.13Å; N263-I265 PolarHBondContact O-N 3.05Å
264	N	27.8	Very low	40.6	Very low	134 Å²	134	119.9 Å²	119.9	72%	0.717	63%	0.632	S	S	*	*			trans	-90.3	93.9	168.5	-79.9	-7.4	0	0	0	107.5	S262 V266	S262-N264 PolarHBondContact O-N 3.39Å; N264-V266 PolarHBondContact O-N 3.24Å
265	I	29.3	Very low	38.5	Very low	157 Å²	157	128.1 Å²	128.1	81%	0.805	66%	0.663	S	S	*	*			trans	-46.3	124.8	149.9	-67.9	170.2	0	0	0	106.8	N263 E267	N263-I265 PolarHBondContact O-N 3.05Å; I265-E267 PolarHBondContact O-N 2.94Å; I265-E267 VanDerWaalsContact O-N 3.1Å
266	V	25.7	Very low	36.7	Very low	122 Å²	122	136.5 Å²	136.5	74%	0.739	70%	0.702	S	S	*	*			trans	-51.5	110.7	177.7	177.1	0	0	0	0	110.1	N264 E268	N264-V266 PolarHBondContact O-N 3.24Å; V266-E268 HydrophobicContact CG1-CG 4.5Å
267	E	27.7	Very low	35.2	Very low	180 Å²	180	136.1 Å²	136.1	84%	0.841	72%	0.716	S	S	*	*			trans	-123.5	110	147.7	-72.1	-167	168.3	0	0	107.2	I265 E269	I265-E267 PolarHBondContact O-N 2.94Å; I265-E267 VanDerWaalsContact O-N 3.1Å; E267-E269 PolarHBondContact O-N 3.27Å; E267-E269 VanDerWaalsContact O-N 3.12Å
268	E	25.4	Very low	34	Very low	181 Å²	181	142.5 Å²	142.5	85%	0.846	74%	0.735	S	S	*	*			trans	-60.8	105.6	170.8	-72.4	179.8	143.5	0	0	109.3	V266	V266-E268 HydrophobicContact CG1-CG 4.5Å
269	E	32	Very low	32.7	Very low	185 Å²	185	144.2 Å²	144.2	86%	0.864	74%	0.742	S	S	*	*			trans	-127.5	118.2	153.9	-74.3	-157.3	158	0	0	111	E267 S271	E267-E269 PolarHBondContact O-N 3.27Å; E267-E269 VanDerWaalsContact O-N 3.12Å; E269-S271 PolarHBondContact O-N 2.78Å
270	N	26.2	Very low	31.8	Very low	172 Å²	172	148.9 Å²	148.9	92%	0.92	77%	0.767	S	S	*	*			trans	-63.9	114.8	175	-76.3	-65.1	0	0	0	110.9
271	S	34.2	Very low	31.2	Very low	115 Å²	115	149.3 Å²	149.3	80%	0.804	77%	0.773	S	S	*	*			trans	-145.6	116	152.4	57.6	0	0	0	0	110.8	E269	E269-S271 PolarHBondContact O-N 2.78Å
272	K	29.1	Very low	30.6	Very low	201 Å²	201	150.7 Å²	150.7	87%	0.874	78%	0.78	S	S	*	*			trans	-67.5	129.1	165.4	-67.4	171.3	175.7	175.8	0	107.9
273	E	32.7	Very low	31.1	Very low	179 Å²	179	154.7 Å²	154.7	84%	0.836	79%	0.788	S	S	*	*			trans	-168.2	111.5	147.6	-106.2	157	-151.5	0	0	111.2
274	D	31.1	Very low	31.6	Very low	148 Å²	148	151.3 Å²	151.3	79%	0.791	77%	0.77	S	S	*	*			trans	55.3	111.3	138.1	-55.3	-17.3	0	0	0	122	E276	D274-E276 PolarHBondContact O-N 3.02Å
275	K	30.3	Very low	32.2	Very low	217 Å²	217	150.7 Å²	150.7	94%	0.943	76%	0.762	S	S	*	*			trans	-74.2	102.5	165	-67	178.9	176.4	-176.9	0	109.8
276	E	29.8	Very low	32.8	Very low	182 Å²	182	150 Å²	150	85%	0.85	75%	0.753	S	S	*	*			trans	-103.1	112.8	158.7	-73.2	-167.3	160.8	0	0	109.6	D274 F278	D274-E276 PolarHBondContact O-N 3.02Å; E276-F278 PolarHBondContact O-N 2.84Å
277	A	28.6	Very low	33.7	Very low	89 Å²	89	148.7 Å²	148.7	74%	0.736	74%	0.739	S	S	*	*			trans	-70.1	121.7	171.8	0	0	0	0	0	109.2	T279	A277-T279 PolarHBondContact O-N 3.37Å
278	F	29	Very low	34.2	Very low	216 Å²	216	145.9 Å²	145.9	95%	0.947	73%	0.73	S	S	*	*			trans	-69.3	97.3	172.2	-109.4	-96.7	0	0	0	109.7	E276	E276-F278 PolarHBondContact O-N 2.84Å
279	T	25.2	Very low	34.9	Very low	124 Å²	124	141.9 Å²	141.9	76%	0.761	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-93.6	118	163.1	41.1	0	0	0	0	109.1	A277 S281	A277-T279 PolarHBondContact O-N 3.37Å; T279-S281 PolarHBondContact O-N 3.35Å
280	L	34.7	Very low	35.4	Very low	132 Å²	132	140 Å²	140	69%	0.691	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-54.4	133.2	168.3	-94.6	140.4	0	0	0	109.6	D284	L280-D284 HydrophobicContact CD2-CB 3.78Å
281	S	40.1	Very low	36.1	Very low	53 Å²	53	138 Å²	138	37%	0.371	69%	0.692	S	S	.	*	P	Polyproline II helix	trans	-71.9	146.6	177.9	82.9	0	0	0	0	110.1	T279 K283 D284 E285	T279-S281 PolarHBondContact O-N 3.35Å; S281-K283 PolarHBondContact O-N 3.44Å; S281-D284 WeakPolarHBondContact CB-OD2 3.32Å; S281-D284 PolarHBondContact O-N 3.06Å; S281-D284 PolarHBondContact OG-N 2.8Å; S281-D284 PolarHBondContact OG-OD2 3.32Å; S281-E285 PolarHBondContact O-N 3.29Å
282	E	40.4	Very low	36.2	Very low	150 Å²	150	135.1 Å²	135.1	70%	0.701	67%	0.67	S	S	*	*	H	α-helix	trans	-54.3	-19.5	175.1	-76.9	-171.9	161.1	0	0	113.3	K286	E282-K286 WeakPolarHBondContact O-CG 3.22Å; E282-K286 PolarHBondContact O-N 2.88Å
283	K	44.8	Very low	36.7	Very low	162 Å²	162	135.1 Å²	135.1	70%	0.704	66%	0.664	S	S	*	*	H	α-helix	trans	-76.9	-38.5	178.3	-156.9	178.9	-179.7	-172.7	0	111.4	S281 K286 E287	S281-K283 PolarHBondContact O-N 3.44Å; K283-K286 PolarHBondContact O-N 3.3Å; K283-E287 PolarHBondContact O-N 2.84Å; K283-E287 VanDerWaalsContact O-N 3.1Å
284	D	38.7	Very low	36.9	Very low	79 Å²	79	131.9 Å²	131.9	42%	0.422	65%	0.652	S	S	.	*	H	α-helix	trans	-73.7	-37.8	179.2	-55.4	-41.6	0	0	0	110.9	L280 S281 E287 L288	L280-D284 HydrophobicContact CD2-CB 3.78Å; S281-D284 WeakPolarHBondContact CB-OD2 3.32Å; S281-D284 PolarHBondContact O-N 3.06Å; S281-D284 PolarHBondContact OG-N 2.8Å; S281-D284 PolarHBondContact OG-OD2 3.32Å; D284-E287 PolarHBondContact O-N 2.89Å; D284-L288 WeakPolarHBondContact O-CB 3.46Å; D284-L288 PolarHBondContact O-N 3.25Å
285	E	40.6	Very low	37	Very low	120 Å²	120	131.1 Å²	131.1	56%	0.561	64%	0.638	S	S	*	*	H	α-helix	trans	-60.7	-43.6	171.3	-94	-169.4	152.7	0	0	112.4	S281 L288 T289	S281-E285 PolarHBondContact O-N 3.29Å; E285-L288 PolarHBondContact O-N 2.99Å; E285-T289 WeakPolarHBondContact O-CB 3.21Å; E285-T289 PolarHBondContact O-N 3.27Å; E285-T289 PolarHBondContact O-OG1 3.17Å
286	K	43.2	Very low	37.1	Very low	142 Å²	142	124.9 Å²	124.9	62%	0.617	62%	0.615	S	S	*	*	H	α-helix	trans	-66.1	-40.3	178.6	-82.8	175.7	179.9	163.6	0	112.3	E282 K283 T289 E290	E282-K286 WeakPolarHBondContact O-CG 3.22Å; E282-K286 PolarHBondContact O-N 2.88Å; K283-K286 PolarHBondContact O-N 3.3Å; K286-T289 PolarHBondContact O-N 3.18Å; K286-E290 PolarHBondContact O-N 2.99Å
287	E	43.6	Very low	37.3	Very low	95 Å²	95	119.5 Å²	119.5	44%	0.444	60%	0.597	S	S	.	*	H	α-helix	trans	-68.8	-38.5	179.1	-158.3	-176.7	147.2	0	0	111.8	K283 D284 K291	K283-E287 PolarHBondContact O-N 2.84Å; K283-E287 VanDerWaalsContact O-N 3.1Å; D284-E287 PolarHBondContact O-N 2.89Å; E287-K291 HydrophobicContact CG-CD 4.47Å; E287-K291 WeakPolarHBondContact O-CB 3.49Å; E287-K291 WeakPolarHBondContact O-CG 2.96Å; E287-K291 PolarHBondContact O-N 3.44Å; E287-K291 IonicContact OE1-NZ 2.71Å; E287-K291 PolarHBondContact OE1-NZ 3.08Å
288	L	37.4	Very low	37.6	Very low	122 Å²	122	122.8 Å²	122.8	64%	0.639	60%	0.595	S	S	*	*	H	α-helix	trans	-63	-45.3	173.2	-152.1	82.8	0	0	0	110.8	D284 E285 E290 K291 T292	D284-L288 WeakPolarHBondContact O-CB 3.46Å; D284-L288 PolarHBondContact O-N 3.25Å; E285-L288 PolarHBondContact O-N 2.99Å; L288-E290 PolarHBondContact O-N 3.46Å; L288-K291 PolarHBondContact O-N 3.04Å; L288-T292 PolarHBondContact O-N 3.39Å; L288-T292 PolarHBondContact O-OG1 3.37Å
289	T	41.2	Very low	37.8	Very low	96 Å²	96	119.7 Å²	119.7	59%	0.589	58%	0.582	S	S	*	*	H	α-helix	trans	-64.7	-39.8	179.8	-50.6	0	0	0	0	112.5	E285 K286 R293	E285-T289 WeakPolarHBondContact O-CB 3.21Å; E285-T289 PolarHBondContact O-N 3.27Å; E285-T289 PolarHBondContact O-OG1 3.17Å; K286-T289 PolarHBondContact O-N 3.18Å; T289-R293 WeakPolarHBondContact O-CB 3.46Å; T289-R293 PolarHBondContact O-N 3.31Å
290	E	43.4	Very low	37.9	Very low	147 Å²	147	119.7 Å²	119.7	69%	0.687	58%	0.577	S	S	*	*	H	α-helix	trans	-67.8	-39.7	175	-83.4	-168	157.6	0	0	112.4	K286 L288 R293 L294	K286-E290 PolarHBondContact O-N 2.99Å; L288-E290 PolarHBondContact O-N 3.46Å; E290-R293 PolarHBondContact O-N 3.2Å; E290-L294 WeakPolarHBondContact O-CB 3.46Å; E290-L294 PolarHBondContact O-N 2.72Å
291	K	40.3	Very low	37.9	Very low	128 Å²	128	119.5 Å²	119.5	56%	0.557	58%	0.581	S	S	*	*	H	α-helix	trans	-64.1	-42.6	175.8	-79	170.3	171.3	163.2	0	111.6	E287 L288 L294 W295	E287-K291 HydrophobicContact CG-CD 4.47Å; E287-K291 WeakPolarHBondContact O-CB 3.49Å; E287-K291 WeakPolarHBondContact O-CG 2.96Å; E287-K291 PolarHBondContact O-N 3.44Å; E287-K291 IonicContact OE1-NZ 2.71Å; E287-K291 PolarHBondContact OE1-NZ 3.08Å; L288-K291 PolarHBondContact O-N 3.04Å; K291-L294 PolarHBondContact O-N 2.71Å; K291-W295 WeakPolarHBondContact O-CB 3.5Å; K291-W295 PolarHBondContact O-N 2.72Å
292	T	37	Very low	37.4	Very low	55 Å²	55	124 Å²	124	34%	0.337	60%	0.601	S	S	.	*	H	α-helix	trans	-65	-38.6	174.5	-51.2	0	0	0	0	111.9	L288 W295 N296	L288-T292 PolarHBondContact O-N 3.39Å; L288-T292 PolarHBondContact O-OG1 3.37Å; T292-W295 WeakPolarHBondContact O-CB 3.43Å; T292-W295 PolarHBondContact O-N 3.4Å; T292-N296 PolarHBondContact O-N 2.85Å; T292-N296 PolarHBondContact O-ND2 3.41Å
293	R	38.5	Very low	36.8	Very low	202 Å²	202	125.1 Å²	125.1	76%	0.762	61%	0.612	S	S	*	*	H	α-helix	trans	-67.7	-39.6	176.1	-171	179.5	171.5	171.3	-1.4	112.7	T289 E290 W295 N296 S297	T289-R293 WeakPolarHBondContact O-CB 3.46Å; T289-R293 PolarHBondContact O-N 3.31Å; E290-R293 PolarHBondContact O-N 3.2Å; R293-W295 VanDerWaalsContact C-N 3.31Å; R293-N296 PolarHBondContact O-N 3.07Å; R293-S297 PolarHBondContact O-N 3.4Å; R293-S297 VanDerWaalsContact O-N 3.09Å
294	L	37.6	Very low	36.1	Very low	111 Å²	111	124.9 Å²	124.9	58%	0.581	61%	0.613	S	S	*	*	H	α-helix	trans	-65.9	-37	175.9	-164.2	76.1	0	0	0	111.1	E290 K291 S297 K298	E290-L294 WeakPolarHBondContact O-CB 3.46Å; E290-L294 PolarHBondContact O-N 2.72Å; K291-L294 PolarHBondContact O-N 2.71Å; L294-S297 PolarHBondContact O-N 3.14Å; L294-S297 PolarHBondContact O-OG 2.83Å; L294-K298 PolarHBondContact O-N 3.39Å
295	W	31.9	Very low	35.7	Very low	132 Å²	132	126.8 Å²	126.8	50%	0.5	62%	0.623	S	S	.	*	H	α-helix	trans	-62.8	-48.1	174.5	-168.7	73.5	0	0	0	111.6	K291 T292 R293 S297 K298 F299	K291-W295 WeakPolarHBondContact O-CB 3.5Å; K291-W295 PolarHBondContact O-N 2.72Å; T292-W295 WeakPolarHBondContact O-CB 3.43Å; T292-W295 PolarHBondContact O-N 3.4Å; R293-W295 VanDerWaalsContact C-N 3.31Å; W295-S297 PolarHBondContact O-N 3.31Å; W295-K298 PolarHBondContact O-N 2.71Å; W295-F299 AromaticContact CE2-CE2 3.94Å; W295-F299 HydrophobicContact CZ2-CE2 4.16Å; W295-F299 AromaticContact NE1-CE2 3.91Å
296	N	33.4	Very low	35.2	Very low	85 Å²	85	127.1 Å²	127.1	46%	0.455	63%	0.629	S	S	.	*	H	α-helix	trans	-64.1	-25.4	175.6	-71.4	-25.4	0	0	0	113.7	T292 R293	T292-N296 PolarHBondContact O-N 2.85Å; T292-N296 PolarHBondContact O-ND2 3.41Å; R293-N296 PolarHBondContact O-N 3.07Å
297	S	34.6	Very low	34.5	Very low	69 Å²	69	126.5 Å²	126.5	48%	0.483	63%	0.632	S	S	.	*	H	α-helix	trans	-75.9	-23.5	177.3	79.7	0	0	0	0	113.9	R293 L294 W295	R293-S297 PolarHBondContact O-N 3.4Å; R293-S297 VanDerWaalsContact O-N 3.09Å; L294-S297 PolarHBondContact O-N 3.14Å; L294-S297 PolarHBondContact O-OG 2.83Å; W295-S297 PolarHBondContact O-N 3.31Å
298	K	34.1	Very low	33.9	Very low	159 Å²	159	128.7 Å²	128.7	69%	0.691	65%	0.647	S	S	*	*	H	α-helix	trans	-80.1	-19.9	179	-76.5	-174.1	175.9	-177	0	113.6	L294 W295	L294-K298 PolarHBondContact O-N 3.39Å; W295-K298 PolarHBondContact O-N 2.71Å
299	F	33.4	Very low	33.5	Very low	151 Å²	151	129.8 Å²	129.8	66%	0.662	65%	0.654	S	S	*	*	H	α-helix	trans	-95	-10.5	176.7	-75.3	-80.4	0	0	0	113.8	W295 T301	W295-F299 AromaticContact CE2-CE2 3.94Å; W295-F299 HydrophobicContact CZ2-CE2 4.16Å; W295-F299 AromaticContact NE1-CE2 3.91Å; F299-T301 PolarHBondContact O-N 3.47Å
300	N	27.9	Very low	32.9	Very low	124 Å²	124	132.8 Å²	132.8	66%	0.663	67%	0.666	S	S	*	*			trans	-96.8	67.9	173.4	-90.9	-21.8	0	0	0	111	N302	N300-N302 PolarHBondContact O-N 2.94Å
301	T	33.2	Very low	32.1	Very low	127 Å²	127	133.6 Å²	133.6	78%	0.779	68%	0.675	S	S	*	*			trans	-79.8	100.1	160.4	47.4	0	0	0	0	108.8	F299 N303	F299-T301 PolarHBondContact O-N 3.47Å; T301-N303 PolarHBondContact O-N 3.24Å
302	N	29.5	Very low	31.5	Very low	149 Å²	149	136.2 Å²	136.2	80%	0.797	69%	0.69	S	S	*	*			trans	-45.9	119.1	170.2	-71.5	-40.9	0	0	0	112	N300 H304	N300-N302 PolarHBondContact O-N 2.94Å; N302-H304 PolarHBondContact O-N 2.91Å
303	N	28.5	Very low	30.9	Very low	173 Å²	173	140.9 Å²	140.9	93%	0.925	71%	0.711	S	S	*	*			trans	-74.9	104.4	159.4	-109	-7.7	0	0	0	108.2	T301	T301-N303 PolarHBondContact O-N 3.24Å
304	H	31.1	Very low	30.2	Very low	156 Å²	156	139.7 Å²	139.7	72%	0.722	72%	0.718	S	S	*	*			trans	-115.5	116.8	167.6	-130	-25.8	0	0	0	108.8	N302	N302-H304 PolarHBondContact O-N 2.91Å
305	N	29.6	Very low	29.6	Very low	120 Å²	120	142.9 Å²	142.9	64%	0.642	73%	0.728	S	S	*	*			trans	76.9	118.8	151.5	-59.3	-13.4	0	0	0	119.7
306	N	29.1	Very low	29.3	Very low	127 Å²	127	139.6 Å²	139.6	68%	0.679	73%	0.734	S	S	*	*				92.4	114.1	129.2	-70.6	17.8	0	0	0	119.3
307	D	29.2	Very low	28.9	Very low	128 Å²	128	143 Å²	143	68%	0.684	75%	0.746	S	S	*	*			trans	82.5	124.9	131.1	-54.5	-21.9	0	0	0	118.8
308	D	30.8	Very low	28.6	Very low	142 Å²	142	143.1 Å²	143.1	76%	0.759	74%	0.74	S	S	*	*			trans	83.5	109.4	150.3	-55.6	-21.1	0	0	0	119.2
309	D	28.8	Very low	28.2	Very low	145 Å²	145	141 Å²	141	78%	0.775	74%	0.736	S	S	*	*			trans	40.3	101	131.9	-66	-21.5	0	0	0	116.9
310	D	29.2	Very low	28	Very low	158 Å²	158	138.4 Å²	138.4	85%	0.845	73%	0.725	S	S	*	*				-174.9	138.4	117	-91.2	-30.6	0	0	0	112.5	E312	D310-E312 PolarHBondContact O-N 2.97Å; D310-E312 VanDerWaalsContact O-N 3.07Å
311	N	26.3	Very low	28.2	Very low	165 Å²	165	134.6 Å²	134.6	88%	0.882	70%	0.704	S	S	*	*			trans	-65.4	97.8	174.1	-72.1	-67.7	0	0	0	110.7
312	E	26.9	Very low	28.2	Very low	183 Å²	183	132.7 Å²	132.7	86%	0.855	69%	0.688	S	S	*	*			trans	-118	106.3	159.7	-78.7	-155.4	148.9	0	0	111.8	D310 L314	D310-E312 PolarHBondContact O-N 2.97Å; D310-E312 VanDerWaalsContact O-N 3.07Å; E312-L314 PolarHBondContact O-N 3.49Å
313	I	25.1	Very low	28.6	Very low	152 Å²	152	126.4 Å²	126.4	78%	0.779	65%	0.654	S	S	*	*			trans	-44.9	119.5	164.6	-65	160.7	0	0	0	109.2	K315	I313-K315 VanDerWaalsContact C-N 3.29Å; I313-K315 PolarHBondContact O-N 3.41Å
314	L	24.4	Very low	28.9	Very low	177 Å²	177	121.3 Å²	121.3	93%	0.927	63%	0.626	S	S	*	*			trans	-56.8	88.7	167.4	-81.7	153.1	0	0	0	109.9	E312 G316	E312-L314 PolarHBondContact O-N 3.49Å; L314-G316 PolarHBondContact O-N 2.67Å
315	K	24.3	Very low	29.1	Very low	179 Å²	179	115.3 Å²	115.3	78%	0.778	60%	0.599	S	S	*	*			trans	-70.1	116.9	166.7	-76.7	179.5	177.4	173.1	0	108.1	I313 K317	I313-K315 VanDerWaalsContact C-N 3.29Å; I313-K315 PolarHBondContact O-N 3.41Å; K315-K317 PolarHBondContact O-N 2.74Å
316	G	25.3	Very low	29.2	Very low	62 Å²	62	111.6 Å²	111.6	64%	0.639	58%	0.578	S	S	*	*			trans	-53.6	123.6	179.8	0	0	0	0	0	112.6	L314	L314-G316 PolarHBondContact O-N 2.67Å
317	K	24.7	Very low	29.5	Very low	158 Å²	158	109.3 Å²	109.3	69%	0.687	57%	0.572	S	S	*	*			trans	-104.2	110.2	169.4	-67.7	-178.4	179.3	-179.6	0	107	K315 L319	K315-K317 PolarHBondContact O-N 2.74Å; K317-L319 PolarHBondContact O-N 2.86Å
318	N	28.7	Very low	29.6	Very low	70 Å²	70	107.8 Å²	107.8	37%	0.374	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-70.2	119.4	174.7	-70	-26.8	0	0	0	109.5	F320 F383 L385	N318-F320 HydrophobicContact CB-CE2 4.33Å; N318-F383 PolarHBondContact ND2-O 3.43Å; N318-L385 PolarHBondContact ND2-N 3.39Å
319	L	26	Very low	29.7	Very low	116 Å²	116	102.2 Å²	102.2	61%	0.607	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-88.5	118.2	167.4	-74.3	149.8	0	0	0	107.6	K317	K317-L319 PolarHBondContact O-N 2.86Å
320	F	30.4	Very low	30	Very low	95 Å²	95	98 Å²	98	42%	0.417	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-92.9	125	166.5	-81.8	-96.4	0	0	0	108.5	N318 L385 M406	N318-F320 HydrophobicContact CB-CE2 4.33Å; F320-L385 HydrophobicContact CD1-CD2 4.18Å; F320-L385 HydrophobicContact CE1-CD1 4.38Å; F320-L385 HydrophobicContact CE1-CD2 3.19Å; F320-L385 HydrophobicContact CE1-CG 4.26Å; F320-L385 HydrophobicContact CE2-CD2 4.23Å; F320-L385 HydrophobicContact CZ-CB 4.06Å; F320-L385 HydrophobicContact CZ-CD1 3.92Å; F320-L385 HydrophobicContact CZ-CD2 3.21Å; F320-L385 HydrophobicContact CZ-CG 3.88Å; F320-M406 HydrophobicContact CE1-CE 3.73Å; F320-M406 HydrophobicContact CE2-CE 4.28Å; F320-M406 HydrophobicContact CZ-CE 3.28Å
321	N	31.7	Very low	30.2	Very low	44 Å²	44	95.1 Å²	95.1	24%	0.235	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	112.5	167.8	-68.7	-35.5	0	0	0	107.6	S248 I250 L335 L336	S248-N321 PolarHBondContact O-ND2 2.62Å; I250-N321 HydrophobicContact CD1-CB 4.09Å; N321-L335 HydrophobicContact CB-CD2 3.92Å; N321-L336 CarbonylContact C-O 3.53Å; N321-L336 VanDerWaalsContact CA-O 3.3Å; N321-L336 WeakPolarHBondContact CA-O 3.38Å
322	M	32.5	Very low	30.5	Very low	88 Å²	88	89.1 Å²	89.1	43%	0.433	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.2	172.4	-170.9	-172.2	-63	0	0	108.7	L335 L336	M322-L335 CarbonylContact O-C 3.6Å; M322-L335 WeakPolarHBondContact O-CA 3.24Å; M322-L336 HydrophobicContact CB-CB 4.09Å; M322-L336 HydrophobicContact CB-CD1 4.34Å; M322-L336 PolarHBondContact N-O 3.43Å; M322-L336 PolarHBondContact O-N 2.78Å; M322-L336 HydrophobicContact SD-CD1 3.85Å
323	I	37.2	Very low	30.8	Very low	17 Å²	17	82.7 Å²	82.7	9%	0.087	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.6	177	-62	179.1	0	0	0	109.3	I250 I325 F333 L334 L335	I250-I323 HydrophobicContact CB-CD1 3.9Å; I250-I323 HydrophobicContact CD1-CD1 4.18Å; I250-I323 HydrophobicContact CG2-CD1 3.36Å; I323-I325 HydrophobicContact CG2-CG1 4.1Å; I323-F333 HydrophobicContact CG2-CD1 4.14Å; I323-L334 CarbonylContact C-O 3.58Å; I323-L334 WeakPolarHBondContact CA-O 3.17Å; I323-L335 HydrophobicContact CD1-CD1 4.21Å; I323-L335 HydrophobicContact CG1-CD1 3.89Å; I323-L335 HydrophobicContact CG1-CG 4.2Å
324	L	34.8	Very low	31.2	Very low	65 Å²	65	78 Å²	78	34%	0.34	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.9	171.2	-72.2	163.6	0	0	0	108.3	L334 L336	L324-L334 HydrophobicContact CB-CB 4.04Å; L324-L334 HydrophobicContact CB-CD2 4.27Å; L324-L334 HydrophobicContact CB-CG 4.49Å; L324-L334 HydrophobicContact CD1-CD2 3.66Å; L324-L334 HydrophobicContact CD1-CG 4.42Å; L324-L334 PolarHBondContact N-O 3.27Å; L324-L334 PolarHBondContact O-N 3.32Å; L324-L336 HydrophobicContact CD1-CD1 3.73Å; L324-L336 HydrophobicContact CD1-CG 4.23Å
325	I	35.6	Very low	31.7	Very low	30 Å²	30	71.5 Å²	71.5	15%	0.154	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.3	177.1	-59.5	168.5	0	0	0	109	L2 L225 V238 I323 F333	L2-I325 HydrophobicContact CD1-CB 3.88Å; L2-I325 HydrophobicContact CD1-CG1 4.48Å; L2-I325 VanDerWaalsContact CD1-N 3.29Å; L2-I325 WeakPolarHBondContact CD1-O 3.35Å; L2-I325 HydrophobicContact CD2-CB 3.95Å; L2-I325 HydrophobicContact CD2-CD1 3.51Å; L2-I325 HydrophobicContact CD2-CG1 3.67Å; L2-I325 HydrophobicContact CG-CB 4.31Å; L2-I325 HydrophobicContact CG-CD1 4.5Å; L225-I325 HydrophobicContact CB-CD1 3.5Å; L225-I325 VanDerWaalsContact CB-CD1 3.5Å; L225-I325 HydrophobicContact CD1-CD1 3.31Å; L225-I325 HydrophobicContact CD2-CD1 3.86Å; L225-I325 HydrophobicContact CG-CD1 3.69Å; V238-I325 HydrophobicContact CG2-CD1 4.28Å; V238-I325 HydrophobicContact CG2-CG2 4.35Å; I323-I325 HydrophobicContact CG2-CG1 4.1Å; I325-F333 HydrophobicContact CD1-CD1 4.14Å; I325-F333 HydrophobicContact CD1-CE1 3.84Å; I325-F333 HydrophobicContact CG1-CD1 3.61Å; I325-F333 HydrophobicContact CG1-CE1 3.78Å
326	Q	32.9	Very low	32.1	Very low	42 Å²	42	65.2 Å²	65.2	20%	0.196	36%	0.356	C	S	.	.			trans	-78.7	129.7	171.8	-131.9	-174.6	-68	0	0	110.1	D328 E332	Q326-D328 WeakPolarHBondContact CG-OD1 3.2Å; Q326-D328 PolarHBondContact NE2-OD1 2.78Å; Q326-D328 PolarHBondContact O-N 2.84Å; Q326-E332 PolarHBondContact OE1-OE2 3.37Å
327	S	34	Very low	32.3	Very low	79 Å²	79	63.2 Å²	63.2	55%	0.552	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-10	-178.5	50	0	0	0	0	114.4
328	D	33.1	Very low	32.5	Very low	96 Å²	96	59.8 Å²	59.8	51%	0.513	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	8.5	-168.4	56.2	-21.3	0	0	0	113.9	Q326	Q326-D328 WeakPolarHBondContact CG-OD1 3.2Å; Q326-D328 PolarHBondContact NE2-OD1 2.78Å; Q326-D328 PolarHBondContact O-N 2.84Å
329	S	31.6	Very low	32.5	Very low	26 Å²	26	59 Å²	59	18%	0.182	32%	0.324	C	S	.	.			trans	-136.7	133.3	167.1	96.3	0	0	0	0	110.3	D331 E332	S329-D331 PolarHBondContact O-N 2.87Å; S329-E332 WeakPolarHBondContact OG-CB 3.2Å
330	S	36	Very low	32.5	Very low	57 Å²	57	59 Å²	59	40%	0.399	32%	0.324	S	S	.	.	S	Bend	trans	-74.6	-4	178	53.3	0	0	0	0	113.1	P254	P254-S330 WeakPolarHBondContact CB-O 2.97Å; P254-S330 WeakPolarHBondContact CG-O 3.37Å
331	D	32	Very low	32.4	Very low	97 Å²	97	59.7 Å²	59.7	52%	0.519	34%	0.337	S	S	.	.	S	Bend	trans	-129.1	6.7	-157.2	-61.6	-10.9	0	0	0	114.1	S329	S329-D331 PolarHBondContact O-N 2.87Å
332	E	32.5	Very low	32.1	Very low	39 Å²	39	64.4 Å²	64.4	18%	0.182	36%	0.362	C	S	.	.			trans	-130.9	126.8	-173.5	-59.4	-174.2	159	0	0	113.9	Q326 S329	Q326-E332 PolarHBondContact OE1-OE2 3.37Å; S329-E332 WeakPolarHBondContact OG-CB 3.2Å
333	F	35.1	Very low	31.9	Very low	47 Å²	47	67.2 Å²	67.2	21%	0.206	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.3	175.2	-56.8	-94.1	0	0	0	109.5	L225 A252 P254 I323 I325	L225-F333 HydrophobicContact CD1-CE1 3.88Å; A252-F333 HydrophobicContact CB-CD1 3.99Å; A252-F333 HydrophobicContact CB-CE1 3.72Å; A252-F333 HydrophobicContact CB-CZ 4.13Å; P254-F333 HydrophobicContact CB-CZ 4.34Å; I323-F333 HydrophobicContact CG2-CD1 4.14Å; I325-F333 HydrophobicContact CD1-CD1 4.14Å; I325-F333 HydrophobicContact CD1-CE1 3.84Å; I325-F333 HydrophobicContact CG1-CD1 3.61Å; I325-F333 HydrophobicContact CG1-CE1 3.78Å
334	L	33	Very low	31.4	Very low	53 Å²	53	73.9 Å²	73.9	28%	0.277	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.4	169.4	174.8	72.8	0	0	0	108.6	I323 L324 L336 V353	I323-L334 CarbonylContact C-O 3.58Å; I323-L334 WeakPolarHBondContact CA-O 3.17Å; L324-L334 HydrophobicContact CB-CB 4.04Å; L324-L334 HydrophobicContact CB-CD2 4.27Å; L324-L334 HydrophobicContact CB-CG 4.49Å; L324-L334 HydrophobicContact CD1-CD2 3.66Å; L324-L334 HydrophobicContact CD1-CG 4.42Å; L324-L334 PolarHBondContact N-O 3.27Å; L324-L334 PolarHBondContact O-N 3.32Å; L334-L336 HydrophobicContact CD2-CD2 4.16Å; L334-L336 HydrophobicContact CG-CD2 4.21Å; L334-V353 HydrophobicContact CD1-CB 4.33Å; L334-V353 HydrophobicContact CD1-CG1 4.01Å; L334-V353 HydrophobicContact CD1-CG2 3.99Å
335	L	33.4	Very low	31.1	Very low	41 Å²	41	78 Å²	78	22%	0.215	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.1	173.4	-123.6	105.4	0	0	0	108.8	N321 M322 I323 G337 F354	N321-L335 HydrophobicContact CB-CD2 3.92Å; M322-L335 CarbonylContact O-C 3.6Å; M322-L335 WeakPolarHBondContact O-CA 3.24Å; I323-L335 HydrophobicContact CD1-CD1 4.21Å; I323-L335 HydrophobicContact CG1-CD1 3.89Å; I323-L335 HydrophobicContact CG1-CG 4.2Å; L335-G337 PolarHBondContact O-N 3.27Å; L335-F354 HydrophobicContact CB-CE2 4.36Å
336	L	33.6	Very low	30.7	Very low	48 Å²	48	84.2 Å²	84.2	25%	0.251	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	103.7	168.8	-53.9	171.5	0	0	0	107.9	N321 M322 L324 L334 P351	N321-L336 CarbonylContact C-O 3.53Å; N321-L336 VanDerWaalsContact CA-O 3.3Å; N321-L336 WeakPolarHBondContact CA-O 3.38Å; M322-L336 HydrophobicContact CB-CB 4.09Å; M322-L336 HydrophobicContact CB-CD1 4.34Å; M322-L336 PolarHBondContact N-O 3.43Å; M322-L336 PolarHBondContact O-N 2.78Å; M322-L336 HydrophobicContact SD-CD1 3.85Å; L324-L336 HydrophobicContact CD1-CD1 3.73Å; L324-L336 HydrophobicContact CD1-CG 4.23Å; L334-L336 HydrophobicContact CD2-CD2 4.16Å; L334-L336 HydrophobicContact CG-CD2 4.21Å; L336-P351 HydrophobicContact CD2-CB 3.43Å; L336-P351 VanDerWaalsContact CD2-CB 3.43Å; L336-P351 HydrophobicContact CD2-CG 4.33Å
337	G	30.2	Very low	30.4	Very low	19 Å²	19	90.1 Å²	90.1	20%	0.196	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.5	169.3	0	0	0	0	0	110.3	L335 S339	L335-G337 PolarHBondContact O-N 3.27Å; G337-S339 PolarHBondContact O-N 3.31Å
338	D	28.7	Very low	30.1	Very low	86 Å²	86	94.4 Å²	94.4	46%	0.46	51%	0.514	S	S	.	.			trans	-80.2	102.9	176.1	-145.9	13.9	0	0	0	108.8	N340 N349	D338-N340 PolarHBondContact O-N 2.65Å; D338-N340 VanDerWaalsContact O-N 3.14Å; D338-N349 PolarHBondContact OD1-ND2 2.91Å
339	S	28	Very low	29.9	Very low	53 Å²	53	95.4 Å²	95.4	37%	0.371	52%	0.52	S	S	.	.			trans	-79.1	94.5	176.5	63.2	0	0	0	0	109.7	G337 T341	G337-S339 PolarHBondContact O-N 3.31Å; S339-T341 VanDerWaalsContact C-N 3.31Å; S339-T341 PolarHBondContact O-N 3.31Å; S339-T341 VanDerWaalsContact O-N 3.11Å
340	N	27.1	Very low	29.7	Very low	116 Å²	116	97.5 Å²	97.5	62%	0.62	53%	0.534	S	S	*	.			trans	-85.3	74.9	172.8	-122.7	-16.3	0	0	0	109.9	D338	D338-N340 PolarHBondContact O-N 2.65Å; D338-N340 VanDerWaalsContact O-N 3.14Å
341	T	27.7	Very low	29.4	Very low	111 Å²	111	98.1 Å²	98.1	68%	0.681	54%	0.537	S	S	*	.			trans	-86.7	107.7	161.4	49.4	0	0	0	0	108	S339 D343	S339-T341 VanDerWaalsContact C-N 3.31Å; S339-T341 PolarHBondContact O-N 3.31Å; S339-T341 VanDerWaalsContact O-N 3.11Å; T341-D343 VanDerWaalsContact C-N 3.26Å; T341-D343 PolarHBondContact O-N 3.42Å
342	N	25.8	Very low	29.2	Very low	142 Å²	142	96.9 Å²	96.9	76%	0.759	53%	0.533	S	S	*	.			trans	-59.1	92.1	163.3	-91	-10.2	0	0	0	108.3
343	D	27.5	Very low	29	Very low	148 Å²	148	98.4 Å²	98.4	79%	0.791	55%	0.545	S	S	*	.			trans	-137.2	124.7	158.5	-92	-35.9	0	0	0	108.9	T341	T341-D343 VanDerWaalsContact C-N 3.26Å; T341-D343 PolarHBondContact O-N 3.42Å
344	N	27.6	Very low	28.7	Very low	156 Å²	156	102.6 Å²	102.6	83%	0.834	56%	0.564	S	S	*	*	S	Bend	trans	-56.2	136.5	-179.1	-74.3	-49.1	0	0	0	110.9
345	N	27.6	Very low	28.4	Very low	151 Å²	151	106.9 Å²	106.9	81%	0.807	58%	0.582	S	S	*	*	S	Bend	trans	87.7	117	169.6	-54.3	-38.8	0	0	0	116.6
346	N	28.1	Very low	28.1	Very low	162 Å²	162	107.2 Å²	107.2	87%	0.866	59%	0.588	S	S	*	*			trans	88.5	92.5	172.6	-61.7	-18.9	0	0	0	116.5	Q348	N346-Q348 PolarHBondContact O-N 3.1Å
347	N	25	Very low	27.6	Very low	166 Å²	166	112.4 Å²	112.4	89%	0.888	62%	0.615	S	S	*	*			trans	-50.9	97.3	165.1	-67.8	-16.4	0	0	0	112.3
348	Q	28.9	Very low	27.4	Very low	168 Å²	168	118.9 Å²	118.9	79%	0.785	64%	0.64	S	S	*	*			trans	-147.7	93.4	152.5	-74.5	-159	-13.3	0	0	109.4	N346 S350	N346-Q348 PolarHBondContact O-N 3.1Å; Q348-S350 PolarHBondContact O-N 3.47Å; Q348-S350 PolarHBondContact O-OG 3.41Å
349	N	28.4	Very low	27.2	Very low	118 Å²	118	124.7 Å²	124.7	63%	0.631	67%	0.665	S	S	*	*			trans	-59.9	109.2	161.2	-70.9	21.5	0	0	0	106.7	D338	D338-N349 PolarHBondContact OD1-ND2 2.91Å
350	S	27.5	Very low	27.1	Very low	69 Å²	69	125 Å²	125	48%	0.483	67%	0.667	S	S	.	*			trans	-111.9	130.8	-177.2	26.1	0	0	0	0	109.4	Q348	Q348-S350 PolarHBondContact O-N 3.47Å; Q348-S350 PolarHBondContact O-OG 3.41Å
351	P	29.6	Very low	26.9	Very low	71 Å²	71	128.8 Å²	128.8	46%	0.461	68%	0.678	S	S	.	*	P	Polyproline II helix	trans	-65.1	141.4	175.5	26.9	-33	0	0	0	110.4	L336 V353	L336-P351 HydrophobicContact CD2-CB 3.43Å; L336-P351 VanDerWaalsContact CD2-CB 3.43Å; L336-P351 HydrophobicContact CD2-CG 4.33Å; P351-V353 PolarHBondContact O-N 3.39Å
352	T	27.7	Very low	26.8	Very low	70 Å²	70	132.9 Å²	132.9	43%	0.429	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-82.2	118	175.5	-52.9	0	0	0	0	109	F354	T352-F354 HydrophobicContact CG2-CE2 4.35Å; T352-F354 HydrophobicContact CG2-CZ 4.35Å
353	V	29.1	Very low	26.7	Very low	72 Å²	72	131.5 Å²	131.5	44%	0.436	68%	0.678	S	S	.	*	B	Isolated β-bridge	trans	-103.8	129.2	-178.8	-165.1	0	0	0	0	109.8	L334 P351 H355	L334-V353 HydrophobicContact CD1-CB 4.33Å; L334-V353 HydrophobicContact CD1-CG1 4.01Å; L334-V353 HydrophobicContact CD1-CG2 3.99Å; P351-V353 PolarHBondContact O-N 3.39Å; V353-H355 WeakPolarHBondContact CG1-CE1 2.92Å
354	F	28.2	Very low	26.5	Very low	135 Å²	135	131.5 Å²	131.5	59%	0.592	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-96.3	140.6	168.8	-64.5	-83.4	0	0	0	109.1	L335 T352	L335-F354 HydrophobicContact CB-CE2 4.36Å; T352-F354 HydrophobicContact CG2-CE2 4.35Å; T352-F354 HydrophobicContact CG2-CZ 4.35Å
355	H	27.1	Very low	26.3	Very low	143 Å²	143	129.6 Å²	129.6	66%	0.662	67%	0.674	S	S	*	*			trans	-123.1	135.6	178.3	-65.9	-5.7	0	0	0	109.3	V353	V353-H355 WeakPolarHBondContact CG1-CE1 2.92Å
356	S	26.2	Very low	26.2	Very low	48 Å²	48	125.3 Å²	125.3	34%	0.336	66%	0.655	S	S	.	*			trans	-104.6	141.9	155.4	98.7	0	0	0	0	107.7	H358	S356-H358 PolarHBondContact O-N 2.96Å
357	N	23.1	Very low	26	Very low	156 Å²	156	122.8 Å²	122.8	83%	0.834	64%	0.641	S	S	*	*	S	Bend	trans	-77.5	83.8	-171	-88.5	-22	0	0	0	111.9
358	H	26.7	Very low	26	Very low	156 Å²	156	116.9 Å²	116.9	72%	0.722	61%	0.612	S	S	*	*			trans	-144.9	138.8	159.8	-80.4	-69.3	0	0	0	112.3	S356 S360	S356-H358 PolarHBondContact O-N 2.96Å; H358-S360 PolarHBondContact O-N 2.99Å; H358-S360 VanDerWaalsContact O-N 3.1Å
359	Q	24.3	Very low	25.8	Very low	207 Å²	207	114.7 Å²	114.7	97%	0.967	62%	0.615	S	S	*	*			trans	-70.2	98.7	-176.1	-72.9	175.9	-18.6	0	0	111.3
360	S	25.6	Very low	25.7	Very low	60 Å²	60	115 Å²	115	42%	0.42	62%	0.617	S	S	.	*			trans	-126.8	139.5	178.5	-51	0	0	0	0	111.4	H358	H358-S360 PolarHBondContact O-N 2.99Å; H358-S360 VanDerWaalsContact O-N 3.1Å
361	K	22.5	Very low	25.7	Very low	196 Å²	196	116.5 Å²	116.5	85%	0.852	62%	0.618	S	S	*	*			trans	-73.9	127.5	178.5	-109.4	178.4	176.1	178.4	0	109.7
362	W	27.3	Very low	25.5	Very low	196 Å²	196	118.4 Å²	118.4	74%	0.742	63%	0.628	S	S	*	*			trans	-72.2	128.7	177.9	-59.9	78.4	0	0	0	111.8
363	T	22.4	Very low	25.6	Very low	113 Å²	113	120.1 Å²	120.1	69%	0.693	63%	0.633	S	S	*	*			trans	-110.9	98.3	157.6	-2.9	0	0	0	0	108.3	S365	T363-S365 PolarHBondContact O-N 3.04Å
364	M	24.5	Very low	25.3	Very low	149 Å²	149	125.2 Å²	125.2	73%	0.734	65%	0.649	S	S	*	*			trans	-77.4	109.8	179.3	-168.7	167	75.7	0	0	108.7	C366	M364-C366 HydrophobicContact CE-CB 4.15Å; M364-C366 WeakPolarHBondContact CE-SG 3.45Å; M364-C366 HydrophobicContact CG-CB 4.36Å; M364-C366 PolarHBondContact O-N 3.32Å; M364-C366 PolarHBondContact O-SG 2.98Å; M364-C366 VanDerWaalsContact O-SG 3.4Å
365	S	23.1	Very low	25.2	Very low	115 Å²	115	126.7 Å²	126.7	80%	0.804	66%	0.663	S	S	*	*			trans	-76	85.6	154.2	54.6	0	0	0	0	106.6	T363 L367	T363-S365 PolarHBondContact O-N 3.04Å; S365-L367 PolarHBondContact O-N 3.3Å
366	C	24.2	Very low	25.2	Very low	61 Å²	61	123.3 Å²	123.3	41%	0.412	66%	0.656	S	S	.	*	P	Polyproline II helix	trans	-54	122.3	-178.8	-40.5	0	0	0	0	109.7	M364 P368	M364-C366 HydrophobicContact CE-CB 4.15Å; M364-C366 WeakPolarHBondContact CE-SG 3.45Å; M364-C366 HydrophobicContact CG-CB 4.36Å; M364-C366 PolarHBondContact O-N 3.32Å; M364-C366 PolarHBondContact O-SG 2.98Å; M364-C366 VanDerWaalsContact O-SG 3.4Å; C366-P368 WeakPolarHBondContact O-CD 3.45Å
367	L	25.3	Very low	25.2	Very low	109 Å²	109	129.8 Å²	129.8	57%	0.571	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-65.8	117.2	140.3	-77.7	162.8	0	0	0	104.4	S365 S369 I371	S365-L367 PolarHBondContact O-N 3.3Å; L367-S369 PolarHBondContact O-N 2.9Å; L367-I371 HydrophobicContact CB-CD1 3.99Å; L367-I371 HydrophobicContact CD2-CD1 3.34Å; L367-I371 HydrophobicContact CG-CD1 4.21Å
368	P	23.8	Very low	25.2	Very low	43 Å²	43	126.6 Å²	126.6	28%	0.279	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-57	140.2	178.9	-18.3	29.5	0	0	0	108.4	C366 N370 I371	C366-P368 WeakPolarHBondContact O-CD 3.45Å; P368-N370 PolarHBondContact O-N 3.48Å; P368-I371 PolarHBondContact O-N 2.95Å
369	S	26.2	Very low	25.3	Very low	121 Å²	121	123.5 Å²	123.5	85%	0.846	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	7	171.9	54.1	0	0	0	0	114.4	L367	L367-S369 PolarHBondContact O-N 2.9Å
370	N	25.9	Very low	25.3	Very low	126 Å²	126	121.7 Å²	121.7	67%	0.674	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.6	18.8	-169.1	-54.5	-4.9	0	0	0	112.4	P368 T372	P368-N370 PolarHBondContact O-N 3.48Å; N370-T372 PolarHBondContact O-N 2.93Å
371	I	27.7	Very low	25.3	Very low	99 Å²	99	122.3 Å²	122.3	51%	0.508	67%	0.665	S	S	.	*			trans	-65.4	102.8	171.4	-63.7	171.9	0	0	0	108.1	L367 P368	L367-I371 HydrophobicContact CB-CD1 3.99Å; L367-I371 HydrophobicContact CD2-CD1 3.34Å; L367-I371 HydrophobicContact CG-CD1 4.21Å; P368-I371 PolarHBondContact O-N 2.95Å
372	T	25.7	Very low	25.7	Very low	111 Å²	111	118.4 Å²	118.4	68%	0.681	66%	0.662	S	S	*	*			trans	-92.9	110.7	163.1	20.3	0	0	0	0	106.3	N370 K374	N370-T372 PolarHBondContact O-N 2.93Å; T372-K374 VanDerWaalsContact C-N 3.32Å; T372-K374 PolarHBondContact O-N 3.01Å
373	M	28	Very low	25.8	Very low	107 Å²	107	111.1 Å²	111.1	53%	0.527	64%	0.636	S	S	.	*			trans	-61.2	100.5	163.6	-61.1	-143	88.2	0	0	107.1	Y417	M373-Y417 HydrophobicContact CE-CD1 3.31Å; M373-Y417 HydrophobicContact CE-CE1 3.26Å; M373-Y417 HydrophobicContact CE-CG 4.3Å; M373-Y417 HydrophobicContact SD-CE1 4.43Å
374	K	23.6	Very low	26.4	Very low	178 Å²	178	109.8 Å²	109.8	77%	0.774	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	126.6	170.3	-76.3	-176.7	176.5	176.8	0	107.4	T372	T372-K374 VanDerWaalsContact C-N 3.32Å; T372-K374 PolarHBondContact O-N 3.01Å
375	D	26	Very low	26.9	Very low	167 Å²	167	104.9 Å²	104.9	89%	0.893	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.9	32.6	173.4	-55.6	-31	0	0	0	118.2
376	S	28.1	Very low	27.6	Very low	72 Å²	72	101.9 Å²	101.9	50%	0.503	58%	0.575	S	S	.	*			trans	-85.9	111.5	167.3	61.2	0	0	0	0	111.6
377	Q	24.4	Very low	28.3	Very low	184 Å²	184	99.5 Å²	99.5	86%	0.86	56%	0.557	S	S	*	*			trans	-72.6	131.1	163.7	-77.8	-172.5	-8.7	0	0	109.7	I379	Q377-I379 PolarHBondContact O-N 3.39Å
378	A	24.6	Very low	29	Very low	88 Å²	88	95.9 Å²	95.9	73%	0.727	54%	0.543	S	S	*	.			trans	-61.7	124.7	172.1	0	0	0	0	0	110	N380	A378-N380 PolarHBondContact O-N 3.09Å; A378-N380 VanDerWaalsContact O-N 3.14Å
379	I	27.4	Very low	29.9	Very low	92 Å²	92	94 Å²	94	47%	0.472	53%	0.53	S	S	.	.			trans	-71.8	107.3	174.5	-58.9	172.7	0	0	0	107.5	Q377 S381 F383 L414	Q377-I379 PolarHBondContact O-N 3.39Å; I379-S381 VanDerWaalsContact C-N 3.26Å; I379-S381 PolarHBondContact O-N 3.3Å; I379-F383 HydrophobicContact CG2-CB 4.36Å; I379-L414 HydrophobicContact CD1-CD1 4.12Å; I379-L414 HydrophobicContact CD1-CD2 4.01Å
380	N	24.4	Very low	30.8	Very low	169 Å²	169	90.9 Å²	90.9	90%	0.904	50%	0.502	S	S	*	.			trans	-87.5	22.9	-174.2	-112.8	-8.8	0	0	0	113.8	A378	A378-N380 PolarHBondContact O-N 3.09Å; A378-N380 VanDerWaalsContact O-N 3.14Å
381	S	26.3	Very low	31.4	Very low	72 Å²	72	85.5 Å²	85.5	50%	0.503	47%	0.473	S	S	.	.	S	Bend	trans	-135.2	151.2	-176.9	57.2	0	0	0	0	111.9	I379 F383	I379-S381 VanDerWaalsContact C-N 3.26Å; I379-S381 PolarHBondContact O-N 3.3Å; S381-F383 PolarHBondContact O-N 3.24Å
382	S	29.8	Very low	31.9	Very low	115 Å²	115	81.8 Å²	81.8	80%	0.804	46%	0.459	S	S	*	.			trans	-56	98.6	171.2	49.5	0	0	0	0	109.4
383	F	30.4	Very low	32.5	Very low	42 Å²	42	80.1 Å²	80.1	18%	0.184	44%	0.442	C	S	.	.			trans	-101.9	127.1	-177.5	173.9	-106.6	0	0	0	108.6	N318 I379 S381 L385 L414	N318-F383 PolarHBondContact ND2-O 3.43Å; I379-F383 HydrophobicContact CG2-CB 4.36Å; S381-F383 PolarHBondContact O-N 3.24Å; F383-L385 HydrophobicContact CD1-CB 4.47Å; F383-L385 VanDerWaalsContact CE1-CA 3.45Å; F383-L385 HydrophobicContact CE1-CB 3.68Å; F383-L385 HydrophobicContact CE1-CD1 3.74Å; F383-L385 HydrophobicContact CE1-CG 4.36Å; F383-L385 HydrophobicContact CZ-CB 4.28Å; F383-L385 HydrophobicContact CZ-CD1 3.93Å; F383-L414 HydrophobicContact CD2-CD1 3.58Å; F383-L414 HydrophobicContact CE1-CD1 4.17Å; F383-L414 HydrophobicContact CE2-CD1 2.89Å; F383-L414 HydrophobicContact CE2-CG 4.31Å; F383-L414 HydrophobicContact CG-CD1 4.43Å; F383-L414 HydrophobicContact CZ-CD1 3.26Å
384	N	34.2	Very low	32.9	Very low	85 Å²	85	79 Å²	79	46%	0.455	44%	0.438	S	S	.	.			trans	-101.8	111.8	166.2	-79.5	-18	0	0	0	107.5	Q386 G408 S409	N384-Q386 PolarHBondContact O-N 3Å; N384-G408 WeakPolarHBondContact O-CA 3.39Å; N384-S409 PolarHBondContact O-N 3.03Å
385	L	35.6	Very low	33.5	Very low	47 Å²	47	75.4 Å²	75.4	25%	0.246	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	124.6	170.2	-175.5	79.2	0	0	0	108.4	N318 F320 F383 Y387 A388 M406	N318-L385 PolarHBondContact ND2-N 3.39Å; F320-L385 HydrophobicContact CD1-CD2 4.18Å; F320-L385 HydrophobicContact CE1-CD1 4.38Å; F320-L385 HydrophobicContact CE1-CD2 3.19Å; F320-L385 HydrophobicContact CE1-CG 4.26Å; F320-L385 HydrophobicContact CE2-CD2 4.23Å; F320-L385 HydrophobicContact CZ-CB 4.06Å; F320-L385 HydrophobicContact CZ-CD1 3.92Å; F320-L385 HydrophobicContact CZ-CD2 3.21Å; F320-L385 HydrophobicContact CZ-CG 3.88Å; F383-L385 HydrophobicContact CD1-CB 4.47Å; F383-L385 VanDerWaalsContact CE1-CA 3.45Å; F383-L385 HydrophobicContact CE1-CB 3.68Å; F383-L385 HydrophobicContact CE1-CD1 3.74Å; F383-L385 HydrophobicContact CE1-CG 4.36Å; F383-L385 HydrophobicContact CZ-CB 4.28Å; F383-L385 HydrophobicContact CZ-CD1 3.93Å; L385-Y387 WeakPolarHBondContact CD1-O 3.49Å; L385-A388 HydrophobicContact CD2-CB 4.19Å; L385-M406 HydrophobicContact CD1-CB 3.75Å; L385-M406 HydrophobicContact CD1-CE 3.44Å; L385-M406 VanDerWaalsContact CD1-CE 3.44Å; L385-M406 HydrophobicContact CD1-CG 4.12Å
386	Q	37.1	Very low	34	Very low	52 Å²	52	73.2 Å²	73.2	24%	0.243	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-31	174.1	-73.3	-173.9	-25.6	0	0	112.4	L8 N384 V407 G408	L8-Q386 WeakPolarHBondContact CD1-O 3.4Å; L8-Q386 WeakPolarHBondContact CD2-O 3.37Å; N384-Q386 PolarHBondContact O-N 3Å; Q386-V407 WeakPolarHBondContact CA-O 3.4Å; Q386-V407 PolarHBondContact N-O 3.17Å; Q386-G408 PolarHBondContact OE1-O 3.43Å
387	Y	39.5	Very low	34.5	Very low	11 Å²	11	77.4 Å²	77.4	4%	0.043	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	139.6	-175.2	-172.8	-156.7	0	0	0	110.6	L8 V18 L385 D389 F405 M406 V407	L8-Y387 HydrophobicContact CD1-CD2 3.27Å; L8-Y387 HydrophobicContact CD1-CE2 4.13Å; L8-Y387 HydrophobicContact CD1-CG 3.84Å; V18-Y387 HydrophobicContact CB-CE1 4.05Å; V18-Y387 HydrophobicContact CG1-CD1 4.29Å; V18-Y387 HydrophobicContact CG1-CE1 3.5Å; L385-Y387 WeakPolarHBondContact CD1-O 3.49Å; Y387-D389 HydrophobicContact CE2-CB 3.94Å; Y387-F405 AromaticContact CD1-CD2 3.9Å; Y387-F405 HydrophobicContact CD1-CD2 3.9Å; Y387-F405 AromaticContact CD1-CE2 3.26Å; Y387-F405 HydrophobicContact CD1-CE2 3.26Å; Y387-F405 HydrophobicContact CD1-CZ 4.2Å; Y387-F405 AromaticContact CD2-CE2 3.96Å; Y387-F405 HydrophobicContact CD2-CE2 3.96Å; Y387-F405 AromaticContact CE1-CD2 3.84Å; Y387-F405 HydrophobicContact CE1-CD2 3.84Å; Y387-F405 AromaticContact CE1-CE2 2.89Å; Y387-F405 HydrophobicContact CE1-CE2 2.89Å; Y387-F405 AromaticContact CE1-CZ 3.4Å; Y387-F405 HydrophobicContact CE1-CZ 3.4Å; Y387-F405 AromaticContact CE2-CE2 3.69Å; Y387-F405 HydrophobicContact CE2-CE2 3.69Å; Y387-F405 AromaticContact CE2-CZ 3.93Å; Y387-F405 HydrophobicContact CE2-CZ 3.93Å; Y387-F405 AromaticContact CG-CE2 3.8Å; Y387-F405 HydrophobicContact CG-CE2 3.8Å; Y387-F405 AromaticContact CZ-CE2 3.15Å; Y387-F405 AromaticContact CZ-CZ 3.24Å; Y387-F405 WeakPolarHBondContact OH-CZ 3.4Å; Y387-M406 CarbonylContact O-C 3.53Å; Y387-M406 WeakPolarHBondContact O-CA 3.14Å; Y387-V407 HydrophobicContact CD1-CB 4.16Å; Y387-V407 HydrophobicContact CD1-CG2 3.62Å; Y387-V407 HydrophobicContact CG-CB 4.49Å; Y387-V407 HydrophobicContact CG-CG2 4.36Å; Y387-V407 PolarHBondContact N-O 3.3Å; Y387-V407 PolarHBondContact O-N 3.47Å
388	A	39.9	Very low	35.1	Very low	33 Å²	33	76.9 Å²	76.9	27%	0.273	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	135.2	159.6	0	0	0	0	0	109	L385 F405 M406	L385-A388 HydrophobicContact CD2-CB 4.19Å; A388-F405 WeakPolarHBondContact CA-O 3.44Å; A388-M406 HydrophobicContact CB-CG 4.11Å
389	D	43.2	Very low	35.5	Very low	2 Å²	2	74 Å²	74	1%	0.011	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	163.6	172.5	-148.1	-40	0	0	0	109.9	S6 H20 Y387 C404 F405	S6-D389 PolarHBondContact N-OD2 2.96Å; H20-D389 IonicContact NE2-OD2 3.33Å; H20-D389 PolarHBondContact NE2-OD2 3.39Å; Y387-D389 HydrophobicContact CE2-CB 3.94Å; D389-C404 WeakPolarHBondContact O-CA 3.36Å; D389-F405 HydrophobicContact CB-CD1 4.43Å; D389-F405 HydrophobicContact CB-CE1 3.46Å; D389-F405 VanDerWaalsContact CB-CE1 3.46Å; D389-F405 HydrophobicContact CB-CE2 3.67Å; D389-F405 HydrophobicContact CB-CZ 3.03Å; D389-F405 PolarHBondContact N-O 3.49Å; D389-F405 WeakPolarHBondContact O-CD1 3.3Å; D389-F405 PolarHBondContact O-N 2.92Å
390	F	44.3	Very low	35.8	Very low	57 Å²	57	72.9 Å²	72.9	25%	0.25	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	110.7	176.1	-68	-87.1	0	0	0	109.5	G392 C404	F390-G392 PolarHBondContact O-N 3.39Å; F390-C404 HydrophobicContact CD1-CB 4.21Å; F390-C404 HydrophobicContact CE1-CB 4.18Å
391	L	39.2	Very low	36.3	Very low	12 Å²	12	67.2 Å²	67.2	6%	0.063	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	82.2	172.7	-85.2	152	0	0	0	110.1	H20 I26 L39 L403 F405	H20-L391 HydrophobicContact CB-CD2 4.45Å; I26-L391 HydrophobicContact CD1-CD1 4.4Å; L39-L391 HydrophobicContact CD1-CD1 3.28Å; L39-L391 HydrophobicContact CD1-CD2 3.93Å; L39-L391 HydrophobicContact CD1-CG 4.22Å; L39-L391 HydrophobicContact CD2-CD1 3.8Å; L39-L391 HydrophobicContact CG-CD1 4.14Å; L391-L403 HydrophobicContact CB-CB 4.3Å; L391-L403 HydrophobicContact CB-CD2 4.29Å; L391-L403 HydrophobicContact CD1-CD2 4.41Å; L391-L403 PolarHBondContact N-O 3.38Å; L391-F405 HydrophobicContact CD1-CD1 3.31Å; L391-F405 HydrophobicContact CD1-CE1 3.18Å; L391-F405 HydrophobicContact CD1-CG 4.46Å; L391-F405 HydrophobicContact CD1-CZ 4.35Å; L391-F405 HydrophobicContact CG-CD1 4.08Å; L391-F405 HydrophobicContact CG-CE1 3.64Å
392	G	38.1	Very low	36.8	Very low	22 Å²	22	65.7 Å²	65.7	23%	0.227	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	53.4	-162.1	157.8	0	0	0	0	0	116.6	F390	F390-G392 PolarHBondContact O-N 3.39Å
393	K	38.9	Very low	37	Very low	76 Å²	76	61.7 Å²	61.7	33%	0.33	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	111.9	-168.7	-169.5	175.5	-177.4	172.3	0	108.2	M1 D230 M400 K401	M1-K393 HydrophobicContact CE-CD 3.84Å; M1-K393 HydrophobicContact CE-CG 4.19Å; M1-K393 HydrophobicContact SD-CB 4.49Å; M1-K393 HydrophobicContact SD-CD 3.83Å; M1-K393 HydrophobicContact SD-CG 4.25Å; D230-K393 IonicContact OD1-NZ 2.72Å; D230-K393 PolarHBondContact OD1-NZ 3.12Å; K393-M400 HydrophobicContact CD-SD 4.04Å; K393-M400 WeakPolarHBondContact CE-SD 3.42Å; K393-M400 HydrophobicContact CG-SD 4.03Å; K393-K401 WeakPolarHBondContact CA-O 3.3Å
394	L	35.6	Very low	37.3	Very low	84 Å²	84	60.4 Å²	60.4	44%	0.44	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	110.4	167.9	-99.4	140.3	0	0	0	107.8	K401	L394-K401 HydrophobicContact CB-CB 3.93Å; L394-K401 PolarHBondContact N-O 3.05Å; L394-K401 WeakPolarHBondContact O-CB 3.38Å; L394-K401 PolarHBondContact O-N 3.07Å; L394-K401 VanDerWaalsContact O-N 3.08Å
395	T	36.6	Very low	37.5	Very low	102 Å²	102	56.5 Å²	56.5	63%	0.626	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	100.2	168	41	0	0	0	0	109.2	M400	T395-M400 HydrophobicContact CG2-CE 4.42Å; T395-M400 HydrophobicContact CG2-SD 3.66Å
396	E	35.7	Very low	37.6	Very low	120 Å²	120	55.7 Å²	55.7	56%	0.561	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.2	161	-79.7	-172.3	155	0	0	108.2	A399	E396-A399 PolarHBondContact O-N 3.28Å
397	D	40	Very low	37.8	Very low	160 Å²	160	53.9 Å²	53.9	86%	0.856	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	64	170.8	-65.6	-21.3	0	0	0	116.5	A399	D397-A399 PolarHBondContact O-N 3.14Å
398	N	36.2	Very low	37.6	Very low	174 Å²	174	53.4 Å²	53.4	93%	0.93	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	6.3	174.2	-76	-16.7	0	0	0	116.2
399	A	33.7	Very low	37.4	Very low	26 Å²	26	54.1 Å²	54.1	22%	0.215	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.6	174.6	0	0	0	0	0	109	E396 D397 K401	E396-A399 PolarHBondContact O-N 3.28Å; D397-A399 PolarHBondContact O-N 3.14Å; A399-K401 PolarHBondContact O-N 3.4Å
400	M	33	Very low	37	Very low	69 Å²	69	61.1 Å²	61.1	34%	0.34	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	120.5	165.6	-62.5	-61.3	-165.1	0	0	107.6	K393 T395 L421	K393-M400 HydrophobicContact CD-SD 4.04Å; K393-M400 WeakPolarHBondContact CE-SD 3.42Å; K393-M400 HydrophobicContact CG-SD 4.03Å; T395-M400 HydrophobicContact CG2-CE 4.42Å; T395-M400 HydrophobicContact CG2-SD 3.66Å; M400-L421 HydrophobicContact CB-CB 4.15Å; M400-L421 HydrophobicContact CB-CD1 3.88Å; M400-L421 PolarHBondContact O-N 3.11Å
401	K	35.7	Very low	36.8	Very low	50 Å²	50	60.4 Å²	60.4	22%	0.217	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.4	175.9	-55.3	179.1	-174.9	-155.2	0	108.8	K393 L394 A399 E418 I419	K393-K401 WeakPolarHBondContact CA-O 3.3Å; L394-K401 HydrophobicContact CB-CB 3.93Å; L394-K401 PolarHBondContact N-O 3.05Å; L394-K401 WeakPolarHBondContact O-CB 3.38Å; L394-K401 PolarHBondContact O-N 3.07Å; L394-K401 VanDerWaalsContact O-N 3.08Å; A399-K401 PolarHBondContact O-N 3.4Å; K401-E418 HydrophobicContact CB-CG 4.43Å; K401-E418 HydrophobicContact CD-CG 4.08Å; K401-E418 WeakPolarHBondContact CD-OE1 3.42Å; K401-E418 WeakPolarHBondContact CE-OE1 3.43Å; K401-E418 HydrophobicContact CG-CG 4.16Å; K401-E418 IonicContact NZ-OE1 3.37Å; K401-E418 PolarHBondContact NZ-OE1 2.96Å; K401-I419 WeakPolarHBondContact CA-O 3.48Å
402	Q	36.3	Very low	36.4	Very low	40 Å²	40	63.1 Å²	63.1	19%	0.187	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.3	166.7	-72.8	-179.8	-17.8	0	0	109.1	M1 I419	M1-Q402 HydrophobicContact SD-CG 4.43Å; M1-Q402 PolarHBondContact SD-NE2 2.61Å; Q402-I419 HydrophobicContact CB-CB 4.24Å; Q402-I419 HydrophobicContact CB-CD1 4.3Å; Q402-I419 PolarHBondContact N-O 2.74Å; Q402-I419 PolarHBondContact O-N 3.36Å
403	L	33.8	Very low	36.4	Very low	31 Å²	31	64.5 Å²	64.5	16%	0.162	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113.3	177.7	-159.9	80.2	0	0	0	108.9	L39 L391	L39-L403 HydrophobicContact CD2-CD2 4.35Å; L391-L403 HydrophobicContact CB-CB 4.3Å; L391-L403 HydrophobicContact CB-CD2 4.29Å; L391-L403 HydrophobicContact CD1-CD2 4.41Å; L391-L403 PolarHBondContact N-O 3.38Å
404	C	37.1	Very low	36.1	Very low	16 Å²	16	63.9 Å²	63.9	11%	0.108	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.5	167.8	-176.2	0	0	0	0	108	D389 F390 S416 Y417	D389-C404 WeakPolarHBondContact O-CA 3.36Å; F390-C404 HydrophobicContact CD1-CB 4.21Å; F390-C404 HydrophobicContact CE1-CB 4.18Å; C404-S416 WeakPolarHBondContact O-CA 3.42Å; C404-Y417 HydrophobicContact CB-CD2 4.42Å; C404-Y417 PolarHBondContact O-N 3.39Å
405	F	37.6	Very low	35.9	Very low	3 Å²	3	61.2 Å²	61.2	1%	0.013	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	151.8	170.6	63.3	-88.8	0	0	0	110.2	I26 Y387 A388 D389 L391 V407 C415	I26-F405 HydrophobicContact CD1-CE1 4.47Å; I26-F405 HydrophobicContact CD1-CZ 4.47Å; Y387-F405 AromaticContact CD1-CD2 3.9Å; Y387-F405 HydrophobicContact CD1-CD2 3.9Å; Y387-F405 AromaticContact CD1-CE2 3.26Å; Y387-F405 HydrophobicContact CD1-CE2 3.26Å; Y387-F405 HydrophobicContact CD1-CZ 4.2Å; Y387-F405 AromaticContact CD2-CE2 3.96Å; Y387-F405 HydrophobicContact CD2-CE2 3.96Å; Y387-F405 AromaticContact CE1-CD2 3.84Å; Y387-F405 HydrophobicContact CE1-CD2 3.84Å; Y387-F405 AromaticContact CE1-CE2 2.89Å; Y387-F405 HydrophobicContact CE1-CE2 2.89Å; Y387-F405 AromaticContact CE1-CZ 3.4Å; Y387-F405 HydrophobicContact CE1-CZ 3.4Å; Y387-F405 AromaticContact CE2-CE2 3.69Å; Y387-F405 HydrophobicContact CE2-CE2 3.69Å; Y387-F405 AromaticContact CE2-CZ 3.93Å; Y387-F405 HydrophobicContact CE2-CZ 3.93Å; Y387-F405 AromaticContact CG-CE2 3.8Å; Y387-F405 HydrophobicContact CG-CE2 3.8Å; Y387-F405 AromaticContact CZ-CE2 3.15Å; Y387-F405 AromaticContact CZ-CZ 3.24Å; Y387-F405 WeakPolarHBondContact OH-CZ 3.4Å; A388-F405 WeakPolarHBondContact CA-O 3.44Å; D389-F405 HydrophobicContact CB-CD1 4.43Å; D389-F405 HydrophobicContact CB-CE1 3.46Å; D389-F405 VanDerWaalsContact CB-CE1 3.46Å; D389-F405 HydrophobicContact CB-CE2 3.67Å; D389-F405 HydrophobicContact CB-CZ 3.03Å; D389-F405 PolarHBondContact N-O 3.49Å; D389-F405 WeakPolarHBondContact O-CD1 3.3Å; D389-F405 PolarHBondContact O-N 2.92Å; L391-F405 HydrophobicContact CD1-CD1 3.31Å; L391-F405 HydrophobicContact CD1-CE1 3.18Å; L391-F405 HydrophobicContact CD1-CG 4.46Å; L391-F405 HydrophobicContact CD1-CZ 4.35Å; L391-F405 HydrophobicContact CG-CD1 4.08Å; L391-F405 HydrophobicContact CG-CE1 3.64Å; F405-V407 HydrophobicContact CD2-CG2 4.49Å; F405-C415 WeakPolarHBondContact CA-O 3.48Å
406	M	39.1	Very low	35.7	Very low	30 Å²	30	59.3 Å²	59.3	15%	0.148	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.3	179.6	-63.5	172.5	67.5	0	0	109	F320 L385 Y387 A388 L414 Y417	F320-M406 HydrophobicContact CE1-CE 3.73Å; F320-M406 HydrophobicContact CE2-CE 4.28Å; F320-M406 HydrophobicContact CZ-CE 3.28Å; L385-M406 HydrophobicContact CD1-CB 3.75Å; L385-M406 HydrophobicContact CD1-CE 3.44Å; L385-M406 VanDerWaalsContact CD1-CE 3.44Å; L385-M406 HydrophobicContact CD1-CG 4.12Å; Y387-M406 CarbonylContact O-C 3.53Å; Y387-M406 WeakPolarHBondContact O-CA 3.14Å; A388-M406 HydrophobicContact CB-CG 4.11Å; M406-L414 PolarHBondContact O-N 2.71Å; M406-Y417 HydrophobicContact SD-CE2 3.79Å
407	V	40.6	Very low	35.5	Very low	14 Å²	14	57.2 Å²	57.2	9%	0.085	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.5	173.9	-172.1	0	0	0	0	109.7	Q386 Y387 F405 V413	Q386-V407 WeakPolarHBondContact CA-O 3.4Å; Q386-V407 PolarHBondContact N-O 3.17Å; Y387-V407 HydrophobicContact CD1-CB 4.16Å; Y387-V407 HydrophobicContact CD1-CG2 3.62Å; Y387-V407 HydrophobicContact CG-CB 4.49Å; Y387-V407 HydrophobicContact CG-CG2 4.36Å; Y387-V407 PolarHBondContact N-O 3.3Å; Y387-V407 PolarHBondContact O-N 3.47Å; F405-V407 HydrophobicContact CD2-CG2 4.49Å; V407-V413 HydrophobicContact CG2-CG2 4.19Å
408	G	35.1	Very low	35.1	Very low	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	168.2	177.9	0	0	0	0	0	115.8	N384 Q386 Q410 S411 T412	N384-G408 WeakPolarHBondContact O-CA 3.39Å; Q386-G408 PolarHBondContact OE1-O 3.43Å; G408-Q410 PolarHBondContact O-N 3.41Å; G408-S411 PolarHBondContact O-N 3.24Å; G408-T412 PolarHBondContact N-O 2.76Å
409	S	35.7	Very low	35	Very low	49 Å²	49	49.1 Å²	49.1	34%	0.343	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-1	170.4	68.4	0	0	0	0	117.1	N384	N384-S409 PolarHBondContact O-N 3.03Å
410	Q	34.8	Very low	34.8	Very low	149 Å²	149	51.4 Å²	51.4	70%	0.696	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	21.4	175	-64.8	-172.3	-8.6	0	0	112.6	G408 T412	G408-Q410 PolarHBondContact O-N 3.41Å; Q410-T412 PolarHBondContact O-N 3.28Å
411	S	40.9	Very low	34.6	Very low	42 Å²	42	50.8 Å²	50.8	29%	0.294	28%	0.278	S	S	.	.	S	Bend	trans	62.1	21.7	176	-48.8	0	0	0	0	115	I16 R30 G408	I16-S411 WeakPolarHBondContact CD1-OG 3.26Å; R30-S411 PolarHBondContact NH2-O 2.65Å; G408-S411 PolarHBondContact O-N 3.24Å
412	T	31.1	Very low	34.2	Very low	68 Å²	68	52.9 Å²	52.9	42%	0.417	30%	0.299	S	S	.	.			trans	-99.7	119.5	176.5	2.4	0	0	0	0	109.6	G408 Q410 L414	G408-T412 PolarHBondContact N-O 2.76Å; Q410-T412 PolarHBondContact O-N 3.28Å; T412-L414 PolarHBondContact O-N 3.1Å; T412-L414 VanDerWaalsContact O-N 3.14Å
413	V	36.5	Very low	33.9	Very low	52 Å²	52	60.5 Å²	60.5	32%	0.315	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	107	154.9	179	0	0	0	0	105.2	L37 V407	L37-V413 HydrophobicContact CD2-CG2 4.2Å; V407-V413 HydrophobicContact CG2-CG2 4.19Å
414	L	33.5	Very low	33.9	Very low	63 Å²	63	62 Å²	62	33%	0.33	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-27.4	-166.6	-95.3	161	0	0	0	113.8	I379 F383 M406 T412	I379-L414 HydrophobicContact CD1-CD1 4.12Å; I379-L414 HydrophobicContact CD1-CD2 4.01Å; F383-L414 HydrophobicContact CD2-CD1 3.58Å; F383-L414 HydrophobicContact CE1-CD1 4.17Å; F383-L414 HydrophobicContact CE2-CD1 2.89Å; F383-L414 HydrophobicContact CE2-CG 4.31Å; F383-L414 HydrophobicContact CG-CD1 4.43Å; F383-L414 HydrophobicContact CZ-CD1 3.26Å; M406-L414 PolarHBondContact O-N 2.71Å; T412-L414 PolarHBondContact O-N 3.1Å; T412-L414 VanDerWaalsContact O-N 3.14Å
415	C	31.6	Very low	33.7	Very low	28 Å²	28	64.4 Å²	64.4	19%	0.189	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	143.4	-173.6	44.7	0	0	0	0	109.7	F405 Y417	F405-C415 WeakPolarHBondContact CA-O 3.48Å; C415-Y417 HydrophobicContact CB-CD2 4.45Å; C415-Y417 HydrophobicContact CB-CE1 4.22Å; C415-Y417 HydrophobicContact CB-CE2 3.97Å; C415-Y417 WeakPolarHBondContact SG-CE2 3.34Å; C415-Y417 PolarHBondContact SG-OH 3.3Å; C415-Y417 VanDerWaalsContact SG-OH 3.37Å
416	S	31.5	Very low	33.5	Very low	62 Å²	62	67.8 Å²	67.8	43%	0.434	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.9	152	54.2	0	0	0	0	106.6	C404	C404-S416 WeakPolarHBondContact O-CA 3.42Å
417	Y	31.6	Very low	33.2	Very low	76 Å²	76	70.1 Å²	70.1	30%	0.298	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.7	170.4	-64	-70.9	0	0	0	109.5	M373 C404 M406 C415	M373-Y417 HydrophobicContact CE-CD1 3.31Å; M373-Y417 HydrophobicContact CE-CE1 3.26Å; M373-Y417 HydrophobicContact CE-CG 4.3Å; M373-Y417 HydrophobicContact SD-CE1 4.43Å; C404-Y417 HydrophobicContact CB-CD2 4.42Å; C404-Y417 PolarHBondContact O-N 3.39Å; M406-Y417 HydrophobicContact SD-CE2 3.79Å; C415-Y417 HydrophobicContact CB-CD2 4.45Å; C415-Y417 HydrophobicContact CB-CE1 4.22Å; C415-Y417 HydrophobicContact CB-CE2 3.97Å; C415-Y417 WeakPolarHBondContact SG-CE2 3.34Å; C415-Y417 PolarHBondContact SG-OH 3.3Å; C415-Y417 VanDerWaalsContact SG-OH 3.37Å
418	E	31.5	Very low	32.7	Very low	117 Å²	117	73.6 Å²	73.6	55%	0.547	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	104.7	164.6	-177.2	176.6	-178.7	0	0	107.4	K401 S420	K401-E418 HydrophobicContact CB-CG 4.43Å; K401-E418 HydrophobicContact CD-CG 4.08Å; K401-E418 WeakPolarHBondContact CD-OE1 3.42Å; K401-E418 WeakPolarHBondContact CE-OE1 3.43Å; K401-E418 HydrophobicContact CG-CG 4.16Å; K401-E418 IonicContact NZ-OE1 3.37Å; K401-E418 PolarHBondContact NZ-OE1 2.96Å; E418-S420 PolarHBondContact O-N 3.04Å
419	I	34.1	Very low	32.6	Very low	47 Å²	47	78.5 Å²	78.5	24%	0.241	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	98.8	171.6	-55.9	176.2	0	0	0	107.3	K401 Q402 L421	K401-I419 WeakPolarHBondContact CA-O 3.48Å; Q402-I419 HydrophobicContact CB-CB 4.24Å; Q402-I419 HydrophobicContact CB-CD1 4.3Å; Q402-I419 PolarHBondContact N-O 2.74Å; Q402-I419 PolarHBondContact O-N 3.36Å; I419-L421 PolarHBondContact O-N 2.87Å
420	S	29	Very low	32.4	Very low	74 Å²	74	80.6 Å²	80.6	52%	0.517	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	109.6	171.4	-51	0	0	0	0	109.6	E418 S422	E418-S420 PolarHBondContact O-N 3.04Å; S420-S422 PolarHBondContact O-N 3.01Å
421	L	30.7	Very low	32.2	Very low	56 Å²	56	75.3 Å²	75.3	29%	0.293	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	111	167.6	-70.7	149.2	0	0	0	108.3	M1 M400 I419	M1-L421 HydrophobicContact CE-CD1 4.18Å; M400-L421 HydrophobicContact CB-CB 4.15Å; M400-L421 HydrophobicContact CB-CD1 3.88Å; M400-L421 PolarHBondContact O-N 3.11Å; I419-L421 PolarHBondContact O-N 2.87Å
422	S	26	Very low	31.4	Very low	94 Å²	94	78.1 Å²	78.1	66%	0.657	46%	0.455	S	S	*	.			trans	-72.1	125.3	162.9	61.5	0	0	0	0	108.4	S420	S420-S422 PolarHBondContact O-N 3.01Å
423	T	30.2	Very low	31.5	Very low	200 Å²	200	79 Å²	79	100%	1.227	46%	0.459	S	S	*	.			trans	-54.2	0	169.1	51.2	0	0	0	0	112.7

Retrieved 423 of 423 residues in 456.2 ms (Link to these results)

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